0 B12R0.5 C#CCCCCCCCCCOC 34a_100000034437_200000210301 [0,0,0,0,0,0|2,0,1]=3 1 B12R0.5 C#CCCCCCCCCCOC 7a_100000034437_200000210301 [0,0,0,0,0,0|2,0,1]=3 2 B12R0.5 C#CCCCCCCCCCO[13CH3] 34a_100000034437_200025704644 [0,0,0,0,0,0|2,0,1]=3 3 B12R0.5 C#CCCCCCCCCCO[13CH3] 7a_100000034437_200025704644 [0,0,0,0,0,0|2,0,1]=3 4 B12R0.5 C#CCCCCCCCCOCC 34a_100000065265_100000210202 [0,0,0,0,0,0|2,0,1]=3 5 B12R0.5 C#CCCCCCCCCOCC 7a_100000065265_100000210202 [0,0,0,0,0,0|2,0,1]=3 6 B12R0.5 C#CCCCCCCCCOCF 34a_100000065265_100015361967 [0,0,0,0,0,0|3,0,1]=4 7 B12R0.5 C#CCCCCCCCCOCF 7a_100000065265_100015361967 [0,0,0,0,0,0|3,0,1]=4 8 B12R0.5 C#CCCCCCCCNCC=C 2230a_100020586998_100153394163 [0,0,0,0,0,0|2,0,2]=4 9 B12R0.5 C#CCCCCCCCNCCF 34a_100000724931_100153394163 [0,0,0,0,0,0|3,0,1]=4 10 B12R0.5 C#CCCCCCCCNCCO 2230a_100016997473_100153394163 [0,0,0,0,0,0|3,0,1]=4 11 B12R0.5 C#CCCCCCCCNCCO 34a_100016990907_100153394163 [0,0,0,0,0,0|3,0,1]=4 12 B12R0.5 C#CCCCCCCCOCC=C 34a_100000054614_100015514636 [0,0,0,0,0,0|2,0,2]=4 13 B12R0.5 C#CCCCCCCCOCC=C 34a_200000210373_100153394163 [0,0,0,0,0,0|2,0,2]=4 14 B12R0.5 C#CCCCCCCCOCC=C 7a_100000054614_100015514636 [0,0,0,0,0,0|2,0,2]=4 15 B12R0.5 C#CCCCCCCCOCC=O 34a_100000054614_200009817547 [0,0,0,0,0,0|1,0,2]=3 16 B12R0.5 C#CCCCCCCCOCC=O 7a_100000054614_200015260668 [0,0,0,0,0,0|1,0,2]=3 17 B12R0.5 C#CCCCCCCCOCCBr 34a_100000211926_100153394163 [0,0,0,0,0,0|3,0,1]=4 18 B12R0.5 C#CCCCCCCCOCCC 34a_100000054614_100000210303 [0,0,0,0,0,0|2,0,1]=3 19 B12R0.5 C#CCCCCCCCOCCC 34a_100000210258_100153394163 [0,0,0,0,0,0|2,0,1]=3 20 B12R0.5 C#CCCCCCCCOCCC 7a_100000054614_100000210303 [0,0,0,0,0,0|2,0,1]=3 21 B12R0.5 C#CCCCCCCCOCCF 34a_100000054614_100011217306 [0,0,0,0,0,0|3,0,1]=4 22 B12R0.5 C#CCCCCCCCOCCF 7a_100000054614_100011217306 [0,0,0,0,0,0|3,0,1]=4 23 B12R0.5 C#CCCCCCCCOCCN 34a_100000210304_100153394163 [0,0,0,0,0,0|3,0,1]=4 24 B12R0.5 C#CCCCCCCCOCCO 34a_100000054614_100000211926 [0,0,0,0,0,0|3,0,1]=4 25 B12R0.5 C#CCCCCCCCOCCO 7a_100000054614_100000211926 [0,0,0,0,0,0|3,0,1]=4 26 B12R0.5 C#CCCCCCCCOCSC 34a_100000054614_100011218213 [0,0,0,0,0,0|3,0,1]=4 27 B12R0.5 C#CCCCCCCCSCC=C 62a_100000210623_100153394163 [0,0,0,0,0,0|2,0,2]=4 28 B12R0.5 C#CCCCCCCCSCC=C 62a_100153394163_100000210623 [0,0,0,0,0,0|2,0,2]=4 29 B12R0.5 C#CCCCCCCCSCC=O 62a_100153394163_200015260668 [0,0,0,0,0,0|1,0,2]=3 30 B12R0.5 C#CCCCCCCCSCC=O 62a_200015260668_100153394163 [0,0,0,0,0,0|1,0,2]=3 31 B12R0.5 C#CCCCCCCCSCCC 62a_100000210303_100153394163 [0,0,0,0,0,0|2,0,1]=3 32 B12R0.5 C#CCCCCCCCSCCC 62a_100153394163_100000210303 [0,0,0,0,0,0|2,0,1]=3 33 B12R0.5 C#CCCCCCCCSCCF 62a_100011217306_100153394163 [0,0,0,0,0,0|3,0,1]=4 34 B12R0.5 C#CCCCCCCCSCCF 62a_100153394163_100011217306 [0,0,0,0,0,0|3,0,1]=4 35 B12R0.5 C#CCCCCCCCSCCO 62a_100000211926_100153394163 [0,0,0,0,0,0|3,0,1]=4 36 B12R0.5 C#CCCCCCCCSCCO 62a_100153394163_100000211926 [0,0,0,0,0,0|3,0,1]=4 37 B12R0.5 C#CCCCCCCCSCOC 62a_100000766300_100153394163 [0,0,0,0,0,0|3,0,1]=4 38 B12R0.5 C#CCCCCCCCSCOC 62a_100153394163_100000766300 [0,0,0,0,0,0|3,0,1]=4 39 B12R0.5 C#CCCCCCCCSCSC 62a_100011218213_100153394163 [0,0,0,0,0,0|3,0,1]=4 40 B12R0.5 C#CCCCCCCCSCSC 62a_100153394163_100011218213 [0,0,0,0,0,0|3,0,1]=4 41 B12R0.5 C#CCCCCCCNCCC=C 2230a_100015191253_100012276617 [0,0,0,0,0,0|2,0,2]=4 42 B12R0.5 C#CCCCCCCNCCCC 2230a_100000102301_100012276617 [0,0,0,0,0,0|2,0,1]=3 43 B12R0.5 C#CCCCCCCNCCCC 7a_106832991798_100012276617 [0,0,0,0,0,0|2,0,1]=3 44 B12R0.5 C#CCCCCCCNCCCF 2230a_100015189416_100012276617 [0,0,0,0,0,0|3,0,1]=4 45 B12R0.5 C#CCCCCCCNCCCF 34a_100015189416_100012276617 [0,0,0,0,0,0|3,0,1]=4 46 B12R0.5 C#CCCCCCCNCCOC 2230a_100000209980_100012276617 [0,0,0,0,0,0|3,0,1]=4 47 B12R0.5 C#CCCCCCCNCCSC 2230a_100020590264_100012276617 [0,0,0,0,0,0|3,0,1]=4 48 B12R0.5 C#CCCCCCCOCCC=C 34a_100011205117_100012276617 [0,0,0,0,0,0|2,0,2]=4 49 B12R0.5 C#CCCCCCCOCCC=C 34a_100011217361_100000754431 [0,0,0,0,0,0|2,0,2]=4 50 B12R0.5 C#CCCCCCCOCCC=C 7a_100011217361_100000754431 [0,0,0,0,0,0|2,0,2]=4 51 B12R0.5 C#CCCCCCCOCCCBr 34a_100011217188_100012276617 [0,0,0,0,0,0|3,0,1]=4 52 B12R0.5 C#CCCCCCCOCCCC 34a_100000210227_100012276617 [0,0,0,0,0,0|2,0,1]=3 53 B12R0.5 C#CCCCCCCOCCCC 34a_100011217361_100000210210 [0,0,0,0,0,0|2,0,1]=3 54 B12R0.5 C#CCCCCCCOCCCC 7a_100000210227_100012276617 [0,0,0,0,0,0|2,0,1]=3 55 B12R0.5 C#CCCCCCCOCCCC 7a_100011217361_100000210211 [0,0,0,0,0,0|2,0,1]=3 56 B12R0.5 C#CCCCCCCOCCCCl 34a_100000230001_100012276617 [0,0,0,0,0,0|3,0,1]=4 57 B12R0.5 C#CCCCCCCOCCCF 34a_100000759539_100012276617 [0,0,0,0,0,0|3,0,1]=4 58 B12R0.5 C#CCCCCCCOCCCF 34a_100011217361_100011934791 [0,0,0,0,0,0|3,0,1]=4 59 B12R0.5 C#CCCCCCCOCCCF 7a_100011217361_100011934791 [0,0,0,0,0,0|3,0,1]=4 60 B12R0.5 C#CCCCCCCOCCCN 34a_100000182051_100012276617 [0,0,0,0,0,0|3,0,1]=4 61 B12R0.5 C#CCCCCCCOCCCO 34a_100011217361_100000230001 [0,0,0,0,0,0|3,0,1]=4 62 B12R0.5 C#CCCCCCCOCCCO 7a_100011217361_100011215043 [0,0,0,0,0,0|3,0,1]=4 63 B12R0.5 C#CCCCCCCOCCOC 34a_100000210237_100012276617 [0,0,0,0,0,0|3,0,1]=4 64 B12R0.5 C#CCCCCCCOCCOC 34a_100011217361_100011201679 [0,0,0,0,0,0|3,0,1]=4 65 B12R0.5 C#CCCCCCCOCCOC 7a_100011217361_100000233755 [0,0,0,0,0,0|3,0,1]=4 66 B12R0.5 C#CCCCCCCOCCSC 34a_100000230434_100012276617 [0,0,0,0,0,0|3,0,1]=4 67 B12R0.5 C#CCCCCCCOCCSC 34a_100011217361_100000212216 [0,0,0,0,0,0|3,0,1]=4 68 B12R0.5 C#CCCCCCCOCCSC 7a_100000230434_100012276617 [0,0,0,0,0,0|3,0,1]=4 69 B12R0.5 C#CCCCCCCOCCSC 7a_100011217361_100000212216 [0,0,0,0,0,0|3,0,1]=4 70 B12R0.5 C#CCCCCCCSCCC=C 62a_100000754431_100012276617 [0,0,0,0,0,0|2,0,2]=4 71 B12R0.5 C#CCCCCCCSCCC=C 62a_100012276617_100000754431 [0,0,0,0,0,0|2,0,2]=4 72 B12R0.5 C#CCCCCCCSCCCC 62a_100000210211_100012276617 [0,0,0,0,0,0|2,0,1]=3 73 B12R0.5 C#CCCCCCCSCCCC 62a_100012276617_100000210210 [0,0,0,0,0,0|2,0,1]=3 74 B12R0.5 C#CCCCCCCSCCCF 62a_100011934791_100012276617 [0,0,0,0,0,0|3,0,1]=4 75 B12R0.5 C#CCCCCCCSCCCF 62a_100012276617_100011934791 [0,0,0,0,0,0|3,0,1]=4 76 B12R0.5 C#CCCCCCCSCCCO 62a_100011215043_100012276617 [0,0,0,0,0,0|3,0,1]=4 77 B12R0.5 C#CCCCCCCSCCCO 62a_100012276617_100011215043 [0,0,0,0,0,0|3,0,1]=4 78 B12R0.5 C#CCCCCCCSCCOC 62a_100000233755_100012276617 [0,0,0,0,0,0|3,0,1]=4 79 B12R0.5 C#CCCCCCCSCCOC 62a_100012276617_100000233755 [0,0,0,0,0,0|3,0,1]=4 80 B12R0.5 C#CCCCCCCSCCSC 62a_100000212216_100012276617 [0,0,0,0,0,0|3,0,1]=4 81 B12R0.5 C#CCCCCCCSCCSC 62a_100012276617_100000751147 [0,0,0,0,0,0|3,0,1]=4 82 B12R0.5 C#CCCCCCCSCOCC 62a_100000739092_100012276617 [0,0,0,0,0,0|3,0,1]=4 83 B12R0.5 C#CCCCCCCSCOCC 62a_100012276617_100000739092 [0,0,0,0,0,0|3,0,1]=4 84 B12R0.5 C#CCCCCCNCCCC=C 2230a_100000700776_100012094781 [0,0,0,0,0,0|2,0,2]=4 85 B12R0.5 C#CCCCCCNCCCC=C 34a_100000700776_100012094781 [0,0,0,0,0,0|2,0,2]=4 86 B12R0.5 C#CCCCCCNCCCCC 2230a_100000209983_100012094781 [0,0,0,0,0,0|2,0,1]=3 87 B12R0.5 C#CCCCCCNCCCCO 2230a_100000750430_100012094781 [0,0,0,0,0,0|3,0,1]=4 88 B12R0.5 C#CCCCCCNCCCCO 34a_100000750430_100012094781 [0,0,0,0,0,0|3,0,1]=4 89 B12R0.5 C#CCCCCCNCCCOC 34a_100150723488_100012094781 [0,0,0,0,0,0|3,0,1]=4 90 B12R0.5 C#CCCCCCNCCCSC 2230a_100000749238_100012094781 [0,0,0,0,0,0|3,0,1]=4 91 B12R0.5 C#CCCCCCNCCOCC 2230a_102516460346_100012094781 [0,0,0,0,0,0|3,0,1]=4 92 B12R0.5 C#CCCCCCNCCOCC 34a_102516460346_100012094781 [0,0,0,0,0,0|3,0,1]=4 93 B12R0.5 C#CCCCCCNCCSCC 2230a_100000106463_100012094781 [0,0,0,0,0,0|3,0,1]=4 94 B12R0.5 C#CCCCCCOCCCC=C 34a_100000758997_100012094781 [0,0,0,0,0,0|2,0,2]=4 95 B12R0.5 C#CCCCCCOCCCC=C 34a_100000766912_100000757094 [0,0,0,0,0,0|2,0,2]=4 96 B12R0.5 C#CCCCCCOCCCC=C 7a_100000758997_100012094781 [0,0,0,0,0,0|2,0,2]=4 97 B12R0.5 C#CCCCCCOCCCC=C 7a_100000766912_100000757094 [0,0,0,0,0,0|2,0,2]=4 98 B12R0.5 C#CCCCCCOCCCC=O 7a_100000766912_200011292268 [0,0,0,0,0,0|1,0,2]=3 99 B12R0.5 C#CCCCCCOCCCCBr 34a_100011216708_100012094781 [0,0,0,0,0,0|3,0,1]=4 100 B12R0.5 C#CCCCCCOCCCCC 34a_100000210253_100012094781 [0,0,0,0,0,0|2,0,1]=3 101 B12R0.5 C#CCCCCCOCCCCC 34a_100000766912_100000718602 [0,0,0,0,0,0|2,0,1]=3 102 B12R0.5 C#CCCCCCOCCCCC 7a_100000210253_100012094781 [0,0,0,0,0,0|2,0,1]=3 103 B12R0.5 C#CCCCCCOCCCCC 7a_100000766912_100000210326 [0,0,0,0,0,0|2,0,1]=3 104 B12R0.5 C#CCCCCCOCCCCCl 34a_100000210776_100012094781 [0,0,0,0,0,0|3,0,1]=4 105 B12R0.5 C#CCCCCCOCCCCCl 7a_100000210776_100012094781 [0,0,0,0,0,0|3,0,1]=4 106 B12R0.5 C#CCCCCCOCCCCF 34a_100000766912_100000729493 [0,0,0,0,0,0|3,0,1]=4 107 B12R0.5 C#CCCCCCOCCCCF 34a_100011995726_100012094781 [0,0,0,0,0,0|3,0,1]=4 108 B12R0.5 C#CCCCCCOCCCCF 7a_100000766912_100000729493 [0,0,0,0,0,0|3,0,1]=4 109 B12R0.5 C#CCCCCCOCCCCF 7a_100011995726_100012094781 [0,0,0,0,0,0|3,0,1]=4 110 B12R0.5 C#CCCCCCOCCCCI 34a_200012148704_100012094781 [0,0,0,0,0,0|3,0,1]=4 111 B12R0.5 C#CCCCCCOCCCCN 34a_100000750430_100012094781 [0,0,0,0,0,0|3,0,1]=4 112 B12R0.5 C#CCCCCCOCCCCO 34a_100000766912_100011216708 [0,0,0,0,0,0|3,0,1]=4 113 B12R0.5 C#CCCCCCOCCCCO 7a_100000766912_100000210776 [0,0,0,0,0,0|3,0,1]=4 114 B12R0.5 C#CCCCCCOCCCNC 34a_100000213112_100012094781 [0,0,0,0,0,0|3,0,1]=4 115 B12R0.5 C#CCCCCCOCCCOC 34a_100000740835_100012094781 [0,0,0,0,0,0|3,0,1]=4 116 B12R0.5 C#CCCCCCOCCCOC 34a_100000766912_100000740836 [0,0,0,0,0,0|3,0,1]=4 117 B12R0.5 C#CCCCCCOCCCOC 7a_100000766912_100000740836 [0,0,0,0,0,0|3,0,1]=4 118 B12R0.5 C#CCCCCCOCCCSC 34a_100000690336_100012094781 [0,0,0,0,0,0|3,0,1]=4 119 B12R0.5 C#CCCCCCOCCCSC 7a_100000690336_100012094781 [0,0,0,0,0,0|3,0,1]=4 120 B12R0.5 C#CCCCCCOCCOCC 34a_100000210136_100012094781 [0,0,0,0,0,0|3,0,1]=4 121 B12R0.5 C#CCCCCCOCCOCC 34a_100000766912_100000210147 [0,0,0,0,0,0|3,0,1]=4 122 B12R0.5 C#CCCCCCOCCOCC 7a_100000210136_100012094781 [0,0,0,0,0,0|3,0,1]=4 123 B12R0.5 C#CCCCCCOCCOCC 7a_100000766912_100011215890 [0,0,0,0,0,0|3,0,1]=4 124 B12R0.5 C#CCCCCCOCCSCC 34a_100000212035_100012094781 [0,0,0,0,0,0|3,0,1]=4 125 B12R0.5 C#CCCCCCOCCSCC 34a_100000766912_100000757381 [0,0,0,0,0,0|3,0,1]=4 126 B12R0.5 C#CCCCCCOCCSCC 7a_100000212035_100012094781 [0,0,0,0,0,0|3,0,1]=4 127 B12R0.5 C#CCCCCCOCCSCC 7a_100000766912_100000757381 [0,0,0,0,0,0|3,0,1]=4 128 B12R0.5 C#CCCCCCSCCCC=C 62a_100011713584_100012094781 [0,0,0,0,0,0|2,0,2]=4 129 B12R0.5 C#CCCCCCSCCCC=C 62a_100012094781_100000757094 [0,0,0,0,0,0|2,0,2]=4 130 B12R0.5 C#CCCCCCSCCCC=O 62a_100012094781_200011292268 [0,0,0,0,0,0|1,0,2]=3 131 B12R0.5 C#CCCCCCSCCCC=O 62a_200011292268_100012094781 [0,0,0,0,0,0|1,0,2]=3 132 B12R0.5 C#CCCCCCSCCCCC 62a_100000210326_100012094781 [0,0,0,0,0,0|2,0,1]=3 133 B12R0.5 C#CCCCCCSCCCCC 62a_100012094781_100000210326 [0,0,0,0,0,0|2,0,1]=3 134 B12R0.5 C#CCCCCCSCCCCF 62a_100000729493_100012094781 [0,0,0,0,0,0|3,0,1]=4 135 B12R0.5 C#CCCCCCSCCCCF 62a_100012094781_100000729493 [0,0,0,0,0,0|3,0,1]=4 136 B12R0.5 C#CCCCCCSCCCCO 62a_100000210776_100012094781 [0,0,0,0,0,0|3,0,1]=4 137 B12R0.5 C#CCCCCCSCCCCO 62a_100012094781_100000210776 [0,0,0,0,0,0|3,0,1]=4 138 B12R0.5 C#CCCCCCSCCCOC 62a_100000709357_100012094781 [0,0,0,0,0,0|3,0,1]=4 139 B12R0.5 C#CCCCCCSCCCOC 62a_100012094781_100000709357 [0,0,0,0,0,0|3,0,1]=4 140 B12R0.5 C#CCCCCCSCCOCC 62a_100000210147_100012094781 [0,0,0,0,0,0|3,0,1]=4 141 B12R0.5 C#CCCCCCSCCOCC 62a_100012094781_100011215890 [0,0,0,0,0,0|3,0,1]=4 142 B12R0.5 C#CCCCCCSCCSCC 62a_100000757381_100012094781 [0,0,0,0,0,0|3,0,1]=4 143 B12R0.5 C#CCCCCCSCCSCC 62a_100012094781_100000757381 [0,0,0,0,0,0|3,0,1]=4 144 B12R0.5 C#CCCCCNCCCCC=C 2230a_100000703577_100010269958 [0,0,0,0,0,0|2,0,2]=4 145 B12R0.5 C#CCCCCNCCCCC=C 2230a_100000706060_100011215482 [0,0,0,0,0,0|2,0,2]=4 146 B12R0.5 C#CCCCCNCCCCC=C 34a_100000703577_100010269958 [0,0,0,0,0,0|2,0,2]=4 147 B12R0.5 C#CCCCCNCCCCC=C 34a_100000706060_100011215482 [0,0,0,0,0,0|2,0,2]=4 148 B12R0.5 C#CCCCCNCCCCC=O 2230a_100000706060_100000139335 [0,0,0,0,0,0|1,0,2]=3 149 B12R0.5 C#CCCCCNCCCCCC 2230a_100000210581_100010269958 [0,0,0,0,0,0|2,0,1]=3 150 B12R0.5 C#CCCCCNCCCCCC 2230a_100000706060_100000210314 [0,0,0,0,0,0|2,0,1]=3 151 B12R0.5 C#CCCCCNCCCCCC 34a_100000706060_100000210314 [0,0,0,0,0,0|2,0,1]=3 152 B12R0.5 C#CCCCCNCCCCCF 2230a_100000706060_100000729378 [0,0,0,0,0,0|3,0,1]=4 153 B12R0.5 C#CCCCCNCCCCCF 34a_100000706060_100000729378 [0,0,0,0,0,0|3,0,1]=4 154 B12R0.5 C#CCCCCNCCCCCO 2230a_100000706060_100000746330 [0,0,0,0,0,0|3,0,1]=4 155 B12R0.5 C#CCCCCNCCCCCO 2230a_100000762737_100010269958 [0,0,0,0,0,0|3,0,1]=4 156 B12R0.5 C#CCCCCNCCCCCO 34a_100000706060_100000746330 [0,0,0,0,0,0|3,0,1]=4 157 B12R0.5 C#CCCCCNCCCCCO 34a_100000762737_100010269958 [0,0,0,0,0,0|3,0,1]=4 158 B12R0.5 C#CCCCCNCCCCOC 2230a_100000706060_100000730899 [0,0,0,0,0,0|3,0,1]=4 159 B12R0.5 C#CCCCCNCCCCOC 34a_100000706060_100000755781 [0,0,0,0,0,0|3,0,1]=4 160 B12R0.5 C#CCCCCNCCCOCC 2230a_100000210961_100010269958 [0,0,0,0,0,0|3,0,1]=4 161 B12R0.5 C#CCCCCNCCCOCC 2230a_100000706060_100012232248 [0,0,0,0,0,0|3,0,1]=4 162 B12R0.5 C#CCCCCNCCCOCC 34a_100000210961_100010269958 [0,0,0,0,0,0|3,0,1]=4 163 B12R0.5 C#CCCCCNCCCOCC 34a_100000706060_100012232248 [0,0,0,0,0,0|3,0,1]=4 164 B12R0.5 C#CCCCCNCCOCCC 2230a_100000706060_100011215938 [0,0,0,0,0,0|3,0,1]=4 165 B12R0.5 C#CCCCCNCCOCCC 2230a_100161115042_100010269958 [0,0,0,0,0,0|3,0,1]=4 166 B12R0.5 C#CCCCCNCCOCCC 34a_100000706060_100011215938 [0,0,0,0,0,0|3,0,1]=4 167 B12R0.5 C#CCCCCNCCOCCC 34a_100161115042_100010269958 [0,0,0,0,0,0|3,0,1]=4 168 B12R0.5 C#CCCCCNCCSCCC 2230a_100020603323_100010269958 [0,0,0,0,0,0|3,0,1]=4 169 B12R0.5 C#CCCCCNCOCCCC 2230a_100000706060_100011995733 [0,0,0,0,0,0|3,0,1]=4 170 B12R0.5 C#CCCCCNCOCCCC 34a_100000706060_100011995733 [0,0,0,0,0,0|3,0,1]=4 171 B12R0.5 C#CCCCCOCCCCC=C 34a_100000766645_100010269958 [0,0,0,0,0,0|2,0,2]=4 172 B12R0.5 C#CCCCCOCCCCC=C 34a_100000766709_100011215482 [0,0,0,0,0,0|2,0,2]=4 173 B12R0.5 C#CCCCCOCCCCC=C 7a_100000766645_100010269958 [0,0,0,0,0,0|2,0,2]=4 174 B12R0.5 C#CCCCCOCCCCC=C 7a_100000766709_100011215482 [0,0,0,0,0,0|2,0,2]=4 175 B12R0.5 C#CCCCCOCCCCC=O 7a_100000766709_100000139335 [0,0,0,0,0,0|1,0,2]=3 176 B12R0.5 C#CCCCCOCCCCCBr 34a_100000746331_100010269958 [0,0,0,0,0,0|3,0,1]=4 177 B12R0.5 C#CCCCCOCCCCCBr 7a_100000746331_100010269958 [0,0,0,0,0,0|3,0,1]=4 178 B12R0.5 C#CCCCCOCCCCCC 34a_100000210259_100010269958 [0,0,0,0,0,0|2,0,1]=3 179 B12R0.5 C#CCCCCOCCCCCC 34a_100000766709_100000210314 [0,0,0,0,0,0|2,0,1]=3 180 B12R0.5 C#CCCCCOCCCCCC 7a_100000210259_100010269958 [0,0,0,0,0,0|2,0,1]=3 181 B12R0.5 C#CCCCCOCCCCCC 7a_100000766709_100000210314 [0,0,0,0,0,0|2,0,1]=3 182 B12R0.5 C#CCCCCOCCCCCCl 34a_100000746330_100010269958 [0,0,0,0,0,0|3,0,1]=4 183 B12R0.5 C#CCCCCOCCCCCCl 7a_100000746330_100010269958 [0,0,0,0,0,0|3,0,1]=4 184 B12R0.5 C#CCCCCOCCCCCF 34a_100000766709_100000729378 [0,0,0,0,0,0|3,0,1]=4 185 B12R0.5 C#CCCCCOCCCCCF 7a_100000766709_100000729378 [0,0,0,0,0,0|3,0,1]=4 186 B12R0.5 C#CCCCCOCCCCCI 34a_200012148887_100010269958 [0,0,0,0,0,0|3,0,1]=4 187 B12R0.5 C#CCCCCOCCCCCI 7a_200012148887_100010269958 [0,0,0,0,0,0|3,0,1]=4 188 B12R0.5 C#CCCCCOCCCCCN 34a_100000762737_100010269958 [0,0,0,0,0,0|3,0,1]=4 189 B12R0.5 C#CCCCCOCCCCCO 34a_100000766709_100000746330 [0,0,0,0,0,0|3,0,1]=4 190 B12R0.5 C#CCCCCOCCCCCO 7a_100000766709_100000746330 [0,0,0,0,0,0|3,0,1]=4 191 B12R0.5 C#CCCCCOCCCCOC 34a_100000740925_100010269958 [0,0,0,0,0,0|3,0,1]=4 192 B12R0.5 C#CCCCCOCCCCOC 34a_100000766709_100000755781 [0,0,0,0,0,0|3,0,1]=4 193 B12R0.5 C#CCCCCOCCCCOC 7a_100000766709_100000730899 [0,0,0,0,0,0|3,0,1]=4 194 B12R0.5 C#CCCCCOCCCCSC 34a_100011217163_100010269958 [0,0,0,0,0,0|3,0,1]=4 195 B12R0.5 C#CCCCCOCCCCSC 7a_100011217163_100010269958 [0,0,0,0,0,0|3,0,1]=4 196 B12R0.5 C#CCCCCOCCCOCC 34a_100000757476_100010269958 [0,0,0,0,0,0|3,0,1]=4 197 B12R0.5 C#CCCCCOCCCOCC 34a_100000766709_100012232248 [0,0,0,0,0,0|3,0,1]=4 198 B12R0.5 C#CCCCCOCCCOCC 7a_100000757476_100010269958 [0,0,0,0,0,0|3,0,1]=4 199 B12R0.5 C#CCCCCOCCCOCC 7a_100000766709_100012232248 [0,0,0,0,0,0|3,0,1]=4 200 B12R0.5 C#CCCCCOCCCSCC 34a_100011216438_100010269958 [0,0,0,0,0,0|3,0,1]=4 201 B12R0.5 C#CCCCCOCCCSCC 7a_100011216438_100010269958 [0,0,0,0,0,0|3,0,1]=4 202 B12R0.5 C#CCCCCOCCOCCC 34a_100000752267_100010269958 [0,0,0,0,0,0|3,0,1]=4 203 B12R0.5 C#CCCCCOCCOCCC 34a_100000766709_100011215938 [0,0,0,0,0,0|3,0,1]=4 204 B12R0.5 C#CCCCCOCCOCCC 7a_100000752267_100010269958 [0,0,0,0,0,0|3,0,1]=4 205 B12R0.5 C#CCCCCOCCOCCC 7a_100000766709_100011215938 [0,0,0,0,0,0|3,0,1]=4 206 B12R0.5 C#CCCCCOCCSCCC 34a_200000230433_100010269958 [0,0,0,0,0,0|3,0,1]=4 207 B12R0.5 C#CCCCCOCCSCCC 7a_200000230433_100010269958 [0,0,0,0,0,0|3,0,1]=4 208 B12R0.5 C#CCCCCOCOCCCC 34a_100000766709_100011995733 [0,0,0,0,0,0|3,0,1]=4 209 B12R0.5 C#CCCCCSCCCCC=C 62a_100010269958_100011215482 [0,0,0,0,0,0|2,0,2]=4 210 B12R0.5 C#CCCCCSCCCCC=C 62a_100011215482_100010269958 [0,0,0,0,0,0|2,0,2]=4 211 B12R0.5 C#CCCCCSCCCCC=O 62a_100000139335_100010269958 [0,0,0,0,0,0|1,0,2]=3 212 B12R0.5 C#CCCCCSCCCCC=O 62a_100010269958_100000139335 [0,0,0,0,0,0|1,0,2]=3 213 B12R0.5 C#CCCCCSCCCCCC 62a_100000210314_100010269958 [0,0,0,0,0,0|2,0,1]=3 214 B12R0.5 C#CCCCCSCCCCCC 62a_100010269958_100000210757 [0,0,0,0,0,0|2,0,1]=3 215 B12R0.5 C#CCCCCSCCCCCF 62a_100000729378_100010269958 [0,0,0,0,0,0|3,0,1]=4 216 B12R0.5 C#CCCCCSCCCCCF 62a_100010269958_100000729378 [0,0,0,0,0,0|3,0,1]=4 217 B12R0.5 C#CCCCCSCCCCCO 62a_100000746330_100010269958 [0,0,0,0,0,0|3,0,1]=4 218 B12R0.5 C#CCCCCSCCCCCO 62a_100010269958_100000746330 [0,0,0,0,0,0|3,0,1]=4 219 B12R0.5 C#CCCCCSCCCCOC 62a_100000730899_100010269958 [0,0,0,0,0,0|3,0,1]=4 220 B12R0.5 C#CCCCCSCCCCOC 62a_100010269958_100000730899 [0,0,0,0,0,0|3,0,1]=4 221 B12R0.5 C#CCCCCSCCCOCC 62a_100010269958_100012232248 [0,0,0,0,0,0|3,0,1]=4 222 B12R0.5 C#CCCCCSCCCOCC 62a_100012232248_100010269958 [0,0,0,0,0,0|3,0,1]=4 223 B12R0.5 C#CCCCCSCCOCCC 62a_100010269958_100011215938 [0,0,0,0,0,0|3,0,1]=4 224 B12R0.5 C#CCCCCSCCOCCC 62a_100011215938_100010269958 [0,0,0,0,0,0|3,0,1]=4 225 B12R0.5 C#CCCCCSCOCCCC 62a_100010269958_100011995733 [0,0,0,0,0,0|3,0,1]=4 226 B12R0.5 C#CCCCCSCOCCCC 62a_100011995733_100010269958 [0,0,0,0,0,0|3,0,1]=4 227 B12R0.5 C#CCCCNCCCCCC=C 34a_100000718082_100000700193 [0,0,0,0,0,0|2,0,2]=4 228 B12R0.5 C#CCCCNCCCCCCC 2230a_100000229938_100000731252 [0,0,0,0,0,0|2,0,1]=3 229 B12R0.5 C#CCCCNCCCCCCC 34a_100000718082_100000210614 [0,0,0,0,0,0|2,0,1]=3 230 B12R0.5 C#CCCCNCCCCCCF 34a_100000718082_100015922095 [0,0,0,0,0,0|3,0,1]=4 231 B12R0.5 C#CCCCNCCCCCCO 2230a_100000686447_100000731252 [0,0,0,0,0,0|3,0,1]=4 232 B12R0.5 C#CCCCNCCCCCCO 34a_100000686447_100000695029 [0,0,0,0,0,0|3,0,1]=4 233 B12R0.5 C#CCCCNCCCCCCO 34a_100000718082_100000766143 [0,0,0,0,0,0|3,0,1]=4 234 B12R0.5 C#CCCCNCCCCCOC 2230a_100000747528_100000731252 [0,0,0,0,0,0|3,0,1]=4 235 B12R0.5 C#CCCCNCCCCCOC 34a_100000747528_100000695029 [0,0,0,0,0,0|3,0,1]=4 236 B12R0.5 C#CCCCNCCCOCCC 2230a_100011217757_100000731252 [0,0,0,0,0,0|3,0,1]=4 237 B12R0.5 C#CCCCNCCCOCCC 34a_100011217757_100000695029 [0,0,0,0,0,0|3,0,1]=4 238 B12R0.5 C#CCCCNCCOCCCC 34a_100000718082_100000743108 [0,0,0,0,0,0|3,0,1]=4 239 B12R0.5 C#CCCCNCCSCCCC 2230a_100025743550_100000731252 [0,0,0,0,0,0|3,0,1]=4 240 B12R0.5 C#CCCCOCCCCCC=C 34a_100000215630_100000700193 [0,0,0,0,0,0|2,0,2]=4 241 B12R0.5 C#CCCCOCCCCCC=C 34a_100011216702_100000695029 [0,0,0,0,0,0|2,0,2]=4 242 B12R0.5 C#CCCCOCCCCCC=C 7a_100000215630_100000700193 [0,0,0,0,0,0|2,0,2]=4 243 B12R0.5 C#CCCCOCCCCCC=C 7a_100011216702_100011215417 [0,0,0,0,0,0|2,0,2]=4 244 B12R0.5 C#CCCCOCCCCCC=O 7a_100000215630_100000139337 [0,0,0,0,0,0|1,0,2]=3 245 B12R0.5 C#CCCCOCCCCCCBr 34a_100011215345_100000695029 [0,0,0,0,0,0|3,0,1]=4 246 B12R0.5 C#CCCCOCCCCCCBr 7a_100011215345_100011215417 [0,0,0,0,0,0|3,0,1]=4 247 B12R0.5 C#CCCCOCCCCCCC 34a_100000210272_100000695029 [0,0,0,0,0,0|2,0,1]=3 248 B12R0.5 C#CCCCOCCCCCCC 34a_100000215630_100000210614 [0,0,0,0,0,0|2,0,1]=3 249 B12R0.5 C#CCCCOCCCCCCC 7a_100000210272_100011215417 [0,0,0,0,0,0|2,0,1]=3 250 B12R0.5 C#CCCCOCCCCCCC 7a_100000215630_100000210614 [0,0,0,0,0,0|2,0,1]=3 251 B12R0.5 C#CCCCOCCCCCCCl 34a_100000766143_100000695029 [0,0,0,0,0,0|3,0,1]=4 252 B12R0.5 C#CCCCOCCCCCCCl 7a_100000766143_100011215417 [0,0,0,0,0,0|3,0,1]=4 253 B12R0.5 C#CCCCOCCCCCCF 34a_100000215630_100015922095 [0,0,0,0,0,0|3,0,1]=4 254 B12R0.5 C#CCCCOCCCCCCF 34a_100000732779_100000695029 [0,0,0,0,0,0|3,0,1]=4 255 B12R0.5 C#CCCCOCCCCCCF 7a_100000215630_100015922095 [0,0,0,0,0,0|3,0,1]=4 256 B12R0.5 C#CCCCOCCCCCCF 7a_100000732779_100011215417 [0,0,0,0,0,0|3,0,1]=4 257 B12R0.5 C#CCCCOCCCCCCN 34a_100000686447_100000695029 [0,0,0,0,0,0|3,0,1]=4 258 B12R0.5 C#CCCCOCCCCCCO 34a_100000215630_100000766143 [0,0,0,0,0,0|3,0,1]=4 259 B12R0.5 C#CCCCOCCCCCCO 7a_100000215630_100000766143 [0,0,0,0,0,0|3,0,1]=4 260 B12R0.5 C#CCCCOCCCCCNC 34a_100000722520_100000695029 [0,0,0,0,0,0|3,0,1]=4 261 B12R0.5 C#CCCCOCCOCCCC 34a_100000210238_100000695029 [0,0,0,0,0,0|3,0,1]=4 262 B12R0.5 C#CCCCOCCOCCCC 34a_100000215630_100000743108 [0,0,0,0,0,0|3,0,1]=4 263 B12R0.5 C#CCCCOCCOCCCC 7a_100000210238_100011215417 [0,0,0,0,0,0|3,0,1]=4 264 B12R0.5 C#CCCCOCCOCCCC 7a_100000215630_100000743108 [0,0,0,0,0,0|3,0,1]=4 265 B12R0.5 C#CCCCOCCSCCCC 34a_200000230436_100000695029 [0,0,0,0,0,0|3,0,1]=4 266 B12R0.5 C#CCCCOCCSCCCC 7a_200000230436_100011215417 [0,0,0,0,0,0|3,0,1]=4 267 B12R0.5 C#CCCCSCCCCCC=C 62a_100000700193_100011215417 [0,0,0,0,0,0|2,0,2]=4 268 B12R0.5 C#CCCCSCCCCCC=C 62a_100011215417_100000700193 [0,0,0,0,0,0|2,0,2]=4 269 B12R0.5 C#CCCCSCCCCCC=O 62a_100000139337_100011215417 [0,0,0,0,0,0|1,0,2]=3 270 B12R0.5 C#CCCCSCCCCCC=O 62a_100011215417_100000139337 [0,0,0,0,0,0|1,0,2]=3 271 B12R0.5 C#CCCCSCCCCCCC 62a_100000210614_100011215417 [0,0,0,0,0,0|2,0,1]=3 272 B12R0.5 C#CCCCSCCCCCCC 62a_100011215417_100000210316 [0,0,0,0,0,0|2,0,1]=3 273 B12R0.5 C#CCCCSCCCCCCF 62a_100011215417_100015922095 [0,0,0,0,0,0|3,0,1]=4 274 B12R0.5 C#CCCCSCCCCCCF 62a_100015922095_100011215417 [0,0,0,0,0,0|3,0,1]=4 275 B12R0.5 C#CCCCSCCCCCCO 62a_100000766143_100011215417 [0,0,0,0,0,0|3,0,1]=4 276 B12R0.5 C#CCCCSCCCCCCO 62a_100011215417_100000766143 [0,0,0,0,0,0|3,0,1]=4 277 B12R0.5 C#CCCCSCCOCCCC 62a_100000743108_100011215417 [0,0,0,0,0,0|3,0,1]=4 278 B12R0.5 C#CCCCSCCOCCCC 62a_100011215417_100000743108 [0,0,0,0,0,0|3,0,1]=4 279 B12R0.5 C#CCCNCCCCCCC=C 34a_100000755551_100011215473 [0,0,0,0,0,0|2,0,2]=4 280 B12R0.5 C#CCCNCCCCCCCC 2230a_100000229939_100000688953 [0,0,0,0,0,0|2,0,1]=3 281 B12R0.5 C#CCCNCCCCCCCC 34a_100000229939_100000688953 [0,0,0,0,0,0|2,0,1]=3 282 B12R0.5 C#CCCNCCCCCCCC 34a_100000755551_100000210759 [0,0,0,0,0,0|2,0,1]=3 283 B12R0.5 C#CCCNCCCCCCCO 2230a_100011996573_100000688953 [0,0,0,0,0,0|3,0,1]=4 284 B12R0.5 C#CCCNCCCCCCCO 34a_100000755551_100000760002 [0,0,0,0,0,0|3,0,1]=4 285 B12R0.5 C#CCCNCCCCCCCO 34a_100011996573_100000688953 [0,0,0,0,0,0|3,0,1]=4 286 B12R0.5 C#CCCNCCCCCCOC 34a_100000755551_100011998445 [0,0,0,0,0,0|3,0,1]=4 287 B12R0.5 C#CCCNCCCOCCCC 2230a_200000211371_100000688953 [0,0,0,0,0,0|3,0,1]=4 288 B12R0.5 C#CCCNCCCOCCCC 34a_200000211371_100000688953 [0,0,0,0,0,0|3,0,1]=4 289 B12R0.5 C#CCCOCCCCCCC=C 34a_100011215631_100011215473 [0,0,0,0,0,0|2,0,2]=4 290 B12R0.5 C#CCCOCCCCCCC=C 34a_200011216477_100000688953 [0,0,0,0,0,0|2,0,2]=4 291 B12R0.5 C#CCCOCCCCCCC=C 7a_200011216477_100000688953 [0,0,0,0,0,0|2,0,2]=4 292 B12R0.5 C#CCCOCCCCCCCBr 34a_100000760002_100000688953 [0,0,0,0,0,0|3,0,1]=4 293 B12R0.5 C#CCCOCCCCCCCBr 7a_100000760002_100000688953 [0,0,0,0,0,0|3,0,1]=4 294 B12R0.5 C#CCCOCCCCCCCC 34a_100000210232_100000688953 [0,0,0,0,0,0|2,0,1]=3 295 B12R0.5 C#CCCOCCCCCCCC 34a_100011215631_100000210759 [0,0,0,0,0,0|2,0,1]=3 296 B12R0.5 C#CCCOCCCCCCCC 7a_100000210232_100000688953 [0,0,0,0,0,0|2,0,1]=3 297 B12R0.5 C#CCCOCCCCCCCN 34a_100011996573_100000688953 [0,0,0,0,0,0|3,0,1]=4 298 B12R0.5 C#CCCOCCCCCCCO 34a_100011215631_100000760002 [0,0,0,0,0,0|3,0,1]=4 299 B12R0.5 C#CCCOCCCCCCOC 34a_100011215631_100011998445 [0,0,0,0,0,0|3,0,1]=4 300 B12R0.5 C#CCCOCCCCCCOC 34a_200012092642_100000688953 [0,0,0,0,0,0|3,0,1]=4 301 B12R0.5 C#CCCOCCCCCCOC 7a_200012092642_100000688953 [0,0,0,0,0,0|3,0,1]=4 302 B12R0.5 C#CCCOCCCOCCCC 34a_200011215613_100000688953 [0,0,0,0,0,0|3,0,1]=4 303 B12R0.5 C#CCCOCCCOCCCC 7a_200011215613_100000688953 [0,0,0,0,0,0|3,0,1]=4 304 B12R0.5 C#CCCOCCNCCCCC 34a_100000224656_100000688953 [0,0,0,0,0,0|3,0,1]=4 305 B12R0.5 C#CCCOCCOCCCCC 34a_100011215259_100000688953 [0,0,0,0,0,0|3,0,1]=4 306 B12R0.5 C#CCCOCCOCCCCC 7a_100011215259_100000688953 [0,0,0,0,0,0|3,0,1]=4 307 B12R0.5 C#CCCSCCCCCCC=C 62a_100000688953_100011215473 [0,0,0,0,0,0|2,0,2]=4 308 B12R0.5 C#CCCSCCCCCCC=C 62a_100011215473_100000688953 [0,0,0,0,0,0|2,0,2]=4 309 B12R0.5 C#CCCSCCCCCCCC 62a_100000210759_100000688953 [0,0,0,0,0,0|2,0,1]=3 310 B12R0.5 C#CCCSCCCCCCCC 62a_100000688953_100000210317 [0,0,0,0,0,0|2,0,1]=3 311 B12R0.5 C#CCCSCCCCCCCO 62a_100000688953_100000760002 [0,0,0,0,0,0|3,0,1]=4 312 B12R0.5 C#CCCSCCCCCCCO 62a_100000760002_100000688953 [0,0,0,0,0,0|3,0,1]=4 313 B12R0.5 C#CCCSCCCCCCOC 62a_100000688953_100011998445 [0,0,0,0,0,0|3,0,1]=4 314 B12R0.5 C#CCCSCCCCCCOC 62a_100011998445_100000688953 [0,0,0,0,0,0|3,0,1]=4 315 B12R0.5 C#CCNCCCCCCCC=C 34a_100000212058_100012355270 [0,0,0,0,0,0|2,0,2]=4 316 B12R0.5 C#CCNCCCCCCCCC 2230a_100000212291_100000038162 [0,0,0,0,0,0|2,0,1]=3 317 B12R0.5 C#CCNCCCCCCCCC 34a_100000212058_100011214924 [0,0,0,0,0,0|2,0,1]=3 318 B12R0.5 C#CCNCCCCCCCCC 34a_100000212291_100000184674 [0,0,0,0,0,0|2,0,1]=3 319 B12R0.5 C#CCNCCCCCCCCO 2230a_102515433106_100000038162 [0,0,0,0,0,0|3,0,1]=4 320 B12R0.5 C#CCNCCCCCCCCO 34a_100000212058_100000033203 [0,0,0,0,0,0|3,0,1]=4 321 B12R0.5 C#CCNCCCCCCCCO 34a_102515433106_100000184674 [0,0,0,0,0,0|3,0,1]=4 322 B12R0.5 C#CCOCCCCCCCC=C 34a_100000210247_100012355270 [0,0,0,0,0,0|2,0,2]=4 323 B12R0.5 C#CCOCCCCCCCC=C 34a_100000730831_100000184674 [0,0,0,0,0,0|2,0,2]=4 324 B12R0.5 C#CCOCCCCCCCC=C 7a_100000730831_100000038162 [0,0,0,0,0,0|2,0,2]=4 325 B12R0.5 C#CCOCCCCCCCCBr 34a_100009813846_100000184674 [0,0,0,0,0,0|3,0,1]=4 326 B12R0.5 C#CCOCCCCCCCCBr 7a_100009813846_100000038162 [0,0,0,0,0,0|3,0,1]=4 327 B12R0.5 C#CCOCCCCCCCCC 34a_100000210247_100011214924 [0,0,0,0,0,0|2,0,1]=3 328 B12R0.5 C#CCOCCCCCCCCC 34a_100000210712_100000184674 [0,0,0,0,0,0|2,0,1]=3 329 B12R0.5 C#CCOCCCCCCCCC 7a_100000210712_100000038162 [0,0,0,0,0,0|2,0,1]=3 330 B12R0.5 C#CCOCCCCCCCCCl 34a_100000033203_100000184674 [0,0,0,0,0,0|3,0,1]=4 331 B12R0.5 C#CCOCCCCCCCCCl 7a_100000033203_100000038162 [0,0,0,0,0,0|3,0,1]=4 332 B12R0.5 C#CCOCCCCCCCCN 34a_102515433106_100000184674 [0,0,0,0,0,0|3,0,1]=4 333 B12R0.5 C#CCOCCCCCCCCO 34a_100000210247_100000033203 [0,0,0,0,0,0|3,0,1]=4 334 B12R0.5 C#CCOCCCCCCOCC 34a_200011021349_100000210202 [0,0,0,0,0,0|3,0,1]=4 335 B12R0.5 C#CCOCCCCCCOCC 7a_200011021349_100000210202 [0,0,0,0,0,0|3,0,1]=4 336 B12R0.5 C#CCOCCCCNCCCC 34a_200011216965_100000184674 [0,0,0,0,0,0|3,0,1]=4 337 B12R0.5 C#CCOCCCCOCCCC 34a_200000760531_100000184674 [0,0,0,0,0,0|3,0,1]=4 338 B12R0.5 C#CCOCCCCOCCCC 7a_200000760531_100000038162 [0,0,0,0,0,0|3,0,1]=4 339 B12R0.5 C#CCOCCNCCCCC=O 2230a_100000700922_100000139335 [0,0,0,0,0,0|2,0,2]=4 340 B12R0.5 C#CCOCCNCCCCCC 2230a_100000210581_100010402529 [0,0,0,0,0,0|3,0,1]=4 341 B12R0.5 C#CCOCCNCCCCCC 2230a_100000700922_100000210314 [0,0,0,0,0,0|3,0,1]=4 342 B12R0.5 C#CCOCCNCCCCCC 34a_100000700922_100000210314 [0,0,0,0,0,0|3,0,1]=4 343 B12R0.5 C#CCOCCOCCCCC=O 7a_100000054580_100000139335 [0,0,0,0,0,0|2,0,2]=4 344 B12R0.5 C#CCOCCOCCCCCC 34a_100000054580_100000210314 [0,0,0,0,0,0|3,0,1]=4 345 B12R0.5 C#CCOCCOCCCCCC 34a_100000210259_100010402529 [0,0,0,0,0,0|3,0,1]=4 346 B12R0.5 C#CCOCCOCCCCCC 34a_100000691444_100000184674 [0,0,0,0,0,0|3,0,1]=4 347 B12R0.5 C#CCOCCOCCCCCC 7a_100000054580_100000210314 [0,0,0,0,0,0|3,0,1]=4 348 B12R0.5 C#CCOCCOCCCCCC 7a_100000210259_100010402529 [0,0,0,0,0,0|3,0,1]=4 349 B12R0.5 C#CCOCCOCCCCCC 7a_100000691444_100000038162 [0,0,0,0,0,0|3,0,1]=4 350 B12R0.5 C#CCOCCSCCCCC=O 62a_100000139335_100010402529 [0,0,0,0,0,0|2,0,2]=4 351 B12R0.5 C#CCOCCSCCCCC=O 62a_100010402529_100000139335 [0,0,0,0,0,0|2,0,2]=4 352 B12R0.5 C#CCOCCSCCCCCC 62a_100000210314_100010402529 [0,0,0,0,0,0|3,0,1]=4 353 B12R0.5 C#CCOCCSCCCCCC 62a_100010402529_100000210757 [0,0,0,0,0,0|3,0,1]=4 354 B12R0.5 C#CCSCCCCCCCC=C 62a_100000038162_100012355270 [0,0,0,0,0,0|2,0,2]=4 355 B12R0.5 C#CCSCCCCCCCCC 62a_100000038162_100000210670 [0,0,0,0,0,0|2,0,1]=3 356 B12R0.5 C#CCSCCCCCCCCO 62a_100000038162_100000033203 [0,0,0,0,0,0|3,0,1]=4 357 B12R0.5 C/C=C/CCOCCCCCCC 34a_100016278192_100000210614 [0,0,0,0,0,0|2,0,1]=3 358 B12R0.5 C/C=C/CCOCCCCCCF 34a_100016278192_100015922095 [0,0,0,0,0,0|3,0,1]=4 359 B12R0.5 C/C=C/CCOCCCCCCO 34a_100016278192_100000766143 [0,0,0,0,0,0|3,0,1]=4 360 B12R0.5 C/C=C/CCOCCOCCCC 34a_100016278192_100000743108 [0,0,0,0,0,0|3,0,1]=4 361 B12R0.5 C/C=C/CNCCCCCCCC 34a_100000229939_100102629194 [0,0,0,0,0,0|2,0,1]=3 362 B12R0.5 C/C=C/CNCCCCCCCO 34a_100011996573_100102629194 [0,0,0,0,0,0|3,0,1]=4 363 B12R0.5 C/C=C/CNCCCOCCCC 34a_200000211371_100102629194 [0,0,0,0,0,0|3,0,1]=4 364 B12R0.5 C/C=C/COCCCCCCCBr 34a_100000760002_100102629194 [0,0,0,0,0,0|3,0,1]=4 365 B12R0.5 C/C=C/COCCCCCCCBr 7a_100000760002_100102629194 [0,0,0,0,0,0|3,0,1]=4 366 B12R0.5 C/C=C/COCCCCCCCC 34a_100000210232_100102629194 [0,0,0,0,0,0|2,0,1]=3 367 B12R0.5 C/C=C/COCCCCCCCC 34a_100016270725_100000210759 [0,0,0,0,0,0|2,0,1]=3 368 B12R0.5 C/C=C/COCCCCCCCC 7a_100000210232_100102629194 [0,0,0,0,0,0|2,0,1]=3 369 B12R0.5 C/C=C/COCCCCCCCN 34a_100011996573_100102629194 [0,0,0,0,0,0|3,0,1]=4 370 B12R0.5 C/C=C/COCCCCCCCO 34a_100016270725_100000760002 [0,0,0,0,0,0|3,0,1]=4 371 B12R0.5 C/C=C/COCCCCCCOC 34a_100016270725_100011998445 [0,0,0,0,0,0|3,0,1]=4 372 B12R0.5 C/C=C/COCCCCCCOC 34a_200012092642_100102629194 [0,0,0,0,0,0|3,0,1]=4 373 B12R0.5 C/C=C/COCCCCCCOC 7a_200012092642_100102629194 [0,0,0,0,0,0|3,0,1]=4 374 B12R0.5 C/C=C/COCCCOCCCC 34a_200011215613_100102629194 [0,0,0,0,0,0|3,0,1]=4 375 B12R0.5 C/C=C/COCCCOCCCC 7a_200011215613_100102629194 [0,0,0,0,0,0|3,0,1]=4 376 B12R0.5 C/C=C/COCCNCCCCC 34a_100000224656_100102629194 [0,0,0,0,0,0|3,0,1]=4 377 B12R0.5 C/C=C/COCCOCCCCC 34a_100011215259_100102629194 [0,0,0,0,0,0|3,0,1]=4 378 B12R0.5 C/C=C/COCCOCCCCC 7a_100011215259_100102629194 [0,0,0,0,0,0|3,0,1]=4 379 B12R0.5 C/C=C/CSCCCCCCCC 62a_100000210759_100102629194 [0,0,0,0,0,0|2,0,1]=3 380 B12R0.5 C/C=C/CSCCCCCCCC 62a_100102629194_100000210317 [0,0,0,0,0,0|2,0,1]=3 381 B12R0.5 C/C=C/CSCCCCCCCO 62a_100000760002_100102629194 [0,0,0,0,0,0|3,0,1]=4 382 B12R0.5 C/C=C/CSCCCCCCCO 62a_100102629194_100000760002 [0,0,0,0,0,0|3,0,1]=4 383 B12R0.5 C/C=C/CSCCCCCCOC 62a_100011998445_100102629194 [0,0,0,0,0,0|3,0,1]=4 384 B12R0.5 C/C=C/CSCCCCCCOC 62a_100102629194_100011998445 [0,0,0,0,0,0|3,0,1]=4 385 B12R0.5 C=CCCC/C=C/COCCCC 34a_200016268473_100000210210 [0,0,0,0,0,0|2,0,2]=4 386 B12R0.5 C=CCCC/C=C/COCCCC 7a_200016268473_100000210211 [0,0,0,0,0,0|2,0,2]=4 387 B12R0.5 C=CCCCCCCCCCNC 2230a_100000081888_200000210301 [0,0,0,0,0,0|2,0,0]=2 388 B12R0.5 C=CCCCCCCCCCNC 2230a_106832991635_100009814027 [0,0,0,0,0,0|2,0,0]=2 389 B12R0.5 C=CCCCCCCCCCNC 34a_100000081888_200000210301 [0,0,0,0,0,0|2,0,0]=2 390 B12R0.5 C=CCCCCCCCCCNC 34a_100102657272_100009814027 [0,0,0,0,0,0|2,0,0]=2 391 B12R0.5 C=CCCCCCCCCCNC 7a_106832991635_100009814027 [0,0,0,0,0,0|2,0,0]=2 392 B12R0.5 C=CCCCCCCCCCN[13CH3] 2230a_100000081888_200025704644 [0,0,0,0,0,0|2,0,0]=2 393 B12R0.5 C=CCCCCCCCCCN[13CH3] 34a_100000081888_200025704644 [0,0,0,0,0,0|2,0,0]=2 394 B12R0.5 C=CCCCCCCCCCOC 34a_100000038209_200000210301 [0,0,0,0,0,0|2,0,0]=2 395 B12R0.5 C=CCCCCCCCCCOC 34a_100138415774_100009814027 [0,0,0,0,0,0|2,0,0]=2 396 B12R0.5 C=CCCCCCCCCCOC 7a_100000038209_200000210301 [0,0,0,0,0,0|2,0,0]=2 397 B12R0.5 C=CCCCCCCCCCO[13CH3] 34a_100000038209_200025704644 [0,0,0,0,0,0|2,0,0]=2 398 B12R0.5 C=CCCCCCCCCCO[13CH3] 7a_100000038209_200025704644 [0,0,0,0,0,0|2,0,0]=2 399 B12R0.5 C=CCCCCCCCCCSC 62a_100009814027_200000210301 [0,0,0,0,0,0|2,0,0]=2 400 B12R0.5 C=CCCCCCCCCCSC 62a_200000210301_100009814027 [0,0,0,0,0,0|2,0,0]=2 401 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_100009814027_200025704644 [0,0,0,0,0,0|2,0,0]=2 402 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_200025704644_100009814027 [0,0,0,0,0,0|2,0,0]=2 403 B12R0.5 C=CCCCCCCCCNCC 2230a_100015525214_100011933949 [0,0,0,0,0,0|2,0,0]=2 404 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [0,0,0,0,0,0|2,0,0]=2 405 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [0,0,0,0,0,0|2,0,0]=2 406 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [0,0,0,0,0,0|2,0,0]=2 407 B12R0.5 C=CCCCCCCCCOCF 34a_100011215194_100015361967 [0,0,0,0,0,0|3,0,0]=3 408 B12R0.5 C=CCCCCCCCCOCF 7a_100011215194_100015361967 [0,0,0,0,0,0|3,0,0]=3 409 B12R0.5 C=CCCCCCCCCSCC 62a_100000210202_100011933949 [0,0,0,0,0,0|2,0,0]=2 410 B12R0.5 C=CCCCCCCCCSCC 62a_100011933949_100000210202 [0,0,0,0,0,0|2,0,0]=2 411 B12R0.5 C=CCCCCCCCCSCF 62a_100011933949_100015361967 [0,0,0,0,0,0|3,0,0]=3 412 B12R0.5 C=CCCCCCCCCSCF 62a_100015361967_100011933949 [0,0,0,0,0,0|3,0,0]=3 413 B12R0.5 C=CCCCCCCCNCC=C 2230a_100020586998_100012355270 [0,0,0,0,0,0|2,0,2]=4 414 B12R0.5 C=CCCCCCCCNCCF 34a_100000724931_100012355270 [0,0,0,0,0,0|3,0,0]=3 415 B12R0.5 C=CCCCCCCCNCCO 2230a_100016997473_100012355270 [0,0,0,0,0,0|3,0,0]=3 416 B12R0.5 C=CCCCCCCCNCCO 34a_100016990907_100012355270 [0,0,0,0,0,0|3,0,0]=3 417 B12R0.5 C=CCCCCCCCOCC#N 7a_100000730831_100011215382 [0,0,0,0,0,0|3,0,1]=4 418 B12R0.5 C=CCCCCCCCOCC=C 34a_100000730831_100015514636 [0,0,0,0,0,0|2,0,2]=4 419 B12R0.5 C=CCCCCCCCOCC=C 34a_200000210373_100012355270 [0,0,0,0,0,0|2,0,2]=4 420 B12R0.5 C=CCCCCCCCOCC=C 7a_100000730831_100015514636 [0,0,0,0,0,0|2,0,2]=4 421 B12R0.5 C=CCCCCCCCOCC=O 34a_100000730831_200009817547 [0,0,0,0,0,0|1,0,2]=3 422 B12R0.5 C=CCCCCCCCOCC=O 7a_100000730831_200015260668 [0,0,0,0,0,0|1,0,2]=3 423 B12R0.5 C=CCCCCCCCOCCBr 34a_100000211926_100012355270 [0,0,0,0,0,0|3,0,0]=3 424 B12R0.5 C=CCCCCCCCOCCC 34a_100000210258_100012355270 [0,0,0,0,0,0|2,0,0]=2 425 B12R0.5 C=CCCCCCCCOCCC 34a_100000730831_100000210303 [0,0,0,0,0,0|2,0,0]=2 426 B12R0.5 C=CCCCCCCCOCCC 7a_100000730831_100000210303 [0,0,0,0,0,0|2,0,0]=2 427 B12R0.5 C=CCCCCCCCOCCF 34a_100000730831_100011217306 [0,0,0,0,0,0|3,0,0]=3 428 B12R0.5 C=CCCCCCCCOCCF 7a_100000730831_100011217306 [0,0,0,0,0,0|3,0,0]=3 429 B12R0.5 C=CCCCCCCCOCCN 34a_100000210304_100012355270 [0,0,0,0,0,0|3,0,0]=3 430 B12R0.5 C=CCCCCCCCOCCO 34a_100000730831_100000211926 [0,0,0,0,0,0|3,0,0]=3 431 B12R0.5 C=CCCCCCCCOCCO 7a_100000730831_100000211926 [0,0,0,0,0,0|3,0,0]=3 432 B12R0.5 C=CCCCCCCCOCSC 34a_100000730831_100011218213 [0,0,0,0,0,0|3,0,0]=3 433 B12R0.5 C=CCCCCCCCSCC#N 62a_100011215382_100012355270 [0,0,0,0,0,0|3,0,1]=4 434 B12R0.5 C=CCCCCCCCSCC#N 62a_100012355270_100011215382 [0,0,0,0,0,0|3,0,1]=4 435 B12R0.5 C=CCCCCCCCSCC=C 62a_100000210623_100012355270 [0,0,0,0,0,0|2,0,2]=4 436 B12R0.5 C=CCCCCCCCSCC=C 62a_100012355270_100000210623 [0,0,0,0,0,0|2,0,2]=4 437 B12R0.5 C=CCCCCCCCSCC=O 62a_100012355270_200015260668 [0,0,0,0,0,0|1,0,2]=3 438 B12R0.5 C=CCCCCCCCSCC=O 62a_200015260668_100012355270 [0,0,0,0,0,0|1,0,2]=3 439 B12R0.5 C=CCCCCCCCSCCC 62a_100000210303_100012355270 [0,0,0,0,0,0|2,0,0]=2 440 B12R0.5 C=CCCCCCCCSCCC 62a_100012355270_100000210303 [0,0,0,0,0,0|2,0,0]=2 441 B12R0.5 C=CCCCCCCCSCCF 62a_100011217306_100012355270 [0,0,0,0,0,0|3,0,0]=3 442 B12R0.5 C=CCCCCCCCSCCF 62a_100012355270_100011217306 [0,0,0,0,0,0|3,0,0]=3 443 B12R0.5 C=CCCCCCCCSCCO 62a_100000211926_100012355270 [0,0,0,0,0,0|3,0,0]=3 444 B12R0.5 C=CCCCCCCCSCCO 62a_100012355270_100000211926 [0,0,0,0,0,0|3,0,0]=3 445 B12R0.5 C=CCCCCCCCSCOC 62a_100000766300_100012355270 [0,0,0,0,0,0|3,0,0]=3 446 B12R0.5 C=CCCCCCCCSCOC 62a_100012355270_100000766300 [0,0,0,0,0,0|3,0,0]=3 447 B12R0.5 C=CCCCCCCCSCSC 62a_100011218213_100012355270 [0,0,0,0,0,0|3,0,0]=3 448 B12R0.5 C=CCCCCCCCSCSC 62a_100012355270_100011218213 [0,0,0,0,0,0|3,0,0]=3 449 B12R0.5 C=CCCCCCCNCC#CC 2230a_100000685387_100011215473 [0,0,0,0,0,0|2,0,2]=4 450 B12R0.5 C=CCCCCCCNCC#CC 34a_100000685387_100011215473 [0,0,0,0,0,0|2,0,2]=4 451 B12R0.5 C=CCCCCCCNCCC=C 2230a_100015191253_100011215473 [0,0,0,0,0,0|2,0,2]=4 452 B12R0.5 C=CCCCCCCNCCCC 2230a_100000102301_100011215473 [0,0,0,0,0,0|2,0,0]=2 453 B12R0.5 C=CCCCCCCNCCCC 7a_106832991798_100011215473 [0,0,0,0,0,0|2,0,0]=2 454 B12R0.5 C=CCCCCCCNCCCF 2230a_100015189416_100011215473 [0,0,0,0,0,0|3,0,0]=3 455 B12R0.5 C=CCCCCCCNCCCF 34a_100015189416_100011215473 [0,0,0,0,0,0|3,0,0]=3 456 B12R0.5 C=CCCCCCCNCCOC 2230a_100000209980_100011215473 [0,0,0,0,0,0|3,0,0]=3 457 B12R0.5 C=CCCCCCCNCCSC 2230a_100020590264_100011215473 [0,0,0,0,0,0|3,0,0]=3 458 B12R0.5 C=CCCCCCCOC/C=C/C 34a_100016270725_100011215473 [0,0,0,0,0,0|2,0,2]=4 459 B12R0.5 C=CCCCCCCOC/C=C/C 34a_200011216477_100102629194 [0,0,0,0,0,0|2,0,2]=4 460 B12R0.5 C=CCCCCCCOC/C=C/C 7a_200011216477_100102629194 [0,0,0,0,0,0|2,0,2]=4 461 B12R0.5 C=CCCCCCCOCC#CC 34a_100000761923_100011215473 [0,0,0,0,0,0|2,0,2]=4 462 B12R0.5 C=CCCCCCCOCC#CC 34a_200011216477_100000748600 [0,0,0,0,0,0|2,0,2]=4 463 B12R0.5 C=CCCCCCCOCC#CC 7a_200011216477_100000748600 [0,0,0,0,0,0|2,0,2]=4 464 B12R0.5 C=CCCCCCCOCC=CC 34a_200011216477_100000070051 [0,0,0,0,0,0|2,0,2]=4 465 B12R0.5 C=CCCCCCCOCC=CC 7a_200011216477_100000070051 [0,0,0,0,0,0|2,0,2]=4 466 B12R0.5 C=CCCCCCCOCCC#N 7a_200011216477_100000184422 [0,0,0,0,0,0|3,0,1]=4 467 B12R0.5 C=CCCCCCCOCCC=C 34a_100011205117_100011215473 [0,0,0,0,0,0|2,0,2]=4 468 B12R0.5 C=CCCCCCCOCCC=C 34a_200011216477_100000754431 [0,0,0,0,0,0|2,0,2]=4 469 B12R0.5 C=CCCCCCCOCCC=C 7a_200011216477_100000754431 [0,0,0,0,0,0|2,0,2]=4 470 B12R0.5 C=CCCCCCCOCCCBr 34a_100011217188_100011215473 [0,0,0,0,0,0|3,0,0]=3 471 B12R0.5 C=CCCCCCCOCCCC 34a_100000210227_100011215473 [0,0,0,0,0,0|2,0,0]=2 472 B12R0.5 C=CCCCCCCOCCCC 34a_200011216477_100000210210 [0,0,0,0,0,0|2,0,0]=2 473 B12R0.5 C=CCCCCCCOCCCC 7a_100000210227_100011215473 [0,0,0,0,0,0|2,0,0]=2 474 B12R0.5 C=CCCCCCCOCCCC 7a_200011216477_100000210211 [0,0,0,0,0,0|2,0,0]=2 475 B12R0.5 C=CCCCCCCOCCCCl 34a_100000230001_100011215473 [0,0,0,0,0,0|3,0,0]=3 476 B12R0.5 C=CCCCCCCOCCCF 34a_100000759539_100011215473 [0,0,0,0,0,0|3,0,0]=3 477 B12R0.5 C=CCCCCCCOCCCF 34a_200011216477_100011934791 [0,0,0,0,0,0|3,0,0]=3 478 B12R0.5 C=CCCCCCCOCCCF 7a_200011216477_100011934791 [0,0,0,0,0,0|3,0,0]=3 479 B12R0.5 C=CCCCCCCOCCCN 34a_100000182051_100011215473 [0,0,0,0,0,0|3,0,0]=3 480 B12R0.5 C=CCCCCCCOCCCO 34a_200011216477_100000230001 [0,0,0,0,0,0|3,0,0]=3 481 B12R0.5 C=CCCCCCCOCCCO 7a_200011216477_100011215043 [0,0,0,0,0,0|3,0,0]=3 482 B12R0.5 C=CCCCCCCOCCOC 34a_100000210237_100011215473 [0,0,0,0,0,0|3,0,0]=3 483 B12R0.5 C=CCCCCCCOCCOC 34a_200011216477_100011201679 [0,0,0,0,0,0|3,0,0]=3 484 B12R0.5 C=CCCCCCCOCCOC 7a_200011216477_100000233755 [0,0,0,0,0,0|3,0,0]=3 485 B12R0.5 C=CCCCCCCOCCON 34a_100000700252_100011215473 [0,0,0,0,0,0|4,0,0]=4 486 B12R0.5 C=CCCCCCCOCCSC 34a_100000230434_100011215473 [0,0,0,0,0,0|3,0,0]=3 487 B12R0.5 C=CCCCCCCOCCSC 34a_200011216477_100000212216 [0,0,0,0,0,0|3,0,0]=3 488 B12R0.5 C=CCCCCCCOCCSC 7a_100000230434_100011215473 [0,0,0,0,0,0|3,0,0]=3 489 B12R0.5 C=CCCCCCCOCCSC 7a_200011216477_100000212216 [0,0,0,0,0,0|3,0,0]=3 490 B12R0.5 C=CCCCCCCSC/C=C/C 62a_100011215473_100102629194 [0,0,0,0,0,0|2,0,2]=4 491 B12R0.5 C=CCCCCCCSC/C=C/C 62a_100102629194_100011215473 [0,0,0,0,0,0|2,0,2]=4 492 B12R0.5 C=CCCCCCCSCC#CC 62a_100000748600_100011215473 [0,0,0,0,0,0|2,0,2]=4 493 B12R0.5 C=CCCCCCCSCC#CC 62a_100011215473_100000748600 [0,0,0,0,0,0|2,0,2]=4 494 B12R0.5 C=CCCCCCCSCC=CC 62a_100000070051_100011215473 [0,0,0,0,0,0|2,0,2]=4 495 B12R0.5 C=CCCCCCCSCC=CC 62a_100011215473_100000070051 [0,0,0,0,0,0|2,0,2]=4 496 B12R0.5 C=CCCCCCCSCCC#N 62a_100011215226_100011215473 [0,0,0,0,0,0|3,0,1]=4 497 B12R0.5 C=CCCCCCCSCCC#N 62a_100011215473_100011215226 [0,0,0,0,0,0|3,0,1]=4 498 B12R0.5 C=CCCCCCCSCCC=C 62a_100000754431_100011215473 [0,0,0,0,0,0|2,0,2]=4 499 B12R0.5 C=CCCCCCCSCCC=C 62a_100011215473_100000754431 [0,0,0,0,0,0|2,0,2]=4 500 B12R0.5 C=CCCCCCCSCCCC 62a_100000210211_100011215473 [0,0,0,0,0,0|2,0,0]=2 501 B12R0.5 C=CCCCCCCSCCCC 62a_100011215473_100000210210 [0,0,0,0,0,0|2,0,0]=2 502 B12R0.5 C=CCCCCCCSCCCF 62a_100011215473_100011934791 [0,0,0,0,0,0|3,0,0]=3 503 B12R0.5 C=CCCCCCCSCCCF 62a_100011934791_100011215473 [0,0,0,0,0,0|3,0,0]=3 504 B12R0.5 C=CCCCCCCSCCCO 62a_100011215043_100011215473 [0,0,0,0,0,0|3,0,0]=3 505 B12R0.5 C=CCCCCCCSCCCO 62a_100011215473_100011215043 [0,0,0,0,0,0|3,0,0]=3 506 B12R0.5 C=CCCCCCCSCCOC 62a_100000233755_100011215473 [0,0,0,0,0,0|3,0,0]=3 507 B12R0.5 C=CCCCCCCSCCOC 62a_100011215473_100000233755 [0,0,0,0,0,0|3,0,0]=3 508 B12R0.5 C=CCCCCCCSCCSC 62a_100000212216_100011215473 [0,0,0,0,0,0|3,0,0]=3 509 B12R0.5 C=CCCCCCCSCCSC 62a_100011215473_100000751147 [0,0,0,0,0,0|3,0,0]=3 510 B12R0.5 C=CCCCCCCSCOCC 62a_100000739092_100011215473 [0,0,0,0,0,0|3,0,0]=3 511 B12R0.5 C=CCCCCCCSCOCC 62a_100011215473_100000739092 [0,0,0,0,0,0|3,0,0]=3 512 B12R0.5 C=CCCCCCNCCCC=C 2230a_100000700776_100000700193 [0,0,0,0,0,0|2,0,2]=4 513 B12R0.5 C=CCCCCCNCCCC=C 34a_100000700776_100000700193 [0,0,0,0,0,0|2,0,2]=4 514 B12R0.5 C=CCCCCCNCCCCC 2230a_100000209983_100000700193 [0,0,0,0,0,0|2,0,0]=2 515 B12R0.5 C=CCCCCCNCCCCO 2230a_100000750430_100000700193 [0,0,0,0,0,0|3,0,0]=3 516 B12R0.5 C=CCCCCCNCCCCO 34a_100000750430_100000700193 [0,0,0,0,0,0|3,0,0]=3 517 B12R0.5 C=CCCCCCNCCCOC 34a_100150723488_100000700193 [0,0,0,0,0,0|3,0,0]=3 518 B12R0.5 C=CCCCCCNCCCSC 2230a_100000749238_100000700193 [0,0,0,0,0,0|3,0,0]=3 519 B12R0.5 C=CCCCCCNCCOCC 2230a_102516460346_100000700193 [0,0,0,0,0,0|3,0,0]=3 520 B12R0.5 C=CCCCCCNCCOCC 34a_102516460346_100000700193 [0,0,0,0,0,0|3,0,0]=3 521 B12R0.5 C=CCCCCCNCCSCC 2230a_100000106463_100000700193 [0,0,0,0,0,0|3,0,0]=3 522 B12R0.5 C=CCCCCCOC/C=C\CC 34a_100011216702_100103147603 [0,0,0,0,0,0|2,0,2]=4 523 B12R0.5 C=CCCCCCOC/C=C\CC 34a_100016268518_100000700193 [0,0,0,0,0,0|2,0,2]=4 524 B12R0.5 C=CCCCCCOC/C=C\CC 7a_100011216702_100103147603 [0,0,0,0,0,0|2,0,2]=4 525 B12R0.5 C=CCCCCCOCC#CCC 34a_100000032950_100000700193 [0,0,0,0,0,0|2,0,2]=4 526 B12R0.5 C=CCCCCCOCC#CCC 34a_100011216702_100009813939 [0,0,0,0,0,0|2,0,2]=4 527 B12R0.5 C=CCCCCCOCC#CCC 7a_100011216702_100009813939 [0,0,0,0,0,0|2,0,2]=4 528 B12R0.5 C=CCCCCCOCC/C=C/C 34a_100016278192_100000700193 [0,0,0,0,0,0|2,0,2]=4 529 B12R0.5 C=CCCCCCOCCC#CC 34a_100000750427_100000700193 [0,0,0,0,0,0|2,0,2]=4 530 B12R0.5 C=CCCCCCOCCCC#N 7a_100011216702_100000687738 [0,0,0,0,0,0|3,0,1]=4 531 B12R0.5 C=CCCCCCOCCCC=C 34a_100000758997_100000700193 [0,0,0,0,0,0|2,0,2]=4 532 B12R0.5 C=CCCCCCOCCCC=C 34a_100011216702_100000757094 [0,0,0,0,0,0|2,0,2]=4 533 B12R0.5 C=CCCCCCOCCCC=C 7a_100000758997_100000700193 [0,0,0,0,0,0|2,0,2]=4 534 B12R0.5 C=CCCCCCOCCCC=C 7a_100011216702_100000757094 [0,0,0,0,0,0|2,0,2]=4 535 B12R0.5 C=CCCCCCOCCCC=O 7a_100011216702_200011292268 [0,0,0,0,0,0|1,0,2]=3 536 B12R0.5 C=CCCCCCOCCCCBr 34a_100011216708_100000700193 [0,0,0,0,0,0|3,0,0]=3 537 B12R0.5 C=CCCCCCOCCCCC 34a_100000210253_100000700193 [0,0,0,0,0,0|2,0,0]=2 538 B12R0.5 C=CCCCCCOCCCCC 34a_100011216702_100000718602 [0,0,0,0,0,0|2,0,0]=2 539 B12R0.5 C=CCCCCCOCCCCC 7a_100000210253_100000700193 [0,0,0,0,0,0|2,0,0]=2 540 B12R0.5 C=CCCCCCOCCCCC 7a_100011216702_100000210326 [0,0,0,0,0,0|2,0,0]=2 541 B12R0.5 C=CCCCCCOCCCCCl 34a_100000210776_100000700193 [0,0,0,0,0,0|3,0,0]=3 542 B12R0.5 C=CCCCCCOCCCCCl 7a_100000210776_100000700193 [0,0,0,0,0,0|3,0,0]=3 543 B12R0.5 C=CCCCCCOCCCCF 34a_100011216702_100000729493 [0,0,0,0,0,0|3,0,0]=3 544 B12R0.5 C=CCCCCCOCCCCF 34a_100011995726_100000700193 [0,0,0,0,0,0|3,0,0]=3 545 B12R0.5 C=CCCCCCOCCCCF 7a_100011216702_100000729493 [0,0,0,0,0,0|3,0,0]=3 546 B12R0.5 C=CCCCCCOCCCCF 7a_100011995726_100000700193 [0,0,0,0,0,0|3,0,0]=3 547 B12R0.5 C=CCCCCCOCCCCI 34a_200012148704_100000700193 [0,0,0,0,0,0|3,0,0]=3 548 B12R0.5 C=CCCCCCOCCCCN 34a_100000750430_100000700193 [0,0,0,0,0,0|3,0,0]=3 549 B12R0.5 C=CCCCCCOCCCCO 34a_100011216702_100011216708 [0,0,0,0,0,0|3,0,0]=3 550 B12R0.5 C=CCCCCCOCCCCO 7a_100011216702_100000210776 [0,0,0,0,0,0|3,0,0]=3 551 B12R0.5 C=CCCCCCOCCCNC 34a_100000213112_100000700193 [0,0,0,0,0,0|3,0,0]=3 552 B12R0.5 C=CCCCCCOCCCOC 34a_100000740835_100000700193 [0,0,0,0,0,0|3,0,0]=3 553 B12R0.5 C=CCCCCCOCCCOC 34a_100011216702_100000740836 [0,0,0,0,0,0|3,0,0]=3 554 B12R0.5 C=CCCCCCOCCCOC 7a_100011216702_100000740836 [0,0,0,0,0,0|3,0,0]=3 555 B12R0.5 C=CCCCCCOCCCSC 34a_100000690336_100000700193 [0,0,0,0,0,0|3,0,0]=3 556 B12R0.5 C=CCCCCCOCCCSC 7a_100000690336_100000700193 [0,0,0,0,0,0|3,0,0]=3 557 B12R0.5 C=CCCCCCOCCOCC 34a_100000210136_100000700193 [0,0,0,0,0,0|3,0,0]=3 558 B12R0.5 C=CCCCCCOCCOCC 34a_100011216702_100000210147 [0,0,0,0,0,0|3,0,0]=3 559 B12R0.5 C=CCCCCCOCCOCC 7a_100000210136_100000700193 [0,0,0,0,0,0|3,0,0]=3 560 B12R0.5 C=CCCCCCOCCOCC 7a_100011216702_100011215890 [0,0,0,0,0,0|3,0,0]=3 561 B12R0.5 C=CCCCCCOCCSCC 34a_100000212035_100000700193 [0,0,0,0,0,0|3,0,0]=3 562 B12R0.5 C=CCCCCCOCCSCC 34a_100011216702_100000757381 [0,0,0,0,0,0|3,0,0]=3 563 B12R0.5 C=CCCCCCOCCSCC 7a_100000212035_100000700193 [0,0,0,0,0,0|3,0,0]=3 564 B12R0.5 C=CCCCCCOCCSCC 7a_100011216702_100000757381 [0,0,0,0,0,0|3,0,0]=3 565 B12R0.5 C=CCCCCCSC/C=C\CC 62a_100000700193_100103147603 [0,0,0,0,0,0|2,0,2]=4 566 B12R0.5 C=CCCCCCSC/C=C\CC 62a_100103147603_100000700193 [0,0,0,0,0,0|2,0,2]=4 567 B12R0.5 C=CCCCCCSCC#CCC 62a_100000700193_100009813939 [0,0,0,0,0,0|2,0,2]=4 568 B12R0.5 C=CCCCCCSCC#CCC 62a_100009813939_100000700193 [0,0,0,0,0,0|2,0,2]=4 569 B12R0.5 C=CCCCCCSCCCC#N 62a_100000687738_100000700193 [0,0,0,0,0,0|3,0,1]=4 570 B12R0.5 C=CCCCCCSCCCC#N 62a_100000700193_100000687738 [0,0,0,0,0,0|3,0,1]=4 571 B12R0.5 C=CCCCCCSCCCC=C 62a_100000700193_100000757094 [0,0,0,0,0,0|2,0,2]=4 572 B12R0.5 C=CCCCCCSCCCC=C 62a_100011713584_100000700193 [0,0,0,0,0,0|2,0,2]=4 573 B12R0.5 C=CCCCCCSCCCC=O 62a_100000700193_200011292268 [0,0,0,0,0,0|1,0,2]=3 574 B12R0.5 C=CCCCCCSCCCC=O 62a_200011292268_100000700193 [0,0,0,0,0,0|1,0,2]=3 575 B12R0.5 C=CCCCCCSCCCCC 62a_100000210326_100000700193 [0,0,0,0,0,0|2,0,0]=2 576 B12R0.5 C=CCCCCCSCCCCC 62a_100000700193_100000210326 [0,0,0,0,0,0|2,0,0]=2 577 B12R0.5 C=CCCCCCSCCCCF 62a_100000700193_100000729493 [0,0,0,0,0,0|3,0,0]=3 578 B12R0.5 C=CCCCCCSCCCCF 62a_100000729493_100000700193 [0,0,0,0,0,0|3,0,0]=3 579 B12R0.5 C=CCCCCCSCCCCO 62a_100000210776_100000700193 [0,0,0,0,0,0|3,0,0]=3 580 B12R0.5 C=CCCCCCSCCCCO 62a_100000700193_100000210776 [0,0,0,0,0,0|3,0,0]=3 581 B12R0.5 C=CCCCCCSCCCOC 62a_100000700193_100000709357 [0,0,0,0,0,0|3,0,0]=3 582 B12R0.5 C=CCCCCCSCCCOC 62a_100000709357_100000700193 [0,0,0,0,0,0|3,0,0]=3 583 B12R0.5 C=CCCCCCSCCOCC 62a_100000210147_100000700193 [0,0,0,0,0,0|3,0,0]=3 584 B12R0.5 C=CCCCCCSCCOCC 62a_100000700193_100011215890 [0,0,0,0,0,0|3,0,0]=3 585 B12R0.5 C=CCCCCCSCCSCC 62a_100000700193_100000757381 [0,0,0,0,0,0|3,0,0]=3 586 B12R0.5 C=CCCCCCSCCSCC 62a_100000757381_100000700193 [0,0,0,0,0,0|3,0,0]=3 587 B12R0.5 C=CCCCCNCC/C=C\CC 2230a_100000703577_100015370543 [0,0,0,0,0,0|2,0,2]=4 588 B12R0.5 C=CCCCCNCC/C=C\CC 34a_100000703577_100015370543 [0,0,0,0,0,0|2,0,2]=4 589 B12R0.5 C=CCCCCNCCCCC#N 2230a_100000703577_100000211819 [0,0,0,0,0,0|3,0,1]=4 590 B12R0.5 C=CCCCCNCCCCC=C 2230a_100000703577_100011215482 [0,0,0,0,0,0|2,0,2]=4 591 B12R0.5 C=CCCCCNCCCCC=C 34a_100000703577_100011215482 [0,0,0,0,0,0|2,0,2]=4 592 B12R0.5 C=CCCCCNCCCCC=O 2230a_100000703577_100000139335 [0,0,0,0,0,0|1,0,2]=3 593 B12R0.5 C=CCCCCNCCCCCC 2230a_100000210581_100011215482 [0,0,0,0,0,0|2,0,0]=2 594 B12R0.5 C=CCCCCNCCCCCC 2230a_100000703577_100000210314 [0,0,0,0,0,0|2,0,0]=2 595 B12R0.5 C=CCCCCNCCCCCC 34a_100000703577_100000210314 [0,0,0,0,0,0|2,0,0]=2 596 B12R0.5 C=CCCCCNCCCCCF 2230a_100000703577_100000729378 [0,0,0,0,0,0|3,0,0]=3 597 B12R0.5 C=CCCCCNCCCCCF 34a_100000703577_100000729378 [0,0,0,0,0,0|3,0,0]=3 598 B12R0.5 C=CCCCCNCCCCCO 2230a_100000703577_100000746330 [0,0,0,0,0,0|3,0,0]=3 599 B12R0.5 C=CCCCCNCCCCCO 2230a_100000762737_100011215482 [0,0,0,0,0,0|3,0,0]=3 600 B12R0.5 C=CCCCCNCCCCCO 34a_100000703577_100000746330 [0,0,0,0,0,0|3,0,0]=3 601 B12R0.5 C=CCCCCNCCCCCO 34a_100000762737_100011215482 [0,0,0,0,0,0|3,0,0]=3 602 B12R0.5 C=CCCCCNCCCCOC 2230a_100000703577_100000730899 [0,0,0,0,0,0|3,0,0]=3 603 B12R0.5 C=CCCCCNCCCCOC 34a_100000703577_100000755781 [0,0,0,0,0,0|3,0,0]=3 604 B12R0.5 C=CCCCCNCCCOCC 2230a_100000210961_100011215482 [0,0,0,0,0,0|3,0,0]=3 605 B12R0.5 C=CCCCCNCCCOCC 2230a_100000703577_100012232248 [0,0,0,0,0,0|3,0,0]=3 606 B12R0.5 C=CCCCCNCCCOCC 34a_100000210961_100011215482 [0,0,0,0,0,0|3,0,0]=3 607 B12R0.5 C=CCCCCNCCCOCC 34a_100000703577_100012232248 [0,0,0,0,0,0|3,0,0]=3 608 B12R0.5 C=CCCCCNCCOCCC 2230a_100000703577_100011215938 [0,0,0,0,0,0|3,0,0]=3 609 B12R0.5 C=CCCCCNCCOCCC 2230a_100161115042_100011215482 [0,0,0,0,0,0|3,0,0]=3 610 B12R0.5 C=CCCCCNCCOCCC 34a_100000703577_100011215938 [0,0,0,0,0,0|3,0,0]=3 611 B12R0.5 C=CCCCCNCCOCCC 34a_100161115042_100011215482 [0,0,0,0,0,0|3,0,0]=3 612 B12R0.5 C=CCCCCNCCOCCO 2230a_100000211614_100011215482 [0,0,0,0,0,0|4,0,0]=4 613 B12R0.5 C=CCCCCNCCOCCO 2230a_100000703577_100011215305 [0,0,0,0,0,0|4,0,0]=4 614 B12R0.5 C=CCCCCNCCOCCO 34a_100000211614_100011215482 [0,0,0,0,0,0|4,0,0]=4 615 B12R0.5 C=CCCCCNCCOCCO 34a_100000703577_100000692535 [0,0,0,0,0,0|4,0,0]=4 616 B12R0.5 C=CCCCCNCCSCCC 2230a_100020603323_100011215482 [0,0,0,0,0,0|3,0,0]=3 617 B12R0.5 C=CCCCCNCCSCCO 2230a_100011219999_100011215482 [0,0,0,0,0,0|4,0,0]=4 618 B12R0.5 C=CCCCCNCOCCCC 2230a_100000703577_100011995733 [0,0,0,0,0,0|3,0,0]=3 619 B12R0.5 C=CCCCCNCOCCCC 34a_100000703577_100011995733 [0,0,0,0,0,0|3,0,0]=3 620 B12R0.5 C=CCCCCNCOCCOC 2230a_100000703577_100000231047 [0,0,0,0,0,0|4,0,0]=4 621 B12R0.5 C=CCCCCOC/C=C/CCC 34a_100016278788_100011215482 [0,0,0,0,0,0|2,0,2]=4 622 B12R0.5 C=CCCCCOC/C=C/CCC 7a_100016278788_100011215482 [0,0,0,0,0,0|2,0,2]=4 623 B12R0.5 C=CCCCCOCC#CCCC 34a_100000034806_100011215482 [0,0,0,0,0,0|2,0,2]=4 624 B12R0.5 C=CCCCCOCC#CCCC 7a_100000034806_100011215482 [0,0,0,0,0,0|2,0,2]=4 625 B12R0.5 C=CCCCCOCC/C=C\CC 34a_100000766645_100015370543 [0,0,0,0,0,0|2,0,2]=4 626 B12R0.5 C=CCCCCOCC/C=C\CC 34a_100016288707_100011215482 [0,0,0,0,0,0|2,0,2]=4 627 B12R0.5 C=CCCCCOCC/C=C\CC 7a_100000766645_100015370543 [0,0,0,0,0,0|2,0,2]=4 628 B12R0.5 C=CCCCCOCC/C=C\CC 7a_100016288707_100011215482 [0,0,0,0,0,0|2,0,2]=4 629 B12R0.5 C=CCCCCOCCC#CCC 34a_100000036655_100011215482 [0,0,0,0,0,0|2,0,2]=4 630 B12R0.5 C=CCCCCOCCC#CCC 7a_100000036655_100011215482 [0,0,0,0,0,0|2,0,2]=4 631 B12R0.5 C=CCCCCOCCCC=CC 34a_100020645299_100011215482 [0,0,0,0,0,0|2,0,2]=4 632 B12R0.5 C=CCCCCOCCCCC#N 7a_100000766645_100000211819 [0,0,0,0,0,0|3,0,1]=4 633 B12R0.5 C=CCCCCOCCCCC=C 34a_100000766645_100011215482 [0,0,0,0,0,0|2,0,2]=4 634 B12R0.5 C=CCCCCOCCCCC=C 7a_100000766645_100011215482 [0,0,0,0,0,0|2,0,2]=4 635 B12R0.5 C=CCCCCOCCCCC=O 7a_100000766645_100000139335 [0,0,0,0,0,0|1,0,2]=3 636 B12R0.5 C=CCCCCOCCCCCBr 34a_100000746331_100011215482 [0,0,0,0,0,0|3,0,0]=3 637 B12R0.5 C=CCCCCOCCCCCBr 7a_100000746331_100011215482 [0,0,0,0,0,0|3,0,0]=3 638 B12R0.5 C=CCCCCOCCCCCC 34a_100000210259_100011215482 [0,0,0,0,0,0|2,0,0]=2 639 B12R0.5 C=CCCCCOCCCCCC 34a_100000766645_100000210314 [0,0,0,0,0,0|2,0,0]=2 640 B12R0.5 C=CCCCCOCCCCCC 7a_100000210259_100011215482 [0,0,0,0,0,0|2,0,0]=2 641 B12R0.5 C=CCCCCOCCCCCC 7a_100000766645_100000210314 [0,0,0,0,0,0|2,0,0]=2 642 B12R0.5 C=CCCCCOCCCCCCl 34a_100000746330_100011215482 [0,0,0,0,0,0|3,0,0]=3 643 B12R0.5 C=CCCCCOCCCCCCl 7a_100000746330_100011215482 [0,0,0,0,0,0|3,0,0]=3 644 B12R0.5 C=CCCCCOCCCCCF 34a_100000766645_100000729378 [0,0,0,0,0,0|3,0,0]=3 645 B12R0.5 C=CCCCCOCCCCCF 7a_100000766645_100000729378 [0,0,0,0,0,0|3,0,0]=3 646 B12R0.5 C=CCCCCOCCCCCI 34a_200012148887_100011215482 [0,0,0,0,0,0|3,0,0]=3 647 B12R0.5 C=CCCCCOCCCCCI 7a_200012148887_100011215482 [0,0,0,0,0,0|3,0,0]=3 648 B12R0.5 C=CCCCCOCCCCCN 34a_100000762737_100011215482 [0,0,0,0,0,0|3,0,0]=3 649 B12R0.5 C=CCCCCOCCCCCO 34a_100000766645_100000746330 [0,0,0,0,0,0|3,0,0]=3 650 B12R0.5 C=CCCCCOCCCCCO 7a_100000766645_100000746330 [0,0,0,0,0,0|3,0,0]=3 651 B12R0.5 C=CCCCCOCCCCOC 34a_100000740925_100011215482 [0,0,0,0,0,0|3,0,0]=3 652 B12R0.5 C=CCCCCOCCCCOC 34a_100000766645_100000755781 [0,0,0,0,0,0|3,0,0]=3 653 B12R0.5 C=CCCCCOCCCCOC 7a_100000766645_100000730899 [0,0,0,0,0,0|3,0,0]=3 654 B12R0.5 C=CCCCCOCCCCSC 34a_100011217163_100011215482 [0,0,0,0,0,0|3,0,0]=3 655 B12R0.5 C=CCCCCOCCCCSC 7a_100011217163_100011215482 [0,0,0,0,0,0|3,0,0]=3 656 B12R0.5 C=CCCCCOCCCOCC 34a_100000757476_100011215482 [0,0,0,0,0,0|3,0,0]=3 657 B12R0.5 C=CCCCCOCCCOCC 34a_100000766645_100012232248 [0,0,0,0,0,0|3,0,0]=3 658 B12R0.5 C=CCCCCOCCCOCC 7a_100000757476_100011215482 [0,0,0,0,0,0|3,0,0]=3 659 B12R0.5 C=CCCCCOCCCOCC 7a_100000766645_100012232248 [0,0,0,0,0,0|3,0,0]=3 660 B12R0.5 C=CCCCCOCCCSCC 34a_100011216438_100011215482 [0,0,0,0,0,0|3,0,0]=3 661 B12R0.5 C=CCCCCOCCCSCC 7a_100011216438_100011215482 [0,0,0,0,0,0|3,0,0]=3 662 B12R0.5 C=CCCCCOCCOCCBr 34a_100000692535_100011215482 [0,0,0,0,0,0|4,0,0]=4 663 B12R0.5 C=CCCCCOCCOCCBr 7a_100000692535_100011215482 [0,0,0,0,0,0|4,0,0]=4 664 B12R0.5 C=CCCCCOCCOCCC 34a_100000752267_100011215482 [0,0,0,0,0,0|3,0,0]=3 665 B12R0.5 C=CCCCCOCCOCCC 34a_100000766645_100011215938 [0,0,0,0,0,0|3,0,0]=3 666 B12R0.5 C=CCCCCOCCOCCC 7a_100000752267_100011215482 [0,0,0,0,0,0|3,0,0]=3 667 B12R0.5 C=CCCCCOCCOCCC 7a_100000766645_100011215938 [0,0,0,0,0,0|3,0,0]=3 668 B12R0.5 C=CCCCCOCCOCCCl 34a_100011215305_100011215482 [0,0,0,0,0,0|4,0,0]=4 669 B12R0.5 C=CCCCCOCCOCCCl 7a_100011215305_100011215482 [0,0,0,0,0,0|4,0,0]=4 670 B12R0.5 C=CCCCCOCCOCCF 34a_200015357709_100011215482 [0,0,0,0,0,0|4,0,0]=4 671 B12R0.5 C=CCCCCOCCOCCF 7a_200015357709_100011215482 [0,0,0,0,0,0|4,0,0]=4 672 B12R0.5 C=CCCCCOCCOCCI 34a_100012149058_100011215482 [0,0,0,0,0,0|4,0,0]=4 673 B12R0.5 C=CCCCCOCCOCCI 7a_100012149058_100011215482 [0,0,0,0,0,0|4,0,0]=4 674 B12R0.5 C=CCCCCOCCOCCN 34a_100000211614_100011215482 [0,0,0,0,0,0|4,0,0]=4 675 B12R0.5 C=CCCCCOCCOCCO 34a_100000766645_100000692535 [0,0,0,0,0,0|4,0,0]=4 676 B12R0.5 C=CCCCCOCCOCCO 7a_100000766645_100011215305 [0,0,0,0,0,0|4,0,0]=4 677 B12R0.5 C=CCCCCOCCSCCC 34a_200000230433_100011215482 [0,0,0,0,0,0|3,0,0]=3 678 B12R0.5 C=CCCCCOCCSCCC 7a_200000230433_100011215482 [0,0,0,0,0,0|3,0,0]=3 679 B12R0.5 C=CCCCCOCOCCCC 34a_100000766645_100011995733 [0,0,0,0,0,0|3,0,0]=3 680 B12R0.5 C=CCCCCSCC/C=C\CC 62a_100011215482_100015370543 [0,0,0,0,0,0|2,0,2]=4 681 B12R0.5 C=CCCCCSCC/C=C\CC 62a_100015370543_100011215482 [0,0,0,0,0,0|2,0,2]=4 682 B12R0.5 C=CCCCCSCCCCC#N 62a_100011215482_100000211819 [0,0,0,0,0,0|3,0,1]=4 683 B12R0.5 C=CCCCCSCCCCC#N 62a_100011219923_100011215482 [0,0,0,0,0,0|3,0,1]=4 684 B12R0.5 C=CCCCCSCCCCC=C 62a_100011215482_100011215482 [0,0,0,0,0,0|2,0,2]=4 685 B12R0.5 C=CCCCCSCCCCC=O 62a_100000139335_100011215482 [0,0,0,0,0,0|1,0,2]=3 686 B12R0.5 C=CCCCCSCCCCC=O 62a_100011215482_100000139335 [0,0,0,0,0,0|1,0,2]=3 687 B12R0.5 C=CCCCCSCCCCCC 62a_100000210314_100011215482 [0,0,0,0,0,0|2,0,0]=2 688 B12R0.5 C=CCCCCSCCCCCC 62a_100011215482_100000210757 [0,0,0,0,0,0|2,0,0]=2 689 B12R0.5 C=CCCCCSCCCCCF 62a_100000729378_100011215482 [0,0,0,0,0,0|3,0,0]=3 690 B12R0.5 C=CCCCCSCCCCCF 62a_100011215482_100000729378 [0,0,0,0,0,0|3,0,0]=3 691 B12R0.5 C=CCCCCSCCCCCO 62a_100000746330_100011215482 [0,0,0,0,0,0|3,0,0]=3 692 B12R0.5 C=CCCCCSCCCCCO 62a_100011215482_100000746330 [0,0,0,0,0,0|3,0,0]=3 693 B12R0.5 C=CCCCCSCCCCOC 62a_100000730899_100011215482 [0,0,0,0,0,0|3,0,0]=3 694 B12R0.5 C=CCCCCSCCCCOC 62a_100011215482_100000730899 [0,0,0,0,0,0|3,0,0]=3 695 B12R0.5 C=CCCCCSCCCOCC 62a_100011215482_100012232248 [0,0,0,0,0,0|3,0,0]=3 696 B12R0.5 C=CCCCCSCCCOCC 62a_100012232248_100011215482 [0,0,0,0,0,0|3,0,0]=3 697 B12R0.5 C=CCCCCSCCOCCC 62a_100011215482_100011215938 [0,0,0,0,0,0|3,0,0]=3 698 B12R0.5 C=CCCCCSCCOCCC 62a_100011215938_100011215482 [0,0,0,0,0,0|3,0,0]=3 699 B12R0.5 C=CCCCCSCCOCCO 62a_100011215305_100011215482 [0,0,0,0,0,0|4,0,0]=4 700 B12R0.5 C=CCCCCSCCOCCO 62a_100011215482_100011215305 [0,0,0,0,0,0|4,0,0]=4 701 B12R0.5 C=CCCCCSCOCCCC 62a_100011215482_100011995733 [0,0,0,0,0,0|3,0,0]=3 702 B12R0.5 C=CCCCCSCOCCCC 62a_100011995733_100011215482 [0,0,0,0,0,0|3,0,0]=3 703 B12R0.5 C=CCCCCSCOCCOC 62a_100000231047_100011215482 [0,0,0,0,0,0|4,0,0]=4 704 B12R0.5 C=CCCCCSCOCCOC 62a_100011215482_100000231047 [0,0,0,0,0,0|4,0,0]=4 705 B12R0.5 C=CCCCNCCCCCC#N 2230a_100000700776_100009813376 [0,0,0,0,0,0|3,0,1]=4 706 B12R0.5 C=CCCCNCCCCCC=O 2230a_100000700776_100000139337 [0,0,0,0,0,0|1,0,2]=3 707 B12R0.5 C=CCCCNCCCCCCC 2230a_100000229938_100011713584 [0,0,0,0,0,0|2,0,0]=2 708 B12R0.5 C=CCCCNCCCCCCC 2230a_100000700776_100000210681 [0,0,0,0,0,0|2,0,0]=2 709 B12R0.5 C=CCCCNCCCCCCC 34a_100000700776_100000210614 [0,0,0,0,0,0|2,0,0]=2 710 B12R0.5 C=CCCCNCCCCCCF 2230a_100000700776_100015922095 [0,0,0,0,0,0|3,0,0]=3 711 B12R0.5 C=CCCCNCCCCCCF 34a_100000700776_100015922095 [0,0,0,0,0,0|3,0,0]=3 712 B12R0.5 C=CCCCNCCCCCCO 2230a_100000686447_100011713584 [0,0,0,0,0,0|3,0,0]=3 713 B12R0.5 C=CCCCNCCCCCCO 2230a_100000700776_100000766143 [0,0,0,0,0,0|3,0,0]=3 714 B12R0.5 C=CCCCNCCCCCCO 34a_100000686447_100000757094 [0,0,0,0,0,0|3,0,0]=3 715 B12R0.5 C=CCCCNCCCCCCO 34a_100000700776_100000766143 [0,0,0,0,0,0|3,0,0]=3 716 B12R0.5 C=CCCCNCCCCCOC 2230a_100000747528_100011713584 [0,0,0,0,0,0|3,0,0]=3 717 B12R0.5 C=CCCCNCCCCCOC 34a_100000747528_100000757094 [0,0,0,0,0,0|3,0,0]=3 718 B12R0.5 C=CCCCNCCCOCCC 2230a_100011217757_100011713584 [0,0,0,0,0,0|3,0,0]=3 719 B12R0.5 C=CCCCNCCCOCCC 34a_100011217757_100000757094 [0,0,0,0,0,0|3,0,0]=3 720 B12R0.5 C=CCCCNCCOCCCC 2230a_100000700776_100000743108 [0,0,0,0,0,0|3,0,0]=3 721 B12R0.5 C=CCCCNCCOCCCC 34a_100000700776_100000743108 [0,0,0,0,0,0|3,0,0]=3 722 B12R0.5 C=CCCCNCCOCCOC 2230a_100000700776_100000695917 [0,0,0,0,0,0|4,0,0]=4 723 B12R0.5 C=CCCCNCCOCCOC 2230a_100000745349_100011713584 [0,0,0,0,0,0|4,0,0]=4 724 B12R0.5 C=CCCCNCCOCCOC 34a_100000700776_100000695917 [0,0,0,0,0,0|4,0,0]=4 725 B12R0.5 C=CCCCNCCOCCOC 34a_100000745349_100000757094 [0,0,0,0,0,0|4,0,0]=4 726 B12R0.5 C=CCCCNCCSCCCC 2230a_100025743550_100011713584 [0,0,0,0,0,0|3,0,0]=3 727 B12R0.5 C=CCCCOC/C=C/CCCC 34a_200016272032_100000757094 [0,0,0,0,0,0|2,0,2]=4 728 B12R0.5 C=CCCCOC/C=C/CCCC 7a_200016272032_100000757094 [0,0,0,0,0,0|2,0,2]=4 729 B12R0.5 C=CCCCOCC#CCCCC 34a_200000034558_100000757094 [0,0,0,0,0,0|2,0,2]=4 730 B12R0.5 C=CCCCOCC#CCCCC 7a_200000034558_100000757094 [0,0,0,0,0,0|2,0,2]=4 731 B12R0.5 C=CCCCOCCC#CCCC 34a_100000042726_100000757094 [0,0,0,0,0,0|2,0,2]=4 732 B12R0.5 C=CCCCOCCC#CCCC 7a_100000042726_100000757094 [0,0,0,0,0,0|2,0,2]=4 733 B12R0.5 C=CCCCOCCC/C=C/CC 34a_100016287902_100000757094 [0,0,0,0,0,0|2,0,2]=4 734 B12R0.5 C=CCCCOCCC/C=C/CC 7a_100016287902_100000757094 [0,0,0,0,0,0|2,0,2]=4 735 B12R0.5 C=CCCCOCCCCCC#N 7a_100000758997_100009813376 [0,0,0,0,0,0|3,0,1]=4 736 B12R0.5 C=CCCCOCCCCCC=O 7a_100000758997_100000139337 [0,0,0,0,0,0|1,0,2]=3 737 B12R0.5 C=CCCCOCCCCCCBr 34a_100011215345_100000757094 [0,0,0,0,0,0|3,0,0]=3 738 B12R0.5 C=CCCCOCCCCCCBr 7a_100011215345_100000757094 [0,0,0,0,0,0|3,0,0]=3 739 B12R0.5 C=CCCCOCCCCCCC 34a_100000210272_100000757094 [0,0,0,0,0,0|2,0,0]=2 740 B12R0.5 C=CCCCOCCCCCCC 34a_100000758997_100000210614 [0,0,0,0,0,0|2,0,0]=2 741 B12R0.5 C=CCCCOCCCCCCC 7a_100000210272_100000757094 [0,0,0,0,0,0|2,0,0]=2 742 B12R0.5 C=CCCCOCCCCCCC 7a_100000758997_100000210614 [0,0,0,0,0,0|2,0,0]=2 743 B12R0.5 C=CCCCOCCCCCCCl 34a_100000766143_100000757094 [0,0,0,0,0,0|3,0,0]=3 744 B12R0.5 C=CCCCOCCCCCCCl 7a_100000766143_100000757094 [0,0,0,0,0,0|3,0,0]=3 745 B12R0.5 C=CCCCOCCCCCCF 34a_100000732779_100000757094 [0,0,0,0,0,0|3,0,0]=3 746 B12R0.5 C=CCCCOCCCCCCF 34a_100000758997_100015922095 [0,0,0,0,0,0|3,0,0]=3 747 B12R0.5 C=CCCCOCCCCCCF 7a_100000732779_100000757094 [0,0,0,0,0,0|3,0,0]=3 748 B12R0.5 C=CCCCOCCCCCCF 7a_100000758997_100015922095 [0,0,0,0,0,0|3,0,0]=3 749 B12R0.5 C=CCCCOCCCCCCN 34a_100000686447_100000757094 [0,0,0,0,0,0|3,0,0]=3 750 B12R0.5 C=CCCCOCCCCCCO 34a_100000758997_100000766143 [0,0,0,0,0,0|3,0,0]=3 751 B12R0.5 C=CCCCOCCCCCCO 7a_100000758997_100000766143 [0,0,0,0,0,0|3,0,0]=3 752 B12R0.5 C=CCCCOCCCCCNC 34a_100000722520_100000757094 [0,0,0,0,0,0|3,0,0]=3 753 B12R0.5 C=CCCCOCCOCCCC 34a_100000210238_100000757094 [0,0,0,0,0,0|3,0,0]=3 754 B12R0.5 C=CCCCOCCOCCCC 34a_100000758997_100000743108 [0,0,0,0,0,0|3,0,0]=3 755 B12R0.5 C=CCCCOCCOCCCC 7a_100000210238_100000757094 [0,0,0,0,0,0|3,0,0]=3 756 B12R0.5 C=CCCCOCCOCCCC 7a_100000758997_100000743108 [0,0,0,0,0,0|3,0,0]=3 757 B12R0.5 C=CCCCOCCOCCNC 34a_100000228057_100000757094 [0,0,0,0,0,0|4,0,0]=4 758 B12R0.5 C=CCCCOCCOCCOC 34a_100000758997_100000695917 [0,0,0,0,0,0|4,0,0]=4 759 B12R0.5 C=CCCCOCCOCCOC 34a_100011215163_100000757094 [0,0,0,0,0,0|4,0,0]=4 760 B12R0.5 C=CCCCOCCOCCOC 7a_100000758997_100000695917 [0,0,0,0,0,0|4,0,0]=4 761 B12R0.5 C=CCCCOCCOCCOC 7a_100011215163_100000757094 [0,0,0,0,0,0|4,0,0]=4 762 B12R0.5 C=CCCCOCCSCCCC 34a_200000230436_100000757094 [0,0,0,0,0,0|3,0,0]=3 763 B12R0.5 C=CCCCOCCSCCCC 7a_200000230436_100000757094 [0,0,0,0,0,0|3,0,0]=3 764 B12R0.5 C=CCCCSCCCCCC#N 62a_100009813376_100000757094 [0,0,0,0,0,0|3,0,1]=4 765 B12R0.5 C=CCCCSCCCCCC#N 62a_100011713584_100009813376 [0,0,0,0,0,0|3,0,1]=4 766 B12R0.5 C=CCCCSCCCCCC=O 62a_100000139337_100000757094 [0,0,0,0,0,0|1,0,2]=3 767 B12R0.5 C=CCCCSCCCCCC=O 62a_100011713584_100000139337 [0,0,0,0,0,0|1,0,2]=3 768 B12R0.5 C=CCCCSCCCCCCC 62a_100000210614_100000757094 [0,0,0,0,0,0|2,0,0]=2 769 B12R0.5 C=CCCCSCCCCCCC 62a_100011713584_100000210316 [0,0,0,0,0,0|2,0,0]=2 770 B12R0.5 C=CCCCSCCCCCCF 62a_100011713584_100015922095 [0,0,0,0,0,0|3,0,0]=3 771 B12R0.5 C=CCCCSCCCCCCF 62a_100015922095_100000757094 [0,0,0,0,0,0|3,0,0]=3 772 B12R0.5 C=CCCCSCCCCCCO 62a_100000766143_100000757094 [0,0,0,0,0,0|3,0,0]=3 773 B12R0.5 C=CCCCSCCCCCCO 62a_100011713584_100000766143 [0,0,0,0,0,0|3,0,0]=3 774 B12R0.5 C=CCCCSCCOCCCC 62a_100000743108_100000757094 [0,0,0,0,0,0|3,0,0]=3 775 B12R0.5 C=CCCCSCCOCCCC 62a_100011713584_100000743108 [0,0,0,0,0,0|3,0,0]=3 776 B12R0.5 C=CCCCSCCOCCOC 62a_100000695917_100000757094 [0,0,0,0,0,0|4,0,0]=4 777 B12R0.5 C=CCCCSCCOCCOC 62a_100011713584_100000695917 [0,0,0,0,0,0|4,0,0]=4 778 B12R0.5 C=CCCNCC#CCCCCC 2230a_100015191253_100009816472 [0,0,0,0,0,0|2,0,2]=4 779 B12R0.5 C=CCCNCCCCCCC#N 2230a_100015191253_100009813337 [0,0,0,0,0,0|3,0,1]=4 780 B12R0.5 C=CCCNCCCCCCCC 2230a_100000229939_100000754431 [0,0,0,0,0,0|2,0,0]=2 781 B12R0.5 C=CCCNCCCCCCCC 2230a_100015191253_100000210759 [0,0,0,0,0,0|2,0,0]=2 782 B12R0.5 C=CCCNCCCCCCCC 34a_100000229939_100000754431 [0,0,0,0,0,0|2,0,0]=2 783 B12R0.5 C=CCCNCCCCCCCO 2230a_100011996573_100000754431 [0,0,0,0,0,0|3,0,0]=3 784 B12R0.5 C=CCCNCCCCCCCO 2230a_100015191253_100000760002 [0,0,0,0,0,0|3,0,0]=3 785 B12R0.5 C=CCCNCCCCCCCO 34a_100011996573_100000754431 [0,0,0,0,0,0|3,0,0]=3 786 B12R0.5 C=CCCNCCCCCCOC 2230a_100015191253_100011998445 [0,0,0,0,0,0|3,0,0]=3 787 B12R0.5 C=CCCNCCCOCCCC 2230a_200000211371_100000754431 [0,0,0,0,0,0|3,0,0]=3 788 B12R0.5 C=CCCNCCCOCCCC 34a_200000211371_100000754431 [0,0,0,0,0,0|3,0,0]=3 789 B12R0.5 C=CCCNCCCOCCCO 2230a_100011310245_100000754431 [0,0,0,0,0,0|4,0,0]=4 790 B12R0.5 C=CCCNCCCOCCCO 34a_100011310245_100000754431 [0,0,0,0,0,0|4,0,0]=4 791 B12R0.5 C=CCCNCCCOCCOC 2230a_100000206027_100000754431 [0,0,0,0,0,0|4,0,0]=4 792 B12R0.5 C=CCCNCCCOCCOC 2230a_100015191253_100011216529 [0,0,0,0,0,0|4,0,0]=4 793 B12R0.5 C=CCCNCCCOCCOC 34a_100000206027_100000754431 [0,0,0,0,0,0|4,0,0]=4 794 B12R0.5 C=CCCNCCOCCOCC 2230a_100015191253_100011211534 [0,0,0,0,0,0|4,0,0]=4 795 B12R0.5 C=CCCNCCOCCOCC 2230a_100102712874_100000754431 [0,0,0,0,0,0|4,0,0]=4 796 B12R0.5 C=CCCNCCOCCOCC 34a_100102712874_100000754431 [0,0,0,0,0,0|4,0,0]=4 797 B12R0.5 C=CCCOC/C=C/CCCCC 34a_100016258190_100000754431 [0,0,0,0,0,0|2,0,2]=4 798 B12R0.5 C=CCCOC/C=C/CCCCC 7a_100016258190_100000754431 [0,0,0,0,0,0|2,0,2]=4 799 B12R0.5 C=CCCOCC#CCCCCC 34a_100011205117_100009816472 [0,0,0,0,0,0|2,0,2]=4 800 B12R0.5 C=CCCOCC#CCCCCC 34a_200000033628_100000754431 [0,0,0,0,0,0|2,0,2]=4 801 B12R0.5 C=CCCOCC#CCCCCC 7a_200000033628_100000754431 [0,0,0,0,0,0|2,0,2]=4 802 B12R0.5 C=CCCOCC/C=C\CCCC 34a_200016286491_100000754431 [0,0,0,0,0,0|2,0,2]=4 803 B12R0.5 C=CCCOCC/C=C\CCCC 7a_200016286491_100000754431 [0,0,0,0,0,0|2,0,2]=4 804 B12R0.5 C=CCCOCCC#CCCCC 34a_100000037610_100000754431 [0,0,0,0,0,0|2,0,2]=4 805 B12R0.5 C=CCCOCCC#CCCCC 7a_100000037610_100000754431 [0,0,0,0,0,0|2,0,2]=4 806 B12R0.5 C=CCCOCCCC/C=C\CC 34a_100016287862_100000754431 [0,0,0,0,0,0|2,0,2]=4 807 B12R0.5 C=CCCOCCCC/C=C\CC 7a_100016287862_100000754431 [0,0,0,0,0,0|2,0,2]=4 808 B12R0.5 C=CCCOCCCCCCCBr 34a_100000760002_100000754431 [0,0,0,0,0,0|3,0,0]=3 809 B12R0.5 C=CCCOCCCCCCCBr 7a_100000760002_100000754431 [0,0,0,0,0,0|3,0,0]=3 810 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [0,0,0,0,0,0|2,0,0]=2 811 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [0,0,0,0,0,0|2,0,0]=2 812 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [0,0,0,0,0,0|2,0,0]=2 813 B12R0.5 C=CCCOCCCCCCCN 34a_100011996573_100000754431 [0,0,0,0,0,0|3,0,0]=3 814 B12R0.5 C=CCCOCCCCCCCO 34a_100011205117_100000760002 [0,0,0,0,0,0|3,0,0]=3 815 B12R0.5 C=CCCOCCCCCCOC 34a_100011205117_100011998445 [0,0,0,0,0,0|3,0,0]=3 816 B12R0.5 C=CCCOCCCCCCOC 34a_200012092642_100000754431 [0,0,0,0,0,0|3,0,0]=3 817 B12R0.5 C=CCCOCCCCCCOC 7a_200012092642_100000754431 [0,0,0,0,0,0|3,0,0]=3 818 B12R0.5 C=CCCOCCCOCCCC 34a_200011215613_100000754431 [0,0,0,0,0,0|3,0,0]=3 819 B12R0.5 C=CCCOCCCOCCCC 7a_200011215613_100000754431 [0,0,0,0,0,0|3,0,0]=3 820 B12R0.5 C=CCCOCCCOCCCN 34a_100011310245_100000754431 [0,0,0,0,0,0|4,0,0]=4 821 B12R0.5 C=CCCOCCCOCCOC 34a_100011205117_100011216529 [0,0,0,0,0,0|4,0,0]=4 822 B12R0.5 C=CCCOCCNCCCCC 34a_100000224656_100000754431 [0,0,0,0,0,0|3,0,0]=3 823 B12R0.5 C=CCCOCCOCCCCC 34a_100011215259_100000754431 [0,0,0,0,0,0|3,0,0]=3 824 B12R0.5 C=CCCOCCOCCCCC 7a_100011215259_100000754431 [0,0,0,0,0,0|3,0,0]=3 825 B12R0.5 C=CCCOCCOCCOCC 34a_100000210240_100000754431 [0,0,0,0,0,0|4,0,0]=4 826 B12R0.5 C=CCCOCCOCCOCC 34a_100011205117_100011211534 [0,0,0,0,0,0|4,0,0]=4 827 B12R0.5 C=CCCOCCOCCOCC 7a_100000210240_100000754431 [0,0,0,0,0,0|4,0,0]=4 828 B12R0.5 C=CCCSCC#CCCCCC 62a_100000754431_100009816472 [0,0,0,0,0,0|2,0,2]=4 829 B12R0.5 C=CCCSCC#CCCCCC 62a_100009816472_100000754431 [0,0,0,0,0,0|2,0,2]=4 830 B12R0.5 C=CCCSCCCCCCC#N 62a_100000754431_100009813337 [0,0,0,0,0,0|3,0,1]=4 831 B12R0.5 C=CCCSCCCCCCC#N 62a_100009813337_100000754431 [0,0,0,0,0,0|3,0,1]=4 832 B12R0.5 C=CCCSCCCCCCCC 62a_100000210759_100000754431 [0,0,0,0,0,0|2,0,0]=2 833 B12R0.5 C=CCCSCCCCCCCC 62a_100000754431_100000210317 [0,0,0,0,0,0|2,0,0]=2 834 B12R0.5 C=CCCSCCCCCCCO 62a_100000754431_100000760002 [0,0,0,0,0,0|3,0,0]=3 835 B12R0.5 C=CCCSCCCCCCCO 62a_100000760002_100000754431 [0,0,0,0,0,0|3,0,0]=3 836 B12R0.5 C=CCCSCCCCCCOC 62a_100000754431_100011998445 [0,0,0,0,0,0|3,0,0]=3 837 B12R0.5 C=CCCSCCCCCCOC 62a_100011998445_100000754431 [0,0,0,0,0,0|3,0,0]=3 838 B12R0.5 C=CCCSCCCOCCOC 62a_100000754431_100011216529 [0,0,0,0,0,0|4,0,0]=4 839 B12R0.5 C=CCCSCCCOCCOC 62a_100011216529_100000754431 [0,0,0,0,0,0|4,0,0]=4 840 B12R0.5 C=CCCSCCOCCOCC 62a_100000754431_100011211534 [0,0,0,0,0,0|4,0,0]=4 841 B12R0.5 C=CCCSCCOCCOCC 62a_100011211534_100000754431 [0,0,0,0,0,0|4,0,0]=4 842 B12R0.5 C=CCNCCCC#CCCCC 2230a_100020586998_200000047210 [0,0,0,0,0,0|2,0,2]=4 843 B12R0.5 C=CCNCCCCCCCCC 2230a_100000212291_100000210623 [0,0,0,0,0,0|2,0,0]=2 844 B12R0.5 C=CCNCCCCCCCCC 2230a_100020586998_100011214924 [0,0,0,0,0,0|2,0,0]=2 845 B12R0.5 C=CCNCCCCCCCCC 34a_100000212291_100015514636 [0,0,0,0,0,0|2,0,0]=2 846 B12R0.5 C=CCNCCCCCCCCO 2230a_100020586998_100000033203 [0,0,0,0,0,0|3,0,0]=3 847 B12R0.5 C=CCNCCCCCCCCO 2230a_102515433106_100000210623 [0,0,0,0,0,0|3,0,0]=3 848 B12R0.5 C=CCNCCCCCCCCO 34a_102515433106_100015514636 [0,0,0,0,0,0|3,0,0]=3 849 B12R0.5 C=CCNCCOCCOCCC 2230a_200011904461_100000210623 [0,0,0,0,0,0|4,0,0]=4 850 B12R0.5 C=CCNCCOCCOCCC 34a_200011904461_100015514636 [0,0,0,0,0,0|4,0,0]=4 851 B12R0.5 C=CCOC/C=C/CCCCCC 34a_200016276170_100015514636 [0,0,0,0,0,0|2,0,2]=4 852 B12R0.5 C=CCOC/C=C/CCCCCC 7a_200016276170_100015514636 [0,0,0,0,0,0|2,0,2]=4 853 B12R0.5 C=CCOCC#CCCCCCC 34a_200000037284_100015514636 [0,0,0,0,0,0|2,0,2]=4 854 B12R0.5 C=CCOCC#CCCCCCC 7a_200000037284_100015514636 [0,0,0,0,0,0|2,0,2]=4 855 B12R0.5 C=CCOCC/C=C\CCCCC 34a_100016277358_100015514636 [0,0,0,0,0,0|2,0,2]=4 856 B12R0.5 C=CCOCC/C=C\CCCCC 7a_100016277358_100015514636 [0,0,0,0,0,0|2,0,2]=4 857 B12R0.5 C=CCOCCC#CCCCCC 34a_200000042877_100015514636 [0,0,0,0,0,0|2,0,2]=4 858 B12R0.5 C=CCOCCC#CCCCCC 7a_200000042877_100015514636 [0,0,0,0,0,0|2,0,2]=4 859 B12R0.5 C=CCOCCCC#CCCCC 34a_200000210373_200000047210 [0,0,0,0,0,0|2,0,2]=4 860 B12R0.5 C=CCOCCCCC/C=C\CC 34a_100016268722_100015514636 [0,0,0,0,0,0|2,0,2]=4 861 B12R0.5 C=CCOCCCCC/C=C\CC 7a_100016268722_100015514636 [0,0,0,0,0,0|2,0,2]=4 862 B12R0.5 C=CCOCCCCCCCCBr 34a_100009813846_100015514636 [0,0,0,0,0,0|3,0,0]=3 863 B12R0.5 C=CCOCCCCCCCCBr 7a_100009813846_100015514636 [0,0,0,0,0,0|3,0,0]=3 864 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [0,0,0,0,0,0|2,0,0]=2 865 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [0,0,0,0,0,0|2,0,0]=2 866 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [0,0,0,0,0,0|2,0,0]=2 867 B12R0.5 C=CCOCCCCCCCCCl 34a_100000033203_100015514636 [0,0,0,0,0,0|3,0,0]=3 868 B12R0.5 C=CCOCCCCCCCCCl 7a_100000033203_100015514636 [0,0,0,0,0,0|3,0,0]=3 869 B12R0.5 C=CCOCCCCCCCCN 34a_102515433106_100015514636 [0,0,0,0,0,0|3,0,0]=3 870 B12R0.5 C=CCOCCCCCCCCO 34a_200000210373_100000033203 [0,0,0,0,0,0|3,0,0]=3 871 B12R0.5 C=CCOCCCCCNCCN 34a_103619048469_100015514636 [0,0,0,0,0,0|4,0,0]=4 872 B12R0.5 C=CCOCCCCNCCCC 34a_200011216965_100015514636 [0,0,0,0,0,0|3,0,0]=3 873 B12R0.5 C=CCOCCCCOCCCC 34a_200000760531_100015514636 [0,0,0,0,0,0|3,0,0]=3 874 B12R0.5 C=CCOCCCCOCCCC 7a_200000760531_100015514636 [0,0,0,0,0,0|3,0,0]=3 875 B12R0.5 C=CCOCCCOCCCOC 34a_200011215475_100015514636 [0,0,0,0,0,0|4,0,0]=4 876 B12R0.5 C=CCOCCCOCCCOC 7a_200011215475_100015514636 [0,0,0,0,0,0|4,0,0]=4 877 B12R0.5 C=CCOCCOCCCCC=O 7a_100000037705_100000139335 [0,0,0,0,0,0|2,0,2]=4 878 B12R0.5 C=CCOCCOCCCCCC 34a_100000037705_100000210314 [0,0,0,0,0,0|3,0,0]=3 879 B12R0.5 C=CCOCCOCCCCCC 34a_100000691444_100015514636 [0,0,0,0,0,0|3,0,0]=3 880 B12R0.5 C=CCOCCOCCCCCC 7a_100000037705_100000210314 [0,0,0,0,0,0|3,0,0]=3 881 B12R0.5 C=CCOCCOCCCCCC 7a_100000691444_100015514636 [0,0,0,0,0,0|3,0,0]=3 882 B12R0.5 C=CCOCCOCCCCCF 34a_100000037705_100000729378 [0,0,0,0,0,0|4,0,0]=4 883 B12R0.5 C=CCOCCOCCCCCF 7a_100000037705_100000729378 [0,0,0,0,0,0|4,0,0]=4 884 B12R0.5 C=CCOCCOCCCCCO 34a_100000037705_100000746330 [0,0,0,0,0,0|4,0,0]=4 885 B12R0.5 C=CCOCCOCCCCCO 7a_100000037705_100000746330 [0,0,0,0,0,0|4,0,0]=4 886 B12R0.5 C=CCOCCOCCCCOC 34a_100000037705_100000755781 [0,0,0,0,0,0|4,0,0]=4 887 B12R0.5 C=CCOCCOCCCCOC 7a_100000037705_100000730899 [0,0,0,0,0,0|4,0,0]=4 888 B12R0.5 C=CCOCCOCCCOCC 34a_100000037705_100012232248 [0,0,0,0,0,0|4,0,0]=4 889 B12R0.5 C=CCOCCOCCCOCC 7a_100000037705_100012232248 [0,0,0,0,0,0|4,0,0]=4 890 B12R0.5 C=CCOCCOCCOCCC 34a_100000037705_100011215938 [0,0,0,0,0,0|4,0,0]=4 891 B12R0.5 C=CCOCCOCCOCCC 34a_100000065479_100000210303 [0,0,0,0,0,0|4,0,0]=4 892 B12R0.5 C=CCOCCOCCOCCC 7a_100000037705_100011215938 [0,0,0,0,0,0|4,0,0]=4 893 B12R0.5 C=CCOCCOCCOCCC 7a_100000065479_100000210303 [0,0,0,0,0,0|4,0,0]=4 894 B12R0.5 C=CCOCCOCOCCCC 34a_100000037705_100011995733 [0,0,0,0,0,0|4,0,0]=4 895 B12R0.5 C=CCSCCCC#CCCCC 62a_100000210623_200000047210 [0,0,0,0,0,0|2,0,2]=4 896 B12R0.5 C=CCSCCCC#CCCCC 62a_200000047210_100000210623 [0,0,0,0,0,0|2,0,2]=4 897 B12R0.5 C=CCSCCCCCCCCC 62a_100000210623_100000210670 [0,0,0,0,0,0|2,0,0]=2 898 B12R0.5 C=CCSCCCCCCCCO 62a_100000033203_100000210623 [0,0,0,0,0,0|3,0,0]=3 899 B12R0.5 C=CCSCCCCCCCCO 62a_100000210623_100000033203 [0,0,0,0,0,0|3,0,0]=3 900 B12R0.5 C=COCCCCOCCCC=O 7a_100000031558_200011292268 [0,0,0,0,0,0|2,0,2]=4 901 B12R0.5 C=COCCCCOCCCCC 34a_100000031558_100000718602 [0,0,0,0,0,0|3,0,0]=3 902 B12R0.5 C=COCCCCOCCCCC 7a_100000031558_100000210326 [0,0,0,0,0,0|3,0,0]=3 903 B12R0.5 C=COCCCCOCCCCF 34a_100000031558_100000729493 [0,0,0,0,0,0|4,0,0]=4 904 B12R0.5 C=COCCCCOCCCCF 7a_100000031558_100000729493 [0,0,0,0,0,0|4,0,0]=4 905 B12R0.5 C=COCCCCOCCCCO 34a_100000031558_100011216708 [0,0,0,0,0,0|4,0,0]=4 906 B12R0.5 C=COCCCCOCCCCO 7a_100000031558_100000210776 [0,0,0,0,0,0|4,0,0]=4 907 B12R0.5 C=COCCCCOCCCOC 34a_100000031558_100000740836 [0,0,0,0,0,0|4,0,0]=4 908 B12R0.5 C=COCCCCOCCCOC 7a_100000031558_100000740836 [0,0,0,0,0,0|4,0,0]=4 909 B12R0.5 C=COCCCCOCCOCC 34a_100000031558_100000210147 [0,0,0,0,0,0|4,0,0]=4 910 B12R0.5 C=COCCCCOCCOCC 7a_100000031558_100011215890 [0,0,0,0,0,0|4,0,0]=4 911 B12R0.5 C=COCCCCOCCSCC 34a_100000031558_100000757381 [0,0,0,0,0,0|4,0,0]=4 912 B12R0.5 C=COCCCCOCCSCC 7a_100000031558_100000757381 [0,0,0,0,0,0|4,0,0]=4 913 B12R0.5 C=COCCCNCCCCC=O 2230a_100000210767_100000139335 [0,0,0,0,0,0|2,0,2]=4 914 B12R0.5 C=COCCCNCCCCCC 2230a_100000210767_100000210314 [0,0,0,0,0,0|3,0,0]=3 915 B12R0.5 C=COCCCNCCCCCC 34a_100000210767_100000210314 [0,0,0,0,0,0|3,0,0]=3 916 B12R0.5 C=COCCCNCCCCCF 2230a_100000210767_100000729378 [0,0,0,0,0,0|4,0,0]=4 917 B12R0.5 C=COCCCNCCCCCF 34a_100000210767_100000729378 [0,0,0,0,0,0|4,0,0]=4 918 B12R0.5 C=COCCCNCCCCCO 2230a_100000210767_100000746330 [0,0,0,0,0,0|4,0,0]=4 919 B12R0.5 C=COCCCNCCCCCO 34a_100000210767_100000746330 [0,0,0,0,0,0|4,0,0]=4 920 B12R0.5 C=COCCCNCCCCOC 2230a_100000210767_100000730899 [0,0,0,0,0,0|4,0,0]=4 921 B12R0.5 C=COCCCNCCCCOC 34a_100000210767_100000755781 [0,0,0,0,0,0|4,0,0]=4 922 B12R0.5 C=COCCCNCCCOCC 2230a_100000210767_100012232248 [0,0,0,0,0,0|4,0,0]=4 923 B12R0.5 C=COCCCNCCCOCC 34a_100000210767_100012232248 [0,0,0,0,0,0|4,0,0]=4 924 B12R0.5 C=COCCCNCCOCCC 2230a_100000210767_100011215938 [0,0,0,0,0,0|4,0,0]=4 925 B12R0.5 C=COCCCNCCOCCC 34a_100000210767_100011215938 [0,0,0,0,0,0|4,0,0]=4 926 B12R0.5 C=COCCCNCOCCCC 2230a_100000210767_100011995733 [0,0,0,0,0,0|4,0,0]=4 927 B12R0.5 C=COCCCNCOCCCC 34a_100000210767_100011995733 [0,0,0,0,0,0|4,0,0]=4 928 B12R0.5 C=COCCNCCCCCCC 2230a_100000229938_100000039644 [0,0,0,0,0,0|3,0,0]=3 929 B12R0.5 C=COCCNCCCCCCO 2230a_100000686447_100000039644 [0,0,0,0,0,0|4,0,0]=4 930 B12R0.5 C=COCCNCCCCCCO 34a_100000686447_100000039644 [0,0,0,0,0,0|4,0,0]=4 931 B12R0.5 C=COCCNCCCCCOC 2230a_100000747528_100000039644 [0,0,0,0,0,0|4,0,0]=4 932 B12R0.5 C=COCCNCCCCCOC 34a_100000747528_100000039644 [0,0,0,0,0,0|4,0,0]=4 933 B12R0.5 C=COCCNCCCOCCC 2230a_100011217757_100000039644 [0,0,0,0,0,0|4,0,0]=4 934 B12R0.5 C=COCCNCCCOCCC 34a_100011217757_100000039644 [0,0,0,0,0,0|4,0,0]=4 935 B12R0.5 C=COCCNCCSCCCC 2230a_100025743550_100000039644 [0,0,0,0,0,0|4,0,0]=4 936 B12R0.5 C=COCCOCCCCCCBr 34a_100011215345_100000039644 [0,0,0,0,0,0|4,0,0]=4 937 B12R0.5 C=COCCOCCCCCCBr 7a_100011215345_100000039644 [0,0,0,0,0,0|4,0,0]=4 938 B12R0.5 C=COCCOCCCCCCC 34a_100000033082_100000210614 [0,0,0,0,0,0|3,0,0]=3 939 B12R0.5 C=COCCOCCCCCCC 34a_100000210272_100000039644 [0,0,0,0,0,0|3,0,0]=3 940 B12R0.5 C=COCCOCCCCCCC 7a_100000210272_100000039644 [0,0,0,0,0,0|3,0,0]=3 941 B12R0.5 C=COCCOCCCCCCCl 34a_100000766143_100000039644 [0,0,0,0,0,0|4,0,0]=4 942 B12R0.5 C=COCCOCCCCCCCl 7a_100000766143_100000039644 [0,0,0,0,0,0|4,0,0]=4 943 B12R0.5 C=COCCOCCCCCCF 34a_100000033082_100015922095 [0,0,0,0,0,0|4,0,0]=4 944 B12R0.5 C=COCCOCCCCCCF 34a_100000732779_100000039644 [0,0,0,0,0,0|4,0,0]=4 945 B12R0.5 C=COCCOCCCCCCF 7a_100000732779_100000039644 [0,0,0,0,0,0|4,0,0]=4 946 B12R0.5 C=COCCOCCCCCCN 34a_100000686447_100000039644 [0,0,0,0,0,0|4,0,0]=4 947 B12R0.5 C=COCCOCCCCCCO 34a_100000033082_100000766143 [0,0,0,0,0,0|4,0,0]=4 948 B12R0.5 C=COCCOCCCCCNC 34a_100000722520_100000039644 [0,0,0,0,0,0|4,0,0]=4 949 B12R0.5 C=COCCOCCOCCCC 34a_100000033082_100000743108 [0,0,0,0,0,0|4,0,0]=4 950 B12R0.5 C=COCCOCCOCCCC 34a_100000039918_100000210210 [0,0,0,0,0,0|4,0,0]=4 951 B12R0.5 C=COCCOCCOCCCC 34a_100000210238_100000039644 [0,0,0,0,0,0|4,0,0]=4 952 B12R0.5 C=COCCOCCOCCCC 7a_100000039918_100000210211 [0,0,0,0,0,0|4,0,0]=4 953 B12R0.5 C=COCCOCCOCCCC 7a_100000210238_100000039644 [0,0,0,0,0,0|4,0,0]=4 954 B12R0.5 C=COCCOCCSCCCC 34a_200000230436_100000039644 [0,0,0,0,0,0|4,0,0]=4 955 B12R0.5 C=COCCOCCSCCCC 7a_200000230436_100000039644 [0,0,0,0,0,0|4,0,0]=4 956 B12R0.5 C=COCCSCCCCCC=O 62a_100000039644_100000139337 [0,0,0,0,0,0|2,0,2]=4 957 B12R0.5 C=COCCSCCCCCC=O 62a_100000139337_100000039644 [0,0,0,0,0,0|2,0,2]=4 958 B12R0.5 C=COCCSCCCCCCC 62a_100000039644_100000210316 [0,0,0,0,0,0|3,0,0]=3 959 B12R0.5 C=COCCSCCCCCCC 62a_100000210614_100000039644 [0,0,0,0,0,0|3,0,0]=3 960 B12R0.5 C=COCCSCCCCCCF 62a_100000039644_100015922095 [0,0,0,0,0,0|4,0,0]=4 961 B12R0.5 C=COCCSCCCCCCF 62a_100015922095_100000039644 [0,0,0,0,0,0|4,0,0]=4 962 B12R0.5 C=COCCSCCCCCCO 62a_100000039644_100000766143 [0,0,0,0,0,0|4,0,0]=4 963 B12R0.5 C=COCCSCCCCCCO 62a_100000766143_100000039644 [0,0,0,0,0,0|4,0,0]=4 964 B12R0.5 C=COCCSCCOCCCC 62a_100000039644_100000743108 [0,0,0,0,0,0|4,0,0]=4 965 B12R0.5 C=COCCSCCOCCCC 62a_100000743108_100000039644 [0,0,0,0,0,0|4,0,0]=4 966 B12R0.5 CC#CCCOCCCCCCC 34a_100000750427_100000210614 [0,0,0,0,0,0|2,0,2]=4 967 B12R0.5 CC#CCNCCCCCCCC 2230a_100000229939_100000748600 [0,0,0,0,0,0|2,0,2]=4 968 B12R0.5 CC#CCNCCCCCCCC 2230a_100000685387_100000210759 [0,0,0,0,0,0|2,0,2]=4 969 B12R0.5 CC#CCNCCCCCCCC 34a_100000229939_100000748600 [0,0,0,0,0,0|2,0,2]=4 970 B12R0.5 CC#CCNCCCCCCCC 34a_100000685387_100000210759 [0,0,0,0,0,0|2,0,2]=4 971 B12R0.5 CC#CCOCCCCCCCC 34a_100000210232_100000748600 [0,0,0,0,0,0|2,0,2]=4 972 B12R0.5 CC#CCOCCCCCCCC 34a_100000761923_100000210759 [0,0,0,0,0,0|2,0,2]=4 973 B12R0.5 CC#CCOCCCCCCCC 7a_100000210232_100000748600 [0,0,0,0,0,0|2,0,2]=4 974 B12R0.5 CC#CCSCCCCCCCC 62a_100000210759_100000748600 [0,0,0,0,0,0|2,0,2]=4 975 B12R0.5 CC#CCSCCCCCCCC 62a_100000748600_100000210317 [0,0,0,0,0,0|2,0,2]=4 976 B12R0.5 CC/C=C/CCCOCCCC=O 7a_100016287902_200011292268 [0,0,0,0,0,0|1,0,2]=3 977 B12R0.5 CC/C=C\CCCCCCCNC 269862a_106832991636_200025770492 [0,0,0,0,0,0|2,0,2]=4 978 B12R0.5 CC/C=C\CCCCCOCC=O 34a_100016268722_200009817547 [0,0,0,0,0,0|1,0,2]=3 979 B12R0.5 CC/C=C\CCCCCOCC=O 7a_100016268722_200015260668 [0,0,0,0,0,0|1,0,2]=3 980 B12R0.5 CC/C=C\CCOCCCCC=O 7a_100016288707_100000139335 [0,0,0,0,0,0|1,0,2]=3 981 B12R0.5 CC/C=C\CCSCCCCC=O 62a_100000139335_100015370543 [0,0,0,0,0,0|1,0,2]=3 982 B12R0.5 CC/C=C\CCSCCCCC=O 62a_100015370543_100000139335 [0,0,0,0,0,0|1,0,2]=3 983 B12R0.5 CC/C=C\CSCCCCCC=O 62a_100000139337_100103147603 [0,0,0,0,0,0|1,0,2]=3 984 B12R0.5 CC/C=C\CSCCCCCC=O 62a_100103147603_100000139337 [0,0,0,0,0,0|1,0,2]=3 985 B12R0.5 CC=C=CCCOCCCCCC 34a_100011020354_100000210314 [0,0,0,0,0,0|2,0,2]=4 986 B12R0.5 CC=CCCCOCCCCCC 34a_100020645299_100000210314 [0,0,0,0,0,0|2,0,1]=3 987 B12R0.5 CC=CCCCOCCCCCF 34a_100020645299_100000729378 [0,0,0,0,0,0|3,0,1]=4 988 B12R0.5 CC=CCCCOCCCCCO 34a_100020645299_100000746330 [0,0,0,0,0,0|3,0,1]=4 989 B12R0.5 CC=CCCCOCCCCOC 34a_100020645299_100000755781 [0,0,0,0,0,0|3,0,1]=4 990 B12R0.5 CC=CCCCOCCCOCC 34a_100020645299_100012232248 [0,0,0,0,0,0|3,0,1]=4 991 B12R0.5 CC=CCCCOCCOCCC 34a_100020645299_100011215938 [0,0,0,0,0,0|3,0,1]=4 992 B12R0.5 CC=CCCCOCOCCCC 34a_100020645299_100011995733 [0,0,0,0,0,0|3,0,1]=4 993 B12R0.5 CC=CCNCCCCCCCC 2230a_100000229939_100000070051 [0,0,0,0,0,0|2,0,1]=3 994 B12R0.5 CC=CCNCCCCCCCC 34a_100000229939_100000070051 [0,0,0,0,0,0|2,0,1]=3 995 B12R0.5 CC=CCNCCCCCCCO 2230a_100011996573_100000070051 [0,0,0,0,0,0|3,0,1]=4 996 B12R0.5 CC=CCNCCCCCCCO 34a_100011996573_100000070051 [0,0,0,0,0,0|3,0,1]=4 997 B12R0.5 CC=CCNCCCOCCCC 2230a_200000211371_100000070051 [0,0,0,0,0,0|3,0,1]=4 998 B12R0.5 CC=CCNCCCOCCCC 34a_200000211371_100000070051 [0,0,0,0,0,0|3,0,1]=4 999 B12R0.5 CC=CCOCCCCCCCBr 34a_100000760002_100000070051 [0,0,0,0,0,0|3,0,1]=4 1000 B12R0.5 CC=CCOCCCCCCCBr 7a_100000760002_100000070051 [0,0,0,0,0,0|3,0,1]=4 1001 B12R0.5 CC=CCOCCCCCCCC 34a_100000210232_100000070051 [0,0,0,0,0,0|2,0,1]=3 1002 B12R0.5 CC=CCOCCCCCCCC 7a_100000210232_100000070051 [0,0,0,0,0,0|2,0,1]=3 1003 B12R0.5 CC=CCOCCCCCCCN 34a_100011996573_100000070051 [0,0,0,0,0,0|3,0,1]=4 1004 B12R0.5 CC=CCOCCCCCCOC 34a_200012092642_100000070051 [0,0,0,0,0,0|3,0,1]=4 1005 B12R0.5 CC=CCOCCCCCCOC 7a_200012092642_100000070051 [0,0,0,0,0,0|3,0,1]=4 1006 B12R0.5 CC=CCOCCCOCCCC 34a_200011215613_100000070051 [0,0,0,0,0,0|3,0,1]=4 1007 B12R0.5 CC=CCOCCCOCCCC 7a_200011215613_100000070051 [0,0,0,0,0,0|3,0,1]=4 1008 B12R0.5 CC=CCOCCNCCCCC 34a_100000224656_100000070051 [0,0,0,0,0,0|3,0,1]=4 1009 B12R0.5 CC=CCOCCOCCCCC 34a_100011215259_100000070051 [0,0,0,0,0,0|3,0,1]=4 1010 B12R0.5 CC=CCOCCOCCCCC 7a_100011215259_100000070051 [0,0,0,0,0,0|3,0,1]=4 1011 B12R0.5 CC=CCSCCCCCCCC 62a_100000070051_100000210317 [0,0,0,0,0,0|2,0,1]=3 1012 B12R0.5 CC=CCSCCCCCCCC 62a_100000210759_100000070051 [0,0,0,0,0,0|2,0,1]=3 1013 B12R0.5 CC=CCSCCCCCCCO 62a_100000070051_100000760002 [0,0,0,0,0,0|3,0,1]=4 1014 B12R0.5 CC=CCSCCCCCCCO 62a_100000760002_100000070051 [0,0,0,0,0,0|3,0,1]=4 1015 B12R0.5 CC=CCSCCCCCCOC 62a_100000070051_100011998445 [0,0,0,0,0,0|3,0,1]=4 1016 B12R0.5 CC=CCSCCCCCCOC 62a_100011998445_100000070051 [0,0,0,0,0,0|3,0,1]=4 1017 B12R0.5 CCC#CCCOCCCCC=O 7a_100000036655_100000139335 [0,0,0,0,0,0|1,0,2]=3 1018 B12R0.5 CCC#CCSCCCCCC=O 62a_100000139337_100009813939 [0,0,0,0,0,0|1,0,2]=3 1019 B12R0.5 CCC#CCSCCCCCC=O 62a_100009813939_100000139337 [0,0,0,0,0,0|1,0,2]=3 1020 B12R0.5 CCC/C=C/COCCCCC=O 7a_100016278788_100000139335 [0,0,0,0,0,0|1,0,2]=3 1021 B12R0.5 CCCC#CCCOCCCC=O 7a_100000042726_200011292268 [0,0,0,0,0,0|1,0,2]=3 1022 B12R0.5 CCCC#CCOCCCCC=O 7a_100000034806_100000139335 [0,0,0,0,0,0|1,0,2]=3 1023 B12R0.5 CCCC/C=C/COCCCC=O 7a_200016272032_200011292268 [0,0,0,0,0,0|1,0,2]=3 1024 B12R0.5 CCCCC#CCCCSCC=O 62a_200000047210_200015260668 [0,0,0,0,0,0|1,0,2]=3 1025 B12R0.5 CCCCC#CCCCSCC=O 62a_200015260668_200000047210 [0,0,0,0,0,0|1,0,2]=3 1026 B12R0.5 CCCCC#CCOCCCC=O 7a_200000034558_200011292268 [0,0,0,0,0,0|1,0,2]=3 1027 B12R0.5 CCCCC/C=C\CCOCC=O 34a_100016277358_200009817547 [0,0,0,0,0,0|1,0,2]=3 1028 B12R0.5 CCCCC/C=C\CCOCC=O 7a_100016277358_200015260668 [0,0,0,0,0,0|1,0,2]=3 1029 B12R0.5 CCCCCC#CCCOCC=O 34a_200000042877_200009817547 [0,0,0,0,0,0|1,0,2]=3 1030 B12R0.5 CCCCCC#CCCOCC=O 7a_200000042877_200015260668 [0,0,0,0,0,0|1,0,2]=3 1031 B12R0.5 CCCCCC/C=C/COCC=O 34a_200016276170_200009817547 [0,0,0,0,0,0|1,0,2]=3 1032 B12R0.5 CCCCCC/C=C/COCC=O 7a_200016276170_200015260668 [0,0,0,0,0,0|1,0,2]=3 1033 B12R0.5 CCCCCCC#CCOCC=O 34a_200000037284_200009817547 [0,0,0,0,0,0|1,0,2]=3 1034 B12R0.5 CCCCCCC#CCOCC=O 7a_200000037284_200015260668 [0,0,0,0,0,0|1,0,2]=3 1035 B12R0.5 CCCCCCCC/C=C/COC 34a_200020667288_200000210301 [0,0,0,0,0,0|2,0,2]=4 1036 B12R0.5 CCCCCCCC/C=C/COC 7a_200020667288_200000210301 [0,0,0,0,0,0|2,0,2]=4 1037 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 34a_200020667288_200025704644 [0,0,0,0,0,0|2,0,2]=4 1038 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 7a_200020667288_200025704644 [0,0,0,0,0,0|2,0,2]=4 1039 B12R0.5 CCCCCCCCCCCNC 2230a_106832991635_100011215454 [0,0,0,0,0,0|2,0,0]=2 1040 B12R0.5 CCCCCCCCCCCNC 2230a_200011215754_200000210301 [0,0,0,0,0,0|2,0,0]=2 1041 B12R0.5 CCCCCCCCCCCNC 34a_100102657272_100011215454 [0,0,0,0,0,0|2,0,0]=2 1042 B12R0.5 CCCCCCCCCCCNC 34a_200011215754_200000210301 [0,0,0,0,0,0|2,0,0]=2 1043 B12R0.5 CCCCCCCCCCCNC 7a_106832991635_100011215454 [0,0,0,0,0,0|2,0,0]=2 1044 B12R0.5 CCCCCCCCCCCN[13CH3] 2230a_200011215754_200025704644 [0,0,0,0,0,0|2,0,0]=2 1045 B12R0.5 CCCCCCCCCCCN[13CH3] 34a_200011215754_200025704644 [0,0,0,0,0,0|2,0,0]=2 1046 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [0,0,0,0,0,0|2,0,0]=2 1047 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [0,0,0,0,0,0|2,0,0]=2 1048 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [0,0,0,0,0,0|2,0,0]=2 1049 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [0,0,0,0,0,0|2,0,0]=2 1050 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [0,0,0,0,0,0|2,0,0]=2 1051 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [0,0,0,0,0,0|2,0,0]=2 1052 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [0,0,0,0,0,0|2,0,0]=2 1053 B12R0.5 CCCCCCCCCCNCC 2230a_100000684558_100000210202 [0,0,0,0,0,0|2,0,1]=3 1054 B12R0.5 CCCCCCCCCCNCC 2230a_100015525214_100000210320 [0,0,0,0,0,0|2,0,1]=3 1055 B12R0.5 CCCCCCCCCCNCC 34a_100000684558_100000210202 [0,0,0,0,0,0|2,0,1]=3 1056 B12R0.5 CCCCCCCCCCNCF 34a_100000684558_100015361967 [0,0,0,0,0,0|2,0,1]=3 1057 B12R0.5 CCCCCCCCCCOCC 34a_100000210711_100000210202 [0,0,0,0,0,0|2,0,1]=3 1058 B12R0.5 CCCCCCCCCCOCC 34a_100121572206_100000210320 [0,0,0,0,0,0|2,0,1]=3 1059 B12R0.5 CCCCCCCCCCOCC 7a_100000210711_100000210202 [0,0,0,0,0,0|2,0,1]=3 1060 B12R0.5 CCCCCCCCCCOCF 34a_100000210711_100015361967 [0,0,0,0,0,0|2,0,1]=3 1061 B12R0.5 CCCCCCCCCCOCF 7a_100000210711_100015361967 [0,0,0,0,0,0|2,0,1]=3 1062 B12R0.5 CCCCCCCCCCSCC 62a_100000210202_100000210320 [0,0,0,0,0,0|2,0,1]=3 1063 B12R0.5 CCCCCCCCCCSCF 62a_100015361967_100000210320 [0,0,0,0,0,0|2,0,1]=3 1064 B12R0.5 CCCCCCCCCNCC#N 2230a_100000212291_100011215382 [0,0,0,0,0,0|2,0,1]=3 1065 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [0,0,0,0,0,0|1,0,0]=1 1066 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [0,0,0,0,0,0|1,0,0]=1 1067 B12R0.5 CCCCCCCCCNCCC 2230a_100000212291_100000210303 [0,0,0,0,0,0|2,0,1]=3 1068 B12R0.5 CCCCCCCCCNCCC 34a_100000212291_100000210303 [0,0,0,0,0,0|2,0,1]=3 1069 B12R0.5 CCCCCCCCCNCCF 2230a_100000212291_100011217306 [0,0,0,0,0,0|2,0,1]=3 1070 B12R0.5 CCCCCCCCCNCCF 34a_100000212291_100011217306 [0,0,0,0,0,0|2,0,1]=3 1071 B12R0.5 CCCCCCCCCNCCF 34a_100000724931_100011214924 [0,0,0,0,0,0|2,0,1]=3 1072 B12R0.5 CCCCCCCCCNCCO 2230a_100000212291_100000211926 [0,0,0,0,0,0|1,0,2]=3 1073 B12R0.5 CCCCCCCCCNCCO 2230a_100016997473_100011214924 [0,0,0,0,0,0|1,0,2]=3 1074 B12R0.5 CCCCCCCCCNCCO 34a_100000212291_100000211926 [0,0,0,0,0,0|1,0,2]=3 1075 B12R0.5 CCCCCCCCCNCCO 34a_100016990907_100011214924 [0,0,0,0,0,0|1,0,2]=3 1076 B12R0.5 CCCCCCCCCNCOC 2230a_100000212291_100000766300 [0,0,0,0,0,0|3,0,0]=3 1077 B12R0.5 CCCCCCCCCNCSC 2230a_100000212291_100011218213 [0,0,0,0,0,0|3,0,0]=3 1078 B12R0.5 CCCCCCCCCNCSC 34a_100000212291_100011218213 [0,0,0,0,0,0|3,0,0]=3 1079 B12R0.5 CCCCCCCCCOCC#N 7a_100000210712_100011215382 [0,0,0,0,0,0|2,0,1]=3 1080 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [0,0,0,0,0,0|1,0,0]=1 1081 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [0,0,0,0,0,0|1,0,0]=1 1082 B12R0.5 CCCCCCCCCOCCBr 34a_100000211926_100011214924 [0,0,0,0,0,0|2,0,1]=3 1083 B12R0.5 CCCCCCCCCOCCC 34a_100000210258_100011214924 [0,0,0,0,0,0|2,0,1]=3 1084 B12R0.5 CCCCCCCCCOCCC 34a_100000210712_100000210303 [0,0,0,0,0,0|2,0,1]=3 1085 B12R0.5 CCCCCCCCCOCCC 7a_100000210712_100000210303 [0,0,0,0,0,0|2,0,1]=3 1086 B12R0.5 CCCCCCCCCOCCF 34a_100000210712_100011217306 [0,0,0,0,0,0|2,0,1]=3 1087 B12R0.5 CCCCCCCCCOCCF 7a_100000210712_100011217306 [0,0,0,0,0,0|2,0,1]=3 1088 B12R0.5 CCCCCCCCCOCCN 34a_100000210304_100011214924 [0,0,0,0,0,0|2,0,1]=3 1089 B12R0.5 CCCCCCCCCOCCO 34a_100000210712_100000211926 [0,0,0,0,0,0|1,0,2]=3 1090 B12R0.5 CCCCCCCCCOCCO 7a_100000210712_100000211926 [0,0,0,0,0,0|1,0,2]=3 1091 B12R0.5 CCCCCCCCCOCSC 34a_100000210712_100011218213 [0,0,0,0,0,0|3,0,0]=3 1092 B12R0.5 CCCCCCCCCSCC#N 62a_100011215382_100000210670 [0,0,0,0,0,0|2,0,1]=3 1093 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [0,0,0,0,0,0|1,0,0]=1 1094 B12R0.5 CCCCCCCCCSCCC 62a_100000210303_100000210670 [0,0,0,0,0,0|2,0,1]=3 1095 B12R0.5 CCCCCCCCCSCCF 62a_100011217306_100000210670 [0,0,0,0,0,0|2,0,1]=3 1096 B12R0.5 CCCCCCCCCSCCO 62a_100000211926_100000210670 [0,0,0,0,0,0|1,0,2]=3 1097 B12R0.5 CCCCCCCCCSCOC 62a_100000766300_100000210670 [0,0,0,0,0,0|3,0,0]=3 1098 B12R0.5 CCCCCCCCCSCSC 62a_100011218213_100000210670 [0,0,0,0,0,0|3,0,0]=3 1099 B12R0.5 CCCCCCCCNCCC#N 2230a_100000229939_100011215226 [0,0,0,0,0,0|2,0,1]=3 1100 B12R0.5 CCCCCCCCNCCCC 2230a_100000102301_100000210759 [0,0,0,0,0,0|2,0,1]=3 1101 B12R0.5 CCCCCCCCNCCCC 2230a_100000229939_100000210211 [0,0,0,0,0,0|2,0,1]=3 1102 B12R0.5 CCCCCCCCNCCCC 34a_100000229939_100000210210 [0,0,0,0,0,0|2,0,1]=3 1103 B12R0.5 CCCCCCCCNCCCC 7a_106832991798_100000210759 [0,0,0,0,0,0|2,0,1]=3 1104 B12R0.5 CCCCCCCCNCCCF 2230a_100000229939_100011934791 [0,0,0,0,0,0|2,0,1]=3 1105 B12R0.5 CCCCCCCCNCCCF 2230a_100015189416_100000210759 [0,0,0,0,0,0|2,0,1]=3 1106 B12R0.5 CCCCCCCCNCCCF 34a_100000229939_100011934791 [0,0,0,0,0,0|2,0,1]=3 1107 B12R0.5 CCCCCCCCNCCCF 34a_100015189416_100000210759 [0,0,0,0,0,0|2,0,1]=3 1108 B12R0.5 CCCCCCCCNCCCO 2230a_100000229939_100000230001 [0,0,0,0,0,0|1,0,2]=3 1109 B12R0.5 CCCCCCCCNCCCO 34a_100000229939_100000230001 [0,0,0,0,0,0|1,0,2]=3 1110 B12R0.5 CCCCCCCCNCCOC 2230a_100000209980_100000210759 [0,0,0,0,0,0|3,0,0]=3 1111 B12R0.5 CCCCCCCCNCCOC 2230a_100000229939_100011201679 [0,0,0,0,0,0|3,0,0]=3 1112 B12R0.5 CCCCCCCCNCCOC 34a_100000229939_100011201679 [0,0,0,0,0,0|3,0,0]=3 1113 B12R0.5 CCCCCCCCNCCSC 2230a_100000229939_100000751147 [0,0,0,0,0,0|3,0,0]=3 1114 B12R0.5 CCCCCCCCNCCSC 2230a_100020590264_100000210759 [0,0,0,0,0,0|3,0,0]=3 1115 B12R0.5 CCCCCCCCNCCSC 34a_100000229939_100000212216 [0,0,0,0,0,0|3,0,0]=3 1116 B12R0.5 CCCCCCCCOCCC#N 7a_100000210232_100000184422 [0,0,0,0,0,0|2,0,1]=3 1117 B12R0.5 CCCCCCCCOCCCBr 34a_100011217188_100000210759 [0,0,0,0,0,0|2,0,1]=3 1118 B12R0.5 CCCCCCCCOCCCC 34a_100000210227_100000210759 [0,0,0,0,0,0|2,0,1]=3 1119 B12R0.5 CCCCCCCCOCCCC 34a_100000210232_100000210210 [0,0,0,0,0,0|2,0,1]=3 1120 B12R0.5 CCCCCCCCOCCCC 7a_100000210227_100000210759 [0,0,0,0,0,0|2,0,1]=3 1121 B12R0.5 CCCCCCCCOCCCC 7a_100000210232_100000210211 [0,0,0,0,0,0|2,0,1]=3 1122 B12R0.5 CCCCCCCCOCCCCl 34a_100000230001_100000210759 [0,0,0,0,0,0|2,0,1]=3 1123 B12R0.5 CCCCCCCCOCCCF 34a_100000210232_100011934791 [0,0,0,0,0,0|2,0,1]=3 1124 B12R0.5 CCCCCCCCOCCCF 34a_100000759539_100000210759 [0,0,0,0,0,0|2,0,1]=3 1125 B12R0.5 CCCCCCCCOCCCF 7a_100000210232_100011934791 [0,0,0,0,0,0|2,0,1]=3 1126 B12R0.5 CCCCCCCCOCCCN 34a_100000182051_100000210759 [0,0,0,0,0,0|2,0,1]=3 1127 B12R0.5 CCCCCCCCOCCCO 34a_100000210232_100000230001 [0,0,0,0,0,0|1,0,2]=3 1128 B12R0.5 CCCCCCCCOCCCO 7a_100000210232_100011215043 [0,0,0,0,0,0|1,0,2]=3 1129 B12R0.5 CCCCCCCCOCCOC 34a_100000210232_100011201679 [0,0,0,0,0,0|3,0,0]=3 1130 B12R0.5 CCCCCCCCOCCOC 34a_100000210237_100000210759 [0,0,0,0,0,0|3,0,0]=3 1131 B12R0.5 CCCCCCCCOCCOC 7a_100000210232_100000233755 [0,0,0,0,0,0|3,0,0]=3 1132 B12R0.5 CCCCCCCCOCCON 34a_100000700252_100000210759 [0,0,0,0,0,0|3,0,0]=3 1133 B12R0.5 CCCCCCCCOCCSC 34a_100000210232_100000212216 [0,0,0,0,0,0|3,0,0]=3 1134 B12R0.5 CCCCCCCCOCCSC 34a_100000230434_100000210759 [0,0,0,0,0,0|3,0,0]=3 1135 B12R0.5 CCCCCCCCOCCSC 7a_100000210232_100000212216 [0,0,0,0,0,0|3,0,0]=3 1136 B12R0.5 CCCCCCCCOCCSC 7a_100000230434_100000210759 [0,0,0,0,0,0|3,0,0]=3 1137 B12R0.5 CCCCCCCCSCCC#N 62a_100000210759_100011215226 [0,0,0,0,0,0|2,0,1]=3 1138 B12R0.5 CCCCCCCCSCCC#N 62a_100011215226_100000210317 [0,0,0,0,0,0|2,0,1]=3 1139 B12R0.5 CCCCCCCCSCCCC 62a_100000210211_100000210317 [0,0,0,0,0,0|2,0,1]=3 1140 B12R0.5 CCCCCCCCSCCCC 62a_100000210759_100000210210 [0,0,0,0,0,0|2,0,1]=3 1141 B12R0.5 CCCCCCCCSCCCF 62a_100000210759_100011934791 [0,0,0,0,0,0|2,0,1]=3 1142 B12R0.5 CCCCCCCCSCCCF 62a_100011934791_100000210317 [0,0,0,0,0,0|2,0,1]=3 1143 B12R0.5 CCCCCCCCSCCCO 62a_100000210759_100011215043 [0,0,0,0,0,0|1,0,2]=3 1144 B12R0.5 CCCCCCCCSCCCO 62a_100011215043_100000210317 [0,0,0,0,0,0|1,0,2]=3 1145 B12R0.5 CCCCCCCCSCCOC 62a_100000210759_100000233755 [0,0,0,0,0,0|3,0,0]=3 1146 B12R0.5 CCCCCCCCSCCOC 62a_100000233755_100000210317 [0,0,0,0,0,0|3,0,0]=3 1147 B12R0.5 CCCCCCCCSCCSC 62a_100000210759_100000751147 [0,0,0,0,0,0|3,0,0]=3 1148 B12R0.5 CCCCCCCCSCCSC 62a_100000212216_100000210317 [0,0,0,0,0,0|3,0,0]=3 1149 B12R0.5 CCCCCCCCSCOCC 62a_100000210759_100000739092 [0,0,0,0,0,0|3,0,1]=4 1150 B12R0.5 CCCCCCCCSCOCC 62a_100000739092_100000210317 [0,0,0,0,0,0|3,0,1]=4 1151 B12R0.5 CCCCCCCCSCSC#N 62a_100000210759_100000211825 [0,0,0,0,0,0|3,0,1]=4 1152 B12R0.5 CCCCCCCCSCSC#N 62a_100000211825_100000210317 [0,0,0,0,0,0|3,0,1]=4 1153 B12R0.5 CCCCCCCNCCCC#N 2230a_100000229938_100000687738 [0,0,0,0,0,0|2,0,1]=3 1154 B12R0.5 CCCCCCCNCCCC=O 2230a_100000229938_200011292268 [0,0,0,0,0,0|1,0,0]=1 1155 B12R0.5 CCCCCCCNCCCCC 2230a_100000209983_100000210681 [0,0,0,0,0,0|2,0,1]=3 1156 B12R0.5 CCCCCCCNCCCCC 2230a_100000229938_100000210326 [0,0,0,0,0,0|2,0,1]=3 1157 B12R0.5 CCCCCCCNCCCCF 2230a_100000229938_100000729493 [0,0,0,0,0,0|2,0,1]=3 1158 B12R0.5 CCCCCCCNCCCCO 2230a_100000229938_100000210776 [0,0,0,0,0,0|1,0,2]=3 1159 B12R0.5 CCCCCCCNCCCCO 2230a_100000750430_100000210681 [0,0,0,0,0,0|1,0,2]=3 1160 B12R0.5 CCCCCCCNCCCCO 34a_100000750430_100000210614 [0,0,0,0,0,0|1,0,2]=3 1161 B12R0.5 CCCCCCCNCCCOC 2230a_100000229938_100000740836 [0,0,0,0,0,0|3,0,0]=3 1162 B12R0.5 CCCCCCCNCCCOC 34a_100150723488_100000210614 [0,0,0,0,0,0|3,0,0]=3 1163 B12R0.5 CCCCCCCNCCCSC 2230a_100000749238_100000210681 [0,0,0,0,0,0|3,0,0]=3 1164 B12R0.5 CCCCCCCNCCOCC 2230a_100000229938_100011215890 [0,0,0,0,0,0|3,0,1]=4 1165 B12R0.5 CCCCCCCNCCOCC 2230a_102516460346_100000210681 [0,0,0,0,0,0|3,0,1]=4 1166 B12R0.5 CCCCCCCNCCOCC 34a_102516460346_100000210614 [0,0,0,0,0,0|3,0,1]=4 1167 B12R0.5 CCCCCCCNCCSCC 2230a_100000106463_100000210681 [0,0,0,0,0,0|3,0,1]=4 1168 B12R0.5 CCCCCCCNCCSCC 2230a_100000229938_100000757381 [0,0,0,0,0,0|3,0,1]=4 1169 B12R0.5 CCCCCCCOCCCC#N 7a_100000210272_100000687738 [0,0,0,0,0,0|2,0,1]=3 1170 B12R0.5 CCCCCCCOCCCC=O 7a_100000210272_200011292268 [0,0,0,0,0,0|1,0,0]=1 1171 B12R0.5 CCCCCCCOCCCCBr 34a_100011216708_100000210614 [0,0,0,0,0,0|2,0,1]=3 1172 B12R0.5 CCCCCCCOCCCCC 34a_100000210253_100000210614 [0,0,0,0,0,0|2,0,1]=3 1173 B12R0.5 CCCCCCCOCCCCC 34a_100000210272_100000718602 [0,0,0,0,0,0|2,0,1]=3 1174 B12R0.5 CCCCCCCOCCCCC 7a_100000210253_100000210614 [0,0,0,0,0,0|2,0,1]=3 1175 B12R0.5 CCCCCCCOCCCCC 7a_100000210272_100000210326 [0,0,0,0,0,0|2,0,1]=3 1176 B12R0.5 CCCCCCCOCCCCCl 34a_100000210776_100000210614 [0,0,0,0,0,0|2,0,1]=3 1177 B12R0.5 CCCCCCCOCCCCCl 7a_100000210776_100000210614 [0,0,0,0,0,0|2,0,1]=3 1178 B12R0.5 CCCCCCCOCCCCF 34a_100000210272_100000729493 [0,0,0,0,0,0|2,0,1]=3 1179 B12R0.5 CCCCCCCOCCCCF 34a_100011995726_100000210614 [0,0,0,0,0,0|2,0,1]=3 1180 B12R0.5 CCCCCCCOCCCCF 7a_100000210272_100000729493 [0,0,0,0,0,0|2,0,1]=3 1181 B12R0.5 CCCCCCCOCCCCF 7a_100011995726_100000210614 [0,0,0,0,0,0|2,0,1]=3 1182 B12R0.5 CCCCCCCOCCCCI 34a_200012148704_100000210614 [0,0,0,0,0,0|2,0,1]=3 1183 B12R0.5 CCCCCCCOCCCCN 34a_100000750430_100000210614 [0,0,0,0,0,0|2,0,1]=3 1184 B12R0.5 CCCCCCCOCCCCO 34a_100000210272_100011216708 [0,0,0,0,0,0|1,0,2]=3 1185 B12R0.5 CCCCCCCOCCCCO 7a_100000210272_100000210776 [0,0,0,0,0,0|1,0,2]=3 1186 B12R0.5 CCCCCCCOCCCNC 34a_100000213112_100000210614 [0,0,0,0,0,0|3,0,0]=3 1187 B12R0.5 CCCCCCCOCCCOC 34a_100000210272_100000740836 [0,0,0,0,0,0|3,0,0]=3 1188 B12R0.5 CCCCCCCOCCCOC 34a_100000740835_100000210614 [0,0,0,0,0,0|3,0,0]=3 1189 B12R0.5 CCCCCCCOCCCOC 7a_100000210272_100000740836 [0,0,0,0,0,0|3,0,0]=3 1190 B12R0.5 CCCCCCCOCCCSC 34a_100000690336_100000210614 [0,0,0,0,0,0|3,0,0]=3 1191 B12R0.5 CCCCCCCOCCCSC 7a_100000690336_100000210614 [0,0,0,0,0,0|3,0,0]=3 1192 B12R0.5 CCCCCCCOCCOCC 34a_100000210136_100000210614 [0,0,0,0,0,0|3,0,1]=4 1193 B12R0.5 CCCCCCCOCCOCC 34a_100000210272_100000210147 [0,0,0,0,0,0|3,0,1]=4 1194 B12R0.5 CCCCCCCOCCOCC 7a_100000210136_100000210614 [0,0,0,0,0,0|3,0,1]=4 1195 B12R0.5 CCCCCCCOCCOCC 7a_100000210272_100011215890 [0,0,0,0,0,0|3,0,1]=4 1196 B12R0.5 CCCCCCCOCCSCC 34a_100000210272_100000757381 [0,0,0,0,0,0|3,0,1]=4 1197 B12R0.5 CCCCCCCOCCSCC 34a_100000212035_100000210614 [0,0,0,0,0,0|3,0,1]=4 1198 B12R0.5 CCCCCCCOCCSCC 7a_100000210272_100000757381 [0,0,0,0,0,0|3,0,1]=4 1199 B12R0.5 CCCCCCCOCCSCC 7a_100000212035_100000210614 [0,0,0,0,0,0|3,0,1]=4 1200 B12R0.5 CCCCCCCSCCCC#N 62a_100000210614_100000687738 [0,0,0,0,0,0|2,0,1]=3 1201 B12R0.5 CCCCCCCSCCCC#N 62a_100000687738_100000210316 [0,0,0,0,0,0|2,0,1]=3 1202 B12R0.5 CCCCCCCSCCCC=O 62a_100000210614_200011292268 [0,0,0,0,0,0|1,0,0]=1 1203 B12R0.5 CCCCCCCSCCCC=O 62a_200011292268_100000210316 [0,0,0,0,0,0|1,0,0]=1 1204 B12R0.5 CCCCCCCSCCCCC 62a_100000210326_100000210316 [0,0,0,0,0,0|2,0,1]=3 1205 B12R0.5 CCCCCCCSCCCCC 62a_100000210614_100000210326 [0,0,0,0,0,0|2,0,1]=3 1206 B12R0.5 CCCCCCCSCCCCF 62a_100000210614_100000729493 [0,0,0,0,0,0|2,0,1]=3 1207 B12R0.5 CCCCCCCSCCCCF 62a_100000729493_100000210316 [0,0,0,0,0,0|2,0,1]=3 1208 B12R0.5 CCCCCCCSCCCCO 62a_100000210614_100000210776 [0,0,0,0,0,0|1,0,2]=3 1209 B12R0.5 CCCCCCCSCCCCO 62a_100000210776_100000210316 [0,0,0,0,0,0|1,0,2]=3 1210 B12R0.5 CCCCCCCSCCCOC 62a_100000210614_100000709357 [0,0,0,0,0,0|3,0,0]=3 1211 B12R0.5 CCCCCCCSCCCOC 62a_100000709357_100000210316 [0,0,0,0,0,0|3,0,0]=3 1212 B12R0.5 CCCCCCCSCCOCC 62a_100000210147_100000210316 [0,0,0,0,0,0|3,0,1]=4 1213 B12R0.5 CCCCCCCSCCOCC 62a_100000210614_100011215890 [0,0,0,0,0,0|3,0,1]=4 1214 B12R0.5 CCCCCCCSCCSC#N 62a_100000034367_100000210316 [0,0,0,0,0,0|3,0,1]=4 1215 B12R0.5 CCCCCCCSCCSC#N 62a_100000210614_100000034367 [0,0,0,0,0,0|3,0,1]=4 1216 B12R0.5 CCCCCCCSCCSCC 62a_100000210614_100000757381 [0,0,0,0,0,0|3,0,1]=4 1217 B12R0.5 CCCCCCCSCCSCC 62a_100000757381_100000210316 [0,0,0,0,0,0|3,0,1]=4 1218 B12R0.5 CCCCCCNCCCCC#N 2230a_100000210581_100000211819 [0,0,0,0,0,0|2,0,1]=3 1219 B12R0.5 CCCCCCNCCCCC=O 2230a_100000210581_100000139335 [0,0,0,0,0,0|1,0,0]=1 1220 B12R0.5 CCCCCCNCCCCCC 2230a_100000210581_100000210314 [0,0,0,0,0,0|2,0,1]=3 1221 B12R0.5 CCCCCCNCCCCCF 2230a_100000210581_100000729378 [0,0,0,0,0,0|2,0,1]=3 1222 B12R0.5 CCCCCCNCCCCCO 2230a_100000210581_100000746330 [0,0,0,0,0,0|1,0,2]=3 1223 B12R0.5 CCCCCCNCCCCCO 2230a_100000762737_100000210314 [0,0,0,0,0,0|1,0,2]=3 1224 B12R0.5 CCCCCCNCCCCCO 34a_100000762737_100000210314 [0,0,0,0,0,0|1,0,2]=3 1225 B12R0.5 CCCCCCNCCCCOC 2230a_100000210581_100000730899 [0,0,0,0,0,0|3,0,0]=3 1226 B12R0.5 CCCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210314 [0,0,0,0,0,0|4,0,0]=4 1227 B12R0.5 CCCCCCNCCCOCC 2230a_100000210581_100012232248 [0,0,0,0,0,0|3,0,1]=4 1228 B12R0.5 CCCCCCNCCCOCC 2230a_100000210961_100000210314 [0,0,0,0,0,0|3,0,1]=4 1229 B12R0.5 CCCCCCNCCCOCC 34a_100000210961_100000210314 [0,0,0,0,0,0|3,0,1]=4 1230 B12R0.5 CCCCCCNCCOCC#N 2230a_100000210581_200000047693 [0,0,0,0,0,0|3,0,1]=4 1231 B12R0.5 CCCCCCNCCOCCC 2230a_100000210581_100011215938 [0,0,0,0,0,0|3,0,1]=4 1232 B12R0.5 CCCCCCNCCOCCC 2230a_100161115042_100000210314 [0,0,0,0,0,0|3,0,1]=4 1233 B12R0.5 CCCCCCNCCOCCC 34a_100161115042_100000210314 [0,0,0,0,0,0|3,0,1]=4 1234 B12R0.5 CCCCCCNCCOCCO 2230a_100000210581_100011215305 [0,0,0,0,0,0|2,0,2]=4 1235 B12R0.5 CCCCCCNCCOCCO 2230a_100000211614_100000210314 [0,0,0,0,0,0|2,0,2]=4 1236 B12R0.5 CCCCCCNCCOCCO 34a_100000211614_100000210314 [0,0,0,0,0,0|2,0,2]=4 1237 B12R0.5 CCCCCCNCCSCCC 2230a_100020603323_100000210314 [0,0,0,0,0,0|3,0,1]=4 1238 B12R0.5 CCCCCCNCCSCCO 2230a_100011219999_100000210314 [0,0,0,0,0,0|2,0,2]=4 1239 B12R0.5 CCCCCCNCOCCCC 2230a_100000210581_100011995733 [0,0,0,0,0,0|3,0,1]=4 1240 B12R0.5 CCCCCCNCOCCOC 2230a_100000210581_100000231047 [0,0,0,0,0,0|4,0,0]=4 1241 B12R0.5 CCCCCCOCCCCC#N 7a_100000210259_100000211819 [0,0,0,0,0,0|2,0,1]=3 1242 B12R0.5 CCCCCCOCCCCC=O 7a_100000210259_100000139335 [0,0,0,0,0,0|1,0,0]=1 1243 B12R0.5 CCCCCCOCCCCCBr 34a_100000746331_100000210314 [0,0,0,0,0,0|2,0,1]=3 1244 B12R0.5 CCCCCCOCCCCCBr 7a_100000746331_100000210314 [0,0,0,0,0,0|2,0,1]=3 1245 B12R0.5 CCCCCCOCCCCCC 34a_100000210259_100000210314 [0,0,0,0,0,0|2,0,1]=3 1246 B12R0.5 CCCCCCOCCCCCC 7a_100000210259_100000210314 [0,0,0,0,0,0|2,0,1]=3 1247 B12R0.5 CCCCCCOCCCCCCl 34a_100000746330_100000210314 [0,0,0,0,0,0|2,0,1]=3 1248 B12R0.5 CCCCCCOCCCCCCl 7a_100000746330_100000210314 [0,0,0,0,0,0|2,0,1]=3 1249 B12R0.5 CCCCCCOCCCCCF 34a_100000210259_100000729378 [0,0,0,0,0,0|2,0,1]=3 1250 B12R0.5 CCCCCCOCCCCCF 7a_100000210259_100000729378 [0,0,0,0,0,0|2,0,1]=3 1251 B12R0.5 CCCCCCOCCCCCI 34a_200012148887_100000210314 [0,0,0,0,0,0|2,0,1]=3 1252 B12R0.5 CCCCCCOCCCCCI 7a_200012148887_100000210314 [0,0,0,0,0,0|2,0,1]=3 1253 B12R0.5 CCCCCCOCCCCCN 34a_100000762737_100000210314 [0,0,0,0,0,0|2,0,1]=3 1254 B12R0.5 CCCCCCOCCCCCO 34a_100000210259_100000746330 [0,0,0,0,0,0|1,0,2]=3 1255 B12R0.5 CCCCCCOCCCCCO 7a_100000210259_100000746330 [0,0,0,0,0,0|1,0,2]=3 1256 B12R0.5 CCCCCCOCCCCOC 34a_100000210259_100000755781 [0,0,0,0,0,0|3,0,0]=3 1257 B12R0.5 CCCCCCOCCCCOC 34a_100000740925_100000210314 [0,0,0,0,0,0|3,0,0]=3 1258 B12R0.5 CCCCCCOCCCCOC 7a_100000210259_100000730899 [0,0,0,0,0,0|3,0,0]=3 1259 B12R0.5 CCCCCCOCCCCSC 34a_100011217163_100000210314 [0,0,0,0,0,0|3,0,0]=3 1260 B12R0.5 CCCCCCOCCCCSC 7a_100011217163_100000210314 [0,0,0,0,0,0|3,0,0]=3 1261 B12R0.5 CCCCCCOCCCOCC 34a_100000210259_100012232248 [0,0,0,0,0,0|3,0,1]=4 1262 B12R0.5 CCCCCCOCCCOCC 34a_100000757476_100000210314 [0,0,0,0,0,0|3,0,1]=4 1263 B12R0.5 CCCCCCOCCCOCC 7a_100000210259_100012232248 [0,0,0,0,0,0|3,0,1]=4 1264 B12R0.5 CCCCCCOCCCOCC 7a_100000757476_100000210314 [0,0,0,0,0,0|3,0,1]=4 1265 B12R0.5 CCCCCCOCCCSCC 34a_100011216438_100000210314 [0,0,0,0,0,0|3,0,1]=4 1266 B12R0.5 CCCCCCOCCCSCC 7a_100011216438_100000210314 [0,0,0,0,0,0|3,0,1]=4 1267 B12R0.5 CCCCCCOCCOCC#N 7a_100000210259_200000047693 [0,0,0,0,0,0|3,0,1]=4 1268 B12R0.5 CCCCCCOCCOCC#N 7a_100000691444_100011215382 [0,0,0,0,0,0|3,0,1]=4 1269 B12R0.5 CCCCCCOCCOCC=O 34a_100000691444_200009817547 [0,0,0,0,0,0|2,0,0]=2 1270 B12R0.5 CCCCCCOCCOCC=O 7a_100000691444_200015260668 [0,0,0,0,0,0|2,0,0]=2 1271 B12R0.5 CCCCCCOCCOCCBr 34a_100000692535_100000210314 [0,0,0,0,0,0|3,0,1]=4 1272 B12R0.5 CCCCCCOCCOCCBr 7a_100000692535_100000210314 [0,0,0,0,0,0|3,0,1]=4 1273 B12R0.5 CCCCCCOCCOCCC 34a_100000210259_100011215938 [0,0,0,0,0,0|3,0,1]=4 1274 B12R0.5 CCCCCCOCCOCCC 34a_100000691444_100000210303 [0,0,0,0,0,0|3,0,1]=4 1275 B12R0.5 CCCCCCOCCOCCC 34a_100000752267_100000210314 [0,0,0,0,0,0|3,0,1]=4 1276 B12R0.5 CCCCCCOCCOCCC 7a_100000210259_100011215938 [0,0,0,0,0,0|3,0,1]=4 1277 B12R0.5 CCCCCCOCCOCCC 7a_100000691444_100000210303 [0,0,0,0,0,0|3,0,1]=4 1278 B12R0.5 CCCCCCOCCOCCC 7a_100000752267_100000210314 [0,0,0,0,0,0|3,0,1]=4 1279 B12R0.5 CCCCCCOCCOCCCl 34a_100011215305_100000210314 [0,0,0,0,0,0|3,0,1]=4 1280 B12R0.5 CCCCCCOCCOCCCl 7a_100011215305_100000210314 [0,0,0,0,0,0|3,0,1]=4 1281 B12R0.5 CCCCCCOCCOCCF 34a_100000691444_100011217306 [0,0,0,0,0,0|3,0,1]=4 1282 B12R0.5 CCCCCCOCCOCCF 34a_200015357709_100000210314 [0,0,0,0,0,0|3,0,1]=4 1283 B12R0.5 CCCCCCOCCOCCF 7a_100000691444_100011217306 [0,0,0,0,0,0|3,0,1]=4 1284 B12R0.5 CCCCCCOCCOCCF 7a_200015357709_100000210314 [0,0,0,0,0,0|3,0,1]=4 1285 B12R0.5 CCCCCCOCCOCCI 34a_100012149058_100000210314 [0,0,0,0,0,0|3,0,1]=4 1286 B12R0.5 CCCCCCOCCOCCI 7a_100012149058_100000210314 [0,0,0,0,0,0|3,0,1]=4 1287 B12R0.5 CCCCCCOCCOCCN 34a_100000211614_100000210314 [0,0,0,0,0,0|3,0,1]=4 1288 B12R0.5 CCCCCCOCCOCCO 34a_100000210259_100000692535 [0,0,0,0,0,0|2,0,2]=4 1289 B12R0.5 CCCCCCOCCOCCO 34a_100000691444_100000211926 [0,0,0,0,0,0|2,0,2]=4 1290 B12R0.5 CCCCCCOCCOCCO 7a_100000210259_100011215305 [0,0,0,0,0,0|2,0,2]=4 1291 B12R0.5 CCCCCCOCCOCCO 7a_100000691444_100000211926 [0,0,0,0,0,0|2,0,2]=4 1292 B12R0.5 CCCCCCOCCOCSC 34a_100000691444_100011218213 [0,0,0,0,0,0|4,0,0]=4 1293 B12R0.5 CCCCCCOCCSCCC 34a_200000230433_100000210314 [0,0,0,0,0,0|3,0,1]=4 1294 B12R0.5 CCCCCCOCCSCCC 7a_200000230433_100000210314 [0,0,0,0,0,0|3,0,1]=4 1295 B12R0.5 CCCCCCOCOCCCC 34a_100000210259_100011995733 [0,0,0,0,0,0|3,0,1]=4 1296 B12R0.5 CCCCCCSCCCCC#N 62a_100000210314_100000211819 [0,0,0,0,0,0|2,0,1]=3 1297 B12R0.5 CCCCCCSCCCCC#N 62a_100011219923_100000210757 [0,0,0,0,0,0|2,0,1]=3 1298 B12R0.5 CCCCCCSCCCCC=O 62a_100000139335_100000210757 [0,0,0,0,0,0|1,0,0]=1 1299 B12R0.5 CCCCCCSCCCCC=O 62a_100000210314_100000139335 [0,0,0,0,0,0|1,0,0]=1 1300 B12R0.5 CCCCCCSCCCCCC 62a_100000210314_100000210757 [0,0,0,0,0,0|2,0,1]=3 1301 B12R0.5 CCCCCCSCCCCCF 62a_100000210314_100000729378 [0,0,0,0,0,0|2,0,1]=3 1302 B12R0.5 CCCCCCSCCCCCF 62a_100000729378_100000210757 [0,0,0,0,0,0|2,0,1]=3 1303 B12R0.5 CCCCCCSCCCCCO 62a_100000210314_100000746330 [0,0,0,0,0,0|1,0,2]=3 1304 B12R0.5 CCCCCCSCCCCCO 62a_100000746330_100000210757 [0,0,0,0,0,0|1,0,2]=3 1305 B12R0.5 CCCCCCSCCCCOC 62a_100000210314_100000730899 [0,0,0,0,0,0|3,0,0]=3 1306 B12R0.5 CCCCCCSCCCCOC 62a_100000730899_100000210757 [0,0,0,0,0,0|3,0,0]=3 1307 B12R0.5 CCCCCCSCCCOCC 62a_100000210314_100012232248 [0,0,0,0,0,0|3,0,1]=4 1308 B12R0.5 CCCCCCSCCCOCC 62a_100012232248_100000210757 [0,0,0,0,0,0|3,0,1]=4 1309 B12R0.5 CCCCCCSCCOCC#N 62a_100000210314_200000047693 [0,0,0,0,0,0|3,0,1]=4 1310 B12R0.5 CCCCCCSCCOCC#N 62a_200000047693_100000210757 [0,0,0,0,0,0|3,0,1]=4 1311 B12R0.5 CCCCCCSCCOCCC 62a_100000210314_100011215938 [0,0,0,0,0,0|3,0,1]=4 1312 B12R0.5 CCCCCCSCCOCCC 62a_100011215938_100000210757 [0,0,0,0,0,0|3,0,1]=4 1313 B12R0.5 CCCCCCSCCOCCO 62a_100000210314_100011215305 [0,0,0,0,0,0|2,0,2]=4 1314 B12R0.5 CCCCCCSCCOCCO 62a_100011215305_100000210757 [0,0,0,0,0,0|2,0,2]=4 1315 B12R0.5 CCCCCCSCOCCCC 62a_100000210314_100011995733 [0,0,0,0,0,0|3,0,1]=4 1316 B12R0.5 CCCCCCSCOCCCC 62a_100011995733_100000210757 [0,0,0,0,0,0|3,0,1]=4 1317 B12R0.5 CCCCCCSCOCCOC 62a_100000210314_100000231047 [0,0,0,0,0,0|4,0,0]=4 1318 B12R0.5 CCCCCCSCOCCOC 62a_100000231047_100000210757 [0,0,0,0,0,0|4,0,0]=4 1319 B12R0.5 CCCCCNCCCCCC#N 2230a_100000209983_100009813376 [0,0,0,0,0,0|2,0,1]=3 1320 B12R0.5 CCCCCNCCCCCC=O 2230a_100000209983_100000139337 [0,0,0,0,0,0|1,0,0]=1 1321 B12R0.5 CCCCCNCCCCCCF 2230a_100000209983_100015922095 [0,0,0,0,0,0|2,0,1]=3 1322 B12R0.5 CCCCCNCCCCCCO 2230a_100000209983_100000766143 [0,0,0,0,0,0|1,0,2]=3 1323 B12R0.5 CCCCCNCCCCCCO 2230a_100000686447_100000210326 [0,0,0,0,0,0|1,0,2]=3 1324 B12R0.5 CCCCCNCCCCCCO 34a_100000686447_100000718602 [0,0,0,0,0,0|1,0,2]=3 1325 B12R0.5 CCCCCNCCCCCOC 2230a_100000747528_100000210326 [0,0,0,0,0,0|3,0,0]=3 1326 B12R0.5 CCCCCNCCCCCOC 34a_100000747528_100000718602 [0,0,0,0,0,0|3,0,0]=3 1327 B12R0.5 CCCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210326 [0,0,0,0,0,0|4,0,0]=4 1328 B12R0.5 CCCCCNCCCOCCC 2230a_100011217757_100000210326 [0,0,0,0,0,0|3,0,1]=4 1329 B12R0.5 CCCCCNCCCOCCC 34a_100011217757_100000718602 [0,0,0,0,0,0|3,0,1]=4 1330 B12R0.5 CCCCCNCCOCCCC 2230a_100000209983_100000743108 [0,0,0,0,0,0|3,0,1]=4 1331 B12R0.5 CCCCCNCCOCCCC 34a_100000224656_100000210210 [0,0,0,0,0,0|3,0,1]=4 1332 B12R0.5 CCCCCNCCOCCCF 34a_100000224656_100011934791 [0,0,0,0,0,0|3,0,1]=4 1333 B12R0.5 CCCCCNCCOCCCO 34a_100000224656_100000230001 [0,0,0,0,0,0|2,0,2]=4 1334 B12R0.5 CCCCCNCCOCCOC 2230a_100000209983_100000695917 [0,0,0,0,0,0|4,0,0]=4 1335 B12R0.5 CCCCCNCCOCCOC 2230a_100000745349_100000210326 [0,0,0,0,0,0|4,0,0]=4 1336 B12R0.5 CCCCCNCCOCCOC 34a_100000224656_100011201679 [0,0,0,0,0,0|4,0,0]=4 1337 B12R0.5 CCCCCNCCOCCOC 34a_100000745349_100000718602 [0,0,0,0,0,0|4,0,0]=4 1338 B12R0.5 CCCCCNCCOCCSC 34a_100000224656_100000212216 [0,0,0,0,0,0|4,0,0]=4 1339 B12R0.5 CCCCCNCCSCCCC 2230a_100025743550_100000210326 [0,0,0,0,0,0|3,0,1]=4 1340 B12R0.5 CCCCCOCCCCCC#N 7a_100000210253_100009813376 [0,0,0,0,0,0|2,0,1]=3 1341 B12R0.5 CCCCCOCCCCCC=O 7a_100000210253_100000139337 [0,0,0,0,0,0|1,0,0]=1 1342 B12R0.5 CCCCCOCCCCCCBr 34a_100011215345_100000718602 [0,0,0,0,0,0|2,0,1]=3 1343 B12R0.5 CCCCCOCCCCCCBr 7a_100011215345_100000210326 [0,0,0,0,0,0|2,0,1]=3 1344 B12R0.5 CCCCCOCCCCCCCl 34a_100000766143_100000718602 [0,0,0,0,0,0|2,0,1]=3 1345 B12R0.5 CCCCCOCCCCCCCl 7a_100000766143_100000210326 [0,0,0,0,0,0|2,0,1]=3 1346 B12R0.5 CCCCCOCCCCCCF 34a_100000210253_100015922095 [0,0,0,0,0,0|2,0,1]=3 1347 B12R0.5 CCCCCOCCCCCCF 34a_100000732779_100000718602 [0,0,0,0,0,0|2,0,1]=3 1348 B12R0.5 CCCCCOCCCCCCF 7a_100000210253_100015922095 [0,0,0,0,0,0|2,0,1]=3 1349 B12R0.5 CCCCCOCCCCCCF 7a_100000732779_100000210326 [0,0,0,0,0,0|2,0,1]=3 1350 B12R0.5 CCCCCOCCCCCCN 34a_100000686447_100000718602 [0,0,0,0,0,0|2,0,1]=3 1351 B12R0.5 CCCCCOCCCCCCO 34a_100000210253_100000766143 [0,0,0,0,0,0|1,0,2]=3 1352 B12R0.5 CCCCCOCCCCCCO 7a_100000210253_100000766143 [0,0,0,0,0,0|1,0,2]=3 1353 B12R0.5 CCCCCOCCCCCNC 34a_100000722520_100000718602 [0,0,0,0,0,0|3,0,0]=3 1354 B12R0.5 CCCCCOCCOCCC#N 7a_100011215259_100000184422 [0,0,0,0,0,0|3,0,1]=4 1355 B12R0.5 CCCCCOCCOCCCC 34a_100000210238_100000718602 [0,0,0,0,0,0|3,0,1]=4 1356 B12R0.5 CCCCCOCCOCCCC 34a_100000210253_100000743108 [0,0,0,0,0,0|3,0,1]=4 1357 B12R0.5 CCCCCOCCOCCCC 34a_100011215259_100000210210 [0,0,0,0,0,0|3,0,1]=4 1358 B12R0.5 CCCCCOCCOCCCC 7a_100000210238_100000210326 [0,0,0,0,0,0|3,0,1]=4 1359 B12R0.5 CCCCCOCCOCCCC 7a_100000210253_100000743108 [0,0,0,0,0,0|3,0,1]=4 1360 B12R0.5 CCCCCOCCOCCCC 7a_100011215259_100000210211 [0,0,0,0,0,0|3,0,1]=4 1361 B12R0.5 CCCCCOCCOCCCF 34a_100011215259_100011934791 [0,0,0,0,0,0|3,0,1]=4 1362 B12R0.5 CCCCCOCCOCCCF 7a_100011215259_100011934791 [0,0,0,0,0,0|3,0,1]=4 1363 B12R0.5 CCCCCOCCOCCCO 34a_100011215259_100000230001 [0,0,0,0,0,0|2,0,2]=4 1364 B12R0.5 CCCCCOCCOCCCO 7a_100011215259_100011215043 [0,0,0,0,0,0|2,0,2]=4 1365 B12R0.5 CCCCCOCCOCCNC 34a_100000228057_100000718602 [0,0,0,0,0,0|4,0,0]=4 1366 B12R0.5 CCCCCOCCOCCOC 34a_100000210253_100000695917 [0,0,0,0,0,0|4,0,0]=4 1367 B12R0.5 CCCCCOCCOCCOC 34a_100011215163_100000718602 [0,0,0,0,0,0|4,0,0]=4 1368 B12R0.5 CCCCCOCCOCCOC 34a_100011215259_100011201679 [0,0,0,0,0,0|4,0,0]=4 1369 B12R0.5 CCCCCOCCOCCOC 7a_100000210253_100000695917 [0,0,0,0,0,0|4,0,0]=4 1370 B12R0.5 CCCCCOCCOCCOC 7a_100011215163_100000210326 [0,0,0,0,0,0|4,0,0]=4 1371 B12R0.5 CCCCCOCCOCCOC 7a_100011215259_100000233755 [0,0,0,0,0,0|4,0,0]=4 1372 B12R0.5 CCCCCOCCOCCSC 34a_100011215259_100000212216 [0,0,0,0,0,0|4,0,0]=4 1373 B12R0.5 CCCCCOCCOCCSC 7a_100011215259_100000212216 [0,0,0,0,0,0|4,0,0]=4 1374 B12R0.5 CCCCCOCCSCCCC 34a_200000230436_100000718602 [0,0,0,0,0,0|3,0,1]=4 1375 B12R0.5 CCCCCOCCSCCCC 7a_200000230436_100000210326 [0,0,0,0,0,0|3,0,1]=4 1376 B12R0.5 CCCCCSCCCCCC#N 62a_100000210326_100009813376 [0,0,0,0,0,0|2,0,1]=3 1377 B12R0.5 CCCCCSCCCCCC#N 62a_100009813376_100000210326 [0,0,0,0,0,0|2,0,1]=3 1378 B12R0.5 CCCCCSCCCCCC=O 62a_100000139337_100000210326 [0,0,0,0,0,0|1,0,0]=1 1379 B12R0.5 CCCCCSCCCCCC=O 62a_100000210326_100000139337 [0,0,0,0,0,0|1,0,0]=1 1380 B12R0.5 CCCCCSCCCCCCF 62a_100000210326_100015922095 [0,0,0,0,0,0|2,0,1]=3 1381 B12R0.5 CCCCCSCCCCCCF 62a_100015922095_100000210326 [0,0,0,0,0,0|2,0,1]=3 1382 B12R0.5 CCCCCSCCCCCCO 62a_100000210326_100000766143 [0,0,0,0,0,0|1,0,2]=3 1383 B12R0.5 CCCCCSCCCCCCO 62a_100000766143_100000210326 [0,0,0,0,0,0|1,0,2]=3 1384 B12R0.5 CCCCCSCCOCCCC 62a_100000210326_100000743108 [0,0,0,0,0,0|3,0,1]=4 1385 B12R0.5 CCCCCSCCOCCCC 62a_100000743108_100000210326 [0,0,0,0,0,0|3,0,1]=4 1386 B12R0.5 CCCCCSCCOCCOC 62a_100000210326_100000695917 [0,0,0,0,0,0|4,0,0]=4 1387 B12R0.5 CCCCCSCCOCCOC 62a_100000695917_100000210326 [0,0,0,0,0,0|4,0,0]=4 1388 B12R0.5 CCCCNCCCCCCC#N 2230a_100000102301_100009813337 [0,0,0,0,0,0|2,0,1]=3 1389 B12R0.5 CCCCNCCCCCCC#N 7a_106832991798_100009813337 [0,0,0,0,0,0|2,0,1]=3 1390 B12R0.5 CCCCNCCCCCCCO 2230a_100000102301_100000760002 [0,0,0,0,0,0|1,0,2]=3 1391 B12R0.5 CCCCNCCCCCCCO 2230a_100011996573_100000210211 [0,0,0,0,0,0|1,0,2]=3 1392 B12R0.5 CCCCNCCCCCCCO 34a_100011996573_100000210210 [0,0,0,0,0,0|1,0,2]=3 1393 B12R0.5 CCCCNCCCCCCCO 7a_106832991798_100000760002 [0,0,0,0,0,0|1,0,2]=3 1394 B12R0.5 CCCCNCCCCCCOC 2230a_100000102301_100011998445 [0,0,0,0,0,0|3,0,0]=3 1395 B12R0.5 CCCCNCCCCCCOC 7a_106832991798_100011998445 [0,0,0,0,0,0|3,0,0]=3 1396 B12R0.5 CCCCNCCCCOCC=O 34a_200011216965_200009817547 [0,0,0,0,0,0|2,0,0]=2 1397 B12R0.5 CCCCNCCCCOCCC 34a_200011216965_100000210303 [0,0,0,0,0,0|3,0,1]=4 1398 B12R0.5 CCCCNCCCCOCCF 34a_200011216965_100011217306 [0,0,0,0,0,0|3,0,1]=4 1399 B12R0.5 CCCCNCCCCOCCO 34a_200011216965_100000211926 [0,0,0,0,0,0|2,0,2]=4 1400 B12R0.5 CCCCNCCCCOCSC 34a_200011216965_100011218213 [0,0,0,0,0,0|4,0,0]=4 1401 B12R0.5 CCCCNCCCOCCCC 2230a_200000211371_100000210211 [0,0,0,0,0,0|3,0,1]=4 1402 B12R0.5 CCCCNCCCOCCCC 34a_200000211371_100000210210 [0,0,0,0,0,0|3,0,1]=4 1403 B12R0.5 CCCCNCCCOCCCO 2230a_100011310245_100000210211 [0,0,0,0,0,0|2,0,2]=4 1404 B12R0.5 CCCCNCCCOCCCO 34a_100011310245_100000210210 [0,0,0,0,0,0|2,0,2]=4 1405 B12R0.5 CCCCNCCCOCCOC 2230a_100000102301_100011216529 [0,0,0,0,0,0|4,0,0]=4 1406 B12R0.5 CCCCNCCCOCCOC 2230a_100000206027_100000210211 [0,0,0,0,0,0|4,0,0]=4 1407 B12R0.5 CCCCNCCCOCCOC 34a_100000206027_100000210210 [0,0,0,0,0,0|4,0,0]=4 1408 B12R0.5 CCCCNCCCOCCOC 7a_106832991798_100011216529 [0,0,0,0,0,0|4,0,0]=4 1409 B12R0.5 CCCCOCCCCCCC#N 7a_100000210227_100009813337 [0,0,0,0,0,0|2,0,1]=3 1410 B12R0.5 CCCCOCCCCCCCBr 34a_100000760002_100000210210 [0,0,0,0,0,0|2,0,1]=3 1411 B12R0.5 CCCCOCCCCCCCBr 7a_100000760002_100000210211 [0,0,0,0,0,0|2,0,1]=3 1412 B12R0.5 CCCCOCCCCCCCN 34a_100011996573_100000210210 [0,0,0,0,0,0|2,0,1]=3 1413 B12R0.5 CCCCOCCCCCCCO 34a_100000210227_100000760002 [0,0,0,0,0,0|1,0,2]=3 1414 B12R0.5 CCCCOCCCCCCCO 7a_100000210227_100000760002 [0,0,0,0,0,0|1,0,2]=3 1415 B12R0.5 CCCCOCCCCCCOC 34a_100000210227_100011998445 [0,0,0,0,0,0|3,0,0]=3 1416 B12R0.5 CCCCOCCCCCCOC 34a_200012092642_100000210210 [0,0,0,0,0,0|3,0,0]=3 1417 B12R0.5 CCCCOCCCCCCOC 7a_100000210227_100011998445 [0,0,0,0,0,0|3,0,0]=3 1418 B12R0.5 CCCCOCCCCCCOC 7a_200012092642_100000210211 [0,0,0,0,0,0|3,0,0]=3 1419 B12R0.5 CCCCOCCCCOCC#N 7a_200000760531_100011215382 [0,0,0,0,0,0|3,0,1]=4 1420 B12R0.5 CCCCOCCCCOCC=O 34a_200000760531_200009817547 [0,0,0,0,0,0|2,0,0]=2 1421 B12R0.5 CCCCOCCCCOCC=O 7a_200000760531_200015260668 [0,0,0,0,0,0|2,0,0]=2 1422 B12R0.5 CCCCOCCCCOCCC 34a_200000760531_100000210303 [0,0,0,0,0,0|3,0,1]=4 1423 B12R0.5 CCCCOCCCCOCCC 7a_200000760531_100000210303 [0,0,0,0,0,0|3,0,1]=4 1424 B12R0.5 CCCCOCCCCOCCF 34a_200000760531_100011217306 [0,0,0,0,0,0|3,0,1]=4 1425 B12R0.5 CCCCOCCCCOCCF 7a_200000760531_100011217306 [0,0,0,0,0,0|3,0,1]=4 1426 B12R0.5 CCCCOCCCCOCCO 34a_200000760531_100000211926 [0,0,0,0,0,0|2,0,2]=4 1427 B12R0.5 CCCCOCCCCOCCO 7a_200000760531_100000211926 [0,0,0,0,0,0|2,0,2]=4 1428 B12R0.5 CCCCOCCCCOCSC 34a_200000760531_100011218213 [0,0,0,0,0,0|4,0,0]=4 1429 B12R0.5 CCCCOCCCNCCC#N 2230a_200000211371_100011215226 [0,0,0,0,0,0|3,0,1]=4 1430 B12R0.5 CCCCOCCCNCCCF 2230a_200000211371_100011934791 [0,0,0,0,0,0|3,0,1]=4 1431 B12R0.5 CCCCOCCCNCCCF 34a_200000211371_100011934791 [0,0,0,0,0,0|3,0,1]=4 1432 B12R0.5 CCCCOCCCNCCCO 2230a_200000211371_100000230001 [0,0,0,0,0,0|2,0,2]=4 1433 B12R0.5 CCCCOCCCNCCCO 34a_200000211371_100000230001 [0,0,0,0,0,0|2,0,2]=4 1434 B12R0.5 CCCCOCCCNCCOC 2230a_200000211371_100011201679 [0,0,0,0,0,0|4,0,0]=4 1435 B12R0.5 CCCCOCCCNCCOC 34a_200000211371_100011201679 [0,0,0,0,0,0|4,0,0]=4 1436 B12R0.5 CCCCOCCCNCCSC 2230a_200000211371_100000751147 [0,0,0,0,0,0|4,0,0]=4 1437 B12R0.5 CCCCOCCCNCCSC 34a_200000211371_100000212216 [0,0,0,0,0,0|4,0,0]=4 1438 B12R0.5 CCCCOCCCOCCC#N 7a_200011215613_100000184422 [0,0,0,0,0,0|3,0,1]=4 1439 B12R0.5 CCCCOCCCOCCCC 34a_200011215613_100000210210 [0,0,0,0,0,0|3,0,1]=4 1440 B12R0.5 CCCCOCCCOCCCC 7a_200011215613_100000210211 [0,0,0,0,0,0|3,0,1]=4 1441 B12R0.5 CCCCOCCCOCCCF 34a_200011215613_100011934791 [0,0,0,0,0,0|3,0,1]=4 1442 B12R0.5 CCCCOCCCOCCCF 7a_200011215613_100011934791 [0,0,0,0,0,0|3,0,1]=4 1443 B12R0.5 CCCCOCCCOCCCN 34a_100011310245_100000210210 [0,0,0,0,0,0|3,0,1]=4 1444 B12R0.5 CCCCOCCCOCCCO 34a_200011215613_100000230001 [0,0,0,0,0,0|2,0,2]=4 1445 B12R0.5 CCCCOCCCOCCCO 7a_200011215613_100011215043 [0,0,0,0,0,0|2,0,2]=4 1446 B12R0.5 CCCCOCCCOCCOC 34a_100000210227_100011216529 [0,0,0,0,0,0|4,0,0]=4 1447 B12R0.5 CCCCOCCCOCCOC 34a_200011215613_100011201679 [0,0,0,0,0,0|4,0,0]=4 1448 B12R0.5 CCCCOCCCOCCOC 7a_100000210227_100011216529 [0,0,0,0,0,0|4,0,0]=4 1449 B12R0.5 CCCCOCCCOCCOC 7a_200011215613_100000233755 [0,0,0,0,0,0|4,0,0]=4 1450 B12R0.5 CCCCOCCCOCCSC 34a_200011215613_100000212216 [0,0,0,0,0,0|4,0,0]=4 1451 B12R0.5 CCCCOCCCOCCSC 7a_200011215613_100000212216 [0,0,0,0,0,0|4,0,0]=4 1452 B12R0.5 CCCCOCCNCCCCO 2230a_100000750430_100000743108 [0,0,0,0,0,0|2,0,2]=4 1453 B12R0.5 CCCCOCCNCCCCO 34a_100000750430_100000743108 [0,0,0,0,0,0|2,0,2]=4 1454 B12R0.5 CCCCOCCNCCCOC 34a_100150723488_100000743108 [0,0,0,0,0,0|4,0,0]=4 1455 B12R0.5 CCCCOCCNCCCSC 2230a_100000749238_100000743108 [0,0,0,0,0,0|4,0,0]=4 1456 B12R0.5 CCCCOCCOCCCC#N 7a_100000210238_100000687738 [0,0,0,0,0,0|3,0,1]=4 1457 B12R0.5 CCCCOCCOCCCC=O 7a_100000210238_200011292268 [0,0,0,0,0,0|2,0,0]=2 1458 B12R0.5 CCCCOCCOCCCCBr 34a_100011216708_100000743108 [0,0,0,0,0,0|3,0,1]=4 1459 B12R0.5 CCCCOCCOCCCCCl 34a_100000210776_100000743108 [0,0,0,0,0,0|3,0,1]=4 1460 B12R0.5 CCCCOCCOCCCCCl 7a_100000210776_100000743108 [0,0,0,0,0,0|3,0,1]=4 1461 B12R0.5 CCCCOCCOCCCCF 34a_100000210238_100000729493 [0,0,0,0,0,0|3,0,1]=4 1462 B12R0.5 CCCCOCCOCCCCF 34a_100011995726_100000743108 [0,0,0,0,0,0|3,0,1]=4 1463 B12R0.5 CCCCOCCOCCCCF 7a_100000210238_100000729493 [0,0,0,0,0,0|3,0,1]=4 1464 B12R0.5 CCCCOCCOCCCCF 7a_100011995726_100000743108 [0,0,0,0,0,0|3,0,1]=4 1465 B12R0.5 CCCCOCCOCCCCI 34a_200012148704_100000743108 [0,0,0,0,0,0|3,0,1]=4 1466 B12R0.5 CCCCOCCOCCCCN 34a_100000750430_100000743108 [0,0,0,0,0,0|3,0,1]=4 1467 B12R0.5 CCCCOCCOCCCCO 34a_100000210238_100011216708 [0,0,0,0,0,0|2,0,2]=4 1468 B12R0.5 CCCCOCCOCCCCO 7a_100000210238_100000210776 [0,0,0,0,0,0|2,0,2]=4 1469 B12R0.5 CCCCOCCOCCCNC 34a_100000213112_100000743108 [0,0,0,0,0,0|4,0,0]=4 1470 B12R0.5 CCCCOCCOCCCOC 34a_100000210238_100000740836 [0,0,0,0,0,0|4,0,0]=4 1471 B12R0.5 CCCCOCCOCCCOC 34a_100000740835_100000743108 [0,0,0,0,0,0|4,0,0]=4 1472 B12R0.5 CCCCOCCOCCCOC 7a_100000210238_100000740836 [0,0,0,0,0,0|4,0,0]=4 1473 B12R0.5 CCCCOCCOCCCSC 34a_100000690336_100000743108 [0,0,0,0,0,0|4,0,0]=4 1474 B12R0.5 CCCCOCCOCCCSC 7a_100000690336_100000743108 [0,0,0,0,0,0|4,0,0]=4 1475 B12R0.5 CCCCOCCSCCCC#N 62a_100000687738_100000743108 [0,0,0,0,0,0|3,0,1]=4 1476 B12R0.5 CCCCOCCSCCCC#N 62a_100000743108_100000687738 [0,0,0,0,0,0|3,0,1]=4 1477 B12R0.5 CCCCOCCSCCCC=O 62a_100000743108_200011292268 [0,0,0,0,0,0|2,0,0]=2 1478 B12R0.5 CCCCOCCSCCCC=O 62a_200011292268_100000743108 [0,0,0,0,0,0|2,0,0]=2 1479 B12R0.5 CCCCOCCSCCCCF 62a_100000729493_100000743108 [0,0,0,0,0,0|3,0,1]=4 1480 B12R0.5 CCCCOCCSCCCCF 62a_100000743108_100000729493 [0,0,0,0,0,0|3,0,1]=4 1481 B12R0.5 CCCCOCCSCCCCO 62a_100000210776_100000743108 [0,0,0,0,0,0|2,0,2]=4 1482 B12R0.5 CCCCOCCSCCCCO 62a_100000743108_100000210776 [0,0,0,0,0,0|2,0,2]=4 1483 B12R0.5 CCCCOCCSCCCOC 62a_100000709357_100000743108 [0,0,0,0,0,0|4,0,0]=4 1484 B12R0.5 CCCCOCCSCCCOC 62a_100000743108_100000709357 [0,0,0,0,0,0|4,0,0]=4 1485 B12R0.5 CCCCOCNCCCCCO 2230a_100000762737_100011995733 [0,0,0,0,0,0|2,0,2]=4 1486 B12R0.5 CCCCOCNCCCCCO 34a_100000762737_100011995733 [0,0,0,0,0,0|2,0,2]=4 1487 B12R0.5 CCCCOCOCCCCCBr 34a_100000746331_100011995733 [0,0,0,0,0,0|3,0,1]=4 1488 B12R0.5 CCCCOCOCCCCCCl 34a_100000746330_100011995733 [0,0,0,0,0,0|3,0,1]=4 1489 B12R0.5 CCCCOCOCCCCCI 34a_200012148887_100011995733 [0,0,0,0,0,0|3,0,1]=4 1490 B12R0.5 CCCCOCOCCCCCN 34a_100000762737_100011995733 [0,0,0,0,0,0|3,0,1]=4 1491 B12R0.5 CCCCOCOCCCCOC 34a_100000740925_100011995733 [0,0,0,0,0,0|4,0,0]=4 1492 B12R0.5 CCCCOCOCCCCSC 34a_100011217163_100011995733 [0,0,0,0,0,0|4,0,0]=4 1493 B12R0.5 CCCCOCSCCCCC#N 62a_100011219923_100011995733 [0,0,0,0,0,0|3,0,1]=4 1494 B12R0.5 CCCCOCSCCCCC#N 62a_100011995733_100000211819 [0,0,0,0,0,0|3,0,1]=4 1495 B12R0.5 CCCCOCSCCCCC=O 62a_100000139335_100011995733 [0,0,0,0,0,0|2,0,0]=2 1496 B12R0.5 CCCCOCSCCCCC=O 62a_100011995733_100000139335 [0,0,0,0,0,0|2,0,0]=2 1497 B12R0.5 CCCCOCSCCCCCF 62a_100000729378_100011995733 [0,0,0,0,0,0|3,0,1]=4 1498 B12R0.5 CCCCOCSCCCCCF 62a_100011995733_100000729378 [0,0,0,0,0,0|3,0,1]=4 1499 B12R0.5 CCCCOCSCCCCCO 62a_100000746330_100011995733 [0,0,0,0,0,0|2,0,2]=4 1500 B12R0.5 CCCCOCSCCCCCO 62a_100011995733_100000746330 [0,0,0,0,0,0|2,0,2]=4 1501 B12R0.5 CCCCOCSCCCCOC 62a_100000730899_100011995733 [0,0,0,0,0,0|4,0,0]=4 1502 B12R0.5 CCCCOCSCCCCOC 62a_100011995733_100000730899 [0,0,0,0,0,0|4,0,0]=4 1503 B12R0.5 CCCCSCCCCCCC#N 62a_100000210211_100009813337 [0,0,0,0,0,0|2,0,1]=3 1504 B12R0.5 CCCCSCCCCCCC#N 62a_100009813337_100000210210 [0,0,0,0,0,0|2,0,1]=3 1505 B12R0.5 CCCCSCCCCCCCO 62a_100000210211_100000760002 [0,0,0,0,0,0|1,0,2]=3 1506 B12R0.5 CCCCSCCCCCCCO 62a_100000760002_100000210210 [0,0,0,0,0,0|1,0,2]=3 1507 B12R0.5 CCCCSCCCCCCOC 62a_100000210211_100011998445 [0,0,0,0,0,0|3,0,0]=3 1508 B12R0.5 CCCCSCCCCCCOC 62a_100011998445_100000210210 [0,0,0,0,0,0|3,0,0]=3 1509 B12R0.5 CCCCSCCCOCCOC 62a_100000210211_100011216529 [0,0,0,0,0,0|4,0,0]=4 1510 B12R0.5 CCCCSCCCOCCOC 62a_100011216529_100000210210 [0,0,0,0,0,0|4,0,0]=4 1511 B12R0.5 CCCCSCCNCCCC#N 2230a_100025743550_100000687738 [0,0,0,0,0,0|3,0,1]=4 1512 B12R0.5 CCCCSCCNCCCC=O 2230a_100025743550_200011292268 [0,0,0,0,0,0|2,0,0]=2 1513 B12R0.5 CCCCSCCNCCCCF 2230a_100025743550_100000729493 [0,0,0,0,0,0|3,0,1]=4 1514 B12R0.5 CCCCSCCNCCCCO 2230a_100025743550_100000210776 [0,0,0,0,0,0|2,0,2]=4 1515 B12R0.5 CCCCSCCNCCCOC 2230a_100025743550_100000740836 [0,0,0,0,0,0|4,0,0]=4 1516 B12R0.5 CCCCSCCOCCCC#N 7a_200000230436_100000687738 [0,0,0,0,0,0|3,0,1]=4 1517 B12R0.5 CCCCSCCOCCCC=O 7a_200000230436_200011292268 [0,0,0,0,0,0|2,0,0]=2 1518 B12R0.5 CCCCSCCOCCCCF 34a_200000230436_100000729493 [0,0,0,0,0,0|3,0,1]=4 1519 B12R0.5 CCCCSCCOCCCCF 7a_200000230436_100000729493 [0,0,0,0,0,0|3,0,1]=4 1520 B12R0.5 CCCCSCCOCCCCO 34a_200000230436_100011216708 [0,0,0,0,0,0|2,0,2]=4 1521 B12R0.5 CCCCSCCOCCCCO 7a_200000230436_100000210776 [0,0,0,0,0,0|2,0,2]=4 1522 B12R0.5 CCCCSCCOCCCOC 34a_200000230436_100000740836 [0,0,0,0,0,0|4,0,0]=4 1523 B12R0.5 CCCCSCCOCCCOC 7a_200000230436_100000740836 [0,0,0,0,0,0|4,0,0]=4 1524 B12R0.5 CCCNCCCCCCCCO 2230a_102515433106_100000210303 [0,0,0,0,0,0|1,0,2]=3 1525 B12R0.5 CCCNCCCCCCCCO 34a_102515433106_100000210303 [0,0,0,0,0,0|1,0,2]=3 1526 B12R0.5 CCCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210303 [0,0,0,0,0,0|4,0,0]=4 1527 B12R0.5 CCCOCCCCCCCCBr 34a_100009813846_100000210303 [0,0,0,0,0,0|2,0,1]=3 1528 B12R0.5 CCCOCCCCCCCCBr 7a_100009813846_100000210303 [0,0,0,0,0,0|2,0,1]=3 1529 B12R0.5 CCCOCCCCCCCCCl 34a_100000033203_100000210303 [0,0,0,0,0,0|2,0,1]=3 1530 B12R0.5 CCCOCCCCCCCCCl 7a_100000033203_100000210303 [0,0,0,0,0,0|2,0,1]=3 1531 B12R0.5 CCCOCCCCCCCCN 34a_102515433106_100000210303 [0,0,0,0,0,0|2,0,1]=3 1532 B12R0.5 CCCOCCCCCCCCO 34a_100000210258_100000033203 [0,0,0,0,0,0|1,0,2]=3 1533 B12R0.5 CCCOCCCCCNCCN 34a_103619048469_100000210303 [0,0,0,0,0,0|3,0,1]=4 1534 B12R0.5 CCCOCCCNCCCC#N 2230a_100011217757_100000687738 [0,0,0,0,0,0|3,0,1]=4 1535 B12R0.5 CCCOCCCNCCCC=O 2230a_100011217757_200011292268 [0,0,0,0,0,0|2,0,0]=2 1536 B12R0.5 CCCOCCCNCCCCF 2230a_100011217757_100000729493 [0,0,0,0,0,0|3,0,1]=4 1537 B12R0.5 CCCOCCCNCCCCF 34a_100011217757_100000729493 [0,0,0,0,0,0|3,0,1]=4 1538 B12R0.5 CCCOCCCNCCCCO 2230a_100011217757_100000210776 [0,0,0,0,0,0|2,0,2]=4 1539 B12R0.5 CCCOCCCNCCCCO 34a_100011217757_100011216708 [0,0,0,0,0,0|2,0,2]=4 1540 B12R0.5 CCCOCCCNCCCOC 2230a_100011217757_100000740836 [0,0,0,0,0,0|4,0,0]=4 1541 B12R0.5 CCCOCCCNCCCOC 34a_100011217757_100000740836 [0,0,0,0,0,0|4,0,0]=4 1542 B12R0.5 CCCOCCCOCCCOC 34a_200011215475_100000210303 [0,0,0,0,0,0|4,0,0]=4 1543 B12R0.5 CCCOCCCOCCCOC 7a_200011215475_100000210303 [0,0,0,0,0,0|4,0,0]=4 1544 B12R0.5 CCCOCCNCCCCC#N 2230a_100161115042_100000211819 [0,0,0,0,0,0|3,0,1]=4 1545 B12R0.5 CCCOCCNCCCCC=O 2230a_100161115042_100000139335 [0,0,0,0,0,0|2,0,0]=2 1546 B12R0.5 CCCOCCNCCCCCF 2230a_100161115042_100000729378 [0,0,0,0,0,0|3,0,1]=4 1547 B12R0.5 CCCOCCNCCCCCF 34a_100161115042_100000729378 [0,0,0,0,0,0|3,0,1]=4 1548 B12R0.5 CCCOCCNCCCCCO 2230a_100000762737_100011215938 [0,0,0,0,0,0|2,0,2]=4 1549 B12R0.5 CCCOCCNCCCCCO 2230a_100161115042_100000746330 [0,0,0,0,0,0|2,0,2]=4 1550 B12R0.5 CCCOCCNCCCCCO 34a_100000762737_100011215938 [0,0,0,0,0,0|2,0,2]=4 1551 B12R0.5 CCCOCCNCCCCCO 34a_100161115042_100000746330 [0,0,0,0,0,0|2,0,2]=4 1552 B12R0.5 CCCOCCNCCCCOC 2230a_100161115042_100000730899 [0,0,0,0,0,0|4,0,0]=4 1553 B12R0.5 CCCOCCNCCCCOC 34a_100161115042_100000755781 [0,0,0,0,0,0|4,0,0]=4 1554 B12R0.5 CCCOCCOCCCCC#N 7a_100000752267_100000211819 [0,0,0,0,0,0|3,0,1]=4 1555 B12R0.5 CCCOCCOCCCCC=O 7a_100000752267_100000139335 [0,0,0,0,0,0|2,0,0]=2 1556 B12R0.5 CCCOCCOCCCCCBr 34a_100000746331_100011215938 [0,0,0,0,0,0|3,0,1]=4 1557 B12R0.5 CCCOCCOCCCCCBr 7a_100000746331_100011215938 [0,0,0,0,0,0|3,0,1]=4 1558 B12R0.5 CCCOCCOCCCCCCl 34a_100000746330_100011215938 [0,0,0,0,0,0|3,0,1]=4 1559 B12R0.5 CCCOCCOCCCCCCl 7a_100000746330_100011215938 [0,0,0,0,0,0|3,0,1]=4 1560 B12R0.5 CCCOCCOCCCCCF 34a_100000752267_100000729378 [0,0,0,0,0,0|3,0,1]=4 1561 B12R0.5 CCCOCCOCCCCCF 7a_100000752267_100000729378 [0,0,0,0,0,0|3,0,1]=4 1562 B12R0.5 CCCOCCOCCCCCI 34a_200012148887_100011215938 [0,0,0,0,0,0|3,0,1]=4 1563 B12R0.5 CCCOCCOCCCCCI 7a_200012148887_100011215938 [0,0,0,0,0,0|3,0,1]=4 1564 B12R0.5 CCCOCCOCCCCCN 34a_100000762737_100011215938 [0,0,0,0,0,0|3,0,1]=4 1565 B12R0.5 CCCOCCOCCCCCO 34a_100000752267_100000746330 [0,0,0,0,0,0|2,0,2]=4 1566 B12R0.5 CCCOCCOCCCCCO 7a_100000752267_100000746330 [0,0,0,0,0,0|2,0,2]=4 1567 B12R0.5 CCCOCCOCCCCOC 34a_100000740925_100011215938 [0,0,0,0,0,0|4,0,0]=4 1568 B12R0.5 CCCOCCOCCCCOC 34a_100000752267_100000755781 [0,0,0,0,0,0|4,0,0]=4 1569 B12R0.5 CCCOCCOCCCCOC 7a_100000752267_100000730899 [0,0,0,0,0,0|4,0,0]=4 1570 B12R0.5 CCCOCCOCCCCSC 34a_100011217163_100011215938 [0,0,0,0,0,0|4,0,0]=4 1571 B12R0.5 CCCOCCOCCCCSC 7a_100011217163_100011215938 [0,0,0,0,0,0|4,0,0]=4 1572 B12R0.5 CCCOCCOCCNCC=O 2230a_200011904461_200015260668 [0,0,0,0,0,0|3,0,0]=3 1573 B12R0.5 CCCOCCOCCNCC=O 34a_200011904461_200009817547 [0,0,0,0,0,0|3,0,0]=3 1574 B12R0.5 CCCOCCSCCCCC#N 62a_100011215938_100000211819 [0,0,0,0,0,0|3,0,1]=4 1575 B12R0.5 CCCOCCSCCCCC#N 62a_100011219923_100011215938 [0,0,0,0,0,0|3,0,1]=4 1576 B12R0.5 CCCOCCSCCCCC=O 62a_100000139335_100011215938 [0,0,0,0,0,0|2,0,0]=2 1577 B12R0.5 CCCOCCSCCCCC=O 62a_100011215938_100000139335 [0,0,0,0,0,0|2,0,0]=2 1578 B12R0.5 CCCOCCSCCCCCF 62a_100000729378_100011215938 [0,0,0,0,0,0|3,0,1]=4 1579 B12R0.5 CCCOCCSCCCCCF 62a_100011215938_100000729378 [0,0,0,0,0,0|3,0,1]=4 1580 B12R0.5 CCCOCCSCCCCCO 62a_100000746330_100011215938 [0,0,0,0,0,0|2,0,2]=4 1581 B12R0.5 CCCOCCSCCCCCO 62a_100011215938_100000746330 [0,0,0,0,0,0|2,0,2]=4 1582 B12R0.5 CCCOCCSCCCCOC 62a_100000730899_100011215938 [0,0,0,0,0,0|4,0,0]=4 1583 B12R0.5 CCCOCCSCCCCOC 62a_100011215938_100000730899 [0,0,0,0,0,0|4,0,0]=4 1584 B12R0.5 CCCSCCCCCCCCO 62a_100000033203_100000210303 [0,0,0,0,0,0|1,0,2]=3 1585 B12R0.5 CCCSCCCCCCCCO 62a_100000210303_100000033203 [0,0,0,0,0,0|1,0,2]=3 1586 B12R0.5 CCCSCCNCCCCC#N 2230a_100020603323_100000211819 [0,0,0,0,0,0|3,0,1]=4 1587 B12R0.5 CCCSCCNCCCCC=O 2230a_100020603323_100000139335 [0,0,0,0,0,0|2,0,0]=2 1588 B12R0.5 CCCSCCNCCCCCF 2230a_100020603323_100000729378 [0,0,0,0,0,0|3,0,1]=4 1589 B12R0.5 CCCSCCNCCCCCO 2230a_100020603323_100000746330 [0,0,0,0,0,0|2,0,2]=4 1590 B12R0.5 CCCSCCNCCCCOC 2230a_100020603323_100000730899 [0,0,0,0,0,0|4,0,0]=4 1591 B12R0.5 CCCSCCOCCCCC#N 7a_200000230433_100000211819 [0,0,0,0,0,0|3,0,1]=4 1592 B12R0.5 CCCSCCOCCCCC=O 7a_200000230433_100000139335 [0,0,0,0,0,0|2,0,0]=2 1593 B12R0.5 CCCSCCOCCCCCF 34a_200000230433_100000729378 [0,0,0,0,0,0|3,0,1]=4 1594 B12R0.5 CCCSCCOCCCCCF 7a_200000230433_100000729378 [0,0,0,0,0,0|3,0,1]=4 1595 B12R0.5 CCCSCCOCCCCCO 34a_200000230433_100000746330 [0,0,0,0,0,0|2,0,2]=4 1596 B12R0.5 CCCSCCOCCCCCO 7a_200000230433_100000746330 [0,0,0,0,0,0|2,0,2]=4 1597 B12R0.5 CCCSCCOCCCCOC 34a_200000230433_100000755781 [0,0,0,0,0,0|4,0,0]=4 1598 B12R0.5 CCCSCCOCCCCOC 7a_200000230433_100000730899 [0,0,0,0,0,0|4,0,0]=4 1599 B12R0.5 CCNCCCCCCCCCO 2230a_100000078944_100000210202 [0,0,0,0,0,0|1,0,2]=3 1600 B12R0.5 CCNCCCCCCCCCO 2230a_100015525214_100009813782 [0,0,0,0,0,0|1,0,2]=3 1601 B12R0.5 CCNCCCCCCCCCO 34a_100000078944_100000210202 [0,0,0,0,0,0|1,0,2]=3 1602 B12R0.5 CCOCCCCCCCCCBr 34a_100009813782_100000210202 [0,0,0,0,0,0|2,0,1]=3 1603 B12R0.5 CCOCCCCCCCCCBr 7a_100009813782_100000210202 [0,0,0,0,0,0|2,0,1]=3 1604 B12R0.5 CCOCCCCCCCCCCl 34a_100009868337_100000210202 [0,0,0,0,0,0|2,0,1]=3 1605 B12R0.5 CCOCCCCCCCCCCl 7a_100009868337_100000210202 [0,0,0,0,0,0|2,0,1]=3 1606 B12R0.5 CCOCCCCCCCCCN 34a_100000078944_100000210202 [0,0,0,0,0,0|2,0,1]=3 1607 B12R0.5 CCOCCCCCCCCCO 34a_100121572206_100009813782 [0,0,0,0,0,0|1,0,2]=3 1608 B12R0.5 CCOCCCNCCCCC#N 2230a_100000210961_100000211819 [0,0,0,0,0,0|3,0,1]=4 1609 B12R0.5 CCOCCCNCCCCC=O 2230a_100000210961_100000139335 [0,0,0,0,0,0|2,0,0]=2 1610 B12R0.5 CCOCCCNCCCCCF 2230a_100000210961_100000729378 [0,0,0,0,0,0|3,0,1]=4 1611 B12R0.5 CCOCCCNCCCCCF 34a_100000210961_100000729378 [0,0,0,0,0,0|3,0,1]=4 1612 B12R0.5 CCOCCCNCCCCCO 2230a_100000210961_100000746330 [0,0,0,0,0,0|2,0,2]=4 1613 B12R0.5 CCOCCCNCCCCCO 2230a_100000762737_100012232248 [0,0,0,0,0,0|2,0,2]=4 1614 B12R0.5 CCOCCCNCCCCCO 34a_100000210961_100000746330 [0,0,0,0,0,0|2,0,2]=4 1615 B12R0.5 CCOCCCNCCCCCO 34a_100000762737_100012232248 [0,0,0,0,0,0|2,0,2]=4 1616 B12R0.5 CCOCCCNCCCCOC 2230a_100000210961_100000730899 [0,0,0,0,0,0|4,0,0]=4 1617 B12R0.5 CCOCCCNCCCCOC 34a_100000210961_100000755781 [0,0,0,0,0,0|4,0,0]=4 1618 B12R0.5 CCOCCCOCCCCC#N 7a_100000757476_100000211819 [0,0,0,0,0,0|3,0,1]=4 1619 B12R0.5 CCOCCCOCCCCC=O 7a_100000757476_100000139335 [0,0,0,0,0,0|2,0,0]=2 1620 B12R0.5 CCOCCCOCCCCCBr 34a_100000746331_100012232248 [0,0,0,0,0,0|3,0,1]=4 1621 B12R0.5 CCOCCCOCCCCCBr 7a_100000746331_100012232248 [0,0,0,0,0,0|3,0,1]=4 1622 B12R0.5 CCOCCCOCCCCCCl 34a_100000746330_100012232248 [0,0,0,0,0,0|3,0,1]=4 1623 B12R0.5 CCOCCCOCCCCCCl 7a_100000746330_100012232248 [0,0,0,0,0,0|3,0,1]=4 1624 B12R0.5 CCOCCCOCCCCCF 34a_100000757476_100000729378 [0,0,0,0,0,0|3,0,1]=4 1625 B12R0.5 CCOCCCOCCCCCF 7a_100000757476_100000729378 [0,0,0,0,0,0|3,0,1]=4 1626 B12R0.5 CCOCCCOCCCCCI 34a_200012148887_100012232248 [0,0,0,0,0,0|3,0,1]=4 1627 B12R0.5 CCOCCCOCCCCCI 7a_200012148887_100012232248 [0,0,0,0,0,0|3,0,1]=4 1628 B12R0.5 CCOCCCOCCCCCN 34a_100000762737_100012232248 [0,0,0,0,0,0|3,0,1]=4 1629 B12R0.5 CCOCCCOCCCCCO 34a_100000757476_100000746330 [0,0,0,0,0,0|2,0,2]=4 1630 B12R0.5 CCOCCCOCCCCCO 7a_100000757476_100000746330 [0,0,0,0,0,0|2,0,2]=4 1631 B12R0.5 CCOCCCOCCCCOC 34a_100000740925_100012232248 [0,0,0,0,0,0|4,0,0]=4 1632 B12R0.5 CCOCCCOCCCCOC 34a_100000757476_100000755781 [0,0,0,0,0,0|4,0,0]=4 1633 B12R0.5 CCOCCCOCCCCOC 7a_100000757476_100000730899 [0,0,0,0,0,0|4,0,0]=4 1634 B12R0.5 CCOCCCOCCCCSC 34a_100011217163_100012232248 [0,0,0,0,0,0|4,0,0]=4 1635 B12R0.5 CCOCCCOCCCCSC 7a_100011217163_100012232248 [0,0,0,0,0,0|4,0,0]=4 1636 B12R0.5 CCOCCCSCCCCC#N 62a_100011219923_100012232248 [0,0,0,0,0,0|3,0,1]=4 1637 B12R0.5 CCOCCCSCCCCC#N 62a_100012232248_100000211819 [0,0,0,0,0,0|3,0,1]=4 1638 B12R0.5 CCOCCCSCCCCC=O 62a_100000139335_100012232248 [0,0,0,0,0,0|2,0,0]=2 1639 B12R0.5 CCOCCCSCCCCC=O 62a_100012232248_100000139335 [0,0,0,0,0,0|2,0,0]=2 1640 B12R0.5 CCOCCCSCCCCCF 62a_100000729378_100012232248 [0,0,0,0,0,0|3,0,1]=4 1641 B12R0.5 CCOCCCSCCCCCF 62a_100012232248_100000729378 [0,0,0,0,0,0|3,0,1]=4 1642 B12R0.5 CCOCCCSCCCCCO 62a_100000746330_100012232248 [0,0,0,0,0,0|2,0,2]=4 1643 B12R0.5 CCOCCCSCCCCCO 62a_100012232248_100000746330 [0,0,0,0,0,0|2,0,2]=4 1644 B12R0.5 CCOCCCSCCCCOC 62a_100000730899_100012232248 [0,0,0,0,0,0|4,0,0]=4 1645 B12R0.5 CCOCCCSCCCCOC 62a_100012232248_100000730899 [0,0,0,0,0,0|4,0,0]=4 1646 B12R0.5 CCOCCNCCCCCC#N 2230a_102516460346_100009813376 [0,0,0,0,0,0|3,0,1]=4 1647 B12R0.5 CCOCCNCCCCCC=O 2230a_102516460346_100000139337 [0,0,0,0,0,0|2,0,0]=2 1648 B12R0.5 CCOCCNCCCCCCF 2230a_102516460346_100015922095 [0,0,0,0,0,0|3,0,1]=4 1649 B12R0.5 CCOCCNCCCCCCF 34a_102516460346_100015922095 [0,0,0,0,0,0|3,0,1]=4 1650 B12R0.5 CCOCCNCCCCCCO 2230a_100000686447_100011215890 [0,0,0,0,0,0|2,0,2]=4 1651 B12R0.5 CCOCCNCCCCCCO 2230a_102516460346_100000766143 [0,0,0,0,0,0|2,0,2]=4 1652 B12R0.5 CCOCCNCCCCCCO 34a_100000686447_100000210147 [0,0,0,0,0,0|2,0,2]=4 1653 B12R0.5 CCOCCNCCCCCCO 34a_102516460346_100000766143 [0,0,0,0,0,0|2,0,2]=4 1654 B12R0.5 CCOCCNCCCCCOC 2230a_100000747528_100011215890 [0,0,0,0,0,0|4,0,0]=4 1655 B12R0.5 CCOCCNCCCCCOC 34a_100000747528_100000210147 [0,0,0,0,0,0|4,0,0]=4 1656 B12R0.5 CCOCCOCCCCCC#N 7a_100000210136_100009813376 [0,0,0,0,0,0|3,0,1]=4 1657 B12R0.5 CCOCCOCCCCCC=O 7a_100000210136_100000139337 [0,0,0,0,0,0|2,0,0]=2 1658 B12R0.5 CCOCCOCCCCCCBr 34a_100011215345_100000210147 [0,0,0,0,0,0|3,0,1]=4 1659 B12R0.5 CCOCCOCCCCCCBr 7a_100011215345_100011215890 [0,0,0,0,0,0|3,0,1]=4 1660 B12R0.5 CCOCCOCCCCCCCl 34a_100000766143_100000210147 [0,0,0,0,0,0|3,0,1]=4 1661 B12R0.5 CCOCCOCCCCCCCl 7a_100000766143_100011215890 [0,0,0,0,0,0|3,0,1]=4 1662 B12R0.5 CCOCCOCCCCCCF 34a_100000210136_100015922095 [0,0,0,0,0,0|3,0,1]=4 1663 B12R0.5 CCOCCOCCCCCCF 34a_100000732779_100000210147 [0,0,0,0,0,0|3,0,1]=4 1664 B12R0.5 CCOCCOCCCCCCF 7a_100000210136_100015922095 [0,0,0,0,0,0|3,0,1]=4 1665 B12R0.5 CCOCCOCCCCCCF 7a_100000732779_100011215890 [0,0,0,0,0,0|3,0,1]=4 1666 B12R0.5 CCOCCOCCCCCCN 34a_100000686447_100000210147 [0,0,0,0,0,0|3,0,1]=4 1667 B12R0.5 CCOCCOCCCCCCO 34a_100000210136_100000766143 [0,0,0,0,0,0|2,0,2]=4 1668 B12R0.5 CCOCCOCCCCCCO 7a_100000210136_100000766143 [0,0,0,0,0,0|2,0,2]=4 1669 B12R0.5 CCOCCOCCCCCNC 34a_100000722520_100000210147 [0,0,0,0,0,0|4,0,0]=4 1670 B12R0.5 CCOCCSCCCCCC#N 62a_100000210147_100009813376 [0,0,0,0,0,0|3,0,1]=4 1671 B12R0.5 CCOCCSCCCCCC#N 62a_100009813376_100011215890 [0,0,0,0,0,0|3,0,1]=4 1672 B12R0.5 CCOCCSCCCCCC=O 62a_100000139337_100011215890 [0,0,0,0,0,0|2,0,0]=2 1673 B12R0.5 CCOCCSCCCCCC=O 62a_100000210147_100000139337 [0,0,0,0,0,0|2,0,0]=2 1674 B12R0.5 CCOCCSCCCCCCF 62a_100000210147_100015922095 [0,0,0,0,0,0|3,0,1]=4 1675 B12R0.5 CCOCCSCCCCCCF 62a_100015922095_100011215890 [0,0,0,0,0,0|3,0,1]=4 1676 B12R0.5 CCOCCSCCCCCCO 62a_100000210147_100000766143 [0,0,0,0,0,0|2,0,2]=4 1677 B12R0.5 CCOCCSCCCCCCO 62a_100000766143_100011215890 [0,0,0,0,0,0|2,0,2]=4 1678 B12R0.5 CCOCSCCCCCCC#N 62a_100000739092_100009813337 [0,0,0,0,0,0|3,0,1]=4 1679 B12R0.5 CCOCSCCCCCCC#N 62a_100009813337_100000739092 [0,0,0,0,0,0|3,0,1]=4 1680 B12R0.5 CCOCSCCCCCCCO 62a_100000739092_100000760002 [0,0,0,0,0,0|2,0,2]=4 1681 B12R0.5 CCOCSCCCCCCCO 62a_100000760002_100000739092 [0,0,0,0,0,0|2,0,2]=4 1682 B12R0.5 CCOCSCCCCCCOC 62a_100000739092_100011998445 [0,0,0,0,0,0|4,0,0]=4 1683 B12R0.5 CCOCSCCCCCCOC 62a_100011998445_100000739092 [0,0,0,0,0,0|4,0,0]=4 1684 B12R0.5 CCSCCCCCCCCCO 62a_100000210202_100009813782 [0,0,0,0,0,0|1,0,2]=3 1685 B12R0.5 CCSCCCCCCCCCO 62a_100009813782_100000210202 [0,0,0,0,0,0|1,0,2]=3 1686 B12R0.5 CCSCCCOCCCCC#N 7a_100011216438_100000211819 [0,0,0,0,0,0|3,0,1]=4 1687 B12R0.5 CCSCCCOCCCCC=O 7a_100011216438_100000139335 [0,0,0,0,0,0|2,0,0]=2 1688 B12R0.5 CCSCCCOCCCCCF 34a_100011216438_100000729378 [0,0,0,0,0,0|3,0,1]=4 1689 B12R0.5 CCSCCCOCCCCCF 7a_100011216438_100000729378 [0,0,0,0,0,0|3,0,1]=4 1690 B12R0.5 CCSCCCOCCCCCO 34a_100011216438_100000746330 [0,0,0,0,0,0|2,0,2]=4 1691 B12R0.5 CCSCCCOCCCCCO 7a_100011216438_100000746330 [0,0,0,0,0,0|2,0,2]=4 1692 B12R0.5 CCSCCCOCCCCOC 34a_100011216438_100000755781 [0,0,0,0,0,0|4,0,0]=4 1693 B12R0.5 CCSCCCOCCCCOC 7a_100011216438_100000730899 [0,0,0,0,0,0|4,0,0]=4 1694 B12R0.5 CCSCCNCCCCCC#N 2230a_100000106463_100009813376 [0,0,0,0,0,0|3,0,1]=4 1695 B12R0.5 CCSCCNCCCCCC=O 2230a_100000106463_100000139337 [0,0,0,0,0,0|2,0,0]=2 1696 B12R0.5 CCSCCNCCCCCCF 2230a_100000106463_100015922095 [0,0,0,0,0,0|3,0,1]=4 1697 B12R0.5 CCSCCNCCCCCCO 2230a_100000106463_100000766143 [0,0,0,0,0,0|2,0,2]=4 1698 B12R0.5 CCSCCNCCCCCCO 2230a_100000686447_100000757381 [0,0,0,0,0,0|2,0,2]=4 1699 B12R0.5 CCSCCNCCCCCCO 34a_100000686447_100000757381 [0,0,0,0,0,0|2,0,2]=4 1700 B12R0.5 CCSCCNCCCCCOC 2230a_100000747528_100000757381 [0,0,0,0,0,0|4,0,0]=4 1701 B12R0.5 CCSCCNCCCCCOC 34a_100000747528_100000757381 [0,0,0,0,0,0|4,0,0]=4 1702 B12R0.5 CCSCCOCCCCCC#N 7a_100000212035_100009813376 [0,0,0,0,0,0|3,0,1]=4 1703 B12R0.5 CCSCCOCCCCCC=O 7a_100000212035_100000139337 [0,0,0,0,0,0|2,0,0]=2 1704 B12R0.5 CCSCCOCCCCCCBr 34a_100011215345_100000757381 [0,0,0,0,0,0|3,0,1]=4 1705 B12R0.5 CCSCCOCCCCCCBr 7a_100011215345_100000757381 [0,0,0,0,0,0|3,0,1]=4 1706 B12R0.5 CCSCCOCCCCCCCl 34a_100000766143_100000757381 [0,0,0,0,0,0|3,0,1]=4 1707 B12R0.5 CCSCCOCCCCCCCl 7a_100000766143_100000757381 [0,0,0,0,0,0|3,0,1]=4 1708 B12R0.5 CCSCCOCCCCCCF 34a_100000212035_100015922095 [0,0,0,0,0,0|3,0,1]=4 1709 B12R0.5 CCSCCOCCCCCCF 34a_100000732779_100000757381 [0,0,0,0,0,0|3,0,1]=4 1710 B12R0.5 CCSCCOCCCCCCF 7a_100000212035_100015922095 [0,0,0,0,0,0|3,0,1]=4 1711 B12R0.5 CCSCCOCCCCCCF 7a_100000732779_100000757381 [0,0,0,0,0,0|3,0,1]=4 1712 B12R0.5 CCSCCOCCCCCCN 34a_100000686447_100000757381 [0,0,0,0,0,0|3,0,1]=4 1713 B12R0.5 CCSCCOCCCCCCO 34a_100000212035_100000766143 [0,0,0,0,0,0|2,0,2]=4 1714 B12R0.5 CCSCCOCCCCCCO 7a_100000212035_100000766143 [0,0,0,0,0,0|2,0,2]=4 1715 B12R0.5 CCSCCOCCCCCNC 34a_100000722520_100000757381 [0,0,0,0,0,0|4,0,0]=4 1716 B12R0.5 CCSCCSCCCCCC#N 62a_100000757381_100009813376 [0,0,0,0,0,0|3,0,1]=4 1717 B12R0.5 CCSCCSCCCCCC#N 62a_100009813376_100000757381 [0,0,0,0,0,0|3,0,1]=4 1718 B12R0.5 CCSCCSCCCCCC=O 62a_100000139337_100000757381 [0,0,0,0,0,0|2,0,0]=2 1719 B12R0.5 CCSCCSCCCCCC=O 62a_100000757381_100000139337 [0,0,0,0,0,0|2,0,0]=2 1720 B12R0.5 CCSCCSCCCCCCF 62a_100000757381_100015922095 [0,0,0,0,0,0|3,0,1]=4 1721 B12R0.5 CCSCCSCCCCCCF 62a_100015922095_100000757381 [0,0,0,0,0,0|3,0,1]=4 1722 B12R0.5 CCSCCSCCCCCCO 62a_100000757381_100000766143 [0,0,0,0,0,0|2,0,2]=4 1723 B12R0.5 CCSCCSCCCCCCO 62a_100000766143_100000757381 [0,0,0,0,0,0|2,0,2]=4 1724 B12R0.5 CNCCCCCCCCCCO 2230a_100000066964_200000210301 [0,0,0,0,0,0|1,0,2]=3 1725 B12R0.5 CNCCCCCCCCCCO 2230a_106832991635_100009813290 [0,0,0,0,0,0|1,0,2]=3 1726 B12R0.5 CNCCCCCCCCCCO 34a_100000066964_200000210301 [0,0,0,0,0,0|1,0,2]=3 1727 B12R0.5 CNCCCCCCCCCCO 34a_100102657272_100009813290 [0,0,0,0,0,0|1,0,2]=3 1728 B12R0.5 CNCCCCCCCCCCO 7a_106832991635_100009813290 [0,0,0,0,0,0|1,0,2]=3 1729 B12R0.5 CNCCCCCOCCCCF 34a_100000722520_100000729493 [0,0,0,0,0,0|3,0,1]=4 1730 B12R0.5 CNCCCCCOCCCCO 34a_100000722520_100011216708 [0,0,0,0,0,0|2,0,2]=4 1731 B12R0.5 CNCCCCCOCCCOC 34a_100000722520_100000740836 [0,0,0,0,0,0|4,0,0]=4 1732 B12R0.5 CNCCCOCCCCCCF 34a_100000213112_100015922095 [0,0,0,0,0,0|3,0,1]=4 1733 B12R0.5 CNCCCOCCCCCCO 34a_100000213112_100000766143 [0,0,0,0,0,0|2,0,2]=4 1734 B12R0.5 COCCCCCCCCCCBr 34a_100009813290_200000210301 [0,0,0,0,0,0|2,0,1]=3 1735 B12R0.5 COCCCCCCCCCCBr 7a_100009813290_200000210301 [0,0,0,0,0,0|2,0,1]=3 1736 B12R0.5 COCCCCCCCCCCCl 34a_200000033068_200000210301 [0,0,0,0,0,0|2,0,1]=3 1737 B12R0.5 COCCCCCCCCCCCl 7a_200000033068_200000210301 [0,0,0,0,0,0|2,0,1]=3 1738 B12R0.5 COCCCCCCCCCCN 34a_100000066964_200000210301 [0,0,0,0,0,0|2,0,1]=3 1739 B12R0.5 COCCCCCCCCCCO 34a_100138415774_100009813290 [0,0,0,0,0,0|1,0,2]=3 1740 B12R0.5 COCCCCCCNCCCF 2230a_100015189416_100011998445 [0,0,0,0,0,0|3,0,1]=4 1741 B12R0.5 COCCCCCCNCCCF 34a_100015189416_100011998445 [0,0,0,0,0,0|3,0,1]=4 1742 B12R0.5 COCCCCCCNCCOC 2230a_100000209980_100011998445 [0,0,0,0,0,0|4,0,0]=4 1743 B12R0.5 COCCCCCCNCCSC 2230a_100020590264_100011998445 [0,0,0,0,0,0|4,0,0]=4 1744 B12R0.5 COCCCCCCOCCC#N 7a_200012092642_100000184422 [0,0,0,0,0,0|3,0,1]=4 1745 B12R0.5 COCCCCCCOCCCBr 34a_100011217188_100011998445 [0,0,0,0,0,0|3,0,1]=4 1746 B12R0.5 COCCCCCCOCCCCl 34a_100000230001_100011998445 [0,0,0,0,0,0|3,0,1]=4 1747 B12R0.5 COCCCCCCOCCCF 34a_100000759539_100011998445 [0,0,0,0,0,0|3,0,1]=4 1748 B12R0.5 COCCCCCCOCCCF 34a_200012092642_100011934791 [0,0,0,0,0,0|3,0,1]=4 1749 B12R0.5 COCCCCCCOCCCF 7a_200012092642_100011934791 [0,0,0,0,0,0|3,0,1]=4 1750 B12R0.5 COCCCCCCOCCCN 34a_100000182051_100011998445 [0,0,0,0,0,0|3,0,1]=4 1751 B12R0.5 COCCCCCCOCCCO 34a_200012092642_100000230001 [0,0,0,0,0,0|2,0,2]=4 1752 B12R0.5 COCCCCCCOCCCO 7a_200012092642_100011215043 [0,0,0,0,0,0|2,0,2]=4 1753 B12R0.5 COCCCCCCOCCOC 34a_100000210237_100011998445 [0,0,0,0,0,0|4,0,0]=4 1754 B12R0.5 COCCCCCCOCCOC 34a_200012092642_100011201679 [0,0,0,0,0,0|4,0,0]=4 1755 B12R0.5 COCCCCCCOCCOC 7a_200012092642_100000233755 [0,0,0,0,0,0|4,0,0]=4 1756 B12R0.5 COCCCCCCOCCON 34a_100000700252_100011998445 [0,0,0,0,0,0|4,0,0]=4 1757 B12R0.5 COCCCCCCOCCSC 34a_100000230434_100011998445 [0,0,0,0,0,0|4,0,0]=4 1758 B12R0.5 COCCCCCCOCCSC 34a_200012092642_100000212216 [0,0,0,0,0,0|4,0,0]=4 1759 B12R0.5 COCCCCCCOCCSC 7a_100000230434_100011998445 [0,0,0,0,0,0|4,0,0]=4 1760 B12R0.5 COCCCCCCOCCSC 7a_200012092642_100000212216 [0,0,0,0,0,0|4,0,0]=4 1761 B12R0.5 COCCCCCCSCCC#N 62a_100011215226_100011998445 [0,0,0,0,0,0|3,0,1]=4 1762 B12R0.5 COCCCCCCSCCC#N 62a_100011998445_100011215226 [0,0,0,0,0,0|3,0,1]=4 1763 B12R0.5 COCCCCCCSCCCF 62a_100011934791_100011998445 [0,0,0,0,0,0|3,0,1]=4 1764 B12R0.5 COCCCCCCSCCCF 62a_100011998445_100011934791 [0,0,0,0,0,0|3,0,1]=4 1765 B12R0.5 COCCCCCCSCCCO 62a_100011215043_100011998445 [0,0,0,0,0,0|2,0,2]=4 1766 B12R0.5 COCCCCCCSCCCO 62a_100011998445_100011215043 [0,0,0,0,0,0|2,0,2]=4 1767 B12R0.5 COCCCCCCSCCOC 62a_100000233755_100011998445 [0,0,0,0,0,0|4,0,0]=4 1768 B12R0.5 COCCCCCCSCCOC 62a_100011998445_100000233755 [0,0,0,0,0,0|4,0,0]=4 1769 B12R0.5 COCCCCCCSCCSC 62a_100000212216_100011998445 [0,0,0,0,0,0|4,0,0]=4 1770 B12R0.5 COCCCCCCSCCSC 62a_100011998445_100000751147 [0,0,0,0,0,0|4,0,0]=4 1771 B12R0.5 COCCCCCNCCCC#N 2230a_100000747528_100000687738 [0,0,0,0,0,0|3,0,1]=4 1772 B12R0.5 COCCCCCNCCCC=O 2230a_100000747528_200011292268 [0,0,0,0,0,0|2,0,0]=2 1773 B12R0.5 COCCCCCNCCCCF 2230a_100000747528_100000729493 [0,0,0,0,0,0|3,0,1]=4 1774 B12R0.5 COCCCCCNCCCCF 34a_100000747528_100000729493 [0,0,0,0,0,0|3,0,1]=4 1775 B12R0.5 COCCCCCNCCCCO 2230a_100000747528_100000210776 [0,0,0,0,0,0|2,0,2]=4 1776 B12R0.5 COCCCCCNCCCCO 34a_100000747528_100011216708 [0,0,0,0,0,0|2,0,2]=4 1777 B12R0.5 COCCCCCNCCCOC 2230a_100000747528_100000740836 [0,0,0,0,0,0|4,0,0]=4 1778 B12R0.5 COCCCCCNCCCOC 34a_100000747528_100000740836 [0,0,0,0,0,0|4,0,0]=4 1779 B12R0.5 COCCCCNCCCCCO 2230a_100000762737_100000730899 [0,0,0,0,0,0|2,0,2]=4 1780 B12R0.5 COCCCCNCCCCCO 34a_100000762737_100000755781 [0,0,0,0,0,0|2,0,2]=4 1781 B12R0.5 COCCCCOCCCCCBr 34a_100000746331_100000755781 [0,0,0,0,0,0|3,0,1]=4 1782 B12R0.5 COCCCCOCCCCCBr 7a_100000746331_100000730899 [0,0,0,0,0,0|3,0,1]=4 1783 B12R0.5 COCCCCOCCCCCCl 34a_100000746330_100000755781 [0,0,0,0,0,0|3,0,1]=4 1784 B12R0.5 COCCCCOCCCCCCl 7a_100000746330_100000730899 [0,0,0,0,0,0|3,0,1]=4 1785 B12R0.5 COCCCCOCCCCCF 34a_100000740925_100000729378 [0,0,0,0,0,0|3,0,1]=4 1786 B12R0.5 COCCCCOCCCCCI 34a_200012148887_100000755781 [0,0,0,0,0,0|3,0,1]=4 1787 B12R0.5 COCCCCOCCCCCI 7a_200012148887_100000730899 [0,0,0,0,0,0|3,0,1]=4 1788 B12R0.5 COCCCCOCCCCCN 34a_100000762737_100000755781 [0,0,0,0,0,0|3,0,1]=4 1789 B12R0.5 COCCCCOCCCCCO 34a_100000740925_100000746330 [0,0,0,0,0,0|2,0,2]=4 1790 B12R0.5 COCCCCOCCCCOC 34a_100000740925_100000755781 [0,0,0,0,0,0|4,0,0]=4 1791 B12R0.5 COCCCCOCCCCSC 34a_100011217163_100000755781 [0,0,0,0,0,0|4,0,0]=4 1792 B12R0.5 COCCCCOCCCCSC 7a_100011217163_100000730899 [0,0,0,0,0,0|4,0,0]=4 1793 B12R0.5 COCCCCSCCCCC#N 62a_100000730899_100000211819 [0,0,0,0,0,0|3,0,1]=4 1794 B12R0.5 COCCCCSCCCCC#N 62a_100011219923_100000730899 [0,0,0,0,0,0|3,0,1]=4 1795 B12R0.5 COCCCCSCCCCC=O 62a_100000139335_100000730899 [0,0,0,0,0,0|2,0,0]=2 1796 B12R0.5 COCCCCSCCCCC=O 62a_100000730899_100000139335 [0,0,0,0,0,0|2,0,0]=2 1797 B12R0.5 COCCCCSCCCCCF 62a_100000729378_100000730899 [0,0,0,0,0,0|3,0,1]=4 1798 B12R0.5 COCCCCSCCCCCF 62a_100000730899_100000729378 [0,0,0,0,0,0|3,0,1]=4 1799 B12R0.5 COCCCCSCCCCCO 62a_100000730899_100000746330 [0,0,0,0,0,0|2,0,2]=4 1800 B12R0.5 COCCCCSCCCCCO 62a_100000746330_100000730899 [0,0,0,0,0,0|2,0,2]=4 1801 B12R0.5 COCCCCSCCCCOC 62a_100000730899_100000730899 [0,0,0,0,0,0|4,0,0]=4 1802 B12R0.5 COCCCNCCCCCCF 34a_100150723488_100015922095 [0,0,0,0,0,0|3,0,1]=4 1803 B12R0.5 COCCCNCCCCCCO 2230a_100000686447_100000740836 [0,0,0,0,0,0|2,0,2]=4 1804 B12R0.5 COCCCNCCCCCCO 34a_100000686447_100000740836 [0,0,0,0,0,0|2,0,2]=4 1805 B12R0.5 COCCCNCCCCCCO 34a_100150723488_100000766143 [0,0,0,0,0,0|2,0,2]=4 1806 B12R0.5 COCCCOCCCCCCBr 34a_100011215345_100000740836 [0,0,0,0,0,0|3,0,1]=4 1807 B12R0.5 COCCCOCCCCCCBr 7a_100011215345_100000740836 [0,0,0,0,0,0|3,0,1]=4 1808 B12R0.5 COCCCOCCCCCCCl 34a_100000766143_100000740836 [0,0,0,0,0,0|3,0,1]=4 1809 B12R0.5 COCCCOCCCCCCCl 7a_100000766143_100000740836 [0,0,0,0,0,0|3,0,1]=4 1810 B12R0.5 COCCCOCCCCCCF 34a_100000732779_100000740836 [0,0,0,0,0,0|3,0,1]=4 1811 B12R0.5 COCCCOCCCCCCF 34a_100000740835_100015922095 [0,0,0,0,0,0|3,0,1]=4 1812 B12R0.5 COCCCOCCCCCCF 7a_100000732779_100000740836 [0,0,0,0,0,0|3,0,1]=4 1813 B12R0.5 COCCCOCCCCCCN 34a_100000686447_100000740836 [0,0,0,0,0,0|3,0,1]=4 1814 B12R0.5 COCCCOCCCCCCO 34a_100000740835_100000766143 [0,0,0,0,0,0|2,0,2]=4 1815 B12R0.5 COCCCOCCCOCC=O 34a_200011215475_200009817547 [0,0,0,0,0,0|3,0,0]=3 1816 B12R0.5 COCCCOCCCOCC=O 7a_200011215475_200015260668 [0,0,0,0,0,0|3,0,0]=3 1817 B12R0.5 COCCCSCCCCCC#N 62a_100000709357_100009813376 [0,0,0,0,0,0|3,0,1]=4 1818 B12R0.5 COCCCSCCCCCC#N 62a_100009813376_100000709357 [0,0,0,0,0,0|3,0,1]=4 1819 B12R0.5 COCCCSCCCCCC=O 62a_100000139337_100000709357 [0,0,0,0,0,0|2,0,0]=2 1820 B12R0.5 COCCCSCCCCCC=O 62a_100000709357_100000139337 [0,0,0,0,0,0|2,0,0]=2 1821 B12R0.5 COCCCSCCCCCCF 62a_100000709357_100015922095 [0,0,0,0,0,0|3,0,1]=4 1822 B12R0.5 COCCCSCCCCCCF 62a_100015922095_100000709357 [0,0,0,0,0,0|3,0,1]=4 1823 B12R0.5 COCCCSCCCCCCO 62a_100000709357_100000766143 [0,0,0,0,0,0|2,0,2]=4 1824 B12R0.5 COCCCSCCCCCCO 62a_100000766143_100000709357 [0,0,0,0,0,0|2,0,2]=4 1825 B12R0.5 COCCNCCCCCCC#N 2230a_100000209980_100009813337 [0,0,0,0,0,0|3,0,1]=4 1826 B12R0.5 COCCNCCCCCCCO 2230a_100000209980_100000760002 [0,0,0,0,0,0|2,0,2]=4 1827 B12R0.5 COCCNCCCCCCCO 2230a_100011996573_100011201679 [0,0,0,0,0,0|2,0,2]=4 1828 B12R0.5 COCCNCCCCCCCO 34a_100011996573_100011201679 [0,0,0,0,0,0|2,0,2]=4 1829 B12R0.5 COCCOCCCCCCCBr 34a_100000760002_100011201679 [0,0,0,0,0,0|3,0,1]=4 1830 B12R0.5 COCCOCCCCCCCBr 7a_100000760002_100000233755 [0,0,0,0,0,0|3,0,1]=4 1831 B12R0.5 COCCOCCCCCCCN 34a_100011996573_100011201679 [0,0,0,0,0,0|3,0,1]=4 1832 B12R0.5 COCCOCCCCCCCO 34a_100000210237_100000760002 [0,0,0,0,0,0|2,0,2]=4 1833 B12R0.5 COCCOCCNCCCC=O 2230a_100000745349_200011292268 [0,0,0,0,0,0|3,0,0]=3 1834 B12R0.5 COCCOCCOCCCC=O 7a_100011215163_200011292268 [0,0,0,0,0,0|3,0,0]=3 1835 B12R0.5 COCCOCCSCCCC=O 62a_100000695917_200011292268 [0,0,0,0,0,0|3,0,0]=3 1836 B12R0.5 COCCOCCSCCCC=O 62a_200011292268_100000695917 [0,0,0,0,0,0|3,0,0]=3 1837 B12R0.5 COCCOCSCCCCC=O 62a_100000139335_100000231047 [0,0,0,0,0,0|3,0,0]=3 1838 B12R0.5 COCCOCSCCCCC=O 62a_100000231047_100000139335 [0,0,0,0,0,0|3,0,0]=3 1839 B12R0.5 COCCSCCCCCCC#N 62a_100000233755_100009813337 [0,0,0,0,0,0|3,0,1]=4 1840 B12R0.5 COCCSCCCCCCC#N 62a_100009813337_100000233755 [0,0,0,0,0,0|3,0,1]=4 1841 B12R0.5 COCCSCCCCCCCO 62a_100000233755_100000760002 [0,0,0,0,0,0|2,0,2]=4 1842 B12R0.5 COCCSCCCCCCCO 62a_100000760002_100000233755 [0,0,0,0,0,0|2,0,2]=4 1843 B12R0.5 COCNCCCCCCCCO 2230a_102515433106_100000766300 [0,0,0,0,0,0|2,0,2]=4 1844 B12R0.5 COCSCCCCCCCCO 62a_100000033203_100000766300 [0,0,0,0,0,0|2,0,2]=4 1845 B12R0.5 COCSCCCCCCCCO 62a_100000766300_100000033203 [0,0,0,0,0,0|2,0,2]=4 1846 B12R0.5 CSCCCCCCCCCCO 62a_100009813290_200000210301 [0,0,0,0,0,0|1,0,2]=3 1847 B12R0.5 CSCCCCCCCCCCO 62a_200000210301_200000033068 [0,0,0,0,0,0|1,0,2]=3 1848 B12R0.5 CSCCCCOCCCCC#N 7a_100011217163_100000211819 [0,0,0,0,0,0|3,0,1]=4 1849 B12R0.5 CSCCCCOCCCCC=O 7a_100011217163_100000139335 [0,0,0,0,0,0|2,0,0]=2 1850 B12R0.5 CSCCCCOCCCCCF 34a_100011217163_100000729378 [0,0,0,0,0,0|3,0,1]=4 1851 B12R0.5 CSCCCCOCCCCCF 7a_100011217163_100000729378 [0,0,0,0,0,0|3,0,1]=4 1852 B12R0.5 CSCCCCOCCCCCO 34a_100011217163_100000746330 [0,0,0,0,0,0|2,0,2]=4 1853 B12R0.5 CSCCCCOCCCCCO 7a_100011217163_100000746330 [0,0,0,0,0,0|2,0,2]=4 1854 B12R0.5 CSCCCNCCCCCC#N 2230a_100000749238_100009813376 [0,0,0,0,0,0|3,0,1]=4 1855 B12R0.5 CSCCCNCCCCCC=O 2230a_100000749238_100000139337 [0,0,0,0,0,0|2,0,0]=2 1856 B12R0.5 CSCCCNCCCCCCF 2230a_100000749238_100015922095 [0,0,0,0,0,0|3,0,1]=4 1857 B12R0.5 CSCCCNCCCCCCO 2230a_100000749238_100000766143 [0,0,0,0,0,0|2,0,2]=4 1858 B12R0.5 CSCCCOCCCCCC#N 7a_100000690336_100009813376 [0,0,0,0,0,0|3,0,1]=4 1859 B12R0.5 CSCCCOCCCCCC=O 7a_100000690336_100000139337 [0,0,0,0,0,0|2,0,0]=2 1860 B12R0.5 CSCCCOCCCCCCF 34a_100000690336_100015922095 [0,0,0,0,0,0|3,0,1]=4 1861 B12R0.5 CSCCCOCCCCCCF 7a_100000690336_100015922095 [0,0,0,0,0,0|3,0,1]=4 1862 B12R0.5 CSCCCOCCCCCCO 34a_100000690336_100000766143 [0,0,0,0,0,0|2,0,2]=4 1863 B12R0.5 CSCCCOCCCCCCO 7a_100000690336_100000766143 [0,0,0,0,0,0|2,0,2]=4 1864 B12R0.5 CSCCNCCCCCCC#N 2230a_100020590264_100009813337 [0,0,0,0,0,0|3,0,1]=4 1865 B12R0.5 CSCCNCCCCCCCO 2230a_100011996573_100000751147 [0,0,0,0,0,0|2,0,2]=4 1866 B12R0.5 CSCCNCCCCCCCO 2230a_100020590264_100000760002 [0,0,0,0,0,0|2,0,2]=4 1867 B12R0.5 CSCCNCCCCCCCO 34a_100011996573_100000212216 [0,0,0,0,0,0|2,0,2]=4 1868 B12R0.5 CSCCOCCCCCCC#N 7a_100000230434_100009813337 [0,0,0,0,0,0|3,0,1]=4 1869 B12R0.5 CSCCOCCCCCCCBr 34a_100000760002_100000212216 [0,0,0,0,0,0|3,0,1]=4 1870 B12R0.5 CSCCOCCCCCCCBr 7a_100000760002_100000212216 [0,0,0,0,0,0|3,0,1]=4 1871 B12R0.5 CSCCOCCCCCCCN 34a_100011996573_100000212216 [0,0,0,0,0,0|3,0,1]=4 1872 B12R0.5 CSCCOCCCCCCCO 34a_100000230434_100000760002 [0,0,0,0,0,0|2,0,2]=4 1873 B12R0.5 CSCCOCCCCCCCO 7a_100000230434_100000760002 [0,0,0,0,0,0|2,0,2]=4 1874 B12R0.5 CSCCSCCCCCCC#N 62a_100000212216_100009813337 [0,0,0,0,0,0|3,0,1]=4 1875 B12R0.5 CSCCSCCCCCCC#N 62a_100009813337_100000751147 [0,0,0,0,0,0|3,0,1]=4 1876 B12R0.5 CSCCSCCCCCCCO 62a_100000212216_100000760002 [0,0,0,0,0,0|2,0,2]=4 1877 B12R0.5 CSCCSCCCCCCCO 62a_100000760002_100000751147 [0,0,0,0,0,0|2,0,2]=4 1878 B12R0.5 CSCNCCCCCCCCO 2230a_102515433106_100011218213 [0,0,0,0,0,0|2,0,2]=4 1879 B12R0.5 CSCNCCCCCCCCO 34a_102515433106_100011218213 [0,0,0,0,0,0|2,0,2]=4 1880 B12R0.5 CSCOCCCCCCCCBr 34a_100009813846_100011218213 [0,0,0,0,0,0|3,0,1]=4 1881 B12R0.5 CSCOCCCCCCCCCl 34a_100000033203_100011218213 [0,0,0,0,0,0|3,0,1]=4 1882 B12R0.5 CSCOCCCCCCCCN 34a_102515433106_100011218213 [0,0,0,0,0,0|3,0,1]=4 1883 B12R0.5 CSCSCCCCCCCCO 62a_100000033203_100011218213 [0,0,0,0,0,0|2,0,2]=4 1884 B12R0.5 CSCSCCCCCCCCO 62a_100011218213_100000033203 [0,0,0,0,0,0|2,0,2]=4 1885 B12R0.5 FCCCCCCOCCCCBr 34a_100011216708_100015922095 [0,0,0,0,0,0|3,0,1]=4 1886 B12R0.5 FCCCCCCOCCCCCl 34a_100000210776_100015922095 [0,0,0,0,0,0|3,0,1]=4 1887 B12R0.5 FCCCCCCOCCCCCl 7a_100000210776_100015922095 [0,0,0,0,0,0|3,0,1]=4 1888 B12R0.5 FCCCCCCOCCCCF 34a_100000732779_100000729493 [0,0,0,0,0,0|3,0,1]=4 1889 B12R0.5 FCCCCCCOCCCCF 34a_100011995726_100015922095 [0,0,0,0,0,0|3,0,1]=4 1890 B12R0.5 FCCCCCCOCCCCF 7a_100000732779_100000729493 [0,0,0,0,0,0|3,0,1]=4 1891 B12R0.5 FCCCCCCOCCCCF 7a_100011995726_100015922095 [0,0,0,0,0,0|3,0,1]=4 1892 B12R0.5 FCCCCCCOCCCCI 34a_200012148704_100015922095 [0,0,0,0,0,0|3,0,1]=4 1893 B12R0.5 FCCCCCCSCCCCF 62a_100000729493_100015922095 [0,0,0,0,0,0|3,0,1]=4 1894 B12R0.5 FCCCCCCSCCCCF 62a_100015922095_100000729493 [0,0,0,0,0,0|3,0,1]=4 1895 B12R0.5 FCCCCCOCCCCCBr 34a_100000746331_100000729378 [0,0,0,0,0,0|3,0,1]=4 1896 B12R0.5 FCCCCCOCCCCCBr 7a_100000746331_100000729378 [0,0,0,0,0,0|3,0,1]=4 1897 B12R0.5 FCCCCCOCCCCCCl 34a_100000746330_100000729378 [0,0,0,0,0,0|3,0,1]=4 1898 B12R0.5 FCCCCCOCCCCCCl 7a_100000746330_100000729378 [0,0,0,0,0,0|3,0,1]=4 1899 B12R0.5 FCCCCCOCCCCCI 34a_200012148887_100000729378 [0,0,0,0,0,0|3,0,1]=4 1900 B12R0.5 FCCCCCOCCCCCI 7a_200012148887_100000729378 [0,0,0,0,0,0|3,0,1]=4 1901 B12R0.5 FCCCCCSCCCCCF 62a_100000729378_100000729378 [0,0,0,0,0,0|3,0,1]=4 1902 B12R0.5 FCCCCOCCCCCCBr 34a_100011215345_100000729493 [0,0,0,0,0,0|3,0,1]=4 1903 B12R0.5 FCCCCOCCCCCCBr 7a_100011215345_100000729493 [0,0,0,0,0,0|3,0,1]=4 1904 B12R0.5 FCCCCOCCCCCCCl 34a_100000766143_100000729493 [0,0,0,0,0,0|3,0,1]=4 1905 B12R0.5 FCCCCOCCCCCCCl 7a_100000766143_100000729493 [0,0,0,0,0,0|3,0,1]=4 1906 B12R0.5 FCCCOCCCCCCCBr 34a_100000760002_100011934791 [0,0,0,0,0,0|3,0,1]=4 1907 B12R0.5 FCCCOCCCCCCCBr 7a_100000760002_100011934791 [0,0,0,0,0,0|3,0,1]=4 1908 B12R0.5 FCCOCCCCCCCCBr 34a_100009813846_100011217306 [0,0,0,0,0,0|3,0,1]=4 1909 B12R0.5 FCCOCCCCCCCCBr 7a_100009813846_100011217306 [0,0,0,0,0,0|3,0,1]=4 1910 B12R0.5 FCCOCCCCCCCCCl 34a_100000033203_100011217306 [0,0,0,0,0,0|3,0,1]=4 1911 B12R0.5 FCCOCCCCCCCCCl 7a_100000033203_100011217306 [0,0,0,0,0,0|3,0,1]=4 1912 B12R0.5 FCOCCCCCCCCCBr 34a_100009813782_100015361967 [0,0,0,0,0,0|3,0,1]=4 1913 B12R0.5 FCOCCCCCCCCCBr 7a_100009813782_100015361967 [0,0,0,0,0,0|3,0,1]=4 1914 B12R0.5 FCOCCCCCCCCCCl 34a_100009868337_100015361967 [0,0,0,0,0,0|3,0,1]=4 1915 B12R0.5 FCOCCCCCCCCCCl 7a_100009868337_100015361967 [0,0,0,0,0,0|3,0,1]=4 1916 B12R0.5 N#CCCCCCCNCCCF 2230a_100015189416_100009813337 [0,0,0,0,0,0|3,0,1]=4 1917 B12R0.5 N#CCCCCCCSCCCF 62a_100009813337_100011934791 [0,0,0,0,0,0|3,0,1]=4 1918 B12R0.5 N#CCCCCCCSCCCF 62a_100011934791_100009813337 [0,0,0,0,0,0|3,0,1]=4 1919 B12R0.5 N#CCCCCCCSCCCO 62a_100009813337_100011215043 [0,0,0,0,0,0|3,0,1]=4 1920 B12R0.5 N#CCCCCCCSCCCO 62a_100011215043_100009813337 [0,0,0,0,0,0|3,0,1]=4 1921 B12R0.5 N#CCCCCCNCCCCO 2230a_100000750430_100009813376 [0,0,0,0,0,0|3,0,1]=4 1922 B12R0.5 N#CCCCCCOCCCCCl 7a_100000210776_100009813376 [0,0,0,0,0,0|3,0,1]=4 1923 B12R0.5 N#CCCCCCOCCCCF 7a_100011995726_100009813376 [0,0,0,0,0,0|3,0,1]=4 1924 B12R0.5 N#CCCCCCSCCCC=O 62a_100009813376_200011292268 [0,0,0,0,0,0|2,0,1]=3 1925 B12R0.5 N#CCCCCCSCCCC=O 62a_200011292268_100009813376 [0,0,0,0,0,0|2,0,1]=3 1926 B12R0.5 N#CCCCCCSCCCCF 62a_100000729493_100009813376 [0,0,0,0,0,0|3,0,1]=4 1927 B12R0.5 N#CCCCCCSCCCCF 62a_100009813376_100000729493 [0,0,0,0,0,0|3,0,1]=4 1928 B12R0.5 N#CCCCCCSCCCCO 62a_100000210776_100009813376 [0,0,0,0,0,0|3,0,1]=4 1929 B12R0.5 N#CCCCCCSCCCCO 62a_100009813376_100000210776 [0,0,0,0,0,0|3,0,1]=4 1930 B12R0.5 N#CCCCCNCCCCCO 2230a_100000762737_100000211819 [0,0,0,0,0,0|3,0,1]=4 1931 B12R0.5 N#CCCCCOCCCCCBr 7a_100000746331_100000211819 [0,0,0,0,0,0|3,0,1]=4 1932 B12R0.5 N#CCCCCOCCCCCCl 7a_100000746330_100000211819 [0,0,0,0,0,0|3,0,1]=4 1933 B12R0.5 N#CCCCCOCCCCCI 7a_200012148887_100000211819 [0,0,0,0,0,0|3,0,1]=4 1934 B12R0.5 N#CCCCCSCCCCC=O 62a_100000139335_100000211819 [0,0,0,0,0,0|2,0,1]=3 1935 B12R0.5 N#CCCCCSCCCCC=O 62a_100011219923_100000139335 [0,0,0,0,0,0|2,0,1]=3 1936 B12R0.5 N#CCCCCSCCCCCF 62a_100000729378_100000211819 [0,0,0,0,0,0|3,0,1]=4 1937 B12R0.5 N#CCCCCSCCCCCF 62a_100011219923_100000729378 [0,0,0,0,0,0|3,0,1]=4 1938 B12R0.5 N#CCCCCSCCCCCO 62a_100000746330_100000211819 [0,0,0,0,0,0|3,0,1]=4 1939 B12R0.5 N#CCCCCSCCCCCO 62a_100011219923_100000746330 [0,0,0,0,0,0|3,0,1]=4 1940 B12R0.5 N#CCCCNCCCCCCO 2230a_100000686447_100000687738 [0,0,0,0,0,0|3,0,1]=4 1941 B12R0.5 N#CCCCOCCCCCCBr 7a_100011215345_100000687738 [0,0,0,0,0,0|3,0,1]=4 1942 B12R0.5 N#CCCCOCCCCCCCl 7a_100000766143_100000687738 [0,0,0,0,0,0|3,0,1]=4 1943 B12R0.5 N#CCCCOCCCCCCF 7a_100000732779_100000687738 [0,0,0,0,0,0|3,0,1]=4 1944 B12R0.5 N#CCCCSCCCCCC=O 62a_100000139337_100000687738 [0,0,0,0,0,0|2,0,1]=3 1945 B12R0.5 N#CCCCSCCCCCC=O 62a_100000687738_100000139337 [0,0,0,0,0,0|2,0,1]=3 1946 B12R0.5 N#CCCCSCCCCCCF 62a_100000687738_100015922095 [0,0,0,0,0,0|3,0,1]=4 1947 B12R0.5 N#CCCCSCCCCCCF 62a_100015922095_100000687738 [0,0,0,0,0,0|3,0,1]=4 1948 B12R0.5 N#CCCCSCCCCCCO 62a_100000687738_100000766143 [0,0,0,0,0,0|3,0,1]=4 1949 B12R0.5 N#CCCCSCCCCCCO 62a_100000766143_100000687738 [0,0,0,0,0,0|3,0,1]=4 1950 B12R0.5 N#CCCNCCCCCCCO 2230a_100011996573_100011215226 [0,0,0,0,0,0|3,0,1]=4 1951 B12R0.5 N#CCCOCCCCCCCBr 7a_100000760002_100000184422 [0,0,0,0,0,0|3,0,1]=4 1952 B12R0.5 N#CCCSCCCCCCCO 62a_100000760002_100011215226 [0,0,0,0,0,0|3,0,1]=4 1953 B12R0.5 N#CCCSCCCCCCCO 62a_100011215226_100000760002 [0,0,0,0,0,0|3,0,1]=4 1954 B12R0.5 N#CCNCCCCCCCCO 2230a_102515433106_100011215382 [0,0,0,0,0,0|3,0,1]=4 1955 B12R0.5 N#CCOCCCCCCCCBr 7a_100009813846_100011215382 [0,0,0,0,0,0|3,0,1]=4 1956 B12R0.5 N#CCOCCCCCCCCCl 7a_100000033203_100011215382 [0,0,0,0,0,0|3,0,1]=4 1957 B12R0.5 N#CCOCCSCCCCC=O 62a_100000139335_200000047693 [0,0,0,0,0,0|3,0,1]=4 1958 B12R0.5 N#CCOCCSCCCCC=O 62a_200000047693_100000139335 [0,0,0,0,0,0|3,0,1]=4 1959 B12R0.5 N#CCSCCCCCCCCO 62a_100000033203_100011215382 [0,0,0,0,0,0|3,0,1]=4 1960 B12R0.5 N#CCSCCCCCCCCO 62a_100011215382_100000033203 [0,0,0,0,0,0|3,0,1]=4 1961 B12R0.5 N#CSCCSCCCCCC=O 62a_100000034367_100000139337 [0,0,0,0,0,0|3,0,1]=4 1962 B12R0.5 N#CSCCSCCCCCC=O 62a_100000139337_100000034367 [0,0,0,0,0,0|3,0,1]=4 1963 B12R0.5 NCCCCCCCCCOCF 34a_100000078944_100015361967 [0,0,0,0,0,0|3,0,1]=4 1964 B12R0.5 NCCCCCCCCOCC=O 34a_102515433106_200009817547 [0,0,0,0,0,0|2,0,0]=2 1965 B12R0.5 NCCCCCCCCOCCF 34a_102515433106_100011217306 [0,0,0,0,0,0|3,0,1]=4 1966 B12R0.5 NCCCCCCCCOCCO 34a_102515433106_100000211926 [0,0,0,0,0,0|2,0,2]=4 1967 B12R0.5 NCCCCCCCOCCCF 34a_100011996573_100011934791 [0,0,0,0,0,0|3,0,1]=4 1968 B12R0.5 NCCCCCCCOCCCO 34a_100011996573_100000230001 [0,0,0,0,0,0|2,0,2]=4 1969 B12R0.5 NCCCCCCOCCCCF 34a_100000686447_100000729493 [0,0,0,0,0,0|3,0,1]=4 1970 B12R0.5 NCCCCCCOCCCCO 34a_100000686447_100011216708 [0,0,0,0,0,0|2,0,2]=4 1971 B12R0.5 NCCCCCOCCCCCF 34a_100000762737_100000729378 [0,0,0,0,0,0|3,0,1]=4 1972 B12R0.5 NCCCCCOCCCCCO 34a_100000762737_100000746330 [0,0,0,0,0,0|2,0,2]=4 1973 B12R0.5 NCCCCOCCCCCCF 34a_100000750430_100015922095 [0,0,0,0,0,0|3,0,1]=4 1974 B12R0.5 NCCCCOCCCCCCO 34a_100000750430_100000766143 [0,0,0,0,0,0|2,0,2]=4 1975 B12R0.5 NCCCOCCCCCCCO 34a_100000182051_100000760002 [0,0,0,0,0,0|2,0,2]=4 1976 B12R0.5 NCCNCCCCCOCC=O 34a_103619048469_200009817547 [0,0,0,0,0,0|3,0,0]=3 1977 B12R0.5 NCCOCCCCCCCCO 34a_100000210304_100000033203 [0,0,0,0,0,0|2,0,2]=4 1978 B12R0.5 NCCOCCOCCOCC=O 34a_100011998139_200009817547 [0,0,0,0,0,0|4,0,0]=4 1979 B12R0.5 NOCCOCCCCCCCO 34a_100000700252_100000760002 [0,0,0,0,0,0|4,0,0]=4 1980 B12R0.5 O=CCCCCCNCCCCO 2230a_100000750430_100000139337 [0,0,0,0,0,0|2,0,0]=2 1981 B12R0.5 O=CCCCCCOCCCCCl 7a_100000210776_100000139337 [0,0,0,0,0,0|2,0,0]=2 1982 B12R0.5 O=CCCCCCOCCCCF 7a_100011995726_100000139337 [0,0,0,0,0,0|2,0,0]=2 1983 B12R0.5 O=CCCCCCSCC#CCO 62a_100000139337_200000047223 [0,0,0,0,0,0|2,0,2]=4 1984 B12R0.5 O=CCCCCCSCC#CCO 62a_200000047223_100000139337 [0,0,0,0,0,0|2,0,2]=4 1985 B12R0.5 O=CCCCCCSCCCC=O 62a_100000139337_200011292268 [0,0,0,0,0,0|2,0,1]=3 1986 B12R0.5 O=CCCCCCSCCCC=O 62a_200011292268_100000139337 [0,0,0,0,0,0|2,0,1]=3 1987 B12R0.5 O=CCCCCCSCCCCF 62a_100000139337_100000729493 [0,0,0,0,0,0|2,0,0]=2 1988 B12R0.5 O=CCCCCCSCCCCF 62a_100000729493_100000139337 [0,0,0,0,0,0|2,0,0]=2 1989 B12R0.5 O=CCCCCCSCCCCO 62a_100000139337_100000210776 [0,0,0,0,0,0|2,0,0]=2 1990 B12R0.5 O=CCCCCCSCCCCO 62a_100000210776_100000139337 [0,0,0,0,0,0|2,0,0]=2 1991 B12R0.5 O=CCCCCNCCCCCO 2230a_100000762737_100000139335 [0,0,0,0,0,0|2,0,0]=2 1992 B12R0.5 O=CCCCCNCCOCCO 2230a_100000211614_100000139335 [0,0,0,0,0,0|3,0,0]=3 1993 B12R0.5 O=CCCCCNCCSCCO 2230a_100011219999_100000139335 [0,0,0,0,0,0|3,0,0]=3 1994 B12R0.5 O=CCCCCOCCCCCBr 7a_100000746331_100000139335 [0,0,0,0,0,0|2,0,0]=2 1995 B12R0.5 O=CCCCCOCCCCCCl 7a_100000746330_100000139335 [0,0,0,0,0,0|2,0,0]=2 1996 B12R0.5 O=CCCCCOCCCCCI 7a_200012148887_100000139335 [0,0,0,0,0,0|2,0,0]=2 1997 B12R0.5 O=CCCCCOCCOCCBr 7a_100000692535_100000139335 [0,0,0,0,0,0|3,0,0]=3 1998 B12R0.5 O=CCCCCOCCOCCCl 7a_100011215305_100000139335 [0,0,0,0,0,0|3,0,0]=3 1999 B12R0.5 O=CCCCCOCCOCCF 7a_200015357709_100000139335 [0,0,0,0,0,0|3,0,0]=3 2000 B12R0.5 O=CCCCCOCCOCCI 7a_100012149058_100000139335 [0,0,0,0,0,0|3,0,0]=3 2001 B12R0.5 O=CCCCCSCCCCC=O 62a_100000139335_100000139335 [0,0,0,0,0,0|2,0,1]=3 2002 B12R0.5 O=CCCCCSCCCCCF 62a_100000139335_100000729378 [0,0,0,0,0,0|2,0,0]=2 2003 B12R0.5 O=CCCCCSCCCCCF 62a_100000729378_100000139335 [0,0,0,0,0,0|2,0,0]=2 2004 B12R0.5 O=CCCCCSCCCCCO 62a_100000139335_100000746330 [0,0,0,0,0,0|2,0,0]=2 2005 B12R0.5 O=CCCCCSCCCCCO 62a_100000746330_100000139335 [0,0,0,0,0,0|2,0,0]=2 2006 B12R0.5 O=CCCCCSCCOCCO 62a_100000139335_100011215305 [0,0,0,0,0,0|3,0,0]=3 2007 B12R0.5 O=CCCCCSCCOCCO 62a_100011215305_100000139335 [0,0,0,0,0,0|3,0,0]=3 2008 B12R0.5 O=CCCCNCCCCCCO 2230a_100000686447_200011292268 [0,0,0,0,0,0|2,0,0]=2 2009 B12R0.5 O=CCCCOCCCCCCBr 7a_100011215345_200011292268 [0,0,0,0,0,0|2,0,0]=2 2010 B12R0.5 O=CCCCOCCCCCCCl 7a_100000766143_200011292268 [0,0,0,0,0,0|2,0,0]=2 2011 B12R0.5 O=CCCCOCCCCCCF 7a_100000732779_200011292268 [0,0,0,0,0,0|2,0,0]=2 2012 B12R0.5 O=CCCCSCCCCCCF 62a_100015922095_200011292268 [0,0,0,0,0,0|2,0,0]=2 2013 B12R0.5 O=CCCCSCCCCCCF 62a_200011292268_100015922095 [0,0,0,0,0,0|2,0,0]=2 2014 B12R0.5 O=CCCCSCCCCCCO 62a_100000766143_200011292268 [0,0,0,0,0,0|2,0,0]=2 2015 B12R0.5 O=CCCCSCCCCCCO 62a_200011292268_100000766143 [0,0,0,0,0,0|2,0,0]=2 2016 B12R0.5 O=CCNCCCCCCCCO 2230a_102515433106_200015260668 [0,0,0,0,0,0|2,0,0]=2 2017 B12R0.5 O=CCNCCCCCCCCO 34a_102515433106_200009817547 [0,0,0,0,0,0|2,0,0]=2 2018 B12R0.5 O=CCNCCOCCOCCO 2230a_100011998139_200015260668 [0,0,0,0,0,0|4,0,0]=4 2019 B12R0.5 O=CCNCCOCCOCCO 34a_100011998139_200009817547 [0,0,0,0,0,0|4,0,0]=4 2020 B12R0.5 O=CCOCCCCCCCCBr 34a_100009813846_200009817547 [0,0,0,0,0,0|2,0,0]=2 2021 B12R0.5 O=CCOCCCCCCCCBr 7a_100009813846_200015260668 [0,0,0,0,0,0|2,0,0]=2 2022 B12R0.5 O=CCOCCCCCCCCCl 34a_100000033203_200009817547 [0,0,0,0,0,0|2,0,0]=2 2023 B12R0.5 O=CCOCCCCCCCCCl 7a_100000033203_200015260668 [0,0,0,0,0,0|2,0,0]=2 2024 B12R0.5 O=CCOCCOCCOCCBr 34a_100010132937_200009817547 [0,0,0,0,0,0|4,0,0]=4 2025 B12R0.5 O=CCOCCOCCOCCBr 7a_100010132937_200015260668 [0,0,0,0,0,0|4,0,0]=4 2026 B12R0.5 O=CCOCCOCCOCCCl 34a_100000032323_200009817547 [0,0,0,0,0,0|4,0,0]=4 2027 B12R0.5 O=CCOCCOCCOCCCl 7a_100000032323_200015260668 [0,0,0,0,0,0|4,0,0]=4 2028 B12R0.5 O=CCSCCCCCCCCO 62a_100000033203_200015260668 [0,0,0,0,0,0|2,0,0]=2 2029 B12R0.5 O=CCSCCCCCCCCO 62a_200015260668_100000033203 [0,0,0,0,0,0|2,0,0]=2 2030 B12R0.5 O=CCSCCOCCOCCO 62a_100000032323_200015260668 [0,0,0,0,0,0|4,0,0]=4 2031 B12R0.5 O=CCSCCOCCOCCO 62a_200015260668_100000032323 [0,0,0,0,0,0|4,0,0]=4 2032 B12R0.5 OCCCCCCCCCNCF 34a_100000078944_100015361967 [0,0,0,0,0,0|2,0,2]=4 2033 B12R0.5 OCCCCCCCCCSCF 62a_100009813782_100015361967 [0,0,0,0,0,0|2,0,2]=4 2034 B12R0.5 OCCCCCCCCCSCF 62a_100015361967_100009813782 [0,0,0,0,0,0|2,0,2]=4 2035 B12R0.5 OCCCCCCCCNCCF 2230a_102515433106_100011217306 [0,0,0,0,0,0|2,0,2]=4 2036 B12R0.5 OCCCCCCCCNCCF 34a_100000724931_100000033203 [0,0,0,0,0,0|2,0,2]=4 2037 B12R0.5 OCCCCCCCCNCCF 34a_102515433106_100011217306 [0,0,0,0,0,0|2,0,2]=4 2038 B12R0.5 OCCCCCCCCNCCO 2230a_100016997473_100000033203 [0,0,0,0,0,0|2,0,2]=4 2039 B12R0.5 OCCCCCCCCNCCO 2230a_102515433106_100000211926 [0,0,0,0,0,0|2,0,2]=4 2040 B12R0.5 OCCCCCCCCNCCO 34a_100016990907_100000033203 [0,0,0,0,0,0|2,0,2]=4 2041 B12R0.5 OCCCCCCCCNCCO 34a_102515433106_100000211926 [0,0,0,0,0,0|2,0,2]=4 2042 B12R0.5 OCCCCCCCCOCCBr 34a_100000211926_100000033203 [0,0,0,0,0,0|2,0,2]=4 2043 B12R0.5 OCCCCCCCCSCCF 62a_100000033203_100011217306 [0,0,0,0,0,0|2,0,2]=4 2044 B12R0.5 OCCCCCCCCSCCF 62a_100011217306_100000033203 [0,0,0,0,0,0|2,0,2]=4 2045 B12R0.5 OCCCCCCCCSCCO 62a_100000033203_100000211926 [0,0,0,0,0,0|2,0,2]=4 2046 B12R0.5 OCCCCCCCCSCCO 62a_100000211926_100000033203 [0,0,0,0,0,0|2,0,2]=4 2047 B12R0.5 OCCCCCCCNCCCF 2230a_100011996573_100011934791 [0,0,0,0,0,0|2,0,2]=4 2048 B12R0.5 OCCCCCCCNCCCF 2230a_100015189416_100000760002 [0,0,0,0,0,0|2,0,2]=4 2049 B12R0.5 OCCCCCCCNCCCF 34a_100011996573_100011934791 [0,0,0,0,0,0|2,0,2]=4 2050 B12R0.5 OCCCCCCCNCCCF 34a_100015189416_100000760002 [0,0,0,0,0,0|2,0,2]=4 2051 B12R0.5 OCCCCCCCNCCCO 2230a_100011996573_100000230001 [0,0,0,0,0,0|2,0,2]=4 2052 B12R0.5 OCCCCCCCNCCCO 34a_100011996573_100000230001 [0,0,0,0,0,0|2,0,2]=4 2053 B12R0.5 OCCCCCCCOCCCBr 34a_100011217188_100000760002 [0,0,0,0,0,0|2,0,2]=4 2054 B12R0.5 OCCCCCCCOCCCCl 34a_100000230001_100000760002 [0,0,0,0,0,0|2,0,2]=4 2055 B12R0.5 OCCCCCCCOCCCF 34a_100000759539_100000760002 [0,0,0,0,0,0|2,0,2]=4 2056 B12R0.5 OCCCCCCCSCCCF 62a_100000760002_100011934791 [0,0,0,0,0,0|2,0,2]=4 2057 B12R0.5 OCCCCCCCSCCCF 62a_100011934791_100000760002 [0,0,0,0,0,0|2,0,2]=4 2058 B12R0.5 OCCCCCCCSCCCO 62a_100000760002_100011215043 [0,0,0,0,0,0|2,0,2]=4 2059 B12R0.5 OCCCCCCCSCCCO 62a_100011215043_100000760002 [0,0,0,0,0,0|2,0,2]=4 2060 B12R0.5 OCCCCCCNCCCCF 2230a_100000686447_100000729493 [0,0,0,0,0,0|2,0,2]=4 2061 B12R0.5 OCCCCCCNCCCCF 34a_100000686447_100000729493 [0,0,0,0,0,0|2,0,2]=4 2062 B12R0.5 OCCCCCCNCCCCO 2230a_100000686447_100000210776 [0,0,0,0,0,0|2,0,2]=4 2063 B12R0.5 OCCCCCCNCCCCO 2230a_100000750430_100000766143 [0,0,0,0,0,0|2,0,2]=4 2064 B12R0.5 OCCCCCCNCCCCO 34a_100000686447_100011216708 [0,0,0,0,0,0|2,0,2]=4 2065 B12R0.5 OCCCCCCNCCCCO 34a_100000750430_100000766143 [0,0,0,0,0,0|2,0,2]=4 2066 B12R0.5 OCCCCCCOCCCCBr 34a_100011216708_100000766143 [0,0,0,0,0,0|2,0,2]=4 2067 B12R0.5 OCCCCCCOCCCCCl 34a_100000210776_100000766143 [0,0,0,0,0,0|2,0,2]=4 2068 B12R0.5 OCCCCCCOCCCCCl 7a_100000210776_100000766143 [0,0,0,0,0,0|2,0,2]=4 2069 B12R0.5 OCCCCCCOCCCCF 34a_100011995726_100000766143 [0,0,0,0,0,0|2,0,2]=4 2070 B12R0.5 OCCCCCCOCCCCF 7a_100011995726_100000766143 [0,0,0,0,0,0|2,0,2]=4 2071 B12R0.5 OCCCCCCOCCCCI 34a_200012148704_100000766143 [0,0,0,0,0,0|2,0,2]=4 2072 B12R0.5 OCCCCCCSCCCCF 62a_100000729493_100000766143 [0,0,0,0,0,0|2,0,2]=4 2073 B12R0.5 OCCCCCCSCCCCF 62a_100000766143_100000729493 [0,0,0,0,0,0|2,0,2]=4 2074 B12R0.5 OCCCCCCSCCCCO 62a_100000210776_100000766143 [0,0,0,0,0,0|2,0,2]=4 2075 B12R0.5 OCCCCCCSCCCCO 62a_100000766143_100000210776 [0,0,0,0,0,0|2,0,2]=4 2076 B12R0.5 OCCCCCNCCCCCF 2230a_100000762737_100000729378 [0,0,0,0,0,0|2,0,2]=4 2077 B12R0.5 OCCCCCNCCCCCF 34a_100000762737_100000729378 [0,0,0,0,0,0|2,0,2]=4 2078 B12R0.5 OCCCCCNCCCCCO 2230a_100000762737_100000746330 [0,0,0,0,0,0|2,0,2]=4 2079 B12R0.5 OCCCCCNCCCCCO 34a_100000762737_100000746330 [0,0,0,0,0,0|2,0,2]=4 2080 B12R0.5 OCCCCCOCCCCCBr 34a_100000746331_100000746330 [0,0,0,0,0,0|2,0,2]=4 2081 B12R0.5 OCCCCCOCCCCCBr 7a_100000746331_100000746330 [0,0,0,0,0,0|2,0,2]=4 2082 B12R0.5 OCCCCCOCCCCCCl 34a_100000746330_100000746330 [0,0,0,0,0,0|2,0,2]=4 2083 B12R0.5 OCCCCCOCCCCCCl 7a_100000746330_100000746330 [0,0,0,0,0,0|2,0,2]=4 2084 B12R0.5 OCCCCCOCCCCCI 34a_200012148887_100000746330 [0,0,0,0,0,0|2,0,2]=4 2085 B12R0.5 OCCCCCOCCCCCI 7a_200012148887_100000746330 [0,0,0,0,0,0|2,0,2]=4 2086 B12R0.5 OCCCCCSCCCCCF 62a_100000729378_100000746330 [0,0,0,0,0,0|2,0,2]=4 2087 B12R0.5 OCCCCCSCCCCCF 62a_100000746330_100000729378 [0,0,0,0,0,0|2,0,2]=4 2088 B12R0.5 OCCCCCSCCCCCO 62a_100000746330_100000746330 [0,0,0,0,0,0|2,0,2]=4 2089 B12R0.5 OCCCCNCCCCCCF 2230a_100000750430_100015922095 [0,0,0,0,0,0|2,0,2]=4 2090 B12R0.5 OCCCCNCCCCCCF 34a_100000750430_100015922095 [0,0,0,0,0,0|2,0,2]=4 2091 B12R0.5 OCCCCOCCCCCCBr 34a_100011215345_100011216708 [0,0,0,0,0,0|2,0,2]=4 2092 B12R0.5 OCCCCOCCCCCCBr 7a_100011215345_100000210776 [0,0,0,0,0,0|2,0,2]=4 2093 B12R0.5 OCCCCOCCCCCCCl 34a_100000766143_100011216708 [0,0,0,0,0,0|2,0,2]=4 2094 B12R0.5 OCCCCOCCCCCCCl 7a_100000766143_100000210776 [0,0,0,0,0,0|2,0,2]=4 2095 B12R0.5 OCCCCOCCCCCCF 34a_100000732779_100011216708 [0,0,0,0,0,0|2,0,2]=4 2096 B12R0.5 OCCCCOCCCCCCF 7a_100000732779_100000210776 [0,0,0,0,0,0|2,0,2]=4 2097 B12R0.5 OCCCCSCCCCCCF 62a_100000210776_100015922095 [0,0,0,0,0,0|2,0,2]=4 2098 B12R0.5 OCCCCSCCCCCCF 62a_100015922095_100000210776 [0,0,0,0,0,0|2,0,2]=4 2099 B12R0.5 OCCCOCCCCCCCBr 34a_100000760002_100000230001 [0,0,0,0,0,0|2,0,2]=4 2100 B12R0.5 OCCCOCCCCCCCBr 7a_100000760002_100011215043 [0,0,0,0,0,0|2,0,2]=4 2101 B12R0.5 OCCOCCCCCCCCBr 34a_100009813846_100000211926 [0,0,0,0,0,0|2,0,2]=4 2102 B12R0.5 OCCOCCCCCCCCBr 7a_100009813846_100000211926 [0,0,0,0,0,0|2,0,2]=4 2103 B12R0.5 OCCOCCCCCCCCCl 34a_100000033203_100000211926 [0,0,0,0,0,0|2,0,2]=4 2104 B12R0.5 OCCOCCCCCCCCCl 7a_100000033203_100000211926 [0,0,0,0,0,0|2,0,2]=4 2105 B12R0.5 [13CH3]NCCCCCCCCCCO 2230a_100000066964_200025704644 [0,0,0,0,0,0|1,0,2]=3 2106 B12R0.5 [13CH3]NCCCCCCCCCCO 34a_100000066964_200025704644 [0,0,0,0,0,0|1,0,2]=3 2107 B12R0.5 [13CH3]OCCCCCCCCCCBr 34a_100009813290_200025704644 [0,0,0,0,0,0|2,0,1]=3 2108 B12R0.5 [13CH3]OCCCCCCCCCCBr 7a_100009813290_200025704644 [0,0,0,0,0,0|2,0,1]=3 2109 B12R0.5 [13CH3]OCCCCCCCCCCCl 34a_200000033068_200025704644 [0,0,0,0,0,0|2,0,1]=3 2110 B12R0.5 [13CH3]OCCCCCCCCCCCl 7a_200000033068_200025704644 [0,0,0,0,0,0|2,0,1]=3 2111 B12R0.5 [13CH3]OCCCCCCCCCCN 34a_100000066964_200025704644 [0,0,0,0,0,0|2,0,1]=3 2112 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_100009813290_200025704644 [0,0,0,0,0,0|1,0,2]=3 2113 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_200025704644_200000033068 [0,0,0,0,0,0|1,0,2]=3 2114 B12R0.5 [N-]=[N+]=NCCCCCCNCC=O 2230a_200000049180_200015260668 [0,0,0,0,0,0|4,0,0]=4 2115 B12R0.5 [N-]=[N+]=NCCCCNCCCC=O 2230a_100000101370_200011292268 [0,0,0,0,0,0|4,0,0]=4 2116 B12R0.5 [N-]=[N+]=NCCCNCCCCC=O 2230a_100000744732_100000139335 [0,0,0,0,0,0|4,0,0]=4 2117 B11R0.3 C#CCCCCCCCCOC 34a_100000065265_200000210301 [1,0,0,0,0,0|1,0,2]=4 2118 B11R0.3 C#CCCCCCCCCOC 7a_100000065265_200000210301 [1,0,0,0,0,0|1,0,2]=4 2119 B11R0.3 C#CCCCCCCCCO[13CH3] 34a_100000065265_200025704644 [1,0,0,0,0,0|1,0,2]=4 2120 B11R0.3 C#CCCCCCCCCO[13CH3] 7a_100000065265_200025704644 [1,0,0,0,0,0|1,0,2]=4 2121 B11R0.3 C#CCCCCCCCNCC 2230a_100015525214_100153394163 [1,0,0,0,0,0|1,0,2]=4 2122 B11R0.3 C#CCCCCCCCOCC 34a_100000054614_100000210202 [1,0,0,0,0,0|1,0,2]=4 2123 B11R0.3 C#CCCCCCCCOCC 34a_100121572206_100153394163 [1,0,0,0,0,0|1,0,2]=4 2124 B11R0.3 C#CCCCCCCCOCC 7a_100000054614_100000210202 [1,0,0,0,0,0|1,0,2]=4 2125 B11R0.3 C#CCCCCCCCSCC 62a_100000210202_100153394163 [1,0,0,0,0,0|1,0,2]=4 2126 B11R0.3 C#CCCCCCCCSCC 62a_100153394163_100000210202 [1,0,0,0,0,0|1,0,2]=4 2127 B11R0.3 C#CCCCCCCOCC=O 34a_100011217361_200009817547 [1,0,0,0,0,0|1,0,2]=4 2128 B11R0.3 C#CCCCCCCOCC=O 7a_100011217361_200015260668 [1,0,0,0,0,0|1,0,2]=4 2129 B11R0.3 C#CCCCCCCOCCC 34a_100000210258_100012276617 [1,0,0,0,0,0|1,0,2]=4 2130 B11R0.3 C#CCCCCCCOCCC 34a_100011217361_100000210303 [1,0,0,0,0,0|1,0,2]=4 2131 B11R0.3 C#CCCCCCCOCCC 7a_100011217361_100000210303 [1,0,0,0,0,0|1,0,2]=4 2132 B11R0.3 C#CCCCCCCSCC=O 62a_100012276617_200015260668 [1,0,0,0,0,0|1,0,2]=4 2133 B11R0.3 C#CCCCCCCSCC=O 62a_200015260668_100012276617 [1,0,0,0,0,0|1,0,2]=4 2134 B11R0.3 C#CCCCCCCSCCC 62a_100000210303_100012276617 [1,0,0,0,0,0|1,0,2]=4 2135 B11R0.3 C#CCCCCCCSCCC 62a_100012276617_100000210303 [1,0,0,0,0,0|1,0,2]=4 2136 B11R0.3 C#CCCCCCNCCCC 2230a_100000102301_100012094781 [1,0,0,0,0,0|1,0,2]=4 2137 B11R0.3 C#CCCCCCNCCCC 7a_106832991798_100012094781 [1,0,0,0,0,0|1,0,2]=4 2138 B11R0.3 C#CCCCCCOCCCC 34a_100000210227_100012094781 [1,0,0,0,0,0|1,0,2]=4 2139 B11R0.3 C#CCCCCCOCCCC 34a_100000766912_100000210210 [1,0,0,0,0,0|1,0,2]=4 2140 B11R0.3 C#CCCCCCOCCCC 7a_100000210227_100012094781 [1,0,0,0,0,0|1,0,2]=4 2141 B11R0.3 C#CCCCCCOCCCC 7a_100000766912_100000210211 [1,0,0,0,0,0|1,0,2]=4 2142 B11R0.3 C#CCCCCCSCCCC 62a_100000210211_100012094781 [1,0,0,0,0,0|1,0,2]=4 2143 B11R0.3 C#CCCCCCSCCCC 62a_100012094781_100000210210 [1,0,0,0,0,0|1,0,2]=4 2144 B11R0.3 C#CCCCCNCCCC=O 2230a_100000706060_200011292268 [1,0,0,0,0,0|1,0,2]=4 2145 B11R0.3 C#CCCCCNCCCCC 2230a_100000209983_100010269958 [1,0,0,0,0,0|1,0,2]=4 2146 B11R0.3 C#CCCCCNCCCCC 2230a_100000706060_100000210326 [1,0,0,0,0,0|1,0,2]=4 2147 B11R0.3 C#CCCCCNCCCCC 34a_100000706060_100000718602 [1,0,0,0,0,0|1,0,2]=4 2148 B11R0.3 C#CCCCCOCCCC=O 7a_100000766709_200011292268 [1,0,0,0,0,0|1,0,2]=4 2149 B11R0.3 C#CCCCCOCCCCC 34a_100000210253_100010269958 [1,0,0,0,0,0|1,0,2]=4 2150 B11R0.3 C#CCCCCOCCCCC 34a_100000766709_100000718602 [1,0,0,0,0,0|1,0,2]=4 2151 B11R0.3 C#CCCCCOCCCCC 7a_100000210253_100010269958 [1,0,0,0,0,0|1,0,2]=4 2152 B11R0.3 C#CCCCCOCCCCC 7a_100000766709_100000210326 [1,0,0,0,0,0|1,0,2]=4 2153 B11R0.3 C#CCCCCSCCCC=O 62a_100010269958_200011292268 [1,0,0,0,0,0|1,0,2]=4 2154 B11R0.3 C#CCCCCSCCCC=O 62a_200011292268_100010269958 [1,0,0,0,0,0|1,0,2]=4 2155 B11R0.3 C#CCCCCSCCCCC 62a_100000210326_100010269958 [1,0,0,0,0,0|1,0,2]=4 2156 B11R0.3 C#CCCCCSCCCCC 62a_100010269958_100000210326 [1,0,0,0,0,0|1,0,2]=4 2157 B11R0.3 C#CCCCNCCCCCC 2230a_100000210581_100000731252 [1,0,0,0,0,0|1,0,2]=4 2158 B11R0.3 C#CCCCNCCCCCC 34a_100000718082_100000210314 [1,0,0,0,0,0|1,0,2]=4 2159 B11R0.3 C#CCCCOCCCCC=O 7a_100000215630_100000139335 [1,0,0,0,0,0|1,0,2]=4 2160 B11R0.3 C#CCCCOCCCCCC 34a_100000210259_100000695029 [1,0,0,0,0,0|1,0,2]=4 2161 B11R0.3 C#CCCCOCCCCCC 34a_100000215630_100000210314 [1,0,0,0,0,0|1,0,2]=4 2162 B11R0.3 C#CCCCOCCCCCC 7a_100000210259_100011215417 [1,0,0,0,0,0|1,0,2]=4 2163 B11R0.3 C#CCCCOCCCCCC 7a_100000215630_100000210314 [1,0,0,0,0,0|1,0,2]=4 2164 B11R0.3 C#CCCCSCCCCC=O 62a_100000139335_100011215417 [1,0,0,0,0,0|1,0,2]=4 2165 B11R0.3 C#CCCCSCCCCC=O 62a_100011215417_100000139335 [1,0,0,0,0,0|1,0,2]=4 2166 B11R0.3 C#CCCCSCCCCCC 62a_100000210314_100011215417 [1,0,0,0,0,0|1,0,2]=4 2167 B11R0.3 C#CCCCSCCCCCC 62a_100011215417_100000210757 [1,0,0,0,0,0|1,0,2]=4 2168 B11R0.3 C#CCCNCCCCCCC 2230a_100000229938_100000688953 [1,0,0,0,0,0|1,0,2]=4 2169 B11R0.3 C#CCCNCCCCCCC 34a_100000755551_100000210614 [1,0,0,0,0,0|1,0,2]=4 2170 B11R0.3 C#CCCOCCCCCCC 34a_100000210272_100000688953 [1,0,0,0,0,0|1,0,2]=4 2171 B11R0.3 C#CCCOCCCCCCC 34a_100011215631_100000210614 [1,0,0,0,0,0|1,0,2]=4 2172 B11R0.3 C#CCCOCCCCCCC 7a_100000210272_100000688953 [1,0,0,0,0,0|1,0,2]=4 2173 B11R0.3 C#CCCSCCCCCC=O 62a_100000139337_100000688953 [1,0,0,0,0,0|1,0,2]=4 2174 B11R0.3 C#CCCSCCCCCC=O 62a_100000688953_100000139337 [1,0,0,0,0,0|1,0,2]=4 2175 B11R0.3 C#CCCSCCCCCCC 62a_100000210614_100000688953 [1,0,0,0,0,0|1,0,2]=4 2176 B11R0.3 C#CCCSCCCCCCC 62a_100000688953_100000210316 [1,0,0,0,0,0|1,0,2]=4 2177 B11R0.3 C#CCNCCCCCCCC 2230a_100000229939_100000038162 [1,0,0,0,0,0|1,0,2]=4 2178 B11R0.3 C#CCNCCCCCCCC 34a_100000212058_100000210759 [1,0,0,0,0,0|1,0,2]=4 2179 B11R0.3 C#CCNCCCCCCCC 34a_100000229939_100000184674 [1,0,0,0,0,0|1,0,2]=4 2180 B11R0.3 C#CCOCCCCCCCC 34a_100000210232_100000184674 [1,0,0,0,0,0|1,0,2]=4 2181 B11R0.3 C#CCOCCCCCCCC 34a_100000210247_100000210759 [1,0,0,0,0,0|1,0,2]=4 2182 B11R0.3 C#CCOCCCCCCCC 7a_100000210232_100000038162 [1,0,0,0,0,0|1,0,2]=4 2183 B11R0.3 C#CCSCCCCCCCC 62a_100000038162_100000210317 [1,0,0,0,0,0|1,0,2]=4 2184 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [1,0,0,0,0,0|2,0,1]=4 2185 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [1,0,0,0,0,0|2,0,1]=4 2186 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [1,0,0,0,0,0|2,0,1]=4 2187 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [1,0,0,0,0,0|2,0,1]=4 2188 B11R0.3 C/C=C/CSCCCCCC=O 62a_100000139337_100102629194 [1,0,0,0,0,0|1,0,2]=4 2189 B11R0.3 C/C=C/CSCCCCCC=O 62a_100102629194_100000139337 [1,0,0,0,0,0|1,0,2]=4 2190 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [1,0,0,0,0,0|2,0,1]=4 2191 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [1,0,0,0,0,0|2,0,1]=4 2192 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [1,0,0,0,0,0|1,0,1]=3 2193 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [1,0,0,0,0,0|1,0,1]=3 2194 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [1,0,0,0,0,0|1,0,1]=3 2195 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [1,0,0,0,0,0|1,0,1]=3 2196 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [1,0,0,0,0,0|1,0,1]=3 2197 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [1,0,0,0,0,0|1,0,1]=3 2198 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [1,0,0,0,0,0|1,0,1]=3 2199 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [1,0,0,0,0,0|1,0,1]=3 2200 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [1,0,0,0,0,0|1,0,1]=3 2201 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [1,0,0,0,0,0|1,0,1]=3 2202 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [1,0,0,0,0,0|1,0,1]=3 2203 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [1,0,0,0,0,0|1,0,1]=3 2204 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [1,0,0,0,0,0|1,0,1]=3 2205 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [1,0,0,0,0,0|1,0,1]=3 2206 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [1,0,0,0,0,0|1,0,1]=3 2207 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [1,0,0,0,0,0|1,0,1]=3 2208 B11R0.3 C=CCCCCCCCOCF 34a_100000730831_100015361967 [1,0,0,0,0,0|2,0,1]=4 2209 B11R0.3 C=CCCCCCCCOCF 7a_100000730831_100015361967 [1,0,0,0,0,0|2,0,1]=4 2210 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [1,0,0,0,0,0|1,0,1]=3 2211 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [1,0,0,0,0,0|1,0,1]=3 2212 B11R0.3 C=CCCCCCCCSCF 62a_100012355270_100015361967 [1,0,0,0,0,0|2,0,1]=4 2213 B11R0.3 C=CCCCCCCCSCF 62a_100015361967_100012355270 [1,0,0,0,0,0|2,0,1]=4 2214 B11R0.3 C=CCCCCCCNCCF 34a_100000724931_100011215473 [1,0,0,0,0,0|2,0,1]=4 2215 B11R0.3 C=CCCCCCCNCCO 2230a_100016997473_100011215473 [1,0,0,0,0,0|2,0,1]=4 2216 B11R0.3 C=CCCCCCCNCCO 34a_100016990907_100011215473 [1,0,0,0,0,0|2,0,1]=4 2217 B11R0.3 C=CCCCCCCOCC=O 34a_200011216477_200009817547 [1,0,0,0,0,0|1,0,2]=4 2218 B11R0.3 C=CCCCCCCOCC=O 7a_200011216477_200015260668 [1,0,0,0,0,0|1,0,2]=4 2219 B11R0.3 C=CCCCCCCOCCBr 34a_100000211926_100011215473 [1,0,0,0,0,0|2,0,1]=4 2220 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [1,0,0,0,0,0|1,0,1]=3 2221 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [1,0,0,0,0,0|1,0,1]=3 2222 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [1,0,0,0,0,0|1,0,1]=3 2223 B11R0.3 C=CCCCCCCOCCF 34a_200011216477_100011217306 [1,0,0,0,0,0|2,0,1]=4 2224 B11R0.3 C=CCCCCCCOCCF 7a_200011216477_100011217306 [1,0,0,0,0,0|2,0,1]=4 2225 B11R0.3 C=CCCCCCCOCCN 34a_100000210304_100011215473 [1,0,0,0,0,0|2,0,1]=4 2226 B11R0.3 C=CCCCCCCOCCO 34a_200011216477_100000211926 [1,0,0,0,0,0|2,0,1]=4 2227 B11R0.3 C=CCCCCCCOCCO 7a_200011216477_100000211926 [1,0,0,0,0,0|2,0,1]=4 2228 B11R0.3 C=CCCCCCCOCSC 34a_200011216477_100011218213 [1,0,0,0,0,0|2,0,1]=4 2229 B11R0.3 C=CCCCCCCSCC=O 62a_100011215473_200015260668 [1,0,0,0,0,0|1,0,2]=4 2230 B11R0.3 C=CCCCCCCSCC=O 62a_200015260668_100011215473 [1,0,0,0,0,0|1,0,2]=4 2231 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [1,0,0,0,0,0|1,0,1]=3 2232 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [1,0,0,0,0,0|1,0,1]=3 2233 B11R0.3 C=CCCCCCCSCCF 62a_100011215473_100011217306 [1,0,0,0,0,0|2,0,1]=4 2234 B11R0.3 C=CCCCCCCSCCF 62a_100011217306_100011215473 [1,0,0,0,0,0|2,0,1]=4 2235 B11R0.3 C=CCCCCCCSCCO 62a_100000211926_100011215473 [1,0,0,0,0,0|2,0,1]=4 2236 B11R0.3 C=CCCCCCCSCCO 62a_100011215473_100000211926 [1,0,0,0,0,0|2,0,1]=4 2237 B11R0.3 C=CCCCCCCSCOC 62a_100000766300_100011215473 [1,0,0,0,0,0|2,0,1]=4 2238 B11R0.3 C=CCCCCCCSCOC 62a_100011215473_100000766300 [1,0,0,0,0,0|2,0,1]=4 2239 B11R0.3 C=CCCCCCCSCSC 62a_100011215473_100011218213 [1,0,0,0,0,0|2,0,1]=4 2240 B11R0.3 C=CCCCCCCSCSC 62a_100011218213_100011215473 [1,0,0,0,0,0|2,0,1]=4 2241 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [1,0,0,0,0,0|1,0,1]=3 2242 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [1,0,0,0,0,0|1,0,1]=3 2243 B11R0.3 C=CCCCCCNCCCF 2230a_100015189416_100000700193 [1,0,0,0,0,0|2,0,1]=4 2244 B11R0.3 C=CCCCCCNCCCF 34a_100015189416_100000700193 [1,0,0,0,0,0|2,0,1]=4 2245 B11R0.3 C=CCCCCCNCCOC 2230a_100000209980_100000700193 [1,0,0,0,0,0|2,0,1]=4 2246 B11R0.3 C=CCCCCCNCCSC 2230a_100020590264_100000700193 [1,0,0,0,0,0|2,0,1]=4 2247 B11R0.3 C=CCCCCCOCCCBr 34a_100011217188_100000700193 [1,0,0,0,0,0|2,0,1]=4 2248 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [1,0,0,0,0,0|1,0,1]=3 2249 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [1,0,0,0,0,0|1,0,1]=3 2250 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [1,0,0,0,0,0|1,0,1]=3 2251 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [1,0,0,0,0,0|1,0,1]=3 2252 B11R0.3 C=CCCCCCOCCCCl 34a_100000230001_100000700193 [1,0,0,0,0,0|2,0,1]=4 2253 B11R0.3 C=CCCCCCOCCCF 34a_100000759539_100000700193 [1,0,0,0,0,0|2,0,1]=4 2254 B11R0.3 C=CCCCCCOCCCF 34a_100011216702_100011934791 [1,0,0,0,0,0|2,0,1]=4 2255 B11R0.3 C=CCCCCCOCCCF 7a_100011216702_100011934791 [1,0,0,0,0,0|2,0,1]=4 2256 B11R0.3 C=CCCCCCOCCCN 34a_100000182051_100000700193 [1,0,0,0,0,0|2,0,1]=4 2257 B11R0.3 C=CCCCCCOCCCO 34a_100011216702_100000230001 [1,0,0,0,0,0|2,0,1]=4 2258 B11R0.3 C=CCCCCCOCCCO 7a_100011216702_100011215043 [1,0,0,0,0,0|2,0,1]=4 2259 B11R0.3 C=CCCCCCOCCOC 34a_100000210237_100000700193 [1,0,0,0,0,0|2,0,1]=4 2260 B11R0.3 C=CCCCCCOCCOC 34a_100011216702_100011201679 [1,0,0,0,0,0|2,0,1]=4 2261 B11R0.3 C=CCCCCCOCCOC 7a_100011216702_100000233755 [1,0,0,0,0,0|2,0,1]=4 2262 B11R0.3 C=CCCCCCOCCSC 34a_100000230434_100000700193 [1,0,0,0,0,0|2,0,1]=4 2263 B11R0.3 C=CCCCCCOCCSC 34a_100011216702_100000212216 [1,0,0,0,0,0|2,0,1]=4 2264 B11R0.3 C=CCCCCCOCCSC 7a_100000230434_100000700193 [1,0,0,0,0,0|2,0,1]=4 2265 B11R0.3 C=CCCCCCOCCSC 7a_100011216702_100000212216 [1,0,0,0,0,0|2,0,1]=4 2266 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [1,0,0,0,0,0|1,0,1]=3 2267 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [1,0,0,0,0,0|1,0,1]=3 2268 B11R0.3 C=CCCCCCSCCCF 62a_100000700193_100011934791 [1,0,0,0,0,0|2,0,1]=4 2269 B11R0.3 C=CCCCCCSCCCF 62a_100011934791_100000700193 [1,0,0,0,0,0|2,0,1]=4 2270 B11R0.3 C=CCCCCCSCCCO 62a_100000700193_100011215043 [1,0,0,0,0,0|2,0,1]=4 2271 B11R0.3 C=CCCCCCSCCCO 62a_100011215043_100000700193 [1,0,0,0,0,0|2,0,1]=4 2272 B11R0.3 C=CCCCCCSCCOC 62a_100000233755_100000700193 [1,0,0,0,0,0|2,0,1]=4 2273 B11R0.3 C=CCCCCCSCCOC 62a_100000700193_100000233755 [1,0,0,0,0,0|2,0,1]=4 2274 B11R0.3 C=CCCCCCSCCSC 62a_100000212216_100000700193 [1,0,0,0,0,0|2,0,1]=4 2275 B11R0.3 C=CCCCCCSCCSC 62a_100000700193_100000751147 [1,0,0,0,0,0|2,0,1]=4 2276 B11R0.3 C=CCCCCCSCOCC 62a_100000700193_100000739092 [1,0,0,0,0,0|2,0,1]=4 2277 B11R0.3 C=CCCCCCSCOCC 62a_100000739092_100000700193 [1,0,0,0,0,0|2,0,1]=4 2278 B11R0.3 C=CCCCCNCCCC=O 2230a_100000703577_200011292268 [1,0,0,0,0,0|1,0,2]=4 2279 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [1,0,0,0,0,0|1,0,1]=3 2280 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [1,0,0,0,0,0|1,0,1]=3 2281 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [1,0,0,0,0,0|1,0,1]=3 2282 B11R0.3 C=CCCCCNCCCCF 2230a_100000703577_100000729493 [1,0,0,0,0,0|2,0,1]=4 2283 B11R0.3 C=CCCCCNCCCCF 34a_100000703577_100000729493 [1,0,0,0,0,0|2,0,1]=4 2284 B11R0.3 C=CCCCCNCCCCO 2230a_100000703577_100000210776 [1,0,0,0,0,0|2,0,1]=4 2285 B11R0.3 C=CCCCCNCCCCO 2230a_100000750430_100011215482 [1,0,0,0,0,0|2,0,1]=4 2286 B11R0.3 C=CCCCCNCCCCO 34a_100000703577_100011216708 [1,0,0,0,0,0|2,0,1]=4 2287 B11R0.3 C=CCCCCNCCCCO 34a_100000750430_100011215482 [1,0,0,0,0,0|2,0,1]=4 2288 B11R0.3 C=CCCCCNCCCOC 2230a_100000703577_100000740836 [1,0,0,0,0,0|2,0,1]=4 2289 B11R0.3 C=CCCCCNCCCOC 34a_100000703577_100000740836 [1,0,0,0,0,0|2,0,1]=4 2290 B11R0.3 C=CCCCCNCCCOC 34a_100150723488_100011215482 [1,0,0,0,0,0|2,0,1]=4 2291 B11R0.3 C=CCCCCNCCCSC 2230a_100000749238_100011215482 [1,0,0,0,0,0|2,0,1]=4 2292 B11R0.3 C=CCCCCNCCOCC 2230a_100000703577_100011215890 [1,0,0,0,0,0|2,0,1]=4 2293 B11R0.3 C=CCCCCNCCOCC 2230a_102516460346_100011215482 [1,0,0,0,0,0|2,0,1]=4 2294 B11R0.3 C=CCCCCNCCOCC 34a_100000703577_100000210147 [1,0,0,0,0,0|2,0,1]=4 2295 B11R0.3 C=CCCCCNCCOCC 34a_102516460346_100011215482 [1,0,0,0,0,0|2,0,1]=4 2296 B11R0.3 C=CCCCCNCCSCC 2230a_100000106463_100011215482 [1,0,0,0,0,0|2,0,1]=4 2297 B11R0.3 C=CCCCCNCCSCC 2230a_100000703577_100000757381 [1,0,0,0,0,0|2,0,1]=4 2298 B11R0.3 C=CCCCCNCCSCC 34a_100000703577_100000757381 [1,0,0,0,0,0|2,0,1]=4 2299 B11R0.3 C=CCCCCOCCCC=O 7a_100000766645_200011292268 [1,0,0,0,0,0|1,0,2]=4 2300 B11R0.3 C=CCCCCOCCCCBr 34a_100011216708_100011215482 [1,0,0,0,0,0|2,0,1]=4 2301 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [1,0,0,0,0,0|1,0,1]=3 2302 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [1,0,0,0,0,0|1,0,1]=3 2303 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [1,0,0,0,0,0|1,0,1]=3 2304 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [1,0,0,0,0,0|1,0,1]=3 2305 B11R0.3 C=CCCCCOCCCCCl 34a_100000210776_100011215482 [1,0,0,0,0,0|2,0,1]=4 2306 B11R0.3 C=CCCCCOCCCCCl 7a_100000210776_100011215482 [1,0,0,0,0,0|2,0,1]=4 2307 B11R0.3 C=CCCCCOCCCCF 34a_100000766645_100000729493 [1,0,0,0,0,0|2,0,1]=4 2308 B11R0.3 C=CCCCCOCCCCF 34a_100011995726_100011215482 [1,0,0,0,0,0|2,0,1]=4 2309 B11R0.3 C=CCCCCOCCCCF 7a_100000766645_100000729493 [1,0,0,0,0,0|2,0,1]=4 2310 B11R0.3 C=CCCCCOCCCCF 7a_100011995726_100011215482 [1,0,0,0,0,0|2,0,1]=4 2311 B11R0.3 C=CCCCCOCCCCI 34a_200012148704_100011215482 [1,0,0,0,0,0|2,0,1]=4 2312 B11R0.3 C=CCCCCOCCCCN 34a_100000750430_100011215482 [1,0,0,0,0,0|2,0,1]=4 2313 B11R0.3 C=CCCCCOCCCCO 34a_100000766645_100011216708 [1,0,0,0,0,0|2,0,1]=4 2314 B11R0.3 C=CCCCCOCCCCO 7a_100000766645_100000210776 [1,0,0,0,0,0|2,0,1]=4 2315 B11R0.3 C=CCCCCOCCCNC 34a_100000213112_100011215482 [1,0,0,0,0,0|2,0,1]=4 2316 B11R0.3 C=CCCCCOCCCOC 34a_100000740835_100011215482 [1,0,0,0,0,0|2,0,1]=4 2317 B11R0.3 C=CCCCCOCCCOC 34a_100000766645_100000740836 [1,0,0,0,0,0|2,0,1]=4 2318 B11R0.3 C=CCCCCOCCCOC 7a_100000766645_100000740836 [1,0,0,0,0,0|2,0,1]=4 2319 B11R0.3 C=CCCCCOCCCSC 34a_100000690336_100011215482 [1,0,0,0,0,0|2,0,1]=4 2320 B11R0.3 C=CCCCCOCCCSC 7a_100000690336_100011215482 [1,0,0,0,0,0|2,0,1]=4 2321 B11R0.3 C=CCCCCOCCOCC 34a_100000210136_100011215482 [1,0,0,0,0,0|2,0,1]=4 2322 B11R0.3 C=CCCCCOCCOCC 34a_100000766645_100000210147 [1,0,0,0,0,0|2,0,1]=4 2323 B11R0.3 C=CCCCCOCCOCC 7a_100000210136_100011215482 [1,0,0,0,0,0|2,0,1]=4 2324 B11R0.3 C=CCCCCOCCOCC 7a_100000766645_100011215890 [1,0,0,0,0,0|2,0,1]=4 2325 B11R0.3 C=CCCCCOCCSCC 34a_100000212035_100011215482 [1,0,0,0,0,0|2,0,1]=4 2326 B11R0.3 C=CCCCCOCCSCC 34a_100000766645_100000757381 [1,0,0,0,0,0|2,0,1]=4 2327 B11R0.3 C=CCCCCOCCSCC 7a_100000212035_100011215482 [1,0,0,0,0,0|2,0,1]=4 2328 B11R0.3 C=CCCCCOCCSCC 7a_100000766645_100000757381 [1,0,0,0,0,0|2,0,1]=4 2329 B11R0.3 C=CCCCCSCCCC=O 62a_100011215482_200011292268 [1,0,0,0,0,0|1,0,2]=4 2330 B11R0.3 C=CCCCCSCCCC=O 62a_200011292268_100011215482 [1,0,0,0,0,0|1,0,2]=4 2331 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [1,0,0,0,0,0|1,0,1]=3 2332 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [1,0,0,0,0,0|1,0,1]=3 2333 B11R0.3 C=CCCCCSCCCCF 62a_100000729493_100011215482 [1,0,0,0,0,0|2,0,1]=4 2334 B11R0.3 C=CCCCCSCCCCF 62a_100011215482_100000729493 [1,0,0,0,0,0|2,0,1]=4 2335 B11R0.3 C=CCCCCSCCCCO 62a_100000210776_100011215482 [1,0,0,0,0,0|2,0,1]=4 2336 B11R0.3 C=CCCCCSCCCCO 62a_100011215482_100000210776 [1,0,0,0,0,0|2,0,1]=4 2337 B11R0.3 C=CCCCCSCCCOC 62a_100000709357_100011215482 [1,0,0,0,0,0|2,0,1]=4 2338 B11R0.3 C=CCCCCSCCCOC 62a_100011215482_100000709357 [1,0,0,0,0,0|2,0,1]=4 2339 B11R0.3 C=CCCCCSCCOCC 62a_100000210147_100011215482 [1,0,0,0,0,0|2,0,1]=4 2340 B11R0.3 C=CCCCCSCCOCC 62a_100011215482_100011215890 [1,0,0,0,0,0|2,0,1]=4 2341 B11R0.3 C=CCCCCSCCSCC 62a_100000757381_100011215482 [1,0,0,0,0,0|2,0,1]=4 2342 B11R0.3 C=CCCCCSCCSCC 62a_100011215482_100000757381 [1,0,0,0,0,0|2,0,1]=4 2343 B11R0.3 C=CCCCNCCCCC=O 2230a_100000700776_100000139335 [1,0,0,0,0,0|1,0,2]=4 2344 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [1,0,0,0,0,0|1,0,1]=3 2345 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [1,0,0,0,0,0|1,0,1]=3 2346 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [1,0,0,0,0,0|1,0,1]=3 2347 B11R0.3 C=CCCCNCCCCCF 2230a_100000700776_100000729378 [1,0,0,0,0,0|2,0,1]=4 2348 B11R0.3 C=CCCCNCCCCCF 34a_100000700776_100000729378 [1,0,0,0,0,0|2,0,1]=4 2349 B11R0.3 C=CCCCNCCCCCO 2230a_100000700776_100000746330 [1,0,0,0,0,0|2,0,1]=4 2350 B11R0.3 C=CCCCNCCCCCO 2230a_100000762737_100011713584 [1,0,0,0,0,0|2,0,1]=4 2351 B11R0.3 C=CCCCNCCCCCO 34a_100000700776_100000746330 [1,0,0,0,0,0|2,0,1]=4 2352 B11R0.3 C=CCCCNCCCCCO 34a_100000762737_100000757094 [1,0,0,0,0,0|2,0,1]=4 2353 B11R0.3 C=CCCCNCCCCOC 2230a_100000700776_100000730899 [1,0,0,0,0,0|2,0,1]=4 2354 B11R0.3 C=CCCCNCCCCOC 34a_100000700776_100000755781 [1,0,0,0,0,0|2,0,1]=4 2355 B11R0.3 C=CCCCNCCCOCC 2230a_100000210961_100011713584 [1,0,0,0,0,0|2,0,1]=4 2356 B11R0.3 C=CCCCNCCCOCC 2230a_100000700776_100012232248 [1,0,0,0,0,0|2,0,1]=4 2357 B11R0.3 C=CCCCNCCCOCC 34a_100000210961_100000757094 [1,0,0,0,0,0|2,0,1]=4 2358 B11R0.3 C=CCCCNCCCOCC 34a_100000700776_100012232248 [1,0,0,0,0,0|2,0,1]=4 2359 B11R0.3 C=CCCCNCCOCCC 2230a_100000700776_100011215938 [1,0,0,0,0,0|2,0,1]=4 2360 B11R0.3 C=CCCCNCCOCCC 2230a_100161115042_100011713584 [1,0,0,0,0,0|2,0,1]=4 2361 B11R0.3 C=CCCCNCCOCCC 34a_100000700776_100011215938 [1,0,0,0,0,0|2,0,1]=4 2362 B11R0.3 C=CCCCNCCOCCC 34a_100161115042_100000757094 [1,0,0,0,0,0|2,0,1]=4 2363 B11R0.3 C=CCCCNCCSCCC 2230a_100020603323_100011713584 [1,0,0,0,0,0|2,0,1]=4 2364 B11R0.3 C=CCCCNCOCCCC 2230a_100000700776_100011995733 [1,0,0,0,0,0|2,0,1]=4 2365 B11R0.3 C=CCCCNCOCCCC 34a_100000700776_100011995733 [1,0,0,0,0,0|2,0,1]=4 2366 B11R0.3 C=CCCCOCCCCC=O 7a_100000758997_100000139335 [1,0,0,0,0,0|1,0,2]=4 2367 B11R0.3 C=CCCCOCCCCCBr 34a_100000746331_100000757094 [1,0,0,0,0,0|2,0,1]=4 2368 B11R0.3 C=CCCCOCCCCCBr 7a_100000746331_100000757094 [1,0,0,0,0,0|2,0,1]=4 2369 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [1,0,0,0,0,0|1,0,1]=3 2370 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [1,0,0,0,0,0|1,0,1]=3 2371 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [1,0,0,0,0,0|1,0,1]=3 2372 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [1,0,0,0,0,0|1,0,1]=3 2373 B11R0.3 C=CCCCOCCCCCCl 34a_100000746330_100000757094 [1,0,0,0,0,0|2,0,1]=4 2374 B11R0.3 C=CCCCOCCCCCCl 7a_100000746330_100000757094 [1,0,0,0,0,0|2,0,1]=4 2375 B11R0.3 C=CCCCOCCCCCF 34a_100000758997_100000729378 [1,0,0,0,0,0|2,0,1]=4 2376 B11R0.3 C=CCCCOCCCCCF 7a_100000758997_100000729378 [1,0,0,0,0,0|2,0,1]=4 2377 B11R0.3 C=CCCCOCCCCCI 34a_200012148887_100000757094 [1,0,0,0,0,0|2,0,1]=4 2378 B11R0.3 C=CCCCOCCCCCI 7a_200012148887_100000757094 [1,0,0,0,0,0|2,0,1]=4 2379 B11R0.3 C=CCCCOCCCCCN 34a_100000762737_100000757094 [1,0,0,0,0,0|2,0,1]=4 2380 B11R0.3 C=CCCCOCCCCCO 34a_100000758997_100000746330 [1,0,0,0,0,0|2,0,1]=4 2381 B11R0.3 C=CCCCOCCCCCO 7a_100000758997_100000746330 [1,0,0,0,0,0|2,0,1]=4 2382 B11R0.3 C=CCCCOCCCCOC 34a_100000740925_100000757094 [1,0,0,0,0,0|2,0,1]=4 2383 B11R0.3 C=CCCCOCCCCOC 34a_100000758997_100000755781 [1,0,0,0,0,0|2,0,1]=4 2384 B11R0.3 C=CCCCOCCCCOC 7a_100000758997_100000730899 [1,0,0,0,0,0|2,0,1]=4 2385 B11R0.3 C=CCCCOCCCCSC 34a_100011217163_100000757094 [1,0,0,0,0,0|2,0,1]=4 2386 B11R0.3 C=CCCCOCCCCSC 7a_100011217163_100000757094 [1,0,0,0,0,0|2,0,1]=4 2387 B11R0.3 C=CCCCOCCCOCC 34a_100000757476_100000757094 [1,0,0,0,0,0|2,0,1]=4 2388 B11R0.3 C=CCCCOCCCOCC 34a_100000758997_100012232248 [1,0,0,0,0,0|2,0,1]=4 2389 B11R0.3 C=CCCCOCCCOCC 7a_100000757476_100000757094 [1,0,0,0,0,0|2,0,1]=4 2390 B11R0.3 C=CCCCOCCCOCC 7a_100000758997_100012232248 [1,0,0,0,0,0|2,0,1]=4 2391 B11R0.3 C=CCCCOCCCSCC 34a_100011216438_100000757094 [1,0,0,0,0,0|2,0,1]=4 2392 B11R0.3 C=CCCCOCCCSCC 7a_100011216438_100000757094 [1,0,0,0,0,0|2,0,1]=4 2393 B11R0.3 C=CCCCOCCOCCC 34a_100000752267_100000757094 [1,0,0,0,0,0|2,0,1]=4 2394 B11R0.3 C=CCCCOCCOCCC 34a_100000758997_100011215938 [1,0,0,0,0,0|2,0,1]=4 2395 B11R0.3 C=CCCCOCCOCCC 7a_100000752267_100000757094 [1,0,0,0,0,0|2,0,1]=4 2396 B11R0.3 C=CCCCOCCOCCC 7a_100000758997_100011215938 [1,0,0,0,0,0|2,0,1]=4 2397 B11R0.3 C=CCCCOCCSCCC 34a_200000230433_100000757094 [1,0,0,0,0,0|2,0,1]=4 2398 B11R0.3 C=CCCCOCCSCCC 7a_200000230433_100000757094 [1,0,0,0,0,0|2,0,1]=4 2399 B11R0.3 C=CCCCOCOCCCC 34a_100000758997_100011995733 [1,0,0,0,0,0|2,0,1]=4 2400 B11R0.3 C=CCCCSCCCCC=O 62a_100000139335_100000757094 [1,0,0,0,0,0|1,0,2]=4 2401 B11R0.3 C=CCCCSCCCCC=O 62a_100011713584_100000139335 [1,0,0,0,0,0|1,0,2]=4 2402 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [1,0,0,0,0,0|1,0,1]=3 2403 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [1,0,0,0,0,0|1,0,1]=3 2404 B11R0.3 C=CCCCSCCCCCF 62a_100000729378_100000757094 [1,0,0,0,0,0|2,0,1]=4 2405 B11R0.3 C=CCCCSCCCCCF 62a_100011713584_100000729378 [1,0,0,0,0,0|2,0,1]=4 2406 B11R0.3 C=CCCCSCCCCCO 62a_100000746330_100000757094 [1,0,0,0,0,0|2,0,1]=4 2407 B11R0.3 C=CCCCSCCCCCO 62a_100011713584_100000746330 [1,0,0,0,0,0|2,0,1]=4 2408 B11R0.3 C=CCCCSCCCCOC 62a_100000730899_100000757094 [1,0,0,0,0,0|2,0,1]=4 2409 B11R0.3 C=CCCCSCCCCOC 62a_100011713584_100000730899 [1,0,0,0,0,0|2,0,1]=4 2410 B11R0.3 C=CCCCSCCCOCC 62a_100011713584_100012232248 [1,0,0,0,0,0|2,0,1]=4 2411 B11R0.3 C=CCCCSCCCOCC 62a_100012232248_100000757094 [1,0,0,0,0,0|2,0,1]=4 2412 B11R0.3 C=CCCCSCCOCCC 62a_100011215938_100000757094 [1,0,0,0,0,0|2,0,1]=4 2413 B11R0.3 C=CCCCSCCOCCC 62a_100011713584_100011215938 [1,0,0,0,0,0|2,0,1]=4 2414 B11R0.3 C=CCCCSCOCCCC 62a_100011713584_100011995733 [1,0,0,0,0,0|2,0,1]=4 2415 B11R0.3 C=CCCCSCOCCCC 62a_100011995733_100000757094 [1,0,0,0,0,0|2,0,1]=4 2416 B11R0.3 C=CCCNCCCCCC=O 2230a_100015191253_100000139337 [1,0,0,0,0,0|1,0,2]=4 2417 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [1,0,0,0,0,0|1,0,1]=3 2418 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [1,0,0,0,0,0|1,0,1]=3 2419 B11R0.3 C=CCCNCCCCCCF 2230a_100015191253_100015922095 [1,0,0,0,0,0|2,0,1]=4 2420 B11R0.3 C=CCCNCCCCCCO 2230a_100000686447_100000754431 [1,0,0,0,0,0|2,0,1]=4 2421 B11R0.3 C=CCCNCCCCCCO 2230a_100015191253_100000766143 [1,0,0,0,0,0|2,0,1]=4 2422 B11R0.3 C=CCCNCCCCCCO 34a_100000686447_100000754431 [1,0,0,0,0,0|2,0,1]=4 2423 B11R0.3 C=CCCNCCCCCOC 2230a_100000747528_100000754431 [1,0,0,0,0,0|2,0,1]=4 2424 B11R0.3 C=CCCNCCCCCOC 34a_100000747528_100000754431 [1,0,0,0,0,0|2,0,1]=4 2425 B11R0.3 C=CCCNCCCOCCC 2230a_100011217757_100000754431 [1,0,0,0,0,0|2,0,1]=4 2426 B11R0.3 C=CCCNCCCOCCC 34a_100011217757_100000754431 [1,0,0,0,0,0|2,0,1]=4 2427 B11R0.3 C=CCCNCCOCCCC 2230a_100015191253_100000743108 [1,0,0,0,0,0|2,0,1]=4 2428 B11R0.3 C=CCCNCCSCCCC 2230a_100025743550_100000754431 [1,0,0,0,0,0|2,0,1]=4 2429 B11R0.3 C=CCCOCCCCCCBr 34a_100011215345_100000754431 [1,0,0,0,0,0|2,0,1]=4 2430 B11R0.3 C=CCCOCCCCCCBr 7a_100011215345_100000754431 [1,0,0,0,0,0|2,0,1]=4 2431 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [1,0,0,0,0,0|1,0,1]=3 2432 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [1,0,0,0,0,0|1,0,1]=3 2433 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [1,0,0,0,0,0|1,0,1]=3 2434 B11R0.3 C=CCCOCCCCCCCl 34a_100000766143_100000754431 [1,0,0,0,0,0|2,0,1]=4 2435 B11R0.3 C=CCCOCCCCCCCl 7a_100000766143_100000754431 [1,0,0,0,0,0|2,0,1]=4 2436 B11R0.3 C=CCCOCCCCCCF 34a_100000732779_100000754431 [1,0,0,0,0,0|2,0,1]=4 2437 B11R0.3 C=CCCOCCCCCCF 34a_100011205117_100015922095 [1,0,0,0,0,0|2,0,1]=4 2438 B11R0.3 C=CCCOCCCCCCF 7a_100000732779_100000754431 [1,0,0,0,0,0|2,0,1]=4 2439 B11R0.3 C=CCCOCCCCCCN 34a_100000686447_100000754431 [1,0,0,0,0,0|2,0,1]=4 2440 B11R0.3 C=CCCOCCCCCCO 34a_100011205117_100000766143 [1,0,0,0,0,0|2,0,1]=4 2441 B11R0.3 C=CCCOCCCCCNC 34a_100000722520_100000754431 [1,0,0,0,0,0|2,0,1]=4 2442 B11R0.3 C=CCCOCCOCCCC 34a_100000210238_100000754431 [1,0,0,0,0,0|2,0,1]=4 2443 B11R0.3 C=CCCOCCOCCCC 34a_100011205117_100000743108 [1,0,0,0,0,0|2,0,1]=4 2444 B11R0.3 C=CCCOCCOCCCC 7a_100000210238_100000754431 [1,0,0,0,0,0|2,0,1]=4 2445 B11R0.3 C=CCCOCCSCCCC 34a_200000230436_100000754431 [1,0,0,0,0,0|2,0,1]=4 2446 B11R0.3 C=CCCOCCSCCCC 7a_200000230436_100000754431 [1,0,0,0,0,0|2,0,1]=4 2447 B11R0.3 C=CCCSCCCCCC=O 62a_100000139337_100000754431 [1,0,0,0,0,0|1,0,2]=4 2448 B11R0.3 C=CCCSCCCCCC=O 62a_100000754431_100000139337 [1,0,0,0,0,0|1,0,2]=4 2449 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [1,0,0,0,0,0|1,0,1]=3 2450 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [1,0,0,0,0,0|1,0,1]=3 2451 B11R0.3 C=CCCSCCCCCCF 62a_100000754431_100015922095 [1,0,0,0,0,0|2,0,1]=4 2452 B11R0.3 C=CCCSCCCCCCF 62a_100015922095_100000754431 [1,0,0,0,0,0|2,0,1]=4 2453 B11R0.3 C=CCCSCCCCCCO 62a_100000754431_100000766143 [1,0,0,0,0,0|2,0,1]=4 2454 B11R0.3 C=CCCSCCCCCCO 62a_100000766143_100000754431 [1,0,0,0,0,0|2,0,1]=4 2455 B11R0.3 C=CCCSCCOCCCC 62a_100000743108_100000754431 [1,0,0,0,0,0|2,0,1]=4 2456 B11R0.3 C=CCCSCCOCCCC 62a_100000754431_100000743108 [1,0,0,0,0,0|2,0,1]=4 2457 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [1,0,0,0,0,0|1,0,1]=3 2458 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [1,0,0,0,0,0|1,0,1]=3 2459 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [1,0,0,0,0,0|1,0,1]=3 2460 B11R0.3 C=CCNCCCCCCCO 2230a_100011996573_100000210623 [1,0,0,0,0,0|2,0,1]=4 2461 B11R0.3 C=CCNCCCCCCCO 2230a_100020586998_100000760002 [1,0,0,0,0,0|2,0,1]=4 2462 B11R0.3 C=CCNCCCCCCCO 34a_100011996573_100015514636 [1,0,0,0,0,0|2,0,1]=4 2463 B11R0.3 C=CCNCCCCCCOC 2230a_100020586998_100011998445 [1,0,0,0,0,0|2,0,1]=4 2464 B11R0.3 C=CCNCCCOCCCC 2230a_200000211371_100000210623 [1,0,0,0,0,0|2,0,1]=4 2465 B11R0.3 C=CCNCCCOCCCC 34a_200000211371_100015514636 [1,0,0,0,0,0|2,0,1]=4 2466 B11R0.3 C=CCOCCCCCCCBr 34a_100000760002_100015514636 [1,0,0,0,0,0|2,0,1]=4 2467 B11R0.3 C=CCOCCCCCCCBr 7a_100000760002_100015514636 [1,0,0,0,0,0|2,0,1]=4 2468 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [1,0,0,0,0,0|1,0,1]=3 2469 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [1,0,0,0,0,0|1,0,1]=3 2470 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [1,0,0,0,0,0|1,0,1]=3 2471 B11R0.3 C=CCOCCCCCCCN 34a_100011996573_100015514636 [1,0,0,0,0,0|2,0,1]=4 2472 B11R0.3 C=CCOCCCCCCCO 34a_200000210373_100000760002 [1,0,0,0,0,0|2,0,1]=4 2473 B11R0.3 C=CCOCCCCCCOC 34a_200000210373_100011998445 [1,0,0,0,0,0|2,0,1]=4 2474 B11R0.3 C=CCOCCCCCCOC 34a_200012092642_100015514636 [1,0,0,0,0,0|2,0,1]=4 2475 B11R0.3 C=CCOCCCCCCOC 7a_200012092642_100015514636 [1,0,0,0,0,0|2,0,1]=4 2476 B11R0.3 C=CCOCCCOCCCC 34a_200011215613_100015514636 [1,0,0,0,0,0|2,0,1]=4 2477 B11R0.3 C=CCOCCCOCCCC 7a_200011215613_100015514636 [1,0,0,0,0,0|2,0,1]=4 2478 B11R0.3 C=CCOCCNCCCCC 34a_100000224656_100015514636 [1,0,0,0,0,0|2,0,1]=4 2479 B11R0.3 C=CCOCCOCCCCC 34a_100000037705_100000718602 [1,0,0,0,0,0|2,0,1]=4 2480 B11R0.3 C=CCOCCOCCCCC 34a_100011215259_100015514636 [1,0,0,0,0,0|2,0,1]=4 2481 B11R0.3 C=CCOCCOCCCCC 7a_100000037705_100000210326 [1,0,0,0,0,0|2,0,1]=4 2482 B11R0.3 C=CCOCCOCCCCC 7a_100011215259_100015514636 [1,0,0,0,0,0|2,0,1]=4 2483 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [1,0,0,0,0,0|1,0,1]=3 2484 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [1,0,0,0,0,0|1,0,1]=3 2485 B11R0.3 C=CCSCCCCCCCO 62a_100000210623_100000760002 [1,0,0,0,0,0|2,0,1]=4 2486 B11R0.3 C=CCSCCCCCCCO 62a_100000760002_100000210623 [1,0,0,0,0,0|2,0,1]=4 2487 B11R0.3 C=CCSCCCCCCOC 62a_100000210623_100011998445 [1,0,0,0,0,0|2,0,1]=4 2488 B11R0.3 C=CCSCCCCCCOC 62a_100011998445_100000210623 [1,0,0,0,0,0|2,0,1]=4 2489 B11R0.3 C=COCCCCOCCCC 34a_100000031558_100000210210 [1,0,0,0,0,0|2,0,1]=4 2490 B11R0.3 C=COCCCCOCCCC 7a_100000031558_100000210211 [1,0,0,0,0,0|2,0,1]=4 2491 B11R0.3 C=COCCCNCCCCC 2230a_100000210767_100000210326 [1,0,0,0,0,0|2,0,1]=4 2492 B11R0.3 C=COCCCNCCCCC 34a_100000210767_100000718602 [1,0,0,0,0,0|2,0,1]=4 2493 B11R0.3 C=COCCNCCCCCC 2230a_100000210581_100000039644 [1,0,0,0,0,0|2,0,1]=4 2494 B11R0.3 C=COCCOCCCCCC 34a_100000033082_100000210314 [1,0,0,0,0,0|2,0,1]=4 2495 B11R0.3 C=COCCOCCCCCC 34a_100000210259_100000039644 [1,0,0,0,0,0|2,0,1]=4 2496 B11R0.3 C=COCCOCCCCCC 7a_100000210259_100000039644 [1,0,0,0,0,0|2,0,1]=4 2497 B11R0.3 C=COCCSCCCCCC 62a_100000039644_100000210757 [1,0,0,0,0,0|2,0,1]=4 2498 B11R0.3 C=COCCSCCCCCC 62a_100000210314_100000039644 [1,0,0,0,0,0|2,0,1]=4 2499 B11R0.3 CC#CCNCCCCCC=O 2230a_100000685387_100000139337 [1,0,0,0,0,0|1,0,2]=4 2500 B11R0.3 CC#CCSCCCCCC=O 62a_100000139337_100000748600 [1,0,0,0,0,0|1,0,2]=4 2501 B11R0.3 CC#CCSCCCCCC=O 62a_100000748600_100000139337 [1,0,0,0,0,0|1,0,2]=4 2502 B11R0.3 CC/C=C\CCCCOCC=O 34a_100016287862_200009817547 [1,0,0,0,0,0|1,0,2]=4 2503 B11R0.3 CC/C=C\CCCCOCC=O 7a_100016287862_200015260668 [1,0,0,0,0,0|1,0,2]=4 2504 B11R0.3 CC/C=C\CCOCCCC=O 7a_100016288707_200011292268 [1,0,0,0,0,0|1,0,2]=4 2505 B11R0.3 CC/C=C\CCSCCCC=O 62a_100015370543_200011292268 [1,0,0,0,0,0|1,0,2]=4 2506 B11R0.3 CC/C=C\CCSCCCC=O 62a_200011292268_100015370543 [1,0,0,0,0,0|1,0,2]=4 2507 B11R0.3 CC/C=C\CSCCCCC=O 62a_100000139335_100103147603 [1,0,0,0,0,0|1,0,2]=4 2508 B11R0.3 CC/C=C\CSCCCCC=O 62a_100103147603_100000139335 [1,0,0,0,0,0|1,0,2]=4 2509 B11R0.3 CC=CCCCOCCCCC 34a_100020645299_100000718602 [1,0,0,0,0,0|2,0,1]=4 2510 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [1,0,0,0,0,0|2,0,1]=4 2511 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [1,0,0,0,0,0|2,0,1]=4 2512 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [1,0,0,0,0,0|2,0,1]=4 2513 B11R0.3 CC=CCSCCCCCC=O 62a_100000070051_100000139337 [1,0,0,0,0,0|1,0,2]=4 2514 B11R0.3 CC=CCSCCCCCC=O 62a_100000139337_100000070051 [1,0,0,0,0,0|1,0,2]=4 2515 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [1,0,0,0,0,0|2,0,1]=4 2516 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [1,0,0,0,0,0|2,0,1]=4 2517 B11R0.3 CCC#CCCOCCCC=O 7a_100000036655_200011292268 [1,0,0,0,0,0|1,0,2]=4 2518 B11R0.3 CCC#CCSCCCCC=O 62a_100000139335_100009813939 [1,0,0,0,0,0|1,0,2]=4 2519 B11R0.3 CCC#CCSCCCCC=O 62a_100009813939_100000139335 [1,0,0,0,0,0|1,0,2]=4 2520 B11R0.3 CCC/C=C/COCCCC=O 7a_100016278788_200011292268 [1,0,0,0,0,0|1,0,2]=4 2521 B11R0.3 CCCC#CCOCCCC=O 7a_100000034806_200011292268 [1,0,0,0,0,0|1,0,2]=4 2522 B11R0.3 CCCC/C=C\CCOCC=O 34a_200016286491_200009817547 [1,0,0,0,0,0|1,0,2]=4 2523 B11R0.3 CCCC/C=C\CCOCC=O 7a_200016286491_200015260668 [1,0,0,0,0,0|1,0,2]=4 2524 B11R0.3 CCCCC#CCCOCC=O 34a_100000037610_200009817547 [1,0,0,0,0,0|1,0,2]=4 2525 B11R0.3 CCCCC#CCCOCC=O 7a_100000037610_200015260668 [1,0,0,0,0,0|1,0,2]=4 2526 B11R0.3 CCCCC/C=C/COCC=O 34a_100016258190_200009817547 [1,0,0,0,0,0|1,0,2]=4 2527 B11R0.3 CCCCC/C=C/COCC=O 7a_100016258190_200015260668 [1,0,0,0,0,0|1,0,2]=4 2528 B11R0.3 CCCCCC#CCOCC=O 34a_200000033628_200009817547 [1,0,0,0,0,0|1,0,2]=4 2529 B11R0.3 CCCCCC#CCOCC=O 7a_200000033628_200015260668 [1,0,0,0,0,0|1,0,2]=4 2530 B11R0.3 CCCCCC#CCSCC=O 62a_100009816472_200015260668 [1,0,0,0,0,0|1,0,2]=4 2531 B11R0.3 CCCCCC#CCSCC=O 62a_200015260668_100009816472 [1,0,0,0,0,0|1,0,2]=4 2532 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [1,0,0,0,0,0|1,0,1]=3 2533 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [1,0,0,0,0,0|1,0,1]=3 2534 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [1,0,0,0,0,0|1,0,1]=3 2535 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [1,0,0,0,0,0|1,0,1]=3 2536 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [1,0,0,0,0,0|1,0,1]=3 2537 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [1,0,0,0,0,0|1,0,1]=3 2538 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [1,0,0,0,0,0|1,0,1]=3 2539 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [1,0,0,0,0,0|1,0,1]=3 2540 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [1,0,0,0,0,0|1,0,1]=3 2541 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [1,0,0,0,0,0|1,0,1]=3 2542 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [1,0,0,0,0,0|1,0,1]=3 2543 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [1,0,0,0,0,0|1,0,1]=3 2544 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [1,0,0,0,0,0|1,0,1]=3 2545 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [1,0,0,0,0,0|1,0,1]=3 2546 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [1,0,0,0,0,0|1,0,1]=3 2547 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [1,0,0,0,0,0|1,0,1]=3 2548 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [1,0,0,0,0,0|1,0,1]=3 2549 B11R0.3 CCCCCCCCCNCF 34a_100000212291_100015361967 [1,0,0,0,0,0|2,0,0]=3 2550 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [1,0,0,0,0,0|1,0,1]=3 2551 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [1,0,0,0,0,0|1,0,1]=3 2552 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [1,0,0,0,0,0|1,0,1]=3 2553 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [1,0,0,0,0,0|2,0,0]=3 2554 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [1,0,0,0,0,0|2,0,0]=3 2555 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [1,0,0,0,0,0|1,0,1]=3 2556 B11R0.3 CCCCCCCCCSCF 62a_100015361967_100000210670 [1,0,0,0,0,0|2,0,0]=3 2557 B11R0.3 CCCCCCCCNCC#N 2230a_100000229939_100011215382 [1,0,0,0,0,0|2,0,1]=4 2558 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [1,0,0,0,0,0|1,0,0]=2 2559 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [1,0,0,0,0,0|1,0,0]=2 2560 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [1,0,0,0,0,0|1,0,1]=3 2561 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [1,0,0,0,0,0|1,0,1]=3 2562 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [1,0,0,0,0,0|2,0,0]=3 2563 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [1,0,0,0,0,0|2,0,0]=3 2564 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [1,0,0,0,0,0|2,0,0]=3 2565 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [1,0,0,0,0,0|1,0,1]=3 2566 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [1,0,0,0,0,0|1,0,1]=3 2567 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [1,0,0,0,0,0|1,0,1]=3 2568 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [1,0,0,0,0,0|1,0,1]=3 2569 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [1,0,0,0,0,0|2,0,1]=4 2570 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [1,0,0,0,0,0|2,0,1]=4 2571 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [1,0,0,0,0,0|2,0,1]=4 2572 B11R0.3 CCCCCCCCOCC#N 7a_100000210232_100011215382 [1,0,0,0,0,0|2,0,1]=4 2573 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [1,0,0,0,0,0|1,0,0]=2 2574 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [1,0,0,0,0,0|1,0,0]=2 2575 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [1,0,0,0,0,0|2,0,0]=3 2576 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [1,0,0,0,0,0|1,0,1]=3 2577 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [1,0,0,0,0,0|1,0,1]=3 2578 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [1,0,0,0,0,0|1,0,1]=3 2579 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [1,0,0,0,0,0|2,0,0]=3 2580 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [1,0,0,0,0,0|2,0,0]=3 2581 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [1,0,0,0,0,0|2,0,0]=3 2582 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [1,0,0,0,0,0|1,0,1]=3 2583 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [1,0,0,0,0,0|1,0,1]=3 2584 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [1,0,0,0,0,0|2,0,1]=4 2585 B11R0.3 CCCCCCCCSCC#N 62a_100000210759_100011215382 [1,0,0,0,0,0|2,0,1]=4 2586 B11R0.3 CCCCCCCCSCC#N 62a_100011215382_100000210317 [1,0,0,0,0,0|2,0,1]=4 2587 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [1,0,0,0,0,0|1,0,0]=2 2588 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [1,0,0,0,0,0|1,0,0]=2 2589 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [1,0,0,0,0,0|1,0,1]=3 2590 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [1,0,0,0,0,0|1,0,1]=3 2591 B11R0.3 CCCCCCCCSCCF 62a_100000210759_100011217306 [1,0,0,0,0,0|2,0,0]=3 2592 B11R0.3 CCCCCCCCSCCF 62a_100011217306_100000210317 [1,0,0,0,0,0|2,0,0]=3 2593 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [1,0,0,0,0,0|1,0,1]=3 2594 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [1,0,0,0,0,0|1,0,1]=3 2595 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [1,0,0,0,0,0|2,0,1]=4 2596 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [1,0,0,0,0,0|2,0,1]=4 2597 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [1,0,0,0,0,0|2,0,1]=4 2598 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [1,0,0,0,0,0|2,0,1]=4 2599 B11R0.3 CCCCCCCNCCC#N 2230a_100000229938_100011215226 [1,0,0,0,0,0|2,0,1]=4 2600 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [1,0,0,0,0,0|1,0,1]=3 2601 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [1,0,0,0,0,0|1,0,1]=3 2602 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [1,0,0,0,0,0|1,0,1]=3 2603 B11R0.3 CCCCCCCNCCCF 2230a_100000229938_100011934791 [1,0,0,0,0,0|2,0,0]=3 2604 B11R0.3 CCCCCCCNCCCF 2230a_100015189416_100000210681 [1,0,0,0,0,0|2,0,0]=3 2605 B11R0.3 CCCCCCCNCCCF 34a_100015189416_100000210614 [1,0,0,0,0,0|2,0,0]=3 2606 B11R0.3 CCCCCCCNCCCO 2230a_100000229938_100000230001 [1,0,0,0,0,0|1,0,1]=3 2607 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [1,0,0,0,0,0|2,0,1]=4 2608 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [1,0,0,0,0,0|2,0,1]=4 2609 B11R0.3 CCCCCCCNCCSC 2230a_100000229938_100000751147 [1,0,0,0,0,0|2,0,1]=4 2610 B11R0.3 CCCCCCCNCCSC 2230a_100020590264_100000210681 [1,0,0,0,0,0|2,0,1]=4 2611 B11R0.3 CCCCCCCOCCC#N 7a_100000210272_100000184422 [1,0,0,0,0,0|2,0,1]=4 2612 B11R0.3 CCCCCCCOCCCBr 34a_100011217188_100000210614 [1,0,0,0,0,0|2,0,0]=3 2613 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [1,0,0,0,0,0|1,0,1]=3 2614 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [1,0,0,0,0,0|1,0,1]=3 2615 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [1,0,0,0,0,0|1,0,1]=3 2616 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [1,0,0,0,0,0|1,0,1]=3 2617 B11R0.3 CCCCCCCOCCCCl 34a_100000230001_100000210614 [1,0,0,0,0,0|2,0,0]=3 2618 B11R0.3 CCCCCCCOCCCF 34a_100000210272_100011934791 [1,0,0,0,0,0|2,0,0]=3 2619 B11R0.3 CCCCCCCOCCCF 34a_100000759539_100000210614 [1,0,0,0,0,0|2,0,0]=3 2620 B11R0.3 CCCCCCCOCCCF 7a_100000210272_100011934791 [1,0,0,0,0,0|2,0,0]=3 2621 B11R0.3 CCCCCCCOCCCN 34a_100000182051_100000210614 [1,0,0,0,0,0|2,0,0]=3 2622 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [1,0,0,0,0,0|1,0,1]=3 2623 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [1,0,0,0,0,0|1,0,1]=3 2624 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [1,0,0,0,0,0|2,0,1]=4 2625 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [1,0,0,0,0,0|2,0,1]=4 2626 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [1,0,0,0,0,0|2,0,1]=4 2627 B11R0.3 CCCCCCCOCCON 34a_100000700252_100000210614 [1,0,0,0,0,0|3,0,0]=4 2628 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [1,0,0,0,0,0|2,0,1]=4 2629 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [1,0,0,0,0,0|2,0,1]=4 2630 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [1,0,0,0,0,0|2,0,1]=4 2631 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [1,0,0,0,0,0|2,0,1]=4 2632 B11R0.3 CCCCCCCSCCC#N 62a_100000210614_100011215226 [1,0,0,0,0,0|2,0,1]=4 2633 B11R0.3 CCCCCCCSCCC#N 62a_100011215226_100000210316 [1,0,0,0,0,0|2,0,1]=4 2634 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [1,0,0,0,0,0|1,0,1]=3 2635 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [1,0,0,0,0,0|1,0,1]=3 2636 B11R0.3 CCCCCCCSCCCF 62a_100000210614_100011934791 [1,0,0,0,0,0|2,0,0]=3 2637 B11R0.3 CCCCCCCSCCCF 62a_100011934791_100000210316 [1,0,0,0,0,0|2,0,0]=3 2638 B11R0.3 CCCCCCCSCCCO 62a_100000210614_100011215043 [1,0,0,0,0,0|1,0,1]=3 2639 B11R0.3 CCCCCCCSCCCO 62a_100011215043_100000210316 [1,0,0,0,0,0|1,0,1]=3 2640 B11R0.3 CCCCCCCSCCOC 62a_100000210614_100000233755 [1,0,0,0,0,0|2,0,1]=4 2641 B11R0.3 CCCCCCCSCCOC 62a_100000233755_100000210316 [1,0,0,0,0,0|2,0,1]=4 2642 B11R0.3 CCCCCCCSCCSC 62a_100000210614_100000751147 [1,0,0,0,0,0|2,0,1]=4 2643 B11R0.3 CCCCCCCSCCSC 62a_100000212216_100000210316 [1,0,0,0,0,0|2,0,1]=4 2644 B11R0.3 CCCCCCCSCOCC 62a_100000210614_100000739092 [1,0,0,0,0,0|2,0,1]=4 2645 B11R0.3 CCCCCCCSCOCC 62a_100000739092_100000210316 [1,0,0,0,0,0|2,0,1]=4 2646 B11R0.3 CCCCCCNCCCC#N 2230a_100000210581_100000687738 [1,0,0,0,0,0|2,0,1]=4 2647 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [1,0,0,0,0,0|1,0,0]=2 2648 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [1,0,0,0,0,0|1,0,1]=3 2649 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [1,0,0,0,0,0|1,0,1]=3 2650 B11R0.3 CCCCCCNCCCCF 2230a_100000210581_100000729493 [1,0,0,0,0,0|2,0,0]=3 2651 B11R0.3 CCCCCCNCCCCO 2230a_100000210581_100000210776 [1,0,0,0,0,0|1,0,1]=3 2652 B11R0.3 CCCCCCNCCCCO 2230a_100000750430_100000210314 [1,0,0,0,0,0|1,0,1]=3 2653 B11R0.3 CCCCCCNCCCCO 34a_100000750430_100000210314 [1,0,0,0,0,0|1,0,1]=3 2654 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [1,0,0,0,0,0|2,0,1]=4 2655 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [1,0,0,0,0,0|2,0,1]=4 2656 B11R0.3 CCCCCCNCCCSC 2230a_100000749238_100000210314 [1,0,0,0,0,0|2,0,1]=4 2657 B11R0.3 CCCCCCNCCOCC 2230a_100000210581_100011215890 [1,0,0,0,0,0|2,0,1]=4 2658 B11R0.3 CCCCCCNCCOCC 2230a_102516460346_100000210314 [1,0,0,0,0,0|2,0,1]=4 2659 B11R0.3 CCCCCCNCCOCC 34a_102516460346_100000210314 [1,0,0,0,0,0|2,0,1]=4 2660 B11R0.3 CCCCCCNCCSCC 2230a_100000106463_100000210314 [1,0,0,0,0,0|2,0,1]=4 2661 B11R0.3 CCCCCCNCCSCC 2230a_100000210581_100000757381 [1,0,0,0,0,0|2,0,1]=4 2662 B11R0.3 CCCCCCOCCCC#N 7a_100000210259_100000687738 [1,0,0,0,0,0|2,0,1]=4 2663 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [1,0,0,0,0,0|1,0,0]=2 2664 B11R0.3 CCCCCCOCCCCBr 34a_100011216708_100000210314 [1,0,0,0,0,0|2,0,0]=3 2665 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [1,0,0,0,0,0|1,0,1]=3 2666 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [1,0,0,0,0,0|1,0,1]=3 2667 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [1,0,0,0,0,0|1,0,1]=3 2668 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [1,0,0,0,0,0|1,0,1]=3 2669 B11R0.3 CCCCCCOCCCCCl 34a_100000210776_100000210314 [1,0,0,0,0,0|2,0,0]=3 2670 B11R0.3 CCCCCCOCCCCCl 7a_100000210776_100000210314 [1,0,0,0,0,0|2,0,0]=3 2671 B11R0.3 CCCCCCOCCCCF 34a_100000210259_100000729493 [1,0,0,0,0,0|2,0,0]=3 2672 B11R0.3 CCCCCCOCCCCF 34a_100011995726_100000210314 [1,0,0,0,0,0|2,0,0]=3 2673 B11R0.3 CCCCCCOCCCCF 7a_100000210259_100000729493 [1,0,0,0,0,0|2,0,0]=3 2674 B11R0.3 CCCCCCOCCCCF 7a_100011995726_100000210314 [1,0,0,0,0,0|2,0,0]=3 2675 B11R0.3 CCCCCCOCCCCI 34a_200012148704_100000210314 [1,0,0,0,0,0|2,0,0]=3 2676 B11R0.3 CCCCCCOCCCCN 34a_100000750430_100000210314 [1,0,0,0,0,0|2,0,0]=3 2677 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [1,0,0,0,0,0|1,0,1]=3 2678 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [1,0,0,0,0,0|1,0,1]=3 2679 B11R0.3 CCCCCCOCCCNC 34a_100000213112_100000210314 [1,0,0,0,0,0|2,0,1]=4 2680 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [1,0,0,0,0,0|2,0,1]=4 2681 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [1,0,0,0,0,0|2,0,1]=4 2682 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [1,0,0,0,0,0|2,0,1]=4 2683 B11R0.3 CCCCCCOCCCSC 34a_100000690336_100000210314 [1,0,0,0,0,0|2,0,1]=4 2684 B11R0.3 CCCCCCOCCCSC 7a_100000690336_100000210314 [1,0,0,0,0,0|2,0,1]=4 2685 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [1,0,0,0,0,0|2,0,1]=4 2686 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [1,0,0,0,0,0|2,0,1]=4 2687 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [1,0,0,0,0,0|2,0,1]=4 2688 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [1,0,0,0,0,0|2,0,1]=4 2689 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [1,0,0,0,0,0|2,0,1]=4 2690 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [1,0,0,0,0,0|2,0,1]=4 2691 B11R0.3 CCCCCCOCCOCF 34a_100000691444_100015361967 [1,0,0,0,0,0|3,0,0]=4 2692 B11R0.3 CCCCCCOCCOCF 7a_100000691444_100015361967 [1,0,0,0,0,0|3,0,0]=4 2693 B11R0.3 CCCCCCOCCSCC 34a_100000210259_100000757381 [1,0,0,0,0,0|2,0,1]=4 2694 B11R0.3 CCCCCCOCCSCC 34a_100000212035_100000210314 [1,0,0,0,0,0|2,0,1]=4 2695 B11R0.3 CCCCCCOCCSCC 7a_100000210259_100000757381 [1,0,0,0,0,0|2,0,1]=4 2696 B11R0.3 CCCCCCOCCSCC 7a_100000212035_100000210314 [1,0,0,0,0,0|2,0,1]=4 2697 B11R0.3 CCCCCCSCCCC#N 62a_100000210314_100000687738 [1,0,0,0,0,0|2,0,1]=4 2698 B11R0.3 CCCCCCSCCCC#N 62a_100000687738_100000210757 [1,0,0,0,0,0|2,0,1]=4 2699 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [1,0,0,0,0,0|1,0,0]=2 2700 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [1,0,0,0,0,0|1,0,0]=2 2701 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [1,0,0,0,0,0|1,0,1]=3 2702 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [1,0,0,0,0,0|1,0,1]=3 2703 B11R0.3 CCCCCCSCCCCF 62a_100000210314_100000729493 [1,0,0,0,0,0|2,0,0]=3 2704 B11R0.3 CCCCCCSCCCCF 62a_100000729493_100000210757 [1,0,0,0,0,0|2,0,0]=3 2705 B11R0.3 CCCCCCSCCCCO 62a_100000210314_100000210776 [1,0,0,0,0,0|1,0,1]=3 2706 B11R0.3 CCCCCCSCCCCO 62a_100000210776_100000210757 [1,0,0,0,0,0|1,0,1]=3 2707 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [1,0,0,0,0,0|2,0,1]=4 2708 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [1,0,0,0,0,0|2,0,1]=4 2709 B11R0.3 CCCCCCSCCOCC 62a_100000210147_100000210757 [1,0,0,0,0,0|2,0,1]=4 2710 B11R0.3 CCCCCCSCCOCC 62a_100000210314_100011215890 [1,0,0,0,0,0|2,0,1]=4 2711 B11R0.3 CCCCCCSCCSCC 62a_100000210314_100000757381 [1,0,0,0,0,0|2,0,1]=4 2712 B11R0.3 CCCCCCSCCSCC 62a_100000757381_100000210757 [1,0,0,0,0,0|2,0,1]=4 2713 B11R0.3 CCCCCNCCCCC#N 2230a_100000209983_100000211819 [1,0,0,0,0,0|2,0,1]=4 2714 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [1,0,0,0,0,0|1,0,0]=2 2715 B11R0.3 CCCCCNCCCCCF 2230a_100000209983_100000729378 [1,0,0,0,0,0|2,0,0]=3 2716 B11R0.3 CCCCCNCCCCCO 2230a_100000209983_100000746330 [1,0,0,0,0,0|1,0,1]=3 2717 B11R0.3 CCCCCNCCCCCO 2230a_100000762737_100000210326 [1,0,0,0,0,0|1,0,1]=3 2718 B11R0.3 CCCCCNCCCCCO 34a_100000762737_100000718602 [1,0,0,0,0,0|1,0,1]=3 2719 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [1,0,0,0,0,0|2,0,1]=4 2720 B11R0.3 CCCCCNCCCOCC 2230a_100000209983_100012232248 [1,0,0,0,0,0|2,0,1]=4 2721 B11R0.3 CCCCCNCCCOCC 2230a_100000210961_100000210326 [1,0,0,0,0,0|2,0,1]=4 2722 B11R0.3 CCCCCNCCCOCC 34a_100000210961_100000718602 [1,0,0,0,0,0|2,0,1]=4 2723 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [1,0,0,0,0,0|2,0,0]=3 2724 B11R0.3 CCCCCNCCOCCC 2230a_100000209983_100011215938 [1,0,0,0,0,0|2,0,1]=4 2725 B11R0.3 CCCCCNCCOCCC 2230a_100161115042_100000210326 [1,0,0,0,0,0|2,0,1]=4 2726 B11R0.3 CCCCCNCCOCCC 34a_100000224656_100000210303 [1,0,0,0,0,0|2,0,1]=4 2727 B11R0.3 CCCCCNCCOCCC 34a_100161115042_100000718602 [1,0,0,0,0,0|2,0,1]=4 2728 B11R0.3 CCCCCNCCOCCF 34a_100000224656_100011217306 [1,0,0,0,0,0|3,0,0]=4 2729 B11R0.3 CCCCCNCCOCCO 2230a_100000209983_100011215305 [1,0,0,0,0,0|2,0,1]=4 2730 B11R0.3 CCCCCNCCOCCO 2230a_100000211614_100000210326 [1,0,0,0,0,0|2,0,1]=4 2731 B11R0.3 CCCCCNCCOCCO 34a_100000211614_100000718602 [1,0,0,0,0,0|2,0,1]=4 2732 B11R0.3 CCCCCNCCOCCO 34a_100000224656_100000211926 [1,0,0,0,0,0|2,0,1]=4 2733 B11R0.3 CCCCCNCCSCCC 2230a_100020603323_100000210326 [1,0,0,0,0,0|2,0,1]=4 2734 B11R0.3 CCCCCNCCSCCO 2230a_100011219999_100000210326 [1,0,0,0,0,0|2,0,1]=4 2735 B11R0.3 CCCCCNCOCCCC 2230a_100000209983_100011995733 [1,0,0,0,0,0|2,0,1]=4 2736 B11R0.3 CCCCCOCCCCC#N 7a_100000210253_100000211819 [1,0,0,0,0,0|2,0,1]=4 2737 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [1,0,0,0,0,0|1,0,0]=2 2738 B11R0.3 CCCCCOCCCCCBr 34a_100000746331_100000718602 [1,0,0,0,0,0|2,0,0]=3 2739 B11R0.3 CCCCCOCCCCCBr 7a_100000746331_100000210326 [1,0,0,0,0,0|2,0,0]=3 2740 B11R0.3 CCCCCOCCCCCCl 34a_100000746330_100000718602 [1,0,0,0,0,0|2,0,0]=3 2741 B11R0.3 CCCCCOCCCCCCl 7a_100000746330_100000210326 [1,0,0,0,0,0|2,0,0]=3 2742 B11R0.3 CCCCCOCCCCCF 34a_100000210253_100000729378 [1,0,0,0,0,0|2,0,0]=3 2743 B11R0.3 CCCCCOCCCCCF 7a_100000210253_100000729378 [1,0,0,0,0,0|2,0,0]=3 2744 B11R0.3 CCCCCOCCCCCI 34a_200012148887_100000718602 [1,0,0,0,0,0|2,0,0]=3 2745 B11R0.3 CCCCCOCCCCCI 7a_200012148887_100000210326 [1,0,0,0,0,0|2,0,0]=3 2746 B11R0.3 CCCCCOCCCCCN 34a_100000762737_100000718602 [1,0,0,0,0,0|2,0,0]=3 2747 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [1,0,0,0,0,0|1,0,1]=3 2748 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [1,0,0,0,0,0|1,0,1]=3 2749 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [1,0,0,0,0,0|2,0,1]=4 2750 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [1,0,0,0,0,0|2,0,1]=4 2751 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [1,0,0,0,0,0|2,0,1]=4 2752 B11R0.3 CCCCCOCCCCSC 34a_100011217163_100000718602 [1,0,0,0,0,0|2,0,1]=4 2753 B11R0.3 CCCCCOCCCCSC 7a_100011217163_100000210326 [1,0,0,0,0,0|2,0,1]=4 2754 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [1,0,0,0,0,0|2,0,1]=4 2755 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [1,0,0,0,0,0|2,0,1]=4 2756 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [1,0,0,0,0,0|2,0,1]=4 2757 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [1,0,0,0,0,0|2,0,1]=4 2758 B11R0.3 CCCCCOCCCSCC 34a_100011216438_100000718602 [1,0,0,0,0,0|2,0,1]=4 2759 B11R0.3 CCCCCOCCCSCC 7a_100011216438_100000210326 [1,0,0,0,0,0|2,0,1]=4 2760 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [1,0,0,0,0,0|2,0,0]=3 2761 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [1,0,0,0,0,0|2,0,0]=3 2762 B11R0.3 CCCCCOCCOCCBr 34a_100000692535_100000718602 [1,0,0,0,0,0|3,0,0]=4 2763 B11R0.3 CCCCCOCCOCCBr 7a_100000692535_100000210326 [1,0,0,0,0,0|3,0,0]=4 2764 B11R0.3 CCCCCOCCOCCC 34a_100000210253_100011215938 [1,0,0,0,0,0|2,0,1]=4 2765 B11R0.3 CCCCCOCCOCCC 34a_100000752267_100000718602 [1,0,0,0,0,0|2,0,1]=4 2766 B11R0.3 CCCCCOCCOCCC 34a_100011215259_100000210303 [1,0,0,0,0,0|2,0,1]=4 2767 B11R0.3 CCCCCOCCOCCC 7a_100000210253_100011215938 [1,0,0,0,0,0|2,0,1]=4 2768 B11R0.3 CCCCCOCCOCCC 7a_100000752267_100000210326 [1,0,0,0,0,0|2,0,1]=4 2769 B11R0.3 CCCCCOCCOCCC 7a_100011215259_100000210303 [1,0,0,0,0,0|2,0,1]=4 2770 B11R0.3 CCCCCOCCOCCCl 34a_100011215305_100000718602 [1,0,0,0,0,0|3,0,0]=4 2771 B11R0.3 CCCCCOCCOCCCl 7a_100011215305_100000210326 [1,0,0,0,0,0|3,0,0]=4 2772 B11R0.3 CCCCCOCCOCCF 34a_100011215259_100011217306 [1,0,0,0,0,0|3,0,0]=4 2773 B11R0.3 CCCCCOCCOCCF 34a_200015357709_100000718602 [1,0,0,0,0,0|3,0,0]=4 2774 B11R0.3 CCCCCOCCOCCF 7a_100011215259_100011217306 [1,0,0,0,0,0|3,0,0]=4 2775 B11R0.3 CCCCCOCCOCCF 7a_200015357709_100000210326 [1,0,0,0,0,0|3,0,0]=4 2776 B11R0.3 CCCCCOCCOCCI 34a_100012149058_100000718602 [1,0,0,0,0,0|3,0,0]=4 2777 B11R0.3 CCCCCOCCOCCI 7a_100012149058_100000210326 [1,0,0,0,0,0|3,0,0]=4 2778 B11R0.3 CCCCCOCCOCCN 34a_100000211614_100000718602 [1,0,0,0,0,0|3,0,0]=4 2779 B11R0.3 CCCCCOCCOCCO 34a_100000210253_100000692535 [1,0,0,0,0,0|2,0,1]=4 2780 B11R0.3 CCCCCOCCOCCO 34a_100011215259_100000211926 [1,0,0,0,0,0|2,0,1]=4 2781 B11R0.3 CCCCCOCCOCCO 7a_100000210253_100011215305 [1,0,0,0,0,0|2,0,1]=4 2782 B11R0.3 CCCCCOCCOCCO 7a_100011215259_100000211926 [1,0,0,0,0,0|2,0,1]=4 2783 B11R0.3 CCCCCOCCSCCC 34a_200000230433_100000718602 [1,0,0,0,0,0|2,0,1]=4 2784 B11R0.3 CCCCCOCCSCCC 7a_200000230433_100000210326 [1,0,0,0,0,0|2,0,1]=4 2785 B11R0.3 CCCCCOCOCCCC 34a_100000210253_100011995733 [1,0,0,0,0,0|2,0,1]=4 2786 B11R0.3 CCCCCSCCCCC#N 62a_100000210326_100000211819 [1,0,0,0,0,0|2,0,1]=4 2787 B11R0.3 CCCCCSCCCCC#N 62a_100011219923_100000210326 [1,0,0,0,0,0|2,0,1]=4 2788 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [1,0,0,0,0,0|1,0,0]=2 2789 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [1,0,0,0,0,0|1,0,0]=2 2790 B11R0.3 CCCCCSCCCCCF 62a_100000210326_100000729378 [1,0,0,0,0,0|2,0,0]=3 2791 B11R0.3 CCCCCSCCCCCF 62a_100000729378_100000210326 [1,0,0,0,0,0|2,0,0]=3 2792 B11R0.3 CCCCCSCCCCCO 62a_100000210326_100000746330 [1,0,0,0,0,0|1,0,1]=3 2793 B11R0.3 CCCCCSCCCCCO 62a_100000746330_100000210326 [1,0,0,0,0,0|1,0,1]=3 2794 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [1,0,0,0,0,0|2,0,1]=4 2795 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [1,0,0,0,0,0|2,0,1]=4 2796 B11R0.3 CCCCCSCCCOCC 62a_100000210326_100012232248 [1,0,0,0,0,0|2,0,1]=4 2797 B11R0.3 CCCCCSCCCOCC 62a_100012232248_100000210326 [1,0,0,0,0,0|2,0,1]=4 2798 B11R0.3 CCCCCSCCOCCC 62a_100000210326_100011215938 [1,0,0,0,0,0|2,0,1]=4 2799 B11R0.3 CCCCCSCCOCCC 62a_100011215938_100000210326 [1,0,0,0,0,0|2,0,1]=4 2800 B11R0.3 CCCCCSCCOCCO 62a_100000210326_100011215305 [1,0,0,0,0,0|2,0,1]=4 2801 B11R0.3 CCCCCSCCOCCO 62a_100011215305_100000210326 [1,0,0,0,0,0|2,0,1]=4 2802 B11R0.3 CCCCCSCOCCCC 62a_100000210326_100011995733 [1,0,0,0,0,0|2,0,1]=4 2803 B11R0.3 CCCCCSCOCCCC 62a_100011995733_100000210326 [1,0,0,0,0,0|2,0,1]=4 2804 B11R0.3 CCCCNCCCCCC#N 2230a_100000102301_100009813376 [1,0,0,0,0,0|2,0,1]=4 2805 B11R0.3 CCCCNCCCCCC#N 7a_106832991798_100009813376 [1,0,0,0,0,0|2,0,1]=4 2806 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [1,0,0,0,0,0|1,0,0]=2 2807 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [1,0,0,0,0,0|1,0,0]=2 2808 B11R0.3 CCCCNCCCCCCF 2230a_100000102301_100015922095 [1,0,0,0,0,0|2,0,0]=3 2809 B11R0.3 CCCCNCCCCCCF 7a_106832991798_100015922095 [1,0,0,0,0,0|2,0,0]=3 2810 B11R0.3 CCCCNCCCCCCO 2230a_100000102301_100000766143 [1,0,0,0,0,0|1,0,1]=3 2811 B11R0.3 CCCCNCCCCCCO 2230a_100000686447_100000210211 [1,0,0,0,0,0|1,0,1]=3 2812 B11R0.3 CCCCNCCCCCCO 34a_100000686447_100000210210 [1,0,0,0,0,0|1,0,1]=3 2813 B11R0.3 CCCCNCCCCCCO 7a_106832991798_100000766143 [1,0,0,0,0,0|1,0,1]=3 2814 B11R0.3 CCCCNCCCCCOC 2230a_100000747528_100000210211 [1,0,0,0,0,0|2,0,1]=4 2815 B11R0.3 CCCCNCCCCCOC 34a_100000747528_100000210210 [1,0,0,0,0,0|2,0,1]=4 2816 B11R0.3 CCCCNCCCCOCC 34a_200011216965_100000210202 [1,0,0,0,0,0|2,0,1]=4 2817 B11R0.3 CCCCNCCCCOCF 34a_200011216965_100015361967 [1,0,0,0,0,0|3,0,0]=4 2818 B11R0.3 CCCCNCCCOCCC 2230a_100011217757_100000210211 [1,0,0,0,0,0|2,0,1]=4 2819 B11R0.3 CCCCNCCCOCCC 34a_100011217757_100000210210 [1,0,0,0,0,0|2,0,1]=4 2820 B11R0.3 CCCCNCCOCCCC 2230a_100000102301_100000743108 [1,0,0,0,0,0|2,0,1]=4 2821 B11R0.3 CCCCNCCOCCCC 7a_106832991798_100000743108 [1,0,0,0,0,0|2,0,1]=4 2822 B11R0.3 CCCCNCCSCCCC 2230a_100025743550_100000210211 [1,0,0,0,0,0|2,0,1]=4 2823 B11R0.3 CCCCOCCCCCC#N 7a_100000210227_100009813376 [1,0,0,0,0,0|2,0,1]=4 2824 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [1,0,0,0,0,0|1,0,0]=2 2825 B11R0.3 CCCCOCCCCCCBr 34a_100011215345_100000210210 [1,0,0,0,0,0|2,0,0]=3 2826 B11R0.3 CCCCOCCCCCCBr 7a_100011215345_100000210211 [1,0,0,0,0,0|2,0,0]=3 2827 B11R0.3 CCCCOCCCCCCCl 34a_100000766143_100000210210 [1,0,0,0,0,0|2,0,0]=3 2828 B11R0.3 CCCCOCCCCCCCl 7a_100000766143_100000210211 [1,0,0,0,0,0|2,0,0]=3 2829 B11R0.3 CCCCOCCCCCCF 34a_100000210227_100015922095 [1,0,0,0,0,0|2,0,0]=3 2830 B11R0.3 CCCCOCCCCCCF 34a_100000732779_100000210210 [1,0,0,0,0,0|2,0,0]=3 2831 B11R0.3 CCCCOCCCCCCF 7a_100000210227_100015922095 [1,0,0,0,0,0|2,0,0]=3 2832 B11R0.3 CCCCOCCCCCCF 7a_100000732779_100000210211 [1,0,0,0,0,0|2,0,0]=3 2833 B11R0.3 CCCCOCCCCCCN 34a_100000686447_100000210210 [1,0,0,0,0,0|2,0,0]=3 2834 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [1,0,0,0,0,0|1,0,1]=3 2835 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [1,0,0,0,0,0|1,0,1]=3 2836 B11R0.3 CCCCOCCCCCNC 34a_100000722520_100000210210 [1,0,0,0,0,0|2,0,1]=4 2837 B11R0.3 CCCCOCCCCOCC 34a_200000760531_100000210202 [1,0,0,0,0,0|2,0,1]=4 2838 B11R0.3 CCCCOCCCCOCC 7a_200000760531_100000210202 [1,0,0,0,0,0|2,0,1]=4 2839 B11R0.3 CCCCOCCCCOCF 34a_200000760531_100015361967 [1,0,0,0,0,0|3,0,0]=4 2840 B11R0.3 CCCCOCCCCOCF 7a_200000760531_100015361967 [1,0,0,0,0,0|3,0,0]=4 2841 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [1,0,0,0,0,0|2,0,0]=3 2842 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [1,0,0,0,0,0|2,0,0]=3 2843 B11R0.3 CCCCOCCCNCCC 2230a_200000211371_100000210303 [1,0,0,0,0,0|2,0,1]=4 2844 B11R0.3 CCCCOCCCNCCC 34a_200000211371_100000210303 [1,0,0,0,0,0|2,0,1]=4 2845 B11R0.3 CCCCOCCCNCCF 2230a_200000211371_100011217306 [1,0,0,0,0,0|3,0,0]=4 2846 B11R0.3 CCCCOCCCNCCF 34a_200000211371_100011217306 [1,0,0,0,0,0|3,0,0]=4 2847 B11R0.3 CCCCOCCCNCCO 2230a_200000211371_100000211926 [1,0,0,0,0,0|2,0,1]=4 2848 B11R0.3 CCCCOCCCNCCO 34a_200000211371_100000211926 [1,0,0,0,0,0|2,0,1]=4 2849 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [1,0,0,0,0,0|2,0,0]=3 2850 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [1,0,0,0,0,0|2,0,0]=3 2851 B11R0.3 CCCCOCCCOCCC 34a_200011215613_100000210303 [1,0,0,0,0,0|2,0,1]=4 2852 B11R0.3 CCCCOCCCOCCC 7a_200011215613_100000210303 [1,0,0,0,0,0|2,0,1]=4 2853 B11R0.3 CCCCOCCCOCCF 34a_200011215613_100011217306 [1,0,0,0,0,0|3,0,0]=4 2854 B11R0.3 CCCCOCCCOCCF 7a_200011215613_100011217306 [1,0,0,0,0,0|3,0,0]=4 2855 B11R0.3 CCCCOCCCOCCO 34a_200011215613_100000211926 [1,0,0,0,0,0|2,0,1]=4 2856 B11R0.3 CCCCOCCCOCCO 7a_200011215613_100000211926 [1,0,0,0,0,0|2,0,1]=4 2857 B11R0.3 CCCCOCCNCCCF 2230a_100015189416_100000743108 [1,0,0,0,0,0|3,0,0]=4 2858 B11R0.3 CCCCOCCNCCCF 34a_100015189416_100000743108 [1,0,0,0,0,0|3,0,0]=4 2859 B11R0.3 CCCCOCCOCCCBr 34a_100011217188_100000743108 [1,0,0,0,0,0|3,0,0]=4 2860 B11R0.3 CCCCOCCOCCCC 34a_100000210227_100000743108 [1,0,0,0,0,0|2,0,1]=4 2861 B11R0.3 CCCCOCCOCCCC 34a_100000210238_100000210210 [1,0,0,0,0,0|2,0,1]=4 2862 B11R0.3 CCCCOCCOCCCC 7a_100000210227_100000743108 [1,0,0,0,0,0|2,0,1]=4 2863 B11R0.3 CCCCOCCOCCCC 7a_100000210238_100000210211 [1,0,0,0,0,0|2,0,1]=4 2864 B11R0.3 CCCCOCCOCCCCl 34a_100000230001_100000743108 [1,0,0,0,0,0|3,0,0]=4 2865 B11R0.3 CCCCOCCOCCCF 34a_100000210238_100011934791 [1,0,0,0,0,0|3,0,0]=4 2866 B11R0.3 CCCCOCCOCCCF 34a_100000759539_100000743108 [1,0,0,0,0,0|3,0,0]=4 2867 B11R0.3 CCCCOCCOCCCF 7a_100000210238_100011934791 [1,0,0,0,0,0|3,0,0]=4 2868 B11R0.3 CCCCOCCOCCCN 34a_100000182051_100000743108 [1,0,0,0,0,0|3,0,0]=4 2869 B11R0.3 CCCCOCCOCCCO 34a_100000210238_100000230001 [1,0,0,0,0,0|2,0,1]=4 2870 B11R0.3 CCCCOCCOCCCO 7a_100000210238_100011215043 [1,0,0,0,0,0|2,0,1]=4 2871 B11R0.3 CCCCOCCSCCCC 34a_200000230436_100000210210 [1,0,0,0,0,0|2,0,1]=4 2872 B11R0.3 CCCCOCCSCCCC 62a_100000210211_100000743108 [1,0,0,0,0,0|2,0,1]=4 2873 B11R0.3 CCCCOCCSCCCC 62a_100000743108_100000210210 [1,0,0,0,0,0|2,0,1]=4 2874 B11R0.3 CCCCOCCSCCCC 7a_200000230436_100000210211 [1,0,0,0,0,0|2,0,1]=4 2875 B11R0.3 CCCCOCCSCCCF 62a_100000743108_100011934791 [1,0,0,0,0,0|3,0,0]=4 2876 B11R0.3 CCCCOCCSCCCF 62a_100011934791_100000743108 [1,0,0,0,0,0|3,0,0]=4 2877 B11R0.3 CCCCOCCSCCCO 62a_100000743108_100011215043 [1,0,0,0,0,0|2,0,1]=4 2878 B11R0.3 CCCCOCCSCCCO 62a_100011215043_100000743108 [1,0,0,0,0,0|2,0,1]=4 2879 B11R0.3 CCCCOCNCCCCO 2230a_100000750430_100011995733 [1,0,0,0,0,0|2,0,1]=4 2880 B11R0.3 CCCCOCNCCCCO 34a_100000750430_100011995733 [1,0,0,0,0,0|2,0,1]=4 2881 B11R0.3 CCCCOCOCCCCBr 34a_100011216708_100011995733 [1,0,0,0,0,0|3,0,0]=4 2882 B11R0.3 CCCCOCOCCCCCl 34a_100000210776_100011995733 [1,0,0,0,0,0|3,0,0]=4 2883 B11R0.3 CCCCOCOCCCCF 34a_100011995726_100011995733 [1,0,0,0,0,0|3,0,0]=4 2884 B11R0.3 CCCCOCOCCCCI 34a_200012148704_100011995733 [1,0,0,0,0,0|3,0,0]=4 2885 B11R0.3 CCCCOCOCCCCN 34a_100000750430_100011995733 [1,0,0,0,0,0|3,0,0]=4 2886 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [1,0,0,0,0,0|2,0,0]=3 2887 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [1,0,0,0,0,0|2,0,0]=3 2888 B11R0.3 CCCCOCSCCCCF 62a_100000729493_100011995733 [1,0,0,0,0,0|3,0,0]=4 2889 B11R0.3 CCCCOCSCCCCF 62a_100011995733_100000729493 [1,0,0,0,0,0|3,0,0]=4 2890 B11R0.3 CCCCOCSCCCCO 62a_100000210776_100011995733 [1,0,0,0,0,0|2,0,1]=4 2891 B11R0.3 CCCCOCSCCCCO 62a_100011995733_100000210776 [1,0,0,0,0,0|2,0,1]=4 2892 B11R0.3 CCCCSCCCCCC#N 62a_100000210211_100009813376 [1,0,0,0,0,0|2,0,1]=4 2893 B11R0.3 CCCCSCCCCCC#N 62a_100009813376_100000210210 [1,0,0,0,0,0|2,0,1]=4 2894 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [1,0,0,0,0,0|1,0,0]=2 2895 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [1,0,0,0,0,0|1,0,0]=2 2896 B11R0.3 CCCCSCCCCCCF 62a_100000210211_100015922095 [1,0,0,0,0,0|2,0,0]=3 2897 B11R0.3 CCCCSCCCCCCF 62a_100015922095_100000210210 [1,0,0,0,0,0|2,0,0]=3 2898 B11R0.3 CCCCSCCCCCCO 62a_100000210211_100000766143 [1,0,0,0,0,0|1,0,1]=3 2899 B11R0.3 CCCCSCCCCCCO 62a_100000766143_100000210210 [1,0,0,0,0,0|1,0,1]=3 2900 B11R0.3 CCCCSCCNCCCF 2230a_100025743550_100011934791 [1,0,0,0,0,0|3,0,0]=4 2901 B11R0.3 CCCCSCCNCCCO 2230a_100025743550_100000230001 [1,0,0,0,0,0|2,0,1]=4 2902 B11R0.3 CCCCSCCOCCCF 34a_200000230436_100011934791 [1,0,0,0,0,0|3,0,0]=4 2903 B11R0.3 CCCCSCCOCCCF 7a_200000230436_100011934791 [1,0,0,0,0,0|3,0,0]=4 2904 B11R0.3 CCCCSCCOCCCO 34a_200000230436_100000230001 [1,0,0,0,0,0|2,0,1]=4 2905 B11R0.3 CCCCSCCOCCCO 7a_200000230436_100011215043 [1,0,0,0,0,0|2,0,1]=4 2906 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [1,0,0,0,0,0|1,0,1]=3 2907 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [1,0,0,0,0,0|1,0,1]=3 2908 B11R0.3 CCCNCCCOCCCO 2230a_100011310245_100000210303 [1,0,0,0,0,0|2,0,1]=4 2909 B11R0.3 CCCNCCCOCCCO 34a_100011310245_100000210303 [1,0,0,0,0,0|2,0,1]=4 2910 B11R0.3 CCCOCCCCCCCBr 34a_100000760002_100000210303 [1,0,0,0,0,0|2,0,0]=3 2911 B11R0.3 CCCOCCCCCCCBr 7a_100000760002_100000210303 [1,0,0,0,0,0|2,0,0]=3 2912 B11R0.3 CCCOCCCCCCCN 34a_100011996573_100000210303 [1,0,0,0,0,0|2,0,0]=3 2913 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [1,0,0,0,0,0|1,0,1]=3 2914 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [1,0,0,0,0,0|2,0,1]=4 2915 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [1,0,0,0,0,0|2,0,1]=4 2916 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [1,0,0,0,0,0|2,0,1]=4 2917 B11R0.3 CCCOCCCNCCCF 2230a_100011217757_100011934791 [1,0,0,0,0,0|3,0,0]=4 2918 B11R0.3 CCCOCCCNCCCF 34a_100011217757_100011934791 [1,0,0,0,0,0|3,0,0]=4 2919 B11R0.3 CCCOCCCNCCCO 2230a_100011217757_100000230001 [1,0,0,0,0,0|2,0,1]=4 2920 B11R0.3 CCCOCCCNCCCO 34a_100011217757_100000230001 [1,0,0,0,0,0|2,0,1]=4 2921 B11R0.3 CCCOCCCOCCCN 34a_100011310245_100000210303 [1,0,0,0,0,0|3,0,0]=4 2922 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [1,0,0,0,0,0|2,0,0]=3 2923 B11R0.3 CCCOCCNCCCCF 2230a_100161115042_100000729493 [1,0,0,0,0,0|3,0,0]=4 2924 B11R0.3 CCCOCCNCCCCF 34a_100161115042_100000729493 [1,0,0,0,0,0|3,0,0]=4 2925 B11R0.3 CCCOCCNCCCCO 2230a_100000750430_100011215938 [1,0,0,0,0,0|2,0,1]=4 2926 B11R0.3 CCCOCCNCCCCO 2230a_100161115042_100000210776 [1,0,0,0,0,0|2,0,1]=4 2927 B11R0.3 CCCOCCNCCCCO 34a_100000750430_100011215938 [1,0,0,0,0,0|2,0,1]=4 2928 B11R0.3 CCCOCCNCCCCO 34a_100161115042_100011216708 [1,0,0,0,0,0|2,0,1]=4 2929 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [1,0,0,0,0,0|2,0,0]=3 2930 B11R0.3 CCCOCCOCCCCBr 34a_100011216708_100011215938 [1,0,0,0,0,0|3,0,0]=4 2931 B11R0.3 CCCOCCOCCCCCl 34a_100000210776_100011215938 [1,0,0,0,0,0|3,0,0]=4 2932 B11R0.3 CCCOCCOCCCCCl 7a_100000210776_100011215938 [1,0,0,0,0,0|3,0,0]=4 2933 B11R0.3 CCCOCCOCCCCF 34a_100000752267_100000729493 [1,0,0,0,0,0|3,0,0]=4 2934 B11R0.3 CCCOCCOCCCCF 34a_100011995726_100011215938 [1,0,0,0,0,0|3,0,0]=4 2935 B11R0.3 CCCOCCOCCCCF 7a_100000752267_100000729493 [1,0,0,0,0,0|3,0,0]=4 2936 B11R0.3 CCCOCCOCCCCF 7a_100011995726_100011215938 [1,0,0,0,0,0|3,0,0]=4 2937 B11R0.3 CCCOCCOCCCCI 34a_200012148704_100011215938 [1,0,0,0,0,0|3,0,0]=4 2938 B11R0.3 CCCOCCOCCCCN 34a_100000750430_100011215938 [1,0,0,0,0,0|3,0,0]=4 2939 B11R0.3 CCCOCCOCCCCO 34a_100000752267_100011216708 [1,0,0,0,0,0|2,0,1]=4 2940 B11R0.3 CCCOCCOCCCCO 7a_100000752267_100000210776 [1,0,0,0,0,0|2,0,1]=4 2941 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [1,0,0,0,0,0|2,0,0]=3 2942 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [1,0,0,0,0,0|2,0,0]=3 2943 B11R0.3 CCCOCCSCCCCF 62a_100000729493_100011215938 [1,0,0,0,0,0|3,0,0]=4 2944 B11R0.3 CCCOCCSCCCCF 62a_100011215938_100000729493 [1,0,0,0,0,0|3,0,0]=4 2945 B11R0.3 CCCOCCSCCCCO 62a_100000210776_100011215938 [1,0,0,0,0,0|2,0,1]=4 2946 B11R0.3 CCCOCCSCCCCO 62a_100011215938_100000210776 [1,0,0,0,0,0|2,0,1]=4 2947 B11R0.3 CCCSCCCCCCC#N 62a_100000210303_100009813337 [1,0,0,0,0,0|2,0,1]=4 2948 B11R0.3 CCCSCCCCCCC#N 62a_100009813337_100000210303 [1,0,0,0,0,0|2,0,1]=4 2949 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [1,0,0,0,0,0|1,0,1]=3 2950 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [1,0,0,0,0,0|1,0,1]=3 2951 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [1,0,0,0,0,0|2,0,1]=4 2952 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [1,0,0,0,0,0|2,0,1]=4 2953 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [1,0,0,0,0,0|2,0,0]=3 2954 B11R0.3 CCCSCCNCCCCF 2230a_100020603323_100000729493 [1,0,0,0,0,0|3,0,0]=4 2955 B11R0.3 CCCSCCNCCCCO 2230a_100020603323_100000210776 [1,0,0,0,0,0|2,0,1]=4 2956 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [1,0,0,0,0,0|2,0,0]=3 2957 B11R0.3 CCCSCCOCCCCF 34a_200000230433_100000729493 [1,0,0,0,0,0|3,0,0]=4 2958 B11R0.3 CCCSCCOCCCCF 7a_200000230433_100000729493 [1,0,0,0,0,0|3,0,0]=4 2959 B11R0.3 CCCSCCOCCCCO 34a_200000230433_100011216708 [1,0,0,0,0,0|2,0,1]=4 2960 B11R0.3 CCCSCCOCCCCO 7a_200000230433_100000210776 [1,0,0,0,0,0|2,0,1]=4 2961 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [1,0,0,0,0,0|1,0,1]=3 2962 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [1,0,0,0,0,0|1,0,1]=3 2963 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [1,0,0,0,0,0|1,0,1]=3 2964 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [1,0,0,0,0,0|2,0,0]=3 2965 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [1,0,0,0,0,0|2,0,0]=3 2966 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [1,0,0,0,0,0|2,0,0]=3 2967 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [1,0,0,0,0,0|2,0,0]=3 2968 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [1,0,0,0,0,0|2,0,0]=3 2969 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [1,0,0,0,0,0|1,0,1]=3 2970 B11R0.3 CCOCCCCCNCCN 34a_103619048469_100000210202 [1,0,0,0,0,0|3,0,0]=4 2971 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [1,0,0,0,0,0|2,0,0]=3 2972 B11R0.3 CCOCCCNCCCCF 2230a_100000210961_100000729493 [1,0,0,0,0,0|3,0,0]=4 2973 B11R0.3 CCOCCCNCCCCF 34a_100000210961_100000729493 [1,0,0,0,0,0|3,0,0]=4 2974 B11R0.3 CCOCCCNCCCCO 2230a_100000210961_100000210776 [1,0,0,0,0,0|2,0,1]=4 2975 B11R0.3 CCOCCCNCCCCO 2230a_100000750430_100012232248 [1,0,0,0,0,0|2,0,1]=4 2976 B11R0.3 CCOCCCNCCCCO 34a_100000210961_100011216708 [1,0,0,0,0,0|2,0,1]=4 2977 B11R0.3 CCOCCCNCCCCO 34a_100000750430_100012232248 [1,0,0,0,0,0|2,0,1]=4 2978 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [1,0,0,0,0,0|2,0,0]=3 2979 B11R0.3 CCOCCCOCCCCBr 34a_100011216708_100012232248 [1,0,0,0,0,0|3,0,0]=4 2980 B11R0.3 CCOCCCOCCCCCl 34a_100000210776_100012232248 [1,0,0,0,0,0|3,0,0]=4 2981 B11R0.3 CCOCCCOCCCCCl 7a_100000210776_100012232248 [1,0,0,0,0,0|3,0,0]=4 2982 B11R0.3 CCOCCCOCCCCF 34a_100000757476_100000729493 [1,0,0,0,0,0|3,0,0]=4 2983 B11R0.3 CCOCCCOCCCCF 34a_100011995726_100012232248 [1,0,0,0,0,0|3,0,0]=4 2984 B11R0.3 CCOCCCOCCCCF 7a_100000757476_100000729493 [1,0,0,0,0,0|3,0,0]=4 2985 B11R0.3 CCOCCCOCCCCF 7a_100011995726_100012232248 [1,0,0,0,0,0|3,0,0]=4 2986 B11R0.3 CCOCCCOCCCCI 34a_200012148704_100012232248 [1,0,0,0,0,0|3,0,0]=4 2987 B11R0.3 CCOCCCOCCCCN 34a_100000750430_100012232248 [1,0,0,0,0,0|3,0,0]=4 2988 B11R0.3 CCOCCCOCCCCO 34a_100000757476_100011216708 [1,0,0,0,0,0|2,0,1]=4 2989 B11R0.3 CCOCCCOCCCCO 7a_100000757476_100000210776 [1,0,0,0,0,0|2,0,1]=4 2990 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [1,0,0,0,0,0|2,0,0]=3 2991 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [1,0,0,0,0,0|2,0,0]=3 2992 B11R0.3 CCOCCCSCCCCF 62a_100000729493_100012232248 [1,0,0,0,0,0|3,0,0]=4 2993 B11R0.3 CCOCCCSCCCCF 62a_100012232248_100000729493 [1,0,0,0,0,0|3,0,0]=4 2994 B11R0.3 CCOCCCSCCCCO 62a_100000210776_100012232248 [1,0,0,0,0,0|2,0,1]=4 2995 B11R0.3 CCOCCCSCCCCO 62a_100012232248_100000210776 [1,0,0,0,0,0|2,0,1]=4 2996 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [1,0,0,0,0,0|2,0,0]=3 2997 B11R0.3 CCOCCNCCCCCF 2230a_102516460346_100000729378 [1,0,0,0,0,0|3,0,0]=4 2998 B11R0.3 CCOCCNCCCCCF 34a_102516460346_100000729378 [1,0,0,0,0,0|3,0,0]=4 2999 B11R0.3 CCOCCNCCCCCO 2230a_100000762737_100011215890 [1,0,0,0,0,0|2,0,1]=4 3000 B11R0.3 CCOCCNCCCCCO 2230a_102516460346_100000746330 [1,0,0,0,0,0|2,0,1]=4 3001 B11R0.3 CCOCCNCCCCCO 34a_100000762737_100000210147 [1,0,0,0,0,0|2,0,1]=4 3002 B11R0.3 CCOCCNCCCCCO 34a_102516460346_100000746330 [1,0,0,0,0,0|2,0,1]=4 3003 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [1,0,0,0,0,0|2,0,0]=3 3004 B11R0.3 CCOCCOCCCCCBr 34a_100000746331_100000210147 [1,0,0,0,0,0|3,0,0]=4 3005 B11R0.3 CCOCCOCCCCCBr 7a_100000746331_100011215890 [1,0,0,0,0,0|3,0,0]=4 3006 B11R0.3 CCOCCOCCCCCCl 34a_100000746330_100000210147 [1,0,0,0,0,0|3,0,0]=4 3007 B11R0.3 CCOCCOCCCCCCl 7a_100000746330_100011215890 [1,0,0,0,0,0|3,0,0]=4 3008 B11R0.3 CCOCCOCCCCCF 34a_100000210136_100000729378 [1,0,0,0,0,0|3,0,0]=4 3009 B11R0.3 CCOCCOCCCCCF 7a_100000210136_100000729378 [1,0,0,0,0,0|3,0,0]=4 3010 B11R0.3 CCOCCOCCCCCI 34a_200012148887_100000210147 [1,0,0,0,0,0|3,0,0]=4 3011 B11R0.3 CCOCCOCCCCCI 7a_200012148887_100011215890 [1,0,0,0,0,0|3,0,0]=4 3012 B11R0.3 CCOCCOCCCCCN 34a_100000762737_100000210147 [1,0,0,0,0,0|3,0,0]=4 3013 B11R0.3 CCOCCOCCCCCO 34a_100000210136_100000746330 [1,0,0,0,0,0|2,0,1]=4 3014 B11R0.3 CCOCCOCCCCCO 7a_100000210136_100000746330 [1,0,0,0,0,0|2,0,1]=4 3015 B11R0.3 CCOCCOCCNCC=O 2230a_100102712874_200015260668 [1,0,0,0,0,0|3,0,0]=4 3016 B11R0.3 CCOCCOCCNCC=O 34a_100102712874_200009817547 [1,0,0,0,0,0|3,0,0]=4 3017 B11R0.3 CCOCCOCCOCC=O 34a_100000210240_200009817547 [1,0,0,0,0,0|3,0,0]=4 3018 B11R0.3 CCOCCOCCOCC=O 7a_100000210240_200015260668 [1,0,0,0,0,0|3,0,0]=4 3019 B11R0.3 CCOCCOCCSCC=O 62a_100011211534_200015260668 [1,0,0,0,0,0|3,0,0]=4 3020 B11R0.3 CCOCCOCCSCC=O 62a_200015260668_100011211534 [1,0,0,0,0,0|3,0,0]=4 3021 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [1,0,0,0,0,0|2,0,0]=3 3022 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [1,0,0,0,0,0|2,0,0]=3 3023 B11R0.3 CCOCCSCCCCCF 62a_100000210147_100000729378 [1,0,0,0,0,0|3,0,0]=4 3024 B11R0.3 CCOCCSCCCCCF 62a_100000729378_100011215890 [1,0,0,0,0,0|3,0,0]=4 3025 B11R0.3 CCOCCSCCCCCO 62a_100000210147_100000746330 [1,0,0,0,0,0|2,0,1]=4 3026 B11R0.3 CCOCCSCCCCCO 62a_100000746330_100011215890 [1,0,0,0,0,0|2,0,1]=4 3027 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [1,0,0,0,0,0|2,0,0]=3 3028 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [1,0,0,0,0,0|2,0,0]=3 3029 B11R0.3 CCOCSCCCCCCF 62a_100000739092_100015922095 [1,0,0,0,0,0|3,0,0]=4 3030 B11R0.3 CCOCSCCCCCCF 62a_100015922095_100000739092 [1,0,0,0,0,0|3,0,0]=4 3031 B11R0.3 CCOCSCCCCCCO 62a_100000739092_100000766143 [1,0,0,0,0,0|2,0,1]=4 3032 B11R0.3 CCOCSCCCCCCO 62a_100000766143_100000739092 [1,0,0,0,0,0|2,0,1]=4 3033 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [1,0,0,0,0,0|1,0,1]=3 3034 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [1,0,0,0,0,0|1,0,1]=3 3035 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [1,0,0,0,0,0|2,0,0]=3 3036 B11R0.3 CCSCCCOCCCCF 34a_100011216438_100000729493 [1,0,0,0,0,0|3,0,0]=4 3037 B11R0.3 CCSCCCOCCCCF 7a_100011216438_100000729493 [1,0,0,0,0,0|3,0,0]=4 3038 B11R0.3 CCSCCCOCCCCO 34a_100011216438_100011216708 [1,0,0,0,0,0|2,0,1]=4 3039 B11R0.3 CCSCCCOCCCCO 7a_100011216438_100000210776 [1,0,0,0,0,0|2,0,1]=4 3040 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [1,0,0,0,0,0|2,0,0]=3 3041 B11R0.3 CCSCCNCCCCCF 2230a_100000106463_100000729378 [1,0,0,0,0,0|3,0,0]=4 3042 B11R0.3 CCSCCNCCCCCO 2230a_100000106463_100000746330 [1,0,0,0,0,0|2,0,1]=4 3043 B11R0.3 CCSCCNCCCCCO 2230a_100000762737_100000757381 [1,0,0,0,0,0|2,0,1]=4 3044 B11R0.3 CCSCCNCCCCCO 34a_100000762737_100000757381 [1,0,0,0,0,0|2,0,1]=4 3045 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [1,0,0,0,0,0|2,0,0]=3 3046 B11R0.3 CCSCCOCCCCCBr 34a_100000746331_100000757381 [1,0,0,0,0,0|3,0,0]=4 3047 B11R0.3 CCSCCOCCCCCBr 7a_100000746331_100000757381 [1,0,0,0,0,0|3,0,0]=4 3048 B11R0.3 CCSCCOCCCCCCl 34a_100000746330_100000757381 [1,0,0,0,0,0|3,0,0]=4 3049 B11R0.3 CCSCCOCCCCCCl 7a_100000746330_100000757381 [1,0,0,0,0,0|3,0,0]=4 3050 B11R0.3 CCSCCOCCCCCF 34a_100000212035_100000729378 [1,0,0,0,0,0|3,0,0]=4 3051 B11R0.3 CCSCCOCCCCCF 7a_100000212035_100000729378 [1,0,0,0,0,0|3,0,0]=4 3052 B11R0.3 CCSCCOCCCCCI 34a_200012148887_100000757381 [1,0,0,0,0,0|3,0,0]=4 3053 B11R0.3 CCSCCOCCCCCI 7a_200012148887_100000757381 [1,0,0,0,0,0|3,0,0]=4 3054 B11R0.3 CCSCCOCCCCCN 34a_100000762737_100000757381 [1,0,0,0,0,0|3,0,0]=4 3055 B11R0.3 CCSCCOCCCCCO 34a_100000212035_100000746330 [1,0,0,0,0,0|2,0,1]=4 3056 B11R0.3 CCSCCOCCCCCO 7a_100000212035_100000746330 [1,0,0,0,0,0|2,0,1]=4 3057 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [1,0,0,0,0,0|2,0,0]=3 3058 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [1,0,0,0,0,0|2,0,0]=3 3059 B11R0.3 CCSCCSCCCCCF 62a_100000729378_100000757381 [1,0,0,0,0,0|3,0,0]=4 3060 B11R0.3 CCSCCSCCCCCF 62a_100000757381_100000729378 [1,0,0,0,0,0|3,0,0]=4 3061 B11R0.3 CCSCCSCCCCCO 62a_100000746330_100000757381 [1,0,0,0,0,0|2,0,1]=4 3062 B11R0.3 CCSCCSCCCCCO 62a_100000757381_100000746330 [1,0,0,0,0,0|2,0,1]=4 3063 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [1,0,0,0,0,0|1,0,1]=3 3064 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [1,0,0,0,0,0|1,0,1]=3 3065 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [1,0,0,0,0,0|1,0,1]=3 3066 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [1,0,0,0,0,0|1,0,1]=3 3067 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [1,0,0,0,0,0|1,0,1]=3 3068 B11R0.3 CNCCCCCOCCCF 34a_100000722520_100011934791 [1,0,0,0,0,0|3,0,0]=4 3069 B11R0.3 CNCCCCCOCCCO 34a_100000722520_100000230001 [1,0,0,0,0,0|2,0,1]=4 3070 B11R0.3 CNCCCOCCCCCF 34a_100000213112_100000729378 [1,0,0,0,0,0|3,0,0]=4 3071 B11R0.3 CNCCCOCCCCCO 34a_100000213112_100000746330 [1,0,0,0,0,0|2,0,1]=4 3072 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [1,0,0,0,0,0|2,0,0]=3 3073 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [1,0,0,0,0,0|2,0,0]=3 3074 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [1,0,0,0,0,0|2,0,0]=3 3075 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [1,0,0,0,0,0|2,0,0]=3 3076 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [1,0,0,0,0,0|2,0,0]=3 3077 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [1,0,0,0,0,0|1,0,1]=3 3078 B11R0.3 COCCCCCCNCCF 34a_100000724931_100011998445 [1,0,0,0,0,0|3,0,0]=4 3079 B11R0.3 COCCCCCCNCCO 2230a_100016997473_100011998445 [1,0,0,0,0,0|2,0,1]=4 3080 B11R0.3 COCCCCCCNCCO 34a_100016990907_100011998445 [1,0,0,0,0,0|2,0,1]=4 3081 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [1,0,0,0,0,0|2,0,0]=3 3082 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [1,0,0,0,0,0|2,0,0]=3 3083 B11R0.3 COCCCCCCOCCBr 34a_100000211926_100011998445 [1,0,0,0,0,0|3,0,0]=4 3084 B11R0.3 COCCCCCCOCCF 34a_200012092642_100011217306 [1,0,0,0,0,0|3,0,0]=4 3085 B11R0.3 COCCCCCCOCCF 7a_200012092642_100011217306 [1,0,0,0,0,0|3,0,0]=4 3086 B11R0.3 COCCCCCCOCCN 34a_100000210304_100011998445 [1,0,0,0,0,0|3,0,0]=4 3087 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [1,0,0,0,0,0|2,0,1]=4 3088 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [1,0,0,0,0,0|2,0,1]=4 3089 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [1,0,0,0,0,0|2,0,0]=3 3090 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [1,0,0,0,0,0|2,0,0]=3 3091 B11R0.3 COCCCCCCSCCF 62a_100011217306_100011998445 [1,0,0,0,0,0|3,0,0]=4 3092 B11R0.3 COCCCCCCSCCF 62a_100011998445_100011217306 [1,0,0,0,0,0|3,0,0]=4 3093 B11R0.3 COCCCCCCSCCO 62a_100000211926_100011998445 [1,0,0,0,0,0|2,0,1]=4 3094 B11R0.3 COCCCCCCSCCO 62a_100011998445_100000211926 [1,0,0,0,0,0|2,0,1]=4 3095 B11R0.3 COCCCCCNCCCF 2230a_100000747528_100011934791 [1,0,0,0,0,0|3,0,0]=4 3096 B11R0.3 COCCCCCNCCCF 34a_100000747528_100011934791 [1,0,0,0,0,0|3,0,0]=4 3097 B11R0.3 COCCCCCNCCCO 2230a_100000747528_100000230001 [1,0,0,0,0,0|2,0,1]=4 3098 B11R0.3 COCCCCCNCCCO 34a_100000747528_100000230001 [1,0,0,0,0,0|2,0,1]=4 3099 B11R0.3 COCCCCNCCCCO 2230a_100000750430_100000730899 [1,0,0,0,0,0|2,0,1]=4 3100 B11R0.3 COCCCCNCCCCO 34a_100000750430_100000755781 [1,0,0,0,0,0|2,0,1]=4 3101 B11R0.3 COCCCCOCCCCBr 34a_100011216708_100000755781 [1,0,0,0,0,0|3,0,0]=4 3102 B11R0.3 COCCCCOCCCCCl 34a_100000210776_100000755781 [1,0,0,0,0,0|3,0,0]=4 3103 B11R0.3 COCCCCOCCCCCl 7a_100000210776_100000730899 [1,0,0,0,0,0|3,0,0]=4 3104 B11R0.3 COCCCCOCCCCF 34a_100000740925_100000729493 [1,0,0,0,0,0|3,0,0]=4 3105 B11R0.3 COCCCCOCCCCF 34a_100011995726_100000755781 [1,0,0,0,0,0|3,0,0]=4 3106 B11R0.3 COCCCCOCCCCF 7a_100011995726_100000730899 [1,0,0,0,0,0|3,0,0]=4 3107 B11R0.3 COCCCCOCCCCI 34a_200012148704_100000755781 [1,0,0,0,0,0|3,0,0]=4 3108 B11R0.3 COCCCCOCCCCN 34a_100000750430_100000755781 [1,0,0,0,0,0|3,0,0]=4 3109 B11R0.3 COCCCCOCCCCO 34a_100000740925_100011216708 [1,0,0,0,0,0|2,0,1]=4 3110 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [1,0,0,0,0,0|2,0,0]=3 3111 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [1,0,0,0,0,0|2,0,0]=3 3112 B11R0.3 COCCCCSCCCCF 62a_100000729493_100000730899 [1,0,0,0,0,0|3,0,0]=4 3113 B11R0.3 COCCCCSCCCCF 62a_100000730899_100000729493 [1,0,0,0,0,0|3,0,0]=4 3114 B11R0.3 COCCCCSCCCCO 62a_100000210776_100000730899 [1,0,0,0,0,0|2,0,1]=4 3115 B11R0.3 COCCCCSCCCCO 62a_100000730899_100000210776 [1,0,0,0,0,0|2,0,1]=4 3116 B11R0.3 COCCCNCCCCCF 34a_100150723488_100000729378 [1,0,0,0,0,0|3,0,0]=4 3117 B11R0.3 COCCCNCCCCCO 2230a_100000762737_100000740836 [1,0,0,0,0,0|2,0,1]=4 3118 B11R0.3 COCCCNCCCCCO 34a_100000762737_100000740836 [1,0,0,0,0,0|2,0,1]=4 3119 B11R0.3 COCCCNCCCCCO 34a_100150723488_100000746330 [1,0,0,0,0,0|2,0,1]=4 3120 B11R0.3 COCCCOCCCCCBr 34a_100000746331_100000740836 [1,0,0,0,0,0|3,0,0]=4 3121 B11R0.3 COCCCOCCCCCBr 7a_100000746331_100000740836 [1,0,0,0,0,0|3,0,0]=4 3122 B11R0.3 COCCCOCCCCCCl 34a_100000746330_100000740836 [1,0,0,0,0,0|3,0,0]=4 3123 B11R0.3 COCCCOCCCCCCl 7a_100000746330_100000740836 [1,0,0,0,0,0|3,0,0]=4 3124 B11R0.3 COCCCOCCCCCF 34a_100000740835_100000729378 [1,0,0,0,0,0|3,0,0]=4 3125 B11R0.3 COCCCOCCCCCI 34a_200012148887_100000740836 [1,0,0,0,0,0|3,0,0]=4 3126 B11R0.3 COCCCOCCCCCI 7a_200012148887_100000740836 [1,0,0,0,0,0|3,0,0]=4 3127 B11R0.3 COCCCOCCCCCN 34a_100000762737_100000740836 [1,0,0,0,0,0|3,0,0]=4 3128 B11R0.3 COCCCOCCCCCO 34a_100000740835_100000746330 [1,0,0,0,0,0|2,0,1]=4 3129 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [1,0,0,0,0,0|2,0,0]=3 3130 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [1,0,0,0,0,0|2,0,0]=3 3131 B11R0.3 COCCCSCCCCCF 62a_100000709357_100000729378 [1,0,0,0,0,0|3,0,0]=4 3132 B11R0.3 COCCCSCCCCCF 62a_100000729378_100000709357 [1,0,0,0,0,0|3,0,0]=4 3133 B11R0.3 COCCCSCCCCCO 62a_100000709357_100000746330 [1,0,0,0,0,0|2,0,1]=4 3134 B11R0.3 COCCCSCCCCCO 62a_100000746330_100000709357 [1,0,0,0,0,0|2,0,1]=4 3135 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [1,0,0,0,0,0|2,0,0]=3 3136 B11R0.3 COCCNCCCCCCF 2230a_100000209980_100015922095 [1,0,0,0,0,0|3,0,0]=4 3137 B11R0.3 COCCNCCCCCCO 2230a_100000209980_100000766143 [1,0,0,0,0,0|2,0,1]=4 3138 B11R0.3 COCCNCCCCCCO 2230a_100000686447_100011201679 [1,0,0,0,0,0|2,0,1]=4 3139 B11R0.3 COCCNCCCCCCO 34a_100000686447_100011201679 [1,0,0,0,0,0|2,0,1]=4 3140 B11R0.3 COCCOCCCCCCBr 34a_100011215345_100011201679 [1,0,0,0,0,0|3,0,0]=4 3141 B11R0.3 COCCOCCCCCCBr 7a_100011215345_100000233755 [1,0,0,0,0,0|3,0,0]=4 3142 B11R0.3 COCCOCCCCCCCl 34a_100000766143_100011201679 [1,0,0,0,0,0|3,0,0]=4 3143 B11R0.3 COCCOCCCCCCCl 7a_100000766143_100000233755 [1,0,0,0,0,0|3,0,0]=4 3144 B11R0.3 COCCOCCCCCCF 34a_100000210237_100015922095 [1,0,0,0,0,0|3,0,0]=4 3145 B11R0.3 COCCOCCCCCCF 34a_100000732779_100011201679 [1,0,0,0,0,0|3,0,0]=4 3146 B11R0.3 COCCOCCCCCCF 7a_100000732779_100000233755 [1,0,0,0,0,0|3,0,0]=4 3147 B11R0.3 COCCOCCCCCCN 34a_100000686447_100011201679 [1,0,0,0,0,0|3,0,0]=4 3148 B11R0.3 COCCOCCCCCCO 34a_100000210237_100000766143 [1,0,0,0,0,0|2,0,1]=4 3149 B11R0.3 COCCOCCCNCC=O 2230a_100000206027_200015260668 [1,0,0,0,0,0|3,0,0]=4 3150 B11R0.3 COCCOCCCNCC=O 34a_100000206027_200009817547 [1,0,0,0,0,0|3,0,0]=4 3151 B11R0.3 COCCOCCCSCC=O 62a_100011216529_200015260668 [1,0,0,0,0,0|3,0,0]=4 3152 B11R0.3 COCCOCCCSCC=O 62a_200015260668_100011216529 [1,0,0,0,0,0|3,0,0]=4 3153 B11R0.3 COCCOCSCCCC=O 62a_100000231047_200011292268 [1,0,0,0,0,0|3,0,0]=4 3154 B11R0.3 COCCOCSCCCC=O 62a_200011292268_100000231047 [1,0,0,0,0,0|3,0,0]=4 3155 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [1,0,0,0,0,0|2,0,0]=3 3156 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [1,0,0,0,0,0|2,0,0]=3 3157 B11R0.3 COCCSCCCCCCF 62a_100000233755_100015922095 [1,0,0,0,0,0|3,0,0]=4 3158 B11R0.3 COCCSCCCCCCF 62a_100015922095_100000233755 [1,0,0,0,0,0|3,0,0]=4 3159 B11R0.3 COCCSCCCCCCO 62a_100000233755_100000766143 [1,0,0,0,0,0|2,0,1]=4 3160 B11R0.3 COCCSCCCCCCO 62a_100000766143_100000233755 [1,0,0,0,0,0|2,0,1]=4 3161 B11R0.3 COCNCCCCCCCO 2230a_100011996573_100000766300 [1,0,0,0,0,0|2,0,1]=4 3162 B11R0.3 COCSCCCCCCCO 62a_100000760002_100000766300 [1,0,0,0,0,0|2,0,1]=4 3163 B11R0.3 COCSCCCCCCCO 62a_100000766300_100000760002 [1,0,0,0,0,0|2,0,1]=4 3164 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [1,0,0,0,0,0|1,0,1]=3 3165 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [1,0,0,0,0,0|1,0,1]=3 3166 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [1,0,0,0,0,0|2,0,0]=3 3167 B11R0.3 CSCCCCOCCCCF 34a_100011217163_100000729493 [1,0,0,0,0,0|3,0,0]=4 3168 B11R0.3 CSCCCCOCCCCF 7a_100011217163_100000729493 [1,0,0,0,0,0|3,0,0]=4 3169 B11R0.3 CSCCCCOCCCCO 34a_100011217163_100011216708 [1,0,0,0,0,0|2,0,1]=4 3170 B11R0.3 CSCCCCOCCCCO 7a_100011217163_100000210776 [1,0,0,0,0,0|2,0,1]=4 3171 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [1,0,0,0,0,0|2,0,0]=3 3172 B11R0.3 CSCCCNCCCCCF 2230a_100000749238_100000729378 [1,0,0,0,0,0|3,0,0]=4 3173 B11R0.3 CSCCCNCCCCCO 2230a_100000749238_100000746330 [1,0,0,0,0,0|2,0,1]=4 3174 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [1,0,0,0,0,0|2,0,0]=3 3175 B11R0.3 CSCCCOCCCCCF 34a_100000690336_100000729378 [1,0,0,0,0,0|3,0,0]=4 3176 B11R0.3 CSCCCOCCCCCF 7a_100000690336_100000729378 [1,0,0,0,0,0|3,0,0]=4 3177 B11R0.3 CSCCCOCCCCCO 34a_100000690336_100000746330 [1,0,0,0,0,0|2,0,1]=4 3178 B11R0.3 CSCCCOCCCCCO 7a_100000690336_100000746330 [1,0,0,0,0,0|2,0,1]=4 3179 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [1,0,0,0,0,0|2,0,0]=3 3180 B11R0.3 CSCCNCCCCCCF 2230a_100020590264_100015922095 [1,0,0,0,0,0|3,0,0]=4 3181 B11R0.3 CSCCNCCCCCCO 2230a_100000686447_100000751147 [1,0,0,0,0,0|2,0,1]=4 3182 B11R0.3 CSCCNCCCCCCO 2230a_100020590264_100000766143 [1,0,0,0,0,0|2,0,1]=4 3183 B11R0.3 CSCCNCCCCCCO 34a_100000686447_100000212216 [1,0,0,0,0,0|2,0,1]=4 3184 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [1,0,0,0,0,0|2,0,0]=3 3185 B11R0.3 CSCCOCCCCCCBr 34a_100011215345_100000212216 [1,0,0,0,0,0|3,0,0]=4 3186 B11R0.3 CSCCOCCCCCCBr 7a_100011215345_100000212216 [1,0,0,0,0,0|3,0,0]=4 3187 B11R0.3 CSCCOCCCCCCCl 34a_100000766143_100000212216 [1,0,0,0,0,0|3,0,0]=4 3188 B11R0.3 CSCCOCCCCCCCl 7a_100000766143_100000212216 [1,0,0,0,0,0|3,0,0]=4 3189 B11R0.3 CSCCOCCCCCCF 34a_100000230434_100015922095 [1,0,0,0,0,0|3,0,0]=4 3190 B11R0.3 CSCCOCCCCCCF 34a_100000732779_100000212216 [1,0,0,0,0,0|3,0,0]=4 3191 B11R0.3 CSCCOCCCCCCF 7a_100000230434_100015922095 [1,0,0,0,0,0|3,0,0]=4 3192 B11R0.3 CSCCOCCCCCCF 7a_100000732779_100000212216 [1,0,0,0,0,0|3,0,0]=4 3193 B11R0.3 CSCCOCCCCCCN 34a_100000686447_100000212216 [1,0,0,0,0,0|3,0,0]=4 3194 B11R0.3 CSCCOCCCCCCO 34a_100000230434_100000766143 [1,0,0,0,0,0|2,0,1]=4 3195 B11R0.3 CSCCOCCCCCCO 7a_100000230434_100000766143 [1,0,0,0,0,0|2,0,1]=4 3196 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [1,0,0,0,0,0|2,0,0]=3 3197 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [1,0,0,0,0,0|2,0,0]=3 3198 B11R0.3 CSCCSCCCCCCF 62a_100000212216_100015922095 [1,0,0,0,0,0|3,0,0]=4 3199 B11R0.3 CSCCSCCCCCCF 62a_100015922095_100000751147 [1,0,0,0,0,0|3,0,0]=4 3200 B11R0.3 CSCCSCCCCCCO 62a_100000212216_100000766143 [1,0,0,0,0,0|2,0,1]=4 3201 B11R0.3 CSCCSCCCCCCO 62a_100000766143_100000751147 [1,0,0,0,0,0|2,0,1]=4 3202 B11R0.3 CSCNCCCCCCCO 2230a_100011996573_100011218213 [1,0,0,0,0,0|2,0,1]=4 3203 B11R0.3 CSCNCCCCCCCO 34a_100011996573_100011218213 [1,0,0,0,0,0|2,0,1]=4 3204 B11R0.3 CSCOCCCCCCCBr 34a_100000760002_100011218213 [1,0,0,0,0,0|3,0,0]=4 3205 B11R0.3 CSCOCCCCCCCN 34a_100011996573_100011218213 [1,0,0,0,0,0|3,0,0]=4 3206 B11R0.3 CSCSCCCCCCCO 62a_100000760002_100011218213 [1,0,0,0,0,0|2,0,1]=4 3207 B11R0.3 CSCSCCCCCCCO 62a_100011218213_100000760002 [1,0,0,0,0,0|2,0,1]=4 3208 B11R0.3 FCCCCCCNCCCF 2230a_100015189416_100015922095 [1,0,0,0,0,0|3,0,0]=4 3209 B11R0.3 FCCCCCCNCCCF 34a_100015189416_100015922095 [1,0,0,0,0,0|3,0,0]=4 3210 B11R0.3 FCCCCCCOCCCBr 34a_100011217188_100015922095 [1,0,0,0,0,0|3,0,0]=4 3211 B11R0.3 FCCCCCCOCCCCl 34a_100000230001_100015922095 [1,0,0,0,0,0|3,0,0]=4 3212 B11R0.3 FCCCCCCOCCCF 34a_100000732779_100011934791 [1,0,0,0,0,0|3,0,0]=4 3213 B11R0.3 FCCCCCCOCCCF 34a_100000759539_100015922095 [1,0,0,0,0,0|3,0,0]=4 3214 B11R0.3 FCCCCCCOCCCF 7a_100000732779_100011934791 [1,0,0,0,0,0|3,0,0]=4 3215 B11R0.3 FCCCCCCSCCCF 62a_100011934791_100015922095 [1,0,0,0,0,0|3,0,0]=4 3216 B11R0.3 FCCCCCCSCCCF 62a_100015922095_100011934791 [1,0,0,0,0,0|3,0,0]=4 3217 B11R0.3 FCCCCCOCCCCBr 34a_100011216708_100000729378 [1,0,0,0,0,0|3,0,0]=4 3218 B11R0.3 FCCCCCOCCCCCl 34a_100000210776_100000729378 [1,0,0,0,0,0|3,0,0]=4 3219 B11R0.3 FCCCCCOCCCCCl 7a_100000210776_100000729378 [1,0,0,0,0,0|3,0,0]=4 3220 B11R0.3 FCCCCCOCCCCF 34a_100011995726_100000729378 [1,0,0,0,0,0|3,0,0]=4 3221 B11R0.3 FCCCCCOCCCCF 7a_100011995726_100000729378 [1,0,0,0,0,0|3,0,0]=4 3222 B11R0.3 FCCCCCOCCCCI 34a_200012148704_100000729378 [1,0,0,0,0,0|3,0,0]=4 3223 B11R0.3 FCCCCCSCCCCF 62a_100000729378_100000729493 [1,0,0,0,0,0|3,0,0]=4 3224 B11R0.3 FCCCCCSCCCCF 62a_100000729493_100000729378 [1,0,0,0,0,0|3,0,0]=4 3225 B11R0.3 FCCCCOCCCCCBr 34a_100000746331_100000729493 [1,0,0,0,0,0|3,0,0]=4 3226 B11R0.3 FCCCCOCCCCCBr 7a_100000746331_100000729493 [1,0,0,0,0,0|3,0,0]=4 3227 B11R0.3 FCCCCOCCCCCCl 34a_100000746330_100000729493 [1,0,0,0,0,0|3,0,0]=4 3228 B11R0.3 FCCCCOCCCCCCl 7a_100000746330_100000729493 [1,0,0,0,0,0|3,0,0]=4 3229 B11R0.3 FCCCCOCCCCCI 34a_200012148887_100000729493 [1,0,0,0,0,0|3,0,0]=4 3230 B11R0.3 FCCCCOCCCCCI 7a_200012148887_100000729493 [1,0,0,0,0,0|3,0,0]=4 3231 B11R0.3 FCCCOCCCCCCBr 34a_100011215345_100011934791 [1,0,0,0,0,0|3,0,0]=4 3232 B11R0.3 FCCCOCCCCCCBr 7a_100011215345_100011934791 [1,0,0,0,0,0|3,0,0]=4 3233 B11R0.3 FCCCOCCCCCCCl 34a_100000766143_100011934791 [1,0,0,0,0,0|3,0,0]=4 3234 B11R0.3 FCCCOCCCCCCCl 7a_100000766143_100011934791 [1,0,0,0,0,0|3,0,0]=4 3235 B11R0.3 FCCOCCCCCCCBr 34a_100000760002_100011217306 [1,0,0,0,0,0|3,0,0]=4 3236 B11R0.3 FCCOCCCCCCCBr 7a_100000760002_100011217306 [1,0,0,0,0,0|3,0,0]=4 3237 B11R0.3 FCOCCCCCCCCBr 34a_100009813846_100015361967 [1,0,0,0,0,0|3,0,0]=4 3238 B11R0.3 FCOCCCCCCCCBr 7a_100009813846_100015361967 [1,0,0,0,0,0|3,0,0]=4 3239 B11R0.3 FCOCCCCCCCCCl 34a_100000033203_100015361967 [1,0,0,0,0,0|3,0,0]=4 3240 B11R0.3 FCOCCCCCCCCCl 7a_100000033203_100015361967 [1,0,0,0,0,0|3,0,0]=4 3241 B11R0.3 N#CCCCCCCSCC=O 62a_100009813337_200015260668 [1,0,0,0,0,0|2,0,1]=4 3242 B11R0.3 N#CCCCCCCSCC=O 62a_200015260668_100009813337 [1,0,0,0,0,0|2,0,1]=4 3243 B11R0.3 N#CCCCCSCCCC=O 62a_100011219923_200011292268 [1,0,0,0,0,0|2,0,1]=4 3244 B11R0.3 N#CCCCCSCCCC=O 62a_200011292268_100000211819 [1,0,0,0,0,0|2,0,1]=4 3245 B11R0.3 N#CCCCSCCCCC=O 62a_100000139335_100000687738 [1,0,0,0,0,0|2,0,1]=4 3246 B11R0.3 N#CCCCSCCCCC=O 62a_100000687738_100000139335 [1,0,0,0,0,0|2,0,1]=4 3247 B11R0.3 N#CCCSCCCCCC=O 62a_100000139337_100011215226 [1,0,0,0,0,0|2,0,1]=4 3248 B11R0.3 N#CCCSCCCCCC=O 62a_100011215226_100000139337 [1,0,0,0,0,0|2,0,1]=4 3249 B11R0.3 NCCCCCCCCOCF 34a_102515433106_100015361967 [1,0,0,0,0,0|3,0,0]=4 3250 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [1,0,0,0,0,0|2,0,0]=3 3251 B11R0.3 NCCCCCCCOCCF 34a_100011996573_100011217306 [1,0,0,0,0,0|3,0,0]=4 3252 B11R0.3 NCCCCCCCOCCO 34a_100011996573_100000211926 [1,0,0,0,0,0|2,0,1]=4 3253 B11R0.3 NCCCCCCOCCCF 34a_100000686447_100011934791 [1,0,0,0,0,0|3,0,0]=4 3254 B11R0.3 NCCCCCCOCCCO 34a_100000686447_100000230001 [1,0,0,0,0,0|2,0,1]=4 3255 B11R0.3 NCCCCCOCCCCF 34a_100000762737_100000729493 [1,0,0,0,0,0|3,0,0]=4 3256 B11R0.3 NCCCCCOCCCCO 34a_100000762737_100011216708 [1,0,0,0,0,0|2,0,1]=4 3257 B11R0.3 NCCCCOCCCCCF 34a_100000750430_100000729378 [1,0,0,0,0,0|3,0,0]=4 3258 B11R0.3 NCCCCOCCCCCO 34a_100000750430_100000746330 [1,0,0,0,0,0|2,0,1]=4 3259 B11R0.3 NCCCOCCCCCCF 34a_100000182051_100015922095 [1,0,0,0,0,0|3,0,0]=4 3260 B11R0.3 NCCCOCCCCCCO 34a_100000182051_100000766143 [1,0,0,0,0,0|2,0,1]=4 3261 B11R0.3 NCCCOCCCOCC=O 34a_100011310245_200009817547 [1,0,0,0,0,0|3,0,0]=4 3262 B11R0.3 NCCOCCCCCCCO 34a_100000210304_100000760002 [1,0,0,0,0,0|2,0,1]=4 3263 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [1,0,0,0,0,0|2,0,0]=3 3264 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [1,0,0,0,0,0|2,0,0]=3 3265 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [1,0,0,0,0,0|2,0,0]=3 3266 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [1,0,0,0,0,0|2,0,0]=3 3267 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [1,0,0,0,0,0|2,0,0]=3 3268 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [1,0,0,0,0,0|2,0,0]=3 3269 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [1,0,0,0,0,0|2,0,0]=3 3270 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [1,0,0,0,0,0|2,0,0]=3 3271 B11R0.3 O=CCCCCSCCCC=O 62a_100000139335_200011292268 [1,0,0,0,0,0|2,0,1]=4 3272 B11R0.3 O=CCCCCSCCCC=O 62a_200011292268_100000139335 [1,0,0,0,0,0|2,0,1]=4 3273 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [1,0,0,0,0,0|2,0,0]=3 3274 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [1,0,0,0,0,0|2,0,0]=3 3275 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [1,0,0,0,0,0|2,0,0]=3 3276 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [1,0,0,0,0,0|2,0,0]=3 3277 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [1,0,0,0,0,0|2,0,0]=3 3278 B11R0.3 O=CCCCNCCOCCO 2230a_100000211614_200011292268 [1,0,0,0,0,0|3,0,0]=4 3279 B11R0.3 O=CCCCNCCSCCO 2230a_100011219999_200011292268 [1,0,0,0,0,0|3,0,0]=4 3280 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [1,0,0,0,0,0|2,0,0]=3 3281 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [1,0,0,0,0,0|2,0,0]=3 3282 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [1,0,0,0,0,0|2,0,0]=3 3283 B11R0.3 O=CCCCOCCOCCBr 7a_100000692535_200011292268 [1,0,0,0,0,0|3,0,0]=4 3284 B11R0.3 O=CCCCOCCOCCCl 7a_100011215305_200011292268 [1,0,0,0,0,0|3,0,0]=4 3285 B11R0.3 O=CCCCOCCOCCF 7a_200015357709_200011292268 [1,0,0,0,0,0|3,0,0]=4 3286 B11R0.3 O=CCCCOCCOCCI 7a_100012149058_200011292268 [1,0,0,0,0,0|3,0,0]=4 3287 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [1,0,0,0,0,0|2,0,0]=3 3288 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [1,0,0,0,0,0|2,0,0]=3 3289 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [1,0,0,0,0,0|2,0,0]=3 3290 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [1,0,0,0,0,0|2,0,0]=3 3291 B11R0.3 O=CCCCSCCOCCO 62a_100011215305_200011292268 [1,0,0,0,0,0|3,0,0]=4 3292 B11R0.3 O=CCCCSCCOCCO 62a_200011292268_100011215305 [1,0,0,0,0,0|3,0,0]=4 3293 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [1,0,0,0,0,0|2,0,0]=3 3294 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [1,0,0,0,0,0|2,0,0]=3 3295 B11R0.3 O=CCNCCCOCCCO 2230a_100011310245_200015260668 [1,0,0,0,0,0|3,0,0]=4 3296 B11R0.3 O=CCNCCCOCCCO 34a_100011310245_200009817547 [1,0,0,0,0,0|3,0,0]=4 3297 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [1,0,0,0,0,0|2,0,0]=3 3298 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [1,0,0,0,0,0|2,0,0]=3 3299 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [1,0,0,0,0,0|2,0,0]=3 3300 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [1,0,0,0,0,0|2,0,0]=3 3301 B11R0.3 OCCCCCCCCNCF 34a_102515433106_100015361967 [1,0,0,0,0,0|2,0,1]=4 3302 B11R0.3 OCCCCCCCCSCF 62a_100000033203_100015361967 [1,0,0,0,0,0|2,0,1]=4 3303 B11R0.3 OCCCCCCCCSCF 62a_100015361967_100000033203 [1,0,0,0,0,0|2,0,1]=4 3304 B11R0.3 OCCCCCCCNCCF 2230a_100011996573_100011217306 [1,0,0,0,0,0|2,0,1]=4 3305 B11R0.3 OCCCCCCCNCCF 34a_100000724931_100000760002 [1,0,0,0,0,0|2,0,1]=4 3306 B11R0.3 OCCCCCCCNCCF 34a_100011996573_100011217306 [1,0,0,0,0,0|2,0,1]=4 3307 B11R0.3 OCCCCCCCNCCO 2230a_100011996573_100000211926 [1,0,0,0,0,0|2,0,1]=4 3308 B11R0.3 OCCCCCCCNCCO 2230a_100016997473_100000760002 [1,0,0,0,0,0|2,0,1]=4 3309 B11R0.3 OCCCCCCCNCCO 34a_100011996573_100000211926 [1,0,0,0,0,0|2,0,1]=4 3310 B11R0.3 OCCCCCCCNCCO 34a_100016990907_100000760002 [1,0,0,0,0,0|2,0,1]=4 3311 B11R0.3 OCCCCCCCOCCBr 34a_100000211926_100000760002 [1,0,0,0,0,0|2,0,1]=4 3312 B11R0.3 OCCCCCCCSCCF 62a_100000760002_100011217306 [1,0,0,0,0,0|2,0,1]=4 3313 B11R0.3 OCCCCCCCSCCF 62a_100011217306_100000760002 [1,0,0,0,0,0|2,0,1]=4 3314 B11R0.3 OCCCCCCCSCCO 62a_100000211926_100000760002 [1,0,0,0,0,0|2,0,1]=4 3315 B11R0.3 OCCCCCCCSCCO 62a_100000760002_100000211926 [1,0,0,0,0,0|2,0,1]=4 3316 B11R0.3 OCCCCCCNCCCF 2230a_100000686447_100011934791 [1,0,0,0,0,0|2,0,1]=4 3317 B11R0.3 OCCCCCCNCCCF 2230a_100015189416_100000766143 [1,0,0,0,0,0|2,0,1]=4 3318 B11R0.3 OCCCCCCNCCCF 34a_100000686447_100011934791 [1,0,0,0,0,0|2,0,1]=4 3319 B11R0.3 OCCCCCCNCCCF 34a_100015189416_100000766143 [1,0,0,0,0,0|2,0,1]=4 3320 B11R0.3 OCCCCCCNCCCO 2230a_100000686447_100000230001 [1,0,0,0,0,0|2,0,1]=4 3321 B11R0.3 OCCCCCCNCCCO 34a_100000686447_100000230001 [1,0,0,0,0,0|2,0,1]=4 3322 B11R0.3 OCCCCCCOCCCBr 34a_100011217188_100000766143 [1,0,0,0,0,0|2,0,1]=4 3323 B11R0.3 OCCCCCCOCCCCl 34a_100000230001_100000766143 [1,0,0,0,0,0|2,0,1]=4 3324 B11R0.3 OCCCCCCOCCCF 34a_100000759539_100000766143 [1,0,0,0,0,0|2,0,1]=4 3325 B11R0.3 OCCCCCCSCCCF 62a_100000766143_100011934791 [1,0,0,0,0,0|2,0,1]=4 3326 B11R0.3 OCCCCCCSCCCF 62a_100011934791_100000766143 [1,0,0,0,0,0|2,0,1]=4 3327 B11R0.3 OCCCCCCSCCCO 62a_100000766143_100011215043 [1,0,0,0,0,0|2,0,1]=4 3328 B11R0.3 OCCCCCCSCCCO 62a_100011215043_100000766143 [1,0,0,0,0,0|2,0,1]=4 3329 B11R0.3 OCCCCCNCCCCF 2230a_100000762737_100000729493 [1,0,0,0,0,0|2,0,1]=4 3330 B11R0.3 OCCCCCNCCCCF 34a_100000762737_100000729493 [1,0,0,0,0,0|2,0,1]=4 3331 B11R0.3 OCCCCCNCCCCO 2230a_100000750430_100000746330 [1,0,0,0,0,0|2,0,1]=4 3332 B11R0.3 OCCCCCNCCCCO 2230a_100000762737_100000210776 [1,0,0,0,0,0|2,0,1]=4 3333 B11R0.3 OCCCCCNCCCCO 34a_100000750430_100000746330 [1,0,0,0,0,0|2,0,1]=4 3334 B11R0.3 OCCCCCNCCCCO 34a_100000762737_100011216708 [1,0,0,0,0,0|2,0,1]=4 3335 B11R0.3 OCCCCCOCCCCBr 34a_100011216708_100000746330 [1,0,0,0,0,0|2,0,1]=4 3336 B11R0.3 OCCCCCOCCCCCl 34a_100000210776_100000746330 [1,0,0,0,0,0|2,0,1]=4 3337 B11R0.3 OCCCCCOCCCCCl 7a_100000210776_100000746330 [1,0,0,0,0,0|2,0,1]=4 3338 B11R0.3 OCCCCCOCCCCF 34a_100011995726_100000746330 [1,0,0,0,0,0|2,0,1]=4 3339 B11R0.3 OCCCCCOCCCCF 7a_100011995726_100000746330 [1,0,0,0,0,0|2,0,1]=4 3340 B11R0.3 OCCCCCOCCCCI 34a_200012148704_100000746330 [1,0,0,0,0,0|2,0,1]=4 3341 B11R0.3 OCCCCCSCCCCF 62a_100000729493_100000746330 [1,0,0,0,0,0|2,0,1]=4 3342 B11R0.3 OCCCCCSCCCCF 62a_100000746330_100000729493 [1,0,0,0,0,0|2,0,1]=4 3343 B11R0.3 OCCCCCSCCCCO 62a_100000210776_100000746330 [1,0,0,0,0,0|2,0,1]=4 3344 B11R0.3 OCCCCCSCCCCO 62a_100000746330_100000210776 [1,0,0,0,0,0|2,0,1]=4 3345 B11R0.3 OCCCCNCCCCCF 2230a_100000750430_100000729378 [1,0,0,0,0,0|2,0,1]=4 3346 B11R0.3 OCCCCNCCCCCF 34a_100000750430_100000729378 [1,0,0,0,0,0|2,0,1]=4 3347 B11R0.3 OCCCCOCCCCCBr 34a_100000746331_100011216708 [1,0,0,0,0,0|2,0,1]=4 3348 B11R0.3 OCCCCOCCCCCBr 7a_100000746331_100000210776 [1,0,0,0,0,0|2,0,1]=4 3349 B11R0.3 OCCCCOCCCCCCl 34a_100000746330_100011216708 [1,0,0,0,0,0|2,0,1]=4 3350 B11R0.3 OCCCCOCCCCCCl 7a_100000746330_100000210776 [1,0,0,0,0,0|2,0,1]=4 3351 B11R0.3 OCCCCOCCCCCI 34a_200012148887_100011216708 [1,0,0,0,0,0|2,0,1]=4 3352 B11R0.3 OCCCCOCCCCCI 7a_200012148887_100000210776 [1,0,0,0,0,0|2,0,1]=4 3353 B11R0.3 OCCCCSCCCCCF 62a_100000210776_100000729378 [1,0,0,0,0,0|2,0,1]=4 3354 B11R0.3 OCCCCSCCCCCF 62a_100000729378_100000210776 [1,0,0,0,0,0|2,0,1]=4 3355 B11R0.3 OCCCOCCCCCCBr 34a_100011215345_100000230001 [1,0,0,0,0,0|2,0,1]=4 3356 B11R0.3 OCCCOCCCCCCBr 7a_100011215345_100011215043 [1,0,0,0,0,0|2,0,1]=4 3357 B11R0.3 OCCCOCCCCCCCl 34a_100000766143_100000230001 [1,0,0,0,0,0|2,0,1]=4 3358 B11R0.3 OCCCOCCCCCCCl 7a_100000766143_100011215043 [1,0,0,0,0,0|2,0,1]=4 3359 B11R0.3 OCCCOCCCCCCF 34a_100000732779_100000230001 [1,0,0,0,0,0|2,0,1]=4 3360 B11R0.3 OCCCOCCCCCCF 7a_100000732779_100011215043 [1,0,0,0,0,0|2,0,1]=4 3361 B11R0.3 OCCCSCCCCCCF 62a_100011215043_100015922095 [1,0,0,0,0,0|2,0,1]=4 3362 B11R0.3 OCCCSCCCCCCF 62a_100015922095_100011215043 [1,0,0,0,0,0|2,0,1]=4 3363 B11R0.3 OCCOCCCCCCCBr 34a_100000760002_100000211926 [1,0,0,0,0,0|2,0,1]=4 3364 B11R0.3 OCCOCCCCCCCBr 7a_100000760002_100000211926 [1,0,0,0,0,0|2,0,1]=4 3365 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [1,0,0,0,0,0|1,0,1]=3 3366 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [1,0,0,0,0,0|1,0,1]=3 3367 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [1,0,0,0,0,0|2,0,0]=3 3368 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [1,0,0,0,0,0|2,0,0]=3 3369 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [1,0,0,0,0,0|2,0,0]=3 3370 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [1,0,0,0,0,0|2,0,0]=3 3371 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [1,0,0,0,0,0|2,0,0]=3 3372 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [1,0,0,0,0,0|1,0,1]=3 3373 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [1,0,0,0,0,0|1,0,1]=3 3374 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100000210558_100000184674 [0,1,0,0,0,0|1,0,2]=4 3375 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100011220946_100000210670 [0,1,0,0,0,0|1,0,2]=4 3376 B13R0.2 C#CCC(C)OCCCCCCCC 34a_100000685586_100000210759 [0,1,0,0,0,0|2,0,1]=4 3377 B13R0.2 C#CCC(C)OCCCCCCCC 7a_100000685586_100000210759 [0,1,0,0,0,0|2,0,1]=4 3378 B13R0.2 C#CCCCCCCCC(=O)CCC 1458a_100000087357_100000210303 [0,1,0,0,0,0|1,0,2]=4 3379 B13R0.2 C#CCCCCCCCC(=O)CCC 1458a_100000211992_100153394163 [0,1,0,0,0,0|1,0,2]=4 3380 B13R0.2 C#CCCCCCCCN(C)CCC 2230a_100000747261_100153394163 [0,1,0,0,0,0|2,0,1]=4 3381 B13R0.2 C#CCCCCCCCN(C)CCC 269982a_100000747261_100153394163 [0,1,0,0,0,0|2,0,1]=4 3382 B13R0.2 C#CCCCCCCNC(C)CCC 2230a_100000741246_100012276617 [0,1,0,0,0,0|2,0,1]=4 3383 B13R0.2 C#CCCCCCCOC(C)CCC 34a_100000764384_100012276617 [0,1,0,0,0,0|2,0,1]=4 3384 B13R0.2 C#CCCCCCCOC(C)CCC 34a_100011217361_100000766640 [0,1,0,0,0,0|2,0,1]=4 3385 B13R0.2 C#CCCCCCCOC(C)CCC 7a_100000764384_100012276617 [0,1,0,0,0,0|2,0,1]=4 3386 B13R0.2 C#CCCCCCCOC(C)CCC 7a_100011217361_100000766640 [0,1,0,0,0,0|2,0,1]=4 3387 B13R0.2 C#CCCCCCCSC(C)CCC 62a_100000766640_100012276617 [0,1,0,0,0,0|2,0,1]=4 3388 B13R0.2 C#CCCCCCCSC(C)CCC 62a_100012276617_100000766640 [0,1,0,0,0,0|2,0,1]=4 3389 B13R0.2 C#CCCCCCOCC(C)CCC 34a_100000688023_100012094781 [0,1,0,0,0,0|2,0,1]=4 3390 B13R0.2 C#CCCCCCOCC(C)CCC 34a_100000766912_100011216630 [0,1,0,0,0,0|2,0,1]=4 3391 B13R0.2 C#CCCCCCOCC(C)CCC 7a_100000688023_100012094781 [0,1,0,0,0,0|2,0,1]=4 3392 B13R0.2 C#CCCCCCOCC(C)CCC 7a_100000766912_100011216630 [0,1,0,0,0,0|2,0,1]=4 3393 B13R0.2 C#CCCCCCOC[C@@H](N)CCC 34a_100000732646_100012094781 [0,1,0,0,0,0|2,0,1]=4 3394 B13R0.2 C#CCCCCCSCC(C)CCC 62a_100011216630_100012094781 [0,1,0,0,0,0|2,0,1]=4 3395 B13R0.2 C#CCCCCCSCC(C)CCC 62a_100012094781_100011216630 [0,1,0,0,0,0|2,0,1]=4 3396 B13R0.2 C#CCCCCOCCC(C)CCC 34a_100011217855_100010269958 [0,1,0,0,0,0|2,0,1]=4 3397 B13R0.2 C#CCCCCOCCC(C)CCC 7a_100011217855_100010269958 [0,1,0,0,0,0|2,0,1]=4 3398 B13R0.2 C#CCCCCOCC[C@@H](N)CCC 34a_100015193777_100010269958 [0,1,0,0,0,0|2,0,1]=4 3399 B13R0.2 C#CCCCOCCCC(C)CCC 34a_100011713154_100000695029 [0,1,0,0,0,0|2,0,1]=4 3400 B13R0.2 C#CCCCOCCCC(C)CCC 7a_100011713154_100011215417 [0,1,0,0,0,0|2,0,1]=4 3401 B13R0.2 C#CCN(C)CCCCCCCCC 2230a_100000225692_100011214924 [0,1,0,0,0,0|2,0,1]=4 3402 B13R0.2 C#CCN(C)CCCCCCCCC 2230a_100000232482_100000038162 [0,1,0,0,0,0|2,0,1]=4 3403 B13R0.2 C#CCN(C)CCCCCCCCC 34a_100000225692_100011214924 [0,1,0,0,0,0|2,0,1]=4 3404 B13R0.2 C/C=C/C(C)OCCCCCCCC 34a_200102604097_100000210759 [0,1,0,0,0,0|2,0,1]=4 3405 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210193_100000210670 [0,1,0,0,0,0|1,0,1]=3 3406 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210558_100000210623 [0,1,0,0,0,0|1,0,1]=3 3407 B13R0.2 C=CCC(=O)CCCCCCCCO 1458a_100000210193_100000033203 [0,1,0,0,0,0|2,0,1]=4 3408 B13R0.2 C=CCC(=O)NCCCCCCCC 11a_100000229939_100000210193 [0,1,0,0,0,0|2,0,1]=4 3409 B13R0.2 C=CCC(=O)NCCCCCCCC 1626a_100000229939_100000210193 [0,1,0,0,0,0|2,0,1]=4 3410 B13R0.2 C=CCC(=O)NCCCCCCCC 240690a_100000229939_100000210193 [0,1,0,0,0,0|2,0,1]=4 3411 B13R0.2 C=CCC(=O)NCCCCCCCC 527a_100000229939_100000210193 [0,1,0,0,0,0|2,0,1]=4 3412 B13R0.2 C=CCC(C)COCCCCCC=O 7a_100009832082_100000139337 [0,1,0,0,0,0|1,0,2]=4 3413 B13R0.2 C=CCC(C)COCCCCCCC 34a_100009832082_100000210614 [0,1,0,0,0,0|2,0,0]=3 3414 B13R0.2 C=CCC(C)COCCCCCCC 7a_100009832082_100000210614 [0,1,0,0,0,0|2,0,0]=3 3415 B13R0.2 C=CCC(C)COCCCCCCF 34a_100009832082_100015922095 [0,1,0,0,0,0|3,0,0]=4 3416 B13R0.2 C=CCC(C)COCCCCCCF 7a_100009832082_100015922095 [0,1,0,0,0,0|3,0,0]=4 3417 B13R0.2 C=CCC(C)COCCCCCCO 34a_100009832082_100000766143 [0,1,0,0,0,0|3,0,0]=4 3418 B13R0.2 C=CCC(C)COCCCCCCO 7a_100009832082_100000766143 [0,1,0,0,0,0|3,0,0]=4 3419 B13R0.2 C=CCC(C)COCCOCCCC 34a_100009832082_100000743108 [0,1,0,0,0,0|3,0,0]=4 3420 B13R0.2 C=CCC(C)COCCOCCCC 7a_100009832082_100000743108 [0,1,0,0,0,0|3,0,0]=4 3421 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100000211992_100012355270 [0,1,0,0,0,0|1,0,1]=3 3422 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100011216160_100000210303 [0,1,0,0,0,0|1,0,1]=3 3423 B13R0.2 C=CCCCCCCCC(=O)CCF 1458a_100011216160_100011217306 [0,1,0,0,0,0|2,0,1]=4 3424 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216160_100000211926 [0,1,0,0,0,0|2,0,1]=4 3425 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216618_100012355270 [0,1,0,0,0,0|2,0,1]=4 3426 B13R0.2 C=CCCCCCCCC(=O)COC 1458a_100000210968_100012355270 [0,1,0,0,0,0|2,0,1]=4 3427 B13R0.2 C=CCCCCCCCC(=O)CSC 1458a_100000184570_100012355270 [0,1,0,0,0,0|2,0,1]=4 3428 B13R0.2 C=CCCCCCCCC(=O)NCC 11a_100015525214_100011216160 [0,1,0,0,0,0|2,0,1]=4 3429 B13R0.2 C=CCCCCCCCC(=O)NCC 240690a_100015525214_100011216160 [0,1,0,0,0,0|2,0,1]=4 3430 B13R0.2 C=CCCCCCCCC(=O)NCC 527a_100015525214_100011216160 [0,1,0,0,0,0|2,0,1]=4 3431 B13R0.2 C=CCCCCCCCN(C)CCC 2230a_100000747261_100012355270 [0,1,0,0,0,0|2,0,0]=3 3432 B13R0.2 C=CCCCCCCCN(C)CCC 269982a_100000747261_100012355270 [0,1,0,0,0,0|2,0,0]=3 3433 B13R0.2 C=CCCCCCCCN(C)CCO 2230a_100000210263_100012355270 [0,1,0,0,0,0|3,0,0]=4 3434 B13R0.2 C=CCCCCCCCN(C)CCO 269982a_100000210263_100012355270 [0,1,0,0,0,0|3,0,0]=4 3435 B13R0.2 C=CCCCCCCNC(C)CCC 2230a_100000741246_100011215473 [0,1,0,0,0,0|2,0,0]=3 3436 B13R0.2 C=CCCCCCCN[C@H](C)CCO 2230a_100000706166_100011215473 [0,1,0,0,0,0|3,0,0]=4 3437 B13R0.2 C=CCCCCCCN[C@H](C)CCO 34a_100000706166_100011215473 [0,1,0,0,0,0|3,0,0]=4 3438 B13R0.2 C=CCCCCCCN[C@H](C)COC 2230a_100000764878_100011215473 [0,1,0,0,0,0|3,0,0]=4 3439 B13R0.2 C=CCCCCCCOC(C)CCBr 34a_100012276601_100011215473 [0,1,0,0,0,0|3,0,0]=4 3440 B13R0.2 C=CCCCCCCOC(C)CCC 34a_100000764384_100011215473 [0,1,0,0,0,0|2,0,0]=3 3441 B13R0.2 C=CCCCCCCOC(C)CCC 34a_200011216477_100000766640 [0,1,0,0,0,0|2,0,0]=3 3442 B13R0.2 C=CCCCCCCOC(C)CCC 7a_100000764384_100011215473 [0,1,0,0,0,0|2,0,0]=3 3443 B13R0.2 C=CCCCCCCOC(C)CCC 7a_200011216477_100000766640 [0,1,0,0,0,0|2,0,0]=3 3444 B13R0.2 C=CCCCCCCOC(C)CCO 34a_200011216477_100009893172 [0,1,0,0,0,0|3,0,0]=4 3445 B13R0.2 C=CCCCCCCOC(C)CCO 7a_200011216477_100009893172 [0,1,0,0,0,0|3,0,0]=4 3446 B13R0.2 C=CCCCCCCOC(C)COC 34a_200011216477_100000765312 [0,1,0,0,0,0|3,0,0]=4 3447 B13R0.2 C=CCCCCCCOC(C)COC 7a_200011216477_100000765312 [0,1,0,0,0,0|3,0,0]=4 3448 B13R0.2 C=CCCCCCCO[C@H](C)COC 34a_100011934205_100011215473 [0,1,0,0,0,0|3,0,0]=4 3449 B13R0.2 C=CCCCCCCSC(C)CCC 62a_100000766640_100011215473 [0,1,0,0,0,0|2,0,0]=3 3450 B13R0.2 C=CCCCCCCSC(C)CCC 62a_100011215473_100000766640 [0,1,0,0,0,0|2,0,0]=3 3451 B13R0.2 C=CCCCCCCSC(C)CCO 62a_100009893172_100011215473 [0,1,0,0,0,0|3,0,0]=4 3452 B13R0.2 C=CCCCCCCSC(C)CCO 62a_100011215473_100009893172 [0,1,0,0,0,0|3,0,0]=4 3453 B13R0.2 C=CCCCCCCSC(C)COC 62a_100000765312_100011215473 [0,1,0,0,0,0|3,0,0]=4 3454 B13R0.2 C=CCCCCCCSC(C)COC 62a_100011215473_100000765312 [0,1,0,0,0,0|3,0,0]=4 3455 B13R0.2 C=CCCCCCNCC(O)COC 2230a_100000756049_100000700193 [0,1,0,0,0,0|3,0,0]=4 3456 B13R0.2 C=CCCCCCNCC(O)COC 34a_100000756049_100000700193 [0,1,0,0,0,0|3,0,0]=4 3457 B13R0.2 C=CCCCCCOCC(=O)CCC 7a_100011216702_100000747444 [0,1,0,0,0,0|2,0,1]=4 3458 B13R0.2 C=CCCCCCOCC(C)CCC 34a_100000688023_100000700193 [0,1,0,0,0,0|2,0,0]=3 3459 B13R0.2 C=CCCCCCOCC(C)CCC 34a_100011216702_100011216630 [0,1,0,0,0,0|2,0,0]=3 3460 B13R0.2 C=CCCCCCOCC(C)CCC 7a_100000688023_100000700193 [0,1,0,0,0,0|2,0,0]=3 3461 B13R0.2 C=CCCCCCOCC(C)CCC 7a_100011216702_100011216630 [0,1,0,0,0,0|2,0,0]=3 3462 B13R0.2 C=CCCCCCOCC(C)CCN 34a_106354213184_100000700193 [0,1,0,0,0,0|3,0,0]=4 3463 B13R0.2 C=CCCCCCOCC(N)COC 34a_100000724102_100000700193 [0,1,0,0,0,0|3,0,0]=4 3464 B13R0.2 C=CCCCCCOCC(O)COC 34a_100011216702_100011215053 [0,1,0,0,0,0|3,0,0]=4 3465 B13R0.2 C=CCCCCCOCC(O)COC 7a_100011216702_100011215053 [0,1,0,0,0,0|3,0,0]=4 3466 B13R0.2 C=CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000700193 [0,1,0,0,0,0|2,0,0]=3 3467 B13R0.2 C=CCCCCCSCC(=O)CCC 62a_100000700193_100000747444 [0,1,0,0,0,0|2,0,1]=4 3468 B13R0.2 C=CCCCCCSCC(=O)CCC 62a_100000747444_100000700193 [0,1,0,0,0,0|2,0,1]=4 3469 B13R0.2 C=CCCCCCSCC(C)CCC 62a_100000700193_100011216630 [0,1,0,0,0,0|2,0,0]=3 3470 B13R0.2 C=CCCCCCSCC(C)CCC 62a_100011216630_100000700193 [0,1,0,0,0,0|2,0,0]=3 3471 B13R0.2 C=CCCCCCSCC(O)COC 62a_100000700193_100011215053 [0,1,0,0,0,0|3,0,0]=4 3472 B13R0.2 C=CCCCCCSCC(O)COC 62a_100011215053_100000700193 [0,1,0,0,0,0|3,0,0]=4 3473 B13R0.2 C=CCCCCOCCC(C)CCC 34a_100011217855_100011215482 [0,1,0,0,0,0|2,0,0]=3 3474 B13R0.2 C=CCCCCOCCC(C)CCC 7a_100011217855_100011215482 [0,1,0,0,0,0|2,0,0]=3 3475 B13R0.2 C=CCCCCOCC[C@@H](N)CCC 34a_100015193777_100011215482 [0,1,0,0,0,0|2,0,0]=3 3476 B13R0.2 C=CCCCOCCCC(C)CCC 34a_100011713154_100000757094 [0,1,0,0,0,0|2,0,0]=3 3477 B13R0.2 C=CCCCOCCCC(C)CCC 7a_100011713154_100000757094 [0,1,0,0,0,0|2,0,0]=3 3478 B13R0.2 C=CCN(C)CCCCCCCCC 2230a_100000225617_100011214924 [0,1,0,0,0,0|2,0,0]=3 3479 B13R0.2 C=CCN(C)CCCCCCCCC 2230a_100000232482_100000210623 [0,1,0,0,0,0|2,0,0]=3 3480 B13R0.2 C=CCN(C)CCCCCCCCC 269982a_100000225617_100000210670 [0,1,0,0,0,0|2,0,0]=3 3481 B13R0.2 C=CCN(C)CCCCCCCCC 269982a_100000232482_100000210623 [0,1,0,0,0,0|2,0,0]=3 3482 B13R0.2 C=CCN(C)CCCCCCCCO 2230a_100000225617_100000033203 [0,1,0,0,0,0|3,0,0]=4 3483 B13R0.2 C=CCN(C)CCCCCCCCO 269982a_100000225617_100000033203 [0,1,0,0,0,0|3,0,0]=4 3484 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 34a_100000731007_100000210759 [0,1,0,0,0,0|2,0,0]=3 3485 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 7a_100000731007_100000210759 [0,1,0,0,0,0|2,0,0]=3 3486 B13R0.2 C=CC[C@@H](C)OCCCCCCCO 34a_100000731007_100000760002 [0,1,0,0,0,0|3,0,0]=4 3487 B13R0.2 C=CC[C@@H](C)OCCCCCCCO 7a_100000731007_100000760002 [0,1,0,0,0,0|3,0,0]=4 3488 B13R0.2 C=CC[C@@H](C)OCCCCCCOC 34a_100000731007_100011998445 [0,1,0,0,0,0|3,0,0]=4 3489 B13R0.2 C=CC[C@@H](C)OCCCCCCOC 7a_100000731007_100011998445 [0,1,0,0,0,0|3,0,0]=4 3490 B13R0.2 C=CC[C@@H](N)COCCCCCCC 34a_100020615467_100000210614 [0,1,0,0,0,0|2,0,0]=3 3491 B13R0.2 C=CC[C@@H](N)COCCCCCCF 34a_100020615467_100015922095 [0,1,0,0,0,0|3,0,0]=4 3492 B13R0.2 C=CC[C@@H](N)COCCCCCCO 34a_100020615467_100000766143 [0,1,0,0,0,0|3,0,0]=4 3493 B13R0.2 C=CC[C@@H](N)COCCOCCCC 34a_100020615467_100000743108 [0,1,0,0,0,0|3,0,0]=4 3494 B13R0.2 C=COCCCCOCC(C)CCC 34a_100000031558_100011216630 [0,1,0,0,0,0|3,0,0]=4 3495 B13R0.2 C=COCCCCOCC(C)CCC 7a_100000031558_100011216630 [0,1,0,0,0,0|3,0,0]=4 3496 B13R0.2 C=COCCOCCCC(C)CCC 34a_100011713154_100000039644 [0,1,0,0,0,0|3,0,0]=4 3497 B13R0.2 C=COCCOCCCC(C)CCC 7a_100011713154_100000039644 [0,1,0,0,0,0|3,0,0]=4 3498 B13R0.2 CC=CC(=O)CCCCCCCCC 1458a_100000210699_100000210670 [0,1,0,0,0,0|1,0,2]=4 3499 B13R0.2 CCCC(=O)CCCCCCCCO 1458a_100000211992_100000033203 [0,1,0,0,0,0|0,0,3]=4 3500 B13R0.2 CCCC(=O)CSCCCCCC=O 62a_100000139337_100000747444 [0,1,0,0,0,0|1,0,1]=3 3501 B13R0.2 CCCC(=O)CSCCCCCC=O 62a_100000747444_100000139337 [0,1,0,0,0,0|1,0,1]=3 3502 B13R0.2 CCCC(=O)OCSCCCCC=O 62a_100000139335_100000034017 [0,1,0,0,0,0|2,0,1]=4 3503 B13R0.2 CCCC(C)CCCOCCCC#N 7a_100011713154_100000687738 [0,1,0,0,0,0|2,0,1]=4 3504 B13R0.2 CCCC(C)CCCOCCCC=O 7a_100011713154_200011292268 [0,1,0,0,0,0|1,0,0]=2 3505 B13R0.2 CCCC(C)CCCOCCCCF 34a_100011713154_100000729493 [0,1,0,0,0,0|2,0,1]=4 3506 B13R0.2 CCCC(C)CCCOCCCCF 7a_100011713154_100000729493 [0,1,0,0,0,0|2,0,1]=4 3507 B13R0.2 CCCC(C)CCCOCCCCO 34a_100011713154_100011216708 [0,1,0,0,0,0|1,0,2]=4 3508 B13R0.2 CCCC(C)CCCOCCCCO 7a_100011713154_100000210776 [0,1,0,0,0,0|1,0,2]=4 3509 B13R0.2 CCCC(C)CCCOCCCOC 34a_100011713154_100000740836 [0,1,0,0,0,0|3,0,0]=4 3510 B13R0.2 CCCC(C)CCCOCCCOC 7a_100011713154_100000740836 [0,1,0,0,0,0|3,0,0]=4 3511 B13R0.2 CCCC(C)CCOCCCCC#N 7a_100011217855_100000211819 [0,1,0,0,0,0|2,0,1]=4 3512 B13R0.2 CCCC(C)CCOCCCCC=O 7a_100011217855_100000139335 [0,1,0,0,0,0|1,0,0]=2 3513 B13R0.2 CCCC(C)CCOCCCCCF 34a_100011217855_100000729378 [0,1,0,0,0,0|2,0,1]=4 3514 B13R0.2 CCCC(C)CCOCCCCCF 7a_100011217855_100000729378 [0,1,0,0,0,0|2,0,1]=4 3515 B13R0.2 CCCC(C)CCOCCCCCO 34a_100011217855_100000746330 [0,1,0,0,0,0|1,0,2]=4 3516 B13R0.2 CCCC(C)CCOCCCCCO 7a_100011217855_100000746330 [0,1,0,0,0,0|1,0,2]=4 3517 B13R0.2 CCCC(C)CCOCCCCOC 34a_100011217855_100000755781 [0,1,0,0,0,0|3,0,0]=4 3518 B13R0.2 CCCC(C)CCOCCCCOC 7a_100011217855_100000730899 [0,1,0,0,0,0|3,0,0]=4 3519 B13R0.2 CCCC(C)CNCCCCCC#N 270004a_100000061152_100000243154 [0,1,0,0,0,0|2,0,1]=4 3520 B13R0.2 CCCC(C)CNCCCCCCO 2230a_100000686447_100011216630 [0,1,0,0,0,0|1,0,2]=4 3521 B13R0.2 CCCC(C)CNCCCCCCO 270004a_100000686447_100000243154 [0,1,0,0,0,0|1,0,2]=4 3522 B13R0.2 CCCC(C)CNCCCCCCO 34a_100000686447_100011216630 [0,1,0,0,0,0|1,0,2]=4 3523 B13R0.2 CCCC(C)CNCCCCCOC 2230a_100000747528_100011216630 [0,1,0,0,0,0|3,0,0]=4 3524 B13R0.2 CCCC(C)CNCCCCCOC 270004a_100000747528_100000243154 [0,1,0,0,0,0|3,0,0]=4 3525 B13R0.2 CCCC(C)CNCCCCCOC 34a_100000747528_100011216630 [0,1,0,0,0,0|3,0,0]=4 3526 B13R0.2 CCCC(C)COCCCCCC#N 7a_100000688023_100009813376 [0,1,0,0,0,0|2,0,1]=4 3527 B13R0.2 CCCC(C)COCCCCCC=O 7a_100000688023_100000139337 [0,1,0,0,0,0|1,0,0]=2 3528 B13R0.2 CCCC(C)COCCCCCCBr 34a_100011215345_100011216630 [0,1,0,0,0,0|2,0,1]=4 3529 B13R0.2 CCCC(C)COCCCCCCBr 7a_100011215345_100011216630 [0,1,0,0,0,0|2,0,1]=4 3530 B13R0.2 CCCC(C)COCCCCCCCl 34a_100000766143_100011216630 [0,1,0,0,0,0|2,0,1]=4 3531 B13R0.2 CCCC(C)COCCCCCCCl 7a_100000766143_100011216630 [0,1,0,0,0,0|2,0,1]=4 3532 B13R0.2 CCCC(C)COCCCCCCF 34a_100000688023_100015922095 [0,1,0,0,0,0|2,0,1]=4 3533 B13R0.2 CCCC(C)COCCCCCCF 34a_100000732779_100011216630 [0,1,0,0,0,0|2,0,1]=4 3534 B13R0.2 CCCC(C)COCCCCCCF 7a_100000688023_100015922095 [0,1,0,0,0,0|2,0,1]=4 3535 B13R0.2 CCCC(C)COCCCCCCF 7a_100000732779_100011216630 [0,1,0,0,0,0|2,0,1]=4 3536 B13R0.2 CCCC(C)COCCCCCCN 34a_100000686447_100011216630 [0,1,0,0,0,0|2,0,1]=4 3537 B13R0.2 CCCC(C)COCCCCCCO 34a_100000688023_100000766143 [0,1,0,0,0,0|1,0,2]=4 3538 B13R0.2 CCCC(C)COCCCCCCO 7a_100000688023_100000766143 [0,1,0,0,0,0|1,0,2]=4 3539 B13R0.2 CCCC(C)COCCCCCNC 34a_100000722520_100011216630 [0,1,0,0,0,0|3,0,0]=4 3540 B13R0.2 CCCC(C)CSCCCCCC#N 62a_100009813376_100011216630 [0,1,0,0,0,0|2,0,1]=4 3541 B13R0.2 CCCC(C)CSCCCCCC#N 62a_100011216630_100009813376 [0,1,0,0,0,0|2,0,1]=4 3542 B13R0.2 CCCC(C)CSCCCCCC=O 62a_100000139337_100011216630 [0,1,0,0,0,0|1,0,0]=2 3543 B13R0.2 CCCC(C)CSCCCCCC=O 62a_100011216630_100000139337 [0,1,0,0,0,0|1,0,0]=2 3544 B13R0.2 CCCC(C)CSCCCCCCF 62a_100011216630_100015922095 [0,1,0,0,0,0|2,0,1]=4 3545 B13R0.2 CCCC(C)CSCCCCCCF 62a_100015922095_100011216630 [0,1,0,0,0,0|2,0,1]=4 3546 B13R0.2 CCCC(C)CSCCCCCCO 62a_100000766143_100011216630 [0,1,0,0,0,0|1,0,2]=4 3547 B13R0.2 CCCC(C)CSCCCCCCO 62a_100011216630_100000766143 [0,1,0,0,0,0|1,0,2]=4 3548 B13R0.2 CCCC(C)NCCCCCCC#N 2230a_100000741246_100009813337 [0,1,0,0,0,0|2,0,1]=4 3549 B13R0.2 CCCC(C)NCCCCCCCO 2230a_100000741246_100000760002 [0,1,0,0,0,0|1,0,2]=4 3550 B13R0.2 CCCC(C)NCCCCCCCO 2230a_100011996573_100000766640 [0,1,0,0,0,0|1,0,2]=4 3551 B13R0.2 CCCC(C)NCCCCCCCO 270004a_100011996573_100000211909 [0,1,0,0,0,0|1,0,2]=4 3552 B13R0.2 CCCC(C)NCCCCCCCO 34a_100011996573_100000766640 [0,1,0,0,0,0|1,0,2]=4 3553 B13R0.2 CCCC(C)NCCCCCCOC 2230a_100000741246_100011998445 [0,1,0,0,0,0|3,0,0]=4 3554 B13R0.2 CCCC(C)OCCCCCCC#N 7a_100000764384_100009813337 [0,1,0,0,0,0|2,0,1]=4 3555 B13R0.2 CCCC(C)OCCCCCCCBr 34a_100000760002_100000766640 [0,1,0,0,0,0|2,0,1]=4 3556 B13R0.2 CCCC(C)OCCCCCCCBr 7a_100000760002_100000766640 [0,1,0,0,0,0|2,0,1]=4 3557 B13R0.2 CCCC(C)OCCCCCCCN 34a_100011996573_100000766640 [0,1,0,0,0,0|2,0,1]=4 3558 B13R0.2 CCCC(C)OCCCCCCCO 34a_100000764384_100000760002 [0,1,0,0,0,0|1,0,2]=4 3559 B13R0.2 CCCC(C)OCCCCCCCO 7a_100000764384_100000760002 [0,1,0,0,0,0|1,0,2]=4 3560 B13R0.2 CCCC(C)OCCCCCCOC 34a_100000764384_100011998445 [0,1,0,0,0,0|3,0,0]=4 3561 B13R0.2 CCCC(C)OCCCCCCOC 34a_200012092642_100000766640 [0,1,0,0,0,0|3,0,0]=4 3562 B13R0.2 CCCC(C)OCCCCCCOC 7a_100000764384_100011998445 [0,1,0,0,0,0|3,0,0]=4 3563 B13R0.2 CCCC(C)OCCCCCCOC 7a_200012092642_100000766640 [0,1,0,0,0,0|3,0,0]=4 3564 B13R0.2 CCCC(C)SCCCCCCC#N 62a_100000766640_100009813337 [0,1,0,0,0,0|2,0,1]=4 3565 B13R0.2 CCCC(C)SCCCCCCC#N 62a_100009813337_100000766640 [0,1,0,0,0,0|2,0,1]=4 3566 B13R0.2 CCCC(C)SCCCCCCCO 62a_100000760002_100000766640 [0,1,0,0,0,0|1,0,2]=4 3567 B13R0.2 CCCC(C)SCCCCCCCO 62a_100000766640_100000760002 [0,1,0,0,0,0|1,0,2]=4 3568 B13R0.2 CCCC(C)SCCCCCCOC 62a_100000766640_100011998445 [0,1,0,0,0,0|3,0,0]=4 3569 B13R0.2 CCCC(C)SCCCCCCOC 62a_100011998445_100000766640 [0,1,0,0,0,0|3,0,0]=4 3570 B13R0.2 CCCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210670 [0,1,0,0,0,0|1,0,2]=4 3571 B13R0.2 CCCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210670 [0,1,0,0,0,0|1,0,2]=4 3572 B13R0.2 CCCCCCCCCC(=O)C=CI 1458a_100016256311_100000210670 [0,1,0,0,0,0|1,0,2]=4 3573 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100000210558_100011214920 [0,1,0,0,0,0|1,0,2]=4 3574 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210670 [0,1,0,0,0,0|1,0,2]=4 3575 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000210558_100000210303 [0,1,0,0,0,0|1,0,2]=4 3576 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000211992_100000210670 [0,1,0,0,0,0|1,0,2]=4 3577 B13R0.2 CCCCCCCCCC(=O)CCF 1458a_100000210558_100011217306 [0,1,0,0,0,0|1,0,2]=4 3578 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [0,1,0,0,0,0|0,0,3]=4 3579 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [0,1,0,0,0,0|0,0,3]=4 3580 B13R0.2 CCCCCCCCCC(=O)COC 1458a_100000210968_100000210670 [0,1,0,0,0,0|2,0,1]=4 3581 B13R0.2 CCCCCCCCCC(=O)CSC 1458a_100000184570_100000210670 [0,1,0,0,0,0|2,0,1]=4 3582 B13R0.2 CCCCCCCCCC(C)CNC 270004a_106832991635_200011218516 [0,1,0,0,0,0|2,0,0]=3 3583 B13R0.2 CCCCCCCCCC(C)NCC 270004a_100015525214_100011215753 [0,1,0,0,0,0|2,0,1]=4 3584 B13R0.2 CCCCCCCCCC(C)OCC 34a_100011218016_100000210202 [0,1,0,0,0,0|2,0,1]=4 3585 B13R0.2 CCCCCCCCCC(C)OCC 7a_100011218016_100000210202 [0,1,0,0,0,0|2,0,1]=4 3586 B13R0.2 CCCCCCCCCC(C)OCF 34a_100011218016_100015361967 [0,1,0,0,0,0|2,0,1]=4 3587 B13R0.2 CCCCCCCCCC(C)OCF 7a_100011218016_100015361967 [0,1,0,0,0,0|2,0,1]=4 3588 B13R0.2 CCCCCCCCCN(C)CC#N 2230a_100000232482_100011215382 [0,1,0,0,0,0|2,0,1]=4 3589 B13R0.2 CCCCCCCCCN(C)CC#N 2230a_100000748184_100011214924 [0,1,0,0,0,0|2,0,1]=4 3590 B13R0.2 CCCCCCCCCN(C)CC#N 269982a_100000232482_100011214920 [0,1,0,0,0,0|2,0,1]=4 3591 B13R0.2 CCCCCCCCCN(C)CC=O 2230a_100000232482_200015260668 [0,1,0,0,0,0|1,0,0]=2 3592 B13R0.2 CCCCCCCCCN(C)CC=O 269982a_100000232482_200015260668 [0,1,0,0,0,0|1,0,0]=2 3593 B13R0.2 CCCCCCCCCN(C)CCC 2230a_100000232482_100000210303 [0,1,0,0,0,0|2,0,1]=4 3594 B13R0.2 CCCCCCCCCN(C)CCC 2230a_100000747261_100011214924 [0,1,0,0,0,0|2,0,1]=4 3595 B13R0.2 CCCCCCCCCN(C)CCC 269982a_100000232482_100000210303 [0,1,0,0,0,0|2,0,1]=4 3596 B13R0.2 CCCCCCCCCN(C)CCC 269982a_100000747261_100000210670 [0,1,0,0,0,0|2,0,1]=4 3597 B13R0.2 CCCCCCCCCN(C)CCF 2230a_100000232482_100011217306 [0,1,0,0,0,0|2,0,1]=4 3598 B13R0.2 CCCCCCCCCN(C)CCF 269982a_100000232482_100011217306 [0,1,0,0,0,0|2,0,1]=4 3599 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000210263_100011214924 [0,1,0,0,0,0|1,0,2]=4 3600 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000232482_100000211926 [0,1,0,0,0,0|1,0,2]=4 3601 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000210263_100000210670 [0,1,0,0,0,0|1,0,2]=4 3602 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000232482_100000211926 [0,1,0,0,0,0|1,0,2]=4 3603 B13R0.2 CCCCCCCCCN(C)COC 2230a_100000232482_100000766300 [0,1,0,0,0,0|3,0,0]=4 3604 B13R0.2 CCCCCCCCCN(C)COC 269982a_100000232482_100000766300 [0,1,0,0,0,0|3,0,0]=4 3605 B13R0.2 CCCCCCCCCN(C)CSC 2230a_100000232482_100011218213 [0,1,0,0,0,0|3,0,0]=4 3606 B13R0.2 CCCCCCCCCN(C)CSC 269982a_100000232482_100011218213 [0,1,0,0,0,0|3,0,0]=4 3607 B13R0.2 CCCCCCCCNC(C)CC#N 2230a_100000229939_100009813641 [0,1,0,0,0,0|2,0,1]=4 3608 B13R0.2 CCCCCCCCNC(C)CCC 2230a_100000229939_100000766640 [0,1,0,0,0,0|2,0,1]=4 3609 B13R0.2 CCCCCCCCNC(C)CCC 2230a_100000741246_100000210759 [0,1,0,0,0,0|2,0,1]=4 3610 B13R0.2 CCCCCCCCNC(C)CCC 270004a_100000229939_100000211909 [0,1,0,0,0,0|2,0,1]=4 3611 B13R0.2 CCCCCCCCNC(C)CCC 34a_100000229939_100000766640 [0,1,0,0,0,0|2,0,1]=4 3612 B13R0.2 CCCCCCCCNC(C)CCO 2230a_100000229939_100009893172 [0,1,0,0,0,0|1,0,2]=4 3613 B13R0.2 CCCCCCCCNC(C)CCO 34a_100000229939_100009893172 [0,1,0,0,0,0|1,0,2]=4 3614 B13R0.2 CCCCCCCCNC(C)COC 2230a_100000229939_100000765312 [0,1,0,0,0,0|3,0,0]=4 3615 B13R0.2 CCCCCCCCNC(C)COC 270004a_100000229939_100000749346 [0,1,0,0,0,0|3,0,0]=4 3616 B13R0.2 CCCCCCCCNC(C)COC 34a_100000229939_100000765312 [0,1,0,0,0,0|3,0,0]=4 3617 B13R0.2 CCCCCCCCNC(C)CSC 270004a_100000229939_100011216314 [0,1,0,0,0,0|3,0,0]=4 3618 B13R0.2 CCCCCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210759 [0,1,0,0,0,0|2,0,1]=4 3619 B13R0.2 CCCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210759 [0,1,0,0,0,0|1,0,2]=4 3620 B13R0.2 CCCCCCCCN[C@H](C)CCO 34a_100000706166_100000210759 [0,1,0,0,0,0|1,0,2]=4 3621 B13R0.2 CCCCCCCCN[C@H](C)COC 2230a_100000764878_100000210759 [0,1,0,0,0,0|3,0,0]=4 3622 B13R0.2 CCCCCCCCOC(C)CC#N 7a_100000210232_100009813641 [0,1,0,0,0,0|2,0,1]=4 3623 B13R0.2 CCCCCCCCOC(C)CCBr 34a_100012276601_100000210759 [0,1,0,0,0,0|2,0,1]=4 3624 B13R0.2 CCCCCCCCOC(C)CCC 34a_100000210232_100000766640 [0,1,0,0,0,0|2,0,1]=4 3625 B13R0.2 CCCCCCCCOC(C)CCC 34a_100000764384_100000210759 [0,1,0,0,0,0|2,0,1]=4 3626 B13R0.2 CCCCCCCCOC(C)CCC 7a_100000210232_100000766640 [0,1,0,0,0,0|2,0,1]=4 3627 B13R0.2 CCCCCCCCOC(C)CCC 7a_100000764384_100000210759 [0,1,0,0,0,0|2,0,1]=4 3628 B13R0.2 CCCCCCCCOC(C)CCO 34a_100000210232_100009893172 [0,1,0,0,0,0|1,0,2]=4 3629 B13R0.2 CCCCCCCCOC(C)CCO 7a_100000210232_100009893172 [0,1,0,0,0,0|1,0,2]=4 3630 B13R0.2 CCCCCCCCOC(C)COC 34a_100000210232_100000765312 [0,1,0,0,0,0|3,0,0]=4 3631 B13R0.2 CCCCCCCCOC(C)COC 7a_100000210232_100000765312 [0,1,0,0,0,0|3,0,0]=4 3632 B13R0.2 CCCCCCCCO[C@H](C)COC 34a_100011934205_100000210759 [0,1,0,0,0,0|3,0,0]=4 3633 B13R0.2 CCCCCCCCSC(C)CC#N 62a_100000210759_100009813641 [0,1,0,0,0,0|2,0,1]=4 3634 B13R0.2 CCCCCCCCSC(C)CC#N 62a_100009813641_100000210317 [0,1,0,0,0,0|2,0,1]=4 3635 B13R0.2 CCCCCCCCSC(C)CCC 62a_100000210759_100000766640 [0,1,0,0,0,0|2,0,1]=4 3636 B13R0.2 CCCCCCCCSC(C)CCC 62a_100000766640_100000210317 [0,1,0,0,0,0|2,0,1]=4 3637 B13R0.2 CCCCCCCCSC(C)CCO 62a_100000210759_100009893172 [0,1,0,0,0,0|1,0,2]=4 3638 B13R0.2 CCCCCCCCSC(C)CCO 62a_100009893172_100000210317 [0,1,0,0,0,0|1,0,2]=4 3639 B13R0.2 CCCCCCCCSC(C)COC 62a_100000210759_100000765312 [0,1,0,0,0,0|3,0,0]=4 3640 B13R0.2 CCCCCCCCSC(C)COC 62a_100000765312_100000210317 [0,1,0,0,0,0|3,0,0]=4 3641 B13R0.2 CCCCCCCNCC(C)CCC 2230a_100000229938_100011216630 [0,1,0,0,0,0|2,0,1]=4 3642 B13R0.2 CCCCCCCNCC(C)CCC 270004a_100000229938_100000243154 [0,1,0,0,0,0|2,0,1]=4 3643 B13R0.2 CCCCCCCNCC(O)COC 2230a_100000756049_100000210681 [0,1,0,0,0,0|3,0,0]=4 3644 B13R0.2 CCCCCCCNCC(O)COC 34a_100000756049_100000210614 [0,1,0,0,0,0|3,0,0]=4 3645 B13R0.2 CCCCCCCNC[C@@H](O)CC#N 2230a_100000229938_100000001066 [0,1,0,0,0,0|2,0,1]=4 3646 B13R0.2 CCCCCCCOCC(C)CCC 34a_100000210272_100011216630 [0,1,0,0,0,0|2,0,1]=4 3647 B13R0.2 CCCCCCCOCC(C)CCC 34a_100000688023_100000210614 [0,1,0,0,0,0|2,0,1]=4 3648 B13R0.2 CCCCCCCOCC(C)CCC 7a_100000210272_100011216630 [0,1,0,0,0,0|2,0,1]=4 3649 B13R0.2 CCCCCCCOCC(C)CCC 7a_100000688023_100000210614 [0,1,0,0,0,0|2,0,1]=4 3650 B13R0.2 CCCCCCCOCC(C)CCN 34a_106354213184_100000210614 [0,1,0,0,0,0|2,0,1]=4 3651 B13R0.2 CCCCCCCOCC(N)COC 34a_100000724102_100000210614 [0,1,0,0,0,0|3,0,0]=4 3652 B13R0.2 CCCCCCCOCC(O)COC 34a_100000210272_100011215053 [0,1,0,0,0,0|3,0,0]=4 3653 B13R0.2 CCCCCCCOCC(O)COC 7a_100000210272_100011215053 [0,1,0,0,0,0|3,0,0]=4 3654 B13R0.2 CCCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210614 [0,1,0,0,0,0|2,0,1]=4 3655 B13R0.2 CCCCCCCOC[C@@H](O)CC#N 7a_100000210272_100000001066 [0,1,0,0,0,0|2,0,1]=4 3656 B13R0.2 CCCCCCCSCC(C)CCC 62a_100000210614_100011216630 [0,1,0,0,0,0|2,0,1]=4 3657 B13R0.2 CCCCCCCSCC(C)CCC 62a_100011216630_100000210316 [0,1,0,0,0,0|2,0,1]=4 3658 B13R0.2 CCCCCCCSCC(O)COC 62a_100000210614_100011215053 [0,1,0,0,0,0|3,0,0]=4 3659 B13R0.2 CCCCCCCSCC(O)COC 62a_100011215053_100000210316 [0,1,0,0,0,0|3,0,0]=4 3660 B13R0.2 CCCCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210316 [0,1,0,0,0,0|2,0,1]=4 3661 B13R0.2 CCCCCCCSC[C@@H](O)CC#N 62a_100000210614_100000001066 [0,1,0,0,0,0|2,0,1]=4 3662 B13R0.2 CCCCCCOCCC(C)CCC 34a_100011217855_100000210314 [0,1,0,0,0,0|2,0,1]=4 3663 B13R0.2 CCCCCCOCCC(C)CCC 7a_100011217855_100000210314 [0,1,0,0,0,0|2,0,1]=4 3664 B13R0.2 CCCCCCOCC[C@@H](N)CCC 34a_100015193777_100000210314 [0,1,0,0,0,0|2,0,1]=4 3665 B13R0.2 CCCCCOCCCC(C)CCC 34a_100011713154_100000718602 [0,1,0,0,0,0|2,0,1]=4 3666 B13R0.2 CCCCCOCCCC(C)CCC 7a_100011713154_100000210326 [0,1,0,0,0,0|2,0,1]=4 3667 B13R0.2 CCCN(C)CCCCCCCCO 2230a_100000747261_100000033203 [0,1,0,0,0,0|1,0,2]=4 3668 B13R0.2 CCCN(C)CCCCCCCCO 269982a_100000747261_100000033203 [0,1,0,0,0,0|1,0,2]=4 3669 B13R0.2 CCC[C@H](N)CCOCCCCCF 34a_100015193777_100000729378 [0,1,0,0,0,0|2,0,1]=4 3670 B13R0.2 CCC[C@H](N)CCOCCCCCO 34a_100015193777_100000746330 [0,1,0,0,0,0|1,0,2]=4 3671 B13R0.2 CCC[C@H](N)CCOCCCCOC 34a_100015193777_100000755781 [0,1,0,0,0,0|3,0,0]=4 3672 B13R0.2 CCC[C@H](N)COCCCCCCF 34a_100000732646_100015922095 [0,1,0,0,0,0|2,0,1]=4 3673 B13R0.2 CCC[C@H](N)COCCCCCCO 34a_100000732646_100000766143 [0,1,0,0,0,0|1,0,2]=4 3674 B13R0.2 CCNC(=O)CCSCCCCC=O 62a_100000139335_100000737597 [0,1,0,0,0,0|2,0,1]=4 3675 B13R0.2 CCNC(=O)CCSCCCCC=O 62a_100000737597_100000139335 [0,1,0,0,0,0|2,0,1]=4 3676 B13R0.2 CCNC(=O)CNCCCCCC=O 2230a_100016988866_100000139337 [0,1,0,0,0,0|2,0,1]=4 3677 B13R0.2 CCNC(=O)CSCCCCCC=O 62a_100000139337_100000183381 [0,1,0,0,0,0|2,0,1]=4 3678 B13R0.2 CCNC(=O)CSCCCCCC=O 62a_100000183381_100000139337 [0,1,0,0,0,0|2,0,1]=4 3679 B13R0.2 CCOC(=O)CCCCCOCC=O 7a_100011214988_200015260668 [0,1,0,0,0,0|2,0,1]=4 3680 B13R0.2 CCOC(=O)CCCCCSCC=O 62a_100000755133_200015260668 [0,1,0,0,0,0|2,0,1]=4 3681 B13R0.2 CCOC(=O)CCCCCSCC=O 62a_200015260668_100000755133 [0,1,0,0,0,0|2,0,1]=4 3682 B13R0.2 CCOC(=O)CCCOCCCC=O 7a_100012001163_200011292268 [0,1,0,0,0,0|2,0,1]=4 3683 B13R0.2 CCOC(=O)CCCSCCCC=O 62a_100009991533_200011292268 [0,1,0,0,0,0|2,0,1]=4 3684 B13R0.2 CCOC(=O)CCCSCCCC=O 62a_200011292268_100009991533 [0,1,0,0,0,0|2,0,1]=4 3685 B13R0.2 CCOC(=O)CCSCCCCC=O 62a_100000139335_100000765890 [0,1,0,0,0,0|2,0,1]=4 3686 B13R0.2 CCOC(=O)CCSCCCCC=O 62a_100000765890_100000139335 [0,1,0,0,0,0|2,0,1]=4 3687 B13R0.2 CCOC(=O)CSCCCCCC=O 62a_100000139337_100000188475 [0,1,0,0,0,0|2,0,1]=4 3688 B13R0.2 CCOC(=O)CSCCCCCC=O 62a_100000188475_100000139337 [0,1,0,0,0,0|2,0,1]=4 3689 B13R0.2 COCC(O)CNCCCCCC=O 2230a_100000756049_100000139337 [0,1,0,0,0,0|2,0,0]=3 3690 B13R0.2 COCC(O)CSCCCCCC=O 62a_100000139337_100011215053 [0,1,0,0,0,0|2,0,0]=3 3691 B13R0.2 COCC(O)CSCCCCCC=O 62a_100011215053_100000139337 [0,1,0,0,0,0|2,0,0]=3 3692 B13R0.2 N#CC[C@H](O)CSCCCCCC=O 62a_100000001066_100000139337 [0,1,0,0,0,0|2,0,1]=4 3693 B13R0.2 N#CC[C@H](O)CSCCCCCC=O 62a_100000139337_100000001066 [0,1,0,0,0,0|2,0,1]=4 3694 B13R0.54 C#CCCCCCCCCOC(C)C 34a_100000065265_100000210206 [0,1,0,0,0,0|2,0,1]=4 3695 B13R0.54 C#CCCCCCCCCOC(C)C 7a_100000065265_100000210206 [0,1,0,0,0,0|2,0,1]=4 3696 B13R0.54 C#CCCCCCCCNCC(=O)N 2230a_100000711301_100153394163 [0,1,0,0,0,0|1,0,2]=4 3697 B13R0.54 C#CCCCCCCCNCC(=O)O 269956a_100016091260_100153394163 [0,1,0,0,0,0|1,0,2]=4 3698 B13R0.54 C#CCCCCCCCNCC(C)C 2230a_100000210953_100153394163 [0,1,0,0,0,0|2,0,1]=4 3699 B13R0.54 C#CCCCCCCCNCC(C)C 34a_100000210953_100153394163 [0,1,0,0,0,0|2,0,1]=4 3700 B13R0.54 C#CCCCCCCCNCC(C)O 2230a_100000210904_100153394163 [0,1,0,0,0,0|2,0,1]=4 3701 B13R0.54 C#CCCCCCCCNCC(C)O 34a_100000210904_100153394163 [0,1,0,0,0,0|2,0,1]=4 3702 B13R0.54 C#CCCCCCCCOCC(=O)C 34a_100000211253_100153394163 [0,1,0,0,0,0|1,0,2]=4 3703 B13R0.54 C#CCCCCCCCOCC(=O)N 34a_100000054614_100000187820 [0,1,0,0,0,0|1,0,2]=4 3704 B13R0.54 C#CCCCCCCCOCC(=O)N 7a_100000054614_100000187820 [0,1,0,0,0,0|1,0,2]=4 3705 B13R0.54 C#CCCCCCCCOCC(=O)[O-] 34a_100000054614_100020667443 [0,1,0,0,0,0|1,0,2]=4 3706 B13R0.54 C#CCCCCCCCOCC(C)Br 34a_100012180447_100153394163 [0,1,0,0,0,0|2,0,1]=4 3707 B13R0.54 C#CCCCCCCCOCC(C)C 34a_100000054614_100000210624 [0,1,0,0,0,0|2,0,1]=4 3708 B13R0.54 C#CCCCCCCCOCC(C)C 34a_100000210257_100153394163 [0,1,0,0,0,0|2,0,1]=4 3709 B13R0.54 C#CCCCCCCCOCC(C)C 7a_100000054614_100000210760 [0,1,0,0,0,0|2,0,1]=4 3710 B13R0.54 C#CCCCCCCCOCC(C)F 34a_100015925927_100153394163 [0,1,0,0,0,0|2,0,1]=4 3711 B13R0.54 C#CCCCCCCCOCC(C)O 34a_100000054614_100011218427 [0,1,0,0,0,0|2,0,1]=4 3712 B13R0.54 C#CCCCCCCCOCC(C)O 7a_100000054614_100011218427 [0,1,0,0,0,0|2,0,1]=4 3713 B13R0.54 C#CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100153394163 [0,1,0,0,0,0|2,0,1]=4 3714 B13R0.54 C#CCCCCCCCOC[C@@H](C)N 34a_100000737577_100153394163 [0,1,0,0,0,0|2,0,1]=4 3715 B13R0.54 C#CCCCCCCCOC[C@@H](C)O 34a_100000054614_100009817552 [0,1,0,0,0,0|2,0,1]=4 3716 B13R0.54 C#CCCCCCCCOC[C@@H](C)O 7a_100000054614_100009817552 [0,1,0,0,0,0|2,0,1]=4 3717 B13R0.54 C#CCCCCCCCSCC(=O)N 62a_100000747473_100153394163 [0,1,0,0,0,0|1,0,2]=4 3718 B13R0.54 C#CCCCCCCCSCC(=O)N 62a_100153394163_100000747473 [0,1,0,0,0,0|1,0,2]=4 3719 B13R0.54 C#CCCCCCCCSCC(=O)[O-] 62a_100020667443_100153394163 [0,1,0,0,0,0|1,0,2]=4 3720 B13R0.54 C#CCCCCCCCSCC(=O)[O-] 62a_100153394163_100020667443 [0,1,0,0,0,0|1,0,2]=4 3721 B13R0.54 C#CCCCCCCCSCC(C)C 62a_100000210624_100153394163 [0,1,0,0,0,0|2,0,1]=4 3722 B13R0.54 C#CCCCCCCCSCC(C)C 62a_100153394163_100000210760 [0,1,0,0,0,0|2,0,1]=4 3723 B13R0.54 C#CCCCCCCCSCC(C)O 62a_100011218427_100153394163 [0,1,0,0,0,0|2,0,1]=4 3724 B13R0.54 C#CCCCCCCCSCC(C)O 62a_100153394163_100011218427 [0,1,0,0,0,0|2,0,1]=4 3725 B13R0.54 C#CCCCCCCCSC[C@@H](C)O 62a_100009817552_100153394163 [0,1,0,0,0,0|2,0,1]=4 3726 B13R0.54 C#CCCCCCCCSC[C@@H](C)O 62a_100153394163_100009817552 [0,1,0,0,0,0|2,0,1]=4 3727 B13R0.54 C#CCCCCCCNCCC(C)O 2230a_200000755665_100012276617 [0,1,0,0,0,0|2,0,1]=4 3728 B13R0.54 C#CCCCCCCOCCC(=O)C 34a_100000759926_100012276617 [0,1,0,0,0,0|1,0,2]=4 3729 B13R0.54 C#CCCCCCCOCCC(=O)C 7a_100000759926_100012276617 [0,1,0,0,0,0|1,0,2]=4 3730 B13R0.54 C#CCCCCCCOCCC(=O)C 7a_100011217361_100000053229 [0,1,0,0,0,0|1,0,2]=4 3731 B13R0.54 C#CCCCCCCOCCC(=O)N 34a_100000757172_100012276617 [0,1,0,0,0,0|1,0,2]=4 3732 B13R0.54 C#CCCCCCCOCCC(=O)N 34a_100011217361_100000731001 [0,1,0,0,0,0|1,0,2]=4 3733 B13R0.54 C#CCCCCCCOCCC(=O)N 7a_100000757172_100012276617 [0,1,0,0,0,0|1,0,2]=4 3734 B13R0.54 C#CCCCCCCOCCC(=O)N 7a_100011217361_100000744528 [0,1,0,0,0,0|1,0,2]=4 3735 B13R0.54 C#CCCCCCCOCCC(C)Br 34a_100009893172_100012276617 [0,1,0,0,0,0|2,0,1]=4 3736 B13R0.54 C#CCCCCCCOCCC(C)C 34a_100000210254_100012276617 [0,1,0,0,0,0|2,0,1]=4 3737 B13R0.54 C#CCCCCCCOCCC(C)C 34a_100011217361_100000210312 [0,1,0,0,0,0|2,0,1]=4 3738 B13R0.54 C#CCCCCCCOCCC(C)C 7a_100000210254_100012276617 [0,1,0,0,0,0|2,0,1]=4 3739 B13R0.54 C#CCCCCCCOCCC(C)C 7a_100011217361_100000210626 [0,1,0,0,0,0|2,0,1]=4 3740 B13R0.54 C#CCCCCCCOCCC(C)O 34a_100011217361_100012276601 [0,1,0,0,0,0|2,0,1]=4 3741 B13R0.54 C#CCCCCCCOCCC(C)O 7a_100011217361_100012276601 [0,1,0,0,0,0|2,0,1]=4 3742 B13R0.54 C#CCCCCCCOCC[C@@H](C)N 34a_100000706166_100012276617 [0,1,0,0,0,0|2,0,1]=4 3743 B13R0.54 C#CCCCCCCSCCC(=O)C 62a_100000053229_100012276617 [0,1,0,0,0,0|1,0,2]=4 3744 B13R0.54 C#CCCCCCCSCCC(=O)C 62a_100012276617_100000053229 [0,1,0,0,0,0|1,0,2]=4 3745 B13R0.54 C#CCCCCCCSCCC(=O)N 62a_100000744528_100012276617 [0,1,0,0,0,0|1,0,2]=4 3746 B13R0.54 C#CCCCCCCSCCC(=O)N 62a_100012276617_100000744528 [0,1,0,0,0,0|1,0,2]=4 3747 B13R0.54 C#CCCCCCCSCCC(C)C 62a_100000210312_100012276617 [0,1,0,0,0,0|2,0,1]=4 3748 B13R0.54 C#CCCCCCCSCCC(C)C 62a_100012276617_100000210312 [0,1,0,0,0,0|2,0,1]=4 3749 B13R0.54 C#CCCCCCCSCCC(C)O 62a_100012276601_100012276617 [0,1,0,0,0,0|2,0,1]=4 3750 B13R0.54 C#CCCCCCCSCCC(C)O 62a_100012276617_100012276601 [0,1,0,0,0,0|2,0,1]=4 3751 B13R0.54 C#CCCCCCNCCCC(=O)N 34a_100000739312_100012094781 [0,1,0,0,0,0|1,0,2]=4 3752 B13R0.54 C#CCCCCCNCCCC(C)C 2230a_200000737386_100012094781 [0,1,0,0,0,0|2,0,1]=4 3753 B13R0.54 C#CCCCCCNCCCC(C)C 34a_200000737386_100012094781 [0,1,0,0,0,0|2,0,1]=4 3754 B13R0.54 C#CCCCCCOCCCC(=O)C 34a_100000759063_100012094781 [0,1,0,0,0,0|1,0,2]=4 3755 B13R0.54 C#CCCCCCOCCCC(=O)C 34a_100000766912_100000685027 [0,1,0,0,0,0|1,0,2]=4 3756 B13R0.54 C#CCCCCCOCCCC(=O)C 7a_100000759063_100012094781 [0,1,0,0,0,0|1,0,2]=4 3757 B13R0.54 C#CCCCCCOCCCC(=O)C 7a_100000766912_100011215641 [0,1,0,0,0,0|1,0,2]=4 3758 B13R0.54 C#CCCCCCOCCCC(=O)N 34a_100000766912_100102525003 [0,1,0,0,0,0|1,0,2]=4 3759 B13R0.54 C#CCCCCCOCCCC(=O)N 7a_100000766912_100102525003 [0,1,0,0,0,0|1,0,2]=4 3760 B13R0.54 C#CCCCCCOCCCC(C)C 34a_100000210774_100012094781 [0,1,0,0,0,0|2,0,1]=4 3761 B13R0.54 C#CCCCCCOCCCC(C)C 34a_100000766912_100011214892 [0,1,0,0,0,0|2,0,1]=4 3762 B13R0.54 C#CCCCCCOCCCC(C)C 7a_100000210774_100012094781 [0,1,0,0,0,0|2,0,1]=4 3763 B13R0.54 C#CCCCCCOCCCC(C)C 7a_100000766912_100011214892 [0,1,0,0,0,0|2,0,1]=4 3764 B13R0.54 C#CCCCCCOCCCC(C)O 34a_100000766912_200000718107 [0,1,0,0,0,0|2,0,1]=4 3765 B13R0.54 C#CCCCCCOCCCC(C)O 7a_100000766912_200000718107 [0,1,0,0,0,0|2,0,1]=4 3766 B13R0.54 C#CCCCCCSCCCC(=O)C 62a_100011215641_100012094781 [0,1,0,0,0,0|1,0,2]=4 3767 B13R0.54 C#CCCCCCSCCCC(=O)C 62a_100012094781_100011215641 [0,1,0,0,0,0|1,0,2]=4 3768 B13R0.54 C#CCCCCCSCCCC(=O)N 62a_100012094781_100102525003 [0,1,0,0,0,0|1,0,2]=4 3769 B13R0.54 C#CCCCCCSCCCC(=O)N 62a_100102525003_100012094781 [0,1,0,0,0,0|1,0,2]=4 3770 B13R0.54 C#CCCCCCSCCCC(C)C 62a_100011214892_100012094781 [0,1,0,0,0,0|2,0,1]=4 3771 B13R0.54 C#CCCCCCSCCCC(C)C 62a_100012094781_100011214892 [0,1,0,0,0,0|2,0,1]=4 3772 B13R0.54 C#CCCCCCSCCCC(C)O 62a_100012094781_200000718107 [0,1,0,0,0,0|2,0,1]=4 3773 B13R0.54 C#CCCCCCSCCCC(C)O 62a_200000718107_100012094781 [0,1,0,0,0,0|2,0,1]=4 3774 B13R0.54 C#CCCCCNCCCCC(=O)C 34a_100000706060_100009817362 [0,1,0,0,0,0|1,0,2]=4 3775 B13R0.54 C#CCCCCNCCCCC(=O)N 34a_100000696515_100010269958 [0,1,0,0,0,0|1,0,2]=4 3776 B13R0.54 C#CCCCCNCCCCC(C)C 2230a_100000706060_100011216152 [0,1,0,0,0,0|2,0,1]=4 3777 B13R0.54 C#CCCCCNCCCCC(C)C 34a_100000706060_100011216152 [0,1,0,0,0,0|2,0,1]=4 3778 B13R0.54 C#CCCCCOCCCCC(=O)C 34a_100000766709_100009817362 [0,1,0,0,0,0|1,0,2]=4 3779 B13R0.54 C#CCCCCOCCCCC(=O)C 7a_100000766709_100000735457 [0,1,0,0,0,0|1,0,2]=4 3780 B13R0.54 C#CCCCCOCCCCC(=O)N 34a_100012022536_100010269958 [0,1,0,0,0,0|1,0,2]=4 3781 B13R0.54 C#CCCCCOCCCCC(=O)N 7a_100012022536_100010269958 [0,1,0,0,0,0|1,0,2]=4 3782 B13R0.54 C#CCCCCOCCCCC(C)C 34a_100000766709_100011216152 [0,1,0,0,0,0|2,0,1]=4 3783 B13R0.54 C#CCCCCOCCCCC(C)C 34a_100011214890_100010269958 [0,1,0,0,0,0|2,0,1]=4 3784 B13R0.54 C#CCCCCOCCCCC(C)C 7a_100000766709_100011216152 [0,1,0,0,0,0|2,0,1]=4 3785 B13R0.54 C#CCCCCOCCCCC(C)C 7a_100011214890_100010269958 [0,1,0,0,0,0|2,0,1]=4 3786 B13R0.54 C#CCCCCSCCCCC(=O)C 62a_100000735457_100010269958 [0,1,0,0,0,0|1,0,2]=4 3787 B13R0.54 C#CCCCCSCCCCC(=O)C 62a_100010269958_100000735457 [0,1,0,0,0,0|1,0,2]=4 3788 B13R0.54 C#CCCCCSCCCCC(C)C 62a_100010269958_100011216152 [0,1,0,0,0,0|2,0,1]=4 3789 B13R0.54 C#CCCCCSCCCCC(C)C 62a_100011216152_100010269958 [0,1,0,0,0,0|2,0,1]=4 3790 B13R0.54 C#CCCCNCCCCCC(=O)N 34a_100000718082_100009817443 [0,1,0,0,0,0|1,0,2]=4 3791 B13R0.54 C#CCCCNCCCCCC(C)C 2230a_100011290863_100000731252 [0,1,0,0,0,0|2,0,1]=4 3792 B13R0.54 C#CCCCNCCCCCC(C)C 34a_100000718082_100000210682 [0,1,0,0,0,0|2,0,1]=4 3793 B13R0.54 C#CCCCNCCCCCC(C)C 34a_100011290863_100000695029 [0,1,0,0,0,0|2,0,1]=4 3794 B13R0.54 C#CCCCOCCCCCC(=O)N 34a_100000123541_100000695029 [0,1,0,0,0,0|1,0,2]=4 3795 B13R0.54 C#CCCCOCCCCCC(=O)N 34a_100000215630_100009817443 [0,1,0,0,0,0|1,0,2]=4 3796 B13R0.54 C#CCCCOCCCCCC(=O)N 7a_100000123541_100011215417 [0,1,0,0,0,0|1,0,2]=4 3797 B13R0.54 C#CCCCOCCCCCC(=O)N 7a_100000215630_100009817443 [0,1,0,0,0,0|1,0,2]=4 3798 B13R0.54 C#CCCCOCCCCCC(=O)[O-] 7a_100102619762_100011215417 [0,1,0,0,0,0|1,0,2]=4 3799 B13R0.54 C#CCCCOCCCCCC(C)C 34a_100000215630_100000210682 [0,1,0,0,0,0|2,0,1]=4 3800 B13R0.54 C#CCCCOCCCCCC(C)C 34a_100011995859_100000695029 [0,1,0,0,0,0|2,0,1]=4 3801 B13R0.54 C#CCCCOCCCCCC(C)C 7a_100000215630_100000210682 [0,1,0,0,0,0|2,0,1]=4 3802 B13R0.54 C#CCCCOCCCCCC(C)C 7a_100011995859_100011215417 [0,1,0,0,0,0|2,0,1]=4 3803 B13R0.54 C#CCCCSCCCCCC(=O)N 62a_100009817443_100011215417 [0,1,0,0,0,0|1,0,2]=4 3804 B13R0.54 C#CCCCSCCCCCC(=O)N 62a_100011215417_100009817443 [0,1,0,0,0,0|1,0,2]=4 3805 B13R0.54 C#CCCCSCCCCCC(C)C 62a_100000210682_100011215417 [0,1,0,0,0,0|2,0,1]=4 3806 B13R0.54 C#CCCCSCCCCCC(C)C 62a_100011215417_100000210682 [0,1,0,0,0,0|2,0,1]=4 3807 B13R0.54 C#CCCNCCCCCCC(C)C 2230a_100000211014_100000688953 [0,1,0,0,0,0|2,0,1]=4 3808 B13R0.54 C#CCCNCCCCCCC(C)C 34a_100000211014_100000688953 [0,1,0,0,0,0|2,0,1]=4 3809 B13R0.54 C#CCOCCCCCCCC(C)C 34a_200000210741_100000184674 [0,1,0,0,0,0|2,0,1]=4 3810 B13R0.54 C#CCOCCCCCCCC(C)C 7a_200000210741_100000038162 [0,1,0,0,0,0|2,0,1]=4 3811 B13R0.54 C/C=C/CCOCCCCCC(=O)N 34a_100016278192_100009817443 [0,1,0,0,0,0|1,0,2]=4 3812 B13R0.54 C/C=C/CCOCCCCCC(C)C 34a_100016278192_100000210682 [0,1,0,0,0,0|2,0,1]=4 3813 B13R0.54 C/C=C/CNCCCCCCC(C)C 34a_100000211014_100102629194 [0,1,0,0,0,0|2,0,1]=4 3814 B13R0.54 C=C(Br)CCOCCCCCCCC 34a_100009813270_100000210759 [0,1,0,0,0,0|2,0,0]=3 3815 B13R0.54 C=C(Br)CCOCCCCCCCO 34a_100009813270_100000760002 [0,1,0,0,0,0|3,0,0]=4 3816 B13R0.54 C=C(Br)CCOCCCCCCOC 34a_100009813270_100011998445 [0,1,0,0,0,0|3,0,0]=4 3817 B13R0.54 C=C(C)CCNCCCCCCCC 2230a_100000229939_100000730704 [0,1,0,0,0,0|2,0,0]=3 3818 B13R0.54 C=C(C)CCNCCCCCCCC 34a_100000229939_100000730704 [0,1,0,0,0,0|2,0,0]=3 3819 B13R0.54 C=C(C)CCNCCCCCCCO 2230a_100011996573_100000730704 [0,1,0,0,0,0|3,0,0]=4 3820 B13R0.54 C=C(C)CCNCCCCCCCO 34a_100011996573_100000730704 [0,1,0,0,0,0|3,0,0]=4 3821 B13R0.54 C=C(C)CCNCCCOCCCC 2230a_200000211371_100000730704 [0,1,0,0,0,0|3,0,0]=4 3822 B13R0.54 C=C(C)CCNCCCOCCCC 34a_200000211371_100000730704 [0,1,0,0,0,0|3,0,0]=4 3823 B13R0.54 C=C(C)CCOCCCCCCCBr 34a_100000760002_100000730704 [0,1,0,0,0,0|3,0,0]=4 3824 B13R0.54 C=C(C)CCOCCCCCCCBr 7a_100000760002_100000730704 [0,1,0,0,0,0|3,0,0]=4 3825 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000210232_100000730704 [0,1,0,0,0,0|2,0,0]=3 3826 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000764851_100000210759 [0,1,0,0,0,0|2,0,0]=3 3827 B13R0.54 C=C(C)CCOCCCCCCCC 7a_100000210232_100000730704 [0,1,0,0,0,0|2,0,0]=3 3828 B13R0.54 C=C(C)CCOCCCCCCCN 34a_100011996573_100000730704 [0,1,0,0,0,0|3,0,0]=4 3829 B13R0.54 C=C(C)CCOCCCCCCCO 34a_100000764851_100000760002 [0,1,0,0,0,0|3,0,0]=4 3830 B13R0.54 C=C(C)CCOCCCCCCOC 34a_100000764851_100011998445 [0,1,0,0,0,0|3,0,0]=4 3831 B13R0.54 C=C(C)CCOCCCCCCOC 34a_200012092642_100000730704 [0,1,0,0,0,0|3,0,0]=4 3832 B13R0.54 C=C(C)CCOCCCCCCOC 7a_200012092642_100000730704 [0,1,0,0,0,0|3,0,0]=4 3833 B13R0.54 C=C(C)CCOCCCOCCCC 34a_200011215613_100000730704 [0,1,0,0,0,0|3,0,0]=4 3834 B13R0.54 C=C(C)CCOCCCOCCCC 7a_200011215613_100000730704 [0,1,0,0,0,0|3,0,0]=4 3835 B13R0.54 C=C(C)CCOCCNCCCCC 34a_100000224656_100000730704 [0,1,0,0,0,0|3,0,0]=4 3836 B13R0.54 C=C(C)CCOCCOCCCCC 34a_100011215259_100000730704 [0,1,0,0,0,0|3,0,0]=4 3837 B13R0.54 C=C(C)CCOCCOCCCCC 7a_100011215259_100000730704 [0,1,0,0,0,0|3,0,0]=4 3838 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000210759_100000730704 [0,1,0,0,0,0|2,0,0]=3 3839 B13R0.54 C=C(C)CCSCCCCCCCC 62a_100000730704_100000210317 [0,1,0,0,0,0|2,0,0]=3 3840 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000730704_100000760002 [0,1,0,0,0,0|3,0,0]=4 3841 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000760002_100000730704 [0,1,0,0,0,0|3,0,0]=4 3842 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100000730704_100011998445 [0,1,0,0,0,0|3,0,0]=4 3843 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100011998445_100000730704 [0,1,0,0,0,0|3,0,0]=4 3844 B13R0.54 C=C(C)CNCCCCCCCCC 2230a_100000212291_100000748629 [0,1,0,0,0,0|2,0,0]=3 3845 B13R0.54 C=C(C)CNCCCCCCCCC 34a_100000212291_100000748629 [0,1,0,0,0,0|2,0,0]=3 3846 B13R0.54 C=C(C)CNCCCCCCCCO 2230a_102515433106_100000748629 [0,1,0,0,0,0|3,0,0]=4 3847 B13R0.54 C=C(C)CNCCCCCCCCO 34a_102515433106_100000748629 [0,1,0,0,0,0|3,0,0]=4 3848 B13R0.54 C=C(C)COCCCCCCCCBr 34a_100009813846_100000748629 [0,1,0,0,0,0|3,0,0]=4 3849 B13R0.54 C=C(C)COCCCCCCCCBr 7a_100009813846_100000748629 [0,1,0,0,0,0|3,0,0]=4 3850 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210245_100011214924 [0,1,0,0,0,0|2,0,0]=3 3851 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210712_100000748629 [0,1,0,0,0,0|2,0,0]=3 3852 B13R0.54 C=C(C)COCCCCCCCCC 7a_100000210712_100000748629 [0,1,0,0,0,0|2,0,0]=3 3853 B13R0.54 C=C(C)COCCCCCCCCCl 34a_100000033203_100000748629 [0,1,0,0,0,0|3,0,0]=4 3854 B13R0.54 C=C(C)COCCCCCCCCCl 7a_100000033203_100000748629 [0,1,0,0,0,0|3,0,0]=4 3855 B13R0.54 C=C(C)COCCCCCCCCN 34a_102515433106_100000748629 [0,1,0,0,0,0|3,0,0]=4 3856 B13R0.54 C=C(C)COCCCCCCCCO 34a_100000210245_100000033203 [0,1,0,0,0,0|3,0,0]=4 3857 B13R0.54 C=C(C)COCCCCNCCCC 34a_200011216965_100000748629 [0,1,0,0,0,0|3,0,0]=4 3858 B13R0.54 C=C(C)COCCCCOCCCC 34a_200000760531_100000748629 [0,1,0,0,0,0|3,0,0]=4 3859 B13R0.54 C=C(C)COCCCCOCCCC 7a_200000760531_100000748629 [0,1,0,0,0,0|3,0,0]=4 3860 B13R0.54 C=C(C)COCCOCCCCCC 34a_100000691444_100000748629 [0,1,0,0,0,0|3,0,0]=4 3861 B13R0.54 C=C(C)COCCOCCCCCC 7a_100000691444_100000748629 [0,1,0,0,0,0|3,0,0]=4 3862 B13R0.54 C=C(C)CSCCCCCCCCC 62a_100000748629_100000210670 [0,1,0,0,0,0|2,0,0]=3 3863 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000033203_100000211660 [0,1,0,0,0,0|3,0,0]=4 3864 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000748629_100000033203 [0,1,0,0,0,0|3,0,0]=4 3865 B13R0.54 C=C(F)CNCCCCCCCCC 2230a_100000212291_100009893438 [0,1,0,0,0,0|2,0,0]=3 3866 B13R0.54 C=C(F)CNCCCCCCCCC 34a_100000212291_100009893438 [0,1,0,0,0,0|2,0,0]=3 3867 B13R0.54 C=C(F)CNCCCCCCCCO 2230a_102515433106_100009893438 [0,1,0,0,0,0|3,0,0]=4 3868 B13R0.54 C=C(F)CNCCCCCCCCO 34a_102515433106_100009893438 [0,1,0,0,0,0|3,0,0]=4 3869 B13R0.54 C=C(F)COCCCCCCCCBr 34a_100009813846_100009893438 [0,1,0,0,0,0|3,0,0]=4 3870 B13R0.54 C=C(F)COCCCCCCCCBr 7a_100009813846_100000042424 [0,1,0,0,0,0|3,0,0]=4 3871 B13R0.54 C=C(F)COCCCCCCCCC 34a_100000210712_100009893438 [0,1,0,0,0,0|2,0,0]=3 3872 B13R0.54 C=C(F)COCCCCCCCCC 34a_200010262243_100011214924 [0,1,0,0,0,0|2,0,0]=3 3873 B13R0.54 C=C(F)COCCCCCCCCC 7a_100000210712_100000042424 [0,1,0,0,0,0|2,0,0]=3 3874 B13R0.54 C=C(F)COCCCCCCCCCl 34a_100000033203_100009893438 [0,1,0,0,0,0|3,0,0]=4 3875 B13R0.54 C=C(F)COCCCCCCCCCl 7a_100000033203_100000042424 [0,1,0,0,0,0|3,0,0]=4 3876 B13R0.54 C=C(F)COCCCCCCCCN 34a_102515433106_100009893438 [0,1,0,0,0,0|3,0,0]=4 3877 B13R0.54 C=C(F)COCCCCCCCCO 34a_200010262243_100000033203 [0,1,0,0,0,0|3,0,0]=4 3878 B13R0.54 C=C(F)COCCCCNCCCC 34a_200011216965_100009893438 [0,1,0,0,0,0|3,0,0]=4 3879 B13R0.54 C=C(F)COCCCCOCCCC 34a_200000760531_100009893438 [0,1,0,0,0,0|3,0,0]=4 3880 B13R0.54 C=C(F)COCCCCOCCCC 7a_200000760531_100000042424 [0,1,0,0,0,0|3,0,0]=4 3881 B13R0.54 C=C(F)COCCOCCCCCC 34a_100000691444_100009893438 [0,1,0,0,0,0|3,0,0]=4 3882 B13R0.54 C=C(F)COCCOCCCCCC 7a_100000691444_100000042424 [0,1,0,0,0,0|3,0,0]=4 3883 B13R0.54 C=C(F)CSCCCCCCCCC 62a_100000042424_100000210670 [0,1,0,0,0,0|2,0,0]=3 3884 B13R0.54 C=C(F)CSCCCCCCCCO 62a_100000033203_100000042424 [0,1,0,0,0,0|3,0,0]=4 3885 B13R0.54 C=C(F)CSCCCCCCCCO 62a_100000042424_100000033203 [0,1,0,0,0,0|3,0,0]=4 3886 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [0,1,0,0,0,0|0,0,2]=3 3887 B13R0.54 C=CCCCCCCCCCN(C)C 2230a_100102631434_100009814027 [0,1,0,0,0,0|2,0,0]=3 3888 B13R0.54 C=CCCCCCCCCCN(C)C 269982a_100102631434_100009814027 [0,1,0,0,0,0|2,0,0]=3 3889 B13R0.54 C=CCCCCCCCCNC(C)C 2230a_100138425928_100011933949 [0,1,0,0,0,0|2,0,0]=3 3890 B13R0.54 C=CCCCCCCCCNC(C)C 34a_100138425928_100011933949 [0,1,0,0,0,0|2,0,0]=3 3891 B13R0.54 C=CCCCCCCCCOC(C)C 34a_100000212225_100011933949 [0,1,0,0,0,0|2,0,0]=3 3892 B13R0.54 C=CCCCCCCCCOC(C)C 34a_100011215194_100000210206 [0,1,0,0,0,0|2,0,0]=3 3893 B13R0.54 C=CCCCCCCCCOC(C)C 7a_100011215194_100000210206 [0,1,0,0,0,0|2,0,0]=3 3894 B13R0.54 C=CCCCCCCCCSC(C)C 62a_100000210206_100011933949 [0,1,0,0,0,0|2,0,0]=3 3895 B13R0.54 C=CCCCCCCCCSC(C)C 62a_100011933949_100000210206 [0,1,0,0,0,0|2,0,0]=3 3896 B13R0.54 C=CCCCCCCCNCC(=O)N 2230a_100000711301_100012355270 [0,1,0,0,0,0|1,0,2]=4 3897 B13R0.54 C=CCCCCCCCNCC(=O)O 269956a_100016091260_100012355270 [0,1,0,0,0,0|1,0,2]=4 3898 B13R0.54 C=CCCCCCCCNCC(C)C 2230a_100000210953_100012355270 [0,1,0,0,0,0|2,0,0]=3 3899 B13R0.54 C=CCCCCCCCNCC(C)C 34a_100000210953_100012355270 [0,1,0,0,0,0|2,0,0]=3 3900 B13R0.54 C=CCCCCCCCNCC(C)O 2230a_100000210904_100012355270 [0,1,0,0,0,0|2,0,0]=3 3901 B13R0.54 C=CCCCCCCCNCC(C)O 34a_100000210904_100012355270 [0,1,0,0,0,0|2,0,0]=3 3902 B13R0.54 C=CCCCCCCCNCC(F)F 34a_100000765723_100012355270 [0,1,0,0,0,0|3,0,0]=4 3903 B13R0.54 C=CCCCCCCCOCC(=C)C 34a_100000210245_100012355270 [0,1,0,0,0,0|2,0,1]=4 3904 B13R0.54 C=CCCCCCCCOCC(=C)C 34a_100000730831_100000748629 [0,1,0,0,0,0|2,0,1]=4 3905 B13R0.54 C=CCCCCCCCOCC(=C)C 7a_100000730831_100000748629 [0,1,0,0,0,0|2,0,1]=4 3906 B13R0.54 C=CCCCCCCCOCC(=O)C 34a_100000211253_100012355270 [0,1,0,0,0,0|1,0,2]=4 3907 B13R0.54 C=CCCCCCCCOCC(=O)N 34a_100000730831_100000187820 [0,1,0,0,0,0|1,0,2]=4 3908 B13R0.54 C=CCCCCCCCOCC(=O)N 7a_100000730831_100000187820 [0,1,0,0,0,0|1,0,2]=4 3909 B13R0.54 C=CCCCCCCCOCC(=O)[O-] 34a_100000730831_100020667443 [0,1,0,0,0,0|1,0,2]=4 3910 B13R0.54 C=CCCCCCCCOCC(C)Br 34a_100012180447_100012355270 [0,1,0,0,0,0|2,0,0]=3 3911 B13R0.54 C=CCCCCCCCOCC(C)C 34a_100000210257_100012355270 [0,1,0,0,0,0|2,0,0]=3 3912 B13R0.54 C=CCCCCCCCOCC(C)C 34a_100000730831_100000210624 [0,1,0,0,0,0|2,0,0]=3 3913 B13R0.54 C=CCCCCCCCOCC(C)C 7a_100000730831_100000210760 [0,1,0,0,0,0|2,0,0]=3 3914 B13R0.54 C=CCCCCCCCOCC(C)F 34a_100015925927_100012355270 [0,1,0,0,0,0|2,0,0]=3 3915 B13R0.54 C=CCCCCCCCOCC(C)O 34a_100000730831_100011218427 [0,1,0,0,0,0|2,0,0]=3 3916 B13R0.54 C=CCCCCCCCOCC(C)O 7a_100000730831_100011218427 [0,1,0,0,0,0|2,0,0]=3 3917 B13R0.54 C=CCCCCCCCOCC(F)F 34a_100000730831_100011934356 [0,1,0,0,0,0|3,0,0]=4 3918 B13R0.54 C=CCCCCCCCOCC(F)F 34a_100000743014_100012355270 [0,1,0,0,0,0|3,0,0]=4 3919 B13R0.54 C=CCCCCCCCOCC(F)F 7a_100000730831_100011934356 [0,1,0,0,0,0|3,0,0]=4 3920 B13R0.54 C=CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100012355270 [0,1,0,0,0,0|2,0,0]=3 3921 B13R0.54 C=CCCCCCCCOC[C@@H](C)N 34a_100000737577_100012355270 [0,1,0,0,0,0|2,0,0]=3 3922 B13R0.54 C=CCCCCCCCOC[C@@H](C)O 34a_100000730831_100009817552 [0,1,0,0,0,0|2,0,0]=3 3923 B13R0.54 C=CCCCCCCCOC[C@@H](C)O 7a_100000730831_100009817552 [0,1,0,0,0,0|2,0,0]=3 3924 B13R0.54 C=CCCCCCCCSCC(=C)C 62a_100000748629_100012355270 [0,1,0,0,0,0|2,0,1]=4 3925 B13R0.54 C=CCCCCCCCSCC(=C)C 62a_100012355270_100000211660 [0,1,0,0,0,0|2,0,1]=4 3926 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100000747473_100012355270 [0,1,0,0,0,0|1,0,2]=4 3927 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100012355270_100000747473 [0,1,0,0,0,0|1,0,2]=4 3928 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100012355270_100020667443 [0,1,0,0,0,0|1,0,2]=4 3929 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100020667443_100012355270 [0,1,0,0,0,0|1,0,2]=4 3930 B13R0.54 C=CCCCCCCCSCC(C)C 62a_100000210624_100012355270 [0,1,0,0,0,0|2,0,0]=3 3931 B13R0.54 C=CCCCCCCCSCC(C)C 62a_100012355270_100000210760 [0,1,0,0,0,0|2,0,0]=3 3932 B13R0.54 C=CCCCCCCCSCC(C)O 62a_100011218427_100012355270 [0,1,0,0,0,0|2,0,0]=3 3933 B13R0.54 C=CCCCCCCCSCC(C)O 62a_100012355270_100011218427 [0,1,0,0,0,0|2,0,0]=3 3934 B13R0.54 C=CCCCCCCCSCC(F)F 62a_100011934356_100012355270 [0,1,0,0,0,0|3,0,0]=4 3935 B13R0.54 C=CCCCCCCCSCC(F)F 62a_100012355270_100011934356 [0,1,0,0,0,0|3,0,0]=4 3936 B13R0.54 C=CCCCCCCCSC[C@@H](C)O 62a_100009817552_100012355270 [0,1,0,0,0,0|2,0,0]=3 3937 B13R0.54 C=CCCCCCCCSC[C@@H](C)O 62a_100012355270_100009817552 [0,1,0,0,0,0|2,0,0]=3 3938 B13R0.54 C=CCCCCCCNCCC(C)O 2230a_200000755665_100011215473 [0,1,0,0,0,0|2,0,0]=3 3939 B13R0.54 C=CCCCCCCOCCC(=C)C 34a_100000764851_100011215473 [0,1,0,0,0,0|2,0,1]=4 3940 B13R0.54 C=CCCCCCCOCCC(=C)C 34a_200011216477_100000730704 [0,1,0,0,0,0|2,0,1]=4 3941 B13R0.54 C=CCCCCCCOCCC(=C)C 7a_200011216477_100000730704 [0,1,0,0,0,0|2,0,1]=4 3942 B13R0.54 C=CCCCCCCOCCC(=O)C 34a_100000759926_100011215473 [0,1,0,0,0,0|1,0,2]=4 3943 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_100000759926_100011215473 [0,1,0,0,0,0|1,0,2]=4 3944 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_200011216477_100000053229 [0,1,0,0,0,0|1,0,2]=4 3945 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_100000757172_100011215473 [0,1,0,0,0,0|1,0,2]=4 3946 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_200011216477_100000731001 [0,1,0,0,0,0|1,0,2]=4 3947 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_100000757172_100011215473 [0,1,0,0,0,0|1,0,2]=4 3948 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_200011216477_100000744528 [0,1,0,0,0,0|1,0,2]=4 3949 B13R0.54 C=CCCCCCCOCCC(C)Br 34a_100009893172_100011215473 [0,1,0,0,0,0|2,0,0]=3 3950 B13R0.54 C=CCCCCCCOCCC(C)C 34a_100000210254_100011215473 [0,1,0,0,0,0|2,0,0]=3 3951 B13R0.54 C=CCCCCCCOCCC(C)C 34a_200011216477_100000210312 [0,1,0,0,0,0|2,0,0]=3 3952 B13R0.54 C=CCCCCCCOCCC(C)C 7a_100000210254_100011215473 [0,1,0,0,0,0|2,0,0]=3 3953 B13R0.54 C=CCCCCCCOCCC(C)C 7a_200011216477_100000210626 [0,1,0,0,0,0|2,0,0]=3 3954 B13R0.54 C=CCCCCCCOCCC(C)O 34a_200011216477_100012276601 [0,1,0,0,0,0|2,0,0]=3 3955 B13R0.54 C=CCCCCCCOCCC(C)O 7a_200011216477_100012276601 [0,1,0,0,0,0|2,0,0]=3 3956 B13R0.54 C=CCCCCCCOCCC(F)F 34a_100103093639_100011215473 [0,1,0,0,0,0|3,0,0]=4 3957 B13R0.54 C=CCCCCCCOCCN(C)C 7a_200011216477_100000755713 [0,1,0,0,0,0|3,0,0]=4 3958 B13R0.54 C=CCCCCCCOCC[C@@H](C)N 34a_100000706166_100011215473 [0,1,0,0,0,0|2,0,0]=3 3959 B13R0.54 C=CCCCCCCOCOC(C)C 34a_200011216477_100000709892 [0,1,0,0,0,0|3,0,0]=4 3960 B13R0.54 C=CCCCCCCSCCC(=C)C 62a_100000730704_100011215473 [0,1,0,0,0,0|2,0,1]=4 3961 B13R0.54 C=CCCCCCCSCCC(=C)C 62a_100011215473_100000730704 [0,1,0,0,0,0|2,0,1]=4 3962 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100000053229_100011215473 [0,1,0,0,0,0|1,0,2]=4 3963 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100011215473_100000053229 [0,1,0,0,0,0|1,0,2]=4 3964 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100000744528_100011215473 [0,1,0,0,0,0|1,0,2]=4 3965 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100011215473_100000744528 [0,1,0,0,0,0|1,0,2]=4 3966 B13R0.54 C=CCCCCCCSCCC(C)C 62a_100000210312_100011215473 [0,1,0,0,0,0|2,0,0]=3 3967 B13R0.54 C=CCCCCCCSCCC(C)C 62a_100011215473_100000210312 [0,1,0,0,0,0|2,0,0]=3 3968 B13R0.54 C=CCCCCCCSCCC(C)O 62a_100011215473_100012276601 [0,1,0,0,0,0|2,0,0]=3 3969 B13R0.54 C=CCCCCCCSCCC(C)O 62a_100012276601_100011215473 [0,1,0,0,0,0|2,0,0]=3 3970 B13R0.54 C=CCCCCCCSCCN(C)C 62a_100011215473_100000755713 [0,1,0,0,0,0|3,0,0]=4 3971 B13R0.54 C=CCCCCCCSCOC(C)C 62a_100000709892_100011215473 [0,1,0,0,0,0|3,0,0]=4 3972 B13R0.54 C=CCCCCCCSCOC(C)C 62a_100011215473_100000709892 [0,1,0,0,0,0|3,0,0]=4 3973 B13R0.54 C=CCCCCCNCCCC(=O)N 34a_100000739312_100000700193 [0,1,0,0,0,0|1,0,2]=4 3974 B13R0.54 C=CCCCCCNCCCC(C)C 2230a_200000737386_100000700193 [0,1,0,0,0,0|2,0,0]=3 3975 B13R0.54 C=CCCCCCNCCCC(C)C 34a_200000737386_100000700193 [0,1,0,0,0,0|2,0,0]=3 3976 B13R0.54 C=CCCCCCNCCCS(=O)C 2230a_200000753449_100000700193 [0,1,0,0,0,0|3,0,0]=4 3977 B13R0.54 C=CCCCCCNCCOC(C)C 2230a_100000701111_100000700193 [0,1,0,0,0,0|3,0,0]=4 3978 B13R0.54 C=CCCCCCNCCOC(C)C 34a_100000701111_100000700193 [0,1,0,0,0,0|3,0,0]=4 3979 B13R0.54 C=CCCCCCNCCSC(C)C 2230a_100000731138_100000700193 [0,1,0,0,0,0|3,0,0]=4 3980 B13R0.54 C=CCCCCCNCCSC(C)C 34a_100000731138_100000700193 [0,1,0,0,0,0|3,0,0]=4 3981 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100000759063_100000700193 [0,1,0,0,0,0|1,0,2]=4 3982 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100011216702_100000685027 [0,1,0,0,0,0|1,0,2]=4 3983 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100000759063_100000700193 [0,1,0,0,0,0|1,0,2]=4 3984 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100011216702_100011215641 [0,1,0,0,0,0|1,0,2]=4 3985 B13R0.54 C=CCCCCCOCCCC(=O)N 34a_100011216702_100102525003 [0,1,0,0,0,0|1,0,2]=4 3986 B13R0.54 C=CCCCCCOCCCC(=O)N 7a_100011216702_100102525003 [0,1,0,0,0,0|1,0,2]=4 3987 B13R0.54 C=CCCCCCOCCCC(C)C 34a_100000210774_100000700193 [0,1,0,0,0,0|2,0,0]=3 3988 B13R0.54 C=CCCCCCOCCCC(C)C 34a_100011216702_100011214892 [0,1,0,0,0,0|2,0,0]=3 3989 B13R0.54 C=CCCCCCOCCCC(C)C 7a_100000210774_100000700193 [0,1,0,0,0,0|2,0,0]=3 3990 B13R0.54 C=CCCCCCOCCCC(C)C 7a_100011216702_100011214892 [0,1,0,0,0,0|2,0,0]=3 3991 B13R0.54 C=CCCCCCOCCCC(C)O 34a_100011216702_200000718107 [0,1,0,0,0,0|2,0,0]=3 3992 B13R0.54 C=CCCCCCOCCCC(C)O 7a_100011216702_200000718107 [0,1,0,0,0,0|2,0,0]=3 3993 B13R0.54 C=CCCCCCOCCCN(C)C 7a_100011216702_100000757444 [0,1,0,0,0,0|3,0,0]=4 3994 B13R0.54 C=CCCCCCOCCNC(C)C 34a_100000224655_100000700193 [0,1,0,0,0,0|3,0,0]=4 3995 B13R0.54 C=CCCCCCOCCOC(C)C 34a_100000211219_100000700193 [0,1,0,0,0,0|3,0,0]=4 3996 B13R0.54 C=CCCCCCOCCOC(C)C 34a_100011216702_100000211751 [0,1,0,0,0,0|3,0,0]=4 3997 B13R0.54 C=CCCCCCOCCOC(C)C 7a_100000211219_100000700193 [0,1,0,0,0,0|3,0,0]=4 3998 B13R0.54 C=CCCCCCOCCOC(C)C 7a_100011216702_100000211751 [0,1,0,0,0,0|3,0,0]=4 3999 B13R0.54 C=CCCCCCOCCSC(C)C 34a_100011216702_100000730970 [0,1,0,0,0,0|3,0,0]=4 4000 B13R0.54 C=CCCCCCOCCSC(C)C 34a_200011212901_100000700193 [0,1,0,0,0,0|3,0,0]=4 4001 B13R0.54 C=CCCCCCOCCSC(C)C 7a_100011216702_100000730970 [0,1,0,0,0,0|3,0,0]=4 4002 B13R0.54 C=CCCCCCOCCSC(C)C 7a_200011212901_100000700193 [0,1,0,0,0,0|3,0,0]=4 4003 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100000700193_100011215641 [0,1,0,0,0,0|1,0,2]=4 4004 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100011215641_100000700193 [0,1,0,0,0,0|1,0,2]=4 4005 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100000700193_100102525003 [0,1,0,0,0,0|1,0,2]=4 4006 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100102525003_100000700193 [0,1,0,0,0,0|1,0,2]=4 4007 B13R0.54 C=CCCCCCSCCCC(C)C 62a_100000700193_100011214892 [0,1,0,0,0,0|2,0,0]=3 4008 B13R0.54 C=CCCCCCSCCCC(C)C 62a_100011214892_100000700193 [0,1,0,0,0,0|2,0,0]=3 4009 B13R0.54 C=CCCCCCSCCCC(C)O 62a_100000700193_200000718107 [0,1,0,0,0,0|2,0,0]=3 4010 B13R0.54 C=CCCCCCSCCCC(C)O 62a_200000718107_100000700193 [0,1,0,0,0,0|2,0,0]=3 4011 B13R0.54 C=CCCCCCSCCCN(C)C 62a_100000700193_100000757444 [0,1,0,0,0,0|3,0,0]=4 4012 B13R0.54 C=CCCCCCSCCOC(C)C 62a_100000211751_100000700193 [0,1,0,0,0,0|3,0,0]=4 4013 B13R0.54 C=CCCCCCSCCOC(C)C 62a_100000700193_100000211751 [0,1,0,0,0,0|3,0,0]=4 4014 B13R0.54 C=CCCCCCSCCSC(C)C 62a_100000700193_100000730970 [0,1,0,0,0,0|3,0,0]=4 4015 B13R0.54 C=CCCCCCSCCSC(C)C 62a_100000730970_100000700193 [0,1,0,0,0,0|3,0,0]=4 4016 B13R0.54 C=CCCCCNCCCCC(=O)C 34a_100000703577_100009817362 [0,1,0,0,0,0|1,0,2]=4 4017 B13R0.54 C=CCCCCNCCCCC(=O)N 34a_100000696515_100011215482 [0,1,0,0,0,0|1,0,2]=4 4018 B13R0.54 C=CCCCCNCCCCC(C)C 2230a_100000703577_100011216152 [0,1,0,0,0,0|2,0,0]=3 4019 B13R0.54 C=CCCCCNCCCCC(C)C 34a_100000703577_100011216152 [0,1,0,0,0,0|2,0,0]=3 4020 B13R0.54 C=CCCCCNCCCOC(C)C 2230a_100000737246_100011215482 [0,1,0,0,0,0|3,0,0]=4 4021 B13R0.54 C=CCCCCNCCCOC(C)C 34a_100000737246_100011215482 [0,1,0,0,0,0|3,0,0]=4 4022 B13R0.54 C=CCCCCOCCCCC(=O)C 34a_100000766645_100009817362 [0,1,0,0,0,0|1,0,2]=4 4023 B13R0.54 C=CCCCCOCCCCC(=O)C 7a_100000766645_100000735457 [0,1,0,0,0,0|1,0,2]=4 4024 B13R0.54 C=CCCCCOCCCCC(=O)N 34a_100012022536_100011215482 [0,1,0,0,0,0|1,0,2]=4 4025 B13R0.54 C=CCCCCOCCCCC(=O)N 7a_100012022536_100011215482 [0,1,0,0,0,0|1,0,2]=4 4026 B13R0.54 C=CCCCCOCCCCC(C)C 34a_100000766645_100011216152 [0,1,0,0,0,0|2,0,0]=3 4027 B13R0.54 C=CCCCCOCCCCC(C)C 34a_100011214890_100011215482 [0,1,0,0,0,0|2,0,0]=3 4028 B13R0.54 C=CCCCCOCCCCC(C)C 7a_100000766645_100011216152 [0,1,0,0,0,0|2,0,0]=3 4029 B13R0.54 C=CCCCCOCCCCC(C)C 7a_100011214890_100011215482 [0,1,0,0,0,0|2,0,0]=3 4030 B13R0.54 C=CCCCCOCCCNC(C)C 34a_100000182298_100011215482 [0,1,0,0,0,0|3,0,0]=4 4031 B13R0.54 C=CCCCCOCCNCC(C)C 34a_100015185251_100011215482 [0,1,0,0,0,0|3,0,0]=4 4032 B13R0.54 C=CCCCCOCCOCC(C)C 34a_100000703358_100011215482 [0,1,0,0,0,0|3,0,0]=4 4033 B13R0.54 C=CCCCCOCCOCC(C)C 7a_100000703358_100011215482 [0,1,0,0,0,0|3,0,0]=4 4034 B13R0.54 C=CCCCCOCCSCC(C)C 34a_200000230437_100011215482 [0,1,0,0,0,0|3,0,0]=4 4035 B13R0.54 C=CCCCCOCCSCC(C)C 7a_200000230437_100011215482 [0,1,0,0,0,0|3,0,0]=4 4036 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100000735457_100011215482 [0,1,0,0,0,0|1,0,2]=4 4037 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100011215482_100000735457 [0,1,0,0,0,0|1,0,2]=4 4038 B13R0.54 C=CCCCCSCCCCC(C)C 62a_100011215482_100011216152 [0,1,0,0,0,0|2,0,0]=3 4039 B13R0.54 C=CCCCCSCCCCC(C)C 62a_100011216152_100011215482 [0,1,0,0,0,0|2,0,0]=3 4040 B13R0.54 C=CCCCCSCCCCN(C)C 62a_100011215482_100000690147 [0,1,0,0,0,0|3,0,0]=4 4041 B13R0.54 C=CCCCNCCCCCC(=O)N 2230a_100000700776_100009817443 [0,1,0,0,0,0|1,0,2]=4 4042 B13R0.54 C=CCCCNCCCCCC(=O)N 34a_100000700776_100009817443 [0,1,0,0,0,0|1,0,2]=4 4043 B13R0.54 C=CCCCNCCCCCC(C)C 2230a_100000700776_100000210682 [0,1,0,0,0,0|2,0,0]=3 4044 B13R0.54 C=CCCCNCCCCCC(C)C 2230a_100011290863_100011713584 [0,1,0,0,0,0|2,0,0]=3 4045 B13R0.54 C=CCCCNCCCCCC(C)C 34a_100000700776_100000210682 [0,1,0,0,0,0|2,0,0]=3 4046 B13R0.54 C=CCCCNCCCCCC(C)C 34a_100011290863_100000757094 [0,1,0,0,0,0|2,0,0]=3 4047 B13R0.54 C=CCCCNCCCOCC(C)C 2230a_100000205972_100011713584 [0,1,0,0,0,0|3,0,0]=4 4048 B13R0.54 C=CCCCNCCCOCC(C)C 34a_100000205972_100000757094 [0,1,0,0,0,0|3,0,0]=4 4049 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000123541_100000757094 [0,1,0,0,0,0|1,0,2]=4 4050 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000758997_100009817443 [0,1,0,0,0,0|1,0,2]=4 4051 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000123541_100000757094 [0,1,0,0,0,0|1,0,2]=4 4052 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000758997_100009817443 [0,1,0,0,0,0|1,0,2]=4 4053 B13R0.54 C=CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000757094 [0,1,0,0,0,0|1,0,2]=4 4054 B13R0.54 C=CCCCOCCCCCC(C)C 34a_100000758997_100000210682 [0,1,0,0,0,0|2,0,0]=3 4055 B13R0.54 C=CCCCOCCCCCC(C)C 34a_100011995859_100000757094 [0,1,0,0,0,0|2,0,0]=3 4056 B13R0.54 C=CCCCOCCCCCC(C)C 7a_100000758997_100000210682 [0,1,0,0,0,0|2,0,0]=3 4057 B13R0.54 C=CCCCOCCCCCC(C)C 7a_100011995859_100000757094 [0,1,0,0,0,0|2,0,0]=3 4058 B13R0.54 C=CCCCOCCCCNC(C)C 34a_100011521146_100000757094 [0,1,0,0,0,0|3,0,0]=4 4059 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100009817443_100000757094 [0,1,0,0,0,0|1,0,2]=4 4060 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100011713584_100009817443 [0,1,0,0,0,0|1,0,2]=4 4061 B13R0.54 C=CCCCSCCCCCC(C)C 62a_100000210682_100000757094 [0,1,0,0,0,0|2,0,0]=3 4062 B13R0.54 C=CCCCSCCCCCC(C)C 62a_100011713584_100000210682 [0,1,0,0,0,0|2,0,0]=3 4063 B13R0.54 C=CCCNCCCCCCC(C)C 2230a_100000211014_100000754431 [0,1,0,0,0,0|2,0,0]=3 4064 B13R0.54 C=CCCNCCCCCCC(C)C 34a_100000211014_100000754431 [0,1,0,0,0,0|2,0,0]=3 4065 B13R0.54 C=CCCOCCCCCNC(C)C 34a_100011629493_100000754431 [0,1,0,0,0,0|3,0,0]=4 4066 B13R0.54 C=CCOCCCCCCCC(C)C 34a_200000210741_100015514636 [0,1,0,0,0,0|2,0,0]=3 4067 B13R0.54 C=CCOCCCCCCCC(C)C 7a_200000210741_100015514636 [0,1,0,0,0,0|2,0,0]=3 4068 B13R0.54 C=CCOCCOCCCCC(C)C 34a_100000037705_100011216152 [0,1,0,0,0,0|3,0,0]=4 4069 B13R0.54 C=CCOCCOCCCCC(C)C 7a_100000037705_100011216152 [0,1,0,0,0,0|3,0,0]=4 4070 B13R0.54 C=COCCCCOCCCC(C)C 34a_100000031558_100011214892 [0,1,0,0,0,0|3,0,0]=4 4071 B13R0.54 C=COCCCCOCCCC(C)C 7a_100000031558_100011214892 [0,1,0,0,0,0|3,0,0]=4 4072 B13R0.54 C=COCCCCOCCCC(C)O 34a_100000031558_200000718107 [0,1,0,0,0,0|3,0,0]=4 4073 B13R0.54 C=COCCCCOCCCC(C)O 7a_100000031558_200000718107 [0,1,0,0,0,0|3,0,0]=4 4074 B13R0.54 C=COCCCNCCCCC(C)C 2230a_100000210767_100011216152 [0,1,0,0,0,0|3,0,0]=4 4075 B13R0.54 C=COCCCNCCCCC(C)C 34a_100000210767_100011216152 [0,1,0,0,0,0|3,0,0]=4 4076 B13R0.54 C=COCCNCCCCCC(C)C 2230a_100011290863_100000039644 [0,1,0,0,0,0|3,0,0]=4 4077 B13R0.54 C=COCCNCCCCCC(C)C 34a_100011290863_100000039644 [0,1,0,0,0,0|3,0,0]=4 4078 B13R0.54 C=COCCOCCCCCC(C)C 34a_100000033082_100000210682 [0,1,0,0,0,0|3,0,0]=4 4079 B13R0.54 C=COCCOCCCCCC(C)C 34a_100011995859_100000039644 [0,1,0,0,0,0|3,0,0]=4 4080 B13R0.54 C=COCCOCCCCCC(C)C 7a_100011995859_100000039644 [0,1,0,0,0,0|3,0,0]=4 4081 B13R0.54 C=COCCSCCCCCC(C)C 62a_100000039644_100000210682 [0,1,0,0,0,0|3,0,0]=4 4082 B13R0.54 C=COCCSCCCCCC(C)C 62a_100000210682_100000039644 [0,1,0,0,0,0|3,0,0]=4 4083 B13R0.54 CC#CCCOCCCCCC(=O)N 34a_100000750427_100009817443 [0,1,0,0,0,0|1,0,2]=4 4084 B13R0.54 CC(=CCCSCCCCCC=O)C 62a_100000139337_100011217483 [0,1,0,0,0,0|1,0,2]=4 4085 B13R0.54 CC(=CCCSCCCCCC=O)C 62a_100011217483_100000139337 [0,1,0,0,0,0|1,0,2]=4 4086 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [0,1,0,0,0,0|1,0,0]=2 4087 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [0,1,0,0,0,0|2,0,0]=3 4088 B13R0.54 CC(=O)CCCCNCCOCCO 34a_100000211614_100009817362 [0,1,0,0,0,0|3,0,0]=4 4089 B13R0.54 CC(=O)CCCCOCCCCCBr 34a_100000746331_100009817362 [0,1,0,0,0,0|2,0,0]=3 4090 B13R0.54 CC(=O)CCCCOCCCCCBr 7a_100000746331_100000735457 [0,1,0,0,0,0|2,0,0]=3 4091 B13R0.54 CC(=O)CCCCOCCCCCCl 34a_100000746330_100009817362 [0,1,0,0,0,0|2,0,0]=3 4092 B13R0.54 CC(=O)CCCCOCCCCCCl 7a_100000746330_100000735457 [0,1,0,0,0,0|2,0,0]=3 4093 B13R0.54 CC(=O)CCCCOCCCCCI 34a_200012148887_100009817362 [0,1,0,0,0,0|2,0,0]=3 4094 B13R0.54 CC(=O)CCCCOCCCCCI 7a_200012148887_100000735457 [0,1,0,0,0,0|2,0,0]=3 4095 B13R0.54 CC(=O)CCCCOCCCCCN 34a_100000762737_100009817362 [0,1,0,0,0,0|2,0,0]=3 4096 B13R0.54 CC(=O)CCCCOCCOCCBr 34a_100000692535_100009817362 [0,1,0,0,0,0|3,0,0]=4 4097 B13R0.54 CC(=O)CCCCOCCOCCBr 7a_100000692535_100000735457 [0,1,0,0,0,0|3,0,0]=4 4098 B13R0.54 CC(=O)CCCCOCCOCCCl 34a_100011215305_100009817362 [0,1,0,0,0,0|3,0,0]=4 4099 B13R0.54 CC(=O)CCCCOCCOCCCl 7a_100011215305_100000735457 [0,1,0,0,0,0|3,0,0]=4 4100 B13R0.54 CC(=O)CCCCOCCOCCF 34a_200015357709_100009817362 [0,1,0,0,0,0|3,0,0]=4 4101 B13R0.54 CC(=O)CCCCOCCOCCF 7a_200015357709_100000735457 [0,1,0,0,0,0|3,0,0]=4 4102 B13R0.54 CC(=O)CCCCOCCOCCI 34a_100012149058_100009817362 [0,1,0,0,0,0|3,0,0]=4 4103 B13R0.54 CC(=O)CCCCOCCOCCI 7a_100012149058_100000735457 [0,1,0,0,0,0|3,0,0]=4 4104 B13R0.54 CC(=O)CCCCOCCOCCN 34a_100000211614_100009817362 [0,1,0,0,0,0|3,0,0]=4 4105 B13R0.54 CC(=O)CCCCSCCCCC#N 62a_100000735457_100000211819 [0,1,0,0,0,0|2,0,1]=4 4106 B13R0.54 CC(=O)CCCCSCCCCC#N 62a_100011219923_100000735457 [0,1,0,0,0,0|2,0,1]=4 4107 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000139335_100000735457 [0,1,0,0,0,0|1,0,1]=3 4108 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000735457_100000139335 [0,1,0,0,0,0|1,0,1]=3 4109 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000729378_100000735457 [0,1,0,0,0,0|2,0,0]=3 4110 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000735457_100000729378 [0,1,0,0,0,0|2,0,0]=3 4111 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [0,1,0,0,0,0|2,0,0]=3 4112 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [0,1,0,0,0,0|2,0,0]=3 4113 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100000735457_100011215305 [0,1,0,0,0,0|3,0,0]=4 4114 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100011215305_100000735457 [0,1,0,0,0,0|3,0,0]=4 4115 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [0,1,0,0,0,0|2,0,0]=3 4116 B13R0.54 CC(=O)CCCOCCCCCC#N 7a_100000759063_100009813376 [0,1,0,0,0,0|2,0,1]=4 4117 B13R0.54 CC(=O)CCCOCCCCCC=O 7a_100000759063_100000139337 [0,1,0,0,0,0|1,0,1]=3 4118 B13R0.54 CC(=O)CCCOCCCCCCBr 34a_100011215345_100000685027 [0,1,0,0,0,0|2,0,0]=3 4119 B13R0.54 CC(=O)CCCOCCCCCCBr 7a_100011215345_100011215641 [0,1,0,0,0,0|2,0,0]=3 4120 B13R0.54 CC(=O)CCCOCCCCCCCl 34a_100000766143_100000685027 [0,1,0,0,0,0|2,0,0]=3 4121 B13R0.54 CC(=O)CCCOCCCCCCCl 7a_100000766143_100011215641 [0,1,0,0,0,0|2,0,0]=3 4122 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000732779_100000685027 [0,1,0,0,0,0|2,0,0]=3 4123 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000759063_100015922095 [0,1,0,0,0,0|2,0,0]=3 4124 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000732779_100011215641 [0,1,0,0,0,0|2,0,0]=3 4125 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000759063_100015922095 [0,1,0,0,0,0|2,0,0]=3 4126 B13R0.54 CC(=O)CCCOCCCCCCN 34a_100000686447_100000685027 [0,1,0,0,0,0|2,0,0]=3 4127 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [0,1,0,0,0,0|2,0,0]=3 4128 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [0,1,0,0,0,0|2,0,0]=3 4129 B13R0.54 CC(=O)CCCSCCCCCC#N 62a_100009813376_100011215641 [0,1,0,0,0,0|2,0,1]=4 4130 B13R0.54 CC(=O)CCCSCCCCCC#N 62a_100011215641_100009813376 [0,1,0,0,0,0|2,0,1]=4 4131 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100000139337_100011215641 [0,1,0,0,0,0|1,0,1]=3 4132 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100011215641_100000139337 [0,1,0,0,0,0|1,0,1]=3 4133 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100011215641_100015922095 [0,1,0,0,0,0|2,0,0]=3 4134 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100015922095_100011215641 [0,1,0,0,0,0|2,0,0]=3 4135 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [0,1,0,0,0,0|2,0,0]=3 4136 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [0,1,0,0,0,0|2,0,0]=3 4137 B13R0.54 CC(=O)CCOCCCCCCC#N 7a_100000759926_100009813337 [0,1,0,0,0,0|2,0,1]=4 4138 B13R0.54 CC(=O)CCOCCCCCCCBr 7a_100000760002_100000053229 [0,1,0,0,0,0|2,0,0]=3 4139 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [0,1,0,0,0,0|2,0,0]=3 4140 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [0,1,0,0,0,0|2,0,0]=3 4141 B13R0.54 CC(=O)CCSCCCCCCC#N 62a_100000053229_100009813337 [0,1,0,0,0,0|2,0,1]=4 4142 B13R0.54 CC(=O)CCSCCCCCCC#N 62a_100009813337_100000053229 [0,1,0,0,0,0|2,0,1]=4 4143 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [0,1,0,0,0,0|2,0,0]=3 4144 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [0,1,0,0,0,0|2,0,0]=3 4145 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [0,1,0,0,0,0|2,0,0]=3 4146 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [0,1,0,0,0,0|2,0,0]=3 4147 B13R0.54 CC(=O)NCCCCCCNCC=O 2230a_200011996284_200015260668 [0,1,0,0,0,0|2,0,1]=4 4148 B13R0.54 CC(=O)NCCCCCCNCC=O 34a_200011996284_200009817547 [0,1,0,0,0,0|2,0,1]=4 4149 B13R0.54 CC(=O)NCCCCCCNCCF 2230a_200011996284_100011217306 [0,1,0,0,0,0|3,0,0]=4 4150 B13R0.54 CC(=O)NCCCCCCNCCF 34a_200011996284_100011217306 [0,1,0,0,0,0|3,0,0]=4 4151 B13R0.54 CC(=O)NCCCCCCNCCO 2230a_200011996284_100000211926 [0,1,0,0,0,0|3,0,0]=4 4152 B13R0.54 CC(=O)NCCCCCCNCCO 34a_200011996284_100000211926 [0,1,0,0,0,0|3,0,0]=4 4153 B13R0.54 CC(=O)NCCCCCNCCCF 2230a_200012022750_100011934791 [0,1,0,0,0,0|3,0,0]=4 4154 B13R0.54 CC(=O)NCCCCCNCCCF 34a_200012022750_100011934791 [0,1,0,0,0,0|3,0,0]=4 4155 B13R0.54 CC(=O)NCCCCCNCCCO 2230a_200012022750_100000230001 [0,1,0,0,0,0|3,0,0]=4 4156 B13R0.54 CC(=O)NCCCCCNCCCO 34a_200012022750_100000230001 [0,1,0,0,0,0|3,0,0]=4 4157 B13R0.54 CC(=O)NCCCCNCCCC=O 2230a_200011368371_200011292268 [0,1,0,0,0,0|2,0,1]=4 4158 B13R0.54 CC(=O)NCCCCNCCCCF 2230a_200011368371_100000729493 [0,1,0,0,0,0|3,0,0]=4 4159 B13R0.54 CC(=O)NCCCCNCCCCF 34a_200011368371_100000729493 [0,1,0,0,0,0|3,0,0]=4 4160 B13R0.54 CC(=O)NCCCCNCCCCO 2230a_200011368371_100000210776 [0,1,0,0,0,0|3,0,0]=4 4161 B13R0.54 CC(=O)NCCCCNCCCCO 34a_200011368371_100011216708 [0,1,0,0,0,0|3,0,0]=4 4162 B13R0.54 CC(=O)NCCCNCCCCCF 34a_100000736810_100000729378 [0,1,0,0,0,0|3,0,0]=4 4163 B13R0.54 CC(=O)NCCCNCCCCCO 34a_100000736810_100000746330 [0,1,0,0,0,0|3,0,0]=4 4164 B13R0.54 CC(=O)NCCCOCCCCCF 34a_100000752032_100000729378 [0,1,0,0,0,0|3,0,0]=4 4165 B13R0.54 CC(=O)NCCCOCCCCCO 34a_100000752032_100000746330 [0,1,0,0,0,0|3,0,0]=4 4166 B13R0.54 CC(=O)NCCNCCCCCC=O 2230a_100000209853_100000139337 [0,1,0,0,0,0|2,0,1]=4 4167 B13R0.54 CC(=O)NCCNCCCCCCF 2230a_100000209853_100015922095 [0,1,0,0,0,0|3,0,0]=4 4168 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000209853_100000766143 [0,1,0,0,0,0|3,0,0]=4 4169 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000686447_100000189650 [0,1,0,0,0,0|3,0,0]=4 4170 B13R0.54 CC(=O)NCCOCCCCCCBr 7a_100011215345_100000189650 [0,1,0,0,0,0|3,0,0]=4 4171 B13R0.54 CC(=O)NCCOCCCCCCCl 7a_100000766143_100000189650 [0,1,0,0,0,0|3,0,0]=4 4172 B13R0.54 CC(=O)NCCOCCCCCCF 34a_100000158858_100015922095 [0,1,0,0,0,0|3,0,0]=4 4173 B13R0.54 CC(=O)NCCOCCCCCCF 7a_100000732779_100000189650 [0,1,0,0,0,0|3,0,0]=4 4174 B13R0.54 CC(=O)NCCOCCCCCCO 34a_100000158858_100000766143 [0,1,0,0,0,0|3,0,0]=4 4175 B13R0.54 CC(=O)NCCSCCCCCC=O 62a_100000139337_100000189650 [0,1,0,0,0,0|2,0,1]=4 4176 B13R0.54 CC(=O)NCCSCCCCCC=O 62a_100000189650_100000139337 [0,1,0,0,0,0|2,0,1]=4 4177 B13R0.54 CC(=O)NCCSCCCCCCF 62a_100000189650_100015922095 [0,1,0,0,0,0|3,0,0]=4 4178 B13R0.54 CC(=O)NCCSCCCCCCF 62a_100015922095_100000189650 [0,1,0,0,0,0|3,0,0]=4 4179 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000189650_100000766143 [0,1,0,0,0,0|3,0,0]=4 4180 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000766143_100000189650 [0,1,0,0,0,0|3,0,0]=4 4181 B13R0.54 CC(=O)OCCCCCNCCCF 2230a_100015189416_100009813381 [0,1,0,0,0,0|3,0,0]=4 4182 B13R0.54 CC(=O)OCCCCCNCCCF 34a_100015189416_100000033007 [0,1,0,0,0,0|3,0,0]=4 4183 B13R0.54 CC(=O)OCCCCCOCCCBr 34a_100011217188_100000033007 [0,1,0,0,0,0|3,0,0]=4 4184 B13R0.54 CC(=O)OCCCCCOCCCCl 34a_100000230001_100000033007 [0,1,0,0,0,0|3,0,0]=4 4185 B13R0.54 CC(=O)OCCCCCOCCCF 34a_100000759539_100000033007 [0,1,0,0,0,0|3,0,0]=4 4186 B13R0.54 CC(=O)OCCCCCOCCCN 34a_100000182051_100000033007 [0,1,0,0,0,0|3,0,0]=4 4187 B13R0.54 CC(=O)OCCCCCSCCCF 62a_100000033007_100011934791 [0,1,0,0,0,0|3,0,0]=4 4188 B13R0.54 CC(=O)OCCCCCSCCCF 62a_100011934791_100000033007 [0,1,0,0,0,0|3,0,0]=4 4189 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100000033007_100011215043 [0,1,0,0,0,0|3,0,0]=4 4190 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100011215043_100000033007 [0,1,0,0,0,0|3,0,0]=4 4191 B13R0.54 CC(=O)OCCCCNCCCCO 34a_100000750430_100000033659 [0,1,0,0,0,0|3,0,0]=4 4192 B13R0.54 CC(=O)OCCCCOCCCC=O 7a_100000073216_200011292268 [0,1,0,0,0,0|2,0,1]=4 4193 B13R0.54 CC(=O)OCCCCOCCCCBr 34a_100011216708_100000033659 [0,1,0,0,0,0|3,0,0]=4 4194 B13R0.54 CC(=O)OCCCCOCCCCCl 34a_100000210776_100000033659 [0,1,0,0,0,0|3,0,0]=4 4195 B13R0.54 CC(=O)OCCCCOCCCCCl 7a_100000210776_100000033659 [0,1,0,0,0,0|3,0,0]=4 4196 B13R0.54 CC(=O)OCCCCOCCCCF 34a_100000073216_100000729493 [0,1,0,0,0,0|3,0,0]=4 4197 B13R0.54 CC(=O)OCCCCOCCCCF 34a_100011995726_100000033659 [0,1,0,0,0,0|3,0,0]=4 4198 B13R0.54 CC(=O)OCCCCOCCCCF 7a_100000073216_100000729493 [0,1,0,0,0,0|3,0,0]=4 4199 B13R0.54 CC(=O)OCCCCOCCCCF 7a_100011995726_100000033659 [0,1,0,0,0,0|3,0,0]=4 4200 B13R0.54 CC(=O)OCCCCOCCCCI 34a_200012148704_100000033659 [0,1,0,0,0,0|3,0,0]=4 4201 B13R0.54 CC(=O)OCCCCOCCCCN 34a_100000750430_100000033659 [0,1,0,0,0,0|3,0,0]=4 4202 B13R0.54 CC(=O)OCCCCOCCCCO 34a_100000073216_100011216708 [0,1,0,0,0,0|3,0,0]=4 4203 B13R0.54 CC(=O)OCCCCOCCCCO 7a_100000073216_100000210776 [0,1,0,0,0,0|3,0,0]=4 4204 B13R0.54 CC(=O)OCCCCSCCCC=O 62a_100000033659_200011292268 [0,1,0,0,0,0|2,0,1]=4 4205 B13R0.54 CC(=O)OCCCCSCCCC=O 62a_200011292268_100000033659 [0,1,0,0,0,0|2,0,1]=4 4206 B13R0.54 CC(=O)OCCCCSCCCCF 62a_100000033659_100000729493 [0,1,0,0,0,0|3,0,0]=4 4207 B13R0.54 CC(=O)OCCCCSCCCCF 62a_100000729493_100000033659 [0,1,0,0,0,0|3,0,0]=4 4208 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000033659_100000210776 [0,1,0,0,0,0|3,0,0]=4 4209 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000210776_100000033659 [0,1,0,0,0,0|3,0,0]=4 4210 B13R0.54 CC(=O)OCCCNCCCCCO 34a_100000762737_100000042594 [0,1,0,0,0,0|3,0,0]=4 4211 B13R0.54 CC(=O)OCCCOCCCCCBr 34a_100000746331_100000042594 [0,1,0,0,0,0|3,0,0]=4 4212 B13R0.54 CC(=O)OCCCOCCCCCBr 7a_100000746331_100000042594 [0,1,0,0,0,0|3,0,0]=4 4213 B13R0.54 CC(=O)OCCCOCCCCCCl 34a_100000746330_100000042594 [0,1,0,0,0,0|3,0,0]=4 4214 B13R0.54 CC(=O)OCCCOCCCCCCl 7a_100000746330_100000042594 [0,1,0,0,0,0|3,0,0]=4 4215 B13R0.54 CC(=O)OCCCOCCCCCI 34a_200012148887_100000042594 [0,1,0,0,0,0|3,0,0]=4 4216 B13R0.54 CC(=O)OCCCOCCCCCI 7a_200012148887_100000042594 [0,1,0,0,0,0|3,0,0]=4 4217 B13R0.54 CC(=O)OCCCOCCCCCN 34a_100000762737_100000042594 [0,1,0,0,0,0|3,0,0]=4 4218 B13R0.54 CC(=O)OCCCSCCCCC=O 62a_100000042594_100000139335 [0,1,0,0,0,0|2,0,1]=4 4219 B13R0.54 CC(=O)OCCCSCCCCC=O 62a_100000139335_100000042594 [0,1,0,0,0,0|2,0,1]=4 4220 B13R0.54 CC(=O)OCCCSCCCCCF 62a_100000042594_100000729378 [0,1,0,0,0,0|3,0,0]=4 4221 B13R0.54 CC(=O)OCCCSCCCCCF 62a_100000729378_100000042594 [0,1,0,0,0,0|3,0,0]=4 4222 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000042594_100000746330 [0,1,0,0,0,0|3,0,0]=4 4223 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000746330_100000042594 [0,1,0,0,0,0|3,0,0]=4 4224 B13R0.54 CC(=O)OCCNCCCCCCO 34a_100000686447_100009814007 [0,1,0,0,0,0|3,0,0]=4 4225 B13R0.54 CC(=O)OCCOCCCCCCBr 34a_100011215345_100009814007 [0,1,0,0,0,0|3,0,0]=4 4226 B13R0.54 CC(=O)OCCOCCCCCCBr 7a_100011215345_100009814007 [0,1,0,0,0,0|3,0,0]=4 4227 B13R0.54 CC(=O)OCCOCCCCCCCl 34a_100000766143_100009814007 [0,1,0,0,0,0|3,0,0]=4 4228 B13R0.54 CC(=O)OCCOCCCCCCCl 7a_100000766143_100009814007 [0,1,0,0,0,0|3,0,0]=4 4229 B13R0.54 CC(=O)OCCOCCCCCCF 34a_100000732779_100009814007 [0,1,0,0,0,0|3,0,0]=4 4230 B13R0.54 CC(=O)OCCOCCCCCCF 7a_100000732779_100009814007 [0,1,0,0,0,0|3,0,0]=4 4231 B13R0.54 CC(=O)OCCOCCCCCCN 34a_100000686447_100009814007 [0,1,0,0,0,0|3,0,0]=4 4232 B13R0.54 CC(=O)OCCSCCCCCC=O 62a_100000139337_100009814007 [0,1,0,0,0,0|2,0,1]=4 4233 B13R0.54 CC(=O)OCCSCCCCCC=O 62a_100009814007_100000139337 [0,1,0,0,0,0|2,0,1]=4 4234 B13R0.54 CC(=O)OCCSCCCCCCF 62a_100009814007_100015922095 [0,1,0,0,0,0|3,0,0]=4 4235 B13R0.54 CC(=O)OCCSCCCCCCF 62a_100015922095_100009814007 [0,1,0,0,0,0|3,0,0]=4 4236 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100000766143_100009814007 [0,1,0,0,0,0|3,0,0]=4 4237 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100009814007_100000766143 [0,1,0,0,0,0|3,0,0]=4 4238 B13R0.54 CC(=O)OCNCCCCCCCO 34a_100011996573_100009813279 [0,1,0,0,0,0|3,0,0]=4 4239 B13R0.54 CC(=O)OCOCCCCCCCBr 34a_100000760002_100009813279 [0,1,0,0,0,0|3,0,0]=4 4240 B13R0.54 CC(=O)OCOCCCCCCCN 34a_100011996573_100009813279 [0,1,0,0,0,0|3,0,0]=4 4241 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000076356_100000760002 [0,1,0,0,0,0|3,0,0]=4 4242 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000760002_100000076356 [0,1,0,0,0,0|3,0,0]=4 4243 B13R0.54 CC(=O)SCCCCNCCCCO 2230a_100000750430_200010402107 [0,1,0,0,0,0|3,0,0]=4 4244 B13R0.54 CC(=O)SCCCCNCCCCO 34a_100000750430_200010402107 [0,1,0,0,0,0|3,0,0]=4 4245 B13R0.54 CC(=O)SCCCCOCCCCBr 34a_100011216708_200010402107 [0,1,0,0,0,0|3,0,0]=4 4246 B13R0.54 CC(=O)SCCCCOCCCCCl 34a_100000210776_200010402107 [0,1,0,0,0,0|3,0,0]=4 4247 B13R0.54 CC(=O)SCCCCOCCCCCl 7a_100000210776_200010402107 [0,1,0,0,0,0|3,0,0]=4 4248 B13R0.54 CC(=O)SCCCCOCCCCF 34a_100011995726_200010402107 [0,1,0,0,0,0|3,0,0]=4 4249 B13R0.54 CC(=O)SCCCCOCCCCF 7a_100011995726_200010402107 [0,1,0,0,0,0|3,0,0]=4 4250 B13R0.54 CC(=O)SCCCCOCCCCI 34a_200012148704_200010402107 [0,1,0,0,0,0|3,0,0]=4 4251 B13R0.54 CC(=O)SCCCCOCCCCN 34a_100000750430_200010402107 [0,1,0,0,0,0|3,0,0]=4 4252 B13R0.54 CC(=O)SCCCCSCCCC=O 62a_200010402107_200011292268 [0,1,0,0,0,0|2,0,1]=4 4253 B13R0.54 CC(=O)SCCCCSCCCC=O 62a_200011292268_200010402107 [0,1,0,0,0,0|2,0,1]=4 4254 B13R0.54 CC(=O)SCCCCSCCCCF 62a_100000729493_200010402107 [0,1,0,0,0,0|3,0,0]=4 4255 B13R0.54 CC(=O)SCCCCSCCCCF 62a_200010402107_100000729493 [0,1,0,0,0,0|3,0,0]=4 4256 B13R0.54 CC(=O)SCCCCSCCCCO 62a_100000210776_200010402107 [0,1,0,0,0,0|3,0,0]=4 4257 B13R0.54 CC(=O)SCCCCSCCCCO 62a_200010402107_100000210776 [0,1,0,0,0,0|3,0,0]=4 4258 B13R0.54 CC(=O)SCCCNCCCCCO 2230a_100000762737_100000038929 [0,1,0,0,0,0|3,0,0]=4 4259 B13R0.54 CC(=O)SCCCNCCCCCO 34a_100000762737_100000038929 [0,1,0,0,0,0|3,0,0]=4 4260 B13R0.54 CC(=O)SCCCOCCCCCBr 34a_100000746331_100000038929 [0,1,0,0,0,0|3,0,0]=4 4261 B13R0.54 CC(=O)SCCCOCCCCCBr 7a_100000746331_100000038929 [0,1,0,0,0,0|3,0,0]=4 4262 B13R0.54 CC(=O)SCCCOCCCCCCl 34a_100000746330_100000038929 [0,1,0,0,0,0|3,0,0]=4 4263 B13R0.54 CC(=O)SCCCOCCCCCCl 7a_100000746330_100000038929 [0,1,0,0,0,0|3,0,0]=4 4264 B13R0.54 CC(=O)SCCCOCCCCCI 34a_200012148887_100000038929 [0,1,0,0,0,0|3,0,0]=4 4265 B13R0.54 CC(=O)SCCCOCCCCCI 7a_200012148887_100000038929 [0,1,0,0,0,0|3,0,0]=4 4266 B13R0.54 CC(=O)SCCCOCCCCCN 34a_100000762737_100000038929 [0,1,0,0,0,0|3,0,0]=4 4267 B13R0.54 CC(=O)SCCCSCCCCC=O 62a_100000038929_100000139335 [0,1,0,0,0,0|2,0,1]=4 4268 B13R0.54 CC(=O)SCCCSCCCCC=O 62a_100000139335_100000038929 [0,1,0,0,0,0|2,0,1]=4 4269 B13R0.54 CC(=O)SCCCSCCCCCF 62a_100000038929_100000729378 [0,1,0,0,0,0|3,0,0]=4 4270 B13R0.54 CC(=O)SCCCSCCCCCF 62a_100000729378_100000038929 [0,1,0,0,0,0|3,0,0]=4 4271 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000038929_100000746330 [0,1,0,0,0,0|3,0,0]=4 4272 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000746330_100000038929 [0,1,0,0,0,0|3,0,0]=4 4273 B13R0.54 CC(=S)OCCCSCCCCC=O 62a_100000139335_200135323944 [0,1,0,0,0,0|2,0,1]=4 4274 B13R0.54 CC(=S)OCCCSCCCCC=O 62a_200135323944_100000139335 [0,1,0,0,0,0|2,0,1]=4 4275 B13R0.54 CC(Br)CCOCCCCCCCO 34a_100009893172_100000760002 [0,1,0,0,0,0|1,0,2]=4 4276 B13R0.54 CC(Br)COCCCCCCCCO 34a_100012180447_100000033203 [0,1,0,0,0,0|1,0,2]=4 4277 B13R0.54 CC(C)CCCCCCCOCC#N 7a_200000210741_100011215382 [0,1,0,0,0,0|2,0,1]=4 4278 B13R0.54 CC(C)CCCCCCCOCC=O 34a_200000210741_200009817547 [0,1,0,0,0,0|1,0,0]=2 4279 B13R0.54 CC(C)CCCCCCCOCC=O 7a_200000210741_200015260668 [0,1,0,0,0,0|1,0,0]=2 4280 B13R0.54 CC(C)CCCCCCCOCCF 34a_200000210741_100011217306 [0,1,0,0,0,0|2,0,1]=4 4281 B13R0.54 CC(C)CCCCCCCOCCF 7a_200000210741_100011217306 [0,1,0,0,0,0|2,0,1]=4 4282 B13R0.54 CC(C)CCCCCCCOCCO 34a_200000210741_100000211926 [0,1,0,0,0,0|1,0,2]=4 4283 B13R0.54 CC(C)CCCCCCCOCCO 7a_200000210741_100000211926 [0,1,0,0,0,0|1,0,2]=4 4284 B13R0.54 CC(C)CCCCCCNCCC#N 2230a_100000211014_100011215226 [0,1,0,0,0,0|2,0,1]=4 4285 B13R0.54 CC(C)CCCCCCNCCCF 2230a_100000211014_100011934791 [0,1,0,0,0,0|2,0,1]=4 4286 B13R0.54 CC(C)CCCCCCNCCCF 34a_100000211014_100011934791 [0,1,0,0,0,0|2,0,1]=4 4287 B13R0.54 CC(C)CCCCCCNCCCO 2230a_100000211014_100000230001 [0,1,0,0,0,0|1,0,2]=4 4288 B13R0.54 CC(C)CCCCCCNCCCO 34a_100000211014_100000230001 [0,1,0,0,0,0|1,0,2]=4 4289 B13R0.54 CC(C)CCCCCNCCCC#N 2230a_100011290863_100000687738 [0,1,0,0,0,0|2,0,1]=4 4290 B13R0.54 CC(C)CCCCCNCCCC=O 2230a_100011290863_200011292268 [0,1,0,0,0,0|1,0,0]=2 4291 B13R0.54 CC(C)CCCCCNCCCCF 2230a_100011290863_100000729493 [0,1,0,0,0,0|2,0,1]=4 4292 B13R0.54 CC(C)CCCCCNCCCCF 34a_100011290863_100000729493 [0,1,0,0,0,0|2,0,1]=4 4293 B13R0.54 CC(C)CCCCCNCCCCO 2230a_100000750430_100000210682 [0,1,0,0,0,0|1,0,2]=4 4294 B13R0.54 CC(C)CCCCCNCCCCO 2230a_100011290863_100000210776 [0,1,0,0,0,0|1,0,2]=4 4295 B13R0.54 CC(C)CCCCCNCCCCO 34a_100000750430_100000210682 [0,1,0,0,0,0|1,0,2]=4 4296 B13R0.54 CC(C)CCCCCNCCCCO 34a_100011290863_100011216708 [0,1,0,0,0,0|1,0,2]=4 4297 B13R0.54 CC(C)CCCCCOCCCC#N 7a_100011995859_100000687738 [0,1,0,0,0,0|2,0,1]=4 4298 B13R0.54 CC(C)CCCCCOCCCC=O 7a_100011995859_200011292268 [0,1,0,0,0,0|1,0,0]=2 4299 B13R0.54 CC(C)CCCCCOCCCCBr 34a_100011216708_100000210682 [0,1,0,0,0,0|2,0,1]=4 4300 B13R0.54 CC(C)CCCCCOCCCCCl 34a_100000210776_100000210682 [0,1,0,0,0,0|2,0,1]=4 4301 B13R0.54 CC(C)CCCCCOCCCCCl 7a_100000210776_100000210682 [0,1,0,0,0,0|2,0,1]=4 4302 B13R0.54 CC(C)CCCCCOCCCCF 34a_100011995726_100000210682 [0,1,0,0,0,0|2,0,1]=4 4303 B13R0.54 CC(C)CCCCCOCCCCF 34a_100011995859_100000729493 [0,1,0,0,0,0|2,0,1]=4 4304 B13R0.54 CC(C)CCCCCOCCCCF 7a_100011995726_100000210682 [0,1,0,0,0,0|2,0,1]=4 4305 B13R0.54 CC(C)CCCCCOCCCCF 7a_100011995859_100000729493 [0,1,0,0,0,0|2,0,1]=4 4306 B13R0.54 CC(C)CCCCCOCCCCI 34a_200012148704_100000210682 [0,1,0,0,0,0|2,0,1]=4 4307 B13R0.54 CC(C)CCCCCOCCCCN 34a_100000750430_100000210682 [0,1,0,0,0,0|2,0,1]=4 4308 B13R0.54 CC(C)CCCCCOCCCCO 34a_100011995859_100011216708 [0,1,0,0,0,0|1,0,2]=4 4309 B13R0.54 CC(C)CCCCCOCCCCO 7a_100011995859_100000210776 [0,1,0,0,0,0|1,0,2]=4 4310 B13R0.54 CC(C)CCCCCSCCCC#N 62a_100000210682_100000687738 [0,1,0,0,0,0|2,0,1]=4 4311 B13R0.54 CC(C)CCCCCSCCCC#N 62a_100000687738_100000210682 [0,1,0,0,0,0|2,0,1]=4 4312 B13R0.54 CC(C)CCCCCSCCCC=O 62a_100000210682_200011292268 [0,1,0,0,0,0|1,0,0]=2 4313 B13R0.54 CC(C)CCCCCSCCCC=O 62a_200011292268_100000210682 [0,1,0,0,0,0|1,0,0]=2 4314 B13R0.54 CC(C)CCCCCSCCCCF 62a_100000210682_100000729493 [0,1,0,0,0,0|2,0,1]=4 4315 B13R0.54 CC(C)CCCCCSCCCCF 62a_100000729493_100000210682 [0,1,0,0,0,0|2,0,1]=4 4316 B13R0.54 CC(C)CCCCCSCCCCO 62a_100000210682_100000210776 [0,1,0,0,0,0|1,0,2]=4 4317 B13R0.54 CC(C)CCCCCSCCCCO 62a_100000210776_100000210682 [0,1,0,0,0,0|1,0,2]=4 4318 B13R0.54 CC(C)CCCCNCCCCCO 2230a_100000762737_100011216152 [0,1,0,0,0,0|1,0,2]=4 4319 B13R0.54 CC(C)CCCCNCCCCCO 34a_100000762737_100011216152 [0,1,0,0,0,0|1,0,2]=4 4320 B13R0.54 CC(C)CCCCOCCCCC#N 7a_100011214890_100000211819 [0,1,0,0,0,0|2,0,1]=4 4321 B13R0.54 CC(C)CCCCOCCCCC=O 7a_100011214890_100000139335 [0,1,0,0,0,0|1,0,0]=2 4322 B13R0.54 CC(C)CCCCOCCCCCBr 34a_100000746331_100011216152 [0,1,0,0,0,0|2,0,1]=4 4323 B13R0.54 CC(C)CCCCOCCCCCBr 7a_100000746331_100011216152 [0,1,0,0,0,0|2,0,1]=4 4324 B13R0.54 CC(C)CCCCOCCCCCCl 34a_100000746330_100011216152 [0,1,0,0,0,0|2,0,1]=4 4325 B13R0.54 CC(C)CCCCOCCCCCCl 7a_100000746330_100011216152 [0,1,0,0,0,0|2,0,1]=4 4326 B13R0.54 CC(C)CCCCOCCCCCF 34a_100011214890_100000729378 [0,1,0,0,0,0|2,0,1]=4 4327 B13R0.54 CC(C)CCCCOCCCCCF 7a_100011214890_100000729378 [0,1,0,0,0,0|2,0,1]=4 4328 B13R0.54 CC(C)CCCCOCCCCCI 34a_200012148887_100011216152 [0,1,0,0,0,0|2,0,1]=4 4329 B13R0.54 CC(C)CCCCOCCCCCI 7a_200012148887_100011216152 [0,1,0,0,0,0|2,0,1]=4 4330 B13R0.54 CC(C)CCCCOCCCCCN 34a_100000762737_100011216152 [0,1,0,0,0,0|2,0,1]=4 4331 B13R0.54 CC(C)CCCCOCCCCCO 34a_100011214890_100000746330 [0,1,0,0,0,0|1,0,2]=4 4332 B13R0.54 CC(C)CCCCOCCCCCO 7a_100011214890_100000746330 [0,1,0,0,0,0|1,0,2]=4 4333 B13R0.54 CC(C)CCCCSCCCCC#N 62a_100011216152_100000211819 [0,1,0,0,0,0|2,0,1]=4 4334 B13R0.54 CC(C)CCCCSCCCCC#N 62a_100011219923_100011216152 [0,1,0,0,0,0|2,0,1]=4 4335 B13R0.54 CC(C)CCCCSCCCCC=O 62a_100000139335_100011216152 [0,1,0,0,0,0|1,0,0]=2 4336 B13R0.54 CC(C)CCCCSCCCCC=O 62a_100011216152_100000139335 [0,1,0,0,0,0|1,0,0]=2 4337 B13R0.54 CC(C)CCCCSCCCCCF 62a_100000729378_100011216152 [0,1,0,0,0,0|2,0,1]=4 4338 B13R0.54 CC(C)CCCCSCCCCCF 62a_100011216152_100000729378 [0,1,0,0,0,0|2,0,1]=4 4339 B13R0.54 CC(C)CCCCSCCCCCO 62a_100000746330_100011216152 [0,1,0,0,0,0|1,0,2]=4 4340 B13R0.54 CC(C)CCCCSCCCCCO 62a_100011216152_100000746330 [0,1,0,0,0,0|1,0,2]=4 4341 B13R0.54 CC(C)CCCNCCCCCC#N 2230a_200000737386_100009813376 [0,1,0,0,0,0|2,0,1]=4 4342 B13R0.54 CC(C)CCCNCCCCCC=O 2230a_200000737386_100000139337 [0,1,0,0,0,0|1,0,0]=2 4343 B13R0.54 CC(C)CCCNCCCCCCF 2230a_200000737386_100015922095 [0,1,0,0,0,0|2,0,1]=4 4344 B13R0.54 CC(C)CCCNCCCCCCF 34a_200000737386_100015922095 [0,1,0,0,0,0|2,0,1]=4 4345 B13R0.54 CC(C)CCCNCCCCCCO 2230a_100000686447_100011214892 [0,1,0,0,0,0|1,0,2]=4 4346 B13R0.54 CC(C)CCCNCCCCCCO 2230a_200000737386_100000766143 [0,1,0,0,0,0|1,0,2]=4 4347 B13R0.54 CC(C)CCCNCCCCCCO 34a_100000686447_100011214892 [0,1,0,0,0,0|1,0,2]=4 4348 B13R0.54 CC(C)CCCNCCCCCCO 34a_200000737386_100000766143 [0,1,0,0,0,0|1,0,2]=4 4349 B13R0.54 CC(C)CCCOCCCCCC#N 7a_100000210774_100009813376 [0,1,0,0,0,0|2,0,1]=4 4350 B13R0.54 CC(C)CCCOCCCCCC=O 7a_100000210774_100000139337 [0,1,0,0,0,0|1,0,0]=2 4351 B13R0.54 CC(C)CCCOCCCCCCBr 34a_100011215345_100011214892 [0,1,0,0,0,0|2,0,1]=4 4352 B13R0.54 CC(C)CCCOCCCCCCBr 7a_100011215345_100011214892 [0,1,0,0,0,0|2,0,1]=4 4353 B13R0.54 CC(C)CCCOCCCCCCCl 34a_100000766143_100011214892 [0,1,0,0,0,0|2,0,1]=4 4354 B13R0.54 CC(C)CCCOCCCCCCCl 7a_100000766143_100011214892 [0,1,0,0,0,0|2,0,1]=4 4355 B13R0.54 CC(C)CCCOCCCCCCF 34a_100000210774_100015922095 [0,1,0,0,0,0|2,0,1]=4 4356 B13R0.54 CC(C)CCCOCCCCCCF 34a_100000732779_100011214892 [0,1,0,0,0,0|2,0,1]=4 4357 B13R0.54 CC(C)CCCOCCCCCCF 7a_100000210774_100015922095 [0,1,0,0,0,0|2,0,1]=4 4358 B13R0.54 CC(C)CCCOCCCCCCF 7a_100000732779_100011214892 [0,1,0,0,0,0|2,0,1]=4 4359 B13R0.54 CC(C)CCCOCCCCCCN 34a_100000686447_100011214892 [0,1,0,0,0,0|2,0,1]=4 4360 B13R0.54 CC(C)CCCOCCCCCCO 34a_100000210774_100000766143 [0,1,0,0,0,0|1,0,2]=4 4361 B13R0.54 CC(C)CCCOCCCCCCO 7a_100000210774_100000766143 [0,1,0,0,0,0|1,0,2]=4 4362 B13R0.54 CC(C)CCCSCCCCCC#N 62a_100009813376_100011214892 [0,1,0,0,0,0|2,0,1]=4 4363 B13R0.54 CC(C)CCCSCCCCCC#N 62a_100011214892_100009813376 [0,1,0,0,0,0|2,0,1]=4 4364 B13R0.54 CC(C)CCCSCCCCCC=O 62a_100000139337_100011214892 [0,1,0,0,0,0|1,0,0]=2 4365 B13R0.54 CC(C)CCCSCCCCCC=O 62a_100011214892_100000139337 [0,1,0,0,0,0|1,0,0]=2 4366 B13R0.54 CC(C)CCCSCCCCCCF 62a_100011214892_100015922095 [0,1,0,0,0,0|2,0,1]=4 4367 B13R0.54 CC(C)CCCSCCCCCCF 62a_100015922095_100011214892 [0,1,0,0,0,0|2,0,1]=4 4368 B13R0.54 CC(C)CCCSCCCCCCO 62a_100000766143_100011214892 [0,1,0,0,0,0|1,0,2]=4 4369 B13R0.54 CC(C)CCCSCCCCCCO 62a_100011214892_100000766143 [0,1,0,0,0,0|1,0,2]=4 4370 B13R0.54 CC(C)CCNCCCCCCCO 2230a_100011996573_100000210312 [0,1,0,0,0,0|1,0,2]=4 4371 B13R0.54 CC(C)CCNCCCCCCCO 269862a_100011996573_100000185833 [0,1,0,0,0,0|1,0,2]=4 4372 B13R0.54 CC(C)CCNCCCCCCCO 34a_100011996573_100000210312 [0,1,0,0,0,0|1,0,2]=4 4373 B13R0.54 CC(C)CCOCCCCCCC#N 7a_100000210254_100009813337 [0,1,0,0,0,0|2,0,1]=4 4374 B13R0.54 CC(C)CCOCCCCCCCBr 34a_100000760002_100000210312 [0,1,0,0,0,0|2,0,1]=4 4375 B13R0.54 CC(C)CCOCCCCCCCBr 7a_100000760002_100000210626 [0,1,0,0,0,0|2,0,1]=4 4376 B13R0.54 CC(C)CCOCCCCCCCN 34a_100011996573_100000210312 [0,1,0,0,0,0|2,0,1]=4 4377 B13R0.54 CC(C)CCOCCCCCCCO 34a_100000210254_100000760002 [0,1,0,0,0,0|1,0,2]=4 4378 B13R0.54 CC(C)CCOCCCCCCCO 7a_100000210254_100000760002 [0,1,0,0,0,0|1,0,2]=4 4379 B13R0.54 CC(C)CCSCCCCCCC#N 62a_100000210312_100009813337 [0,1,0,0,0,0|2,0,1]=4 4380 B13R0.54 CC(C)CCSCCCCCCC#N 62a_100009813337_100000210312 [0,1,0,0,0,0|2,0,1]=4 4381 B13R0.54 CC(C)CCSCCCCCCCO 62a_100000210312_100000760002 [0,1,0,0,0,0|1,0,2]=4 4382 B13R0.54 CC(C)CCSCCCCCCCO 62a_100000760002_100000210312 [0,1,0,0,0,0|1,0,2]=4 4383 B13R0.54 CC(C)CNCCCCCCCCO 2230a_100000210953_100000033203 [0,1,0,0,0,0|1,0,2]=4 4384 B13R0.54 CC(C)CNCCCCCCCCO 2230a_102515433106_100000210760 [0,1,0,0,0,0|1,0,2]=4 4385 B13R0.54 CC(C)CNCCCCCCCCO 270004a_102515433106_100000210432 [0,1,0,0,0,0|1,0,2]=4 4386 B13R0.54 CC(C)CNCCCCCCCCO 34a_100000210953_100000033203 [0,1,0,0,0,0|1,0,2]=4 4387 B13R0.54 CC(C)CNCCCCCCCCO 34a_102515433106_100000210624 [0,1,0,0,0,0|1,0,2]=4 4388 B13R0.54 CC(C)COCCCCCCCCBr 34a_100009813846_100000210624 [0,1,0,0,0,0|2,0,1]=4 4389 B13R0.54 CC(C)COCCCCCCCCBr 7a_100009813846_100000210760 [0,1,0,0,0,0|2,0,1]=4 4390 B13R0.54 CC(C)COCCCCCCCCCl 34a_100000033203_100000210624 [0,1,0,0,0,0|2,0,1]=4 4391 B13R0.54 CC(C)COCCCCCCCCCl 7a_100000033203_100000210760 [0,1,0,0,0,0|2,0,1]=4 4392 B13R0.54 CC(C)COCCCCCCCCN 34a_102515433106_100000210624 [0,1,0,0,0,0|2,0,1]=4 4393 B13R0.54 CC(C)COCCCCCCCCO 34a_100000210257_100000033203 [0,1,0,0,0,0|1,0,2]=4 4394 B13R0.54 CC(C)COCCCNCCCC=O 2230a_100000205972_200011292268 [0,1,0,0,0,0|2,0,0]=3 4395 B13R0.54 CC(C)COCCOCCCCC=O 7a_100000703358_100000139335 [0,1,0,0,0,0|2,0,0]=3 4396 B13R0.54 CC(C)CSCCCCCCCCO 62a_100000033203_100000210760 [0,1,0,0,0,0|1,0,2]=4 4397 B13R0.54 CC(C)CSCCCCCCCCO 62a_100000210624_100000033203 [0,1,0,0,0,0|1,0,2]=4 4398 B13R0.54 CC(C)CSCCOCCCCC=O 7a_200000230437_100000139335 [0,1,0,0,0,0|2,0,0]=3 4399 B13R0.54 CC(C)NCCCCCCCCCO 2230a_100000078944_100000210206 [0,1,0,0,0,0|1,0,2]=4 4400 B13R0.54 CC(C)NCCCCCCCCCO 2230a_100138425928_100009813782 [0,1,0,0,0,0|1,0,2]=4 4401 B13R0.54 CC(C)NCCCCCCCCCO 34a_100000078944_100000210206 [0,1,0,0,0,0|1,0,2]=4 4402 B13R0.54 CC(C)NCCCCCCCCCO 34a_100138425928_100009813782 [0,1,0,0,0,0|1,0,2]=4 4403 B13R0.54 CC(C)OCCCCCCCCCBr 34a_100009813782_100000210206 [0,1,0,0,0,0|2,0,1]=4 4404 B13R0.54 CC(C)OCCCCCCCCCBr 7a_100009813782_100000210206 [0,1,0,0,0,0|2,0,1]=4 4405 B13R0.54 CC(C)OCCCCCCCCCCl 34a_100009868337_100000210206 [0,1,0,0,0,0|2,0,1]=4 4406 B13R0.54 CC(C)OCCCCCCCCCCl 7a_100009868337_100000210206 [0,1,0,0,0,0|2,0,1]=4 4407 B13R0.54 CC(C)OCCCCCCCCCN 34a_100000078944_100000210206 [0,1,0,0,0,0|2,0,1]=4 4408 B13R0.54 CC(C)OCCCCCCCCCO 34a_100000212225_100009813782 [0,1,0,0,0,0|1,0,2]=4 4409 B13R0.54 CC(C)OCCCNCCCCC=O 2230a_100000737246_100000139335 [0,1,0,0,0,0|2,0,0]=3 4410 B13R0.54 CC(C)OCCNCCCCCC=O 2230a_100000701111_100000139337 [0,1,0,0,0,0|2,0,0]=3 4411 B13R0.54 CC(C)OCCOCCCCCC=O 7a_100000211219_100000139337 [0,1,0,0,0,0|2,0,0]=3 4412 B13R0.54 CC(C)OCCSCCCCCC=O 62a_100000139337_100000211751 [0,1,0,0,0,0|2,0,0]=3 4413 B13R0.54 CC(C)OCCSCCCCCC=O 62a_100000211751_100000139337 [0,1,0,0,0,0|2,0,0]=3 4414 B13R0.54 CC(C)SCCCCCCCCCO 62a_100000210206_100009813782 [0,1,0,0,0,0|1,0,2]=4 4415 B13R0.54 CC(C)SCCCCCCCCCO 62a_100009813782_100000210206 [0,1,0,0,0,0|1,0,2]=4 4416 B13R0.54 CC(C)SCCNCCCCCC=O 2230a_100000731138_100000139337 [0,1,0,0,0,0|2,0,0]=3 4417 B13R0.54 CC(C)SCCOCCCCCC=O 7a_200011212901_100000139337 [0,1,0,0,0,0|2,0,0]=3 4418 B13R0.54 CC(C)SCCSCCCCCC=O 62a_100000139337_100000730970 [0,1,0,0,0,0|2,0,0]=3 4419 B13R0.54 CC(C)SCCSCCCCCC=O 62a_100000730970_100000139337 [0,1,0,0,0,0|2,0,0]=3 4420 B13R0.54 CC(F)COCCCCCCCCO 34a_100015925927_100000033203 [0,1,0,0,0,0|1,0,2]=4 4421 B13R0.54 CC(O)CCCNCCCCCCO 2230a_100000686447_200000718107 [0,1,0,0,0,0|1,0,2]=4 4422 B13R0.54 CC(O)CCCNCCCCCCO 34a_100000686447_200000718107 [0,1,0,0,0,0|1,0,2]=4 4423 B13R0.54 CC(O)CCCOCCCCCCBr 34a_100011215345_200000718107 [0,1,0,0,0,0|2,0,1]=4 4424 B13R0.54 CC(O)CCCOCCCCCCBr 7a_100011215345_200000718107 [0,1,0,0,0,0|2,0,1]=4 4425 B13R0.54 CC(O)CCCOCCCCCCCl 34a_100000766143_200000718107 [0,1,0,0,0,0|2,0,1]=4 4426 B13R0.54 CC(O)CCCOCCCCCCCl 7a_100000766143_200000718107 [0,1,0,0,0,0|2,0,1]=4 4427 B13R0.54 CC(O)CCCOCCCCCCF 34a_100000732779_200000718107 [0,1,0,0,0,0|2,0,1]=4 4428 B13R0.54 CC(O)CCCOCCCCCCF 7a_100000732779_200000718107 [0,1,0,0,0,0|2,0,1]=4 4429 B13R0.54 CC(O)CCCOCCCCCCN 34a_100000686447_200000718107 [0,1,0,0,0,0|2,0,1]=4 4430 B13R0.54 CC(O)CCCSCCCCCC#N 62a_100009813376_200000718107 [0,1,0,0,0,0|2,0,1]=4 4431 B13R0.54 CC(O)CCCSCCCCCC#N 62a_200000718107_100009813376 [0,1,0,0,0,0|2,0,1]=4 4432 B13R0.54 CC(O)CCCSCCCCCC=O 62a_100000139337_200000718107 [0,1,0,0,0,0|1,0,0]=2 4433 B13R0.54 CC(O)CCCSCCCCCC=O 62a_200000718107_100000139337 [0,1,0,0,0,0|1,0,0]=2 4434 B13R0.54 CC(O)CCCSCCCCCCF 62a_100015922095_200000718107 [0,1,0,0,0,0|2,0,1]=4 4435 B13R0.54 CC(O)CCCSCCCCCCF 62a_200000718107_100015922095 [0,1,0,0,0,0|2,0,1]=4 4436 B13R0.54 CC(O)CCCSCCCCCCO 62a_100000766143_200000718107 [0,1,0,0,0,0|1,0,2]=4 4437 B13R0.54 CC(O)CCCSCCCCCCO 62a_200000718107_100000766143 [0,1,0,0,0,0|1,0,2]=4 4438 B13R0.54 CC(O)CCNCCCCCCC#N 2230a_200000755665_100009813337 [0,1,0,0,0,0|2,0,1]=4 4439 B13R0.54 CC(O)CCNCCCCCCCO 2230a_100011996573_100012276601 [0,1,0,0,0,0|1,0,2]=4 4440 B13R0.54 CC(O)CCNCCCCCCCO 2230a_200000755665_100000760002 [0,1,0,0,0,0|1,0,2]=4 4441 B13R0.54 CC(O)CCNCCCCCCCO 34a_100011996573_100012276601 [0,1,0,0,0,0|1,0,2]=4 4442 B13R0.54 CC(O)CCOCCCCCCCBr 34a_100000760002_100012276601 [0,1,0,0,0,0|2,0,1]=4 4443 B13R0.54 CC(O)CCOCCCCCCCBr 7a_100000760002_100012276601 [0,1,0,0,0,0|2,0,1]=4 4444 B13R0.54 CC(O)CCOCCCCCCCN 34a_100011996573_100012276601 [0,1,0,0,0,0|2,0,1]=4 4445 B13R0.54 CC(O)CCSCCCCCCC#N 62a_100009813337_100012276601 [0,1,0,0,0,0|2,0,1]=4 4446 B13R0.54 CC(O)CCSCCCCCCC#N 62a_100012276601_100009813337 [0,1,0,0,0,0|2,0,1]=4 4447 B13R0.54 CC(O)CCSCCCCCCCO 62a_100000760002_100012276601 [0,1,0,0,0,0|1,0,2]=4 4448 B13R0.54 CC(O)CCSCCCCCCCO 62a_100012276601_100000760002 [0,1,0,0,0,0|1,0,2]=4 4449 B13R0.54 CC(O)CNCCCCCCCCO 2230a_100000210904_100000033203 [0,1,0,0,0,0|1,0,2]=4 4450 B13R0.54 CC(O)CNCCCCCCCCO 2230a_102515433106_100011218427 [0,1,0,0,0,0|1,0,2]=4 4451 B13R0.54 CC(O)CNCCCCCCCCO 34a_100000210904_100000033203 [0,1,0,0,0,0|1,0,2]=4 4452 B13R0.54 CC(O)CNCCCCCCCCO 34a_102515433106_100011218427 [0,1,0,0,0,0|1,0,2]=4 4453 B13R0.54 CC(O)COCCCCCCCCBr 34a_100009813846_100011218427 [0,1,0,0,0,0|2,0,1]=4 4454 B13R0.54 CC(O)COCCCCCCCCBr 7a_100009813846_100011218427 [0,1,0,0,0,0|2,0,1]=4 4455 B13R0.54 CC(O)COCCCCCCCCCl 34a_100000033203_100011218427 [0,1,0,0,0,0|2,0,1]=4 4456 B13R0.54 CC(O)COCCCCCCCCCl 7a_100000033203_100011218427 [0,1,0,0,0,0|2,0,1]=4 4457 B13R0.54 CC(O)COCCCCCCCCN 34a_102515433106_100011218427 [0,1,0,0,0,0|2,0,1]=4 4458 B13R0.54 CC(O)CSCCCCCCCCO 62a_100000033203_100011218427 [0,1,0,0,0,0|1,0,2]=4 4459 B13R0.54 CC(O)CSCCCCCCCCO 62a_100011218427_100000033203 [0,1,0,0,0,0|1,0,2]=4 4460 B13R0.54 CC/C=C/CCCOCCCC(=O)C 34a_100016287902_100000685027 [0,1,0,0,0,0|1,0,2]=4 4461 B13R0.54 CC/C=C/CCCOCCCC(=O)C 7a_100016287902_100011215641 [0,1,0,0,0,0|1,0,2]=4 4462 B13R0.54 CC/C=C/CCCOCCCC(=O)N 34a_100016287902_100102525003 [0,1,0,0,0,0|1,0,2]=4 4463 B13R0.54 CC/C=C/CCCOCCCC(=O)N 7a_100016287902_100102525003 [0,1,0,0,0,0|1,0,2]=4 4464 B13R0.54 CC/C=C\CCCCCOCC(=O)N 34a_100016268722_100000187820 [0,1,0,0,0,0|1,0,2]=4 4465 B13R0.54 CC/C=C\CCCCCOCC(=O)N 7a_100016268722_100000187820 [0,1,0,0,0,0|1,0,2]=4 4466 B13R0.54 CC/C=C\CCCCCOCC(=O)[O-] 34a_100016268722_100020667443 [0,1,0,0,0,0|1,0,2]=4 4467 B13R0.54 CC/C=C\CCCCOCCC(=O)C 7a_100016287862_100000053229 [0,1,0,0,0,0|1,0,2]=4 4468 B13R0.54 CC/C=C\CCCCOCCC(=O)N 34a_100016287862_100000731001 [0,1,0,0,0,0|1,0,2]=4 4469 B13R0.54 CC/C=C\CCCCOCCC(=O)N 7a_100016287862_100000744528 [0,1,0,0,0,0|1,0,2]=4 4470 B13R0.54 CC/C=C\CCNCCCCC(=O)N 34a_100000696515_100015370543 [0,1,0,0,0,0|1,0,2]=4 4471 B13R0.54 CC/C=C\CCOCCCCC(=O)C 34a_100016288707_100009817362 [0,1,0,0,0,0|1,0,2]=4 4472 B13R0.54 CC/C=C\CCOCCCCC(=O)C 7a_100016288707_100000735457 [0,1,0,0,0,0|1,0,2]=4 4473 B13R0.54 CC/C=C\CCOCCCCC(=O)N 34a_100012022536_100015370543 [0,1,0,0,0,0|1,0,2]=4 4474 B13R0.54 CC/C=C\CCOCCCCC(=O)N 7a_100012022536_100015370543 [0,1,0,0,0,0|1,0,2]=4 4475 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100000735457_100015370543 [0,1,0,0,0,0|1,0,2]=4 4476 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100015370543_100000735457 [0,1,0,0,0,0|1,0,2]=4 4477 B13R0.54 CC/C=C\COCCCCCC(=O)N 34a_100000123541_100103147603 [0,1,0,0,0,0|1,0,2]=4 4478 B13R0.54 CC/C=C\COCCCCCC(=O)N 34a_100016268518_100009817443 [0,1,0,0,0,0|1,0,2]=4 4479 B13R0.54 CC/C=C\COCCCCCC(=O)N 7a_100000123541_100103147603 [0,1,0,0,0,0|1,0,2]=4 4480 B13R0.54 CC/C=C\COCCCCCC(=O)[O-] 7a_100102619762_100103147603 [0,1,0,0,0,0|1,0,2]=4 4481 B13R0.54 CC/C=C\CSCCCCCC(=O)N 62a_100009817443_100103147603 [0,1,0,0,0,0|1,0,2]=4 4482 B13R0.54 CC/C=C\CSCCCCCC(=O)N 62a_100103147603_100009817443 [0,1,0,0,0,0|1,0,2]=4 4483 B13R0.54 CC=CCCCOCCCCC(=O)C 34a_100020645299_100009817362 [0,1,0,0,0,0|1,0,2]=4 4484 B13R0.54 CC=CCCCOCCCCC(C)C 34a_100020645299_100011216152 [0,1,0,0,0,0|2,0,1]=4 4485 B13R0.54 CC=CCNCCCCCCC(C)C 2230a_100000211014_100000070051 [0,1,0,0,0,0|2,0,1]=4 4486 B13R0.54 CC=CCNCCCCCCC(C)C 34a_100000211014_100000070051 [0,1,0,0,0,0|2,0,1]=4 4487 B13R0.54 CCC#CCCOCCCCC(=O)C 34a_100000036655_100009817362 [0,1,0,0,0,0|1,0,2]=4 4488 B13R0.54 CCC#CCCOCCCCC(=O)C 7a_100000036655_100000735457 [0,1,0,0,0,0|1,0,2]=4 4489 B13R0.54 CCC#CCOCCCCCC(=O)N 34a_100000032950_100009817443 [0,1,0,0,0,0|1,0,2]=4 4490 B13R0.54 CCC#CCOCCCCCC(=O)N 34a_100000123541_100009813939 [0,1,0,0,0,0|1,0,2]=4 4491 B13R0.54 CCC#CCOCCCCCC(=O)N 7a_100000123541_100009813939 [0,1,0,0,0,0|1,0,2]=4 4492 B13R0.54 CCC#CCOCCCCCC(=O)[O-] 7a_100102619762_100009813939 [0,1,0,0,0,0|1,0,2]=4 4493 B13R0.54 CCC#CCSCCCCCC(=O)N 62a_100009813939_100009817443 [0,1,0,0,0,0|1,0,2]=4 4494 B13R0.54 CCC#CCSCCCCCC(=O)N 62a_100009817443_100009813939 [0,1,0,0,0,0|1,0,2]=4 4495 B13R0.54 CCC/C=C/COCCCCC(=O)C 34a_100016278788_100009817362 [0,1,0,0,0,0|1,0,2]=4 4496 B13R0.54 CCC/C=C/COCCCCC(=O)C 7a_100016278788_100000735457 [0,1,0,0,0,0|1,0,2]=4 4497 B13R0.54 CCCC#CCCOCCCC(=O)C 34a_100000042726_100000685027 [0,1,0,0,0,0|1,0,2]=4 4498 B13R0.54 CCCC#CCCOCCCC(=O)C 7a_100000042726_100011215641 [0,1,0,0,0,0|1,0,2]=4 4499 B13R0.54 CCCC#CCCOCCCC(=O)N 34a_100000042726_100102525003 [0,1,0,0,0,0|1,0,2]=4 4500 B13R0.54 CCCC#CCCOCCCC(=O)N 7a_100000042726_100102525003 [0,1,0,0,0,0|1,0,2]=4 4501 B13R0.54 CCCC#CCOCCCCC(=O)C 34a_100000034806_100009817362 [0,1,0,0,0,0|1,0,2]=4 4502 B13R0.54 CCCC#CCOCCCCC(=O)C 7a_100000034806_100000735457 [0,1,0,0,0,0|1,0,2]=4 4503 B13R0.54 CCCC/C=C/COCCCC(=O)C 34a_200016272032_100000685027 [0,1,0,0,0,0|1,0,2]=4 4504 B13R0.54 CCCC/C=C/COCCCC(=O)C 7a_200016272032_100011215641 [0,1,0,0,0,0|1,0,2]=4 4505 B13R0.54 CCCC/C=C/COCCCC(=O)N 34a_200016272032_100102525003 [0,1,0,0,0,0|1,0,2]=4 4506 B13R0.54 CCCC/C=C/COCCCC(=O)N 7a_200016272032_100102525003 [0,1,0,0,0,0|1,0,2]=4 4507 B13R0.54 CCCC/C=C\CCOCCC(=O)C 7a_200016286491_100000053229 [0,1,0,0,0,0|1,0,2]=4 4508 B13R0.54 CCCC/C=C\CCOCCC(=O)N 34a_200016286491_100000731001 [0,1,0,0,0,0|1,0,2]=4 4509 B13R0.54 CCCC/C=C\CCOCCC(=O)N 7a_200016286491_100000744528 [0,1,0,0,0,0|1,0,2]=4 4510 B13R0.54 CCCCC#CCCCNCC(=O)N 2230a_100000711301_200000047210 [0,1,0,0,0,0|1,0,2]=4 4511 B13R0.54 CCCCC#CCCCNCC(=O)O 269956a_100016091260_200000047210 [0,1,0,0,0,0|1,0,2]=4 4512 B13R0.54 CCCCC#CCCCOCC(=O)C 34a_100000211253_200000047210 [0,1,0,0,0,0|1,0,2]=4 4513 B13R0.54 CCCCC#CCCCSCC(=O)N 62a_100000747473_200000047210 [0,1,0,0,0,0|1,0,2]=4 4514 B13R0.54 CCCCC#CCCCSCC(=O)N 62a_200000047210_100000747473 [0,1,0,0,0,0|1,0,2]=4 4515 B13R0.54 CCCCC#CCCCSCC(=O)[O-] 62a_100020667443_200000047210 [0,1,0,0,0,0|1,0,2]=4 4516 B13R0.54 CCCCC#CCCCSCC(=O)[O-] 62a_200000047210_100020667443 [0,1,0,0,0,0|1,0,2]=4 4517 B13R0.54 CCCCC#CCCOCCC(=O)C 7a_100000037610_100000053229 [0,1,0,0,0,0|1,0,2]=4 4518 B13R0.54 CCCCC#CCCOCCC(=O)N 34a_100000037610_100000731001 [0,1,0,0,0,0|1,0,2]=4 4519 B13R0.54 CCCCC#CCCOCCC(=O)N 7a_100000037610_100000744528 [0,1,0,0,0,0|1,0,2]=4 4520 B13R0.54 CCCCC#CCOCCCC(=O)C 34a_200000034558_100000685027 [0,1,0,0,0,0|1,0,2]=4 4521 B13R0.54 CCCCC#CCOCCCC(=O)C 7a_200000034558_100011215641 [0,1,0,0,0,0|1,0,2]=4 4522 B13R0.54 CCCCC#CCOCCCC(=O)N 34a_200000034558_100102525003 [0,1,0,0,0,0|1,0,2]=4 4523 B13R0.54 CCCCC#CCOCCCC(=O)N 7a_200000034558_100102525003 [0,1,0,0,0,0|1,0,2]=4 4524 B13R0.54 CCCCC/C=C/COCCC(=O)C 7a_100016258190_100000053229 [0,1,0,0,0,0|1,0,2]=4 4525 B13R0.54 CCCCC/C=C/COCCC(=O)N 34a_100016258190_100000731001 [0,1,0,0,0,0|1,0,2]=4 4526 B13R0.54 CCCCC/C=C/COCCC(=O)N 7a_100016258190_100000744528 [0,1,0,0,0,0|1,0,2]=4 4527 B13R0.54 CCCCC/C=C\CCOCC(=O)N 34a_100016277358_100000187820 [0,1,0,0,0,0|1,0,2]=4 4528 B13R0.54 CCCCC/C=C\CCOCC(=O)N 7a_100016277358_100000187820 [0,1,0,0,0,0|1,0,2]=4 4529 B13R0.54 CCCCC/C=C\CCOCC(=O)[O-] 34a_100016277358_100020667443 [0,1,0,0,0,0|1,0,2]=4 4530 B13R0.54 CCCCCC#CCCOCC(=O)N 34a_200000042877_100000187820 [0,1,0,0,0,0|1,0,2]=4 4531 B13R0.54 CCCCCC#CCCOCC(=O)N 7a_200000042877_100000187820 [0,1,0,0,0,0|1,0,2]=4 4532 B13R0.54 CCCCCC#CCCOCC(=O)[O-] 34a_200000042877_100020667443 [0,1,0,0,0,0|1,0,2]=4 4533 B13R0.54 CCCCCC#CCOCCC(=O)C 34a_100000759926_100009816472 [0,1,0,0,0,0|1,0,2]=4 4534 B13R0.54 CCCCCC#CCOCCC(=O)C 7a_100000759926_100009816472 [0,1,0,0,0,0|1,0,2]=4 4535 B13R0.54 CCCCCC#CCOCCC(=O)C 7a_200000033628_100000053229 [0,1,0,0,0,0|1,0,2]=4 4536 B13R0.54 CCCCCC#CCOCCC(=O)N 34a_100000757172_100009816472 [0,1,0,0,0,0|1,0,2]=4 4537 B13R0.54 CCCCCC#CCOCCC(=O)N 34a_200000033628_100000731001 [0,1,0,0,0,0|1,0,2]=4 4538 B13R0.54 CCCCCC#CCOCCC(=O)N 7a_100000757172_100009816472 [0,1,0,0,0,0|1,0,2]=4 4539 B13R0.54 CCCCCC#CCOCCC(=O)N 7a_200000033628_100000744528 [0,1,0,0,0,0|1,0,2]=4 4540 B13R0.54 CCCCCC#CCSCCC(=O)C 62a_100000053229_100009816472 [0,1,0,0,0,0|1,0,2]=4 4541 B13R0.54 CCCCCC#CCSCCC(=O)C 62a_100009816472_100000053229 [0,1,0,0,0,0|1,0,2]=4 4542 B13R0.54 CCCCCC#CCSCCC(=O)N 62a_100000744528_100009816472 [0,1,0,0,0,0|1,0,2]=4 4543 B13R0.54 CCCCCC#CCSCCC(=O)N 62a_100009816472_100000744528 [0,1,0,0,0,0|1,0,2]=4 4544 B13R0.54 CCCCCC/C=C/COCC(=O)N 34a_200016276170_100000187820 [0,1,0,0,0,0|1,0,2]=4 4545 B13R0.54 CCCCCC/C=C/COCC(=O)N 7a_200016276170_100000187820 [0,1,0,0,0,0|1,0,2]=4 4546 B13R0.54 CCCCCC/C=C/COCC(=O)[O-] 34a_200016276170_100020667443 [0,1,0,0,0,0|1,0,2]=4 4547 B13R0.54 CCCCCCC#CCOCC(=O)N 34a_200000037284_100000187820 [0,1,0,0,0,0|1,0,2]=4 4548 B13R0.54 CCCCCCC#CCOCC(=O)N 7a_200000037284_100000187820 [0,1,0,0,0,0|1,0,2]=4 4549 B13R0.54 CCCCCCC#CCOCC(=O)[O-] 34a_200000037284_100020667443 [0,1,0,0,0,0|1,0,2]=4 4550 B13R0.54 CCCCCCCCC=NNC(=O)C 4a_100000189765_100011218696 [0,1,0,0,0,0|2,0,1]=4 4551 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [0,1,0,0,0,0|0,0,2]=3 4552 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [0,1,0,0,0,0|0,0,2]=3 4553 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [0,1,0,0,0,0|0,0,0]=1 4554 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [0,1,0,0,0,0|0,0,0]=1 4555 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [0,1,0,0,0,0|0,0,0]=1 4556 B13R0.54 CCCCCCCCCCCN(C)C 2230a_100102631434_100011215454 [0,1,0,0,0,0|2,0,0]=3 4557 B13R0.54 CCCCCCCCCCCN(C)C 269982a_100102631434_100011215454 [0,1,0,0,0,0|2,0,0]=3 4558 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [0,1,0,0,0,0|1,0,0]=2 4559 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [0,1,0,0,0,0|1,0,0]=2 4560 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [0,1,0,0,0,0|1,0,0]=2 4561 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [0,1,0,0,0,0|1,0,0]=2 4562 B13R0.54 CCCCCCCCCCNC(C)C 2230a_100000684558_100000210206 [0,1,0,0,0,0|2,0,1]=4 4563 B13R0.54 CCCCCCCCCCNC(C)C 2230a_100138425928_100000210320 [0,1,0,0,0,0|2,0,1]=4 4564 B13R0.54 CCCCCCCCCCNC(C)C 34a_100000684558_100000210206 [0,1,0,0,0,0|2,0,1]=4 4565 B13R0.54 CCCCCCCCCCNC(C)C 34a_100138425928_100000210320 [0,1,0,0,0,0|2,0,1]=4 4566 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000210711_100000210206 [0,1,0,0,0,0|2,0,1]=4 4567 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000212225_100000210320 [0,1,0,0,0,0|2,0,1]=4 4568 B13R0.54 CCCCCCCCCCOC(C)C 7a_100000210711_100000210206 [0,1,0,0,0,0|2,0,1]=4 4569 B13R0.54 CCCCCCCCCCSC(C)C 62a_100000210206_100000210320 [0,1,0,0,0,0|2,0,1]=4 4570 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [0,1,0,0,0,0|1,0,0]=2 4571 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [0,1,0,0,0,0|1,0,0]=2 4572 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [0,1,0,0,0,0|1,0,0]=2 4573 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [0,1,0,0,0,0|1,0,0]=2 4574 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [0,1,0,0,0,0|1,0,0]=2 4575 B13R0.54 CCCCCCCCCNCC(C)C 2230a_100000210953_100011214924 [0,1,0,0,0,0|2,0,1]=4 4576 B13R0.54 CCCCCCCCCNCC(C)C 2230a_100000212291_100000210760 [0,1,0,0,0,0|2,0,1]=4 4577 B13R0.54 CCCCCCCCCNCC(C)C 270004a_100000212291_100000210432 [0,1,0,0,0,0|2,0,1]=4 4578 B13R0.54 CCCCCCCCCNCC(C)C 34a_100000210953_100011214924 [0,1,0,0,0,0|2,0,1]=4 4579 B13R0.54 CCCCCCCCCNCC(C)C 34a_100000212291_100000210624 [0,1,0,0,0,0|2,0,1]=4 4580 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000210904_100011214924 [0,1,0,0,0,0|1,0,2]=4 4581 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000212291_100011218427 [0,1,0,0,0,0|1,0,2]=4 4582 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000210904_100011214924 [0,1,0,0,0,0|1,0,2]=4 4583 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000212291_100011218427 [0,1,0,0,0,0|1,0,2]=4 4584 B13R0.54 CCCCCCCCCNCC(F)F 2230a_100000212291_100011934356 [0,1,0,0,0,0|2,0,1]=4 4585 B13R0.54 CCCCCCCCCNCC(F)F 34a_100000212291_100011934356 [0,1,0,0,0,0|2,0,1]=4 4586 B13R0.54 CCCCCCCCCNCC(F)F 34a_100000765723_100011214924 [0,1,0,0,0,0|2,0,1]=4 4587 B13R0.54 CCCCCCCCCNC[C@@H](C)O 2230a_100000212291_100009817552 [0,1,0,0,0,0|1,0,2]=4 4588 B13R0.54 CCCCCCCCCNC[C@@H](C)O 34a_100000212291_100009817552 [0,1,0,0,0,0|1,0,2]=4 4589 B13R0.54 CCCCCCCCCNC[N+](=O)[O-] 34a_100000212291_100000761209 [0,1,0,0,0,0|2,0,0]=3 4590 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [0,1,0,0,0,0|1,0,0]=2 4591 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [0,1,0,0,0,0|1,0,0]=2 4592 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [0,1,0,0,0,0|1,0,0]=2 4593 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [0,1,0,0,0,0|1,0,0]=2 4594 B13R0.54 CCCCCCCCCOCC(C)Br 34a_100012180447_100011214924 [0,1,0,0,0,0|2,0,1]=4 4595 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210257_100011214924 [0,1,0,0,0,0|2,0,1]=4 4596 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210712_100000210624 [0,1,0,0,0,0|2,0,1]=4 4597 B13R0.54 CCCCCCCCCOCC(C)C 7a_100000210712_100000210760 [0,1,0,0,0,0|2,0,1]=4 4598 B13R0.54 CCCCCCCCCOCC(C)F 34a_100015925927_100011214924 [0,1,0,0,0,0|2,0,1]=4 4599 B13R0.54 CCCCCCCCCOCC(C)O 34a_100000210712_100011218427 [0,1,0,0,0,0|1,0,2]=4 4600 B13R0.54 CCCCCCCCCOCC(C)O 7a_100000210712_100011218427 [0,1,0,0,0,0|1,0,2]=4 4601 B13R0.54 CCCCCCCCCOCC(F)F 34a_100000210712_100011934356 [0,1,0,0,0,0|2,0,1]=4 4602 B13R0.54 CCCCCCCCCOCC(F)F 34a_100000743014_100011214924 [0,1,0,0,0,0|2,0,1]=4 4603 B13R0.54 CCCCCCCCCOCC(F)F 7a_100000210712_100011934356 [0,1,0,0,0,0|2,0,1]=4 4604 B13R0.54 CCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011214924 [0,1,0,0,0,0|2,0,1]=4 4605 B13R0.54 CCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011214924 [0,1,0,0,0,0|2,0,1]=4 4606 B13R0.54 CCCCCCCCCOC[C@@H](C)O 34a_100000210712_100009817552 [0,1,0,0,0,0|1,0,2]=4 4607 B13R0.54 CCCCCCCCCOC[C@@H](C)O 7a_100000210712_100009817552 [0,1,0,0,0,0|1,0,2]=4 4608 B13R0.54 CCCCCCCCCOC[N+](=O)[O-] 34a_100000210712_100000761209 [0,1,0,0,0,0|2,0,0]=3 4609 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [0,1,0,0,0,0|1,0,0]=2 4610 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [0,1,0,0,0,0|1,0,0]=2 4611 B13R0.54 CCCCCCCCCSCC(C)C 62a_100000210624_100000210670 [0,1,0,0,0,0|2,0,1]=4 4612 B13R0.54 CCCCCCCCCSCC(C)O 62a_100011218427_100000210670 [0,1,0,0,0,0|1,0,2]=4 4613 B13R0.54 CCCCCCCCCSCC(F)F 62a_100011934356_100000210670 [0,1,0,0,0,0|2,0,1]=4 4614 B13R0.54 CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210670 [0,1,0,0,0,0|1,0,2]=4 4615 B13R0.54 CCCCCCCCNCC=C(C)C 2230a_100000229939_100000761012 [0,1,0,0,0,0|2,0,1]=4 4616 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000229939_100000761012 [0,1,0,0,0,0|2,0,1]=4 4617 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000718196_100000210759 [0,1,0,0,0,0|2,0,1]=4 4618 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [0,1,0,0,0,0|1,0,0]=2 4619 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [0,1,0,0,0,0|1,0,0]=2 4620 B13R0.54 CCCCCCCCNCCC(C)C 2230a_100000229939_100000210312 [0,1,0,0,0,0|2,0,1]=4 4621 B13R0.54 CCCCCCCCNCCC(C)C 269862a_100000229939_100000185833 [0,1,0,0,0,0|2,0,1]=4 4622 B13R0.54 CCCCCCCCNCCC(C)C 34a_100000229939_100000210312 [0,1,0,0,0,0|2,0,1]=4 4623 B13R0.54 CCCCCCCCNCCC(C)O 2230a_100000229939_100012276601 [0,1,0,0,0,0|1,0,2]=4 4624 B13R0.54 CCCCCCCCNCCC(C)O 2230a_200000755665_100000210759 [0,1,0,0,0,0|1,0,2]=4 4625 B13R0.54 CCCCCCCCNCCC(C)O 34a_100000229939_100012276601 [0,1,0,0,0,0|1,0,2]=4 4626 B13R0.54 CCCCCCCCNCOC(=O)C 34a_100000229939_100009813279 [0,1,0,0,0,0|2,0,0]=3 4627 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [0,1,0,0,0,0|2,0,0]=3 4628 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000210232_100000761012 [0,1,0,0,0,0|2,0,1]=4 4629 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000753907_100000210759 [0,1,0,0,0,0|2,0,1]=4 4630 B13R0.54 CCCCCCCCOCC=C(C)C 7a_100000210232_100000761012 [0,1,0,0,0,0|2,0,1]=4 4631 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [0,1,0,0,0,0|1,0,0]=2 4632 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [0,1,0,0,0,0|1,0,0]=2 4633 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [0,1,0,0,0,0|1,0,0]=2 4634 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [0,1,0,0,0,0|1,0,0]=2 4635 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [0,1,0,0,0,0|1,0,0]=2 4636 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [0,1,0,0,0,0|1,0,0]=2 4637 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [0,1,0,0,0,0|1,0,0]=2 4638 B13R0.54 CCCCCCCCOCCC(C)Br 34a_100009893172_100000210759 [0,1,0,0,0,0|2,0,1]=4 4639 B13R0.54 CCCCCCCCOCCC(C)C 34a_100000210232_100000210312 [0,1,0,0,0,0|2,0,1]=4 4640 B13R0.54 CCCCCCCCOCCC(C)C 34a_100000210254_100000210759 [0,1,0,0,0,0|2,0,1]=4 4641 B13R0.54 CCCCCCCCOCCC(C)C 7a_100000210232_100000210626 [0,1,0,0,0,0|2,0,1]=4 4642 B13R0.54 CCCCCCCCOCCC(C)C 7a_100000210254_100000210759 [0,1,0,0,0,0|2,0,1]=4 4643 B13R0.54 CCCCCCCCOCCC(C)O 34a_100000210232_100012276601 [0,1,0,0,0,0|1,0,2]=4 4644 B13R0.54 CCCCCCCCOCCC(C)O 7a_100000210232_100012276601 [0,1,0,0,0,0|1,0,2]=4 4645 B13R0.54 CCCCCCCCOCCC(F)F 34a_100103093639_100000210759 [0,1,0,0,0,0|2,0,1]=4 4646 B13R0.54 CCCCCCCCOCCN(C)C 7a_100000210232_100000755713 [0,1,0,0,0,0|3,0,0]=4 4647 B13R0.54 CCCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210759 [0,1,0,0,0,0|2,0,1]=4 4648 B13R0.54 CCCCCCCCOCOC(=O)C 34a_100000210232_100009813279 [0,1,0,0,0,0|2,0,0]=3 4649 B13R0.54 CCCCCCCCSCC=C(C)C 62a_100000210759_100000761012 [0,1,0,0,0,0|2,0,1]=4 4650 B13R0.54 CCCCCCCCSCC=C(C)C 62a_100000761012_100000210317 [0,1,0,0,0,0|2,0,1]=4 4651 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [0,1,0,0,0,0|1,0,0]=2 4652 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [0,1,0,0,0,0|1,0,0]=2 4653 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [0,1,0,0,0,0|1,0,0]=2 4654 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [0,1,0,0,0,0|1,0,0]=2 4655 B13R0.54 CCCCCCCCSCCC(C)C 62a_100000210312_100000210317 [0,1,0,0,0,0|2,0,1]=4 4656 B13R0.54 CCCCCCCCSCCC(C)C 62a_100000210759_100000210312 [0,1,0,0,0,0|2,0,1]=4 4657 B13R0.54 CCCCCCCCSCCC(C)O 62a_100000210759_100012276601 [0,1,0,0,0,0|1,0,2]=4 4658 B13R0.54 CCCCCCCCSCCC(C)O 62a_100012276601_100000210317 [0,1,0,0,0,0|1,0,2]=4 4659 B13R0.54 CCCCCCCCSCCN(C)C 62a_100000210759_100000755713 [0,1,0,0,0,0|3,0,0]=4 4660 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000076356_100000210317 [0,1,0,0,0,0|2,0,0]=3 4661 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000210759_100000076356 [0,1,0,0,0,0|2,0,0]=3 4662 B13R0.54 CCCCCCCNCCC=C(C)C 2230a_100000229938_100011217483 [0,1,0,0,0,0|2,0,1]=4 4663 B13R0.54 CCCCCCCNCCC=C(F)F 2230a_100000229938_200009816681 [0,1,0,0,0,0|2,0,1]=4 4664 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [0,1,0,0,0,0|1,0,0]=2 4665 B13R0.54 CCCCCCCNCCCC(C)C 2230a_100000229938_100011214892 [0,1,0,0,0,0|2,0,1]=4 4666 B13R0.54 CCCCCCCNCCCC(C)C 2230a_200000737386_100000210681 [0,1,0,0,0,0|2,0,1]=4 4667 B13R0.54 CCCCCCCNCCCC(C)C 34a_200000737386_100000210614 [0,1,0,0,0,0|2,0,1]=4 4668 B13R0.54 CCCCCCCNCCCC(C)O 2230a_100000229938_200000718107 [0,1,0,0,0,0|1,0,2]=4 4669 B13R0.54 CCCCCCCNCCCS(=O)C 2230a_200000753449_100000210681 [0,1,0,0,0,0|2,0,0]=3 4670 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000209853_100000210681 [0,1,0,0,0,0|2,0,0]=3 4671 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000229938_100000189650 [0,1,0,0,0,0|2,0,0]=3 4672 B13R0.54 CCCCCCCNCCNC(=O)N 2230a_100000229938_200000034859 [0,1,0,0,0,0|2,0,0]=3 4673 B13R0.54 CCCCCCCNCCNC(=O)N 34a_100020590234_100000210614 [0,1,0,0,0,0|2,0,0]=3 4674 B13R0.54 CCCCCCCOCCC=C(C)C 34a_100000210272_100011217483 [0,1,0,0,0,0|2,0,1]=4 4675 B13R0.54 CCCCCCCOCCC=C(C)C 7a_100000210272_100011217483 [0,1,0,0,0,0|2,0,1]=4 4676 B13R0.54 CCCCCCCOCCC=C(F)F 34a_100000210272_200009816681 [0,1,0,0,0,0|2,0,1]=4 4677 B13R0.54 CCCCCCCOCCC=C(F)F 7a_100000210272_200009816681 [0,1,0,0,0,0|2,0,1]=4 4678 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [0,1,0,0,0,0|1,0,0]=2 4679 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [0,1,0,0,0,0|1,0,0]=2 4680 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [0,1,0,0,0,0|1,0,0]=2 4681 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [0,1,0,0,0,0|1,0,0]=2 4682 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [0,1,0,0,0,0|1,0,0]=2 4683 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [0,1,0,0,0,0|1,0,0]=2 4684 B13R0.54 CCCCCCCOCCCC(C)C 34a_100000210272_100011214892 [0,1,0,0,0,0|2,0,1]=4 4685 B13R0.54 CCCCCCCOCCCC(C)C 34a_100000210774_100000210614 [0,1,0,0,0,0|2,0,1]=4 4686 B13R0.54 CCCCCCCOCCCC(C)C 7a_100000210272_100011214892 [0,1,0,0,0,0|2,0,1]=4 4687 B13R0.54 CCCCCCCOCCCC(C)C 7a_100000210774_100000210614 [0,1,0,0,0,0|2,0,1]=4 4688 B13R0.54 CCCCCCCOCCCC(C)O 34a_100000210272_200000718107 [0,1,0,0,0,0|1,0,2]=4 4689 B13R0.54 CCCCCCCOCCCC(C)O 7a_100000210272_200000718107 [0,1,0,0,0,0|1,0,2]=4 4690 B13R0.54 CCCCCCCOCCCN(C)C 7a_100000210272_100000757444 [0,1,0,0,0,0|3,0,0]=4 4691 B13R0.54 CCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210614 [0,1,0,0,0,0|2,0,0]=3 4692 B13R0.54 CCCCCCCOCCNC(=O)C 34a_100000158858_100000210614 [0,1,0,0,0,0|2,0,0]=3 4693 B13R0.54 CCCCCCCOCCNC(=O)C 7a_100000210272_100000189650 [0,1,0,0,0,0|2,0,0]=3 4694 B13R0.54 CCCCCCCOCCNC(=O)N 34a_100000181757_100000210614 [0,1,0,0,0,0|2,0,0]=3 4695 B13R0.54 CCCCCCCOCCNC(=O)N 7a_100000210272_200000034859 [0,1,0,0,0,0|2,0,0]=3 4696 B13R0.54 CCCCCCCOCCOC(=O)C 34a_100000210272_100009814007 [0,1,0,0,0,0|2,0,0]=3 4697 B13R0.54 CCCCCCCOCCOC(=O)C 7a_100000210272_100009814007 [0,1,0,0,0,0|2,0,0]=3 4698 B13R0.54 CCCCCCCOCCOC(=O)N 34a_100000210272_200011214921 [0,1,0,0,0,0|2,0,0]=3 4699 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000210272_200011214921 [0,1,0,0,0,0|2,0,0]=3 4700 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000766696_100000210614 [0,1,0,0,0,0|2,0,0]=3 4701 B13R0.54 CCCCCCCSCCC=C(C)C 62a_100000210614_100011217483 [0,1,0,0,0,0|2,0,1]=4 4702 B13R0.54 CCCCCCCSCCC=C(C)C 62a_100011217483_100000210316 [0,1,0,0,0,0|2,0,1]=4 4703 B13R0.54 CCCCCCCSCCC=C(F)F 62a_100000210614_200009816681 [0,1,0,0,0,0|2,0,1]=4 4704 B13R0.54 CCCCCCCSCCC=C(F)F 62a_200009816681_100000210316 [0,1,0,0,0,0|2,0,1]=4 4705 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [0,1,0,0,0,0|1,0,0]=2 4706 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [0,1,0,0,0,0|1,0,0]=2 4707 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [0,1,0,0,0,0|1,0,0]=2 4708 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [0,1,0,0,0,0|1,0,0]=2 4709 B13R0.54 CCCCCCCSCCCC(C)C 62a_100000210614_100011214892 [0,1,0,0,0,0|2,0,1]=4 4710 B13R0.54 CCCCCCCSCCCC(C)C 62a_100011214892_100000210316 [0,1,0,0,0,0|2,0,1]=4 4711 B13R0.54 CCCCCCCSCCCC(C)O 62a_100000210614_200000718107 [0,1,0,0,0,0|1,0,2]=4 4712 B13R0.54 CCCCCCCSCCCC(C)O 62a_200000718107_100000210316 [0,1,0,0,0,0|1,0,2]=4 4713 B13R0.54 CCCCCCCSCCCN(C)C 62a_100000210614_100000757444 [0,1,0,0,0,0|3,0,0]=4 4714 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000189650_100000210316 [0,1,0,0,0,0|2,0,0]=3 4715 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000210614_100000189650 [0,1,0,0,0,0|2,0,0]=3 4716 B13R0.54 CCCCCCCSCCNC(=O)N 62a_100000210614_200000034859 [0,1,0,0,0,0|2,0,0]=3 4717 B13R0.54 CCCCCCCSCCNC(=O)N 62a_200000034859_100000210316 [0,1,0,0,0,0|2,0,0]=3 4718 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100000210614_100009814007 [0,1,0,0,0,0|2,0,0]=3 4719 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100009814007_100000210316 [0,1,0,0,0,0|2,0,0]=3 4720 B13R0.54 CCCCCCCSCCOC(=O)N 62a_100000210614_200011214921 [0,1,0,0,0,0|2,0,0]=3 4721 B13R0.54 CCCCCCCSCCOC(=O)N 62a_200011214921_100000210316 [0,1,0,0,0,0|2,0,0]=3 4722 B13R0.54 CCCCCCNCCCCB(O)O 2230a_100000210581_200009817182 [0,1,0,0,0,0|2,0,1]=4 4723 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [0,1,0,0,0,0|1,0,0]=2 4724 B13R0.54 CCCCCCNCCCCC(C)C 2230a_100000210581_100011216152 [0,1,0,0,0,0|2,0,1]=4 4725 B13R0.54 CCCCCCNCCCNC(=O)C 34a_100000736810_100000210314 [0,1,0,0,0,0|2,0,0]=3 4726 B13R0.54 CCCCCCNCCCOC(=S)C 2230a_100000210581_200135323944 [0,1,0,0,0,0|2,1,0]=4 4727 B13R0.54 CCCCCCNCCCSC(=O)C 2230a_100000210581_100000038929 [0,1,0,0,0,0|2,0,0]=3 4728 B13R0.54 CCCCCCNCCOCC(=O)N 2230a_100000210581_100000076697 [0,1,0,0,0,0|2,0,0]=3 4729 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [0,1,0,0,0,0|2,0,0]=3 4730 B13R0.54 CCCCCCOCCCCB(O)O 34a_100000210259_200009817182 [0,1,0,0,0,0|2,0,1]=4 4731 B13R0.54 CCCCCCOCCCCB(O)O 7a_100000210259_200009817182 [0,1,0,0,0,0|2,0,1]=4 4732 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [0,1,0,0,0,0|1,0,0]=2 4733 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [0,1,0,0,0,0|1,0,0]=2 4734 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [0,1,0,0,0,0|1,0,0]=2 4735 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [0,1,0,0,0,0|1,0,0]=2 4736 B13R0.54 CCCCCCOCCCCC(C)C 34a_100000210259_100011216152 [0,1,0,0,0,0|2,0,1]=4 4737 B13R0.54 CCCCCCOCCCCC(C)C 34a_100011214890_100000210314 [0,1,0,0,0,0|2,0,1]=4 4738 B13R0.54 CCCCCCOCCCCC(C)C 7a_100000210259_100011216152 [0,1,0,0,0,0|2,0,1]=4 4739 B13R0.54 CCCCCCOCCCCC(C)C 7a_100011214890_100000210314 [0,1,0,0,0,0|2,0,1]=4 4740 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210314 [0,1,0,0,0,0|2,0,0]=3 4741 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210314 [0,1,0,0,0,0|2,0,0]=3 4742 B13R0.54 CCCCCCOCCCNC(=O)C 34a_100000752032_100000210314 [0,1,0,0,0,0|2,0,0]=3 4743 B13R0.54 CCCCCCOCCCOC(=O)C 34a_100000210259_100000042594 [0,1,0,0,0,0|2,0,0]=3 4744 B13R0.54 CCCCCCOCCCOC(=O)C 7a_100000210259_100000042594 [0,1,0,0,0,0|2,0,0]=3 4745 B13R0.54 CCCCCCOCCCOC(=S)C 34a_100000210259_200135323944 [0,1,0,0,0,0|2,1,0]=4 4746 B13R0.54 CCCCCCOCCCOC(=S)C 7a_100000210259_200135323944 [0,1,0,0,0,0|2,1,0]=4 4747 B13R0.54 CCCCCCOCCCSC(=O)C 34a_100000210259_100000038929 [0,1,0,0,0,0|2,0,0]=3 4748 B13R0.54 CCCCCCOCCCSC(=O)C 7a_100000210259_100000038929 [0,1,0,0,0,0|2,0,0]=3 4749 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000210259_100000076697 [0,1,0,0,0,0|2,0,0]=3 4750 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000691444_100000187820 [0,1,0,0,0,0|2,0,0]=3 4751 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000210259_100000076697 [0,1,0,0,0,0|2,0,0]=3 4752 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000691444_100000187820 [0,1,0,0,0,0|2,0,0]=3 4753 B13R0.54 CCCCCCOCCOCC(=O)[O-] 34a_100000691444_100020667443 [0,1,0,0,0,0|2,0,0]=3 4754 B13R0.54 CCCCCCOCCOC[N+](=O)[O-] 34a_100000691444_100000761209 [0,1,0,0,0,0|3,0,0]=4 4755 B13R0.54 CCCCCCSCCCCB(O)O 62a_100000210314_200009817182 [0,1,0,0,0,0|2,0,1]=4 4756 B13R0.54 CCCCCCSCCCCB(O)O 62a_200009817182_100000210757 [0,1,0,0,0,0|2,0,1]=4 4757 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [0,1,0,0,0,0|1,0,0]=2 4758 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [0,1,0,0,0,0|1,0,0]=2 4759 B13R0.54 CCCCCCSCCCCC(C)C 62a_100000210314_100011216152 [0,1,0,0,0,0|2,0,1]=4 4760 B13R0.54 CCCCCCSCCCCC(C)C 62a_100011216152_100000210757 [0,1,0,0,0,0|2,0,1]=4 4761 B13R0.54 CCCCCCSCCCCN(C)C 62a_100000210314_100000690147 [0,1,0,0,0,0|3,0,0]=4 4762 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000042594_100000210757 [0,1,0,0,0,0|2,0,0]=3 4763 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000210314_100000042594 [0,1,0,0,0,0|2,0,0]=3 4764 B13R0.54 CCCCCCSCCCOC(=S)C 62a_100000210314_200135323944 [0,1,0,0,0,0|2,1,0]=4 4765 B13R0.54 CCCCCCSCCCOC(=S)C 62a_200135323944_100000210757 [0,1,0,0,0,0|2,1,0]=4 4766 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000038929_100000210757 [0,1,0,0,0,0|2,0,0]=3 4767 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000210314_100000038929 [0,1,0,0,0,0|2,0,0]=3 4768 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000076697_100000210757 [0,1,0,0,0,0|2,0,0]=3 4769 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000210314_100000076697 [0,1,0,0,0,0|2,0,0]=3 4770 B13R0.54 CCCCCNCCCCCB(O)O 2230a_100000209983_200009817188 [0,1,0,0,0,0|2,0,1]=4 4771 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [0,1,0,0,0,0|1,0,0]=2 4772 B13R0.54 CCCCCNCCCCCC(C)C 2230a_100000209983_100000210682 [0,1,0,0,0,0|2,0,1]=4 4773 B13R0.54 CCCCCNCCCCCC(C)C 2230a_100011290863_100000210326 [0,1,0,0,0,0|2,0,1]=4 4774 B13R0.54 CCCCCNCCCCCC(C)C 34a_100011290863_100000718602 [0,1,0,0,0,0|2,0,1]=4 4775 B13R0.54 CCCCCNCCCCNC(=O)C 2230a_200011368371_100000210326 [0,1,0,0,0,0|2,0,0]=3 4776 B13R0.54 CCCCCNCCCCNC(=O)C 34a_200011368371_100000718602 [0,1,0,0,0,0|2,0,0]=3 4777 B13R0.54 CCCCCNCCCCSC(=O)C 2230a_100000209983_200010402107 [0,1,0,0,0,0|2,0,0]=3 4778 B13R0.54 CCCCCNCCOCCC(=O)N 34a_100000224656_100000731001 [0,1,0,0,0,0|2,0,0]=3 4779 B13R0.54 CCCCCNCCOCOC(=O)C 34a_100000224656_100009813279 [0,1,0,0,0,0|3,0,0]=4 4780 B13R0.54 CCCCCOCCCCCB(O)O 34a_100000210253_200009817188 [0,1,0,0,0,0|2,0,1]=4 4781 B13R0.54 CCCCCOCCCCCB(O)O 7a_100000210253_200009817188 [0,1,0,0,0,0|2,0,1]=4 4782 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [0,1,0,0,0,0|1,0,0]=2 4783 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [0,1,0,0,0,0|1,0,0]=2 4784 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [0,1,0,0,0,0|1,0,0]=2 4785 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [0,1,0,0,0,0|1,0,0]=2 4786 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [0,1,0,0,0,0|1,0,0]=2 4787 B13R0.54 CCCCCOCCCCCC(C)C 34a_100000210253_100000210682 [0,1,0,0,0,0|2,0,1]=4 4788 B13R0.54 CCCCCOCCCCCC(C)C 34a_100011995859_100000718602 [0,1,0,0,0,0|2,0,1]=4 4789 B13R0.54 CCCCCOCCCCCC(C)C 7a_100000210253_100000210682 [0,1,0,0,0,0|2,0,1]=4 4790 B13R0.54 CCCCCOCCCCCC(C)C 7a_100011995859_100000210326 [0,1,0,0,0,0|2,0,1]=4 4791 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000073216_100000718602 [0,1,0,0,0,0|2,0,0]=3 4792 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000210253_100000033659 [0,1,0,0,0,0|2,0,0]=3 4793 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000073216_100000210326 [0,1,0,0,0,0|2,0,0]=3 4794 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000210253_100000033659 [0,1,0,0,0,0|2,0,0]=3 4795 B13R0.54 CCCCCOCCCCO[N+](=O)[O-] 34a_100000210253_100015694321 [0,1,0,0,0,0|3,0,0]=4 4796 B13R0.54 CCCCCOCCCCO[N+](=O)[O-] 7a_100000210253_100015694321 [0,1,0,0,0,0|3,0,0]=4 4797 B13R0.54 CCCCCOCCCCSC(=O)C 34a_100000210253_200010402107 [0,1,0,0,0,0|2,0,0]=3 4798 B13R0.54 CCCCCOCCCCSC(=O)C 7a_100000210253_200010402107 [0,1,0,0,0,0|2,0,0]=3 4799 B13R0.54 CCCCCOCCOCCC(=O)C 7a_100011215259_100000053229 [0,1,0,0,0,0|2,0,0]=3 4800 B13R0.54 CCCCCOCCOCCC(=O)N 34a_100011215259_100000731001 [0,1,0,0,0,0|2,0,0]=3 4801 B13R0.54 CCCCCOCCOCCC(=O)N 7a_100011215259_100000744528 [0,1,0,0,0,0|2,0,0]=3 4802 B13R0.54 CCCCCOCCOCOC(=O)C 34a_100011215259_100009813279 [0,1,0,0,0,0|3,0,0]=4 4803 B13R0.54 CCCCCOCOCCOC(=O)C 34a_100000210253_100000076355 [0,1,0,0,0,0|3,0,0]=4 4804 B13R0.54 CCCCCSCCCCCB(O)O 62a_100000210326_200009817188 [0,1,0,0,0,0|2,0,1]=4 4805 B13R0.54 CCCCCSCCCCCB(O)O 62a_200009817188_100000210326 [0,1,0,0,0,0|2,0,1]=4 4806 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [0,1,0,0,0,0|1,0,0]=2 4807 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [0,1,0,0,0,0|1,0,0]=2 4808 B13R0.54 CCCCCSCCCCCC(C)C 62a_100000210326_100000210682 [0,1,0,0,0,0|2,0,1]=4 4809 B13R0.54 CCCCCSCCCCCC(C)C 62a_100000210682_100000210326 [0,1,0,0,0,0|2,0,1]=4 4810 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000033659_100000210326 [0,1,0,0,0,0|2,0,0]=3 4811 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000210326_100000033659 [0,1,0,0,0,0|2,0,0]=3 4812 B13R0.54 CCCCCSCCCCO[N+](=O)[O-] 62a_100000210326_100015694321 [0,1,0,0,0,0|3,0,0]=4 4813 B13R0.54 CCCCCSCCCCSC(=O)C 62a_100000210326_200010402107 [0,1,0,0,0,0|2,0,0]=3 4814 B13R0.54 CCCCCSCCCCSC(=O)C 62a_200010402107_100000210326 [0,1,0,0,0,0|2,0,0]=3 4815 B13R0.54 CCCCCSCOCCOC(=O)C 62a_100000076355_100000210326 [0,1,0,0,0,0|3,0,0]=4 4816 B13R0.54 CCCCCSCOCCOC(=O)C 62a_100000210326_100000076355 [0,1,0,0,0,0|3,0,0]=4 4817 B13R0.54 CCCCNCCCCCCB(O)O 2230a_100000102301_100009817187 [0,1,0,0,0,0|2,0,1]=4 4818 B13R0.54 CCCCNCCCCCCB(O)O 7a_106832991798_100009817187 [0,1,0,0,0,0|2,0,1]=4 4819 B13R0.54 CCCCNCCCCCCC(C)C 2230a_100000211014_100000210211 [0,1,0,0,0,0|2,0,1]=4 4820 B13R0.54 CCCCNCCCCCCC(C)C 34a_100000211014_100000210210 [0,1,0,0,0,0|2,0,1]=4 4821 B13R0.54 CCCCNCCCCCNC(=O)C 2230a_200012022750_100000210211 [0,1,0,0,0,0|2,0,0]=3 4822 B13R0.54 CCCCNCCCCCNC(=O)C 34a_200012022750_100000210210 [0,1,0,0,0,0|2,0,0]=3 4823 B13R0.54 CCCCNCCCCCOC(=O)C 2230a_100000102301_100009813381 [0,1,0,0,0,0|2,0,0]=3 4824 B13R0.54 CCCCNCCCCCOC(=O)C 7a_106832991798_100000033007 [0,1,0,0,0,0|2,0,0]=3 4825 B13R0.54 CCCCNCCCCOCC(=O)N 34a_200011216965_100000187820 [0,1,0,0,0,0|2,0,0]=3 4826 B13R0.54 CCCCNCCCCOCC(=O)[O-] 34a_200011216965_100020667443 [0,1,0,0,0,0|2,0,0]=3 4827 B13R0.54 CCCCNCCCCOC[N+](=O)[O-] 34a_200011216965_100000761209 [0,1,0,0,0,0|3,0,0]=4 4828 B13R0.54 CCCCNCCOCCOC(=O)C 2230a_100000102301_200000083610 [0,1,0,0,0,0|3,0,0]=4 4829 B13R0.54 CCCCNCCOCCOC(=O)C 7a_106832991798_200000083610 [0,1,0,0,0,0|3,0,0]=4 4830 B13R0.54 CCCCOCCCCCCB(O)O 34a_100000210227_100009817187 [0,1,0,0,0,0|2,0,1]=4 4831 B13R0.54 CCCCOCCCCCCB(O)O 7a_100000210227_100009817187 [0,1,0,0,0,0|2,0,1]=4 4832 B13R0.54 CCCCOCCCCCOC(=O)C 34a_100000210227_100000033007 [0,1,0,0,0,0|2,0,0]=3 4833 B13R0.54 CCCCOCCCCCOC(=O)C 7a_100000210227_100000033007 [0,1,0,0,0,0|2,0,0]=3 4834 B13R0.54 CCCCOCCCCOCC(=O)N 34a_200000760531_100000187820 [0,1,0,0,0,0|2,0,0]=3 4835 B13R0.54 CCCCOCCCCOCC(=O)N 7a_200000760531_100000187820 [0,1,0,0,0,0|2,0,0]=3 4836 B13R0.54 CCCCOCCCCOCC(=O)[O-] 34a_200000760531_100020667443 [0,1,0,0,0,0|2,0,0]=3 4837 B13R0.54 CCCCOCCCCOC[N+](=O)[O-] 34a_200000760531_100000761209 [0,1,0,0,0,0|3,0,0]=4 4838 B13R0.54 CCCCOCCCNCCC(=O)N 2230a_200000211371_100000744528 [0,1,0,0,0,0|2,0,0]=3 4839 B13R0.54 CCCCOCCCNCCC(=O)N 34a_200000211371_100000731001 [0,1,0,0,0,0|2,0,0]=3 4840 B13R0.54 CCCCOCCCNCOC(=O)C 34a_200000211371_100009813279 [0,1,0,0,0,0|3,0,0]=4 4841 B13R0.54 CCCCOCCCOCCC(=O)C 7a_200011215613_100000053229 [0,1,0,0,0,0|2,0,0]=3 4842 B13R0.54 CCCCOCCCOCCC(=O)N 34a_200011215613_100000731001 [0,1,0,0,0,0|2,0,0]=3 4843 B13R0.54 CCCCOCCCOCCC(=O)N 7a_200011215613_100000744528 [0,1,0,0,0,0|2,0,0]=3 4844 B13R0.54 CCCCOCCCOCOC(=O)C 34a_200011215613_100009813279 [0,1,0,0,0,0|3,0,0]=4 4845 B13R0.54 CCCCOCCNCCCC(=O)N 34a_100000739312_100000743108 [0,1,0,0,0,0|2,0,0]=3 4846 B13R0.54 CCCCOCCNCCCS(=O)C 2230a_200000753449_100000743108 [0,1,0,0,0,0|3,0,0]=4 4847 B13R0.54 CCCCOCCNCCNC(=O)C 2230a_100000209853_100000743108 [0,1,0,0,0,0|3,0,0]=4 4848 B13R0.54 CCCCOCCNCCNC(=O)N 34a_100020590234_100000743108 [0,1,0,0,0,0|3,0,0]=4 4849 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000210238_100000685027 [0,1,0,0,0,0|2,0,0]=3 4850 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000759063_100000743108 [0,1,0,0,0,0|2,0,0]=3 4851 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000210238_100011215641 [0,1,0,0,0,0|2,0,0]=3 4852 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000759063_100000743108 [0,1,0,0,0,0|2,0,0]=3 4853 B13R0.54 CCCCOCCOCCCC(=O)N 34a_100000210238_100102525003 [0,1,0,0,0,0|2,0,0]=3 4854 B13R0.54 CCCCOCCOCCCC(=O)N 7a_100000210238_100102525003 [0,1,0,0,0,0|2,0,0]=3 4855 B13R0.54 CCCCOCCOCCC[N+](=O)[O-] 34a_200000037920_100000743108 [0,1,0,0,0,0|3,0,0]=4 4856 B13R0.54 CCCCOCCOCCNC(=O)C 34a_100000158858_100000743108 [0,1,0,0,0,0|3,0,0]=4 4857 B13R0.54 CCCCOCCOCCNC(=O)C 7a_100000210238_100000189650 [0,1,0,0,0,0|3,0,0]=4 4858 B13R0.54 CCCCOCCOCCNC(=O)N 34a_100000181757_100000743108 [0,1,0,0,0,0|3,0,0]=4 4859 B13R0.54 CCCCOCCOCCNC(=O)N 7a_100000210238_200000034859 [0,1,0,0,0,0|3,0,0]=4 4860 B13R0.54 CCCCOCCOCCOC(=O)C 34a_100000210227_200000083610 [0,1,0,0,0,0|3,0,0]=4 4861 B13R0.54 CCCCOCCOCCOC(=O)C 34a_100000210238_100009814007 [0,1,0,0,0,0|3,0,0]=4 4862 B13R0.54 CCCCOCCOCCOC(=O)C 7a_100000210227_200000083610 [0,1,0,0,0,0|3,0,0]=4 4863 B13R0.54 CCCCOCCOCCOC(=O)C 7a_100000210238_100009814007 [0,1,0,0,0,0|3,0,0]=4 4864 B13R0.54 CCCCOCCOCCOC(=O)N 34a_100000210238_200011214921 [0,1,0,0,0,0|3,0,0]=4 4865 B13R0.54 CCCCOCCOCCOC(=O)N 7a_100000210238_200011214921 [0,1,0,0,0,0|3,0,0]=4 4866 B13R0.54 CCCCOCCOCCOC(=O)N 7a_100000766696_100000743108 [0,1,0,0,0,0|3,0,0]=4 4867 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100000743108_100011215641 [0,1,0,0,0,0|2,0,0]=3 4868 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100011215641_100000743108 [0,1,0,0,0,0|2,0,0]=3 4869 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100000743108_100102525003 [0,1,0,0,0,0|2,0,0]=3 4870 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100102525003_100000743108 [0,1,0,0,0,0|2,0,0]=3 4871 B13R0.54 CCCCOCCSCCNC(=O)C 62a_100000189650_100000743108 [0,1,0,0,0,0|3,0,0]=4 4872 B13R0.54 CCCCOCCSCCNC(=O)C 62a_100000743108_100000189650 [0,1,0,0,0,0|3,0,0]=4 4873 B13R0.54 CCCCOCCSCCNC(=O)N 62a_100000743108_200000034859 [0,1,0,0,0,0|3,0,0]=4 4874 B13R0.54 CCCCOCCSCCNC(=O)N 62a_200000034859_100000743108 [0,1,0,0,0,0|3,0,0]=4 4875 B13R0.54 CCCCOCCSCCOC(=O)C 62a_100000743108_100009814007 [0,1,0,0,0,0|3,0,0]=4 4876 B13R0.54 CCCCOCCSCCOC(=O)C 62a_100009814007_100000743108 [0,1,0,0,0,0|3,0,0]=4 4877 B13R0.54 CCCCOCCSCCOC(=O)N 62a_100000743108_200011214921 [0,1,0,0,0,0|3,0,0]=4 4878 B13R0.54 CCCCOCCSCCOC(=O)N 62a_200011214921_100000743108 [0,1,0,0,0,0|3,0,0]=4 4879 B13R0.54 CCCCOCNCCCCC(=O)N 34a_100000696515_100011995733 [0,1,0,0,0,0|2,0,0]=3 4880 B13R0.54 CCCCOCNCCCNC(=O)C 34a_100000736810_100011995733 [0,1,0,0,0,0|3,0,0]=4 4881 B13R0.54 CCCCOCNCCOCC(=O)O 269956a_100000700818_100011995733 [0,1,0,0,0,0|3,0,0]=4 4882 B13R0.54 CCCCOCOCCCCC(=O)N 34a_100012022536_100011995733 [0,1,0,0,0,0|2,0,0]=3 4883 B13R0.54 CCCCOCOCCCC[N+](=O)[O-] 34a_200015379883_100011995733 [0,1,0,0,0,0|3,0,0]=4 4884 B13R0.54 CCCCOCOCCCNC(=O)C 34a_100000752032_100011995733 [0,1,0,0,0,0|3,0,0]=4 4885 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100000735457_100011995733 [0,1,0,0,0,0|2,0,0]=3 4886 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100011995733_100000735457 [0,1,0,0,0,0|2,0,0]=3 4887 B13R0.54 CCCCOCSCCCOC(=O)C 62a_100000042594_100011995733 [0,1,0,0,0,0|3,0,0]=4 4888 B13R0.54 CCCCOCSCCCOC(=O)C 62a_100011995733_100000042594 [0,1,0,0,0,0|3,0,0]=4 4889 B13R0.54 CCCCOCSCCCSC(=O)C 62a_100000038929_100011995733 [0,1,0,0,0,0|3,0,0]=4 4890 B13R0.54 CCCCOCSCCCSC(=O)C 62a_100011995733_100000038929 [0,1,0,0,0,0|3,0,0]=4 4891 B13R0.54 CCCCOCSCCOCC(=O)N 62a_100000076697_100011995733 [0,1,0,0,0,0|3,0,0]=4 4892 B13R0.54 CCCCOCSCCOCC(=O)N 62a_100011995733_100000076697 [0,1,0,0,0,0|3,0,0]=4 4893 B13R0.54 CCCCSCCCCCCB(O)O 62a_100000210211_100009817187 [0,1,0,0,0,0|2,0,1]=4 4894 B13R0.54 CCCCSCCCCCCB(O)O 62a_100009817187_100000210210 [0,1,0,0,0,0|2,0,1]=4 4895 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000033007_100000210210 [0,1,0,0,0,0|2,0,0]=3 4896 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000210211_100000033007 [0,1,0,0,0,0|2,0,0]=3 4897 B13R0.54 CCCCSCCNCCNC(=O)C 2230a_100025743550_100000189650 [0,1,0,0,0,0|3,0,0]=4 4898 B13R0.54 CCCCSCCNCCNC(=O)N 2230a_100025743550_200000034859 [0,1,0,0,0,0|3,0,0]=4 4899 B13R0.54 CCCCSCCOCCCC(=O)C 34a_200000230436_100000685027 [0,1,0,0,0,0|2,0,0]=3 4900 B13R0.54 CCCCSCCOCCCC(=O)C 7a_200000230436_100011215641 [0,1,0,0,0,0|2,0,0]=3 4901 B13R0.54 CCCCSCCOCCCC(=O)N 34a_200000230436_100102525003 [0,1,0,0,0,0|2,0,0]=3 4902 B13R0.54 CCCCSCCOCCCC(=O)N 7a_200000230436_100102525003 [0,1,0,0,0,0|2,0,0]=3 4903 B13R0.54 CCCCSCCOCCNC(=O)C 7a_200000230436_100000189650 [0,1,0,0,0,0|3,0,0]=4 4904 B13R0.54 CCCCSCCOCCNC(=O)N 7a_200000230436_200000034859 [0,1,0,0,0,0|3,0,0]=4 4905 B13R0.54 CCCCSCCOCCOC(=O)C 34a_200000230436_100009814007 [0,1,0,0,0,0|3,0,0]=4 4906 B13R0.54 CCCCSCCOCCOC(=O)C 62a_100000210211_200000083610 [0,1,0,0,0,0|3,0,0]=4 4907 B13R0.54 CCCCSCCOCCOC(=O)C 62a_200000083610_100000210210 [0,1,0,0,0,0|3,0,0]=4 4908 B13R0.54 CCCCSCCOCCOC(=O)C 7a_200000230436_100009814007 [0,1,0,0,0,0|3,0,0]=4 4909 B13R0.54 CCCCSCCOCCOC(=O)N 34a_200000230436_200011214921 [0,1,0,0,0,0|3,0,0]=4 4910 B13R0.54 CCCCSCCOCCOC(=O)N 7a_200000230436_200011214921 [0,1,0,0,0,0|3,0,0]=4 4911 B13R0.54 CCCNCCCCCCNC(=O)C 2230a_200011996284_100000210303 [0,1,0,0,0,0|2,0,0]=3 4912 B13R0.54 CCCNCCCCCCNC(=O)C 34a_200011996284_100000210303 [0,1,0,0,0,0|2,0,0]=3 4913 B13R0.54 CCCNCCOCCOCC(=O)O 269956a_100009854275_100000210207 [0,1,0,0,0,0|3,0,0]=4 4914 B13R0.54 CCCOCCCCCCCC(C)C 34a_200000210741_100000210303 [0,1,0,0,0,0|2,0,1]=4 4915 B13R0.54 CCCOCCCCCCCC(C)C 7a_200000210741_100000210303 [0,1,0,0,0,0|2,0,1]=4 4916 B13R0.54 CCCOCCCNCCCC(=O)C 34a_100011217757_100000685027 [0,1,0,0,0,0|2,0,0]=3 4917 B13R0.54 CCCOCCCNCCCC(=O)N 34a_100011217757_100102525003 [0,1,0,0,0,0|2,0,0]=3 4918 B13R0.54 CCCOCCCNCCNC(=O)C 2230a_100011217757_100000189650 [0,1,0,0,0,0|3,0,0]=4 4919 B13R0.54 CCCOCCCNCCNC(=O)N 2230a_100011217757_200000034859 [0,1,0,0,0,0|3,0,0]=4 4920 B13R0.54 CCCOCCCNCCOC(=O)C 34a_100011217757_100009814007 [0,1,0,0,0,0|3,0,0]=4 4921 B13R0.54 CCCOCCCNCCOC(=O)N 34a_100011217757_200011214921 [0,1,0,0,0,0|3,0,0]=4 4922 B13R0.54 CCCOCCNCCCCC(=O)C 34a_100161115042_100009817362 [0,1,0,0,0,0|2,0,0]=3 4923 B13R0.54 CCCOCCNCCCCC(=O)N 34a_100000696515_100011215938 [0,1,0,0,0,0|2,0,0]=3 4924 B13R0.54 CCCOCCNCCCNC(=O)C 34a_100000736810_100011215938 [0,1,0,0,0,0|3,0,0]=4 4925 B13R0.54 CCCOCCNCCCOC(=O)C 34a_100161115042_100000042594 [0,1,0,0,0,0|3,0,0]=4 4926 B13R0.54 CCCOCCNCCCSC(=O)C 2230a_100161115042_100000038929 [0,1,0,0,0,0|3,0,0]=4 4927 B13R0.54 CCCOCCNCCCSC(=O)C 34a_100161115042_100000038929 [0,1,0,0,0,0|3,0,0]=4 4928 B13R0.54 CCCOCCNCCOCC(=O)N 2230a_100161115042_100000076697 [0,1,0,0,0,0|3,0,0]=4 4929 B13R0.54 CCCOCCNCCOCC(=O)N 34a_100161115042_100000076697 [0,1,0,0,0,0|3,0,0]=4 4930 B13R0.54 CCCOCCNCCOCC(=O)O 269956a_100000700818_100011215938 [0,1,0,0,0,0|3,0,0]=4 4931 B13R0.54 CCCOCCOCCCCC(=O)C 34a_100000752267_100009817362 [0,1,0,0,0,0|2,0,0]=3 4932 B13R0.54 CCCOCCOCCCCC(=O)C 7a_100000752267_100000735457 [0,1,0,0,0,0|2,0,0]=3 4933 B13R0.54 CCCOCCOCCCCC(=O)N 34a_100012022536_100011215938 [0,1,0,0,0,0|2,0,0]=3 4934 B13R0.54 CCCOCCOCCCCC(=O)N 7a_100012022536_100011215938 [0,1,0,0,0,0|2,0,0]=3 4935 B13R0.54 CCCOCCOCCCC[N+](=O)[O-] 34a_200015379883_100011215938 [0,1,0,0,0,0|3,0,0]=4 4936 B13R0.54 CCCOCCOCCCC[N+](=O)[O-] 7a_200015379883_100011215938 [0,1,0,0,0,0|3,0,0]=4 4937 B13R0.54 CCCOCCOCCCNC(=O)C 34a_100000752032_100011215938 [0,1,0,0,0,0|3,0,0]=4 4938 B13R0.54 CCCOCCOCCCOC(=O)C 34a_100000752267_100000042594 [0,1,0,0,0,0|3,0,0]=4 4939 B13R0.54 CCCOCCOCCCOC(=O)C 7a_100000752267_100000042594 [0,1,0,0,0,0|3,0,0]=4 4940 B13R0.54 CCCOCCOCCCSC(=O)C 34a_100000752267_100000038929 [0,1,0,0,0,0|3,0,0]=4 4941 B13R0.54 CCCOCCOCCCSC(=O)C 7a_100000752267_100000038929 [0,1,0,0,0,0|3,0,0]=4 4942 B13R0.54 CCCOCCOCCNCC(=O)N 2230a_200011904461_100000747473 [0,1,0,0,0,0|3,0,0]=4 4943 B13R0.54 CCCOCCOCCNCC(=O)N 34a_200011904461_100000187820 [0,1,0,0,0,0|3,0,0]=4 4944 B13R0.54 CCCOCCOCCNCC(=O)[O-] 34a_200011904461_100020667443 [0,1,0,0,0,0|3,0,0]=4 4945 B13R0.54 CCCOCCOCCOCC(=O)N 34a_100000752267_100000076697 [0,1,0,0,0,0|3,0,0]=4 4946 B13R0.54 CCCOCCOCCOCC(=O)N 7a_100000752267_100000076697 [0,1,0,0,0,0|3,0,0]=4 4947 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100000735457_100011215938 [0,1,0,0,0,0|2,0,0]=3 4948 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100011215938_100000735457 [0,1,0,0,0,0|2,0,0]=3 4949 B13R0.54 CCCOCCSCCCOC(=O)C 62a_100000042594_100011215938 [0,1,0,0,0,0|3,0,0]=4 4950 B13R0.54 CCCOCCSCCCOC(=O)C 62a_100011215938_100000042594 [0,1,0,0,0,0|3,0,0]=4 4951 B13R0.54 CCCOCCSCCCSC(=O)C 62a_100000038929_100011215938 [0,1,0,0,0,0|3,0,0]=4 4952 B13R0.54 CCCOCCSCCCSC(=O)C 62a_100011215938_100000038929 [0,1,0,0,0,0|3,0,0]=4 4953 B13R0.54 CCCOCCSCCOCC(=O)N 62a_100000076697_100011215938 [0,1,0,0,0,0|3,0,0]=4 4954 B13R0.54 CCCOCCSCCOCC(=O)N 62a_100011215938_100000076697 [0,1,0,0,0,0|3,0,0]=4 4955 B13R0.54 CCCSCCNCCCSC(=O)C 2230a_100020603323_100000038929 [0,1,0,0,0,0|3,0,0]=4 4956 B13R0.54 CCCSCCNCCOCC(=O)N 2230a_100020603323_100000076697 [0,1,0,0,0,0|3,0,0]=4 4957 B13R0.54 CCCSCCOCCCCC(=O)C 34a_200000230433_100009817362 [0,1,0,0,0,0|2,0,0]=3 4958 B13R0.54 CCCSCCOCCCCC(=O)C 7a_200000230433_100000735457 [0,1,0,0,0,0|2,0,0]=3 4959 B13R0.54 CCCSCCOCCCOC(=O)C 34a_200000230433_100000042594 [0,1,0,0,0,0|3,0,0]=4 4960 B13R0.54 CCCSCCOCCCOC(=O)C 7a_200000230433_100000042594 [0,1,0,0,0,0|3,0,0]=4 4961 B13R0.54 CCCSCCOCCCSC(=O)C 34a_200000230433_100000038929 [0,1,0,0,0,0|3,0,0]=4 4962 B13R0.54 CCCSCCOCCCSC(=O)C 7a_200000230433_100000038929 [0,1,0,0,0,0|3,0,0]=4 4963 B13R0.54 CCCSCCOCCOCC(=O)N 34a_200000230433_100000076697 [0,1,0,0,0,0|3,0,0]=4 4964 B13R0.54 CCCSCCOCCOCC(=O)N 7a_200000230433_100000076697 [0,1,0,0,0,0|3,0,0]=4 4965 B13R0.54 CCOCCCNCCCCC(=O)C 34a_100000210961_100009817362 [0,1,0,0,0,0|2,0,0]=3 4966 B13R0.54 CCOCCCNCCCCC(=O)N 34a_100000696515_100012232248 [0,1,0,0,0,0|2,0,0]=3 4967 B13R0.54 CCOCCCNCCCNC(=O)C 34a_100000736810_100012232248 [0,1,0,0,0,0|3,0,0]=4 4968 B13R0.54 CCOCCCNCCCOC(=O)C 34a_100000210961_100000042594 [0,1,0,0,0,0|3,0,0]=4 4969 B13R0.54 CCOCCCNCCCSC(=O)C 2230a_100000210961_100000038929 [0,1,0,0,0,0|3,0,0]=4 4970 B13R0.54 CCOCCCNCCCSC(=O)C 34a_100000210961_100000038929 [0,1,0,0,0,0|3,0,0]=4 4971 B13R0.54 CCOCCCNCCOCC(=O)N 2230a_100000210961_100000076697 [0,1,0,0,0,0|3,0,0]=4 4972 B13R0.54 CCOCCCNCCOCC(=O)N 34a_100000210961_100000076697 [0,1,0,0,0,0|3,0,0]=4 4973 B13R0.54 CCOCCCNCCOCC(=O)O 269956a_100000700818_100012232248 [0,1,0,0,0,0|3,0,0]=4 4974 B13R0.54 CCOCCCOCCCCC(=O)C 34a_100000757476_100009817362 [0,1,0,0,0,0|2,0,0]=3 4975 B13R0.54 CCOCCCOCCCCC(=O)C 7a_100000757476_100000735457 [0,1,0,0,0,0|2,0,0]=3 4976 B13R0.54 CCOCCCOCCCCC(=O)N 34a_100012022536_100012232248 [0,1,0,0,0,0|2,0,0]=3 4977 B13R0.54 CCOCCCOCCCCC(=O)N 7a_100012022536_100012232248 [0,1,0,0,0,0|2,0,0]=3 4978 B13R0.54 CCOCCCOCCCC[N+](=O)[O-] 34a_200015379883_100012232248 [0,1,0,0,0,0|3,0,0]=4 4979 B13R0.54 CCOCCCOCCCC[N+](=O)[O-] 7a_200015379883_100012232248 [0,1,0,0,0,0|3,0,0]=4 4980 B13R0.54 CCOCCCOCCCNC(=O)C 34a_100000752032_100012232248 [0,1,0,0,0,0|3,0,0]=4 4981 B13R0.54 CCOCCCOCCCOC(=O)C 34a_100000757476_100000042594 [0,1,0,0,0,0|3,0,0]=4 4982 B13R0.54 CCOCCCOCCCOC(=O)C 7a_100000757476_100000042594 [0,1,0,0,0,0|3,0,0]=4 4983 B13R0.54 CCOCCCOCCCSC(=O)C 34a_100000757476_100000038929 [0,1,0,0,0,0|3,0,0]=4 4984 B13R0.54 CCOCCCOCCCSC(=O)C 7a_100000757476_100000038929 [0,1,0,0,0,0|3,0,0]=4 4985 B13R0.54 CCOCCCOCCOCC(=O)N 34a_100000757476_100000076697 [0,1,0,0,0,0|3,0,0]=4 4986 B13R0.54 CCOCCCOCCOCC(=O)N 7a_100000757476_100000076697 [0,1,0,0,0,0|3,0,0]=4 4987 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100000735457_100012232248 [0,1,0,0,0,0|2,0,0]=3 4988 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100012232248_100000735457 [0,1,0,0,0,0|2,0,0]=3 4989 B13R0.54 CCOCCCSCCCOC(=O)C 62a_100000042594_100012232248 [0,1,0,0,0,0|3,0,0]=4 4990 B13R0.54 CCOCCCSCCCOC(=O)C 62a_100012232248_100000042594 [0,1,0,0,0,0|3,0,0]=4 4991 B13R0.54 CCOCCCSCCCSC(=O)C 62a_100000038929_100012232248 [0,1,0,0,0,0|3,0,0]=4 4992 B13R0.54 CCOCCCSCCCSC(=O)C 62a_100012232248_100000038929 [0,1,0,0,0,0|3,0,0]=4 4993 B13R0.54 CCOCCCSCCOCC(=O)N 62a_100000076697_100012232248 [0,1,0,0,0,0|3,0,0]=4 4994 B13R0.54 CCOCCCSCCOCC(=O)N 62a_100012232248_100000076697 [0,1,0,0,0,0|3,0,0]=4 4995 B13R0.54 CCOCCNCCCCCC(=O)N 2230a_102516460346_100009817443 [0,1,0,0,0,0|2,0,0]=3 4996 B13R0.54 CCOCCNCCCCCC(=O)N 34a_102516460346_100009817443 [0,1,0,0,0,0|2,0,0]=3 4997 B13R0.54 CCOCCNCCCCNC(=O)C 2230a_200011368371_100011215890 [0,1,0,0,0,0|3,0,0]=4 4998 B13R0.54 CCOCCNCCCCNC(=O)C 34a_200011368371_100000210147 [0,1,0,0,0,0|3,0,0]=4 4999 B13R0.54 CCOCCNCCCCOC(=O)C 34a_102516460346_100000033659 [0,1,0,0,0,0|3,0,0]=4 5000 B13R0.54 CCOCCNCCCCSC(=O)C 2230a_102516460346_200010402107 [0,1,0,0,0,0|3,0,0]=4 5001 B13R0.54 CCOCCNCCCCSC(=O)C 34a_102516460346_200010402107 [0,1,0,0,0,0|3,0,0]=4 5002 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000123541_100000210147 [0,1,0,0,0,0|2,0,0]=3 5003 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000210136_100009817443 [0,1,0,0,0,0|2,0,0]=3 5004 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000123541_100011215890 [0,1,0,0,0,0|2,0,0]=3 5005 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000210136_100009817443 [0,1,0,0,0,0|2,0,0]=3 5006 B13R0.54 CCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215890 [0,1,0,0,0,0|2,0,0]=3 5007 B13R0.54 CCOCCOCCCCOC(=O)C 34a_100000073216_100000210147 [0,1,0,0,0,0|3,0,0]=4 5008 B13R0.54 CCOCCOCCCCOC(=O)C 34a_100000210136_100000033659 [0,1,0,0,0,0|3,0,0]=4 5009 B13R0.54 CCOCCOCCCCOC(=O)C 7a_100000073216_100011215890 [0,1,0,0,0,0|3,0,0]=4 5010 B13R0.54 CCOCCOCCCCOC(=O)C 7a_100000210136_100000033659 [0,1,0,0,0,0|3,0,0]=4 5011 B13R0.54 CCOCCOCCCCSC(=O)C 34a_100000210136_200010402107 [0,1,0,0,0,0|3,0,0]=4 5012 B13R0.54 CCOCCOCCCCSC(=O)C 7a_100000210136_200010402107 [0,1,0,0,0,0|3,0,0]=4 5013 B13R0.54 CCOCCOCCNCCC(=O)N 2230a_100102712874_100000744528 [0,1,0,0,0,0|3,0,0]=4 5014 B13R0.54 CCOCCOCCNCCC(=O)N 34a_100102712874_100000731001 [0,1,0,0,0,0|3,0,0]=4 5015 B13R0.54 CCOCCOCCOCCC(=O)C 34a_100000759926_100011211534 [0,1,0,0,0,0|3,0,0]=4 5016 B13R0.54 CCOCCOCCOCCC(=O)C 7a_100000210240_100000053229 [0,1,0,0,0,0|3,0,0]=4 5017 B13R0.54 CCOCCOCCOCCC(=O)C 7a_100000759926_100011211534 [0,1,0,0,0,0|3,0,0]=4 5018 B13R0.54 CCOCCOCCOCCC(=O)N 34a_100000210240_100000731001 [0,1,0,0,0,0|3,0,0]=4 5019 B13R0.54 CCOCCOCCOCCC(=O)N 34a_100000757172_100011211534 [0,1,0,0,0,0|3,0,0]=4 5020 B13R0.54 CCOCCOCCOCCC(=O)N 7a_100000210240_100000744528 [0,1,0,0,0,0|3,0,0]=4 5021 B13R0.54 CCOCCOCCOCCC(=O)N 7a_100000757172_100011211534 [0,1,0,0,0,0|3,0,0]=4 5022 B13R0.54 CCOCCOCCSCCC(=O)C 62a_100000053229_100011211534 [0,1,0,0,0,0|3,0,0]=4 5023 B13R0.54 CCOCCOCCSCCC(=O)C 62a_100011211534_100000053229 [0,1,0,0,0,0|3,0,0]=4 5024 B13R0.54 CCOCCOCCSCCC(=O)N 62a_100000744528_100011211534 [0,1,0,0,0,0|3,0,0]=4 5025 B13R0.54 CCOCCOCCSCCC(=O)N 62a_100011211534_100000744528 [0,1,0,0,0,0|3,0,0]=4 5026 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100000210147_100009817443 [0,1,0,0,0,0|2,0,0]=3 5027 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100009817443_100011215890 [0,1,0,0,0,0|2,0,0]=3 5028 B13R0.54 CCOCCSCCCCOC(=O)C 62a_100000033659_100011215890 [0,1,0,0,0,0|3,0,0]=4 5029 B13R0.54 CCOCCSCCCCOC(=O)C 62a_100000210147_100000033659 [0,1,0,0,0,0|3,0,0]=4 5030 B13R0.54 CCOCCSCCCCSC(=O)C 62a_100000210147_200010402107 [0,1,0,0,0,0|3,0,0]=4 5031 B13R0.54 CCOCCSCCCCSC(=O)C 62a_200010402107_100011215890 [0,1,0,0,0,0|3,0,0]=4 5032 B13R0.54 CCOCSCCCCCOC(=O)C 62a_100000033007_100000739092 [0,1,0,0,0,0|3,0,0]=4 5033 B13R0.54 CCOCSCCCCCOC(=O)C 62a_100000739092_100000033007 [0,1,0,0,0,0|3,0,0]=4 5034 B13R0.54 CCSCCCOCCCCC(=O)C 34a_100011216438_100009817362 [0,1,0,0,0,0|2,0,0]=3 5035 B13R0.54 CCSCCCOCCCCC(=O)C 7a_100011216438_100000735457 [0,1,0,0,0,0|2,0,0]=3 5036 B13R0.54 CCSCCCOCCCOC(=O)C 34a_100011216438_100000042594 [0,1,0,0,0,0|3,0,0]=4 5037 B13R0.54 CCSCCCOCCCOC(=O)C 7a_100011216438_100000042594 [0,1,0,0,0,0|3,0,0]=4 5038 B13R0.54 CCSCCCOCCCSC(=O)C 34a_100011216438_100000038929 [0,1,0,0,0,0|3,0,0]=4 5039 B13R0.54 CCSCCCOCCCSC(=O)C 7a_100011216438_100000038929 [0,1,0,0,0,0|3,0,0]=4 5040 B13R0.54 CCSCCCOCCOCC(=O)N 34a_100011216438_100000076697 [0,1,0,0,0,0|3,0,0]=4 5041 B13R0.54 CCSCCCOCCOCC(=O)N 7a_100011216438_100000076697 [0,1,0,0,0,0|3,0,0]=4 5042 B13R0.54 CCSCCNCCCCCC(=O)N 2230a_100000106463_100009817443 [0,1,0,0,0,0|2,0,0]=3 5043 B13R0.54 CCSCCNCCCCNC(=O)C 2230a_200011368371_100000757381 [0,1,0,0,0,0|3,0,0]=4 5044 B13R0.54 CCSCCNCCCCNC(=O)C 34a_200011368371_100000757381 [0,1,0,0,0,0|3,0,0]=4 5045 B13R0.54 CCSCCNCCCCSC(=O)C 2230a_100000106463_200010402107 [0,1,0,0,0,0|3,0,0]=4 5046 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000123541_100000757381 [0,1,0,0,0,0|2,0,0]=3 5047 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000212035_100009817443 [0,1,0,0,0,0|2,0,0]=3 5048 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000123541_100000757381 [0,1,0,0,0,0|2,0,0]=3 5049 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000212035_100009817443 [0,1,0,0,0,0|2,0,0]=3 5050 B13R0.54 CCSCCOCCCCCC(=O)[O-] 7a_100102619762_100000757381 [0,1,0,0,0,0|2,0,0]=3 5051 B13R0.54 CCSCCOCCCCOC(=O)C 34a_100000073216_100000757381 [0,1,0,0,0,0|3,0,0]=4 5052 B13R0.54 CCSCCOCCCCOC(=O)C 34a_100000212035_100000033659 [0,1,0,0,0,0|3,0,0]=4 5053 B13R0.54 CCSCCOCCCCOC(=O)C 7a_100000073216_100000757381 [0,1,0,0,0,0|3,0,0]=4 5054 B13R0.54 CCSCCOCCCCOC(=O)C 7a_100000212035_100000033659 [0,1,0,0,0,0|3,0,0]=4 5055 B13R0.54 CCSCCOCCCCSC(=O)C 34a_100000212035_200010402107 [0,1,0,0,0,0|3,0,0]=4 5056 B13R0.54 CCSCCOCCCCSC(=O)C 7a_100000212035_200010402107 [0,1,0,0,0,0|3,0,0]=4 5057 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100000757381_100009817443 [0,1,0,0,0,0|2,0,0]=3 5058 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100009817443_100000757381 [0,1,0,0,0,0|2,0,0]=3 5059 B13R0.54 CCSCCSCCCCOC(=O)C 62a_100000033659_100000757381 [0,1,0,0,0,0|3,0,0]=4 5060 B13R0.54 CCSCCSCCCCOC(=O)C 62a_100000757381_100000033659 [0,1,0,0,0,0|3,0,0]=4 5061 B13R0.54 CCSCCSCCCCSC(=O)C 62a_100000757381_200010402107 [0,1,0,0,0,0|3,0,0]=4 5062 B13R0.54 CCSCCSCCCCSC(=O)C 62a_200010402107_100000757381 [0,1,0,0,0,0|3,0,0]=4 5063 B13R0.54 CN(C)CCCCCCCCCCO 2230a_100102631434_100009813290 [0,1,0,0,0,0|1,0,2]=4 5064 B13R0.54 CN(C)CCCCCCCCCCO 269982a_100102631434_100009813290 [0,1,0,0,0,0|1,0,2]=4 5065 B13R0.54 CN(C)CCCCSCCCCC=O 62a_100000139335_100000690147 [0,1,0,0,0,0|2,0,0]=3 5066 B13R0.54 CN(C)CCCSCCCCCC=O 62a_100000139337_100000757444 [0,1,0,0,0,0|2,0,0]=3 5067 B13R0.54 CNCCCCCOCCCC(=O)C 34a_100000722520_100000685027 [0,1,0,0,0,0|2,0,0]=3 5068 B13R0.54 CNCCCCCOCCCC(=O)N 34a_100000722520_100102525003 [0,1,0,0,0,0|2,0,0]=3 5069 B13R0.54 CNCCCCCOCCCC(C)C 34a_100000722520_100011214892 [0,1,0,0,0,0|3,0,0]=4 5070 B13R0.54 CNCCCCCOCCCC(C)O 34a_100000722520_200000718107 [0,1,0,0,0,0|3,0,0]=4 5071 B13R0.54 CNCCCCCOCCOC(=O)C 34a_100000722520_100009814007 [0,1,0,0,0,0|3,0,0]=4 5072 B13R0.54 CNCCCCCOCCOC(=O)N 34a_100000722520_200011214921 [0,1,0,0,0,0|3,0,0]=4 5073 B13R0.54 CNCCCOCCCCCC(=O)N 34a_100000213112_100009817443 [0,1,0,0,0,0|2,0,0]=3 5074 B13R0.54 CNCCCOCCCCCC(C)C 34a_100000213112_100000210682 [0,1,0,0,0,0|3,0,0]=4 5075 B13R0.54 CNCCCOCCCCOC(=O)C 34a_100000213112_100000033659 [0,1,0,0,0,0|3,0,0]=4 5076 B13R0.54 CNCCCOCCCCSC(=O)C 34a_100000213112_200010402107 [0,1,0,0,0,0|3,0,0]=4 5077 B13R0.54 CNCCOCCOCCCC(=O)C 34a_100000228057_100000685027 [0,1,0,0,0,0|3,0,0]=4 5078 B13R0.54 CNCCOCCOCCCC(=O)N 34a_100000228057_100102525003 [0,1,0,0,0,0|3,0,0]=4 5079 B13R0.54 COCCCCCCNCCC(C)O 2230a_200000755665_100011998445 [0,1,0,0,0,0|3,0,0]=4 5080 B13R0.54 COCCCCCCNOCC(=O)O 269956a_100000106656_100011998445 [0,1,0,0,0,0|3,0,0]=4 5081 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [0,1,0,0,0,0|2,0,0]=3 5082 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [0,1,0,0,0,0|2,0,0]=3 5083 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [0,1,0,0,0,0|2,0,0]=3 5084 B13R0.54 COCCCCCCOCCC(=O)N 34a_100000757172_100011998445 [0,1,0,0,0,0|2,0,0]=3 5085 B13R0.54 COCCCCCCOCCC(=O)N 34a_200012092642_100000731001 [0,1,0,0,0,0|2,0,0]=3 5086 B13R0.54 COCCCCCCOCCC(=O)N 7a_100000757172_100011998445 [0,1,0,0,0,0|2,0,0]=3 5087 B13R0.54 COCCCCCCOCCC(=O)N 7a_200012092642_100000744528 [0,1,0,0,0,0|2,0,0]=3 5088 B13R0.54 COCCCCCCOCCC(C)Br 34a_100009893172_100011998445 [0,1,0,0,0,0|3,0,0]=4 5089 B13R0.54 COCCCCCCOCCC(C)C 34a_100000210254_100011998445 [0,1,0,0,0,0|3,0,0]=4 5090 B13R0.54 COCCCCCCOCCC(C)C 34a_200012092642_100000210312 [0,1,0,0,0,0|3,0,0]=4 5091 B13R0.54 COCCCCCCOCCC(C)C 7a_100000210254_100011998445 [0,1,0,0,0,0|3,0,0]=4 5092 B13R0.54 COCCCCCCOCCC(C)C 7a_200012092642_100000210626 [0,1,0,0,0,0|3,0,0]=4 5093 B13R0.54 COCCCCCCOCCC(C)O 34a_200012092642_100012276601 [0,1,0,0,0,0|3,0,0]=4 5094 B13R0.54 COCCCCCCOCCC(C)O 7a_200012092642_100012276601 [0,1,0,0,0,0|3,0,0]=4 5095 B13R0.54 COCCCCCCOCC[C@@H](C)N 34a_100000706166_100011998445 [0,1,0,0,0,0|3,0,0]=4 5096 B13R0.54 COCCCCCCOCOC(=O)C 34a_200012092642_100009813279 [0,1,0,0,0,0|3,0,0]=4 5097 B13R0.54 COCCCCCCSCCC(=O)C 62a_100000053229_100011998445 [0,1,0,0,0,0|2,0,0]=3 5098 B13R0.54 COCCCCCCSCCC(=O)C 62a_100011998445_100000053229 [0,1,0,0,0,0|2,0,0]=3 5099 B13R0.54 COCCCCCCSCCC(=O)N 62a_100000744528_100011998445 [0,1,0,0,0,0|2,0,0]=3 5100 B13R0.54 COCCCCCCSCCC(=O)N 62a_100011998445_100000744528 [0,1,0,0,0,0|2,0,0]=3 5101 B13R0.54 COCCCCCCSCCC(C)C 62a_100000210312_100011998445 [0,1,0,0,0,0|3,0,0]=4 5102 B13R0.54 COCCCCCCSCCC(C)C 62a_100011998445_100000210312 [0,1,0,0,0,0|3,0,0]=4 5103 B13R0.54 COCCCCCCSCCC(C)O 62a_100011998445_100012276601 [0,1,0,0,0,0|3,0,0]=4 5104 B13R0.54 COCCCCCCSCCC(C)O 62a_100012276601_100011998445 [0,1,0,0,0,0|3,0,0]=4 5105 B13R0.54 COCCCCCCSCOC(=O)C 62a_100000076356_100011998445 [0,1,0,0,0,0|3,0,0]=4 5106 B13R0.54 COCCCCCCSCOC(=O)C 62a_100011998445_100000076356 [0,1,0,0,0,0|3,0,0]=4 5107 B13R0.54 COCCCCCNCCCC(=O)C 34a_100000747528_100000685027 [0,1,0,0,0,0|2,0,0]=3 5108 B13R0.54 COCCCCCNCCCC(=O)N 34a_100000747528_100102525003 [0,1,0,0,0,0|2,0,0]=3 5109 B13R0.54 COCCCCCNCCCC(C)C 2230a_100000747528_100011214892 [0,1,0,0,0,0|3,0,0]=4 5110 B13R0.54 COCCCCCNCCCC(C)C 34a_100000747528_100011214892 [0,1,0,0,0,0|3,0,0]=4 5111 B13R0.54 COCCCCCNCCCC(C)O 2230a_100000747528_200000718107 [0,1,0,0,0,0|3,0,0]=4 5112 B13R0.54 COCCCCCNCCCC(C)O 34a_100000747528_200000718107 [0,1,0,0,0,0|3,0,0]=4 5113 B13R0.54 COCCCCCNCCNC(=O)C 2230a_100000747528_100000189650 [0,1,0,0,0,0|3,0,0]=4 5114 B13R0.54 COCCCCCNCCNC(=O)N 2230a_100000747528_200000034859 [0,1,0,0,0,0|3,0,0]=4 5115 B13R0.54 COCCCCCNCCOC(=O)C 34a_100000747528_100009814007 [0,1,0,0,0,0|3,0,0]=4 5116 B13R0.54 COCCCCCNCCOC(=O)N 34a_100000747528_200011214921 [0,1,0,0,0,0|3,0,0]=4 5117 B13R0.54 COCCCCNCCCCC(=O)N 34a_100000696515_100000755781 [0,1,0,0,0,0|2,0,0]=3 5118 B13R0.54 COCCCCNCCCNC(=O)C 34a_100000736810_100000755781 [0,1,0,0,0,0|3,0,0]=4 5119 B13R0.54 COCCCCNCCOCC(=O)O 269956a_100000700818_100000730899 [0,1,0,0,0,0|3,0,0]=4 5120 B13R0.54 COCCCCOCCCCC(=O)C 34a_100000740925_100009817362 [0,1,0,0,0,0|2,0,0]=3 5121 B13R0.54 COCCCCOCCCCC(=O)N 34a_100012022536_100000755781 [0,1,0,0,0,0|2,0,0]=3 5122 B13R0.54 COCCCCOCCCCC(=O)N 7a_100012022536_100000730899 [0,1,0,0,0,0|2,0,0]=3 5123 B13R0.54 COCCCCOCCCCC(C)C 34a_100000740925_100011216152 [0,1,0,0,0,0|3,0,0]=4 5124 B13R0.54 COCCCCOCCCCC(C)C 34a_100011214890_100000755781 [0,1,0,0,0,0|3,0,0]=4 5125 B13R0.54 COCCCCOCCCCC(C)C 7a_100011214890_100000730899 [0,1,0,0,0,0|3,0,0]=4 5126 B13R0.54 COCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000755781 [0,1,0,0,0,0|3,0,0]=4 5127 B13R0.54 COCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000730899 [0,1,0,0,0,0|3,0,0]=4 5128 B13R0.54 COCCCCOCCCNC(=O)C 34a_100000752032_100000755781 [0,1,0,0,0,0|3,0,0]=4 5129 B13R0.54 COCCCCOCCCOC(=O)C 34a_100000740925_100000042594 [0,1,0,0,0,0|3,0,0]=4 5130 B13R0.54 COCCCCOCCCSC(=O)C 34a_100000740925_100000038929 [0,1,0,0,0,0|3,0,0]=4 5131 B13R0.54 COCCCCOCCOCC(=O)N 34a_100000740925_100000076697 [0,1,0,0,0,0|3,0,0]=4 5132 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000730899_100000735457 [0,1,0,0,0,0|2,0,0]=3 5133 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000735457_100000730899 [0,1,0,0,0,0|2,0,0]=3 5134 B13R0.54 COCCCCSCCCCC(C)C 62a_100000730899_100011216152 [0,1,0,0,0,0|3,0,0]=4 5135 B13R0.54 COCCCCSCCCCC(C)C 62a_100011216152_100000730899 [0,1,0,0,0,0|3,0,0]=4 5136 B13R0.54 COCCCCSCCCOC(=O)C 62a_100000042594_100000730899 [0,1,0,0,0,0|3,0,0]=4 5137 B13R0.54 COCCCCSCCCOC(=O)C 62a_100000730899_100000042594 [0,1,0,0,0,0|3,0,0]=4 5138 B13R0.54 COCCCCSCCCSC(=O)C 62a_100000038929_100000730899 [0,1,0,0,0,0|3,0,0]=4 5139 B13R0.54 COCCCCSCCCSC(=O)C 62a_100000730899_100000038929 [0,1,0,0,0,0|3,0,0]=4 5140 B13R0.54 COCCCCSCCOCC(=O)N 62a_100000076697_100000730899 [0,1,0,0,0,0|3,0,0]=4 5141 B13R0.54 COCCCCSCCOCC(=O)N 62a_100000730899_100000076697 [0,1,0,0,0,0|3,0,0]=4 5142 B13R0.54 COCCCNCCCCCC(=O)N 34a_100150723488_100009817443 [0,1,0,0,0,0|2,0,0]=3 5143 B13R0.54 COCCCNCCCCCC(C)C 2230a_100011290863_100000740836 [0,1,0,0,0,0|3,0,0]=4 5144 B13R0.54 COCCCNCCCCCC(C)C 34a_100011290863_100000740836 [0,1,0,0,0,0|3,0,0]=4 5145 B13R0.54 COCCCNCCCCCC(C)C 34a_100150723488_100000210682 [0,1,0,0,0,0|3,0,0]=4 5146 B13R0.54 COCCCNCCCCNC(=O)C 2230a_200011368371_100000740836 [0,1,0,0,0,0|3,0,0]=4 5147 B13R0.54 COCCCNCCCCNC(=O)C 34a_200011368371_100000740836 [0,1,0,0,0,0|3,0,0]=4 5148 B13R0.54 COCCCNCCCCOC(=O)C 34a_100150723488_100000033659 [0,1,0,0,0,0|3,0,0]=4 5149 B13R0.54 COCCCNCCCCSC(=O)C 34a_100150723488_200010402107 [0,1,0,0,0,0|3,0,0]=4 5150 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000123541_100000740836 [0,1,0,0,0,0|2,0,0]=3 5151 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000740835_100009817443 [0,1,0,0,0,0|2,0,0]=3 5152 B13R0.54 COCCCOCCCCCC(=O)N 7a_100000123541_100000740836 [0,1,0,0,0,0|2,0,0]=3 5153 B13R0.54 COCCCOCCCCCC(=O)[O-] 7a_100102619762_100000740836 [0,1,0,0,0,0|2,0,0]=3 5154 B13R0.54 COCCCOCCCCCC(C)C 34a_100000740835_100000210682 [0,1,0,0,0,0|3,0,0]=4 5155 B13R0.54 COCCCOCCCCCC(C)C 34a_100011995859_100000740836 [0,1,0,0,0,0|3,0,0]=4 5156 B13R0.54 COCCCOCCCCCC(C)C 7a_100011995859_100000740836 [0,1,0,0,0,0|3,0,0]=4 5157 B13R0.54 COCCCOCCCCOC(=O)C 34a_100000073216_100000740836 [0,1,0,0,0,0|3,0,0]=4 5158 B13R0.54 COCCCOCCCCOC(=O)C 34a_100000740835_100000033659 [0,1,0,0,0,0|3,0,0]=4 5159 B13R0.54 COCCCOCCCCOC(=O)C 7a_100000073216_100000740836 [0,1,0,0,0,0|3,0,0]=4 5160 B13R0.54 COCCCOCCCCSC(=O)C 34a_100000740835_200010402107 [0,1,0,0,0,0|3,0,0]=4 5161 B13R0.54 COCCCOCCCOCC(=O)N 34a_200011215475_100000187820 [0,1,0,0,0,0|3,0,0]=4 5162 B13R0.54 COCCCOCCCOCC(=O)N 7a_200011215475_100000187820 [0,1,0,0,0,0|3,0,0]=4 5163 B13R0.54 COCCCOCCCOCC(=O)[O-] 34a_200011215475_100020667443 [0,1,0,0,0,0|3,0,0]=4 5164 B13R0.54 COCCCSCCCCCC(=O)N 62a_100000709357_100009817443 [0,1,0,0,0,0|2,0,0]=3 5165 B13R0.54 COCCCSCCCCCC(=O)N 62a_100009817443_100000709357 [0,1,0,0,0,0|2,0,0]=3 5166 B13R0.54 COCCCSCCCCCC(C)C 62a_100000210682_100000709357 [0,1,0,0,0,0|3,0,0]=4 5167 B13R0.54 COCCCSCCCCCC(C)C 62a_100000709357_100000210682 [0,1,0,0,0,0|3,0,0]=4 5168 B13R0.54 COCCCSCCCCOC(=O)C 62a_100000033659_100000709357 [0,1,0,0,0,0|3,0,0]=4 5169 B13R0.54 COCCCSCCCCOC(=O)C 62a_100000709357_100000033659 [0,1,0,0,0,0|3,0,0]=4 5170 B13R0.54 COCCCSCCCCSC(=O)C 62a_100000709357_200010402107 [0,1,0,0,0,0|3,0,0]=4 5171 B13R0.54 COCCCSCCCCSC(=O)C 62a_200010402107_100000709357 [0,1,0,0,0,0|3,0,0]=4 5172 B13R0.54 COCCNCCCCCCC(C)C 2230a_100000211014_100011201679 [0,1,0,0,0,0|3,0,0]=4 5173 B13R0.54 COCCNCCCCCCC(C)C 34a_100000211014_100011201679 [0,1,0,0,0,0|3,0,0]=4 5174 B13R0.54 COCCNCCCCCNC(=O)C 2230a_200012022750_100011201679 [0,1,0,0,0,0|3,0,0]=4 5175 B13R0.54 COCCNCCCCCNC(=O)C 34a_200012022750_100011201679 [0,1,0,0,0,0|3,0,0]=4 5176 B13R0.54 COCCNCCCCCOC(=O)C 2230a_100000209980_100009813381 [0,1,0,0,0,0|3,0,0]=4 5177 B13R0.54 COCCOCCCCCOC(=O)C 34a_100000210237_100000033007 [0,1,0,0,0,0|3,0,0]=4 5178 B13R0.54 COCCOCCCNCCC(=O)N 2230a_100000206027_100000744528 [0,1,0,0,0,0|3,0,0]=4 5179 B13R0.54 COCCOCCCNCCC(=O)N 34a_100000206027_100000731001 [0,1,0,0,0,0|3,0,0]=4 5180 B13R0.54 COCCOCCCOCCC(=O)C 34a_100000759926_100011216529 [0,1,0,0,0,0|3,0,0]=4 5181 B13R0.54 COCCOCCCOCCC(=O)C 7a_100000759926_100011216529 [0,1,0,0,0,0|3,0,0]=4 5182 B13R0.54 COCCOCCCOCCC(=O)N 34a_100000757172_100011216529 [0,1,0,0,0,0|3,0,0]=4 5183 B13R0.54 COCCOCCCOCCC(=O)N 7a_100000757172_100011216529 [0,1,0,0,0,0|3,0,0]=4 5184 B13R0.54 COCCOCCCSCCC(=O)C 62a_100000053229_100011216529 [0,1,0,0,0,0|3,0,0]=4 5185 B13R0.54 COCCOCCCSCCC(=O)C 62a_100011216529_100000053229 [0,1,0,0,0,0|3,0,0]=4 5186 B13R0.54 COCCOCCCSCCC(=O)N 62a_100000744528_100011216529 [0,1,0,0,0,0|3,0,0]=4 5187 B13R0.54 COCCOCCCSCCC(=O)N 62a_100011216529_100000744528 [0,1,0,0,0,0|3,0,0]=4 5188 B13R0.54 COCCOCCNCCCC(=O)C 34a_100000745349_100000685027 [0,1,0,0,0,0|3,0,0]=4 5189 B13R0.54 COCCOCCNCCCC(=O)N 34a_100000739312_100000695917 [0,1,0,0,0,0|3,0,0]=4 5190 B13R0.54 COCCOCCNCCCC(=O)N 34a_100000745349_100102525003 [0,1,0,0,0,0|3,0,0]=4 5191 B13R0.54 COCCOCCOCCCC(=O)C 34a_100000759063_100000695917 [0,1,0,0,0,0|3,0,0]=4 5192 B13R0.54 COCCOCCOCCCC(=O)C 34a_100011215163_100000685027 [0,1,0,0,0,0|3,0,0]=4 5193 B13R0.54 COCCOCCOCCCC(=O)C 7a_100000759063_100000695917 [0,1,0,0,0,0|3,0,0]=4 5194 B13R0.54 COCCOCCOCCCC(=O)C 7a_100011215163_100011215641 [0,1,0,0,0,0|3,0,0]=4 5195 B13R0.54 COCCOCCOCCCC(=O)N 34a_100011215163_100102525003 [0,1,0,0,0,0|3,0,0]=4 5196 B13R0.54 COCCOCCOCCCC(=O)N 7a_100011215163_100102525003 [0,1,0,0,0,0|3,0,0]=4 5197 B13R0.54 COCCOCCSCCCC(=O)C 62a_100000695917_100011215641 [0,1,0,0,0,0|3,0,0]=4 5198 B13R0.54 COCCOCCSCCCC(=O)C 62a_100011215641_100000695917 [0,1,0,0,0,0|3,0,0]=4 5199 B13R0.54 COCCOCCSCCCC(=O)N 62a_100000695917_100102525003 [0,1,0,0,0,0|3,0,0]=4 5200 B13R0.54 COCCOCCSCCCC(=O)N 62a_100102525003_100000695917 [0,1,0,0,0,0|3,0,0]=4 5201 B13R0.54 COCCOCSCCCCC(=O)C 62a_100000231047_100000735457 [0,1,0,0,0,0|3,0,0]=4 5202 B13R0.54 COCCOCSCCCCC(=O)C 62a_100000735457_100000231047 [0,1,0,0,0,0|3,0,0]=4 5203 B13R0.54 COCCSCCCCCOC(=O)C 62a_100000033007_100000233755 [0,1,0,0,0,0|3,0,0]=4 5204 B13R0.54 COCCSCCCCCOC(=O)C 62a_100000233755_100000033007 [0,1,0,0,0,0|3,0,0]=4 5205 B13R0.54 COCNCCCCCCNC(=O)C 2230a_200011996284_100000766300 [0,1,0,0,0,0|3,0,0]=4 5206 B13R0.54 CS(=O)CCCNCCCCCC=O 2230a_200000753449_100000139337 [0,1,0,0,0,0|2,0,0]=3 5207 B13R0.54 CS(=O)CCCNCCCCCCF 2230a_200000753449_100015922095 [0,1,0,0,0,0|3,0,0]=4 5208 B13R0.54 CS(=O)CCCNCCCCCCO 2230a_200000753449_100000766143 [0,1,0,0,0,0|3,0,0]=4 5209 B13R0.54 CSCCCCOCCCCC(=O)C 34a_100011217163_100009817362 [0,1,0,0,0,0|2,0,0]=3 5210 B13R0.54 CSCCCCOCCCCC(=O)C 7a_100011217163_100000735457 [0,1,0,0,0,0|2,0,0]=3 5211 B13R0.54 CSCCCCOCCCCC(C)C 34a_100011217163_100011216152 [0,1,0,0,0,0|3,0,0]=4 5212 B13R0.54 CSCCCCOCCCCC(C)C 7a_100011217163_100011216152 [0,1,0,0,0,0|3,0,0]=4 5213 B13R0.54 CSCCCCOCCCOC(=O)C 34a_100011217163_100000042594 [0,1,0,0,0,0|3,0,0]=4 5214 B13R0.54 CSCCCCOCCCOC(=O)C 7a_100011217163_100000042594 [0,1,0,0,0,0|3,0,0]=4 5215 B13R0.54 CSCCCCOCCCSC(=O)C 34a_100011217163_100000038929 [0,1,0,0,0,0|3,0,0]=4 5216 B13R0.54 CSCCCCOCCCSC(=O)C 7a_100011217163_100000038929 [0,1,0,0,0,0|3,0,0]=4 5217 B13R0.54 CSCCCCOCCOCC(=O)N 34a_100011217163_100000076697 [0,1,0,0,0,0|3,0,0]=4 5218 B13R0.54 CSCCCCOCCOCC(=O)N 7a_100011217163_100000076697 [0,1,0,0,0,0|3,0,0]=4 5219 B13R0.54 CSCCCNCCCCCC(=O)N 2230a_100000749238_100009817443 [0,1,0,0,0,0|2,0,0]=3 5220 B13R0.54 CSCCCNCCCCCC(C)C 2230a_100000749238_100000210682 [0,1,0,0,0,0|3,0,0]=4 5221 B13R0.54 CSCCCNCCCCSC(=O)C 2230a_100000749238_200010402107 [0,1,0,0,0,0|3,0,0]=4 5222 B13R0.54 CSCCCOCCCCCC(=O)N 34a_100000690336_100009817443 [0,1,0,0,0,0|2,0,0]=3 5223 B13R0.54 CSCCCOCCCCCC(=O)N 7a_100000690336_100009817443 [0,1,0,0,0,0|2,0,0]=3 5224 B13R0.54 CSCCCOCCCCCC(C)C 34a_100000690336_100000210682 [0,1,0,0,0,0|3,0,0]=4 5225 B13R0.54 CSCCCOCCCCCC(C)C 7a_100000690336_100000210682 [0,1,0,0,0,0|3,0,0]=4 5226 B13R0.54 CSCCCOCCCCOC(=O)C 34a_100000690336_100000033659 [0,1,0,0,0,0|3,0,0]=4 5227 B13R0.54 CSCCCOCCCCOC(=O)C 7a_100000690336_100000033659 [0,1,0,0,0,0|3,0,0]=4 5228 B13R0.54 CSCCCOCCCCSC(=O)C 34a_100000690336_200010402107 [0,1,0,0,0,0|3,0,0]=4 5229 B13R0.54 CSCCCOCCCCSC(=O)C 7a_100000690336_200010402107 [0,1,0,0,0,0|3,0,0]=4 5230 B13R0.54 CSCCNCCCCCCC(C)C 2230a_100000211014_100000751147 [0,1,0,0,0,0|3,0,0]=4 5231 B13R0.54 CSCCNCCCCCCC(C)C 34a_100000211014_100000212216 [0,1,0,0,0,0|3,0,0]=4 5232 B13R0.54 CSCCNCCCCCNC(=O)C 2230a_200012022750_100000751147 [0,1,0,0,0,0|3,0,0]=4 5233 B13R0.54 CSCCNCCCCCNC(=O)C 34a_200012022750_100000212216 [0,1,0,0,0,0|3,0,0]=4 5234 B13R0.54 CSCCNCCCCCOC(=O)C 2230a_100020590264_100009813381 [0,1,0,0,0,0|3,0,0]=4 5235 B13R0.54 CSCCOCCCCCOC(=O)C 34a_100000230434_100000033007 [0,1,0,0,0,0|3,0,0]=4 5236 B13R0.54 CSCCOCCCCCOC(=O)C 7a_100000230434_100000033007 [0,1,0,0,0,0|3,0,0]=4 5237 B13R0.54 CSCCSCCCCCOC(=O)C 62a_100000033007_100000751147 [0,1,0,0,0,0|3,0,0]=4 5238 B13R0.54 CSCCSCCCCCOC(=O)C 62a_100000212216_100000033007 [0,1,0,0,0,0|3,0,0]=4 5239 B13R0.54 CSCNCCCCCCNC(=O)C 2230a_200011996284_100011218213 [0,1,0,0,0,0|3,0,0]=4 5240 B13R0.54 CSCNCCCCCCNC(=O)C 34a_200011996284_100011218213 [0,1,0,0,0,0|3,0,0]=4 5241 B13R0.54 CSCOCCCCCCCC(C)C 34a_200000210741_100011218213 [0,1,0,0,0,0|3,0,0]=4 5242 B13R0.54 C[C@@H](Cl)COCCCCCCCCO 34a_100016084084_100000033203 [0,1,0,0,0,0|1,0,2]=4 5243 B13R0.54 C[C@@H](N)CCOCCCCCCCO 34a_100000706166_100000760002 [0,1,0,0,0,0|1,0,2]=4 5244 B13R0.54 C[C@@H](N)COCCCCCCCCO 34a_100000737577_100000033203 [0,1,0,0,0,0|1,0,2]=4 5245 B13R0.54 C[C@@H](O)CNCCCCCCCCO 2230a_102515433106_100009817552 [0,1,0,0,0,0|1,0,2]=4 5246 B13R0.54 C[C@@H](O)CNCCCCCCCCO 34a_102515433106_100009817552 [0,1,0,0,0,0|1,0,2]=4 5247 B13R0.54 C[C@@H](O)COCCCCCCCCBr 34a_100009813846_100009817552 [0,1,0,0,0,0|2,0,1]=4 5248 B13R0.54 C[C@@H](O)COCCCCCCCCBr 7a_100009813846_100009817552 [0,1,0,0,0,0|2,0,1]=4 5249 B13R0.54 C[C@@H](O)COCCCCCCCCCl 34a_100000033203_100009817552 [0,1,0,0,0,0|2,0,1]=4 5250 B13R0.54 C[C@@H](O)COCCCCCCCCCl 7a_100000033203_100009817552 [0,1,0,0,0,0|2,0,1]=4 5251 B13R0.54 C[C@@H](O)COCCCCCCCCN 34a_102515433106_100009817552 [0,1,0,0,0,0|2,0,1]=4 5252 B13R0.54 C[C@@H](O)CSCCCCCCCCO 62a_100000033203_100009817552 [0,1,0,0,0,0|1,0,2]=4 5253 B13R0.54 C[C@@H](O)CSCCCCCCCCO 62a_100009817552_100000033203 [0,1,0,0,0,0|1,0,2]=4 5254 B13R0.54 N#CCCCCCCOCCC(=O)N 7a_100000757172_100009813337 [0,1,0,0,0,0|2,0,1]=4 5255 B13R0.54 N#CCCCCCCSCCC(=O)N 62a_100000744528_100009813337 [0,1,0,0,0,0|2,0,1]=4 5256 B13R0.54 N#CCCCCCCSCCC(=O)N 62a_100009813337_100000744528 [0,1,0,0,0,0|2,0,1]=4 5257 B13R0.54 N#CCCCCCSCCCC(=O)N 62a_100009813376_100102525003 [0,1,0,0,0,0|2,0,1]=4 5258 B13R0.54 N#CCCCCCSCCCC(=O)N 62a_100102525003_100009813376 [0,1,0,0,0,0|2,0,1]=4 5259 B13R0.54 N#CCCCCOCCCCC(=O)N 7a_100012022536_100000211819 [0,1,0,0,0,0|2,0,1]=4 5260 B13R0.54 N#CCCCOCCCCCC(=O)N 7a_100000123541_100000687738 [0,1,0,0,0,0|2,0,1]=4 5261 B13R0.54 N#CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000687738 [0,1,0,0,0,0|2,0,1]=4 5262 B13R0.54 N#CCCCSCCCCCC(=O)N 62a_100000687738_100009817443 [0,1,0,0,0,0|2,0,1]=4 5263 B13R0.54 N#CCCCSCCCCCC(=O)N 62a_100009817443_100000687738 [0,1,0,0,0,0|2,0,1]=4 5264 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [0,1,0,0,0,0|2,0,0]=3 5265 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [0,1,0,0,0,0|2,0,0]=3 5266 B13R0.54 NC(=O)CCCCCOCCCC=O 7a_100000123541_200011292268 [0,1,0,0,0,0|2,0,1]=4 5267 B13R0.54 NC(=O)CCCCCOCCCCBr 34a_100011216708_100009817443 [0,1,0,0,0,0|2,0,0]=3 5268 B13R0.54 NC(=O)CCCCCOCCCCCl 34a_100000210776_100009817443 [0,1,0,0,0,0|2,0,0]=3 5269 B13R0.54 NC(=O)CCCCCOCCCCCl 7a_100000210776_100009817443 [0,1,0,0,0,0|2,0,0]=3 5270 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100000123541_100000729493 [0,1,0,0,0,0|2,0,0]=3 5271 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100011995726_100009817443 [0,1,0,0,0,0|2,0,0]=3 5272 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100000123541_100000729493 [0,1,0,0,0,0|2,0,0]=3 5273 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100011995726_100009817443 [0,1,0,0,0,0|2,0,0]=3 5274 B13R0.54 NC(=O)CCCCCOCCCCI 34a_200012148704_100009817443 [0,1,0,0,0,0|2,0,0]=3 5275 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [0,1,0,0,0,0|2,0,0]=3 5276 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [0,1,0,0,0,0|2,0,0]=3 5277 B13R0.54 NC(=O)CCCCCSCCCC=O 62a_100009817443_200011292268 [0,1,0,0,0,0|2,0,1]=4 5278 B13R0.54 NC(=O)CCCCCSCCCC=O 62a_200011292268_100009817443 [0,1,0,0,0,0|2,0,1]=4 5279 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100000729493_100009817443 [0,1,0,0,0,0|2,0,0]=3 5280 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100009817443_100000729493 [0,1,0,0,0,0|2,0,0]=3 5281 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [0,1,0,0,0,0|2,0,0]=3 5282 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [0,1,0,0,0,0|2,0,0]=3 5283 B13R0.54 NC(=O)CCCCNCCCCCF 34a_100000696515_100000729378 [0,1,0,0,0,0|2,0,0]=3 5284 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [0,1,0,0,0,0|2,0,0]=3 5285 B13R0.54 NC(=O)CCCCNCCOCCO 34a_100000696515_100000692535 [0,1,0,0,0,0|3,0,0]=4 5286 B13R0.54 NC(=O)CCCCOCCCCC=O 7a_100012022536_100000139335 [0,1,0,0,0,0|2,0,1]=4 5287 B13R0.54 NC(=O)CCCCOCCCCCF 34a_100012022536_100000729378 [0,1,0,0,0,0|2,0,0]=3 5288 B13R0.54 NC(=O)CCCCOCCCCCF 7a_100012022536_100000729378 [0,1,0,0,0,0|2,0,0]=3 5289 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [0,1,0,0,0,0|2,0,0]=3 5290 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [0,1,0,0,0,0|2,0,0]=3 5291 B13R0.54 NC(=O)CCCCOCCOCCO 34a_100012022536_100000692535 [0,1,0,0,0,0|3,0,0]=4 5292 B13R0.54 NC(=O)CCCCOCCOCCO 7a_100012022536_100011215305 [0,1,0,0,0,0|3,0,0]=4 5293 B13R0.54 NC(=O)CCCNCCCCCCF 34a_100000739312_100015922095 [0,1,0,0,0,0|2,0,0]=3 5294 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [0,1,0,0,0,0|2,0,0]=3 5295 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [0,1,0,0,0,0|2,0,0]=3 5296 B13R0.54 NC(=O)CCCOCCCCCCBr 34a_100011215345_100102525003 [0,1,0,0,0,0|2,0,0]=3 5297 B13R0.54 NC(=O)CCCOCCCCCCBr 7a_100011215345_100102525003 [0,1,0,0,0,0|2,0,0]=3 5298 B13R0.54 NC(=O)CCCOCCCCCCCl 34a_100000766143_100102525003 [0,1,0,0,0,0|2,0,0]=3 5299 B13R0.54 NC(=O)CCCOCCCCCCCl 7a_100000766143_100102525003 [0,1,0,0,0,0|2,0,0]=3 5300 B13R0.54 NC(=O)CCCOCCCCCCF 34a_100000732779_100102525003 [0,1,0,0,0,0|2,0,0]=3 5301 B13R0.54 NC(=O)CCCOCCCCCCF 7a_100000732779_100102525003 [0,1,0,0,0,0|2,0,0]=3 5302 B13R0.54 NC(=O)CCCSCCCCCC=O 62a_100000139337_100102525003 [0,1,0,0,0,0|2,0,1]=4 5303 B13R0.54 NC(=O)CCCSCCCCCC=O 62a_100102525003_100000139337 [0,1,0,0,0,0|2,0,1]=4 5304 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100015922095_100102525003 [0,1,0,0,0,0|2,0,0]=3 5305 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100102525003_100015922095 [0,1,0,0,0,0|2,0,0]=3 5306 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [0,1,0,0,0,0|2,0,0]=3 5307 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [0,1,0,0,0,0|2,0,0]=3 5308 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [0,1,0,0,0,0|2,0,0]=3 5309 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [0,1,0,0,0,0|2,0,0]=3 5310 B13R0.54 NC(=O)CCNCCCOCCCO 2230a_100011310245_100000744528 [0,1,0,0,0,0|3,0,0]=4 5311 B13R0.54 NC(=O)CCNCCCOCCCO 34a_100011310245_100000731001 [0,1,0,0,0,0|3,0,0]=4 5312 B13R0.54 NC(=O)CCOCCCCCCCBr 34a_100000760002_100000731001 [0,1,0,0,0,0|2,0,0]=3 5313 B13R0.54 NC(=O)CCOCCCCCCCBr 7a_100000760002_100000744528 [0,1,0,0,0,0|2,0,0]=3 5314 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [0,1,0,0,0,0|2,0,0]=3 5315 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [0,1,0,0,0,0|2,0,0]=3 5316 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [0,1,0,0,0,0|2,0,0]=3 5317 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [0,1,0,0,0,0|2,0,0]=3 5318 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [0,1,0,0,0,0|2,0,0]=3 5319 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [0,1,0,0,0,0|2,0,0]=3 5320 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [0,1,0,0,0,0|2,0,0]=3 5321 B13R0.54 NC(=O)COCCCCCCCCBr 34a_100009813846_100000187820 [0,1,0,0,0,0|2,0,0]=3 5322 B13R0.54 NC(=O)COCCCCCCCCBr 7a_100009813846_100000187820 [0,1,0,0,0,0|2,0,0]=3 5323 B13R0.54 NC(=O)COCCCCCCCCCl 34a_100000033203_100000187820 [0,1,0,0,0,0|2,0,0]=3 5324 B13R0.54 NC(=O)COCCCCCCCCCl 7a_100000033203_100000187820 [0,1,0,0,0,0|2,0,0]=3 5325 B13R0.54 NC(=O)COCCNCCCCCO 2230a_100000762737_100000076697 [0,1,0,0,0,0|3,0,0]=4 5326 B13R0.54 NC(=O)COCCNCCCCCO 34a_100000762737_100000076697 [0,1,0,0,0,0|3,0,0]=4 5327 B13R0.54 NC(=O)COCCOCCCCCBr 34a_100000746331_100000076697 [0,1,0,0,0,0|3,0,0]=4 5328 B13R0.54 NC(=O)COCCOCCCCCBr 7a_100000746331_100000076697 [0,1,0,0,0,0|3,0,0]=4 5329 B13R0.54 NC(=O)COCCOCCCCCCl 34a_100000746330_100000076697 [0,1,0,0,0,0|3,0,0]=4 5330 B13R0.54 NC(=O)COCCOCCCCCCl 7a_100000746330_100000076697 [0,1,0,0,0,0|3,0,0]=4 5331 B13R0.54 NC(=O)COCCOCCCCCI 34a_200012148887_100000076697 [0,1,0,0,0,0|3,0,0]=4 5332 B13R0.54 NC(=O)COCCOCCCCCI 7a_200012148887_100000076697 [0,1,0,0,0,0|3,0,0]=4 5333 B13R0.54 NC(=O)COCCSCCCCCF 62a_100000076697_100000729378 [0,1,0,0,0,0|3,0,0]=4 5334 B13R0.54 NC(=O)COCCSCCCCCF 62a_100000729378_100000076697 [0,1,0,0,0,0|3,0,0]=4 5335 B13R0.54 NC(=O)COCCSCCCCCO 62a_100000076697_100000746330 [0,1,0,0,0,0|3,0,0]=4 5336 B13R0.54 NC(=O)COCCSCCCCCO 62a_100000746330_100000076697 [0,1,0,0,0,0|3,0,0]=4 5337 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [0,1,0,0,0,0|2,0,0]=3 5338 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [0,1,0,0,0,0|2,0,0]=3 5339 B13R0.54 NC(=O)NCCNCCCCCCF 34a_100020590234_100015922095 [0,1,0,0,0,0|3,0,0]=4 5340 B13R0.54 NC(=O)NCCNCCCCCCO 2230a_100000686447_200000034859 [0,1,0,0,0,0|3,0,0]=4 5341 B13R0.54 NC(=O)NCCNCCCCCCO 34a_100020590234_100000766143 [0,1,0,0,0,0|3,0,0]=4 5342 B13R0.54 NC(=O)NCCOCCCCCCBr 7a_100011215345_200000034859 [0,1,0,0,0,0|3,0,0]=4 5343 B13R0.54 NC(=O)NCCOCCCCCCCl 7a_100000766143_200000034859 [0,1,0,0,0,0|3,0,0]=4 5344 B13R0.54 NC(=O)NCCOCCCCCCF 34a_100000181757_100015922095 [0,1,0,0,0,0|3,0,0]=4 5345 B13R0.54 NC(=O)NCCOCCCCCCF 7a_100000732779_200000034859 [0,1,0,0,0,0|3,0,0]=4 5346 B13R0.54 NC(=O)NCCOCCCCCCO 34a_100000181757_100000766143 [0,1,0,0,0,0|3,0,0]=4 5347 B13R0.54 NC(=O)NCCSCCCCCCF 62a_100015922095_200000034859 [0,1,0,0,0,0|3,0,0]=4 5348 B13R0.54 NC(=O)NCCSCCCCCCF 62a_200000034859_100015922095 [0,1,0,0,0,0|3,0,0]=4 5349 B13R0.54 NC(=O)NCCSCCCCCCO 62a_100000766143_200000034859 [0,1,0,0,0,0|3,0,0]=4 5350 B13R0.54 NC(=O)NCCSCCCCCCO 62a_200000034859_100000766143 [0,1,0,0,0,0|3,0,0]=4 5351 B13R0.54 NC(=O)OCCNCCCCCCO 34a_100000686447_200011214921 [0,1,0,0,0,0|3,0,0]=4 5352 B13R0.54 NC(=O)OCCOCCCCCCBr 34a_100011215345_200011214921 [0,1,0,0,0,0|3,0,0]=4 5353 B13R0.54 NC(=O)OCCOCCCCCCBr 7a_100011215345_200011214921 [0,1,0,0,0,0|3,0,0]=4 5354 B13R0.54 NC(=O)OCCOCCCCCCCl 34a_100000766143_200011214921 [0,1,0,0,0,0|3,0,0]=4 5355 B13R0.54 NC(=O)OCCOCCCCCCCl 7a_100000766143_200011214921 [0,1,0,0,0,0|3,0,0]=4 5356 B13R0.54 NC(=O)OCCOCCCCCCF 34a_100000732779_200011214921 [0,1,0,0,0,0|3,0,0]=4 5357 B13R0.54 NC(=O)OCCOCCCCCCF 7a_100000732779_200011214921 [0,1,0,0,0,0|3,0,0]=4 5358 B13R0.54 NC(=O)OCCOCCCCCCF 7a_100000766696_100015922095 [0,1,0,0,0,0|3,0,0]=4 5359 B13R0.54 NC(=O)OCCOCCCCCCO 7a_100000766696_100000766143 [0,1,0,0,0,0|3,0,0]=4 5360 B13R0.54 NC(=O)OCCSCCCCCCF 62a_100015922095_200011214921 [0,1,0,0,0,0|3,0,0]=4 5361 B13R0.54 NC(=O)OCCSCCCCCCF 62a_200011214921_100015922095 [0,1,0,0,0,0|3,0,0]=4 5362 B13R0.54 NC(=O)OCCSCCCCCCO 62a_100000766143_200011214921 [0,1,0,0,0,0|3,0,0]=4 5363 B13R0.54 NC(=O)OCCSCCCCCCO 62a_200011214921_100000766143 [0,1,0,0,0,0|3,0,0]=4 5364 B13R0.54 NCCCCCCCCOCC(=O)N 34a_102515433106_100000187820 [0,1,0,0,0,0|2,0,0]=3 5365 B13R0.54 NCCCCCCCCOCC(=O)[O-] 34a_102515433106_100020667443 [0,1,0,0,0,0|2,0,0]=3 5366 B13R0.54 NCCCCCCCCOC[N+](=O)[O-] 34a_102515433106_100000761209 [0,1,0,0,0,0|3,0,0]=4 5367 B13R0.54 NCCCCCCCOCCC(=O)N 34a_100011996573_100000731001 [0,1,0,0,0,0|2,0,0]=3 5368 B13R0.54 NCCCCCCOCCCC(=O)N 34a_100000686447_100102525003 [0,1,0,0,0,0|2,0,0]=3 5369 B13R0.54 NCCCCCCOCCOC(=O)N 34a_100000686447_200011214921 [0,1,0,0,0,0|3,0,0]=4 5370 B13R0.54 NCCCCCOCCOCC(=O)N 34a_100000762737_100000076697 [0,1,0,0,0,0|3,0,0]=4 5371 B13R0.54 NCCCCOCCCCCC(=O)N 34a_100000750430_100009817443 [0,1,0,0,0,0|2,0,0]=3 5372 B13R0.54 NCCCOCCCOCCC(=O)N 34a_100011310245_100000731001 [0,1,0,0,0,0|3,0,0]=4 5373 B13R0.54 NCCNCCCCCOCC(=O)N 34a_103619048469_100000187820 [0,1,0,0,0,0|3,0,0]=4 5374 B13R0.54 NCCNCCCCCOCC(=O)[O-] 34a_103619048469_100020667443 [0,1,0,0,0,0|3,0,0]=4 5375 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [0,1,0,0,0,0|2,0,0]=3 5376 B13R0.54 O=C(O)COCCNCCCCCF 269956a_100000700818_100000729378 [0,1,0,0,0,0|3,0,0]=4 5377 B13R0.54 O=C(O)COCCNCCCCCO 269956a_100000700818_100000746330 [0,1,0,0,0,0|3,0,0]=4 5378 B13R0.54 O=C(O)CONCCCCCCCO 269956a_100000106656_100000760002 [0,1,0,0,0,0|3,0,0]=4 5379 B13R0.54 O=C([O-])CCCCCOCCCCF 7a_100102619762_100000729493 [0,1,0,0,0,0|2,0,0]=3 5380 B13R0.54 O=C([O-])CCCCCOCCCCO 7a_100102619762_100000210776 [0,1,0,0,0,0|2,0,0]=3 5381 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [0,1,0,0,0,0|2,0,0]=3 5382 B13R0.54 O=C([O-])COCCCCCCCCBr 34a_100009813846_100020667443 [0,1,0,0,0,0|2,0,0]=3 5383 B13R0.54 O=C([O-])COCCCCCCCCCl 34a_100000033203_100020667443 [0,1,0,0,0,0|2,0,0]=3 5384 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [0,1,0,0,0,0|2,0,0]=3 5385 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [0,1,0,0,0,0|2,0,0]=3 5386 B13R0.54 O=CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000139335 [0,1,0,0,0,0|3,0,0]=4 5387 B13R0.54 O=CCCCCOCCOCC(F)F 7a_100000704375_100000139335 [0,1,0,0,0,0|3,0,0]=4 5388 B13R0.54 O=CCCCCSCCCCB(O)O 62a_100000139335_200009817182 [0,1,0,0,0,0|3,0,0]=4 5389 B13R0.54 O=CCCCCSCCCCB(O)O 62a_200009817182_100000139335 [0,1,0,0,0,0|3,0,0]=4 5390 B13R0.54 O=CCCCCSCCOCC(F)F 62a_100000139335_200012177212 [0,1,0,0,0,0|3,0,0]=4 5391 B13R0.54 O=CCCCCSCCOCC(F)F 62a_200012177212_100000139335 [0,1,0,0,0,0|3,0,0]=4 5392 B13R0.54 O=CCCCOCCCCCC(=O)[O-] 7a_100102619762_200011292268 [0,1,0,0,0,0|2,0,1]=4 5393 B13R0.54 O=CCCCSCCCCCB(O)O 62a_200009817188_200011292268 [0,1,0,0,0,0|3,0,0]=4 5394 B13R0.54 O=CCCCSCCCCCB(O)O 62a_200011292268_200009817188 [0,1,0,0,0,0|3,0,0]=4 5395 B13R0.54 O=[N+]([O-])CCCCOCCCCCF 34a_200015379883_100000729378 [0,1,0,0,0,0|3,0,0]=4 5396 B13R0.54 O=[N+]([O-])CCCCOCCCCCF 7a_200015379883_100000729378 [0,1,0,0,0,0|3,0,0]=4 5397 B13R0.54 O=[N+]([O-])CCCCOCCCCCO 34a_200015379883_100000746330 [0,1,0,0,0,0|3,0,0]=4 5398 B13R0.54 O=[N+]([O-])CCCCOCCCCCO 7a_200015379883_100000746330 [0,1,0,0,0,0|3,0,0]=4 5399 B13R0.54 O=[N+]([O-])CCCOCCCCCCF 34a_200000037920_100015922095 [0,1,0,0,0,0|3,0,0]=4 5400 B13R0.54 O=[N+]([O-])CCCOCCCCCCO 34a_200000037920_100000766143 [0,1,0,0,0,0|3,0,0]=4 5401 B13R0.54 O=[N+]([O-])CNCCCCCCCCO 34a_102515433106_100000761209 [0,1,0,0,0,0|3,0,0]=4 5402 B13R0.54 O=[N+]([O-])COCCCCCCCCBr 34a_100009813846_100000761209 [0,1,0,0,0,0|3,0,0]=4 5403 B13R0.54 O=[N+]([O-])COCCCCCCCCCl 34a_100000033203_100000761209 [0,1,0,0,0,0|3,0,0]=4 5404 B13R0.54 O=[N+]([O-])CSCCCCCCCCO 62a_100000033203_100000761209 [0,1,0,0,0,0|3,0,0]=4 5405 B13R0.66 C#CCCC(=O)CCCCCCCC 1458a_100000210188_100000753159 [0,1,0,0,0,0|1,0,2]=4 5406 B13R0.66 C#CCCC(=O)CCCCCCCC 1458a_100000692101_100000210759 [0,1,0,0,0,0|1,0,2]=4 5407 B13R0.66 C#CCCCCCCC(=O)CCCC 1458a_100000034748_100000210211 [0,1,0,0,0,0|1,0,2]=4 5408 B13R0.66 C#CCCCCCCC(=O)CCCC 1458a_100000210183_100012276617 [0,1,0,0,0,0|1,0,2]=4 5409 B13R0.66 C#CCCCCCCN(C)CCCC 2230a_100000207549_100012276617 [0,1,0,0,0,0|2,0,1]=4 5410 B13R0.66 C#CCCCCCCN(C)CCCC 269982a_100000207549_100012276617 [0,1,0,0,0,0|2,0,1]=4 5411 B13R0.66 C#CCCCCCNC(C)CCCC 2230a_100000126638_100012094781 [0,1,0,0,0,0|2,0,1]=4 5412 B13R0.66 C#CCCCCCOC(C)CCCC 34a_100000687866_100012094781 [0,1,0,0,0,0|2,0,1]=4 5413 B13R0.66 C#CCCCCCOC(C)CCCC 34a_100000766912_200011215066 [0,1,0,0,0,0|2,0,1]=4 5414 B13R0.66 C#CCCCCCOC(C)CCCC 7a_100000687866_100012094781 [0,1,0,0,0,0|2,0,1]=4 5415 B13R0.66 C#CCCCCCOC(C)CCCC 7a_100000766912_200011215066 [0,1,0,0,0,0|2,0,1]=4 5416 B13R0.66 C#CCCCCCSC(C)CCCC 62a_100012094781_200011215066 [0,1,0,0,0,0|2,0,1]=4 5417 B13R0.66 C#CCCCCCSC(C)CCCC 62a_200011215066_100012094781 [0,1,0,0,0,0|2,0,1]=4 5418 B13R0.66 C#CCCCCOCC(C)CCCC 34a_100011995851_100010269958 [0,1,0,0,0,0|2,0,1]=4 5419 B13R0.66 C#CCCCCOCC(C)CCCC 7a_100011995851_100010269958 [0,1,0,0,0,0|2,0,1]=4 5420 B13R0.66 C#CCCCCOC[C@@H](N)CCCC 34a_100011934283_100010269958 [0,1,0,0,0,0|2,0,1]=4 5421 B13R0.66 C#CCCN(C)CCCCCCCC 2230a_100000207567_100000688953 [0,1,0,0,0,0|2,0,1]=4 5422 B13R0.66 C#CCCN(C)CCCCCCCC 269982a_100000207567_100000730999 [0,1,0,0,0,0|2,0,1]=4 5423 B13R0.66 C#CCOC(C)CCCCCCCC 34a_100000210740_100000184674 [0,1,0,0,0,0|2,0,1]=4 5424 B13R0.66 C#CCOC(C)CCCCCCCC 7a_100000210740_100000038162 [0,1,0,0,0,0|2,0,1]=4 5425 B13R0.66 C#CCOCCCCC(C)CCCC 34a_200011021034_100000184674 [0,1,0,0,0,0|2,0,1]=4 5426 B13R0.66 C#CCOCCCCC(C)CCCC 7a_200011021034_100000038162 [0,1,0,0,0,0|2,0,1]=4 5427 B13R0.66 C/C=C/CC(=O)CCCCCCCC 1458a_100000210188_100102629194 [0,1,0,0,0,0|1,0,2]=4 5428 B13R0.66 C/C=C/CN(C)CCCCCCCC 269982a_100000207567_100102629194 [0,1,0,0,0,0|2,0,1]=4 5429 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000210188_100000754431 [0,1,0,0,0,0|1,0,1]=3 5430 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000749702_100000210759 [0,1,0,0,0,0|1,0,1]=3 5431 B13R0.66 C=CCCC(=O)CCCCCCCO 1458a_100000749702_100000760002 [0,1,0,0,0,0|2,0,1]=4 5432 B13R0.66 C=CCCC(=O)CCCCCCCO 1458a_100011219782_100000754431 [0,1,0,0,0,0|2,0,1]=4 5433 B13R0.66 C=CCCC(=O)CCCCCCOC 1458a_100000749702_100011998445 [0,1,0,0,0,0|2,0,1]=4 5434 B13R0.66 C=CCCC(=O)NCCCCCCC 11a_100000229938_100000749702 [0,1,0,0,0,0|2,0,1]=4 5435 B13R0.66 C=CCCC(=O)NCCCCCCC 1626a_100000229938_100000749702 [0,1,0,0,0,0|2,0,1]=4 5436 B13R0.66 C=CCCC(=O)NCCCCCCC 240690a_100000229938_100000749702 [0,1,0,0,0,0|2,0,1]=4 5437 B13R0.66 C=CCCC(=O)NCCCCCCC 527a_100000229938_100000749702 [0,1,0,0,0,0|2,0,1]=4 5438 B13R0.66 C=CCCC(C)NCCCCCCC 270004a_100000229938_100000762624 [0,1,0,0,0,0|2,0,0]=3 5439 B13R0.66 C=CCCC(C)NCCCCCCO 270004a_100000686447_100000762624 [0,1,0,0,0,0|3,0,0]=4 5440 B13R0.66 C=CCCC(C)NCCCCCOC 270004a_100000747528_100000762624 [0,1,0,0,0,0|3,0,0]=4 5441 B13R0.66 C=CCCC(C)NCCCOCCC 270004a_100011217757_100000762624 [0,1,0,0,0,0|3,0,0]=4 5442 B13R0.66 C=CCCC(C)NCCSCCCC 270004a_100025743550_100000762624 [0,1,0,0,0,0|3,0,0]=4 5443 B13R0.66 C=CCCC(C)OCCCCCC=O 7a_100000765329_100000139337 [0,1,0,0,0,0|1,0,2]=4 5444 B13R0.66 C=CCCC(C)OCCCCCCC 34a_100000765329_100000210614 [0,1,0,0,0,0|2,0,0]=3 5445 B13R0.66 C=CCCC(C)OCCCCCCC 7a_100000765329_100000210614 [0,1,0,0,0,0|2,0,0]=3 5446 B13R0.66 C=CCCC(C)OCCCCCCF 34a_100000765329_100015922095 [0,1,0,0,0,0|3,0,0]=4 5447 B13R0.66 C=CCCC(C)OCCCCCCF 7a_100000765329_100015922095 [0,1,0,0,0,0|3,0,0]=4 5448 B13R0.66 C=CCCC(C)OCCCCCCO 34a_100000765329_100000766143 [0,1,0,0,0,0|3,0,0]=4 5449 B13R0.66 C=CCCC(C)OCCCCCCO 7a_100000765329_100000766143 [0,1,0,0,0,0|3,0,0]=4 5450 B13R0.66 C=CCCC(C)OCCOCCCC 34a_100000765329_100000743108 [0,1,0,0,0,0|3,0,0]=4 5451 B13R0.66 C=CCCC(C)OCCOCCCC 7a_100000765329_100000743108 [0,1,0,0,0,0|3,0,0]=4 5452 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100000210183_100011215473 [0,1,0,0,0,0|1,0,1]=3 5453 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100011809334_100000210211 [0,1,0,0,0,0|1,0,1]=3 5454 B13R0.66 C=CCCCCCCC(=O)CCCF 1458a_100011809334_100011934791 [0,1,0,0,0,0|2,0,1]=4 5455 B13R0.66 C=CCCCCCCC(=O)CCCO 1458a_100011809334_100011215043 [0,1,0,0,0,0|2,0,1]=4 5456 B13R0.66 C=CCCCCCCC(=O)CCOC 1458a_100000749529_100011215473 [0,1,0,0,0,0|2,0,1]=4 5457 B13R0.66 C=CCCCCCCC(=O)CCOC 1458a_100011809334_100000233755 [0,1,0,0,0,0|2,0,1]=4 5458 B13R0.66 C=CCCCCCCC(=O)CCSC 1458a_100000174002_100011215473 [0,1,0,0,0,0|2,0,1]=4 5459 B13R0.66 C=CCCCCCCC(=O)CCSC 1458a_100011809334_100000751147 [0,1,0,0,0,0|2,0,1]=4 5460 B13R0.66 C=CCCCCCCC(=O)COCC 1458a_100000211967_100011215473 [0,1,0,0,0,0|2,0,1]=4 5461 B13R0.66 C=CCCCCCCC(=O)CSCC 1458a_100000230394_100011215473 [0,1,0,0,0,0|2,0,1]=4 5462 B13R0.66 C=CCCCCCCC(=O)NCCC 11a_100020643023_100011809334 [0,1,0,0,0,0|2,0,1]=4 5463 B13R0.66 C=CCCCCCCC(=O)NCCC 1626a_100020643023_100011809334 [0,1,0,0,0,0|2,0,1]=4 5464 B13R0.66 C=CCCCCCCC(=O)NCCC 240690a_100020643023_100011809334 [0,1,0,0,0,0|2,0,1]=4 5465 B13R0.66 C=CCCCCCCC(=O)NCCC 527a_100020643023_100011809334 [0,1,0,0,0,0|2,0,1]=4 5466 B13R0.66 C=CCCCCCCN(C)CCCC 2230a_100000207549_100011215473 [0,1,0,0,0,0|2,0,0]=3 5467 B13R0.66 C=CCCCCCCN(C)CCCC 269982a_100000207549_100011215473 [0,1,0,0,0,0|2,0,0]=3 5468 B13R0.66 C=CCCCCCCN(C)CCCO 2230a_100000213112_100011215473 [0,1,0,0,0,0|3,0,0]=4 5469 B13R0.66 C=CCCCCCCN(C)CCCO 269982a_100000213112_100011215473 [0,1,0,0,0,0|3,0,0]=4 5470 B13R0.66 C=CCCCCCCN(C)CCOC 2230a_100000743101_100011215473 [0,1,0,0,0,0|3,0,0]=4 5471 B13R0.66 C=CCCCCCCN(C)CCOC 269982a_100000743101_100011215473 [0,1,0,0,0,0|3,0,0]=4 5472 B13R0.66 C=CCCCCCCN(C)CCSC 2230a_100000686725_100011215473 [0,1,0,0,0,0|3,0,0]=4 5473 B13R0.66 C=CCCCCCCN(C)CCSC 269982a_100000686725_100011215473 [0,1,0,0,0,0|3,0,0]=4 5474 B13R0.66 C=CCCCCCNC(C)CCCC 2230a_100000126638_100000700193 [0,1,0,0,0,0|2,0,0]=3 5475 B13R0.66 C=CCCCCCOC(C)CCCC 34a_100000687866_100000700193 [0,1,0,0,0,0|2,0,0]=3 5476 B13R0.66 C=CCCCCCOC(C)CCCC 34a_100011216702_200011215066 [0,1,0,0,0,0|2,0,0]=3 5477 B13R0.66 C=CCCCCCOC(C)CCCC 7a_100000687866_100000700193 [0,1,0,0,0,0|2,0,0]=3 5478 B13R0.66 C=CCCCCCOC(C)CCCC 7a_100011216702_200011215066 [0,1,0,0,0,0|2,0,0]=3 5479 B13R0.66 C=CCCCCCOC(C)CCCCl 34a_200000718107_100000700193 [0,1,0,0,0,0|3,0,0]=4 5480 B13R0.66 C=CCCCCCOC(C)CCCCl 7a_200000718107_100000700193 [0,1,0,0,0,0|3,0,0]=4 5481 B13R0.66 C=CCCCCCOC(C)COCC 34a_100000718985_100000700193 [0,1,0,0,0,0|3,0,0]=4 5482 B13R0.66 C=CCCCCCOC(C)COCC 7a_100000718985_100000700193 [0,1,0,0,0,0|3,0,0]=4 5483 B13R0.66 C=CCCCCCSC(C)CCCC 62a_100000700193_200011215066 [0,1,0,0,0,0|2,0,0]=3 5484 B13R0.66 C=CCCCCCSC(C)CCCC 62a_200011215066_100000700193 [0,1,0,0,0,0|2,0,0]=3 5485 B13R0.66 C=CCCCCNCC(C)OCCC 2230a_100015185124_100011215482 [0,1,0,0,0,0|3,0,0]=4 5486 B13R0.66 C=CCCCCNCC(C)OCCC 34a_100015185124_100011215482 [0,1,0,0,0,0|3,0,0]=4 5487 B13R0.66 C=CCCCCNCC(O)COCC 2230a_102515437182_100011215482 [0,1,0,0,0,0|3,0,0]=4 5488 B13R0.66 C=CCCCCNCC(O)COCC 34a_102515437182_100011215482 [0,1,0,0,0,0|3,0,0]=4 5489 B13R0.66 C=CCCCCNC[C@H](C)CCCO 2230a_100160569302_100011215482 [0,1,0,0,0,0|3,0,0]=4 5490 B13R0.66 C=CCCCCNC[C@H](C)CCCO 34a_100160569302_100011215482 [0,1,0,0,0,0|3,0,0]=4 5491 B13R0.66 C=CCCCCOCC(C)CCCC 34a_100011995851_100011215482 [0,1,0,0,0,0|2,0,0]=3 5492 B13R0.66 C=CCCCCOCC(C)CCCC 7a_100011995851_100011215482 [0,1,0,0,0,0|2,0,0]=3 5493 B13R0.66 C=CCCCCOC[C@@H](N)CCCC 34a_100011934283_100011215482 [0,1,0,0,0,0|2,0,0]=3 5494 B13R0.66 C=CCCCCOC[C@@H](N)CCSC 34a_100011827619_100011215482 [0,1,0,0,0,0|3,0,0]=4 5495 B13R0.66 C=CCCN(C)CCCCCCCC 2230a_100000207567_100000754431 [0,1,0,0,0,0|2,0,0]=3 5496 B13R0.66 C=CCCN(C)CCCCCCCC 2230a_100020639649_100000210759 [0,1,0,0,0,0|2,0,0]=3 5497 B13R0.66 C=CCCN(C)CCCCCCCC 269982a_100000207567_100000754431 [0,1,0,0,0,0|2,0,0]=3 5498 B13R0.66 C=CCCN(C)CCCCCCCC 269982a_100020639649_100000210759 [0,1,0,0,0,0|2,0,0]=3 5499 B13R0.66 C=CCCN(C)CCCCCCCO 2230a_100020639649_100000760002 [0,1,0,0,0,0|3,0,0]=4 5500 B13R0.66 C=CCCN(C)CCCCCCCO 269982a_100020639649_100000760002 [0,1,0,0,0,0|3,0,0]=4 5501 B13R0.66 C=CCCN(C)CCCCCCOC 2230a_100020639649_100011998445 [0,1,0,0,0,0|3,0,0]=4 5502 B13R0.66 C=CCCN(C)CCCCCCOC 269982a_100020639649_100011998445 [0,1,0,0,0,0|3,0,0]=4 5503 B13R0.66 C=CCNC(=O)CCCCCCCC 1626a_100020586998_100000210188 [0,1,0,0,0,0|2,0,1]=4 5504 B13R0.66 C=CCNC(=O)CCCCCCCC 240690a_100020586998_100000210188 [0,1,0,0,0,0|2,0,1]=4 5505 B13R0.66 C=CCNC(=O)CCCCCCCC 527a_100020586998_100000210188 [0,1,0,0,0,0|2,0,1]=4 5506 B13R0.66 C=CCNC(C)CCCCCCCC 270004a_100020586998_100011216694 [0,1,0,0,0,0|2,0,0]=3 5507 B13R0.66 C=CCOC(C)CCCCCCCC 34a_100000210740_100015514636 [0,1,0,0,0,0|2,0,0]=3 5508 B13R0.66 C=CCOC(C)CCCCCCCC 7a_100000210740_100015514636 [0,1,0,0,0,0|2,0,0]=3 5509 B13R0.66 C=CCOCCCCC(C)CCCC 34a_200011021034_100015514636 [0,1,0,0,0,0|2,0,0]=3 5510 B13R0.66 C=CCOCCCCC(C)CCCC 7a_200011021034_100015514636 [0,1,0,0,0,0|2,0,0]=3 5511 B13R0.66 C=COCCCCOC(C)CCCC 34a_100000031558_200011215066 [0,1,0,0,0,0|3,0,0]=4 5512 B13R0.66 C=COCCCCOC(C)CCCC 7a_100000031558_200011215066 [0,1,0,0,0,0|3,0,0]=4 5513 B13R0.66 CC(CCCCl)OCCCCCC=O 7a_200000718107_100000139337 [0,1,0,0,0,0|2,0,0]=3 5514 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100000210188_100000070051 [0,1,0,0,0,0|1,0,2]=4 5515 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100121576822_100000210759 [0,1,0,0,0,0|1,0,2]=4 5516 B13R0.66 CC=CCN(C)CCCCCCCC 2230a_100000207567_100000070051 [0,1,0,0,0,0|2,0,1]=4 5517 B13R0.66 CCC#CC(C)OCCCCCC=O 7a_100000033903_100000139337 [0,1,0,0,0,0|1,0,2]=4 5518 B13R0.66 CCCCC(=O)CCCCCCC#N 1458a_100000210183_100009813337 [0,1,0,0,0,0|1,0,2]=4 5519 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100000210183_100000760002 [0,1,0,0,0,0|0,0,3]=4 5520 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100011219782_100000210211 [0,1,0,0,0,0|0,0,3]=4 5521 B13R0.66 CCCCC(=O)CCCCCCOC 1458a_100000210183_100011998445 [0,1,0,0,0,0|2,0,1]=4 5522 B13R0.66 CCCCC(C)CCCCOCC#N 7a_200011021034_100011215382 [0,1,0,0,0,0|2,0,1]=4 5523 B13R0.66 CCCCC(C)CCCCOCC=O 34a_200011021034_200009817547 [0,1,0,0,0,0|1,0,0]=2 5524 B13R0.66 CCCCC(C)CCCCOCC=O 7a_200011021034_200015260668 [0,1,0,0,0,0|1,0,0]=2 5525 B13R0.66 CCCCC(C)CCCCOCCC 34a_200011021034_100000210303 [0,1,0,0,0,0|2,0,1]=4 5526 B13R0.66 CCCCC(C)CCCCOCCC 7a_200011021034_100000210303 [0,1,0,0,0,0|2,0,1]=4 5527 B13R0.66 CCCCC(C)CCCCOCCF 34a_200011021034_100011217306 [0,1,0,0,0,0|2,0,1]=4 5528 B13R0.66 CCCCC(C)CCCCOCCF 7a_200011021034_100011217306 [0,1,0,0,0,0|2,0,1]=4 5529 B13R0.66 CCCCC(C)CCCCOCCO 34a_200011021034_100000211926 [0,1,0,0,0,0|1,0,2]=4 5530 B13R0.66 CCCCC(C)CCCCOCCO 7a_200011021034_100000211926 [0,1,0,0,0,0|1,0,2]=4 5531 B13R0.66 CCCCC(C)CCCCOCSC 34a_200011021034_100011218213 [0,1,0,0,0,0|3,0,0]=4 5532 B13R0.66 CCCCC(C)COCCCCC#N 7a_100011995851_100000211819 [0,1,0,0,0,0|2,0,1]=4 5533 B13R0.66 CCCCC(C)COCCCCC=O 7a_100011995851_100000139335 [0,1,0,0,0,0|1,0,0]=2 5534 B13R0.66 CCCCC(C)COCCCCCF 34a_100011995851_100000729378 [0,1,0,0,0,0|2,0,1]=4 5535 B13R0.66 CCCCC(C)COCCCCCF 7a_100011995851_100000729378 [0,1,0,0,0,0|2,0,1]=4 5536 B13R0.66 CCCCC(C)COCCCCCO 34a_100011995851_100000746330 [0,1,0,0,0,0|1,0,2]=4 5537 B13R0.66 CCCCC(C)COCCCCCO 7a_100011995851_100000746330 [0,1,0,0,0,0|1,0,2]=4 5538 B13R0.66 CCCCC(C)COCCCCOC 34a_100011995851_100000755781 [0,1,0,0,0,0|3,0,0]=4 5539 B13R0.66 CCCCC(C)COCCCCOC 7a_100011995851_100000730899 [0,1,0,0,0,0|3,0,0]=4 5540 B13R0.66 CCCCC(C)NCCCCCC#N 2230a_100000126638_100009813376 [0,1,0,0,0,0|2,0,1]=4 5541 B13R0.66 CCCCC(C)NCCCCCC#N 270004a_100000061152_100000210087 [0,1,0,0,0,0|2,0,1]=4 5542 B13R0.66 CCCCC(C)NCCCCCC=O 2230a_100000126638_100000139337 [0,1,0,0,0,0|1,0,0]=2 5543 B13R0.66 CCCCC(C)NCCCCCCF 2230a_100000126638_100015922095 [0,1,0,0,0,0|2,0,1]=4 5544 B13R0.66 CCCCC(C)NCCCCCCO 2230a_100000126638_100000766143 [0,1,0,0,0,0|1,0,2]=4 5545 B13R0.66 CCCCC(C)NCCCCCCO 2230a_100000686447_200011215066 [0,1,0,0,0,0|1,0,2]=4 5546 B13R0.66 CCCCC(C)NCCCCCCO 270004a_100000686447_100000210087 [0,1,0,0,0,0|1,0,2]=4 5547 B13R0.66 CCCCC(C)NCCCCCCO 34a_100000686447_200011215066 [0,1,0,0,0,0|1,0,2]=4 5548 B13R0.66 CCCCC(C)NCCCCCOC 2230a_100000747528_200011215066 [0,1,0,0,0,0|3,0,0]=4 5549 B13R0.66 CCCCC(C)NCCCCCOC 270004a_100000747528_100000210087 [0,1,0,0,0,0|3,0,0]=4 5550 B13R0.66 CCCCC(C)NCCCCCOC 34a_100000747528_200011215066 [0,1,0,0,0,0|3,0,0]=4 5551 B13R0.66 CCCCC(C)OCCCCCC#N 7a_100000687866_100009813376 [0,1,0,0,0,0|2,0,1]=4 5552 B13R0.66 CCCCC(C)OCCCCCC=O 7a_100000687866_100000139337 [0,1,0,0,0,0|1,0,0]=2 5553 B13R0.66 CCCCC(C)OCCCCCCBr 34a_100011215345_200011215066 [0,1,0,0,0,0|2,0,1]=4 5554 B13R0.66 CCCCC(C)OCCCCCCBr 7a_100011215345_200011215066 [0,1,0,0,0,0|2,0,1]=4 5555 B13R0.66 CCCCC(C)OCCCCCCCl 34a_100000766143_200011215066 [0,1,0,0,0,0|2,0,1]=4 5556 B13R0.66 CCCCC(C)OCCCCCCCl 7a_100000766143_200011215066 [0,1,0,0,0,0|2,0,1]=4 5557 B13R0.66 CCCCC(C)OCCCCCCF 34a_100000687866_100015922095 [0,1,0,0,0,0|2,0,1]=4 5558 B13R0.66 CCCCC(C)OCCCCCCF 34a_100000732779_200011215066 [0,1,0,0,0,0|2,0,1]=4 5559 B13R0.66 CCCCC(C)OCCCCCCF 7a_100000687866_100015922095 [0,1,0,0,0,0|2,0,1]=4 5560 B13R0.66 CCCCC(C)OCCCCCCF 7a_100000732779_200011215066 [0,1,0,0,0,0|2,0,1]=4 5561 B13R0.66 CCCCC(C)OCCCCCCN 34a_100000686447_200011215066 [0,1,0,0,0,0|2,0,1]=4 5562 B13R0.66 CCCCC(C)OCCCCCCO 34a_100000687866_100000766143 [0,1,0,0,0,0|1,0,2]=4 5563 B13R0.66 CCCCC(C)OCCCCCCO 7a_100000687866_100000766143 [0,1,0,0,0,0|1,0,2]=4 5564 B13R0.66 CCCCC(C)OCCCCCNC 34a_100000722520_200011215066 [0,1,0,0,0,0|3,0,0]=4 5565 B13R0.66 CCCCC(C)SCCCCCC#N 62a_100009813376_200011215066 [0,1,0,0,0,0|2,0,1]=4 5566 B13R0.66 CCCCC(C)SCCCCCC#N 62a_200011215066_100009813376 [0,1,0,0,0,0|2,0,1]=4 5567 B13R0.66 CCCCC(C)SCCCCCC=O 62a_100000139337_200011215066 [0,1,0,0,0,0|1,0,0]=2 5568 B13R0.66 CCCCC(C)SCCCCCC=O 62a_200011215066_100000139337 [0,1,0,0,0,0|1,0,0]=2 5569 B13R0.66 CCCCC(C)SCCCCCCF 62a_100015922095_200011215066 [0,1,0,0,0,0|2,0,1]=4 5570 B13R0.66 CCCCC(C)SCCCCCCF 62a_200011215066_100015922095 [0,1,0,0,0,0|2,0,1]=4 5571 B13R0.66 CCCCC(C)SCCCCCCO 62a_100000766143_200011215066 [0,1,0,0,0,0|1,0,2]=4 5572 B13R0.66 CCCCC(C)SCCCCCCO 62a_200011215066_100000766143 [0,1,0,0,0,0|1,0,2]=4 5573 B13R0.66 CCCCCCCCC(=O)CCC#N 1458a_100000210188_100011215226 [0,1,0,0,0,0|1,0,2]=4 5574 B13R0.66 CCCCCCCCC(=O)CCC#N 1458a_100011934036_100000210759 [0,1,0,0,0,0|1,0,2]=4 5575 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210183_100000210759 [0,1,0,0,0,0|1,0,2]=4 5576 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210188_100000210211 [0,1,0,0,0,0|1,0,2]=4 5577 B13R0.66 CCCCCCCCC(=O)CCCF 1458a_100000210188_100011934791 [0,1,0,0,0,0|1,0,2]=4 5578 B13R0.66 CCCCCCCCC(=O)CCCO 1458a_100000210188_100011215043 [0,1,0,0,0,0|0,0,3]=4 5579 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000210188_100000233755 [0,1,0,0,0,0|2,0,1]=4 5580 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000749529_100000210759 [0,1,0,0,0,0|2,0,1]=4 5581 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000174002_100000210759 [0,1,0,0,0,0|2,0,1]=4 5582 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000210188_100000751147 [0,1,0,0,0,0|2,0,1]=4 5583 B13R0.66 CCCCCCCCC(C)CNCC 270004a_100015525214_100011995885 [0,1,0,0,0,0|2,0,1]=4 5584 B13R0.66 CCCCCCCCC(C)COCC 34a_200012125181_100000210202 [0,1,0,0,0,0|2,0,1]=4 5585 B13R0.66 CCCCCCCCC(C)COCC 7a_200012125181_100000210202 [0,1,0,0,0,0|2,0,1]=4 5586 B13R0.66 CCCCCCCCC(C)COCF 34a_200012125181_100015361967 [0,1,0,0,0,0|2,0,1]=4 5587 B13R0.66 CCCCCCCCC(C)COCF 7a_200012125181_100015361967 [0,1,0,0,0,0|2,0,1]=4 5588 B13R0.66 CCCCCCCCC(C)NCCC 270004a_100020643023_100011216694 [0,1,0,0,0,0|2,0,1]=4 5589 B13R0.66 CCCCCCCCC(C)NCCO 270004a_100000210304_100011216694 [0,1,0,0,0,0|1,0,2]=4 5590 B13R0.66 CCCCCCCCC(C)OCC#N 7a_100000210740_100011215382 [0,1,0,0,0,0|2,0,1]=4 5591 B13R0.66 CCCCCCCCC(C)OCC=O 34a_100000210740_200009817547 [0,1,0,0,0,0|1,0,0]=2 5592 B13R0.66 CCCCCCCCC(C)OCC=O 7a_100000210740_200015260668 [0,1,0,0,0,0|1,0,0]=2 5593 B13R0.66 CCCCCCCCC(C)OCCC 34a_100000210740_100000210303 [0,1,0,0,0,0|2,0,1]=4 5594 B13R0.66 CCCCCCCCC(C)OCCC 7a_100000210740_100000210303 [0,1,0,0,0,0|2,0,1]=4 5595 B13R0.66 CCCCCCCCC(C)OCCF 34a_100000210740_100011217306 [0,1,0,0,0,0|2,0,1]=4 5596 B13R0.66 CCCCCCCCC(C)OCCF 7a_100000210740_100011217306 [0,1,0,0,0,0|2,0,1]=4 5597 B13R0.66 CCCCCCCCC(C)OCCO 34a_100000210740_100000211926 [0,1,0,0,0,0|1,0,2]=4 5598 B13R0.66 CCCCCCCCC(C)OCCO 7a_100000210740_100000211926 [0,1,0,0,0,0|1,0,2]=4 5599 B13R0.66 CCCCCCCCC(C)OCSC 34a_100000210740_100011218213 [0,1,0,0,0,0|3,0,0]=4 5600 B13R0.66 CCCCCCCCN(C)CCC#N 2230a_100000184479_100000210759 [0,1,0,0,0,0|2,0,1]=4 5601 B13R0.66 CCCCCCCCN(C)CCC#N 2230a_100000207567_100011215226 [0,1,0,0,0,0|2,0,1]=4 5602 B13R0.66 CCCCCCCCN(C)CCC#N 2230a_200000208009_200000210301 [0,1,0,0,0,0|2,0,1]=4 5603 B13R0.66 CCCCCCCCN(C)CCC#N 269982a_100000207567_100011215226 [0,1,0,0,0,0|2,0,1]=4 5604 B13R0.66 CCCCCCCCN(C)CCCC 2230a_100000207549_100000210759 [0,1,0,0,0,0|2,0,1]=4 5605 B13R0.66 CCCCCCCCN(C)CCCC 2230a_100000207567_100000210211 [0,1,0,0,0,0|2,0,1]=4 5606 B13R0.66 CCCCCCCCN(C)CCCC 269982a_100000207549_100000210759 [0,1,0,0,0,0|2,0,1]=4 5607 B13R0.66 CCCCCCCCN(C)CCCC 269982a_100000207567_100000210211 [0,1,0,0,0,0|2,0,1]=4 5608 B13R0.66 CCCCCCCCN(C)CCCF 2230a_100000207567_100011934791 [0,1,0,0,0,0|2,0,1]=4 5609 B13R0.66 CCCCCCCCN(C)CCCF 269982a_100000207567_100011934791 [0,1,0,0,0,0|2,0,1]=4 5610 B13R0.66 CCCCCCCCN(C)CCCO 2230a_100000207567_100000230001 [0,1,0,0,0,0|1,0,2]=4 5611 B13R0.66 CCCCCCCCN(C)CCCO 2230a_100000213112_100000210759 [0,1,0,0,0,0|1,0,2]=4 5612 B13R0.66 CCCCCCCCN(C)CCCO 269982a_100000207567_100011215043 [0,1,0,0,0,0|1,0,2]=4 5613 B13R0.66 CCCCCCCCN(C)CCCO 269982a_100000213112_100000210759 [0,1,0,0,0,0|1,0,2]=4 5614 B13R0.66 CCCCCCCCN(C)CCOC 2230a_100000207567_100011201679 [0,1,0,0,0,0|3,0,0]=4 5615 B13R0.66 CCCCCCCCN(C)CCOC 2230a_100000743101_100000210759 [0,1,0,0,0,0|3,0,0]=4 5616 B13R0.66 CCCCCCCCN(C)CCOC 269982a_100000207567_100000233755 [0,1,0,0,0,0|3,0,0]=4 5617 B13R0.66 CCCCCCCCN(C)CCOC 269982a_100000743101_100000210759 [0,1,0,0,0,0|3,0,0]=4 5618 B13R0.66 CCCCCCCCN(C)CCSC 2230a_100000207567_100000751147 [0,1,0,0,0,0|3,0,0]=4 5619 B13R0.66 CCCCCCCCN(C)CCSC 2230a_100000686725_100000210759 [0,1,0,0,0,0|3,0,0]=4 5620 B13R0.66 CCCCCCCCN(C)CCSC 269982a_100000207567_100000212216 [0,1,0,0,0,0|3,0,0]=4 5621 B13R0.66 CCCCCCCCN(C)CCSC 269982a_100000686725_100000210759 [0,1,0,0,0,0|3,0,0]=4 5622 B13R0.66 CCCCCCCCN([13CH3])CCC#N 2230a_200000208009_200025704644 [0,1,0,0,0,0|2,0,1]=4 5623 B13R0.66 CCCCCCCNC(C)CCCC 2230a_100000126638_100000210681 [0,1,0,0,0,0|2,0,1]=4 5624 B13R0.66 CCCCCCCNC(C)CCCC 2230a_100000229938_200011215066 [0,1,0,0,0,0|2,0,1]=4 5625 B13R0.66 CCCCCCCNC(C)CCCC 270004a_100000229938_100000210087 [0,1,0,0,0,0|2,0,1]=4 5626 B13R0.66 CCCCCCCNC(C)CCOC 270004a_100000229938_100000742357 [0,1,0,0,0,0|3,0,0]=4 5627 B13R0.66 CCCCCCCNC(C)CCSC 270004a_100000229938_100011217047 [0,1,0,0,0,0|3,0,0]=4 5628 B13R0.66 CCCCCCCOC(C)CCCC 34a_100000210272_200011215066 [0,1,0,0,0,0|2,0,1]=4 5629 B13R0.66 CCCCCCCOC(C)CCCC 34a_100000687866_100000210614 [0,1,0,0,0,0|2,0,1]=4 5630 B13R0.66 CCCCCCCOC(C)CCCC 7a_100000210272_200011215066 [0,1,0,0,0,0|2,0,1]=4 5631 B13R0.66 CCCCCCCOC(C)CCCC 7a_100000687866_100000210614 [0,1,0,0,0,0|2,0,1]=4 5632 B13R0.66 CCCCCCCOC(C)CCCCl 34a_200000718107_100000210614 [0,1,0,0,0,0|2,0,1]=4 5633 B13R0.66 CCCCCCCOC(C)CCCCl 7a_200000718107_100000210614 [0,1,0,0,0,0|2,0,1]=4 5634 B13R0.66 CCCCCCCSC(C)CCCC 62a_100000210614_200011215066 [0,1,0,0,0,0|2,0,1]=4 5635 B13R0.66 CCCCCCCSC(C)CCCC 62a_200011215066_100000210316 [0,1,0,0,0,0|2,0,1]=4 5636 B13R0.66 CCCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210314 [0,1,0,0,0,0|1,0,2]=4 5637 B13R0.66 CCCCCCNC[C@H](C)CCCO 34a_100160569302_100000210314 [0,1,0,0,0,0|1,0,2]=4 5638 B13R0.66 CCCCCCOCC(C)CCCC 34a_100011995851_100000210314 [0,1,0,0,0,0|2,0,1]=4 5639 B13R0.66 CCCCCCOCC(C)CCCC 7a_100011995851_100000210314 [0,1,0,0,0,0|2,0,1]=4 5640 B13R0.66 CCCCCCOC[C@@H](N)CCCC 34a_100011934283_100000210314 [0,1,0,0,0,0|2,0,1]=4 5641 B13R0.66 CCCCCCOC[C@@H](N)CCSC 34a_100011827619_100000210314 [0,1,0,0,0,0|3,0,0]=4 5642 B13R0.66 CCCCN(C)CCCCCCC#N 2230a_100000207549_100009813337 [0,1,0,0,0,0|2,0,1]=4 5643 B13R0.66 CCCCN(C)CCCCCCC#N 269982a_100000207549_100009813337 [0,1,0,0,0,0|2,0,1]=4 5644 B13R0.66 CCCCN(C)CCCCCCCO 2230a_100000207549_100000760002 [0,1,0,0,0,0|1,0,2]=4 5645 B13R0.66 CCCCN(C)CCCCCCCO 269982a_100000207549_100000760002 [0,1,0,0,0,0|1,0,2]=4 5646 B13R0.66 CCCCN(C)CCCCCCOC 2230a_100000207549_100011998445 [0,1,0,0,0,0|3,0,0]=4 5647 B13R0.66 CCCCN(C)CCCCCCOC 269982a_100000207549_100011998445 [0,1,0,0,0,0|3,0,0]=4 5648 B13R0.66 CCCC[C@H](N)COCCCCCF 34a_100011934283_100000729378 [0,1,0,0,0,0|2,0,1]=4 5649 B13R0.66 CCCC[C@H](N)COCCCCCO 34a_100011934283_100000746330 [0,1,0,0,0,0|1,0,2]=4 5650 B13R0.66 CCCC[C@H](N)COCCCCOC 34a_100011934283_100000755781 [0,1,0,0,0,0|3,0,0]=4 5651 B13R0.66 CCCNC(=O)CNCCCCC=O 2230a_100000174927_100000139335 [0,1,0,0,0,0|2,0,1]=4 5652 B13R0.66 CCCNC(=O)CSCCCCC=O 62a_100000139335_100000183358 [0,1,0,0,0,0|2,0,1]=4 5653 B13R0.66 CCCNC(=O)CSCCCCC=O 62a_100000183358_100000139335 [0,1,0,0,0,0|2,0,1]=4 5654 B13R0.66 CCCOC(=O)CSCCCCC=O 62a_100000139335_200011215008 [0,1,0,0,0,0|2,0,1]=4 5655 B13R0.66 CCCOC(=O)CSCCCCC=O 62a_200011215008_100000139335 [0,1,0,0,0,0|2,0,1]=4 5656 B13R0.66 CCCOC(C)CNCCCCC=O 2230a_100015185124_100000139335 [0,1,0,0,0,0|2,0,0]=3 5657 B13R0.66 CCOCC(C)OCCCCCC=O 7a_100000718985_100000139337 [0,1,0,0,0,0|2,0,0]=3 5658 B13R0.66 CCOCC(O)CNCCCCC=O 2230a_102515437182_100000139335 [0,1,0,0,0,0|2,0,0]=3 5659 B13R0.66 COCO[C@H](C)COCCCCC=O 7a_100016172286_100000139335 [0,1,0,0,0,0|3,0,0]=4 5660 B13R0.66 C[C@H](CCCO)CNCCCCC=O 2230a_100160569302_100000139335 [0,1,0,0,0,0|2,0,0]=3 5661 B13R0.147 C#CC(=O)CCCCCCCCCC 1458a_100000211873_100000210319 [0,1,0,0,0,0|1,0,2]=4 5662 B13R0.147 C#CC(C)NCCCCCCCCC 2230a_100000707721_100011214924 [0,1,0,0,0,0|2,0,1]=4 5663 B13R0.147 C#CC(C)NCCCCCCCCC 34a_100000212291_200000035995 [0,1,0,0,0,0|2,0,1]=4 5664 B13R0.147 C#CC(C)NCCCCCCCCC 34a_100000707721_100011214924 [0,1,0,0,0,0|2,0,1]=4 5665 B13R0.147 C#CC(C)OCCCCCCCCC 34a_100000210712_200000035995 [0,1,0,0,0,0|2,0,1]=4 5666 B13R0.147 C#CC(C)SCCCCCCCCC 62a_200000035995_100000210670 [0,1,0,0,0,0|2,0,1]=4 5667 B13R0.147 C#CC(O)CCCCCNCCCC 2230a_100000102301_200010408556 [0,1,0,0,0,0|2,0,1]=4 5668 B13R0.147 C#CC(O)CCCCCNCCCC 7a_106832991798_200010408556 [0,1,0,0,0,0|2,0,1]=4 5669 B13R0.147 C#CC(O)CCCCCOCCCC 34a_100000210227_200010408556 [0,1,0,0,0,0|2,0,1]=4 5670 B13R0.147 C#CC(O)CCCCCOCCCC 7a_100000210227_200010408556 [0,1,0,0,0,0|2,0,1]=4 5671 B13R0.147 C#CC(O)CCCCCSCCCC 62a_100000210211_200010408556 [0,1,0,0,0,0|2,0,1]=4 5672 B13R0.147 C#CC(O)CCCCCSCCCC 62a_200010408556_100000210210 [0,1,0,0,0,0|2,0,1]=4 5673 B13R0.147 C#CCCCCCCCCC(=O)CC 1458a_100000029693_100000210202 [0,1,0,0,0,0|1,0,2]=4 5674 B13R0.147 C#CCCCCCCCNC(C)CC 2230a_100000209981_100153394163 [0,1,0,0,0,0|2,0,1]=4 5675 B13R0.147 C#CCCCCCCCOC(C)CC 34a_100000054614_100011215416 [0,1,0,0,0,0|2,0,1]=4 5676 B13R0.147 C#CCCCCCCCOC(C)CC 7a_100000054614_100000758301 [0,1,0,0,0,0|2,0,1]=4 5677 B13R0.147 C#CCCCCCCCOC(C)CC 7a_100000210228_100153394163 [0,1,0,0,0,0|2,0,1]=4 5678 B13R0.147 C#CCCCCCCCSC(C)CC 62a_100000758301_100153394163 [0,1,0,0,0,0|2,0,1]=4 5679 B13R0.147 C#CCCCCCCCSC(C)CC 62a_100153394163_100000758301 [0,1,0,0,0,0|2,0,1]=4 5680 B13R0.147 C#CCCCCCCNCC(C)CC 2230a_100020588543_100012276617 [0,1,0,0,0,0|2,0,1]=4 5681 B13R0.147 C#CCCCCCCNCC(O)CC 2230a_100011218483_100012276617 [0,1,0,0,0,0|2,0,1]=4 5682 B13R0.147 C#CCCCCCCOCC(C)CC 34a_100011217361_100000748023 [0,1,0,0,0,0|2,0,1]=4 5683 B13R0.147 C#CCCCCCCOCC(C)CC 7a_100011217361_100000748023 [0,1,0,0,0,0|2,0,1]=4 5684 B13R0.147 C#CCCCCCCOCC(O)CC 34a_100011217361_100011218378 [0,1,0,0,0,0|2,0,1]=4 5685 B13R0.147 C#CCCCCCCOCC(O)CC 7a_100011217361_100011218378 [0,1,0,0,0,0|2,0,1]=4 5686 B13R0.147 C#CCCCCCCOC[C@@H](C)CC 34a_100011217361_100009816398 [0,1,0,0,0,0|2,0,1]=4 5687 B13R0.147 C#CCCCCCCOC[C@@H](C)CC 7a_100009816381_100012276617 [0,1,0,0,0,0|2,0,1]=4 5688 B13R0.147 C#CCCCCCCOC[C@@H](C)CC 7a_100011217361_100009816398 [0,1,0,0,0,0|2,0,1]=4 5689 B13R0.147 C#CCCCCCCSCC(C)CC 62a_100000748023_100012276617 [0,1,0,0,0,0|2,0,1]=4 5690 B13R0.147 C#CCCCCCCSCC(C)CC 62a_100012276617_100000748023 [0,1,0,0,0,0|2,0,1]=4 5691 B13R0.147 C#CCCCCCCSCC(O)CC 62a_100011218378_100012276617 [0,1,0,0,0,0|2,0,1]=4 5692 B13R0.147 C#CCCCCCCSCC(O)CC 62a_100012276617_100011218378 [0,1,0,0,0,0|2,0,1]=4 5693 B13R0.147 C#CCCCCCCSC[C@@H](C)CC 62a_100009816398_100012276617 [0,1,0,0,0,0|2,0,1]=4 5694 B13R0.147 C#CCCCCCCSC[C@@H](C)CC 62a_100012276617_100009816398 [0,1,0,0,0,0|2,0,1]=4 5695 B13R0.147 C#CCCCCCNCCC(C)CC 2230a_100020591266_100012094781 [0,1,0,0,0,0|2,0,1]=4 5696 B13R0.147 C#CCCCCCOCCC(C)CC 7a_100011215188_100012094781 [0,1,0,0,0,0|2,0,1]=4 5697 B13R0.147 C#CCCCCOCCCC(C)CC 7a_100011216074_100010269958 [0,1,0,0,0,0|2,0,1]=4 5698 B13R0.147 C#CCCOCCCCCC(C)CC 7a_200000035636_100000688953 [0,1,0,0,0,0|2,0,1]=4 5699 B13R0.147 C#C[C@@H](C)OCCCCCCCCC 34a_100009815206_100011214924 [0,1,0,0,0,0|2,0,1]=4 5700 B13R0.147 C#C[C@@H](C)OCCCCCCCCC 7a_100009815206_100000210328 [0,1,0,0,0,0|2,0,1]=4 5701 B13R0.147 C/C=C/COCCCCCC(C)CC 7a_200000035636_100102629194 [0,1,0,0,0,0|2,0,1]=4 5702 B13R0.147 C=CC(=O)CCCCCCCCCC 1458a_100000185746_100000210319 [0,1,0,0,0,0|1,0,1]=3 5703 B13R0.147 C=CC(=O)CCCCCCCCCO 1458a_100000185746_100009813782 [0,1,0,0,0,0|2,0,1]=4 5704 B13R0.147 C=CC(=O)NCCCCCCCCC 1626a_100000212291_100000185746 [0,1,0,0,0,0|2,0,1]=4 5705 B13R0.147 C=CC(=O)NCCCCCCCCC 240690a_100000212291_200121576911 [0,1,0,0,0,0|2,0,1]=4 5706 B13R0.147 C=CC(C)COCCCCCCCC 34a_100011215527_100000210759 [0,1,0,0,0,0|2,0,0]=3 5707 B13R0.147 C=CC(C)COCCCCCCCC 7a_100011215527_100000210759 [0,1,0,0,0,0|2,0,0]=3 5708 B13R0.147 C=CC(C)COCCCCCCCO 34a_100011215527_100000760002 [0,1,0,0,0,0|3,0,0]=4 5709 B13R0.147 C=CC(C)COCCCCCCCO 7a_100011215527_100000760002 [0,1,0,0,0,0|3,0,0]=4 5710 B13R0.147 C=CC(C)COCCCCCCOC 34a_100011215527_100011998445 [0,1,0,0,0,0|3,0,0]=4 5711 B13R0.147 C=CC(C)COCCCCCCOC 7a_100011215527_100011998445 [0,1,0,0,0,0|3,0,0]=4 5712 B13R0.147 C=CC(C)OCCCCCCCCC 34a_100000695699_100011214924 [0,1,0,0,0,0|2,0,0]=3 5713 B13R0.147 C=CC(C)OCCCCCCCCO 34a_100000695699_100000033203 [0,1,0,0,0,0|3,0,0]=4 5714 B13R0.147 C=CC(C)SCCCCCCCCC 62a_100011215867_100000210670 [0,1,0,0,0,0|2,0,0]=3 5715 B13R0.147 C=CC(C)SCCCCCCCCO 62a_100011215867_100000033203 [0,1,0,0,0,0|3,0,0]=4 5716 B13R0.147 C=CC(O)CNCCCCCCCC 2230a_100000229939_100000730141 [0,1,0,0,0,0|2,0,0]=3 5717 B13R0.147 C=CC(O)CNCCCCCCCC 34a_100000229939_100000730141 [0,1,0,0,0,0|2,0,0]=3 5718 B13R0.147 C=CC(O)CNCCCCCCCO 2230a_100011996573_100000730141 [0,1,0,0,0,0|3,0,0]=4 5719 B13R0.147 C=CC(O)CNCCCCCCCO 34a_100011996573_100000730141 [0,1,0,0,0,0|3,0,0]=4 5720 B13R0.147 C=CC(O)CNCCCOCCCC 2230a_200000211371_100000730141 [0,1,0,0,0,0|3,0,0]=4 5721 B13R0.147 C=CC(O)CNCCCOCCCC 34a_200000211371_100000730141 [0,1,0,0,0,0|3,0,0]=4 5722 B13R0.147 C=CC(O)COCCCCCCCBr 34a_100000760002_100000730141 [0,1,0,0,0,0|3,0,0]=4 5723 B13R0.147 C=CC(O)COCCCCCCCBr 7a_100000760002_100000730141 [0,1,0,0,0,0|3,0,0]=4 5724 B13R0.147 C=CC(O)COCCCCCCCC 34a_100000210232_100000730141 [0,1,0,0,0,0|2,0,0]=3 5725 B13R0.147 C=CC(O)COCCCCCCCC 7a_100000210232_100000730141 [0,1,0,0,0,0|2,0,0]=3 5726 B13R0.147 C=CC(O)COCCCCCCCN 34a_100011996573_100000730141 [0,1,0,0,0,0|3,0,0]=4 5727 B13R0.147 C=CC(O)COCCCCCCOC 34a_200012092642_100000730141 [0,1,0,0,0,0|3,0,0]=4 5728 B13R0.147 C=CC(O)COCCCCCCOC 7a_200012092642_100000730141 [0,1,0,0,0,0|3,0,0]=4 5729 B13R0.147 C=CC(O)COCCCOCCCC 34a_200011215613_100000730141 [0,1,0,0,0,0|3,0,0]=4 5730 B13R0.147 C=CC(O)COCCCOCCCC 7a_200011215613_100000730141 [0,1,0,0,0,0|3,0,0]=4 5731 B13R0.147 C=CC(O)COCCNCCCCC 34a_100000224656_100000730141 [0,1,0,0,0,0|3,0,0]=4 5732 B13R0.147 C=CC(O)COCCOCCCCC 34a_100011215259_100000730141 [0,1,0,0,0,0|3,0,0]=4 5733 B13R0.147 C=CC(O)COCCOCCCCC 7a_100011215259_100000730141 [0,1,0,0,0,0|3,0,0]=4 5734 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000210759_100000730141 [0,1,0,0,0,0|2,0,0]=3 5735 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000730141_100000210317 [0,1,0,0,0,0|2,0,0]=3 5736 B13R0.147 C=CC(O)CSCCCCCCCO 62a_100000730141_100000760002 [0,1,0,0,0,0|3,0,0]=4 5737 B13R0.147 C=CC(O)CSCCCCCCCO 62a_100000760002_100000730141 [0,1,0,0,0,0|3,0,0]=4 5738 B13R0.147 C=CC(O)CSCCCCCCOC 62a_100000730141_100011998445 [0,1,0,0,0,0|3,0,0]=4 5739 B13R0.147 C=CC(O)CSCCCCCCOC 62a_100011998445_100000730141 [0,1,0,0,0,0|3,0,0]=4 5740 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000210414_100011933949 [0,1,0,0,0,0|1,0,1]=3 5741 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000211349_100000210202 [0,1,0,0,0,0|1,0,1]=3 5742 B13R0.147 C=CCCCCCCCCC(=O)CF 1458a_100000211349_100015361967 [0,1,0,0,0,0|2,0,1]=4 5743 B13R0.147 C=CCCCCCCCCC(=O)CO 1458a_100000210174_100011933949 [0,1,0,0,0,0|2,0,1]=4 5744 B13R0.147 C=CCCCCCCCCC(=O)NC 11a_106832991635_100000211349 [0,1,0,0,0,0|2,0,1]=4 5745 B13R0.147 C=CCCCCCCCCC(=O)NC 1626a_100102657272_100000211349 [0,1,0,0,0,0|2,0,1]=4 5746 B13R0.147 C=CCCCCCCCCC(=O)NC 240690a_100102657272_100000211349 [0,1,0,0,0,0|2,0,1]=4 5747 B13R0.147 C=CCCCCCCCCC(=O)NC 527a_100102657272_100000211349 [0,1,0,0,0,0|2,0,1]=4 5748 B13R0.147 C=CCCCCCCCCN(C)CC 2230a_100000225621_100011933949 [0,1,0,0,0,0|2,0,0]=3 5749 B13R0.147 C=CCCCCCCCCN(C)CC 269982a_100000225621_100011933949 [0,1,0,0,0,0|2,0,0]=3 5750 B13R0.147 C=CCCCCCCCNC(C)CC 2230a_100000209981_100012355270 [0,1,0,0,0,0|2,0,0]=3 5751 B13R0.147 C=CCCCCCCCN[C@H](C)CO 2230a_100000737577_100012355270 [0,1,0,0,0,0|3,0,0]=4 5752 B13R0.147 C=CCCCCCCCOC(C)CC 34a_100000730831_100011215416 [0,1,0,0,0,0|2,0,0]=3 5753 B13R0.147 C=CCCCCCCCOC(C)CC 7a_100000210228_100012355270 [0,1,0,0,0,0|2,0,0]=3 5754 B13R0.147 C=CCCCCCCCOC(C)CC 7a_100000730831_100000758301 [0,1,0,0,0,0|2,0,0]=3 5755 B13R0.147 C=CCCCCCCCOC(C)CF 34a_100016041109_100012355270 [0,1,0,0,0,0|3,0,0]=4 5756 B13R0.147 C=CCCCCCCCOC(C)CF 7a_100016041109_100012355270 [0,1,0,0,0,0|3,0,0]=4 5757 B13R0.147 C=CCCCCCCCOC(C)CN 34a_100000210904_100012355270 [0,1,0,0,0,0|3,0,0]=4 5758 B13R0.147 C=CCCCCCCCOC(C)CO 34a_100000730831_100012180447 [0,1,0,0,0,0|3,0,0]=4 5759 B13R0.147 C=CCCCCCCCOC(C)CO 7a_100000730831_100012180447 [0,1,0,0,0,0|3,0,0]=4 5760 B13R0.147 C=CCCCCCCCSC(C)CC 62a_100000758301_100012355270 [0,1,0,0,0,0|2,0,0]=3 5761 B13R0.147 C=CCCCCCCCSC(C)CC 62a_100012355270_100000758301 [0,1,0,0,0,0|2,0,0]=3 5762 B13R0.147 C=CCCCCCCCSC(C)CO 62a_100012180447_100012355270 [0,1,0,0,0,0|3,0,0]=4 5763 B13R0.147 C=CCCCCCCCSC(C)OC 62a_100009879195_100012355270 [0,1,0,0,0,0|3,0,0]=4 5764 B13R0.147 C=CCCCCCCCSC(C)OC 62a_100012355270_100009879195 [0,1,0,0,0,0|3,0,0]=4 5765 B13R0.147 C=CCCCCCCCS[C@H](C)CO 62a_100012355270_100016084084 [0,1,0,0,0,0|3,0,0]=4 5766 B13R0.147 C=CCCCCCCCS[C@H](C)CO 62a_100016084084_100012355270 [0,1,0,0,0,0|3,0,0]=4 5767 B13R0.147 C=CCCCCCCNCC(C)CC 2230a_100020588543_100011215473 [0,1,0,0,0,0|2,0,0]=3 5768 B13R0.147 C=CCCCCCCNCC(C)CO 34a_100000744482_100011215473 [0,1,0,0,0,0|3,0,0]=4 5769 B13R0.147 C=CCCCCCCNCC(O)CC 2230a_100011218483_100011215473 [0,1,0,0,0,0|2,0,0]=3 5770 B13R0.147 C=CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011215473 [0,1,0,0,0,0|3,0,0]=4 5771 B13R0.147 C=CCCCCCCNC[C@@H](F)CO 34a_100015665980_100011215473 [0,1,0,0,0,0|3,0,0]=4 5772 B13R0.147 C=CCCCCCCNC[C@H](O)CO 2230a_100020644852_100011215473 [0,1,0,0,0,0|3,0,0]=4 5773 B13R0.147 C=CCCCCCCOCC(=O)CC 34a_100000725409_100011215473 [0,1,0,0,0,0|2,0,1]=4 5774 B13R0.147 C=CCCCCCCOCC(=O)CC 7a_200011216477_100000747405 [0,1,0,0,0,0|2,0,1]=4 5775 B13R0.147 C=CCCCCCCOCC(C)CC 34a_200011216477_100000748023 [0,1,0,0,0,0|2,0,0]=3 5776 B13R0.147 C=CCCCCCCOCC(C)CC 7a_200011216477_100000748023 [0,1,0,0,0,0|2,0,0]=3 5777 B13R0.147 C=CCCCCCCOCC(C)CN 34a_100000744482_100011215473 [0,1,0,0,0,0|3,0,0]=4 5778 B13R0.147 C=CCCCCCCOCC(C)OC 34a_100000690652_100011215473 [0,1,0,0,0,0|3,0,0]=4 5779 B13R0.147 C=CCCCCCCOCC(Cl)CCl 34a_100000033668_100011215473 [0,1,0,0,0,0|3,0,0]=4 5780 B13R0.147 C=CCCCCCCOCC(O)CC 34a_200011216477_100011218378 [0,1,0,0,0,0|2,0,0]=3 5781 B13R0.147 C=CCCCCCCOCC(O)CC 7a_200011216477_100011218378 [0,1,0,0,0,0|2,0,0]=3 5782 B13R0.147 C=CCCCCCCOCC(O)CO 34a_200011216477_100011219619 [0,1,0,0,0,0|3,0,0]=4 5783 B13R0.147 C=CCCCCCCOCC(O)CO 7a_200011216477_100011219619 [0,1,0,0,0,0|3,0,0]=4 5784 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 34a_200011216477_100009816398 [0,1,0,0,0,0|2,0,0]=3 5785 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 7a_100009816381_100011215473 [0,1,0,0,0,0|2,0,0]=3 5786 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 7a_200011216477_100009816398 [0,1,0,0,0,0|2,0,0]=3 5787 B13R0.147 C=CCCCCCCOC[C@@H](C)CO 34a_200011216477_100000059175 [0,1,0,0,0,0|3,0,0]=4 5788 B13R0.147 C=CCCCCCCOC[C@@H](C)CO 7a_200011216477_100000059175 [0,1,0,0,0,0|3,0,0]=4 5789 B13R0.147 C=CCCCCCCOC[C@@H](O)CF 34a_200011216477_100015614560 [0,1,0,0,0,0|3,0,0]=4 5790 B13R0.147 C=CCCCCCCOC[C@@H](O)CF 7a_200011216477_100015614560 [0,1,0,0,0,0|3,0,0]=4 5791 B13R0.147 C=CCCCCCCOC[C@@H](O)CO 34a_200011216477_100009815848 [0,1,0,0,0,0|3,0,0]=4 5792 B13R0.147 C=CCCCCCCOC[C@@H](O)CO 7a_200011216477_100009815848 [0,1,0,0,0,0|3,0,0]=4 5793 B13R0.147 C=CCCCCCCOC[C@H](F)CN 34a_100015665980_100011215473 [0,1,0,0,0,0|3,0,0]=4 5794 B13R0.147 C=CCCCCCCSCC(=O)CC 62a_100000747405_100011215473 [0,1,0,0,0,0|2,0,1]=4 5795 B13R0.147 C=CCCCCCCSCC(=O)CC 62a_100011215473_100000747405 [0,1,0,0,0,0|2,0,1]=4 5796 B13R0.147 C=CCCCCCCSCC(C)CC 62a_100000748023_100011215473 [0,1,0,0,0,0|2,0,0]=3 5797 B13R0.147 C=CCCCCCCSCC(C)CC 62a_100011215473_100000748023 [0,1,0,0,0,0|2,0,0]=3 5798 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011215473_100011218378 [0,1,0,0,0,0|2,0,0]=3 5799 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011218378_100011215473 [0,1,0,0,0,0|2,0,0]=3 5800 B13R0.147 C=CCCCCCCSCC(O)CO 62a_100011215473_100011219619 [0,1,0,0,0,0|3,0,0]=4 5801 B13R0.147 C=CCCCCCCSCC(O)CO 62a_100011219619_100011215473 [0,1,0,0,0,0|3,0,0]=4 5802 B13R0.147 C=CCCCCCCSC[C@@H](C)CC 62a_100009816398_100011215473 [0,1,0,0,0,0|2,0,0]=3 5803 B13R0.147 C=CCCCCCCSC[C@@H](C)CC 62a_100011215473_100009816398 [0,1,0,0,0,0|2,0,0]=3 5804 B13R0.147 C=CCCCCCCSC[C@@H](C)CO 62a_100000059175_100011215473 [0,1,0,0,0,0|3,0,0]=4 5805 B13R0.147 C=CCCCCCCSC[C@@H](C)CO 62a_100011215473_100000059175 [0,1,0,0,0,0|3,0,0]=4 5806 B13R0.147 C=CCCCCCCSC[C@@H](O)CF 62a_100011215473_100015614560 [0,1,0,0,0,0|3,0,0]=4 5807 B13R0.147 C=CCCCCCCSC[C@@H](O)CF 62a_100015614560_100011215473 [0,1,0,0,0,0|3,0,0]=4 5808 B13R0.147 C=CCCCCCCSC[C@@H](O)CO 62a_100009815848_100011215473 [0,1,0,0,0,0|3,0,0]=4 5809 B13R0.147 C=CCCCCCCSC[C@@H](O)CO 62a_100011215473_100009815848 [0,1,0,0,0,0|3,0,0]=4 5810 B13R0.147 C=CCCCCCNCCC(C)CC 2230a_100020591266_100000700193 [0,1,0,0,0,0|2,0,0]=3 5811 B13R0.147 C=CCCCCCNCCC(C)CO 2230a_106354213184_100000700193 [0,1,0,0,0,0|3,0,0]=4 5812 B13R0.147 C=CCCCCCNCCC(C)CO 34a_106354213184_100000700193 [0,1,0,0,0,0|3,0,0]=4 5813 B13R0.147 C=CCCCCCOCCC(C)CC 7a_100011215188_100000700193 [0,1,0,0,0,0|2,0,0]=3 5814 B13R0.147 C=CCCCCCOCCC(C)OC 7a_100000764861_100000700193 [0,1,0,0,0,0|3,0,0]=4 5815 B13R0.147 C=CCCCCNCCCN(C)CC 2230a_100000703577_100015186262 [0,1,0,0,0,0|3,0,0]=4 5816 B13R0.147 C=CCCCCOCCCC(C)CC 7a_100011216074_100011215482 [0,1,0,0,0,0|2,0,0]=3 5817 B13R0.147 C=CCCCCOCCCN(C)CC 7a_100000766645_100015186262 [0,1,0,0,0,0|3,0,0]=4 5818 B13R0.147 C=CCCCCOCCC[C@@H](C)CN 34a_100160569302_100011215482 [0,1,0,0,0,0|3,0,0]=4 5819 B13R0.147 C=CCCCCSCCCN(C)CC 62a_100011215482_100015186262 [0,1,0,0,0,0|3,0,0]=4 5820 B13R0.147 C=CCCOCCCCCC(C)CC 7a_200000035636_100000754431 [0,1,0,0,0,0|2,0,0]=3 5821 B13R0.147 C=C[C@H](N)COCCCCCCCC 34a_100016989147_100000210759 [0,1,0,0,0,0|2,0,0]=3 5822 B13R0.147 C=C[C@H](N)COCCCCCCCO 34a_100016989147_100000760002 [0,1,0,0,0,0|3,0,0]=4 5823 B13R0.147 C=C[C@H](N)COCCCCCCOC 34a_100016989147_100011998445 [0,1,0,0,0,0|3,0,0]=4 5824 B13R0.147 CC(CO)CCNCCCCCC=O 2230a_106354213184_100000139337 [0,1,0,0,0,0|2,0,0]=3 5825 B13R0.147 CC=CCOCCCCCC(C)CC 7a_200000035636_100000070051 [0,1,0,0,0,0|2,0,1]=4 5826 B13R0.147 CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210202 [0,1,0,0,0,0|1,0,2]=4 5827 B13R0.147 CCC(=O)CCCCCCCCCO 1458a_100000210414_100009813782 [0,1,0,0,0,0|0,0,3]=4 5828 B13R0.147 CCC(=O)NCCOCCCCC=O 7a_200000158885_100000139335 [0,1,0,0,0,0|2,0,1]=4 5829 B13R0.147 CCC(=O)OCCOCCCCC=O 7a_200000031056_100000139335 [0,1,0,0,0,0|2,0,1]=4 5830 B13R0.147 CCC(C)CCCCCOCCC#N 7a_200000035636_100000184422 [0,1,0,0,0,0|2,0,1]=4 5831 B13R0.147 CCC(C)CCCCCOCCCF 7a_200000035636_100011934791 [0,1,0,0,0,0|2,0,1]=4 5832 B13R0.147 CCC(C)CCCCCOCCCO 7a_200000035636_100011215043 [0,1,0,0,0,0|1,0,2]=4 5833 B13R0.147 CCC(C)CCCCCOCCOC 7a_200000035636_100000233755 [0,1,0,0,0,0|3,0,0]=4 5834 B13R0.147 CCC(C)CCCCCOCCSC 7a_200000035636_100000212216 [0,1,0,0,0,0|3,0,0]=4 5835 B13R0.147 CCC(C)CCCOCCCCC#N 7a_100011216074_100000211819 [0,1,0,0,0,0|2,0,1]=4 5836 B13R0.147 CCC(C)CCCOCCCCC=O 7a_100011216074_100000139335 [0,1,0,0,0,0|1,0,0]=2 5837 B13R0.147 CCC(C)CCCOCCCCCF 7a_100011216074_100000729378 [0,1,0,0,0,0|2,0,1]=4 5838 B13R0.147 CCC(C)CCCOCCCCCO 7a_100011216074_100000746330 [0,1,0,0,0,0|1,0,2]=4 5839 B13R0.147 CCC(C)CCCOCCCCOC 7a_100011216074_100000730899 [0,1,0,0,0,0|3,0,0]=4 5840 B13R0.147 CCC(C)CCNCCCCCC#N 2230a_100020591266_100009813376 [0,1,0,0,0,0|2,0,1]=4 5841 B13R0.147 CCC(C)CCNCCCCCC=O 2230a_100020591266_100000139337 [0,1,0,0,0,0|1,0,0]=2 5842 B13R0.147 CCC(C)CCNCCCCCCF 2230a_100020591266_100015922095 [0,1,0,0,0,0|2,0,1]=4 5843 B13R0.147 CCC(C)CCNCCCCCCO 2230a_100020591266_100000766143 [0,1,0,0,0,0|1,0,2]=4 5844 B13R0.147 CCC(C)CCOCCCCCC#N 7a_100011215188_100009813376 [0,1,0,0,0,0|2,0,1]=4 5845 B13R0.147 CCC(C)CCOCCCCCC=O 7a_100011215188_100000139337 [0,1,0,0,0,0|1,0,0]=2 5846 B13R0.147 CCC(C)CCOCCCCCCF 7a_100011215188_100015922095 [0,1,0,0,0,0|2,0,1]=4 5847 B13R0.147 CCC(C)CCOCCCCCCO 7a_100011215188_100000766143 [0,1,0,0,0,0|1,0,2]=4 5848 B13R0.147 CCC(C)CNCCCCCCC#N 2230a_100020588543_100009813337 [0,1,0,0,0,0|2,0,1]=4 5849 B13R0.147 CCC(C)CNCCCCCCCO 2230a_100011996573_100000748023 [0,1,0,0,0,0|1,0,2]=4 5850 B13R0.147 CCC(C)CNCCCCCCCO 2230a_100020588543_100000760002 [0,1,0,0,0,0|1,0,2]=4 5851 B13R0.147 CCC(C)CNCCCCCCCO 270004a_100011996573_100000243153 [0,1,0,0,0,0|1,0,2]=4 5852 B13R0.147 CCC(C)CNCCCCCCCO 34a_100011996573_100000748023 [0,1,0,0,0,0|1,0,2]=4 5853 B13R0.147 CCC(C)CNCCCCCCOC 2230a_100020588543_100011998445 [0,1,0,0,0,0|3,0,0]=4 5854 B13R0.147 CCC(C)COCCCCCCCBr 34a_100000760002_100000748023 [0,1,0,0,0,0|2,0,1]=4 5855 B13R0.147 CCC(C)COCCCCCCCBr 7a_100000760002_100000748023 [0,1,0,0,0,0|2,0,1]=4 5856 B13R0.147 CCC(C)COCCCCCCCN 34a_100011996573_100000748023 [0,1,0,0,0,0|2,0,1]=4 5857 B13R0.147 CCC(C)COCCCCCCOC 34a_200012092642_100000748023 [0,1,0,0,0,0|3,0,0]=4 5858 B13R0.147 CCC(C)COCCCCCCOC 7a_200012092642_100000748023 [0,1,0,0,0,0|3,0,0]=4 5859 B13R0.147 CCC(C)CSCCCCCCC#N 62a_100000748023_100009813337 [0,1,0,0,0,0|2,0,1]=4 5860 B13R0.147 CCC(C)CSCCCCCCC#N 62a_100009813337_100000748023 [0,1,0,0,0,0|2,0,1]=4 5861 B13R0.147 CCC(C)CSCCCCCCCO 62a_100000748023_100000760002 [0,1,0,0,0,0|1,0,2]=4 5862 B13R0.147 CCC(C)CSCCCCCCCO 62a_100000760002_100000748023 [0,1,0,0,0,0|1,0,2]=4 5863 B13R0.147 CCC(C)CSCCCCCCOC 62a_100000748023_100011998445 [0,1,0,0,0,0|3,0,0]=4 5864 B13R0.147 CCC(C)CSCCCCCCOC 62a_100011998445_100000748023 [0,1,0,0,0,0|3,0,0]=4 5865 B13R0.147 CCC(C)NCCCCCCCCO 2230a_100000209981_100000033203 [0,1,0,0,0,0|1,0,2]=4 5866 B13R0.147 CCC(C)NCCCCCCCCO 2230a_102515433106_100000758301 [0,1,0,0,0,0|1,0,2]=4 5867 B13R0.147 CCC(C)NCCCCCCCCO 34a_102515433106_100011215416 [0,1,0,0,0,0|1,0,2]=4 5868 B13R0.147 CCC(C)OCCCCCCCCBr 34a_100009813846_100011215416 [0,1,0,0,0,0|2,0,1]=4 5869 B13R0.147 CCC(C)OCCCCCCCCBr 7a_100009813846_100000758301 [0,1,0,0,0,0|2,0,1]=4 5870 B13R0.147 CCC(C)OCCCCCCCCCl 34a_100000033203_100011215416 [0,1,0,0,0,0|2,0,1]=4 5871 B13R0.147 CCC(C)OCCCCCCCCCl 7a_100000033203_100000758301 [0,1,0,0,0,0|2,0,1]=4 5872 B13R0.147 CCC(C)OCCCCCCCCN 34a_102515433106_100011215416 [0,1,0,0,0,0|2,0,1]=4 5873 B13R0.147 CCC(C)OCCCCCCCCO 7a_100000210228_100000033203 [0,1,0,0,0,0|1,0,2]=4 5874 B13R0.147 CCC(C)SCCCCCCCCO 62a_100000033203_100000758301 [0,1,0,0,0,0|1,0,2]=4 5875 B13R0.147 CCC(C)SCCCCCCCCO 62a_100000758301_100000033203 [0,1,0,0,0,0|1,0,2]=4 5876 B13R0.147 CCC(O)CNCCCCCCC#N 2230a_100011218483_100009813337 [0,1,0,0,0,0|2,0,1]=4 5877 B13R0.147 CCC(O)CNCCCCCCCO 2230a_100011218483_100000760002 [0,1,0,0,0,0|1,0,2]=4 5878 B13R0.147 CCC(O)CNCCCCCCCO 2230a_100011996573_100011218378 [0,1,0,0,0,0|1,0,2]=4 5879 B13R0.147 CCC(O)CNCCCCCCCO 34a_100011996573_100011218378 [0,1,0,0,0,0|1,0,2]=4 5880 B13R0.147 CCC(O)CNCCCCCCOC 2230a_100011218483_100011998445 [0,1,0,0,0,0|3,0,0]=4 5881 B13R0.147 CCC(O)COCCCCCCCBr 34a_100000760002_100011218378 [0,1,0,0,0,0|2,0,1]=4 5882 B13R0.147 CCC(O)COCCCCCCCBr 7a_100000760002_100011218378 [0,1,0,0,0,0|2,0,1]=4 5883 B13R0.147 CCC(O)COCCCCCCCN 34a_100011996573_100011218378 [0,1,0,0,0,0|2,0,1]=4 5884 B13R0.147 CCC(O)COCCCCCCOC 34a_200012092642_100011218378 [0,1,0,0,0,0|3,0,0]=4 5885 B13R0.147 CCC(O)COCCCCCCOC 7a_200012092642_100011218378 [0,1,0,0,0,0|3,0,0]=4 5886 B13R0.147 CCC(O)CSCCCCCCC#N 62a_100009813337_100011218378 [0,1,0,0,0,0|2,0,1]=4 5887 B13R0.147 CCC(O)CSCCCCCCC#N 62a_100011218378_100009813337 [0,1,0,0,0,0|2,0,1]=4 5888 B13R0.147 CCC(O)CSCCCCCCCO 62a_100000760002_100011218378 [0,1,0,0,0,0|1,0,2]=4 5889 B13R0.147 CCC(O)CSCCCCCCCO 62a_100011218378_100000760002 [0,1,0,0,0,0|1,0,2]=4 5890 B13R0.147 CCC(O)CSCCCCCCOC 62a_100011218378_100011998445 [0,1,0,0,0,0|3,0,0]=4 5891 B13R0.147 CCC(O)CSCCCCCCOC 62a_100011998445_100011218378 [0,1,0,0,0,0|3,0,0]=4 5892 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210375_100000210202 [0,1,0,0,0,0|1,0,2]=4 5893 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210414_100000210319 [0,1,0,0,0,0|1,0,2]=4 5894 B13R0.147 CCCCCCCCCCC(=O)CF 1458a_100000210375_100015361967 [0,1,0,0,0,0|1,0,2]=4 5895 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [0,1,0,0,0,0|0,0,3]=4 5896 B13R0.147 CCCCCCCCCCC(=O)NC 11a_106832991635_100000210375 [0,1,0,0,0,0|2,0,1]=4 5897 B13R0.147 CCCCCCCCCCC(=O)NC 1626a_100102657272_100000210375 [0,1,0,0,0,0|2,0,1]=4 5898 B13R0.147 CCCCCCCCCCC(=O)NC 240690a_100102657272_100000210375 [0,1,0,0,0,0|2,0,1]=4 5899 B13R0.147 CCCCCCCCCCC(C)NC 270004a_106832991635_200011219864 [0,1,0,0,0,0|2,0,0]=3 5900 B13R0.147 CCCCCCCCCCC(C)OC 34a_100011215000_200000210301 [0,1,0,0,0,0|2,0,0]=3 5901 B13R0.147 CCCCCCCCCCC(C)OC 7a_100011215000_200000210301 [0,1,0,0,0,0|2,0,0]=3 5902 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 34a_100011215000_200025704644 [0,1,0,0,0,0|2,0,0]=3 5903 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 7a_100011215000_200025704644 [0,1,0,0,0,0|2,0,0]=3 5904 B13R0.147 CCCCCCCCCCN(C)CC 2230a_100000207566_100000210202 [0,1,0,0,0,0|2,0,1]=4 5905 B13R0.147 CCCCCCCCCCN(C)CC 2230a_100000225621_100000210320 [0,1,0,0,0,0|2,0,1]=4 5906 B13R0.147 CCCCCCCCCCN(C)CC 269982a_100000207566_100000204670 [0,1,0,0,0,0|2,0,1]=4 5907 B13R0.147 CCCCCCCCCCN(C)CC 269982a_100000225621_100000210320 [0,1,0,0,0,0|2,0,1]=4 5908 B13R0.147 CCCCCCCCCCN(C)CF 269982a_100000207566_100015361967 [0,1,0,0,0,0|2,0,1]=4 5909 B13R0.147 CCCCCCCCCNC(C)C#N 2230a_100000212291_100000184139 [0,1,0,0,0,0|2,0,1]=4 5910 B13R0.147 CCCCCCCCCNC(C)C#N 2230a_100000737613_100011214924 [0,1,0,0,0,0|2,0,1]=4 5911 B13R0.147 CCCCCCCCCNC(C)CC 2230a_100000209981_100011214924 [0,1,0,0,0,0|2,0,1]=4 5912 B13R0.147 CCCCCCCCCNC(C)CC 2230a_100000212291_100000758301 [0,1,0,0,0,0|2,0,1]=4 5913 B13R0.147 CCCCCCCCCNC(C)CC 34a_100000212291_100011215416 [0,1,0,0,0,0|2,0,1]=4 5914 B13R0.147 CCCCCCCCCNC(C)CO 2230a_100000212291_100012180447 [0,1,0,0,0,0|1,0,2]=4 5915 B13R0.147 CCCCCCCCCNC(C)CO 34a_100000212291_100012180447 [0,1,0,0,0,0|1,0,2]=4 5916 B13R0.147 CCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011214924 [0,1,0,0,0,0|1,0,2]=4 5917 B13R0.147 CCCCCCCCCOC(C)C#N 34a_100011218135_100011214924 [0,1,0,0,0,0|2,0,1]=4 5918 B13R0.147 CCCCCCCCCOC(C)C#N 7a_100000210712_100000703298 [0,1,0,0,0,0|2,0,1]=4 5919 B13R0.147 CCCCCCCCCOC(C)CC 34a_100000210712_100011215416 [0,1,0,0,0,0|2,0,1]=4 5920 B13R0.147 CCCCCCCCCOC(C)CC 7a_100000210228_100000210328 [0,1,0,0,0,0|2,0,1]=4 5921 B13R0.147 CCCCCCCCCOC(C)CC 7a_100000210712_100000758301 [0,1,0,0,0,0|2,0,1]=4 5922 B13R0.147 CCCCCCCCCOC(C)CF 34a_100016041109_100011214924 [0,1,0,0,0,0|2,0,1]=4 5923 B13R0.147 CCCCCCCCCOC(C)CF 7a_100016041109_100000210328 [0,1,0,0,0,0|2,0,1]=4 5924 B13R0.147 CCCCCCCCCOC(C)CN 34a_100000210904_100011214924 [0,1,0,0,0,0|2,0,1]=4 5925 B13R0.147 CCCCCCCCCOC(C)CO 34a_100000210712_100012180447 [0,1,0,0,0,0|1,0,2]=4 5926 B13R0.147 CCCCCCCCCOC(C)CO 7a_100000210712_100012180447 [0,1,0,0,0,0|1,0,2]=4 5927 B13R0.147 CCCCCCCCCSC(C)C#N 62a_100000703298_100000210670 [0,1,0,0,0,0|2,0,1]=4 5928 B13R0.147 CCCCCCCCCSC(C)CC 62a_100000758301_100000210670 [0,1,0,0,0,0|2,0,1]=4 5929 B13R0.147 CCCCCCCCCSC(C)CO 62a_100012180447_100000210670 [0,1,0,0,0,0|1,0,2]=4 5930 B13R0.147 CCCCCCCCCSC(C)OC 62a_100009879195_100000210670 [0,1,0,0,0,0|3,0,0]=4 5931 B13R0.147 CCCCCCCCCSC(F)C#N 62a_200000117898_100000210670 [0,1,0,0,0,0|2,0,1]=4 5932 B13R0.147 CCCCCCCCCS[C@H](C)CO 62a_100016084084_100000210670 [0,1,0,0,0,0|1,0,2]=4 5933 B13R0.147 CCCCCCCCNCC(C)CC 2230a_100000229939_100000748023 [0,1,0,0,0,0|2,0,1]=4 5934 B13R0.147 CCCCCCCCNCC(C)CC 2230a_100020588543_100000210759 [0,1,0,0,0,0|2,0,1]=4 5935 B13R0.147 CCCCCCCCNCC(C)CC 270004a_100000229939_100000243153 [0,1,0,0,0,0|2,0,1]=4 5936 B13R0.147 CCCCCCCCNCC(C)CC 34a_100000229939_100000748023 [0,1,0,0,0,0|2,0,1]=4 5937 B13R0.147 CCCCCCCCNCC(C)CO 34a_100000744482_100000210759 [0,1,0,0,0,0|1,0,2]=4 5938 B13R0.147 CCCCCCCCNCC(O)CC 2230a_100000229939_100011218378 [0,1,0,0,0,0|2,0,1]=4 5939 B13R0.147 CCCCCCCCNCC(O)CC 2230a_100011218483_100000210759 [0,1,0,0,0,0|2,0,1]=4 5940 B13R0.147 CCCCCCCCNCC(O)CC 34a_100000229939_100011218378 [0,1,0,0,0,0|2,0,1]=4 5941 B13R0.147 CCCCCCCCNCC(O)CO 2230a_100000229939_100011219619 [0,1,0,0,0,0|1,0,2]=4 5942 B13R0.147 CCCCCCCCNCC(O)CO 34a_100000229939_100011219619 [0,1,0,0,0,0|1,0,2]=4 5943 B13R0.147 CCCCCCCCNC[C@@H](C)CC 2230a_100000229939_100009816398 [0,1,0,0,0,0|2,0,1]=4 5944 B13R0.147 CCCCCCCCNC[C@@H](C)CC 34a_100000229939_100009816398 [0,1,0,0,0,0|2,0,1]=4 5945 B13R0.147 CCCCCCCCNC[C@@H](C)CO 2230a_100000229939_100000059175 [0,1,0,0,0,0|1,0,2]=4 5946 B13R0.147 CCCCCCCCNC[C@@H](C)CO 34a_100000229939_100000059175 [0,1,0,0,0,0|1,0,2]=4 5947 B13R0.147 CCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210759 [0,1,0,0,0,0|3,0,0]=4 5948 B13R0.147 CCCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210759 [0,1,0,0,0,0|1,0,2]=4 5949 B13R0.147 CCCCCCCCNC[C@@H](O)CF 2230a_100000229939_100015614560 [0,1,0,0,0,0|2,0,1]=4 5950 B13R0.147 CCCCCCCCNC[C@@H](O)CF 34a_100000229939_100015614560 [0,1,0,0,0,0|2,0,1]=4 5951 B13R0.147 CCCCCCCCNC[C@@H](O)CO 2230a_100000229939_100009815848 [0,1,0,0,0,0|1,0,2]=4 5952 B13R0.147 CCCCCCCCNC[C@@H](O)CO 34a_100000229939_100009815848 [0,1,0,0,0,0|1,0,2]=4 5953 B13R0.147 CCCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210759 [0,1,0,0,0,0|1,0,2]=4 5954 B13R0.147 CCCCCCCCOCC(C)CC 34a_100000210232_100000748023 [0,1,0,0,0,0|2,0,1]=4 5955 B13R0.147 CCCCCCCCOCC(C)CC 7a_100000210232_100000748023 [0,1,0,0,0,0|2,0,1]=4 5956 B13R0.147 CCCCCCCCOCC(C)CN 34a_100000744482_100000210759 [0,1,0,0,0,0|2,0,1]=4 5957 B13R0.147 CCCCCCCCOCC(C)OC 34a_100000690652_100000210759 [0,1,0,0,0,0|3,0,0]=4 5958 B13R0.147 CCCCCCCCOCC(Cl)CCl 34a_100000033668_100000210759 [0,1,0,0,0,0|2,0,1]=4 5959 B13R0.147 CCCCCCCCOCC(O)CC 34a_100000210232_100011218378 [0,1,0,0,0,0|2,0,1]=4 5960 B13R0.147 CCCCCCCCOCC(O)CC 7a_100000210232_100011218378 [0,1,0,0,0,0|2,0,1]=4 5961 B13R0.147 CCCCCCCCOCC(O)CO 34a_100000210232_100011219619 [0,1,0,0,0,0|1,0,2]=4 5962 B13R0.147 CCCCCCCCOCC(O)CO 7a_100000210232_100011219619 [0,1,0,0,0,0|1,0,2]=4 5963 B13R0.147 CCCCCCCCOC[C@@H](C)CC 34a_100000210232_100009816398 [0,1,0,0,0,0|2,0,1]=4 5964 B13R0.147 CCCCCCCCOC[C@@H](C)CC 7a_100000210232_100009816398 [0,1,0,0,0,0|2,0,1]=4 5965 B13R0.147 CCCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210759 [0,1,0,0,0,0|2,0,1]=4 5966 B13R0.147 CCCCCCCCOC[C@@H](C)CO 34a_100000210232_100000059175 [0,1,0,0,0,0|1,0,2]=4 5967 B13R0.147 CCCCCCCCOC[C@@H](C)CO 7a_100000210232_100000059175 [0,1,0,0,0,0|1,0,2]=4 5968 B13R0.147 CCCCCCCCOC[C@@H](O)CF 34a_100000210232_100015614560 [0,1,0,0,0,0|2,0,1]=4 5969 B13R0.147 CCCCCCCCOC[C@@H](O)CF 7a_100000210232_100015614560 [0,1,0,0,0,0|2,0,1]=4 5970 B13R0.147 CCCCCCCCOC[C@@H](O)CO 34a_100000210232_100009815848 [0,1,0,0,0,0|1,0,2]=4 5971 B13R0.147 CCCCCCCCOC[C@@H](O)CO 7a_100000210232_100009815848 [0,1,0,0,0,0|1,0,2]=4 5972 B13R0.147 CCCCCCCCOC[C@H](F)CN 34a_100015665980_100000210759 [0,1,0,0,0,0|2,0,1]=4 5973 B13R0.147 CCCCCCCCSCC(C)CC 62a_100000210759_100000748023 [0,1,0,0,0,0|2,0,1]=4 5974 B13R0.147 CCCCCCCCSCC(C)CC 62a_100000748023_100000210317 [0,1,0,0,0,0|2,0,1]=4 5975 B13R0.147 CCCCCCCCSCC(O)CC 62a_100000210759_100011218378 [0,1,0,0,0,0|2,0,1]=4 5976 B13R0.147 CCCCCCCCSCC(O)CC 62a_100011218378_100000210317 [0,1,0,0,0,0|2,0,1]=4 5977 B13R0.147 CCCCCCCCSCC(O)CO 62a_100000210759_100011219619 [0,1,0,0,0,0|1,0,2]=4 5978 B13R0.147 CCCCCCCCSCC(O)CO 62a_100011219619_100000210317 [0,1,0,0,0,0|1,0,2]=4 5979 B13R0.147 CCCCCCCCSC[C@@H](C)CC 62a_100000210759_100009816398 [0,1,0,0,0,0|2,0,1]=4 5980 B13R0.147 CCCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210317 [0,1,0,0,0,0|2,0,1]=4 5981 B13R0.147 CCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210317 [0,1,0,0,0,0|1,0,2]=4 5982 B13R0.147 CCCCCCCCSC[C@@H](C)CO 62a_100000210759_100000059175 [0,1,0,0,0,0|1,0,2]=4 5983 B13R0.147 CCCCCCCCSC[C@@H](O)CF 62a_100000210759_100015614560 [0,1,0,0,0,0|2,0,1]=4 5984 B13R0.147 CCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210317 [0,1,0,0,0,0|2,0,1]=4 5985 B13R0.147 CCCCCCCCSC[C@@H](O)CO 62a_100000210759_100009815848 [0,1,0,0,0,0|1,0,2]=4 5986 B13R0.147 CCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210317 [0,1,0,0,0,0|1,0,2]=4 5987 B13R0.147 CCCCCCCNCCC(C)CC 2230a_100020591266_100000210681 [0,1,0,0,0,0|2,0,1]=4 5988 B13R0.147 CCCCCCCNCCC(C)CO 2230a_106354213184_100000210681 [0,1,0,0,0,0|1,0,2]=4 5989 B13R0.147 CCCCCCCNCCC(C)CO 34a_106354213184_100000210614 [0,1,0,0,0,0|1,0,2]=4 5990 B13R0.147 CCCCCCCOCCC(C)CC 7a_100011215188_100000210614 [0,1,0,0,0,0|2,0,1]=4 5991 B13R0.147 CCCCCCCOCCC(C)OC 7a_100000764861_100000210614 [0,1,0,0,0,0|3,0,0]=4 5992 B13R0.147 CCCCCCOCCCC(C)CC 7a_100011216074_100000210314 [0,1,0,0,0,0|2,0,1]=4 5993 B13R0.147 CCCCCCOCCC[C@@H](C)CN 34a_100160569302_100000210314 [0,1,0,0,0,0|2,0,1]=4 5994 B13R0.147 CCCCOCCCCCC(C)CC 7a_200000035636_100000210211 [0,1,0,0,0,0|2,0,1]=4 5995 B13R0.147 CCN(C)CCCCCCCCCO 2230a_100000225621_100009813782 [0,1,0,0,0,0|1,0,2]=4 5996 B13R0.147 CCN(C)CCCCCCCCCO 269982a_100000225621_100009813782 [0,1,0,0,0,0|1,0,2]=4 5997 B13R0.147 CCN(C)CCCSCCCCC=O 62a_100000139335_100015186262 [0,1,0,0,0,0|2,0,0]=3 5998 B13R0.147 CC[C@H](C)CNCCCCCCCO 2230a_100011996573_100009816398 [0,1,0,0,0,0|1,0,2]=4 5999 B13R0.147 CC[C@H](C)CNCCCCCCCO 34a_100011996573_100009816398 [0,1,0,0,0,0|1,0,2]=4 6000 B13R0.147 CC[C@H](C)COCCCCCCC#N 7a_100009816381_100009813337 [0,1,0,0,0,0|2,0,1]=4 6001 B13R0.147 CC[C@H](C)COCCCCCCCBr 34a_100000760002_100009816398 [0,1,0,0,0,0|2,0,1]=4 6002 B13R0.147 CC[C@H](C)COCCCCCCCBr 7a_100000760002_100009816398 [0,1,0,0,0,0|2,0,1]=4 6003 B13R0.147 CC[C@H](C)COCCCCCCCN 34a_100011996573_100009816398 [0,1,0,0,0,0|2,0,1]=4 6004 B13R0.147 CC[C@H](C)COCCCCCCCO 7a_100009816381_100000760002 [0,1,0,0,0,0|1,0,2]=4 6005 B13R0.147 CC[C@H](C)COCCCCCCOC 34a_200012092642_100009816398 [0,1,0,0,0,0|3,0,0]=4 6006 B13R0.147 CC[C@H](C)COCCCCCCOC 7a_100009816381_100011998445 [0,1,0,0,0,0|3,0,0]=4 6007 B13R0.147 CC[C@H](C)COCCCCCCOC 7a_200012092642_100009816398 [0,1,0,0,0,0|3,0,0]=4 6008 B13R0.147 CC[C@H](C)CSCCCCCCC#N 62a_100009813337_100009816398 [0,1,0,0,0,0|2,0,1]=4 6009 B13R0.147 CC[C@H](C)CSCCCCCCC#N 62a_100009816398_100009813337 [0,1,0,0,0,0|2,0,1]=4 6010 B13R0.147 CC[C@H](C)CSCCCCCCCO 62a_100000760002_100009816398 [0,1,0,0,0,0|1,0,2]=4 6011 B13R0.147 CC[C@H](C)CSCCCCCCCO 62a_100009816398_100000760002 [0,1,0,0,0,0|1,0,2]=4 6012 B13R0.147 CC[C@H](C)CSCCCCCCOC 62a_100009816398_100011998445 [0,1,0,0,0,0|3,0,0]=4 6013 B13R0.147 CC[C@H](C)CSCCCCCCOC 62a_100011998445_100009816398 [0,1,0,0,0,0|3,0,0]=4 6014 B13R0.147 CNC(=O)CCCNCCCCC=O 2230a_100000740002_100000139335 [0,1,0,0,0,0|2,0,1]=4 6015 B13R0.147 CNC(=O)CCCSCCCCC=O 62a_100000139335_100000741757 [0,1,0,0,0,0|2,0,1]=4 6016 B13R0.147 CNC(=O)CCCSCCCCC=O 62a_100000741757_100000139335 [0,1,0,0,0,0|2,0,1]=4 6017 B13R0.147 CNC(=O)CCNCCCCCC=O 2230a_100000738227_100000139337 [0,1,0,0,0,0|2,0,1]=4 6018 B13R0.147 CNC(=O)CCSCCCCCC=O 62a_100000139337_100000737683 [0,1,0,0,0,0|2,0,1]=4 6019 B13R0.147 CNC(=O)CCSCCCCCC=O 62a_100000737683_100000139337 [0,1,0,0,0,0|2,0,1]=4 6020 B13R0.147 COC(=O)CCCCCCOCC=O 34a_100009863599_200009817547 [0,1,0,0,0,0|2,0,1]=4 6021 B13R0.147 COC(=O)CCCCCCOCC=O 7a_100009863599_200015260668 [0,1,0,0,0,0|2,0,1]=4 6022 B13R0.147 COC(=O)CCCCCCSCC=O 62a_100009815986_200015260668 [0,1,0,0,0,0|2,0,1]=4 6023 B13R0.147 COC(=O)CCCCCCSCC=O 62a_200015260668_100009815986 [0,1,0,0,0,0|2,0,1]=4 6024 B13R0.147 COC(=O)CCCCOCCCC=O 7a_100000059025_200011292268 [0,1,0,0,0,0|2,0,1]=4 6025 B13R0.147 COC(=O)CCCCSCCCC=O 62a_100000204269_200011292268 [0,1,0,0,0,0|2,0,1]=4 6026 B13R0.147 COC(=O)CCCCSCCCC=O 62a_200011292268_100000204269 [0,1,0,0,0,0|2,0,1]=4 6027 B13R0.147 COC(=O)CCCSCCCCC=O 62a_100000139335_100011218270 [0,1,0,0,0,0|2,0,1]=4 6028 B13R0.147 COC(=O)CCCSCCCCC=O 62a_100011218270_100000139335 [0,1,0,0,0,0|2,0,1]=4 6029 B13R0.147 COC(=O)CCSCCCCCC=O 62a_100000139337_100000204255 [0,1,0,0,0,0|2,0,1]=4 6030 B13R0.147 COC(=O)CCSCCCCCC=O 62a_100000204255_100000139337 [0,1,0,0,0,0|2,0,1]=4 6031 B13R0.147 COC(C)CCOCCCCCC=O 7a_100000764861_100000139337 [0,1,0,0,0,0|2,0,0]=3 6032 B13R0.165 C#CCCCCC(=O)CCCCCC 1458a_100000696528_100000210757 [0,1,0,0,0,0|1,0,2]=4 6033 B13R0.165 C#CCCCCC(=O)CCCCCC 1458a_100102632555_100010269958 [0,1,0,0,0,0|1,0,2]=4 6034 B13R0.165 C#CCCCCN(C)CCCCCC 2230a_106256046315_100010269958 [0,1,0,0,0,0|2,0,1]=4 6035 B13R0.165 C#CCCCCN(C)CCCCCC 269982a_106256046315_100010269958 [0,1,0,0,0,0|2,0,1]=4 6036 B13R0.165 C#CCCCNC(C)CCCCCC 2230a_100000210919_100000731252 [0,1,0,0,0,0|2,0,1]=4 6037 B13R0.165 C#CCCCNC(C)CCCCCC 270004a_100000718082_100000210826 [0,1,0,0,0,0|2,0,1]=4 6038 B13R0.165 C#CCCCNC(C)CCCCCC 34a_100000210919_100000695029 [0,1,0,0,0,0|2,0,1]=4 6039 B13R0.165 C#CCCCNC(C)CCCCCC 34a_100000718082_100011215978 [0,1,0,0,0,0|2,0,1]=4 6040 B13R0.165 C#CCCCOC(C)CCCCCC 34a_100000210265_100000695029 [0,1,0,0,0,0|2,0,1]=4 6041 B13R0.165 C#CCCCOC(C)CCCCCC 34a_100000215630_100011215978 [0,1,0,0,0,0|2,0,1]=4 6042 B13R0.165 C#CCCCOC(C)CCCCCC 7a_100000210265_100011215417 [0,1,0,0,0,0|2,0,1]=4 6043 B13R0.165 C#CCCCOC(C)CCCCCC 7a_100000215630_100011215978 [0,1,0,0,0,0|2,0,1]=4 6044 B13R0.165 C#CCCCSC(C)CCCCCC 62a_100011215417_100011215978 [0,1,0,0,0,0|2,0,1]=4 6045 B13R0.165 C#CCCCSC(C)CCCCCC 62a_100011215978_100011215417 [0,1,0,0,0,0|2,0,1]=4 6046 B13R0.165 C#CCOCCC(C)CCCCCC 34a_200011024964_100000184674 [0,1,0,0,0,0|2,0,1]=4 6047 B13R0.165 C#CCOCCC(C)CCCCCC 7a_200011024964_100000038162 [0,1,0,0,0,0|2,0,1]=4 6048 B13R0.165 C/C=C/CCOC(C)CCCCCC 34a_100016278192_100011215978 [0,1,0,0,0,0|2,0,1]=4 6049 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100011215552_100000210757 [0,1,0,0,0,0|1,0,1]=3 6050 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100102632555_100011215482 [0,1,0,0,0,0|1,0,1]=3 6051 B13R0.165 C=CCCCCC(=O)CCCCCF 1458a_100011215552_100000729378 [0,1,0,0,0,0|2,0,1]=4 6052 B13R0.165 C=CCCCCC(=O)CCCCCO 1458a_100011215552_100000746330 [0,1,0,0,0,0|2,0,1]=4 6053 B13R0.165 C=CCCCCC(=O)CCCCCO 1458a_100102619762_100011215482 [0,1,0,0,0,0|2,0,1]=4 6054 B13R0.165 C=CCCCCC(=O)CCCCOC 1458a_100011215552_100000755781 [0,1,0,0,0,0|2,0,1]=4 6055 B13R0.165 C=CCCCCC(=O)CCCOCC 1458a_100011215552_100012232248 [0,1,0,0,0,0|2,0,1]=4 6056 B13R0.165 C=CCCCCC(=O)CCOCCC 1458a_100011215552_100011215938 [0,1,0,0,0,0|2,0,1]=4 6057 B13R0.165 C=CCCCCC(=O)COCCCC 1458a_100000757543_100011215482 [0,1,0,0,0,0|2,0,1]=4 6058 B13R0.165 C=CCCCCC(=O)COCCCC 1458a_100011215552_100011995733 [0,1,0,0,0,0|2,0,1]=4 6059 B13R0.165 C=CCCCCC(=O)CSCCCC 1458a_100000191162_100011215482 [0,1,0,0,0,0|2,0,1]=4 6060 B13R0.165 C=CCCCCC(=O)NCCCCC 11a_100000209983_100011215552 [0,1,0,0,0,0|2,0,1]=4 6061 B13R0.165 C=CCCCCC(=O)NCCCCC 1626a_100000209983_100011215552 [0,1,0,0,0,0|2,0,1]=4 6062 B13R0.165 C=CCCCCC(=O)NCCCCC 240690a_100000209983_100011215552 [0,1,0,0,0,0|2,0,1]=4 6063 B13R0.165 C=CCCCCC(=O)NCCCCC 527a_100000209983_100011215552 [0,1,0,0,0,0|2,0,1]=4 6064 B13R0.165 C=CCCCCN(C)CCCCC=O 2230a_100012000471_100000139335 [0,1,0,0,0,0|1,0,2]=4 6065 B13R0.165 C=CCCCCN(C)CCCCC=O 269982a_100012000471_100000139335 [0,1,0,0,0,0|1,0,2]=4 6066 B13R0.165 C=CCCCCN(C)CCCCCC 2230a_100012000471_100000210314 [0,1,0,0,0,0|2,0,0]=3 6067 B13R0.165 C=CCCCCN(C)CCCCCC 2230a_106256046315_100011215482 [0,1,0,0,0,0|2,0,0]=3 6068 B13R0.165 C=CCCCCN(C)CCCCCC 269982a_100012000471_100000210757 [0,1,0,0,0,0|2,0,0]=3 6069 B13R0.165 C=CCCCCN(C)CCCCCC 269982a_106256046315_100011215482 [0,1,0,0,0,0|2,0,0]=3 6070 B13R0.165 C=CCCCCN(C)CCCCCF 2230a_100012000471_100000729378 [0,1,0,0,0,0|3,0,0]=4 6071 B13R0.165 C=CCCCCN(C)CCCCCF 269982a_100012000471_100000729378 [0,1,0,0,0,0|3,0,0]=4 6072 B13R0.165 C=CCCCCN(C)CCCCCO 2230a_100000722520_100011215482 [0,1,0,0,0,0|3,0,0]=4 6073 B13R0.165 C=CCCCCN(C)CCCCCO 2230a_100012000471_100000746330 [0,1,0,0,0,0|3,0,0]=4 6074 B13R0.165 C=CCCCCN(C)CCCCCO 269982a_100000722520_100011215482 [0,1,0,0,0,0|3,0,0]=4 6075 B13R0.165 C=CCCCCN(C)CCCCCO 269982a_100012000471_100000746330 [0,1,0,0,0,0|3,0,0]=4 6076 B13R0.165 C=CCCCCN(C)CCCCOC 2230a_100012000471_100000730899 [0,1,0,0,0,0|3,0,0]=4 6077 B13R0.165 C=CCCCCN(C)CCCCOC 269982a_100012000471_100000730899 [0,1,0,0,0,0|3,0,0]=4 6078 B13R0.165 C=CCCCCN(C)CCCOCC 2230a_100012000471_100012232248 [0,1,0,0,0,0|3,0,0]=4 6079 B13R0.165 C=CCCCCN(C)CCCOCC 269982a_100012000471_100012232248 [0,1,0,0,0,0|3,0,0]=4 6080 B13R0.165 C=CCCCCN(C)CCOCCC 2230a_100012000471_100011215938 [0,1,0,0,0,0|3,0,0]=4 6081 B13R0.165 C=CCCCCN(C)CCOCCC 269982a_100012000471_100011215938 [0,1,0,0,0,0|3,0,0]=4 6082 B13R0.165 C=CCCCCN(C)COCCCC 2230a_100012000471_100011995733 [0,1,0,0,0,0|3,0,0]=4 6083 B13R0.165 C=CCCCCN(C)COCCCC 269982a_100012000471_100011995733 [0,1,0,0,0,0|3,0,0]=4 6084 B13R0.165 C=CCCCNC(=O)CCCCCC 11a_100000700776_100102632555 [0,1,0,0,0,0|2,0,1]=4 6085 B13R0.165 C=CCCCNC(=O)CCCCCC 1626a_100000700776_100102632555 [0,1,0,0,0,0|2,0,1]=4 6086 B13R0.165 C=CCCCNC(=O)CCCCCC 240690a_100000700776_100102632555 [0,1,0,0,0,0|2,0,1]=4 6087 B13R0.165 C=CCCCNC(=O)CCCCCC 527a_100000700776_100102632555 [0,1,0,0,0,0|2,0,1]=4 6088 B13R0.165 C=CCCCNC(C)CCCCCC 2230a_100000210919_100011713584 [0,1,0,0,0,0|2,0,0]=3 6089 B13R0.165 C=CCCCNC(C)CCCCCC 2230a_100000700776_100011215978 [0,1,0,0,0,0|2,0,0]=3 6090 B13R0.165 C=CCCCNC(C)CCCCCC 270004a_100000700776_100000210826 [0,1,0,0,0,0|2,0,0]=3 6091 B13R0.165 C=CCCCNC(C)CCCCCC 34a_100000210919_100000757094 [0,1,0,0,0,0|2,0,0]=3 6092 B13R0.165 C=CCCCNC(C)CCCCCC 34a_100000700776_100011215978 [0,1,0,0,0,0|2,0,0]=3 6093 B13R0.165 C=CCCCOC(C)CCCCCC 34a_100000210265_100000757094 [0,1,0,0,0,0|2,0,0]=3 6094 B13R0.165 C=CCCCOC(C)CCCCCC 34a_100000758997_100011215978 [0,1,0,0,0,0|2,0,0]=3 6095 B13R0.165 C=CCCCOC(C)CCCCCC 7a_100000210265_100000757094 [0,1,0,0,0,0|2,0,0]=3 6096 B13R0.165 C=CCCCOC(C)CCCCCC 7a_100000758997_100011215978 [0,1,0,0,0,0|2,0,0]=3 6097 B13R0.165 C=CCCCOC(C)COCCCC 34a_100011217071_100000757094 [0,1,0,0,0,0|3,0,0]=4 6098 B13R0.165 C=CCCCOC(C)COCCCC 7a_100011217071_100000757094 [0,1,0,0,0,0|3,0,0]=4 6099 B13R0.165 C=CCCCSC(C)CCCCCC 62a_100011215978_100000757094 [0,1,0,0,0,0|2,0,0]=3 6100 B13R0.165 C=CCCCSC(C)CCCCCC 62a_100011713584_100011215978 [0,1,0,0,0,0|2,0,0]=3 6101 B13R0.165 C=CCOCCC(=O)CCCCCC 1458a_200011217002_100000210757 [0,1,0,0,0,0|2,0,1]=4 6102 B13R0.165 C=CCOCCC(C)CCCCCC 34a_200011024964_100015514636 [0,1,0,0,0,0|2,0,0]=3 6103 B13R0.165 C=CCOCCC(C)CCCCCC 7a_200011024964_100015514636 [0,1,0,0,0,0|2,0,0]=3 6104 B13R0.165 C=COCCNC(C)CCCCCC 2230a_100000210919_100000039644 [0,1,0,0,0,0|3,0,0]=4 6105 B13R0.165 C=COCCNC(C)CCCCCC 34a_100000210919_100000039644 [0,1,0,0,0,0|3,0,0]=4 6106 B13R0.165 C=COCCOC(C)CCCCCC 34a_100000033082_100011215978 [0,1,0,0,0,0|3,0,0]=4 6107 B13R0.165 C=COCCOC(C)CCCCCC 34a_100000210265_100000039644 [0,1,0,0,0,0|3,0,0]=4 6108 B13R0.165 C=COCCOC(C)CCCCCC 7a_100000210265_100000039644 [0,1,0,0,0,0|3,0,0]=4 6109 B13R0.165 C=COCCSC(C)CCCCCC 62a_100000039644_100011215978 [0,1,0,0,0,0|3,0,0]=4 6110 B13R0.165 C=COCCSC(C)CCCCCC 62a_100011215978_100000039644 [0,1,0,0,0,0|3,0,0]=4 6111 B13R0.165 CCCCCCC(=O)CCCCC#N 1458a_100102632555_100000211819 [0,1,0,0,0,0|1,0,2]=4 6112 B13R0.165 CCCCCCC(=O)CCCCCC 1458a_100102632555_100000210757 [0,1,0,0,0,0|1,0,2]=4 6113 B13R0.165 CCCCCCC(=O)CCCCCF 1458a_100102632555_100000729378 [0,1,0,0,0,0|1,0,2]=4 6114 B13R0.165 CCCCCCC(=O)CCCCCO 1458a_100102619762_100000210757 [0,1,0,0,0,0|0,0,3]=4 6115 B13R0.165 CCCCCCC(=O)CCCCCO 1458a_100102632555_100000746330 [0,1,0,0,0,0|0,0,3]=4 6116 B13R0.165 CCCCCCC(=O)CCCCOC 1458a_100102632555_100000755781 [0,1,0,0,0,0|2,0,1]=4 6117 B13R0.165 CCCCCCC(C)CCOCC#N 7a_200011024964_100011215382 [0,1,0,0,0,0|2,0,1]=4 6118 B13R0.165 CCCCCCC(C)CCOCC=O 34a_200011024964_200009817547 [0,1,0,0,0,0|1,0,0]=2 6119 B13R0.165 CCCCCCC(C)CCOCC=O 7a_200011024964_200015260668 [0,1,0,0,0,0|1,0,0]=2 6120 B13R0.165 CCCCCCC(C)CCOCCC 34a_200011024964_100000210303 [0,1,0,0,0,0|2,0,1]=4 6121 B13R0.165 CCCCCCC(C)CCOCCC 7a_200011024964_100000210303 [0,1,0,0,0,0|2,0,1]=4 6122 B13R0.165 CCCCCCC(C)CCOCCF 34a_200011024964_100011217306 [0,1,0,0,0,0|2,0,1]=4 6123 B13R0.165 CCCCCCC(C)CCOCCF 7a_200011024964_100011217306 [0,1,0,0,0,0|2,0,1]=4 6124 B13R0.165 CCCCCCC(C)CCOCCO 34a_200011024964_100000211926 [0,1,0,0,0,0|1,0,2]=4 6125 B13R0.165 CCCCCCC(C)CCOCCO 7a_200011024964_100000211926 [0,1,0,0,0,0|1,0,2]=4 6126 B13R0.165 CCCCCCC(C)CCOCSC 34a_200011024964_100011218213 [0,1,0,0,0,0|3,0,0]=4 6127 B13R0.165 CCCCCCC(C)NCCCC#N 2230a_100000210919_100000687738 [0,1,0,0,0,0|2,0,1]=4 6128 B13R0.165 CCCCCCC(C)NCCCC=O 2230a_100000210919_200011292268 [0,1,0,0,0,0|1,0,0]=2 6129 B13R0.165 CCCCCCC(C)NCCCCC 2230a_100000209983_100011215978 [0,1,0,0,0,0|2,0,1]=4 6130 B13R0.165 CCCCCCC(C)NCCCCC 2230a_100000210919_100000210326 [0,1,0,0,0,0|2,0,1]=4 6131 B13R0.165 CCCCCCC(C)NCCCCC 270004a_100000209983_100000210826 [0,1,0,0,0,0|2,0,1]=4 6132 B13R0.165 CCCCCCC(C)NCCCCC 34a_100000210919_100000718602 [0,1,0,0,0,0|2,0,1]=4 6133 B13R0.165 CCCCCCC(C)NCCCCF 2230a_100000210919_100000729493 [0,1,0,0,0,0|2,0,1]=4 6134 B13R0.165 CCCCCCC(C)NCCCCF 34a_100000210919_100000729493 [0,1,0,0,0,0|2,0,1]=4 6135 B13R0.165 CCCCCCC(C)NCCCCO 2230a_100000210919_100000210776 [0,1,0,0,0,0|1,0,2]=4 6136 B13R0.165 CCCCCCC(C)NCCCCO 2230a_100000750430_100011215978 [0,1,0,0,0,0|1,0,2]=4 6137 B13R0.165 CCCCCCC(C)NCCCCO 270004a_100000750430_100000210826 [0,1,0,0,0,0|1,0,2]=4 6138 B13R0.165 CCCCCCC(C)NCCCCO 34a_100000210919_100011216708 [0,1,0,0,0,0|1,0,2]=4 6139 B13R0.165 CCCCCCC(C)NCCCCO 34a_100000750430_100011215978 [0,1,0,0,0,0|1,0,2]=4 6140 B13R0.165 CCCCCCC(C)NCCCOC 2230a_100000210919_100000740836 [0,1,0,0,0,0|3,0,0]=4 6141 B13R0.165 CCCCCCC(C)NCCCOC 270004a_100150723488_100000210826 [0,1,0,0,0,0|3,0,0]=4 6142 B13R0.165 CCCCCCC(C)NCCCOC 34a_100000210919_100000740836 [0,1,0,0,0,0|3,0,0]=4 6143 B13R0.165 CCCCCCC(C)NCCCOC 34a_100150723488_100011215978 [0,1,0,0,0,0|3,0,0]=4 6144 B13R0.165 CCCCCCC(C)NCCCSC 2230a_100000749238_100011215978 [0,1,0,0,0,0|3,0,0]=4 6145 B13R0.165 CCCCCCC(C)NCCCSC 270004a_100000749238_100000210826 [0,1,0,0,0,0|3,0,0]=4 6146 B13R0.165 CCCCCCC(C)OCCCC#N 7a_100000210265_100000687738 [0,1,0,0,0,0|2,0,1]=4 6147 B13R0.165 CCCCCCC(C)OCCCC=O 7a_100000210265_200011292268 [0,1,0,0,0,0|1,0,0]=2 6148 B13R0.165 CCCCCCC(C)OCCCCBr 34a_100011216708_100011215978 [0,1,0,0,0,0|2,0,1]=4 6149 B13R0.165 CCCCCCC(C)OCCCCC 34a_100000210253_100011215978 [0,1,0,0,0,0|2,0,1]=4 6150 B13R0.165 CCCCCCC(C)OCCCCC 34a_100000210265_100000718602 [0,1,0,0,0,0|2,0,1]=4 6151 B13R0.165 CCCCCCC(C)OCCCCC 7a_100000210253_100011215978 [0,1,0,0,0,0|2,0,1]=4 6152 B13R0.165 CCCCCCC(C)OCCCCC 7a_100000210265_100000210326 [0,1,0,0,0,0|2,0,1]=4 6153 B13R0.165 CCCCCCC(C)OCCCCCl 34a_100000210776_100011215978 [0,1,0,0,0,0|2,0,1]=4 6154 B13R0.165 CCCCCCC(C)OCCCCCl 7a_100000210776_100011215978 [0,1,0,0,0,0|2,0,1]=4 6155 B13R0.165 CCCCCCC(C)OCCCCF 34a_100000210265_100000729493 [0,1,0,0,0,0|2,0,1]=4 6156 B13R0.165 CCCCCCC(C)OCCCCF 34a_100011995726_100011215978 [0,1,0,0,0,0|2,0,1]=4 6157 B13R0.165 CCCCCCC(C)OCCCCF 7a_100000210265_100000729493 [0,1,0,0,0,0|2,0,1]=4 6158 B13R0.165 CCCCCCC(C)OCCCCF 7a_100011995726_100011215978 [0,1,0,0,0,0|2,0,1]=4 6159 B13R0.165 CCCCCCC(C)OCCCCI 34a_200012148704_100011215978 [0,1,0,0,0,0|2,0,1]=4 6160 B13R0.165 CCCCCCC(C)OCCCCN 34a_100000750430_100011215978 [0,1,0,0,0,0|2,0,1]=4 6161 B13R0.165 CCCCCCC(C)OCCCCO 34a_100000210265_100011216708 [0,1,0,0,0,0|1,0,2]=4 6162 B13R0.165 CCCCCCC(C)OCCCCO 7a_100000210265_100000210776 [0,1,0,0,0,0|1,0,2]=4 6163 B13R0.165 CCCCCCC(C)OCCCNC 34a_100000213112_100011215978 [0,1,0,0,0,0|3,0,0]=4 6164 B13R0.165 CCCCCCC(C)OCCCOC 34a_100000210265_100000740836 [0,1,0,0,0,0|3,0,0]=4 6165 B13R0.165 CCCCCCC(C)OCCCOC 34a_100000740835_100011215978 [0,1,0,0,0,0|3,0,0]=4 6166 B13R0.165 CCCCCCC(C)OCCCOC 7a_100000210265_100000740836 [0,1,0,0,0,0|3,0,0]=4 6167 B13R0.165 CCCCCCC(C)OCCCSC 34a_100000690336_100011215978 [0,1,0,0,0,0|3,0,0]=4 6168 B13R0.165 CCCCCCC(C)OCCCSC 7a_100000690336_100011215978 [0,1,0,0,0,0|3,0,0]=4 6169 B13R0.165 CCCCCCC(C)SCCCC#N 62a_100000687738_100011215978 [0,1,0,0,0,0|2,0,1]=4 6170 B13R0.165 CCCCCCC(C)SCCCC#N 62a_100011215978_100000687738 [0,1,0,0,0,0|2,0,1]=4 6171 B13R0.165 CCCCCCC(C)SCCCC=O 62a_100011215978_200011292268 [0,1,0,0,0,0|1,0,0]=2 6172 B13R0.165 CCCCCCC(C)SCCCC=O 62a_200011292268_100011215978 [0,1,0,0,0,0|1,0,0]=2 6173 B13R0.165 CCCCCCC(C)SCCCCC 62a_100000210326_100011215978 [0,1,0,0,0,0|2,0,1]=4 6174 B13R0.165 CCCCCCC(C)SCCCCC 62a_100011215978_100000210326 [0,1,0,0,0,0|2,0,1]=4 6175 B13R0.165 CCCCCCC(C)SCCCCF 62a_100000729493_100011215978 [0,1,0,0,0,0|2,0,1]=4 6176 B13R0.165 CCCCCCC(C)SCCCCF 62a_100011215978_100000729493 [0,1,0,0,0,0|2,0,1]=4 6177 B13R0.165 CCCCCCC(C)SCCCCO 62a_100000210776_100011215978 [0,1,0,0,0,0|1,0,2]=4 6178 B13R0.165 CCCCCCC(C)SCCCCO 62a_100011215978_100000210776 [0,1,0,0,0,0|1,0,2]=4 6179 B13R0.165 CCCCCCC(C)SCCCOC 62a_100000709357_100011215978 [0,1,0,0,0,0|3,0,0]=4 6180 B13R0.165 CCCCCCC(C)SCCCOC 62a_100011215978_100000709357 [0,1,0,0,0,0|3,0,0]=4 6181 B13R0.165 CCCCCCN(C)CCCCC#N 2230a_106256046315_100000211819 [0,1,0,0,0,0|2,0,1]=4 6182 B13R0.165 CCCCCCN(C)CCCCC#N 269982a_106256046315_100011219923 [0,1,0,0,0,0|2,0,1]=4 6183 B13R0.165 CCCCCCN(C)CCCCC=O 2230a_106256046315_100000139335 [0,1,0,0,0,0|1,0,0]=2 6184 B13R0.165 CCCCCCN(C)CCCCC=O 269982a_106256046315_100000139335 [0,1,0,0,0,0|1,0,0]=2 6185 B13R0.165 CCCCCCN(C)CCCCCC 2230a_100000210582_200000210301 [0,1,0,0,0,0|2,0,1]=4 6186 B13R0.165 CCCCCCN(C)CCCCCC 2230a_106256046315_100000210314 [0,1,0,0,0,0|2,0,1]=4 6187 B13R0.165 CCCCCCN(C)CCCCCC 269982a_100000210582_200000210301 [0,1,0,0,0,0|2,0,1]=4 6188 B13R0.165 CCCCCCN(C)CCCCCC 269982a_106256046315_100000210757 [0,1,0,0,0,0|2,0,1]=4 6189 B13R0.165 CCCCCCN(C)CCCCCF 2230a_106256046315_100000729378 [0,1,0,0,0,0|2,0,1]=4 6190 B13R0.165 CCCCCCN(C)CCCCCF 269982a_106256046315_100000729378 [0,1,0,0,0,0|2,0,1]=4 6191 B13R0.165 CCCCCCN(C)CCCCCO 2230a_100000722520_100000210314 [0,1,0,0,0,0|1,0,2]=4 6192 B13R0.165 CCCCCCN(C)CCCCCO 2230a_106256046315_100000746330 [0,1,0,0,0,0|1,0,2]=4 6193 B13R0.165 CCCCCCN(C)CCCCCO 269982a_100000722520_100000210757 [0,1,0,0,0,0|1,0,2]=4 6194 B13R0.165 CCCCCCN(C)CCCCCO 269982a_106256046315_100000746330 [0,1,0,0,0,0|1,0,2]=4 6195 B13R0.165 CCCCCCN(C)CCCCOC 2230a_106256046315_100000730899 [0,1,0,0,0,0|3,0,0]=4 6196 B13R0.165 CCCCCCN(C)CCCCOC 269982a_106256046315_100000730899 [0,1,0,0,0,0|3,0,0]=4 6197 B13R0.165 CCCCCCN([13CH3])CCCCCC 2230a_100000210582_200025704644 [0,1,0,0,0,0|2,0,1]=4 6198 B13R0.165 CCCCCCN([13CH3])CCCCCC 269982a_100000210582_200025704644 [0,1,0,0,0,0|2,0,1]=4 6199 B13R0.165 CCCCOCC(C)OCCCC=O 7a_100011217071_200011292268 [0,1,0,0,0,0|2,0,0]=3 6200 B13R0.165 CN(CCCCC=O)CCCCCO 2230a_100000722520_100000139335 [0,1,0,0,0,0|2,0,0]=3 6201 B13R0.165 CN(CCCCC=O)CCCCCO 269982a_100000722520_100000139335 [0,1,0,0,0,0|2,0,0]=3 6202 B13R0.165 CN(CCCCC=O)CCOCCO 2230a_100000228057_100000139335 [0,1,0,0,0,0|3,0,0]=4 6203 B13R0.165 CN(CCCCC=O)CCOCCO 269982a_100000228057_100000139335 [0,1,0,0,0,0|3,0,0]=4 6204 B13R0.336 C#CCCCCCCCCCCOC 34a_100000054667_200000210301 [0,1,0,0,0,0|1,0,1]=3 6205 B13R0.336 C#CCCCCCCCCCCOC 7a_100000054667_200000210301 [0,1,0,0,0,0|1,0,1]=3 6206 B13R0.336 C#CCCCCCCCCCCO[13CH3] 34a_100000054667_200025704644 [0,1,0,0,0,0|1,0,1]=3 6207 B13R0.336 C#CCCCCCCCCCCO[13CH3] 7a_100000054667_200025704644 [0,1,0,0,0,0|1,0,1]=3 6208 B13R0.336 C#CCCCCCCCCCOCC 34a_100000034437_100000210202 [0,1,0,0,0,0|1,0,1]=3 6209 B13R0.336 C#CCCCCCCCCCOCC 7a_100000034437_100000210202 [0,1,0,0,0,0|1,0,1]=3 6210 B13R0.336 C#CCCCCCCCCCOCF 34a_100000034437_100015361967 [0,1,0,0,0,0|2,0,1]=4 6211 B13R0.336 C#CCCCCCCCCCOCF 7a_100000034437_100015361967 [0,1,0,0,0,0|2,0,1]=4 6212 B13R0.336 C#CCCCCCCCCOCC=C 34a_100000065265_100015514636 [0,1,0,0,0,0|1,0,2]=4 6213 B13R0.336 C#CCCCCCCCCOCC=C 7a_100000065265_100015514636 [0,1,0,0,0,0|1,0,2]=4 6214 B13R0.336 C#CCCCCCCCCOCC=O 34a_100000065265_200009817547 [0,1,0,0,0,0|0,0,2]=3 6215 B13R0.336 C#CCCCCCCCCOCC=O 7a_100000065265_200015260668 [0,1,0,0,0,0|0,0,2]=3 6216 B13R0.336 C#CCCCCCCCCOCCC 34a_100000065265_100000210303 [0,1,0,0,0,0|1,0,1]=3 6217 B13R0.336 C#CCCCCCCCCOCCC 7a_100000065265_100000210303 [0,1,0,0,0,0|1,0,1]=3 6218 B13R0.336 C#CCCCCCCCCOCCF 34a_100000065265_100011217306 [0,1,0,0,0,0|2,0,1]=4 6219 B13R0.336 C#CCCCCCCCCOCCF 7a_100000065265_100011217306 [0,1,0,0,0,0|2,0,1]=4 6220 B13R0.336 C#CCCCCCCCCOCCO 34a_100000065265_100000211926 [0,1,0,0,0,0|2,0,1]=4 6221 B13R0.336 C#CCCCCCCCCOCCO 7a_100000065265_100000211926 [0,1,0,0,0,0|2,0,1]=4 6222 B13R0.336 C#CCCCCCCCCOCSC 34a_100000065265_100011218213 [0,1,0,0,0,0|2,0,1]=4 6223 B13R0.336 C#CCCCCCCCNCCC=C 2230a_100015191253_100153394163 [0,1,0,0,0,0|1,0,2]=4 6224 B13R0.336 C#CCCCCCCCNCCCC 2230a_100000102301_100153394163 [0,1,0,0,0,0|1,0,1]=3 6225 B13R0.336 C#CCCCCCCCNCCCC 7a_106832991798_100153394163 [0,1,0,0,0,0|1,0,1]=3 6226 B13R0.336 C#CCCCCCCCNCCCF 2230a_100015189416_100153394163 [0,1,0,0,0,0|2,0,1]=4 6227 B13R0.336 C#CCCCCCCCNCCCF 34a_100015189416_100153394163 [0,1,0,0,0,0|2,0,1]=4 6228 B13R0.336 C#CCCCCCCCNCCOC 2230a_100000209980_100153394163 [0,1,0,0,0,0|2,0,1]=4 6229 B13R0.336 C#CCCCCCCCNCCSC 2230a_100020590264_100153394163 [0,1,0,0,0,0|2,0,1]=4 6230 B13R0.336 C#CCCCCCCCOCCC=C 34a_100000054614_100000754431 [0,1,0,0,0,0|1,0,2]=4 6231 B13R0.336 C#CCCCCCCCOCCC=C 34a_100011205117_100153394163 [0,1,0,0,0,0|1,0,2]=4 6232 B13R0.336 C#CCCCCCCCOCCC=C 7a_100000054614_100000754431 [0,1,0,0,0,0|1,0,2]=4 6233 B13R0.336 C#CCCCCCCCOCCCBr 34a_100011217188_100153394163 [0,1,0,0,0,0|2,0,1]=4 6234 B13R0.336 C#CCCCCCCCOCCCC 34a_100000054614_100000210210 [0,1,0,0,0,0|1,0,1]=3 6235 B13R0.336 C#CCCCCCCCOCCCC 34a_100000210227_100153394163 [0,1,0,0,0,0|1,0,1]=3 6236 B13R0.336 C#CCCCCCCCOCCCC 7a_100000054614_100000210211 [0,1,0,0,0,0|1,0,1]=3 6237 B13R0.336 C#CCCCCCCCOCCCC 7a_100000210227_100153394163 [0,1,0,0,0,0|1,0,1]=3 6238 B13R0.336 C#CCCCCCCCOCCCCl 34a_100000230001_100153394163 [0,1,0,0,0,0|2,0,1]=4 6239 B13R0.336 C#CCCCCCCCOCCCF 34a_100000054614_100011934791 [0,1,0,0,0,0|2,0,1]=4 6240 B13R0.336 C#CCCCCCCCOCCCF 34a_100000759539_100153394163 [0,1,0,0,0,0|2,0,1]=4 6241 B13R0.336 C#CCCCCCCCOCCCF 7a_100000054614_100011934791 [0,1,0,0,0,0|2,0,1]=4 6242 B13R0.336 C#CCCCCCCCOCCCN 34a_100000182051_100153394163 [0,1,0,0,0,0|2,0,1]=4 6243 B13R0.336 C#CCCCCCCCOCCCO 34a_100000054614_100000230001 [0,1,0,0,0,0|2,0,1]=4 6244 B13R0.336 C#CCCCCCCCOCCCO 7a_100000054614_100011215043 [0,1,0,0,0,0|2,0,1]=4 6245 B13R0.336 C#CCCCCCCCOCCOC 34a_100000054614_100011201679 [0,1,0,0,0,0|2,0,1]=4 6246 B13R0.336 C#CCCCCCCCOCCOC 34a_100000210237_100153394163 [0,1,0,0,0,0|2,0,1]=4 6247 B13R0.336 C#CCCCCCCCOCCOC 7a_100000054614_100000233755 [0,1,0,0,0,0|2,0,1]=4 6248 B13R0.336 C#CCCCCCCCOCCSC 34a_100000054614_100000212216 [0,1,0,0,0,0|2,0,1]=4 6249 B13R0.336 C#CCCCCCCCOCCSC 34a_100000230434_100153394163 [0,1,0,0,0,0|2,0,1]=4 6250 B13R0.336 C#CCCCCCCCOCCSC 7a_100000054614_100000212216 [0,1,0,0,0,0|2,0,1]=4 6251 B13R0.336 C#CCCCCCCCOCCSC 7a_100000230434_100153394163 [0,1,0,0,0,0|2,0,1]=4 6252 B13R0.336 C#CCCCCCCCSCCC=C 62a_100000754431_100153394163 [0,1,0,0,0,0|1,0,2]=4 6253 B13R0.336 C#CCCCCCCCSCCC=C 62a_100153394163_100000754431 [0,1,0,0,0,0|1,0,2]=4 6254 B13R0.336 C#CCCCCCCCSCCCC 62a_100000210211_100153394163 [0,1,0,0,0,0|1,0,1]=3 6255 B13R0.336 C#CCCCCCCCSCCCC 62a_100153394163_100000210210 [0,1,0,0,0,0|1,0,1]=3 6256 B13R0.336 C#CCCCCCCCSCCCF 62a_100011934791_100153394163 [0,1,0,0,0,0|2,0,1]=4 6257 B13R0.336 C#CCCCCCCCSCCCF 62a_100153394163_100011934791 [0,1,0,0,0,0|2,0,1]=4 6258 B13R0.336 C#CCCCCCCCSCCCO 62a_100011215043_100153394163 [0,1,0,0,0,0|2,0,1]=4 6259 B13R0.336 C#CCCCCCCCSCCCO 62a_100153394163_100011215043 [0,1,0,0,0,0|2,0,1]=4 6260 B13R0.336 C#CCCCCCCCSCCOC 62a_100000233755_100153394163 [0,1,0,0,0,0|2,0,1]=4 6261 B13R0.336 C#CCCCCCCCSCCOC 62a_100153394163_100000233755 [0,1,0,0,0,0|2,0,1]=4 6262 B13R0.336 C#CCCCCCCCSCCSC 62a_100000212216_100153394163 [0,1,0,0,0,0|2,0,1]=4 6263 B13R0.336 C#CCCCCCCCSCCSC 62a_100153394163_100000751147 [0,1,0,0,0,0|2,0,1]=4 6264 B13R0.336 C#CCCCCCCCSCOCC 62a_100000739092_100153394163 [0,1,0,0,0,0|2,0,1]=4 6265 B13R0.336 C#CCCCCCCCSCOCC 62a_100153394163_100000739092 [0,1,0,0,0,0|2,0,1]=4 6266 B13R0.336 C#CCCCCCCNCCCC=C 2230a_100000700776_100012276617 [0,1,0,0,0,0|1,0,2]=4 6267 B13R0.336 C#CCCCCCCNCCCC=C 34a_100000700776_100012276617 [0,1,0,0,0,0|1,0,2]=4 6268 B13R0.336 C#CCCCCCCNCCCCC 2230a_100000209983_100012276617 [0,1,0,0,0,0|1,0,1]=3 6269 B13R0.336 C#CCCCCCCNCCCCO 2230a_100000750430_100012276617 [0,1,0,0,0,0|2,0,1]=4 6270 B13R0.336 C#CCCCCCCNCCCCO 34a_100000750430_100012276617 [0,1,0,0,0,0|2,0,1]=4 6271 B13R0.336 C#CCCCCCCNCCCOC 34a_100150723488_100012276617 [0,1,0,0,0,0|2,0,1]=4 6272 B13R0.336 C#CCCCCCCNCCCSC 2230a_100000749238_100012276617 [0,1,0,0,0,0|2,0,1]=4 6273 B13R0.336 C#CCCCCCCNCCOCC 2230a_102516460346_100012276617 [0,1,0,0,0,0|2,0,1]=4 6274 B13R0.336 C#CCCCCCCNCCOCC 34a_102516460346_100012276617 [0,1,0,0,0,0|2,0,1]=4 6275 B13R0.336 C#CCCCCCCNCCSCC 2230a_100000106463_100012276617 [0,1,0,0,0,0|2,0,1]=4 6276 B13R0.336 C#CCCCCCCOCCCC=C 34a_100000758997_100012276617 [0,1,0,0,0,0|1,0,2]=4 6277 B13R0.336 C#CCCCCCCOCCCC=C 34a_100011217361_100000757094 [0,1,0,0,0,0|1,0,2]=4 6278 B13R0.336 C#CCCCCCCOCCCC=C 7a_100000758997_100012276617 [0,1,0,0,0,0|1,0,2]=4 6279 B13R0.336 C#CCCCCCCOCCCC=C 7a_100011217361_100000757094 [0,1,0,0,0,0|1,0,2]=4 6280 B13R0.336 C#CCCCCCCOCCCC=O 7a_100011217361_200011292268 [0,1,0,0,0,0|0,0,2]=3 6281 B13R0.336 C#CCCCCCCOCCCCBr 34a_100011216708_100012276617 [0,1,0,0,0,0|2,0,1]=4 6282 B13R0.336 C#CCCCCCCOCCCCC 34a_100000210253_100012276617 [0,1,0,0,0,0|1,0,1]=3 6283 B13R0.336 C#CCCCCCCOCCCCC 34a_100011217361_100000718602 [0,1,0,0,0,0|1,0,1]=3 6284 B13R0.336 C#CCCCCCCOCCCCC 7a_100000210253_100012276617 [0,1,0,0,0,0|1,0,1]=3 6285 B13R0.336 C#CCCCCCCOCCCCC 7a_100011217361_100000210326 [0,1,0,0,0,0|1,0,1]=3 6286 B13R0.336 C#CCCCCCCOCCCCCl 34a_100000210776_100012276617 [0,1,0,0,0,0|2,0,1]=4 6287 B13R0.336 C#CCCCCCCOCCCCCl 7a_100000210776_100012276617 [0,1,0,0,0,0|2,0,1]=4 6288 B13R0.336 C#CCCCCCCOCCCCF 34a_100011217361_100000729493 [0,1,0,0,0,0|2,0,1]=4 6289 B13R0.336 C#CCCCCCCOCCCCF 34a_100011995726_100012276617 [0,1,0,0,0,0|2,0,1]=4 6290 B13R0.336 C#CCCCCCCOCCCCF 7a_100011217361_100000729493 [0,1,0,0,0,0|2,0,1]=4 6291 B13R0.336 C#CCCCCCCOCCCCF 7a_100011995726_100012276617 [0,1,0,0,0,0|2,0,1]=4 6292 B13R0.336 C#CCCCCCCOCCCCI 34a_200012148704_100012276617 [0,1,0,0,0,0|2,0,1]=4 6293 B13R0.336 C#CCCCCCCOCCCCN 34a_100000750430_100012276617 [0,1,0,0,0,0|2,0,1]=4 6294 B13R0.336 C#CCCCCCCOCCCCO 34a_100011217361_100011216708 [0,1,0,0,0,0|2,0,1]=4 6295 B13R0.336 C#CCCCCCCOCCCCO 7a_100011217361_100000210776 [0,1,0,0,0,0|2,0,1]=4 6296 B13R0.336 C#CCCCCCCOCCCNC 34a_100000213112_100012276617 [0,1,0,0,0,0|2,0,1]=4 6297 B13R0.336 C#CCCCCCCOCCCOC 34a_100000740835_100012276617 [0,1,0,0,0,0|2,0,1]=4 6298 B13R0.336 C#CCCCCCCOCCCOC 34a_100011217361_100000740836 [0,1,0,0,0,0|2,0,1]=4 6299 B13R0.336 C#CCCCCCCOCCCOC 7a_100011217361_100000740836 [0,1,0,0,0,0|2,0,1]=4 6300 B13R0.336 C#CCCCCCCOCCCSC 34a_100000690336_100012276617 [0,1,0,0,0,0|2,0,1]=4 6301 B13R0.336 C#CCCCCCCOCCCSC 7a_100000690336_100012276617 [0,1,0,0,0,0|2,0,1]=4 6302 B13R0.336 C#CCCCCCCOCCOCC 34a_100000210136_100012276617 [0,1,0,0,0,0|2,0,1]=4 6303 B13R0.336 C#CCCCCCCOCCOCC 34a_100011217361_100000210147 [0,1,0,0,0,0|2,0,1]=4 6304 B13R0.336 C#CCCCCCCOCCOCC 7a_100000210136_100012276617 [0,1,0,0,0,0|2,0,1]=4 6305 B13R0.336 C#CCCCCCCOCCOCC 7a_100011217361_100011215890 [0,1,0,0,0,0|2,0,1]=4 6306 B13R0.336 C#CCCCCCCOCCSCC 34a_100000212035_100012276617 [0,1,0,0,0,0|2,0,1]=4 6307 B13R0.336 C#CCCCCCCOCCSCC 34a_100011217361_100000757381 [0,1,0,0,0,0|2,0,1]=4 6308 B13R0.336 C#CCCCCCCOCCSCC 7a_100000212035_100012276617 [0,1,0,0,0,0|2,0,1]=4 6309 B13R0.336 C#CCCCCCCOCCSCC 7a_100011217361_100000757381 [0,1,0,0,0,0|2,0,1]=4 6310 B13R0.336 C#CCCCCCCSCCCC=C 62a_100011713584_100012276617 [0,1,0,0,0,0|1,0,2]=4 6311 B13R0.336 C#CCCCCCCSCCCC=C 62a_100012276617_100000757094 [0,1,0,0,0,0|1,0,2]=4 6312 B13R0.336 C#CCCCCCCSCCCC=O 62a_100012276617_200011292268 [0,1,0,0,0,0|0,0,2]=3 6313 B13R0.336 C#CCCCCCCSCCCC=O 62a_200011292268_100012276617 [0,1,0,0,0,0|0,0,2]=3 6314 B13R0.336 C#CCCCCCCSCCCCC 62a_100000210326_100012276617 [0,1,0,0,0,0|1,0,1]=3 6315 B13R0.336 C#CCCCCCCSCCCCC 62a_100012276617_100000210326 [0,1,0,0,0,0|1,0,1]=3 6316 B13R0.336 C#CCCCCCCSCCCCF 62a_100000729493_100012276617 [0,1,0,0,0,0|2,0,1]=4 6317 B13R0.336 C#CCCCCCCSCCCCF 62a_100012276617_100000729493 [0,1,0,0,0,0|2,0,1]=4 6318 B13R0.336 C#CCCCCCCSCCCCO 62a_100000210776_100012276617 [0,1,0,0,0,0|2,0,1]=4 6319 B13R0.336 C#CCCCCCCSCCCCO 62a_100012276617_100000210776 [0,1,0,0,0,0|2,0,1]=4 6320 B13R0.336 C#CCCCCCCSCCCOC 62a_100000709357_100012276617 [0,1,0,0,0,0|2,0,1]=4 6321 B13R0.336 C#CCCCCCCSCCCOC 62a_100012276617_100000709357 [0,1,0,0,0,0|2,0,1]=4 6322 B13R0.336 C#CCCCCCCSCCOCC 62a_100000210147_100012276617 [0,1,0,0,0,0|2,0,1]=4 6323 B13R0.336 C#CCCCCCCSCCOCC 62a_100012276617_100011215890 [0,1,0,0,0,0|2,0,1]=4 6324 B13R0.336 C#CCCCCCCSCCSCC 62a_100000757381_100012276617 [0,1,0,0,0,0|2,0,1]=4 6325 B13R0.336 C#CCCCCCCSCCSCC 62a_100012276617_100000757381 [0,1,0,0,0,0|2,0,1]=4 6326 B13R0.336 C#CCCCCCNCCCCC=C 2230a_100000703577_100012094781 [0,1,0,0,0,0|1,0,2]=4 6327 B13R0.336 C#CCCCCCNCCCCC=C 34a_100000703577_100012094781 [0,1,0,0,0,0|1,0,2]=4 6328 B13R0.336 C#CCCCCCNCCCCCC 2230a_100000210581_100012094781 [0,1,0,0,0,0|1,0,1]=3 6329 B13R0.336 C#CCCCCCNCCCCCO 2230a_100000762737_100012094781 [0,1,0,0,0,0|2,0,1]=4 6330 B13R0.336 C#CCCCCCNCCCCCO 34a_100000762737_100012094781 [0,1,0,0,0,0|2,0,1]=4 6331 B13R0.336 C#CCCCCCNCCCOCC 2230a_100000210961_100012094781 [0,1,0,0,0,0|2,0,1]=4 6332 B13R0.336 C#CCCCCCNCCCOCC 34a_100000210961_100012094781 [0,1,0,0,0,0|2,0,1]=4 6333 B13R0.336 C#CCCCCCNCCOCCC 2230a_100161115042_100012094781 [0,1,0,0,0,0|2,0,1]=4 6334 B13R0.336 C#CCCCCCNCCOCCC 34a_100161115042_100012094781 [0,1,0,0,0,0|2,0,1]=4 6335 B13R0.336 C#CCCCCCNCCSCCC 2230a_100020603323_100012094781 [0,1,0,0,0,0|2,0,1]=4 6336 B13R0.336 C#CCCCCCOCCCCC=C 34a_100000766645_100012094781 [0,1,0,0,0,0|1,0,2]=4 6337 B13R0.336 C#CCCCCCOCCCCC=C 34a_100000766912_100011215482 [0,1,0,0,0,0|1,0,2]=4 6338 B13R0.336 C#CCCCCCOCCCCC=C 7a_100000766645_100012094781 [0,1,0,0,0,0|1,0,2]=4 6339 B13R0.336 C#CCCCCCOCCCCC=C 7a_100000766912_100011215482 [0,1,0,0,0,0|1,0,2]=4 6340 B13R0.336 C#CCCCCCOCCCCC=O 7a_100000766912_100000139335 [0,1,0,0,0,0|0,0,2]=3 6341 B13R0.336 C#CCCCCCOCCCCCBr 34a_100000746331_100012094781 [0,1,0,0,0,0|2,0,1]=4 6342 B13R0.336 C#CCCCCCOCCCCCBr 7a_100000746331_100012094781 [0,1,0,0,0,0|2,0,1]=4 6343 B13R0.336 C#CCCCCCOCCCCCC 34a_100000210259_100012094781 [0,1,0,0,0,0|1,0,1]=3 6344 B13R0.336 C#CCCCCCOCCCCCC 34a_100000766912_100000210314 [0,1,0,0,0,0|1,0,1]=3 6345 B13R0.336 C#CCCCCCOCCCCCC 7a_100000210259_100012094781 [0,1,0,0,0,0|1,0,1]=3 6346 B13R0.336 C#CCCCCCOCCCCCC 7a_100000766912_100000210314 [0,1,0,0,0,0|1,0,1]=3 6347 B13R0.336 C#CCCCCCOCCCCCCl 34a_100000746330_100012094781 [0,1,0,0,0,0|2,0,1]=4 6348 B13R0.336 C#CCCCCCOCCCCCCl 7a_100000746330_100012094781 [0,1,0,0,0,0|2,0,1]=4 6349 B13R0.336 C#CCCCCCOCCCCCF 34a_100000766912_100000729378 [0,1,0,0,0,0|2,0,1]=4 6350 B13R0.336 C#CCCCCCOCCCCCF 7a_100000766912_100000729378 [0,1,0,0,0,0|2,0,1]=4 6351 B13R0.336 C#CCCCCCOCCCCCI 34a_200012148887_100012094781 [0,1,0,0,0,0|2,0,1]=4 6352 B13R0.336 C#CCCCCCOCCCCCI 7a_200012148887_100012094781 [0,1,0,0,0,0|2,0,1]=4 6353 B13R0.336 C#CCCCCCOCCCCCN 34a_100000762737_100012094781 [0,1,0,0,0,0|2,0,1]=4 6354 B13R0.336 C#CCCCCCOCCCCCO 34a_100000766912_100000746330 [0,1,0,0,0,0|2,0,1]=4 6355 B13R0.336 C#CCCCCCOCCCCCO 7a_100000766912_100000746330 [0,1,0,0,0,0|2,0,1]=4 6356 B13R0.336 C#CCCCCCOCCCCOC 34a_100000740925_100012094781 [0,1,0,0,0,0|2,0,1]=4 6357 B13R0.336 C#CCCCCCOCCCCOC 34a_100000766912_100000755781 [0,1,0,0,0,0|2,0,1]=4 6358 B13R0.336 C#CCCCCCOCCCCOC 7a_100000766912_100000730899 [0,1,0,0,0,0|2,0,1]=4 6359 B13R0.336 C#CCCCCCOCCCCSC 34a_100011217163_100012094781 [0,1,0,0,0,0|2,0,1]=4 6360 B13R0.336 C#CCCCCCOCCCCSC 7a_100011217163_100012094781 [0,1,0,0,0,0|2,0,1]=4 6361 B13R0.336 C#CCCCCCOCCCOCC 34a_100000757476_100012094781 [0,1,0,0,0,0|2,0,1]=4 6362 B13R0.336 C#CCCCCCOCCCOCC 34a_100000766912_100012232248 [0,1,0,0,0,0|2,0,1]=4 6363 B13R0.336 C#CCCCCCOCCCOCC 7a_100000757476_100012094781 [0,1,0,0,0,0|2,0,1]=4 6364 B13R0.336 C#CCCCCCOCCCOCC 7a_100000766912_100012232248 [0,1,0,0,0,0|2,0,1]=4 6365 B13R0.336 C#CCCCCCOCCCSCC 34a_100011216438_100012094781 [0,1,0,0,0,0|2,0,1]=4 6366 B13R0.336 C#CCCCCCOCCCSCC 7a_100011216438_100012094781 [0,1,0,0,0,0|2,0,1]=4 6367 B13R0.336 C#CCCCCCOCCOCCC 34a_100000752267_100012094781 [0,1,0,0,0,0|2,0,1]=4 6368 B13R0.336 C#CCCCCCOCCOCCC 34a_100000766912_100011215938 [0,1,0,0,0,0|2,0,1]=4 6369 B13R0.336 C#CCCCCCOCCOCCC 7a_100000752267_100012094781 [0,1,0,0,0,0|2,0,1]=4 6370 B13R0.336 C#CCCCCCOCCOCCC 7a_100000766912_100011215938 [0,1,0,0,0,0|2,0,1]=4 6371 B13R0.336 C#CCCCCCOCCSCCC 34a_200000230433_100012094781 [0,1,0,0,0,0|2,0,1]=4 6372 B13R0.336 C#CCCCCCOCCSCCC 7a_200000230433_100012094781 [0,1,0,0,0,0|2,0,1]=4 6373 B13R0.336 C#CCCCCCOCOCCCC 34a_100000766912_100011995733 [0,1,0,0,0,0|2,0,1]=4 6374 B13R0.336 C#CCCCCCSCCCCC=C 62a_100011215482_100012094781 [0,1,0,0,0,0|1,0,2]=4 6375 B13R0.336 C#CCCCCCSCCCCC=C 62a_100012094781_100011215482 [0,1,0,0,0,0|1,0,2]=4 6376 B13R0.336 C#CCCCCCSCCCCC=O 62a_100000139335_100012094781 [0,1,0,0,0,0|0,0,2]=3 6377 B13R0.336 C#CCCCCCSCCCCC=O 62a_100012094781_100000139335 [0,1,0,0,0,0|0,0,2]=3 6378 B13R0.336 C#CCCCCCSCCCCCC 62a_100000210314_100012094781 [0,1,0,0,0,0|1,0,1]=3 6379 B13R0.336 C#CCCCCCSCCCCCC 62a_100012094781_100000210757 [0,1,0,0,0,0|1,0,1]=3 6380 B13R0.336 C#CCCCCCSCCCCCF 62a_100000729378_100012094781 [0,1,0,0,0,0|2,0,1]=4 6381 B13R0.336 C#CCCCCCSCCCCCF 62a_100012094781_100000729378 [0,1,0,0,0,0|2,0,1]=4 6382 B13R0.336 C#CCCCCCSCCCCCO 62a_100000746330_100012094781 [0,1,0,0,0,0|2,0,1]=4 6383 B13R0.336 C#CCCCCCSCCCCCO 62a_100012094781_100000746330 [0,1,0,0,0,0|2,0,1]=4 6384 B13R0.336 C#CCCCCCSCCCCOC 62a_100000730899_100012094781 [0,1,0,0,0,0|2,0,1]=4 6385 B13R0.336 C#CCCCCCSCCCCOC 62a_100012094781_100000730899 [0,1,0,0,0,0|2,0,1]=4 6386 B13R0.336 C#CCCCCCSCCCOCC 62a_100012094781_100012232248 [0,1,0,0,0,0|2,0,1]=4 6387 B13R0.336 C#CCCCCCSCCCOCC 62a_100012232248_100012094781 [0,1,0,0,0,0|2,0,1]=4 6388 B13R0.336 C#CCCCCCSCCOCCC 62a_100011215938_100012094781 [0,1,0,0,0,0|2,0,1]=4 6389 B13R0.336 C#CCCCCCSCCOCCC 62a_100012094781_100011215938 [0,1,0,0,0,0|2,0,1]=4 6390 B13R0.336 C#CCCCCCSCOCCCC 62a_100011995733_100012094781 [0,1,0,0,0,0|2,0,1]=4 6391 B13R0.336 C#CCCCCCSCOCCCC 62a_100012094781_100011995733 [0,1,0,0,0,0|2,0,1]=4 6392 B13R0.336 C#CCCCCNCCCCCC=C 2230a_100000706060_100000700193 [0,1,0,0,0,0|1,0,2]=4 6393 B13R0.336 C#CCCCCNCCCCCC=C 34a_100000706060_100000700193 [0,1,0,0,0,0|1,0,2]=4 6394 B13R0.336 C#CCCCCNCCCCCC=O 2230a_100000706060_100000139337 [0,1,0,0,0,0|0,0,2]=3 6395 B13R0.336 C#CCCCCNCCCCCCC 2230a_100000229938_100010269958 [0,1,0,0,0,0|1,0,1]=3 6396 B13R0.336 C#CCCCCNCCCCCCC 2230a_100000706060_100000210681 [0,1,0,0,0,0|1,0,1]=3 6397 B13R0.336 C#CCCCCNCCCCCCC 34a_100000706060_100000210614 [0,1,0,0,0,0|1,0,1]=3 6398 B13R0.336 C#CCCCCNCCCCCCF 2230a_100000706060_100015922095 [0,1,0,0,0,0|2,0,1]=4 6399 B13R0.336 C#CCCCCNCCCCCCF 34a_100000706060_100015922095 [0,1,0,0,0,0|2,0,1]=4 6400 B13R0.336 C#CCCCCNCCCCCCO 2230a_100000686447_100010269958 [0,1,0,0,0,0|2,0,1]=4 6401 B13R0.336 C#CCCCCNCCCCCCO 2230a_100000706060_100000766143 [0,1,0,0,0,0|2,0,1]=4 6402 B13R0.336 C#CCCCCNCCCCCCO 34a_100000686447_100010269958 [0,1,0,0,0,0|2,0,1]=4 6403 B13R0.336 C#CCCCCNCCCCCCO 34a_100000706060_100000766143 [0,1,0,0,0,0|2,0,1]=4 6404 B13R0.336 C#CCCCCNCCCCCOC 2230a_100000747528_100010269958 [0,1,0,0,0,0|2,0,1]=4 6405 B13R0.336 C#CCCCCNCCCCCOC 34a_100000747528_100010269958 [0,1,0,0,0,0|2,0,1]=4 6406 B13R0.336 C#CCCCCNCCCOCCC 2230a_100011217757_100010269958 [0,1,0,0,0,0|2,0,1]=4 6407 B13R0.336 C#CCCCCNCCCOCCC 34a_100011217757_100010269958 [0,1,0,0,0,0|2,0,1]=4 6408 B13R0.336 C#CCCCCNCCOCCCC 2230a_100000706060_100000743108 [0,1,0,0,0,0|2,0,1]=4 6409 B13R0.336 C#CCCCCNCCOCCCC 34a_100000706060_100000743108 [0,1,0,0,0,0|2,0,1]=4 6410 B13R0.336 C#CCCCCNCCSCCCC 2230a_100025743550_100010269958 [0,1,0,0,0,0|2,0,1]=4 6411 B13R0.336 C#CCCCCOCCCCCC=C 34a_100000766709_100000700193 [0,1,0,0,0,0|1,0,2]=4 6412 B13R0.336 C#CCCCCOCCCCCC=C 34a_100011216702_100010269958 [0,1,0,0,0,0|1,0,2]=4 6413 B13R0.336 C#CCCCCOCCCCCC=C 7a_100000766709_100000700193 [0,1,0,0,0,0|1,0,2]=4 6414 B13R0.336 C#CCCCCOCCCCCC=C 7a_100011216702_100010269958 [0,1,0,0,0,0|1,0,2]=4 6415 B13R0.336 C#CCCCCOCCCCCC=O 7a_100000766709_100000139337 [0,1,0,0,0,0|0,0,2]=3 6416 B13R0.336 C#CCCCCOCCCCCCBr 34a_100011215345_100010269958 [0,1,0,0,0,0|2,0,1]=4 6417 B13R0.336 C#CCCCCOCCCCCCBr 7a_100011215345_100010269958 [0,1,0,0,0,0|2,0,1]=4 6418 B13R0.336 C#CCCCCOCCCCCCC 34a_100000210272_100010269958 [0,1,0,0,0,0|1,0,1]=3 6419 B13R0.336 C#CCCCCOCCCCCCC 34a_100000766709_100000210614 [0,1,0,0,0,0|1,0,1]=3 6420 B13R0.336 C#CCCCCOCCCCCCC 7a_100000210272_100010269958 [0,1,0,0,0,0|1,0,1]=3 6421 B13R0.336 C#CCCCCOCCCCCCC 7a_100000766709_100000210614 [0,1,0,0,0,0|1,0,1]=3 6422 B13R0.336 C#CCCCCOCCCCCCCl 34a_100000766143_100010269958 [0,1,0,0,0,0|2,0,1]=4 6423 B13R0.336 C#CCCCCOCCCCCCCl 7a_100000766143_100010269958 [0,1,0,0,0,0|2,0,1]=4 6424 B13R0.336 C#CCCCCOCCCCCCF 34a_100000732779_100010269958 [0,1,0,0,0,0|2,0,1]=4 6425 B13R0.336 C#CCCCCOCCCCCCF 34a_100000766709_100015922095 [0,1,0,0,0,0|2,0,1]=4 6426 B13R0.336 C#CCCCCOCCCCCCF 7a_100000732779_100010269958 [0,1,0,0,0,0|2,0,1]=4 6427 B13R0.336 C#CCCCCOCCCCCCF 7a_100000766709_100015922095 [0,1,0,0,0,0|2,0,1]=4 6428 B13R0.336 C#CCCCCOCCCCCCN 34a_100000686447_100010269958 [0,1,0,0,0,0|2,0,1]=4 6429 B13R0.336 C#CCCCCOCCCCCCO 34a_100000766709_100000766143 [0,1,0,0,0,0|2,0,1]=4 6430 B13R0.336 C#CCCCCOCCCCCCO 7a_100000766709_100000766143 [0,1,0,0,0,0|2,0,1]=4 6431 B13R0.336 C#CCCCCOCCCCCNC 34a_100000722520_100010269958 [0,1,0,0,0,0|2,0,1]=4 6432 B13R0.336 C#CCCCCOCCOCCCC 34a_100000210238_100010269958 [0,1,0,0,0,0|2,0,1]=4 6433 B13R0.336 C#CCCCCOCCOCCCC 34a_100000766709_100000743108 [0,1,0,0,0,0|2,0,1]=4 6434 B13R0.336 C#CCCCCOCCOCCCC 7a_100000210238_100010269958 [0,1,0,0,0,0|2,0,1]=4 6435 B13R0.336 C#CCCCCOCCOCCCC 7a_100000766709_100000743108 [0,1,0,0,0,0|2,0,1]=4 6436 B13R0.336 C#CCCCCOCCSCCCC 34a_200000230436_100010269958 [0,1,0,0,0,0|2,0,1]=4 6437 B13R0.336 C#CCCCCOCCSCCCC 7a_200000230436_100010269958 [0,1,0,0,0,0|2,0,1]=4 6438 B13R0.336 C#CCCCCSCCCCCC=C 62a_100000700193_100010269958 [0,1,0,0,0,0|1,0,2]=4 6439 B13R0.336 C#CCCCCSCCCCCC=C 62a_100010269958_100000700193 [0,1,0,0,0,0|1,0,2]=4 6440 B13R0.336 C#CCCCCSCCCCCC=O 62a_100000139337_100010269958 [0,1,0,0,0,0|0,0,2]=3 6441 B13R0.336 C#CCCCCSCCCCCC=O 62a_100010269958_100000139337 [0,1,0,0,0,0|0,0,2]=3 6442 B13R0.336 C#CCCCCSCCCCCCC 62a_100000210614_100010269958 [0,1,0,0,0,0|1,0,1]=3 6443 B13R0.336 C#CCCCCSCCCCCCC 62a_100010269958_100000210316 [0,1,0,0,0,0|1,0,1]=3 6444 B13R0.336 C#CCCCCSCCCCCCF 62a_100010269958_100015922095 [0,1,0,0,0,0|2,0,1]=4 6445 B13R0.336 C#CCCCCSCCCCCCF 62a_100015922095_100010269958 [0,1,0,0,0,0|2,0,1]=4 6446 B13R0.336 C#CCCCCSCCCCCCO 62a_100000766143_100010269958 [0,1,0,0,0,0|2,0,1]=4 6447 B13R0.336 C#CCCCCSCCCCCCO 62a_100010269958_100000766143 [0,1,0,0,0,0|2,0,1]=4 6448 B13R0.336 C#CCCCCSCCOCCCC 62a_100000743108_100010269958 [0,1,0,0,0,0|2,0,1]=4 6449 B13R0.336 C#CCCCCSCCOCCCC 62a_100010269958_100000743108 [0,1,0,0,0,0|2,0,1]=4 6450 B13R0.336 C#CCCCNCCCCCCC=C 34a_100000718082_100011215473 [0,1,0,0,0,0|1,0,2]=4 6451 B13R0.336 C#CCCCNCCCCCCCC 2230a_100000229939_100000731252 [0,1,0,0,0,0|1,0,1]=3 6452 B13R0.336 C#CCCCNCCCCCCCC 34a_100000229939_100000695029 [0,1,0,0,0,0|1,0,1]=3 6453 B13R0.336 C#CCCCNCCCCCCCC 34a_100000718082_100000210759 [0,1,0,0,0,0|1,0,1]=3 6454 B13R0.336 C#CCCCNCCCCCCCO 2230a_100011996573_100000731252 [0,1,0,0,0,0|2,0,1]=4 6455 B13R0.336 C#CCCCNCCCCCCCO 34a_100000718082_100000760002 [0,1,0,0,0,0|2,0,1]=4 6456 B13R0.336 C#CCCCNCCCCCCCO 34a_100011996573_100000695029 [0,1,0,0,0,0|2,0,1]=4 6457 B13R0.336 C#CCCCNCCCCCCOC 34a_100000718082_100011998445 [0,1,0,0,0,0|2,0,1]=4 6458 B13R0.336 C#CCCCNCCCOCCCC 2230a_200000211371_100000731252 [0,1,0,0,0,0|2,0,1]=4 6459 B13R0.336 C#CCCCNCCCOCCCC 34a_200000211371_100000695029 [0,1,0,0,0,0|2,0,1]=4 6460 B13R0.336 C#CCCCOCCCCCCC=C 34a_100000215630_100011215473 [0,1,0,0,0,0|1,0,2]=4 6461 B13R0.336 C#CCCCOCCCCCCC=C 34a_200011216477_100000695029 [0,1,0,0,0,0|1,0,2]=4 6462 B13R0.336 C#CCCCOCCCCCCC=C 7a_100000215630_100011215473 [0,1,0,0,0,0|1,0,2]=4 6463 B13R0.336 C#CCCCOCCCCCCC=C 7a_200011216477_100011215417 [0,1,0,0,0,0|1,0,2]=4 6464 B13R0.336 C#CCCCOCCCCCCCBr 34a_100000760002_100000695029 [0,1,0,0,0,0|2,0,1]=4 6465 B13R0.336 C#CCCCOCCCCCCCBr 7a_100000760002_100011215417 [0,1,0,0,0,0|2,0,1]=4 6466 B13R0.336 C#CCCCOCCCCCCCC 34a_100000210232_100000695029 [0,1,0,0,0,0|1,0,1]=3 6467 B13R0.336 C#CCCCOCCCCCCCC 34a_100000215630_100000210759 [0,1,0,0,0,0|1,0,1]=3 6468 B13R0.336 C#CCCCOCCCCCCCC 7a_100000210232_100011215417 [0,1,0,0,0,0|1,0,1]=3 6469 B13R0.336 C#CCCCOCCCCCCCC 7a_100000215630_100000210759 [0,1,0,0,0,0|1,0,1]=3 6470 B13R0.336 C#CCCCOCCCCCCCN 34a_100011996573_100000695029 [0,1,0,0,0,0|2,0,1]=4 6471 B13R0.336 C#CCCCOCCCCCCCO 34a_100000215630_100000760002 [0,1,0,0,0,0|2,0,1]=4 6472 B13R0.336 C#CCCCOCCCCCCCO 7a_100000215630_100000760002 [0,1,0,0,0,0|2,0,1]=4 6473 B13R0.336 C#CCCCOCCCCCCOC 34a_100000215630_100011998445 [0,1,0,0,0,0|2,0,1]=4 6474 B13R0.336 C#CCCCOCCCCCCOC 34a_200012092642_100000695029 [0,1,0,0,0,0|2,0,1]=4 6475 B13R0.336 C#CCCCOCCCCCCOC 7a_100000215630_100011998445 [0,1,0,0,0,0|2,0,1]=4 6476 B13R0.336 C#CCCCOCCCCCCOC 7a_200012092642_100011215417 [0,1,0,0,0,0|2,0,1]=4 6477 B13R0.336 C#CCCCOCCCOCCCC 34a_200011215613_100000695029 [0,1,0,0,0,0|2,0,1]=4 6478 B13R0.336 C#CCCCOCCCOCCCC 7a_200011215613_100011215417 [0,1,0,0,0,0|2,0,1]=4 6479 B13R0.336 C#CCCCOCCNCCCCC 34a_100000224656_100000695029 [0,1,0,0,0,0|2,0,1]=4 6480 B13R0.336 C#CCCCOCCOCCCCC 34a_100011215259_100000695029 [0,1,0,0,0,0|2,0,1]=4 6481 B13R0.336 C#CCCCOCCOCCCCC 7a_100011215259_100011215417 [0,1,0,0,0,0|2,0,1]=4 6482 B13R0.336 C#CCCCSCCCCCCC=C 62a_100011215417_100011215473 [0,1,0,0,0,0|1,0,2]=4 6483 B13R0.336 C#CCCCSCCCCCCC=C 62a_100011215473_100011215417 [0,1,0,0,0,0|1,0,2]=4 6484 B13R0.336 C#CCCCSCCCCCCCC 62a_100000210759_100011215417 [0,1,0,0,0,0|1,0,1]=3 6485 B13R0.336 C#CCCCSCCCCCCCC 62a_100011215417_100000210317 [0,1,0,0,0,0|1,0,1]=3 6486 B13R0.336 C#CCCCSCCCCCCCO 62a_100000760002_100011215417 [0,1,0,0,0,0|2,0,1]=4 6487 B13R0.336 C#CCCCSCCCCCCCO 62a_100011215417_100000760002 [0,1,0,0,0,0|2,0,1]=4 6488 B13R0.336 C#CCCCSCCCCCCOC 62a_100011215417_100011998445 [0,1,0,0,0,0|2,0,1]=4 6489 B13R0.336 C#CCCCSCCCCCCOC 62a_100011998445_100011215417 [0,1,0,0,0,0|2,0,1]=4 6490 B13R0.336 C#CCCNCCCCCCCC=C 34a_100000755551_100012355270 [0,1,0,0,0,0|1,0,2]=4 6491 B13R0.336 C#CCCNCCCCCCCCC 2230a_100000212291_100000688953 [0,1,0,0,0,0|1,0,1]=3 6492 B13R0.336 C#CCCNCCCCCCCCC 34a_100000212291_100000688953 [0,1,0,0,0,0|1,0,1]=3 6493 B13R0.336 C#CCCNCCCCCCCCC 34a_100000755551_100011214924 [0,1,0,0,0,0|1,0,1]=3 6494 B13R0.336 C#CCCNCCCCCCCCO 2230a_102515433106_100000688953 [0,1,0,0,0,0|2,0,1]=4 6495 B13R0.336 C#CCCNCCCCCCCCO 34a_100000755551_100000033203 [0,1,0,0,0,0|2,0,1]=4 6496 B13R0.336 C#CCCNCCCCCCCCO 34a_102515433106_100000688953 [0,1,0,0,0,0|2,0,1]=4 6497 B13R0.336 C#CCCOCCCCCCCC=C 34a_100000730831_100000688953 [0,1,0,0,0,0|1,0,2]=4 6498 B13R0.336 C#CCCOCCCCCCCC=C 34a_100011215631_100012355270 [0,1,0,0,0,0|1,0,2]=4 6499 B13R0.336 C#CCCOCCCCCCCC=C 7a_100000730831_100000688953 [0,1,0,0,0,0|1,0,2]=4 6500 B13R0.336 C#CCCOCCCCCCCCBr 34a_100009813846_100000688953 [0,1,0,0,0,0|2,0,1]=4 6501 B13R0.336 C#CCCOCCCCCCCCBr 7a_100009813846_100000688953 [0,1,0,0,0,0|2,0,1]=4 6502 B13R0.336 C#CCCOCCCCCCCCC 34a_100000210712_100000688953 [0,1,0,0,0,0|1,0,1]=3 6503 B13R0.336 C#CCCOCCCCCCCCC 34a_100011215631_100011214924 [0,1,0,0,0,0|1,0,1]=3 6504 B13R0.336 C#CCCOCCCCCCCCC 7a_100000210712_100000688953 [0,1,0,0,0,0|1,0,1]=3 6505 B13R0.336 C#CCCOCCCCCCCCCl 34a_100000033203_100000688953 [0,1,0,0,0,0|2,0,1]=4 6506 B13R0.336 C#CCCOCCCCCCCCCl 7a_100000033203_100000688953 [0,1,0,0,0,0|2,0,1]=4 6507 B13R0.336 C#CCCOCCCCCCCCN 34a_102515433106_100000688953 [0,1,0,0,0,0|2,0,1]=4 6508 B13R0.336 C#CCCOCCCCCCCCO 34a_100011215631_100000033203 [0,1,0,0,0,0|2,0,1]=4 6509 B13R0.336 C#CCCOCCCCNCCCC 34a_200011216965_100000688953 [0,1,0,0,0,0|2,0,1]=4 6510 B13R0.336 C#CCCOCCCCOCCCC 34a_200000760531_100000688953 [0,1,0,0,0,0|2,0,1]=4 6511 B13R0.336 C#CCCOCCCCOCCCC 7a_200000760531_100000688953 [0,1,0,0,0,0|2,0,1]=4 6512 B13R0.336 C#CCCOCCOCCCCCC 34a_100000691444_100000688953 [0,1,0,0,0,0|2,0,1]=4 6513 B13R0.336 C#CCCOCCOCCCCCC 7a_100000691444_100000688953 [0,1,0,0,0,0|2,0,1]=4 6514 B13R0.336 C#CCCSCCCCCCCC=C 62a_100000688953_100012355270 [0,1,0,0,0,0|1,0,2]=4 6515 B13R0.336 C#CCCSCCCCCCCC=C 62a_100012355270_100000688953 [0,1,0,0,0,0|1,0,2]=4 6516 B13R0.336 C#CCCSCCCCCCCCC 62a_100000688953_100000210670 [0,1,0,0,0,0|1,0,1]=3 6517 B13R0.336 C#CCCSCCCCCCCCO 62a_100000033203_100000688953 [0,1,0,0,0,0|2,0,1]=4 6518 B13R0.336 C#CCCSCCCCCCCCO 62a_100000688953_100000033203 [0,1,0,0,0,0|2,0,1]=4 6519 B13R0.336 C#CCNCCCCCCCCC=C 34a_100000212058_100011933949 [0,1,0,0,0,0|1,0,2]=4 6520 B13R0.336 C#CCNCCCCCCCCCC 2230a_100000684558_100000038162 [0,1,0,0,0,0|1,0,1]=3 6521 B13R0.336 C#CCNCCCCCCCCCC 34a_100000212058_100000210320 [0,1,0,0,0,0|1,0,1]=3 6522 B13R0.336 C#CCNCCCCCCCCCC 34a_100000684558_100000184674 [0,1,0,0,0,0|1,0,1]=3 6523 B13R0.336 C#CCNCCCCCCCCCO 2230a_100000078944_100000038162 [0,1,0,0,0,0|2,0,1]=4 6524 B13R0.336 C#CCNCCCCCCCCCO 34a_100000078944_100000184674 [0,1,0,0,0,0|2,0,1]=4 6525 B13R0.336 C#CCNCCCCCCCCCO 34a_100000212058_100009813782 [0,1,0,0,0,0|2,0,1]=4 6526 B13R0.336 C#CCOCCCCCCCCC=C 34a_100000210247_100011933949 [0,1,0,0,0,0|1,0,2]=4 6527 B13R0.336 C#CCOCCCCCCCCC=C 34a_100011215194_100000184674 [0,1,0,0,0,0|1,0,2]=4 6528 B13R0.336 C#CCOCCCCCCCCC=C 7a_100011215194_100000038162 [0,1,0,0,0,0|1,0,2]=4 6529 B13R0.336 C#CCOCCCCCCCCCBr 34a_100009813782_100000184674 [0,1,0,0,0,0|2,0,1]=4 6530 B13R0.336 C#CCOCCCCCCCCCBr 7a_100009813782_100000038162 [0,1,0,0,0,0|2,0,1]=4 6531 B13R0.336 C#CCOCCCCCCCCCC 34a_100000210247_100000210320 [0,1,0,0,0,0|1,0,1]=3 6532 B13R0.336 C#CCOCCCCCCCCCC 34a_100000210711_100000184674 [0,1,0,0,0,0|1,0,1]=3 6533 B13R0.336 C#CCOCCCCCCCCCC 7a_100000210711_100000038162 [0,1,0,0,0,0|1,0,1]=3 6534 B13R0.336 C#CCOCCCCCCCCCCl 34a_100009868337_100000184674 [0,1,0,0,0,0|2,0,1]=4 6535 B13R0.336 C#CCOCCCCCCCCCCl 7a_100009868337_100000038162 [0,1,0,0,0,0|2,0,1]=4 6536 B13R0.336 C#CCOCCCCCCCCCN 34a_100000078944_100000184674 [0,1,0,0,0,0|2,0,1]=4 6537 B13R0.336 C#CCOCCCCCCCCCO 34a_100000210247_100009813782 [0,1,0,0,0,0|2,0,1]=4 6538 B13R0.336 C#CCOCCCCCCOCC=O 34a_200011021349_200009817547 [0,1,0,0,0,0|1,0,2]=4 6539 B13R0.336 C#CCOCCCCCCOCC=O 7a_200011021349_200015260668 [0,1,0,0,0,0|1,0,2]=4 6540 B13R0.336 C#CCOCCCCCCOCCC 34a_200011021349_100000210303 [0,1,0,0,0,0|2,0,1]=4 6541 B13R0.336 C#CCOCCCCCCOCCC 7a_200011021349_100000210303 [0,1,0,0,0,0|2,0,1]=4 6542 B13R0.336 C#CCOCCNCCCCCC=O 2230a_100000700922_100000139337 [0,1,0,0,0,0|1,0,2]=4 6543 B13R0.336 C#CCOCCNCCCCCCC 2230a_100000229938_100010402529 [0,1,0,0,0,0|2,0,1]=4 6544 B13R0.336 C#CCOCCNCCCCCCC 2230a_100000700922_100000210681 [0,1,0,0,0,0|2,0,1]=4 6545 B13R0.336 C#CCOCCNCCCCCCC 34a_100000700922_100000210614 [0,1,0,0,0,0|2,0,1]=4 6546 B13R0.336 C#CCOCCOCCCCCC=O 7a_100000054580_100000139337 [0,1,0,0,0,0|1,0,2]=4 6547 B13R0.336 C#CCOCCOCCCCCCC 34a_100000054580_100000210614 [0,1,0,0,0,0|2,0,1]=4 6548 B13R0.336 C#CCOCCOCCCCCCC 34a_100000210272_100010402529 [0,1,0,0,0,0|2,0,1]=4 6549 B13R0.336 C#CCOCCOCCCCCCC 7a_100000054580_100000210614 [0,1,0,0,0,0|2,0,1]=4 6550 B13R0.336 C#CCOCCOCCCCCCC 7a_100000210272_100010402529 [0,1,0,0,0,0|2,0,1]=4 6551 B13R0.336 C#CCOCCSCCCCCC=O 62a_100000139337_100010402529 [0,1,0,0,0,0|1,0,2]=4 6552 B13R0.336 C#CCOCCSCCCCCC=O 62a_100010402529_100000139337 [0,1,0,0,0,0|1,0,2]=4 6553 B13R0.336 C#CCOCCSCCCCCCC 62a_100000210614_100010402529 [0,1,0,0,0,0|2,0,1]=4 6554 B13R0.336 C#CCOCCSCCCCCCC 62a_100010402529_100000210316 [0,1,0,0,0,0|2,0,1]=4 6555 B13R0.336 C#CCSCCCCCCCCC=C 62a_100000038162_100011933949 [0,1,0,0,0,0|1,0,2]=4 6556 B13R0.336 C#CCSCCCCCCCCCC 62a_100000038162_100000210320 [0,1,0,0,0,0|1,0,1]=3 6557 B13R0.336 C#CCSCCCCCCCCCO 62a_100000038162_100009813782 [0,1,0,0,0,0|2,0,1]=4 6558 B13R0.336 C/C=C/CCOCCCCCCCC 34a_100016278192_100000210759 [0,1,0,0,0,0|1,0,1]=3 6559 B13R0.336 C/C=C/CCOCCCCCCCO 34a_100016278192_100000760002 [0,1,0,0,0,0|2,0,1]=4 6560 B13R0.336 C/C=C/CCOCCCCCCOC 34a_100016278192_100011998445 [0,1,0,0,0,0|2,0,1]=4 6561 B13R0.336 C/C=C/CNCCCCCCCCC 34a_100000212291_100102629194 [0,1,0,0,0,0|1,0,1]=3 6562 B13R0.336 C/C=C/CNCCCCCCCCO 34a_102515433106_100102629194 [0,1,0,0,0,0|2,0,1]=4 6563 B13R0.336 C/C=C/COCCCCCCCCBr 34a_100009813846_100102629194 [0,1,0,0,0,0|2,0,1]=4 6564 B13R0.336 C/C=C/COCCCCCCCCBr 7a_100009813846_100102629194 [0,1,0,0,0,0|2,0,1]=4 6565 B13R0.336 C/C=C/COCCCCCCCCC 34a_100000210712_100102629194 [0,1,0,0,0,0|1,0,1]=3 6566 B13R0.336 C/C=C/COCCCCCCCCC 34a_100016270725_100011214924 [0,1,0,0,0,0|1,0,1]=3 6567 B13R0.336 C/C=C/COCCCCCCCCC 7a_100000210712_100102629194 [0,1,0,0,0,0|1,0,1]=3 6568 B13R0.336 C/C=C/COCCCCCCCCCl 34a_100000033203_100102629194 [0,1,0,0,0,0|2,0,1]=4 6569 B13R0.336 C/C=C/COCCCCCCCCCl 7a_100000033203_100102629194 [0,1,0,0,0,0|2,0,1]=4 6570 B13R0.336 C/C=C/COCCCCCCCCN 34a_102515433106_100102629194 [0,1,0,0,0,0|2,0,1]=4 6571 B13R0.336 C/C=C/COCCCCCCCCO 34a_100016270725_100000033203 [0,1,0,0,0,0|2,0,1]=4 6572 B13R0.336 C/C=C/COCCCCNCCCC 34a_200011216965_100102629194 [0,1,0,0,0,0|2,0,1]=4 6573 B13R0.336 C/C=C/COCCCCOCCCC 34a_200000760531_100102629194 [0,1,0,0,0,0|2,0,1]=4 6574 B13R0.336 C/C=C/COCCCCOCCCC 7a_200000760531_100102629194 [0,1,0,0,0,0|2,0,1]=4 6575 B13R0.336 C/C=C/COCCOCCCCCC 34a_100000691444_100102629194 [0,1,0,0,0,0|2,0,1]=4 6576 B13R0.336 C/C=C/COCCOCCCCCC 7a_100000691444_100102629194 [0,1,0,0,0,0|2,0,1]=4 6577 B13R0.336 C/C=C/CSCCCCCCCCC 62a_100102629194_100000210670 [0,1,0,0,0,0|1,0,1]=3 6578 B13R0.336 C/C=C/CSCCCCCCCCO 62a_100000033203_100102629194 [0,1,0,0,0,0|2,0,1]=4 6579 B13R0.336 C/C=C/CSCCCCCCCCO 62a_100102629194_100000033203 [0,1,0,0,0,0|2,0,1]=4 6580 B13R0.336 C=CCCC/C=C/COCCCCC 34a_200016268473_100000718602 [0,1,0,0,0,0|1,0,2]=4 6581 B13R0.336 C=CCCC/C=C/COCCCCC 7a_200016268473_100000210326 [0,1,0,0,0,0|1,0,2]=4 6582 B13R0.336 C=CCCCCCCCCCCNC 2230a_106832991635_100011093070 [0,1,0,0,0,0|1,0,0]=2 6583 B13R0.336 C=CCCCCCCCCCCNC 34a_100102657272_100011093070 [0,1,0,0,0,0|1,0,0]=2 6584 B13R0.336 C=CCCCCCCCCCCNC 7a_106832991635_100011093070 [0,1,0,0,0,0|1,0,0]=2 6585 B13R0.336 C=CCCCCCCCCCCOC 34a_100138415774_100011093070 [0,1,0,0,0,0|1,0,0]=2 6586 B13R0.336 C=CCCCCCCCCCCSC 62a_100011093070_200000210301 [0,1,0,0,0,0|1,0,0]=2 6587 B13R0.336 C=CCCCCCCCCCCSC 62a_200000210301_100011093070 [0,1,0,0,0,0|1,0,0]=2 6588 B13R0.336 C=CCCCCCCCCCCS[13CH3] 62a_100011093070_200025704644 [0,1,0,0,0,0|1,0,0]=2 6589 B13R0.336 C=CCCCCCCCCCCS[13CH3] 62a_200025704644_100011093070 [0,1,0,0,0,0|1,0,0]=2 6590 B13R0.336 C=CCCCCCCCCCNCC 2230a_100000081888_100000210202 [0,1,0,0,0,0|1,0,0]=2 6591 B13R0.336 C=CCCCCCCCCCNCC 2230a_100015525214_100009814027 [0,1,0,0,0,0|1,0,0]=2 6592 B13R0.336 C=CCCCCCCCCCNCC 34a_100000081888_100000210202 [0,1,0,0,0,0|1,0,0]=2 6593 B13R0.336 C=CCCCCCCCCCNCF 34a_100000081888_100015361967 [0,1,0,0,0,0|2,0,0]=3 6594 B13R0.336 C=CCCCCCCCCCOCC 34a_100000038209_100000210202 [0,1,0,0,0,0|1,0,0]=2 6595 B13R0.336 C=CCCCCCCCCCOCC 34a_100121572206_100009814027 [0,1,0,0,0,0|1,0,0]=2 6596 B13R0.336 C=CCCCCCCCCCOCC 7a_100000038209_100000210202 [0,1,0,0,0,0|1,0,0]=2 6597 B13R0.336 C=CCCCCCCCCCOCF 34a_100000038209_100015361967 [0,1,0,0,0,0|2,0,0]=3 6598 B13R0.336 C=CCCCCCCCCCOCF 7a_100000038209_100015361967 [0,1,0,0,0,0|2,0,0]=3 6599 B13R0.336 C=CCCCCCCCCCSCC 62a_100000210202_100009814027 [0,1,0,0,0,0|1,0,0]=2 6600 B13R0.336 C=CCCCCCCCCCSCC 62a_100009814027_100000210202 [0,1,0,0,0,0|1,0,0]=2 6601 B13R0.336 C=CCCCCCCCCCSCF 62a_100009814027_100015361967 [0,1,0,0,0,0|2,0,0]=3 6602 B13R0.336 C=CCCCCCCCCCSCF 62a_100015361967_100009814027 [0,1,0,0,0,0|2,0,0]=3 6603 B13R0.336 C=CCCCCCCCCNCC=C 2230a_100020586998_100011933949 [0,1,0,0,0,0|1,0,2]=4 6604 B13R0.336 C=CCCCCCCCCNCCF 34a_100000724931_100011933949 [0,1,0,0,0,0|2,0,0]=3 6605 B13R0.336 C=CCCCCCCCCNCCO 2230a_100016997473_100011933949 [0,1,0,0,0,0|2,0,0]=3 6606 B13R0.336 C=CCCCCCCCCNCCO 34a_100016990907_100011933949 [0,1,0,0,0,0|2,0,0]=3 6607 B13R0.336 C=CCCCCCCCCOCC#N 7a_100011215194_100011215382 [0,1,0,0,0,0|2,0,1]=4 6608 B13R0.336 C=CCCCCCCCCOCC=C 34a_100011215194_100015514636 [0,1,0,0,0,0|1,0,2]=4 6609 B13R0.336 C=CCCCCCCCCOCC=C 34a_200000210373_100011933949 [0,1,0,0,0,0|1,0,2]=4 6610 B13R0.336 C=CCCCCCCCCOCC=C 7a_100011215194_100015514636 [0,1,0,0,0,0|1,0,2]=4 6611 B13R0.336 C=CCCCCCCCCOCC=O 34a_100011215194_200009817547 [0,1,0,0,0,0|0,0,2]=3 6612 B13R0.336 C=CCCCCCCCCOCC=O 7a_100011215194_200015260668 [0,1,0,0,0,0|0,0,2]=3 6613 B13R0.336 C=CCCCCCCCCOCCBr 34a_100000211926_100011933949 [0,1,0,0,0,0|2,0,0]=3 6614 B13R0.336 C=CCCCCCCCCOCCC 34a_100000210258_100011933949 [0,1,0,0,0,0|1,0,0]=2 6615 B13R0.336 C=CCCCCCCCCOCCC 34a_100011215194_100000210303 [0,1,0,0,0,0|1,0,0]=2 6616 B13R0.336 C=CCCCCCCCCOCCC 7a_100011215194_100000210303 [0,1,0,0,0,0|1,0,0]=2 6617 B13R0.336 C=CCCCCCCCCOCCF 34a_100011215194_100011217306 [0,1,0,0,0,0|2,0,0]=3 6618 B13R0.336 C=CCCCCCCCCOCCF 7a_100011215194_100011217306 [0,1,0,0,0,0|2,0,0]=3 6619 B13R0.336 C=CCCCCCCCCOCCN 34a_100000210304_100011933949 [0,1,0,0,0,0|2,0,0]=3 6620 B13R0.336 C=CCCCCCCCCOCCO 34a_100011215194_100000211926 [0,1,0,0,0,0|2,0,0]=3 6621 B13R0.336 C=CCCCCCCCCOCCO 7a_100011215194_100000211926 [0,1,0,0,0,0|2,0,0]=3 6622 B13R0.336 C=CCCCCCCCCOCSC 34a_100011215194_100011218213 [0,1,0,0,0,0|2,0,0]=3 6623 B13R0.336 C=CCCCCCCCCSCC#N 62a_100011215382_100011933949 [0,1,0,0,0,0|2,0,1]=4 6624 B13R0.336 C=CCCCCCCCCSCC#N 62a_100011933949_100011215382 [0,1,0,0,0,0|2,0,1]=4 6625 B13R0.336 C=CCCCCCCCCSCC=C 62a_100000210623_100011933949 [0,1,0,0,0,0|1,0,2]=4 6626 B13R0.336 C=CCCCCCCCCSCC=C 62a_100011933949_100000210623 [0,1,0,0,0,0|1,0,2]=4 6627 B13R0.336 C=CCCCCCCCCSCC=O 62a_100011933949_200015260668 [0,1,0,0,0,0|0,0,2]=3 6628 B13R0.336 C=CCCCCCCCCSCC=O 62a_200015260668_100011933949 [0,1,0,0,0,0|0,0,2]=3 6629 B13R0.336 C=CCCCCCCCCSCCC 62a_100000210303_100011933949 [0,1,0,0,0,0|1,0,0]=2 6630 B13R0.336 C=CCCCCCCCCSCCC 62a_100011933949_100000210303 [0,1,0,0,0,0|1,0,0]=2 6631 B13R0.336 C=CCCCCCCCCSCCF 62a_100011217306_100011933949 [0,1,0,0,0,0|2,0,0]=3 6632 B13R0.336 C=CCCCCCCCCSCCF 62a_100011933949_100011217306 [0,1,0,0,0,0|2,0,0]=3 6633 B13R0.336 C=CCCCCCCCCSCCO 62a_100000211926_100011933949 [0,1,0,0,0,0|2,0,0]=3 6634 B13R0.336 C=CCCCCCCCCSCCO 62a_100011933949_100000211926 [0,1,0,0,0,0|2,0,0]=3 6635 B13R0.336 C=CCCCCCCCCSCOC 62a_100000766300_100011933949 [0,1,0,0,0,0|2,0,0]=3 6636 B13R0.336 C=CCCCCCCCCSCOC 62a_100011933949_100000766300 [0,1,0,0,0,0|2,0,0]=3 6637 B13R0.336 C=CCCCCCCCCSCSC 62a_100011218213_100011933949 [0,1,0,0,0,0|2,0,0]=3 6638 B13R0.336 C=CCCCCCCCCSCSC 62a_100011933949_100011218213 [0,1,0,0,0,0|2,0,0]=3 6639 B13R0.336 C=CCCCCCCCNCC#CC 2230a_100000685387_100012355270 [0,1,0,0,0,0|1,0,2]=4 6640 B13R0.336 C=CCCCCCCCNCC#CC 34a_100000685387_100012355270 [0,1,0,0,0,0|1,0,2]=4 6641 B13R0.336 C=CCCCCCCCNCCC=C 2230a_100015191253_100012355270 [0,1,0,0,0,0|1,0,2]=4 6642 B13R0.336 C=CCCCCCCCNCCCC 2230a_100000102301_100012355270 [0,1,0,0,0,0|1,0,0]=2 6643 B13R0.336 C=CCCCCCCCNCCCC 7a_106832991798_100012355270 [0,1,0,0,0,0|1,0,0]=2 6644 B13R0.336 C=CCCCCCCCNCCCF 2230a_100015189416_100012355270 [0,1,0,0,0,0|2,0,0]=3 6645 B13R0.336 C=CCCCCCCCNCCCF 34a_100015189416_100012355270 [0,1,0,0,0,0|2,0,0]=3 6646 B13R0.336 C=CCCCCCCCNCCOC 2230a_100000209980_100012355270 [0,1,0,0,0,0|2,0,0]=3 6647 B13R0.336 C=CCCCCCCCNCCSC 2230a_100020590264_100012355270 [0,1,0,0,0,0|2,0,0]=3 6648 B13R0.336 C=CCCCCCCCOC/C=C/C 34a_100000730831_100102629194 [0,1,0,0,0,0|1,0,2]=4 6649 B13R0.336 C=CCCCCCCCOC/C=C/C 34a_100016270725_100012355270 [0,1,0,0,0,0|1,0,2]=4 6650 B13R0.336 C=CCCCCCCCOC/C=C/C 7a_100000730831_100102629194 [0,1,0,0,0,0|1,0,2]=4 6651 B13R0.336 C=CCCCCCCCOCC#CC 34a_100000730831_100000748600 [0,1,0,0,0,0|1,0,2]=4 6652 B13R0.336 C=CCCCCCCCOCC#CC 34a_100000761923_100012355270 [0,1,0,0,0,0|1,0,2]=4 6653 B13R0.336 C=CCCCCCCCOCC#CC 7a_100000730831_100000748600 [0,1,0,0,0,0|1,0,2]=4 6654 B13R0.336 C=CCCCCCCCOCC=CC 34a_100000730831_100000070051 [0,1,0,0,0,0|1,0,2]=4 6655 B13R0.336 C=CCCCCCCCOCC=CC 7a_100000730831_100000070051 [0,1,0,0,0,0|1,0,2]=4 6656 B13R0.336 C=CCCCCCCCOCCC#N 7a_100000730831_100000184422 [0,1,0,0,0,0|2,0,1]=4 6657 B13R0.336 C=CCCCCCCCOCCC=C 34a_100000730831_100000754431 [0,1,0,0,0,0|1,0,2]=4 6658 B13R0.336 C=CCCCCCCCOCCC=C 34a_100011205117_100012355270 [0,1,0,0,0,0|1,0,2]=4 6659 B13R0.336 C=CCCCCCCCOCCC=C 7a_100000730831_100000754431 [0,1,0,0,0,0|1,0,2]=4 6660 B13R0.336 C=CCCCCCCCOCCCBr 34a_100011217188_100012355270 [0,1,0,0,0,0|2,0,0]=3 6661 B13R0.336 C=CCCCCCCCOCCCC 34a_100000210227_100012355270 [0,1,0,0,0,0|1,0,0]=2 6662 B13R0.336 C=CCCCCCCCOCCCC 34a_100000730831_100000210210 [0,1,0,0,0,0|1,0,0]=2 6663 B13R0.336 C=CCCCCCCCOCCCC 7a_100000210227_100012355270 [0,1,0,0,0,0|1,0,0]=2 6664 B13R0.336 C=CCCCCCCCOCCCC 7a_100000730831_100000210211 [0,1,0,0,0,0|1,0,0]=2 6665 B13R0.336 C=CCCCCCCCOCCCCl 34a_100000230001_100012355270 [0,1,0,0,0,0|2,0,0]=3 6666 B13R0.336 C=CCCCCCCCOCCCF 34a_100000730831_100011934791 [0,1,0,0,0,0|2,0,0]=3 6667 B13R0.336 C=CCCCCCCCOCCCF 34a_100000759539_100012355270 [0,1,0,0,0,0|2,0,0]=3 6668 B13R0.336 C=CCCCCCCCOCCCF 7a_100000730831_100011934791 [0,1,0,0,0,0|2,0,0]=3 6669 B13R0.336 C=CCCCCCCCOCCCN 34a_100000182051_100012355270 [0,1,0,0,0,0|2,0,0]=3 6670 B13R0.336 C=CCCCCCCCOCCCO 34a_100000730831_100000230001 [0,1,0,0,0,0|2,0,0]=3 6671 B13R0.336 C=CCCCCCCCOCCCO 7a_100000730831_100011215043 [0,1,0,0,0,0|2,0,0]=3 6672 B13R0.336 C=CCCCCCCCOCCOC 34a_100000210237_100012355270 [0,1,0,0,0,0|2,0,0]=3 6673 B13R0.336 C=CCCCCCCCOCCOC 34a_100000730831_100011201679 [0,1,0,0,0,0|2,0,0]=3 6674 B13R0.336 C=CCCCCCCCOCCOC 7a_100000730831_100000233755 [0,1,0,0,0,0|2,0,0]=3 6675 B13R0.336 C=CCCCCCCCOCCON 34a_100000700252_100012355270 [0,1,0,0,0,0|3,0,0]=4 6676 B13R0.336 C=CCCCCCCCOCCSC 34a_100000230434_100012355270 [0,1,0,0,0,0|2,0,0]=3 6677 B13R0.336 C=CCCCCCCCOCCSC 34a_100000730831_100000212216 [0,1,0,0,0,0|2,0,0]=3 6678 B13R0.336 C=CCCCCCCCOCCSC 7a_100000230434_100012355270 [0,1,0,0,0,0|2,0,0]=3 6679 B13R0.336 C=CCCCCCCCOCCSC 7a_100000730831_100000212216 [0,1,0,0,0,0|2,0,0]=3 6680 B13R0.336 C=CCCCCCCCSC/C=C/C 62a_100012355270_100102629194 [0,1,0,0,0,0|1,0,2]=4 6681 B13R0.336 C=CCCCCCCCSC/C=C/C 62a_100102629194_100012355270 [0,1,0,0,0,0|1,0,2]=4 6682 B13R0.336 C=CCCCCCCCSCC#CC 62a_100000748600_100012355270 [0,1,0,0,0,0|1,0,2]=4 6683 B13R0.336 C=CCCCCCCCSCC#CC 62a_100012355270_100000748600 [0,1,0,0,0,0|1,0,2]=4 6684 B13R0.336 C=CCCCCCCCSCC=CC 62a_100000070051_100012355270 [0,1,0,0,0,0|1,0,2]=4 6685 B13R0.336 C=CCCCCCCCSCC=CC 62a_100012355270_100000070051 [0,1,0,0,0,0|1,0,2]=4 6686 B13R0.336 C=CCCCCCCCSCCC#N 62a_100011215226_100012355270 [0,1,0,0,0,0|2,0,1]=4 6687 B13R0.336 C=CCCCCCCCSCCC#N 62a_100012355270_100011215226 [0,1,0,0,0,0|2,0,1]=4 6688 B13R0.336 C=CCCCCCCCSCCC=C 62a_100000754431_100012355270 [0,1,0,0,0,0|1,0,2]=4 6689 B13R0.336 C=CCCCCCCCSCCC=C 62a_100012355270_100000754431 [0,1,0,0,0,0|1,0,2]=4 6690 B13R0.336 C=CCCCCCCCSCCCC 62a_100000210211_100012355270 [0,1,0,0,0,0|1,0,0]=2 6691 B13R0.336 C=CCCCCCCCSCCCC 62a_100012355270_100000210210 [0,1,0,0,0,0|1,0,0]=2 6692 B13R0.336 C=CCCCCCCCSCCCF 62a_100011934791_100012355270 [0,1,0,0,0,0|2,0,0]=3 6693 B13R0.336 C=CCCCCCCCSCCCF 62a_100012355270_100011934791 [0,1,0,0,0,0|2,0,0]=3 6694 B13R0.336 C=CCCCCCCCSCCCO 62a_100011215043_100012355270 [0,1,0,0,0,0|2,0,0]=3 6695 B13R0.336 C=CCCCCCCCSCCCO 62a_100012355270_100011215043 [0,1,0,0,0,0|2,0,0]=3 6696 B13R0.336 C=CCCCCCCCSCCOC 62a_100000233755_100012355270 [0,1,0,0,0,0|2,0,0]=3 6697 B13R0.336 C=CCCCCCCCSCCOC 62a_100012355270_100000233755 [0,1,0,0,0,0|2,0,0]=3 6698 B13R0.336 C=CCCCCCCCSCCSC 62a_100000212216_100012355270 [0,1,0,0,0,0|2,0,0]=3 6699 B13R0.336 C=CCCCCCCCSCCSC 62a_100012355270_100000751147 [0,1,0,0,0,0|2,0,0]=3 6700 B13R0.336 C=CCCCCCCCSCOCC 62a_100000739092_100012355270 [0,1,0,0,0,0|2,0,0]=3 6701 B13R0.336 C=CCCCCCCCSCOCC 62a_100012355270_100000739092 [0,1,0,0,0,0|2,0,0]=3 6702 B13R0.336 C=CCCCCCCNCCCC=C 2230a_100000700776_100011215473 [0,1,0,0,0,0|1,0,2]=4 6703 B13R0.336 C=CCCCCCCNCCCC=C 34a_100000700776_100011215473 [0,1,0,0,0,0|1,0,2]=4 6704 B13R0.336 C=CCCCCCCNCCCCC 2230a_100000209983_100011215473 [0,1,0,0,0,0|1,0,0]=2 6705 B13R0.336 C=CCCCCCCNCCCCO 2230a_100000750430_100011215473 [0,1,0,0,0,0|2,0,0]=3 6706 B13R0.336 C=CCCCCCCNCCCCO 34a_100000750430_100011215473 [0,1,0,0,0,0|2,0,0]=3 6707 B13R0.336 C=CCCCCCCNCCCOC 34a_100150723488_100011215473 [0,1,0,0,0,0|2,0,0]=3 6708 B13R0.336 C=CCCCCCCNCCCSC 2230a_100000749238_100011215473 [0,1,0,0,0,0|2,0,0]=3 6709 B13R0.336 C=CCCCCCCNCCOCC 2230a_102516460346_100011215473 [0,1,0,0,0,0|2,0,0]=3 6710 B13R0.336 C=CCCCCCCNCCOCC 34a_102516460346_100011215473 [0,1,0,0,0,0|2,0,0]=3 6711 B13R0.336 C=CCCCCCCNCCSCC 2230a_100000106463_100011215473 [0,1,0,0,0,0|2,0,0]=3 6712 B13R0.336 C=CCCCCCCOC/C=C\CC 34a_100016268518_100011215473 [0,1,0,0,0,0|1,0,2]=4 6713 B13R0.336 C=CCCCCCCOC/C=C\CC 34a_200011216477_100103147603 [0,1,0,0,0,0|1,0,2]=4 6714 B13R0.336 C=CCCCCCCOC/C=C\CC 7a_200011216477_100103147603 [0,1,0,0,0,0|1,0,2]=4 6715 B13R0.336 C=CCCCCCCOCC#CCC 34a_100000032950_100011215473 [0,1,0,0,0,0|1,0,2]=4 6716 B13R0.336 C=CCCCCCCOCC#CCC 34a_200011216477_100009813939 [0,1,0,0,0,0|1,0,2]=4 6717 B13R0.336 C=CCCCCCCOCC#CCC 7a_200011216477_100009813939 [0,1,0,0,0,0|1,0,2]=4 6718 B13R0.336 C=CCCCCCCOCC/C=C/C 34a_100016278192_100011215473 [0,1,0,0,0,0|1,0,2]=4 6719 B13R0.336 C=CCCCCCCOCCC#CC 34a_100000750427_100011215473 [0,1,0,0,0,0|1,0,2]=4 6720 B13R0.336 C=CCCCCCCOCCCC#N 7a_200011216477_100000687738 [0,1,0,0,0,0|2,0,1]=4 6721 B13R0.336 C=CCCCCCCOCCCC=C 34a_100000758997_100011215473 [0,1,0,0,0,0|1,0,2]=4 6722 B13R0.336 C=CCCCCCCOCCCC=C 34a_200011216477_100000757094 [0,1,0,0,0,0|1,0,2]=4 6723 B13R0.336 C=CCCCCCCOCCCC=C 7a_100000758997_100011215473 [0,1,0,0,0,0|1,0,2]=4 6724 B13R0.336 C=CCCCCCCOCCCC=C 7a_200011216477_100000757094 [0,1,0,0,0,0|1,0,2]=4 6725 B13R0.336 C=CCCCCCCOCCCC=O 7a_200011216477_200011292268 [0,1,0,0,0,0|0,0,2]=3 6726 B13R0.336 C=CCCCCCCOCCCCBr 34a_100011216708_100011215473 [0,1,0,0,0,0|2,0,0]=3 6727 B13R0.336 C=CCCCCCCOCCCCC 34a_100000210253_100011215473 [0,1,0,0,0,0|1,0,0]=2 6728 B13R0.336 C=CCCCCCCOCCCCC 34a_200011216477_100000718602 [0,1,0,0,0,0|1,0,0]=2 6729 B13R0.336 C=CCCCCCCOCCCCC 7a_100000210253_100011215473 [0,1,0,0,0,0|1,0,0]=2 6730 B13R0.336 C=CCCCCCCOCCCCC 7a_200011216477_100000210326 [0,1,0,0,0,0|1,0,0]=2 6731 B13R0.336 C=CCCCCCCOCCCCCl 34a_100000210776_100011215473 [0,1,0,0,0,0|2,0,0]=3 6732 B13R0.336 C=CCCCCCCOCCCCCl 7a_100000210776_100011215473 [0,1,0,0,0,0|2,0,0]=3 6733 B13R0.336 C=CCCCCCCOCCCCF 34a_100011995726_100011215473 [0,1,0,0,0,0|2,0,0]=3 6734 B13R0.336 C=CCCCCCCOCCCCF 34a_200011216477_100000729493 [0,1,0,0,0,0|2,0,0]=3 6735 B13R0.336 C=CCCCCCCOCCCCF 7a_100011995726_100011215473 [0,1,0,0,0,0|2,0,0]=3 6736 B13R0.336 C=CCCCCCCOCCCCF 7a_200011216477_100000729493 [0,1,0,0,0,0|2,0,0]=3 6737 B13R0.336 C=CCCCCCCOCCCCI 34a_200012148704_100011215473 [0,1,0,0,0,0|2,0,0]=3 6738 B13R0.336 C=CCCCCCCOCCCCN 34a_100000750430_100011215473 [0,1,0,0,0,0|2,0,0]=3 6739 B13R0.336 C=CCCCCCCOCCCCO 34a_200011216477_100011216708 [0,1,0,0,0,0|2,0,0]=3 6740 B13R0.336 C=CCCCCCCOCCCCO 7a_200011216477_100000210776 [0,1,0,0,0,0|2,0,0]=3 6741 B13R0.336 C=CCCCCCCOCCCNC 34a_100000213112_100011215473 [0,1,0,0,0,0|2,0,0]=3 6742 B13R0.336 C=CCCCCCCOCCCOC 34a_100000740835_100011215473 [0,1,0,0,0,0|2,0,0]=3 6743 B13R0.336 C=CCCCCCCOCCCOC 34a_200011216477_100000740836 [0,1,0,0,0,0|2,0,0]=3 6744 B13R0.336 C=CCCCCCCOCCCOC 7a_200011216477_100000740836 [0,1,0,0,0,0|2,0,0]=3 6745 B13R0.336 C=CCCCCCCOCCCSC 34a_100000690336_100011215473 [0,1,0,0,0,0|2,0,0]=3 6746 B13R0.336 C=CCCCCCCOCCCSC 7a_100000690336_100011215473 [0,1,0,0,0,0|2,0,0]=3 6747 B13R0.336 C=CCCCCCCOCCOCC 34a_100000210136_100011215473 [0,1,0,0,0,0|2,0,0]=3 6748 B13R0.336 C=CCCCCCCOCCOCC 34a_200011216477_100000210147 [0,1,0,0,0,0|2,0,0]=3 6749 B13R0.336 C=CCCCCCCOCCOCC 7a_100000210136_100011215473 [0,1,0,0,0,0|2,0,0]=3 6750 B13R0.336 C=CCCCCCCOCCOCC 7a_200011216477_100011215890 [0,1,0,0,0,0|2,0,0]=3 6751 B13R0.336 C=CCCCCCCOCCSCC 34a_100000212035_100011215473 [0,1,0,0,0,0|2,0,0]=3 6752 B13R0.336 C=CCCCCCCOCCSCC 34a_200011216477_100000757381 [0,1,0,0,0,0|2,0,0]=3 6753 B13R0.336 C=CCCCCCCOCCSCC 7a_100000212035_100011215473 [0,1,0,0,0,0|2,0,0]=3 6754 B13R0.336 C=CCCCCCCOCCSCC 7a_200011216477_100000757381 [0,1,0,0,0,0|2,0,0]=3 6755 B13R0.336 C=CCCCCCCSC/C=C\CC 62a_100011215473_100103147603 [0,1,0,0,0,0|1,0,2]=4 6756 B13R0.336 C=CCCCCCCSC/C=C\CC 62a_100103147603_100011215473 [0,1,0,0,0,0|1,0,2]=4 6757 B13R0.336 C=CCCCCCCSCC#CCC 62a_100009813939_100011215473 [0,1,0,0,0,0|1,0,2]=4 6758 B13R0.336 C=CCCCCCCSCC#CCC 62a_100011215473_100009813939 [0,1,0,0,0,0|1,0,2]=4 6759 B13R0.336 C=CCCCCCCSCCCC#N 62a_100000687738_100011215473 [0,1,0,0,0,0|2,0,1]=4 6760 B13R0.336 C=CCCCCCCSCCCC#N 62a_100011215473_100000687738 [0,1,0,0,0,0|2,0,1]=4 6761 B13R0.336 C=CCCCCCCSCCCC=C 62a_100011215473_100000757094 [0,1,0,0,0,0|1,0,2]=4 6762 B13R0.336 C=CCCCCCCSCCCC=C 62a_100011713584_100011215473 [0,1,0,0,0,0|1,0,2]=4 6763 B13R0.336 C=CCCCCCCSCCCC=O 62a_100011215473_200011292268 [0,1,0,0,0,0|0,0,2]=3 6764 B13R0.336 C=CCCCCCCSCCCC=O 62a_200011292268_100011215473 [0,1,0,0,0,0|0,0,2]=3 6765 B13R0.336 C=CCCCCCCSCCCCC 62a_100000210326_100011215473 [0,1,0,0,0,0|1,0,0]=2 6766 B13R0.336 C=CCCCCCCSCCCCC 62a_100011215473_100000210326 [0,1,0,0,0,0|1,0,0]=2 6767 B13R0.336 C=CCCCCCCSCCCCF 62a_100000729493_100011215473 [0,1,0,0,0,0|2,0,0]=3 6768 B13R0.336 C=CCCCCCCSCCCCF 62a_100011215473_100000729493 [0,1,0,0,0,0|2,0,0]=3 6769 B13R0.336 C=CCCCCCCSCCCCO 62a_100000210776_100011215473 [0,1,0,0,0,0|2,0,0]=3 6770 B13R0.336 C=CCCCCCCSCCCCO 62a_100011215473_100000210776 [0,1,0,0,0,0|2,0,0]=3 6771 B13R0.336 C=CCCCCCCSCCCOC 62a_100000709357_100011215473 [0,1,0,0,0,0|2,0,0]=3 6772 B13R0.336 C=CCCCCCCSCCCOC 62a_100011215473_100000709357 [0,1,0,0,0,0|2,0,0]=3 6773 B13R0.336 C=CCCCCCCSCCOCC 62a_100000210147_100011215473 [0,1,0,0,0,0|2,0,0]=3 6774 B13R0.336 C=CCCCCCCSCCOCC 62a_100011215473_100011215890 [0,1,0,0,0,0|2,0,0]=3 6775 B13R0.336 C=CCCCCCCSCCSCC 62a_100000757381_100011215473 [0,1,0,0,0,0|2,0,0]=3 6776 B13R0.336 C=CCCCCCCSCCSCC 62a_100011215473_100000757381 [0,1,0,0,0,0|2,0,0]=3 6777 B13R0.336 C=CCCCCCNCCCCC=C 2230a_100000703577_100000700193 [0,1,0,0,0,0|1,0,2]=4 6778 B13R0.336 C=CCCCCCNCCCCC=C 34a_100000703577_100000700193 [0,1,0,0,0,0|1,0,2]=4 6779 B13R0.336 C=CCCCCCNCCCCCC 2230a_100000210581_100000700193 [0,1,0,0,0,0|1,0,0]=2 6780 B13R0.336 C=CCCCCCNCCCCCO 2230a_100000762737_100000700193 [0,1,0,0,0,0|2,0,0]=3 6781 B13R0.336 C=CCCCCCNCCCCCO 34a_100000762737_100000700193 [0,1,0,0,0,0|2,0,0]=3 6782 B13R0.336 C=CCCCCCNCCCOCC 2230a_100000210961_100000700193 [0,1,0,0,0,0|2,0,0]=3 6783 B13R0.336 C=CCCCCCNCCCOCC 34a_100000210961_100000700193 [0,1,0,0,0,0|2,0,0]=3 6784 B13R0.336 C=CCCCCCNCCOCCC 2230a_100161115042_100000700193 [0,1,0,0,0,0|2,0,0]=3 6785 B13R0.336 C=CCCCCCNCCOCCC 34a_100161115042_100000700193 [0,1,0,0,0,0|2,0,0]=3 6786 B13R0.336 C=CCCCCCNCCOCCO 2230a_100000211614_100000700193 [0,1,0,0,0,0|3,0,0]=4 6787 B13R0.336 C=CCCCCCNCCOCCO 34a_100000211614_100000700193 [0,1,0,0,0,0|3,0,0]=4 6788 B13R0.336 C=CCCCCCNCCSCCC 2230a_100020603323_100000700193 [0,1,0,0,0,0|2,0,0]=3 6789 B13R0.336 C=CCCCCCNCCSCCO 2230a_100011219999_100000700193 [0,1,0,0,0,0|3,0,0]=4 6790 B13R0.336 C=CCCCCCOC/C=C/CCC 34a_100016278788_100000700193 [0,1,0,0,0,0|1,0,2]=4 6791 B13R0.336 C=CCCCCCOC/C=C/CCC 7a_100016278788_100000700193 [0,1,0,0,0,0|1,0,2]=4 6792 B13R0.336 C=CCCCCCOCC#CCCC 34a_100000034806_100000700193 [0,1,0,0,0,0|1,0,2]=4 6793 B13R0.336 C=CCCCCCOCC#CCCC 7a_100000034806_100000700193 [0,1,0,0,0,0|1,0,2]=4 6794 B13R0.336 C=CCCCCCOCC/C=C\CC 34a_100011216702_100015370543 [0,1,0,0,0,0|1,0,2]=4 6795 B13R0.336 C=CCCCCCOCC/C=C\CC 34a_100016288707_100000700193 [0,1,0,0,0,0|1,0,2]=4 6796 B13R0.336 C=CCCCCCOCC/C=C\CC 7a_100011216702_100015370543 [0,1,0,0,0,0|1,0,2]=4 6797 B13R0.336 C=CCCCCCOCC/C=C\CC 7a_100016288707_100000700193 [0,1,0,0,0,0|1,0,2]=4 6798 B13R0.336 C=CCCCCCOCCC#CCC 34a_100000036655_100000700193 [0,1,0,0,0,0|1,0,2]=4 6799 B13R0.336 C=CCCCCCOCCC#CCC 7a_100000036655_100000700193 [0,1,0,0,0,0|1,0,2]=4 6800 B13R0.336 C=CCCCCCOCCCC=CC 34a_100020645299_100000700193 [0,1,0,0,0,0|1,0,2]=4 6801 B13R0.336 C=CCCCCCOCCCCC#N 7a_100011216702_100000211819 [0,1,0,0,0,0|2,0,1]=4 6802 B13R0.336 C=CCCCCCOCCCCC=C 34a_100000766645_100000700193 [0,1,0,0,0,0|1,0,2]=4 6803 B13R0.336 C=CCCCCCOCCCCC=C 34a_100011216702_100011215482 [0,1,0,0,0,0|1,0,2]=4 6804 B13R0.336 C=CCCCCCOCCCCC=C 7a_100000766645_100000700193 [0,1,0,0,0,0|1,0,2]=4 6805 B13R0.336 C=CCCCCCOCCCCC=C 7a_100011216702_100011215482 [0,1,0,0,0,0|1,0,2]=4 6806 B13R0.336 C=CCCCCCOCCCCC=O 7a_100011216702_100000139335 [0,1,0,0,0,0|0,0,2]=3 6807 B13R0.336 C=CCCCCCOCCCCCBr 34a_100000746331_100000700193 [0,1,0,0,0,0|2,0,0]=3 6808 B13R0.336 C=CCCCCCOCCCCCBr 7a_100000746331_100000700193 [0,1,0,0,0,0|2,0,0]=3 6809 B13R0.336 C=CCCCCCOCCCCCC 34a_100000210259_100000700193 [0,1,0,0,0,0|1,0,0]=2 6810 B13R0.336 C=CCCCCCOCCCCCC 34a_100011216702_100000210314 [0,1,0,0,0,0|1,0,0]=2 6811 B13R0.336 C=CCCCCCOCCCCCC 7a_100000210259_100000700193 [0,1,0,0,0,0|1,0,0]=2 6812 B13R0.336 C=CCCCCCOCCCCCC 7a_100011216702_100000210314 [0,1,0,0,0,0|1,0,0]=2 6813 B13R0.336 C=CCCCCCOCCCCCCl 34a_100000746330_100000700193 [0,1,0,0,0,0|2,0,0]=3 6814 B13R0.336 C=CCCCCCOCCCCCCl 7a_100000746330_100000700193 [0,1,0,0,0,0|2,0,0]=3 6815 B13R0.336 C=CCCCCCOCCCCCF 34a_100011216702_100000729378 [0,1,0,0,0,0|2,0,0]=3 6816 B13R0.336 C=CCCCCCOCCCCCF 7a_100011216702_100000729378 [0,1,0,0,0,0|2,0,0]=3 6817 B13R0.336 C=CCCCCCOCCCCCI 34a_200012148887_100000700193 [0,1,0,0,0,0|2,0,0]=3 6818 B13R0.336 C=CCCCCCOCCCCCI 7a_200012148887_100000700193 [0,1,0,0,0,0|2,0,0]=3 6819 B13R0.336 C=CCCCCCOCCCCCN 34a_100000762737_100000700193 [0,1,0,0,0,0|2,0,0]=3 6820 B13R0.336 C=CCCCCCOCCCCCO 34a_100011216702_100000746330 [0,1,0,0,0,0|2,0,0]=3 6821 B13R0.336 C=CCCCCCOCCCCCO 7a_100011216702_100000746330 [0,1,0,0,0,0|2,0,0]=3 6822 B13R0.336 C=CCCCCCOCCCCOC 34a_100000740925_100000700193 [0,1,0,0,0,0|2,0,0]=3 6823 B13R0.336 C=CCCCCCOCCCCOC 34a_100011216702_100000755781 [0,1,0,0,0,0|2,0,0]=3 6824 B13R0.336 C=CCCCCCOCCCCOC 7a_100011216702_100000730899 [0,1,0,0,0,0|2,0,0]=3 6825 B13R0.336 C=CCCCCCOCCCCSC 34a_100011217163_100000700193 [0,1,0,0,0,0|2,0,0]=3 6826 B13R0.336 C=CCCCCCOCCCCSC 7a_100011217163_100000700193 [0,1,0,0,0,0|2,0,0]=3 6827 B13R0.336 C=CCCCCCOCCCOCC 34a_100000757476_100000700193 [0,1,0,0,0,0|2,0,0]=3 6828 B13R0.336 C=CCCCCCOCCCOCC 34a_100011216702_100012232248 [0,1,0,0,0,0|2,0,0]=3 6829 B13R0.336 C=CCCCCCOCCCOCC 7a_100000757476_100000700193 [0,1,0,0,0,0|2,0,0]=3 6830 B13R0.336 C=CCCCCCOCCCOCC 7a_100011216702_100012232248 [0,1,0,0,0,0|2,0,0]=3 6831 B13R0.336 C=CCCCCCOCCCSCC 34a_100011216438_100000700193 [0,1,0,0,0,0|2,0,0]=3 6832 B13R0.336 C=CCCCCCOCCCSCC 7a_100011216438_100000700193 [0,1,0,0,0,0|2,0,0]=3 6833 B13R0.336 C=CCCCCCOCCOCCBr 34a_100000692535_100000700193 [0,1,0,0,0,0|3,0,0]=4 6834 B13R0.336 C=CCCCCCOCCOCCBr 7a_100000692535_100000700193 [0,1,0,0,0,0|3,0,0]=4 6835 B13R0.336 C=CCCCCCOCCOCCC 34a_100000752267_100000700193 [0,1,0,0,0,0|2,0,0]=3 6836 B13R0.336 C=CCCCCCOCCOCCC 34a_100011216702_100011215938 [0,1,0,0,0,0|2,0,0]=3 6837 B13R0.336 C=CCCCCCOCCOCCC 7a_100000752267_100000700193 [0,1,0,0,0,0|2,0,0]=3 6838 B13R0.336 C=CCCCCCOCCOCCC 7a_100011216702_100011215938 [0,1,0,0,0,0|2,0,0]=3 6839 B13R0.336 C=CCCCCCOCCOCCCl 34a_100011215305_100000700193 [0,1,0,0,0,0|3,0,0]=4 6840 B13R0.336 C=CCCCCCOCCOCCCl 7a_100011215305_100000700193 [0,1,0,0,0,0|3,0,0]=4 6841 B13R0.336 C=CCCCCCOCCOCCF 34a_200015357709_100000700193 [0,1,0,0,0,0|3,0,0]=4 6842 B13R0.336 C=CCCCCCOCCOCCF 7a_200015357709_100000700193 [0,1,0,0,0,0|3,0,0]=4 6843 B13R0.336 C=CCCCCCOCCOCCI 34a_100012149058_100000700193 [0,1,0,0,0,0|3,0,0]=4 6844 B13R0.336 C=CCCCCCOCCOCCI 7a_100012149058_100000700193 [0,1,0,0,0,0|3,0,0]=4 6845 B13R0.336 C=CCCCCCOCCOCCN 34a_100000211614_100000700193 [0,1,0,0,0,0|3,0,0]=4 6846 B13R0.336 C=CCCCCCOCCOCCO 34a_100011216702_100000692535 [0,1,0,0,0,0|3,0,0]=4 6847 B13R0.336 C=CCCCCCOCCOCCO 7a_100011216702_100011215305 [0,1,0,0,0,0|3,0,0]=4 6848 B13R0.336 C=CCCCCCOCCSCCC 34a_200000230433_100000700193 [0,1,0,0,0,0|2,0,0]=3 6849 B13R0.336 C=CCCCCCOCCSCCC 7a_200000230433_100000700193 [0,1,0,0,0,0|2,0,0]=3 6850 B13R0.336 C=CCCCCCOCOCCCC 34a_100011216702_100011995733 [0,1,0,0,0,0|2,0,0]=3 6851 B13R0.336 C=CCCCCCSCC/C=C\CC 62a_100000700193_100015370543 [0,1,0,0,0,0|1,0,2]=4 6852 B13R0.336 C=CCCCCCSCC/C=C\CC 62a_100015370543_100000700193 [0,1,0,0,0,0|1,0,2]=4 6853 B13R0.336 C=CCCCCCSCCCCC#N 62a_100000700193_100000211819 [0,1,0,0,0,0|2,0,1]=4 6854 B13R0.336 C=CCCCCCSCCCCC#N 62a_100011219923_100000700193 [0,1,0,0,0,0|2,0,1]=4 6855 B13R0.336 C=CCCCCCSCCCCC=C 62a_100000700193_100011215482 [0,1,0,0,0,0|1,0,2]=4 6856 B13R0.336 C=CCCCCCSCCCCC=C 62a_100011215482_100000700193 [0,1,0,0,0,0|1,0,2]=4 6857 B13R0.336 C=CCCCCCSCCCCC=O 62a_100000139335_100000700193 [0,1,0,0,0,0|0,0,2]=3 6858 B13R0.336 C=CCCCCCSCCCCC=O 62a_100000700193_100000139335 [0,1,0,0,0,0|0,0,2]=3 6859 B13R0.336 C=CCCCCCSCCCCCC 62a_100000210314_100000700193 [0,1,0,0,0,0|1,0,0]=2 6860 B13R0.336 C=CCCCCCSCCCCCC 62a_100000700193_100000210757 [0,1,0,0,0,0|1,0,0]=2 6861 B13R0.336 C=CCCCCCSCCCCCF 62a_100000700193_100000729378 [0,1,0,0,0,0|2,0,0]=3 6862 B13R0.336 C=CCCCCCSCCCCCF 62a_100000729378_100000700193 [0,1,0,0,0,0|2,0,0]=3 6863 B13R0.336 C=CCCCCCSCCCCCO 62a_100000700193_100000746330 [0,1,0,0,0,0|2,0,0]=3 6864 B13R0.336 C=CCCCCCSCCCCCO 62a_100000746330_100000700193 [0,1,0,0,0,0|2,0,0]=3 6865 B13R0.336 C=CCCCCCSCCCCOC 62a_100000700193_100000730899 [0,1,0,0,0,0|2,0,0]=3 6866 B13R0.336 C=CCCCCCSCCCCOC 62a_100000730899_100000700193 [0,1,0,0,0,0|2,0,0]=3 6867 B13R0.336 C=CCCCCCSCCCOCC 62a_100000700193_100012232248 [0,1,0,0,0,0|2,0,0]=3 6868 B13R0.336 C=CCCCCCSCCCOCC 62a_100012232248_100000700193 [0,1,0,0,0,0|2,0,0]=3 6869 B13R0.336 C=CCCCCCSCCOCCC 62a_100000700193_100011215938 [0,1,0,0,0,0|2,0,0]=3 6870 B13R0.336 C=CCCCCCSCCOCCC 62a_100011215938_100000700193 [0,1,0,0,0,0|2,0,0]=3 6871 B13R0.336 C=CCCCCCSCCOCCO 62a_100000700193_100011215305 [0,1,0,0,0,0|3,0,0]=4 6872 B13R0.336 C=CCCCCCSCCOCCO 62a_100011215305_100000700193 [0,1,0,0,0,0|3,0,0]=4 6873 B13R0.336 C=CCCCCCSCOCCCC 62a_100000700193_100011995733 [0,1,0,0,0,0|2,0,0]=3 6874 B13R0.336 C=CCCCCCSCOCCCC 62a_100011995733_100000700193 [0,1,0,0,0,0|2,0,0]=3 6875 B13R0.336 C=CCCCCCSCOCCOC 62a_100000231047_100000700193 [0,1,0,0,0,0|3,0,0]=4 6876 B13R0.336 C=CCCCCCSCOCCOC 62a_100000700193_100000231047 [0,1,0,0,0,0|3,0,0]=4 6877 B13R0.336 C=CCCCCNCCCCCC#N 2230a_100000703577_100009813376 [0,1,0,0,0,0|2,0,1]=4 6878 B13R0.336 C=CCCCCNCCCCCC=O 2230a_100000703577_100000139337 [0,1,0,0,0,0|0,0,2]=3 6879 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000229938_100011215482 [0,1,0,0,0,0|1,0,0]=2 6880 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000703577_100000210681 [0,1,0,0,0,0|1,0,0]=2 6881 B13R0.336 C=CCCCCNCCCCCCC 34a_100000703577_100000210614 [0,1,0,0,0,0|1,0,0]=2 6882 B13R0.336 C=CCCCCNCCCCCCF 2230a_100000703577_100015922095 [0,1,0,0,0,0|2,0,0]=3 6883 B13R0.336 C=CCCCCNCCCCCCF 34a_100000703577_100015922095 [0,1,0,0,0,0|2,0,0]=3 6884 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000686447_100011215482 [0,1,0,0,0,0|2,0,0]=3 6885 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000703577_100000766143 [0,1,0,0,0,0|2,0,0]=3 6886 B13R0.336 C=CCCCCNCCCCCCO 34a_100000686447_100011215482 [0,1,0,0,0,0|2,0,0]=3 6887 B13R0.336 C=CCCCCNCCCCCCO 34a_100000703577_100000766143 [0,1,0,0,0,0|2,0,0]=3 6888 B13R0.336 C=CCCCCNCCCCCOC 2230a_100000747528_100011215482 [0,1,0,0,0,0|2,0,0]=3 6889 B13R0.336 C=CCCCCNCCCCCOC 34a_100000747528_100011215482 [0,1,0,0,0,0|2,0,0]=3 6890 B13R0.336 C=CCCCCNCCCOCCC 2230a_100011217757_100011215482 [0,1,0,0,0,0|2,0,0]=3 6891 B13R0.336 C=CCCCCNCCCOCCC 34a_100011217757_100011215482 [0,1,0,0,0,0|2,0,0]=3 6892 B13R0.336 C=CCCCCNCCOCCCC 2230a_100000703577_100000743108 [0,1,0,0,0,0|2,0,0]=3 6893 B13R0.336 C=CCCCCNCCOCCCC 34a_100000703577_100000743108 [0,1,0,0,0,0|2,0,0]=3 6894 B13R0.336 C=CCCCCNCCOCCOC 2230a_100000703577_100000695917 [0,1,0,0,0,0|3,0,0]=4 6895 B13R0.336 C=CCCCCNCCOCCOC 2230a_100000745349_100011215482 [0,1,0,0,0,0|3,0,0]=4 6896 B13R0.336 C=CCCCCNCCOCCOC 34a_100000703577_100000695917 [0,1,0,0,0,0|3,0,0]=4 6897 B13R0.336 C=CCCCCNCCOCCOC 34a_100000745349_100011215482 [0,1,0,0,0,0|3,0,0]=4 6898 B13R0.336 C=CCCCCNCCSCCCC 2230a_100025743550_100011215482 [0,1,0,0,0,0|2,0,0]=3 6899 B13R0.336 C=CCCCCOC/C=C/CCCC 34a_200016272032_100011215482 [0,1,0,0,0,0|1,0,2]=4 6900 B13R0.336 C=CCCCCOC/C=C/CCCC 7a_200016272032_100011215482 [0,1,0,0,0,0|1,0,2]=4 6901 B13R0.336 C=CCCCCOCC#CCCCC 34a_200000034558_100011215482 [0,1,0,0,0,0|1,0,2]=4 6902 B13R0.336 C=CCCCCOCC#CCCCC 7a_200000034558_100011215482 [0,1,0,0,0,0|1,0,2]=4 6903 B13R0.336 C=CCCCCOCCC#CCCC 34a_100000042726_100011215482 [0,1,0,0,0,0|1,0,2]=4 6904 B13R0.336 C=CCCCCOCCC#CCCC 7a_100000042726_100011215482 [0,1,0,0,0,0|1,0,2]=4 6905 B13R0.336 C=CCCCCOCCC/C=C/CC 34a_100016287902_100011215482 [0,1,0,0,0,0|1,0,2]=4 6906 B13R0.336 C=CCCCCOCCC/C=C/CC 7a_100016287902_100011215482 [0,1,0,0,0,0|1,0,2]=4 6907 B13R0.336 C=CCCCCOCCCCCC#N 7a_100000766645_100009813376 [0,1,0,0,0,0|2,0,1]=4 6908 B13R0.336 C=CCCCCOCCCCCC=O 7a_100000766645_100000139337 [0,1,0,0,0,0|0,0,2]=3 6909 B13R0.336 C=CCCCCOCCCCCCBr 34a_100011215345_100011215482 [0,1,0,0,0,0|2,0,0]=3 6910 B13R0.336 C=CCCCCOCCCCCCBr 7a_100011215345_100011215482 [0,1,0,0,0,0|2,0,0]=3 6911 B13R0.336 C=CCCCCOCCCCCCC 34a_100000210272_100011215482 [0,1,0,0,0,0|1,0,0]=2 6912 B13R0.336 C=CCCCCOCCCCCCC 34a_100000766645_100000210614 [0,1,0,0,0,0|1,0,0]=2 6913 B13R0.336 C=CCCCCOCCCCCCC 7a_100000210272_100011215482 [0,1,0,0,0,0|1,0,0]=2 6914 B13R0.336 C=CCCCCOCCCCCCC 7a_100000766645_100000210614 [0,1,0,0,0,0|1,0,0]=2 6915 B13R0.336 C=CCCCCOCCCCCCCl 34a_100000766143_100011215482 [0,1,0,0,0,0|2,0,0]=3 6916 B13R0.336 C=CCCCCOCCCCCCCl 7a_100000766143_100011215482 [0,1,0,0,0,0|2,0,0]=3 6917 B13R0.336 C=CCCCCOCCCCCCF 34a_100000732779_100011215482 [0,1,0,0,0,0|2,0,0]=3 6918 B13R0.336 C=CCCCCOCCCCCCF 34a_100000766645_100015922095 [0,1,0,0,0,0|2,0,0]=3 6919 B13R0.336 C=CCCCCOCCCCCCF 7a_100000732779_100011215482 [0,1,0,0,0,0|2,0,0]=3 6920 B13R0.336 C=CCCCCOCCCCCCF 7a_100000766645_100015922095 [0,1,0,0,0,0|2,0,0]=3 6921 B13R0.336 C=CCCCCOCCCCCCN 34a_100000686447_100011215482 [0,1,0,0,0,0|2,0,0]=3 6922 B13R0.336 C=CCCCCOCCCCCCO 34a_100000766645_100000766143 [0,1,0,0,0,0|2,0,0]=3 6923 B13R0.336 C=CCCCCOCCCCCCO 7a_100000766645_100000766143 [0,1,0,0,0,0|2,0,0]=3 6924 B13R0.336 C=CCCCCOCCCCCNC 34a_100000722520_100011215482 [0,1,0,0,0,0|2,0,0]=3 6925 B13R0.336 C=CCCCCOCCOCCCC 34a_100000210238_100011215482 [0,1,0,0,0,0|2,0,0]=3 6926 B13R0.336 C=CCCCCOCCOCCCC 34a_100000766645_100000743108 [0,1,0,0,0,0|2,0,0]=3 6927 B13R0.336 C=CCCCCOCCOCCCC 7a_100000210238_100011215482 [0,1,0,0,0,0|2,0,0]=3 6928 B13R0.336 C=CCCCCOCCOCCCC 7a_100000766645_100000743108 [0,1,0,0,0,0|2,0,0]=3 6929 B13R0.336 C=CCCCCOCCOCCNC 34a_100000228057_100011215482 [0,1,0,0,0,0|3,0,0]=4 6930 B13R0.336 C=CCCCCOCCOCCOC 34a_100000766645_100000695917 [0,1,0,0,0,0|3,0,0]=4 6931 B13R0.336 C=CCCCCOCCOCCOC 34a_100011215163_100011215482 [0,1,0,0,0,0|3,0,0]=4 6932 B13R0.336 C=CCCCCOCCOCCOC 7a_100000766645_100000695917 [0,1,0,0,0,0|3,0,0]=4 6933 B13R0.336 C=CCCCCOCCOCCOC 7a_100011215163_100011215482 [0,1,0,0,0,0|3,0,0]=4 6934 B13R0.336 C=CCCCCOCCSCCCC 34a_200000230436_100011215482 [0,1,0,0,0,0|2,0,0]=3 6935 B13R0.336 C=CCCCCOCCSCCCC 7a_200000230436_100011215482 [0,1,0,0,0,0|2,0,0]=3 6936 B13R0.336 C=CCCCCSCCCCCC#N 62a_100009813376_100011215482 [0,1,0,0,0,0|2,0,1]=4 6937 B13R0.336 C=CCCCCSCCCCCC#N 62a_100011215482_100009813376 [0,1,0,0,0,0|2,0,1]=4 6938 B13R0.336 C=CCCCCSCCCCCC=O 62a_100000139337_100011215482 [0,1,0,0,0,0|0,0,2]=3 6939 B13R0.336 C=CCCCCSCCCCCC=O 62a_100011215482_100000139337 [0,1,0,0,0,0|0,0,2]=3 6940 B13R0.336 C=CCCCCSCCCCCCC 62a_100000210614_100011215482 [0,1,0,0,0,0|1,0,0]=2 6941 B13R0.336 C=CCCCCSCCCCCCC 62a_100011215482_100000210316 [0,1,0,0,0,0|1,0,0]=2 6942 B13R0.336 C=CCCCCSCCCCCCF 62a_100011215482_100015922095 [0,1,0,0,0,0|2,0,0]=3 6943 B13R0.336 C=CCCCCSCCCCCCF 62a_100015922095_100011215482 [0,1,0,0,0,0|2,0,0]=3 6944 B13R0.336 C=CCCCCSCCCCCCO 62a_100000766143_100011215482 [0,1,0,0,0,0|2,0,0]=3 6945 B13R0.336 C=CCCCCSCCCCCCO 62a_100011215482_100000766143 [0,1,0,0,0,0|2,0,0]=3 6946 B13R0.336 C=CCCCCSCCOCCCC 62a_100000743108_100011215482 [0,1,0,0,0,0|2,0,0]=3 6947 B13R0.336 C=CCCCCSCCOCCCC 62a_100011215482_100000743108 [0,1,0,0,0,0|2,0,0]=3 6948 B13R0.336 C=CCCCCSCCOCCOC 62a_100000695917_100011215482 [0,1,0,0,0,0|3,0,0]=4 6949 B13R0.336 C=CCCCCSCCOCCOC 62a_100011215482_100000695917 [0,1,0,0,0,0|3,0,0]=4 6950 B13R0.336 C=CCCCNCC#CCCCCC 2230a_100000700776_100009816472 [0,1,0,0,0,0|1,0,2]=4 6951 B13R0.336 C=CCCCNCC#CCCCCC 34a_100000700776_100009816472 [0,1,0,0,0,0|1,0,2]=4 6952 B13R0.336 C=CCCCNCCCCCCC#N 2230a_100000700776_100009813337 [0,1,0,0,0,0|2,0,1]=4 6953 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000229939_100011713584 [0,1,0,0,0,0|1,0,0]=2 6954 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000700776_100000210759 [0,1,0,0,0,0|1,0,0]=2 6955 B13R0.336 C=CCCCNCCCCCCCC 34a_100000229939_100000757094 [0,1,0,0,0,0|1,0,0]=2 6956 B13R0.336 C=CCCCNCCCCCCCC 34a_100000700776_100000210759 [0,1,0,0,0,0|1,0,0]=2 6957 B13R0.336 C=CCCCNCCCCCCCO 2230a_100000700776_100000760002 [0,1,0,0,0,0|2,0,0]=3 6958 B13R0.336 C=CCCCNCCCCCCCO 2230a_100011996573_100011713584 [0,1,0,0,0,0|2,0,0]=3 6959 B13R0.336 C=CCCCNCCCCCCCO 34a_100000700776_100000760002 [0,1,0,0,0,0|2,0,0]=3 6960 B13R0.336 C=CCCCNCCCCCCCO 34a_100011996573_100000757094 [0,1,0,0,0,0|2,0,0]=3 6961 B13R0.336 C=CCCCNCCCCCCOC 2230a_100000700776_100011998445 [0,1,0,0,0,0|2,0,0]=3 6962 B13R0.336 C=CCCCNCCCCCCOC 34a_100000700776_100011998445 [0,1,0,0,0,0|2,0,0]=3 6963 B13R0.336 C=CCCCNCCCOCCCC 2230a_200000211371_100011713584 [0,1,0,0,0,0|2,0,0]=3 6964 B13R0.336 C=CCCCNCCCOCCCC 34a_200000211371_100000757094 [0,1,0,0,0,0|2,0,0]=3 6965 B13R0.336 C=CCCCNCCCOCCCO 2230a_100011310245_100011713584 [0,1,0,0,0,0|3,0,0]=4 6966 B13R0.336 C=CCCCNCCCOCCCO 34a_100011310245_100000757094 [0,1,0,0,0,0|3,0,0]=4 6967 B13R0.336 C=CCCCNCCCOCCOC 2230a_100000206027_100011713584 [0,1,0,0,0,0|3,0,0]=4 6968 B13R0.336 C=CCCCNCCCOCCOC 2230a_100000700776_100011216529 [0,1,0,0,0,0|3,0,0]=4 6969 B13R0.336 C=CCCCNCCCOCCOC 34a_100000206027_100000757094 [0,1,0,0,0,0|3,0,0]=4 6970 B13R0.336 C=CCCCNCCCOCCOC 34a_100000700776_100011216529 [0,1,0,0,0,0|3,0,0]=4 6971 B13R0.336 C=CCCCNCCOCCOCC 2230a_100000700776_100011211534 [0,1,0,0,0,0|3,0,0]=4 6972 B13R0.336 C=CCCCNCCOCCOCC 2230a_100102712874_100011713584 [0,1,0,0,0,0|3,0,0]=4 6973 B13R0.336 C=CCCCNCCOCCOCC 34a_100000700776_100011211534 [0,1,0,0,0,0|3,0,0]=4 6974 B13R0.336 C=CCCCNCCOCCOCC 34a_100102712874_100000757094 [0,1,0,0,0,0|3,0,0]=4 6975 B13R0.336 C=CCCCOC/C=C/CCCCC 34a_100016258190_100000757094 [0,1,0,0,0,0|1,0,2]=4 6976 B13R0.336 C=CCCCOC/C=C/CCCCC 7a_100016258190_100000757094 [0,1,0,0,0,0|1,0,2]=4 6977 B13R0.336 C=CCCCOCC#CCCCCC 34a_100000758997_100009816472 [0,1,0,0,0,0|1,0,2]=4 6978 B13R0.336 C=CCCCOCC#CCCCCC 34a_200000033628_100000757094 [0,1,0,0,0,0|1,0,2]=4 6979 B13R0.336 C=CCCCOCC#CCCCCC 7a_100000758997_100009816472 [0,1,0,0,0,0|1,0,2]=4 6980 B13R0.336 C=CCCCOCC#CCCCCC 7a_200000033628_100000757094 [0,1,0,0,0,0|1,0,2]=4 6981 B13R0.336 C=CCCCOCC/C=C\CCCC 34a_200016286491_100000757094 [0,1,0,0,0,0|1,0,2]=4 6982 B13R0.336 C=CCCCOCC/C=C\CCCC 7a_200016286491_100000757094 [0,1,0,0,0,0|1,0,2]=4 6983 B13R0.336 C=CCCCOCCC#CCCCC 34a_100000037610_100000757094 [0,1,0,0,0,0|1,0,2]=4 6984 B13R0.336 C=CCCCOCCC#CCCCC 7a_100000037610_100000757094 [0,1,0,0,0,0|1,0,2]=4 6985 B13R0.336 C=CCCCOCCCC/C=C\CC 34a_100016287862_100000757094 [0,1,0,0,0,0|1,0,2]=4 6986 B13R0.336 C=CCCCOCCCC/C=C\CC 7a_100016287862_100000757094 [0,1,0,0,0,0|1,0,2]=4 6987 B13R0.336 C=CCCCOCCCCCCC#N 7a_100000758997_100009813337 [0,1,0,0,0,0|2,0,1]=4 6988 B13R0.336 C=CCCCOCCCCCCCBr 34a_100000760002_100000757094 [0,1,0,0,0,0|2,0,0]=3 6989 B13R0.336 C=CCCCOCCCCCCCBr 7a_100000760002_100000757094 [0,1,0,0,0,0|2,0,0]=3 6990 B13R0.336 C=CCCCOCCCCCCCC 34a_100000210232_100000757094 [0,1,0,0,0,0|1,0,0]=2 6991 B13R0.336 C=CCCCOCCCCCCCC 34a_100000758997_100000210759 [0,1,0,0,0,0|1,0,0]=2 6992 B13R0.336 C=CCCCOCCCCCCCC 7a_100000210232_100000757094 [0,1,0,0,0,0|1,0,0]=2 6993 B13R0.336 C=CCCCOCCCCCCCC 7a_100000758997_100000210759 [0,1,0,0,0,0|1,0,0]=2 6994 B13R0.336 C=CCCCOCCCCCCCN 34a_100011996573_100000757094 [0,1,0,0,0,0|2,0,0]=3 6995 B13R0.336 C=CCCCOCCCCCCCO 34a_100000758997_100000760002 [0,1,0,0,0,0|2,0,0]=3 6996 B13R0.336 C=CCCCOCCCCCCCO 7a_100000758997_100000760002 [0,1,0,0,0,0|2,0,0]=3 6997 B13R0.336 C=CCCCOCCCCCCOC 34a_100000758997_100011998445 [0,1,0,0,0,0|2,0,0]=3 6998 B13R0.336 C=CCCCOCCCCCCOC 34a_200012092642_100000757094 [0,1,0,0,0,0|2,0,0]=3 6999 B13R0.336 C=CCCCOCCCCCCOC 7a_100000758997_100011998445 [0,1,0,0,0,0|2,0,0]=3 7000 B13R0.336 C=CCCCOCCCCCCOC 7a_200012092642_100000757094 [0,1,0,0,0,0|2,0,0]=3 7001 B13R0.336 C=CCCCOCCCOCCCC 34a_200011215613_100000757094 [0,1,0,0,0,0|2,0,0]=3 7002 B13R0.336 C=CCCCOCCCOCCCC 7a_200011215613_100000757094 [0,1,0,0,0,0|2,0,0]=3 7003 B13R0.336 C=CCCCOCCCOCCCN 34a_100011310245_100000757094 [0,1,0,0,0,0|3,0,0]=4 7004 B13R0.336 C=CCCCOCCCOCCOC 34a_100000758997_100011216529 [0,1,0,0,0,0|3,0,0]=4 7005 B13R0.336 C=CCCCOCCCOCCOC 7a_100000758997_100011216529 [0,1,0,0,0,0|3,0,0]=4 7006 B13R0.336 C=CCCCOCCNCCCCC 34a_100000224656_100000757094 [0,1,0,0,0,0|2,0,0]=3 7007 B13R0.336 C=CCCCOCCOCCCCC 34a_100011215259_100000757094 [0,1,0,0,0,0|2,0,0]=3 7008 B13R0.336 C=CCCCOCCOCCCCC 7a_100011215259_100000757094 [0,1,0,0,0,0|2,0,0]=3 7009 B13R0.336 C=CCCCOCCOCCOCC 34a_100000210240_100000757094 [0,1,0,0,0,0|3,0,0]=4 7010 B13R0.336 C=CCCCOCCOCCOCC 34a_100000758997_100011211534 [0,1,0,0,0,0|3,0,0]=4 7011 B13R0.336 C=CCCCOCCOCCOCC 7a_100000210240_100000757094 [0,1,0,0,0,0|3,0,0]=4 7012 B13R0.336 C=CCCCOCCOCCOCC 7a_100000758997_100011211534 [0,1,0,0,0,0|3,0,0]=4 7013 B13R0.336 C=CCCCSCC#CCCCCC 62a_100009816472_100000757094 [0,1,0,0,0,0|1,0,2]=4 7014 B13R0.336 C=CCCCSCC#CCCCCC 62a_100011713584_100009816472 [0,1,0,0,0,0|1,0,2]=4 7015 B13R0.336 C=CCCCSCCCCCCC#N 62a_100009813337_100000757094 [0,1,0,0,0,0|2,0,1]=4 7016 B13R0.336 C=CCCCSCCCCCCC#N 62a_100011713584_100009813337 [0,1,0,0,0,0|2,0,1]=4 7017 B13R0.336 C=CCCCSCCCCCCCC 62a_100000210759_100000757094 [0,1,0,0,0,0|1,0,0]=2 7018 B13R0.336 C=CCCCSCCCCCCCC 62a_100011713584_100000210317 [0,1,0,0,0,0|1,0,0]=2 7019 B13R0.336 C=CCCCSCCCCCCCO 62a_100000760002_100000757094 [0,1,0,0,0,0|2,0,0]=3 7020 B13R0.336 C=CCCCSCCCCCCCO 62a_100011713584_100000760002 [0,1,0,0,0,0|2,0,0]=3 7021 B13R0.336 C=CCCCSCCCCCCOC 62a_100011713584_100011998445 [0,1,0,0,0,0|2,0,0]=3 7022 B13R0.336 C=CCCCSCCCCCCOC 62a_100011998445_100000757094 [0,1,0,0,0,0|2,0,0]=3 7023 B13R0.336 C=CCCCSCCCOCCOC 62a_100011216529_100000757094 [0,1,0,0,0,0|3,0,0]=4 7024 B13R0.336 C=CCCCSCCCOCCOC 62a_100011713584_100011216529 [0,1,0,0,0,0|3,0,0]=4 7025 B13R0.336 C=CCCCSCCOCCOCC 62a_100011211534_100000757094 [0,1,0,0,0,0|3,0,0]=4 7026 B13R0.336 C=CCCCSCCOCCOCC 62a_100011713584_100011211534 [0,1,0,0,0,0|3,0,0]=4 7027 B13R0.336 C=CCCNCCCC#CCCCC 2230a_100015191253_200000047210 [0,1,0,0,0,0|1,0,2]=4 7028 B13R0.336 C=CCCNCCCCC/C=C\CC 269862a_100015191253_100016288537 [0,1,0,0,0,0|1,0,2]=4 7029 B13R0.336 C=CCCNCCCCCCCCC 2230a_100000212291_100000754431 [0,1,0,0,0,0|1,0,0]=2 7030 B13R0.336 C=CCCNCCCCCCCCC 2230a_100015191253_100011214924 [0,1,0,0,0,0|1,0,0]=2 7031 B13R0.336 C=CCCNCCCCCCCCC 34a_100000212291_100000754431 [0,1,0,0,0,0|1,0,0]=2 7032 B13R0.336 C=CCCNCCCCCCCCO 2230a_100015191253_100000033203 [0,1,0,0,0,0|2,0,0]=3 7033 B13R0.336 C=CCCNCCCCCCCCO 2230a_102515433106_100000754431 [0,1,0,0,0,0|2,0,0]=3 7034 B13R0.336 C=CCCNCCCCCCCCO 34a_102515433106_100000754431 [0,1,0,0,0,0|2,0,0]=3 7035 B13R0.336 C=CCCNCCOCCOCCC 2230a_200011904461_100000754431 [0,1,0,0,0,0|3,0,0]=4 7036 B13R0.336 C=CCCNCCOCCOCCC 34a_200011904461_100000754431 [0,1,0,0,0,0|3,0,0]=4 7037 B13R0.336 C=CCCOC/C=C/CCCCCC 34a_200016276170_100000754431 [0,1,0,0,0,0|1,0,2]=4 7038 B13R0.336 C=CCCOC/C=C/CCCCCC 7a_200016276170_100000754431 [0,1,0,0,0,0|1,0,2]=4 7039 B13R0.336 C=CCCOCC#CCCCCCC 34a_200000037284_100000754431 [0,1,0,0,0,0|1,0,2]=4 7040 B13R0.336 C=CCCOCC#CCCCCCC 7a_200000037284_100000754431 [0,1,0,0,0,0|1,0,2]=4 7041 B13R0.336 C=CCCOCC/C=C\CCCCC 34a_100016277358_100000754431 [0,1,0,0,0,0|1,0,2]=4 7042 B13R0.336 C=CCCOCC/C=C\CCCCC 7a_100016277358_100000754431 [0,1,0,0,0,0|1,0,2]=4 7043 B13R0.336 C=CCCOCCC#CCCCCC 34a_200000042877_100000754431 [0,1,0,0,0,0|1,0,2]=4 7044 B13R0.336 C=CCCOCCC#CCCCCC 7a_200000042877_100000754431 [0,1,0,0,0,0|1,0,2]=4 7045 B13R0.336 C=CCCOCCCC#CCCCC 34a_100011205117_200000047210 [0,1,0,0,0,0|1,0,2]=4 7046 B13R0.336 C=CCCOCCCCC/C=C\CC 34a_100016268722_100000754431 [0,1,0,0,0,0|1,0,2]=4 7047 B13R0.336 C=CCCOCCCCC/C=C\CC 7a_100016268722_100000754431 [0,1,0,0,0,0|1,0,2]=4 7048 B13R0.336 C=CCCOCCCCCCCCBr 34a_100009813846_100000754431 [0,1,0,0,0,0|2,0,0]=3 7049 B13R0.336 C=CCCOCCCCCCCCBr 7a_100009813846_100000754431 [0,1,0,0,0,0|2,0,0]=3 7050 B13R0.336 C=CCCOCCCCCCCCC 34a_100000210712_100000754431 [0,1,0,0,0,0|1,0,0]=2 7051 B13R0.336 C=CCCOCCCCCCCCC 34a_100011205117_100011214924 [0,1,0,0,0,0|1,0,0]=2 7052 B13R0.336 C=CCCOCCCCCCCCC 7a_100000210712_100000754431 [0,1,0,0,0,0|1,0,0]=2 7053 B13R0.336 C=CCCOCCCCCCCCCl 34a_100000033203_100000754431 [0,1,0,0,0,0|2,0,0]=3 7054 B13R0.336 C=CCCOCCCCCCCCCl 7a_100000033203_100000754431 [0,1,0,0,0,0|2,0,0]=3 7055 B13R0.336 C=CCCOCCCCCCCCN 34a_102515433106_100000754431 [0,1,0,0,0,0|2,0,0]=3 7056 B13R0.336 C=CCCOCCCCCCCCO 34a_100011205117_100000033203 [0,1,0,0,0,0|2,0,0]=3 7057 B13R0.336 C=CCCOCCCCCNCCN 34a_103619048469_100000754431 [0,1,0,0,0,0|3,0,0]=4 7058 B13R0.336 C=CCCOCCCCNCCCC 34a_200011216965_100000754431 [0,1,0,0,0,0|2,0,0]=3 7059 B13R0.336 C=CCCOCCCCOCCCC 34a_200000760531_100000754431 [0,1,0,0,0,0|2,0,0]=3 7060 B13R0.336 C=CCCOCCCCOCCCC 7a_200000760531_100000754431 [0,1,0,0,0,0|2,0,0]=3 7061 B13R0.336 C=CCCOCCCOCCCOC 34a_200011215475_100000754431 [0,1,0,0,0,0|3,0,0]=4 7062 B13R0.336 C=CCCOCCCOCCCOC 7a_200011215475_100000754431 [0,1,0,0,0,0|3,0,0]=4 7063 B13R0.336 C=CCCOCCOCCCCCC 34a_100000691444_100000754431 [0,1,0,0,0,0|2,0,0]=3 7064 B13R0.336 C=CCCOCCOCCCCCC 7a_100000691444_100000754431 [0,1,0,0,0,0|2,0,0]=3 7065 B13R0.336 C=CCCSCCCC#CCCCC 62a_100000754431_200000047210 [0,1,0,0,0,0|1,0,2]=4 7066 B13R0.336 C=CCCSCCCC#CCCCC 62a_200000047210_100000754431 [0,1,0,0,0,0|1,0,2]=4 7067 B13R0.336 C=CCCSCCCCCCCCC 62a_100000754431_100000210670 [0,1,0,0,0,0|1,0,0]=2 7068 B13R0.336 C=CCCSCCCCCCCCO 62a_100000033203_100000754431 [0,1,0,0,0,0|2,0,0]=3 7069 B13R0.336 C=CCCSCCCCCCCCO 62a_100000754431_100000033203 [0,1,0,0,0,0|2,0,0]=3 7070 B13R0.336 C=CCNCCCCCCC#CCC 2230a_100020586998_200000036426 [0,1,0,0,0,0|1,0,2]=4 7071 B13R0.336 C=CCNCCCCCCCCCC 2230a_100000684558_100000210623 [0,1,0,0,0,0|1,0,0]=2 7072 B13R0.336 C=CCNCCCCCCCCCC 2230a_100020586998_100000210320 [0,1,0,0,0,0|1,0,0]=2 7073 B13R0.336 C=CCNCCCCCCCCCC 34a_100000684558_100015514636 [0,1,0,0,0,0|1,0,0]=2 7074 B13R0.336 C=CCNCCCCCCCCCO 2230a_100000078944_100000210623 [0,1,0,0,0,0|2,0,0]=3 7075 B13R0.336 C=CCNCCCCCCCCCO 2230a_100020586998_100009813782 [0,1,0,0,0,0|2,0,0]=3 7076 B13R0.336 C=CCNCCCCCCCCCO 34a_100000078944_100015514636 [0,1,0,0,0,0|2,0,0]=3 7077 B13R0.336 C=CCOCC#CCCCCCCC 34a_200000061759_100015514636 [0,1,0,0,0,0|1,0,2]=4 7078 B13R0.336 C=CCOCC#CCCCCCCC 7a_200000061759_100015514636 [0,1,0,0,0,0|1,0,2]=4 7079 B13R0.336 C=CCOCCC#CCCCCCC 34a_200000033163_100015514636 [0,1,0,0,0,0|1,0,2]=4 7080 B13R0.336 C=CCOCCC#CCCCCCC 7a_200000033163_100015514636 [0,1,0,0,0,0|1,0,2]=4 7081 B13R0.336 C=CCOCCC/C=C\CCCCC 34a_100020655193_100015514636 [0,1,0,0,0,0|1,0,2]=4 7082 B13R0.336 C=CCOCCC/C=C\CCCCC 7a_100020655193_100015514636 [0,1,0,0,0,0|1,0,2]=4 7083 B13R0.336 C=CCOCCCC/C=C/CCCC 34a_200020645093_100015514636 [0,1,0,0,0,0|1,0,2]=4 7084 B13R0.336 C=CCOCCCC/C=C/CCCC 7a_200020645093_100015514636 [0,1,0,0,0,0|1,0,2]=4 7085 B13R0.336 C=CCOCCCCC#CCCCC 34a_200000066234_100015514636 [0,1,0,0,0,0|1,0,2]=4 7086 B13R0.336 C=CCOCCCCC#CCCCC 7a_200000066234_100015514636 [0,1,0,0,0,0|1,0,2]=4 7087 B13R0.336 C=CCOCCCCCCC#CCC 34a_200000210373_200000036426 [0,1,0,0,0,0|1,0,2]=4 7088 B13R0.336 C=CCOCCCCCCCCCBr 34a_100009813782_100015514636 [0,1,0,0,0,0|2,0,0]=3 7089 B13R0.336 C=CCOCCCCCCCCCBr 7a_100009813782_100015514636 [0,1,0,0,0,0|2,0,0]=3 7090 B13R0.336 C=CCOCCCCCCCCCC 34a_100000210711_100015514636 [0,1,0,0,0,0|1,0,0]=2 7091 B13R0.336 C=CCOCCCCCCCCCC 34a_200000210373_100000210320 [0,1,0,0,0,0|1,0,0]=2 7092 B13R0.336 C=CCOCCCCCCCCCC 7a_100000210711_100015514636 [0,1,0,0,0,0|1,0,0]=2 7093 B13R0.336 C=CCOCCCCCCCCCCl 34a_100009868337_100015514636 [0,1,0,0,0,0|2,0,0]=3 7094 B13R0.336 C=CCOCCCCCCCCCCl 7a_100009868337_100015514636 [0,1,0,0,0,0|2,0,0]=3 7095 B13R0.336 C=CCOCCCCCCCCCN 34a_100000078944_100015514636 [0,1,0,0,0,0|2,0,0]=3 7096 B13R0.336 C=CCOCCCCCCCCCO 34a_200000210373_100009813782 [0,1,0,0,0,0|2,0,0]=3 7097 B13R0.336 C=CCOCCOCCCCCC=O 7a_100000037705_100000139337 [0,1,0,0,0,0|1,0,2]=4 7098 B13R0.336 C=CCOCCOCCCCCCC 34a_100000037705_100000210614 [0,1,0,0,0,0|2,0,0]=3 7099 B13R0.336 C=CCOCCOCCCCCCC 7a_100000037705_100000210614 [0,1,0,0,0,0|2,0,0]=3 7100 B13R0.336 C=CCOCCOCCCCCCF 34a_100000037705_100015922095 [0,1,0,0,0,0|3,0,0]=4 7101 B13R0.336 C=CCOCCOCCCCCCF 7a_100000037705_100015922095 [0,1,0,0,0,0|3,0,0]=4 7102 B13R0.336 C=CCOCCOCCCCCCO 34a_100000037705_100000766143 [0,1,0,0,0,0|3,0,0]=4 7103 B13R0.336 C=CCOCCOCCCCCCO 7a_100000037705_100000766143 [0,1,0,0,0,0|3,0,0]=4 7104 B13R0.336 C=CCOCCOCCOCCCC 34a_100000037705_100000743108 [0,1,0,0,0,0|3,0,0]=4 7105 B13R0.336 C=CCOCCOCCOCCCC 34a_100000065479_100000210210 [0,1,0,0,0,0|3,0,0]=4 7106 B13R0.336 C=CCOCCOCCOCCCC 34a_100011215186_100015514636 [0,1,0,0,0,0|3,0,0]=4 7107 B13R0.336 C=CCOCCOCCOCCCC 7a_100000037705_100000743108 [0,1,0,0,0,0|3,0,0]=4 7108 B13R0.336 C=CCOCCOCCOCCCC 7a_100000065479_100000210211 [0,1,0,0,0,0|3,0,0]=4 7109 B13R0.336 C=CCOCCOCCOCCCC 7a_100011215186_100015514636 [0,1,0,0,0,0|3,0,0]=4 7110 B13R0.336 C=CCSCCCCCCC#CCC 62a_100000210623_200000036426 [0,1,0,0,0,0|1,0,2]=4 7111 B13R0.336 C=CCSCCCCCCC#CCC 62a_200000036426_100000210623 [0,1,0,0,0,0|1,0,2]=4 7112 B13R0.336 C=CCSCCCCCCCCCC 62a_100000210623_100000210320 [0,1,0,0,0,0|1,0,0]=2 7113 B13R0.336 C=CCSCCCCCCCCCO 62a_100000210623_100009813782 [0,1,0,0,0,0|2,0,0]=3 7114 B13R0.336 C=CCSCCCCCCCCCO 62a_100009813782_100000210623 [0,1,0,0,0,0|2,0,0]=3 7115 B13R0.336 C=COCCCCOCCCCC=O 7a_100000031558_100000139335 [0,1,0,0,0,0|1,0,2]=4 7116 B13R0.336 C=COCCCCOCCCCCC 34a_100000031558_100000210314 [0,1,0,0,0,0|2,0,0]=3 7117 B13R0.336 C=COCCCCOCCCCCC 7a_100000031558_100000210314 [0,1,0,0,0,0|2,0,0]=3 7118 B13R0.336 C=COCCCCOCCCCCF 34a_100000031558_100000729378 [0,1,0,0,0,0|3,0,0]=4 7119 B13R0.336 C=COCCCCOCCCCCF 7a_100000031558_100000729378 [0,1,0,0,0,0|3,0,0]=4 7120 B13R0.336 C=COCCCCOCCCCCO 34a_100000031558_100000746330 [0,1,0,0,0,0|3,0,0]=4 7121 B13R0.336 C=COCCCCOCCCCCO 7a_100000031558_100000746330 [0,1,0,0,0,0|3,0,0]=4 7122 B13R0.336 C=COCCCCOCCCCOC 34a_100000031558_100000755781 [0,1,0,0,0,0|3,0,0]=4 7123 B13R0.336 C=COCCCCOCCCCOC 7a_100000031558_100000730899 [0,1,0,0,0,0|3,0,0]=4 7124 B13R0.336 C=COCCCCOCCCOCC 34a_100000031558_100012232248 [0,1,0,0,0,0|3,0,0]=4 7125 B13R0.336 C=COCCCCOCCCOCC 7a_100000031558_100012232248 [0,1,0,0,0,0|3,0,0]=4 7126 B13R0.336 C=COCCCCOCCOCCC 34a_100000031558_100011215938 [0,1,0,0,0,0|3,0,0]=4 7127 B13R0.336 C=COCCCCOCCOCCC 7a_100000031558_100011215938 [0,1,0,0,0,0|3,0,0]=4 7128 B13R0.336 C=COCCCCOCOCCCC 34a_100000031558_100011995733 [0,1,0,0,0,0|3,0,0]=4 7129 B13R0.336 C=COCCCNCCCCCC=O 2230a_100000210767_100000139337 [0,1,0,0,0,0|1,0,2]=4 7130 B13R0.336 C=COCCCNCCCCCCC 2230a_100000210767_100000210681 [0,1,0,0,0,0|2,0,0]=3 7131 B13R0.336 C=COCCCNCCCCCCC 34a_100000210767_100000210614 [0,1,0,0,0,0|2,0,0]=3 7132 B13R0.336 C=COCCCNCCCCCCF 2230a_100000210767_100015922095 [0,1,0,0,0,0|3,0,0]=4 7133 B13R0.336 C=COCCCNCCCCCCF 34a_100000210767_100015922095 [0,1,0,0,0,0|3,0,0]=4 7134 B13R0.336 C=COCCCNCCCCCCO 2230a_100000210767_100000766143 [0,1,0,0,0,0|3,0,0]=4 7135 B13R0.336 C=COCCCNCCCCCCO 34a_100000210767_100000766143 [0,1,0,0,0,0|3,0,0]=4 7136 B13R0.336 C=COCCCNCCOCCCC 2230a_100000210767_100000743108 [0,1,0,0,0,0|3,0,0]=4 7137 B13R0.336 C=COCCCNCCOCCCC 34a_100000210767_100000743108 [0,1,0,0,0,0|3,0,0]=4 7138 B13R0.336 C=COCCNCCCCCCCC 2230a_100000229939_100000039644 [0,1,0,0,0,0|2,0,0]=3 7139 B13R0.336 C=COCCNCCCCCCCC 34a_100000229939_100000039644 [0,1,0,0,0,0|2,0,0]=3 7140 B13R0.336 C=COCCNCCCCCCCO 2230a_100011996573_100000039644 [0,1,0,0,0,0|3,0,0]=4 7141 B13R0.336 C=COCCNCCCCCCCO 34a_100011996573_100000039644 [0,1,0,0,0,0|3,0,0]=4 7142 B13R0.336 C=COCCNCCCOCCCC 2230a_200000211371_100000039644 [0,1,0,0,0,0|3,0,0]=4 7143 B13R0.336 C=COCCNCCCOCCCC 34a_200000211371_100000039644 [0,1,0,0,0,0|3,0,0]=4 7144 B13R0.336 C=COCCOCCCCCCCBr 34a_100000760002_100000039644 [0,1,0,0,0,0|3,0,0]=4 7145 B13R0.336 C=COCCOCCCCCCCBr 7a_100000760002_100000039644 [0,1,0,0,0,0|3,0,0]=4 7146 B13R0.336 C=COCCOCCCCCCCC 34a_100000033082_100000210759 [0,1,0,0,0,0|2,0,0]=3 7147 B13R0.336 C=COCCOCCCCCCCC 34a_100000210232_100000039644 [0,1,0,0,0,0|2,0,0]=3 7148 B13R0.336 C=COCCOCCCCCCCC 7a_100000210232_100000039644 [0,1,0,0,0,0|2,0,0]=3 7149 B13R0.336 C=COCCOCCCCCCCN 34a_100011996573_100000039644 [0,1,0,0,0,0|3,0,0]=4 7150 B13R0.336 C=COCCOCCCCCCCO 34a_100000033082_100000760002 [0,1,0,0,0,0|3,0,0]=4 7151 B13R0.336 C=COCCOCCCCCCOC 34a_100000033082_100011998445 [0,1,0,0,0,0|3,0,0]=4 7152 B13R0.336 C=COCCOCCCCCCOC 34a_200012092642_100000039644 [0,1,0,0,0,0|3,0,0]=4 7153 B13R0.336 C=COCCOCCCCCCOC 7a_200012092642_100000039644 [0,1,0,0,0,0|3,0,0]=4 7154 B13R0.336 C=COCCOCCCOCCCC 34a_200011215613_100000039644 [0,1,0,0,0,0|3,0,0]=4 7155 B13R0.336 C=COCCOCCCOCCCC 7a_200011215613_100000039644 [0,1,0,0,0,0|3,0,0]=4 7156 B13R0.336 C=COCCOCCNCCCCC 34a_100000224656_100000039644 [0,1,0,0,0,0|3,0,0]=4 7157 B13R0.336 C=COCCOCCOCCCCC 34a_100000039918_100000718602 [0,1,0,0,0,0|3,0,0]=4 7158 B13R0.336 C=COCCOCCOCCCCC 34a_100011215259_100000039644 [0,1,0,0,0,0|3,0,0]=4 7159 B13R0.336 C=COCCOCCOCCCCC 7a_100000039918_100000210326 [0,1,0,0,0,0|3,0,0]=4 7160 B13R0.336 C=COCCOCCOCCCCC 7a_100011215259_100000039644 [0,1,0,0,0,0|3,0,0]=4 7161 B13R0.336 C=COCCSCCCCCCCC 62a_100000039644_100000210317 [0,1,0,0,0,0|2,0,0]=3 7162 B13R0.336 C=COCCSCCCCCCCC 62a_100000210759_100000039644 [0,1,0,0,0,0|2,0,0]=3 7163 B13R0.336 C=COCCSCCCCCCCO 62a_100000039644_100000760002 [0,1,0,0,0,0|3,0,0]=4 7164 B13R0.336 C=COCCSCCCCCCCO 62a_100000760002_100000039644 [0,1,0,0,0,0|3,0,0]=4 7165 B13R0.336 C=COCCSCCCCCCOC 62a_100000039644_100011998445 [0,1,0,0,0,0|3,0,0]=4 7166 B13R0.336 C=COCCSCCCCCCOC 62a_100011998445_100000039644 [0,1,0,0,0,0|3,0,0]=4 7167 B13R0.336 CC#CCCOCCCCCCCC 34a_100000750427_100000210759 [0,1,0,0,0,0|1,0,2]=4 7168 B13R0.336 CC#CCNCCCCCCCCC 2230a_100000212291_100000748600 [0,1,0,0,0,0|1,0,2]=4 7169 B13R0.336 CC#CCNCCCCCCCCC 2230a_100000685387_100011214924 [0,1,0,0,0,0|1,0,2]=4 7170 B13R0.336 CC#CCNCCCCCCCCC 34a_100000212291_100000748600 [0,1,0,0,0,0|1,0,2]=4 7171 B13R0.336 CC#CCNCCCCCCCCC 34a_100000685387_100011214924 [0,1,0,0,0,0|1,0,2]=4 7172 B13R0.336 CC#CCOCCCCCCCCC 34a_100000210712_100000748600 [0,1,0,0,0,0|1,0,2]=4 7173 B13R0.336 CC#CCOCCCCCCCCC 34a_100000761923_100011214924 [0,1,0,0,0,0|1,0,2]=4 7174 B13R0.336 CC#CCOCCCCCCCCC 7a_100000210712_100000748600 [0,1,0,0,0,0|1,0,2]=4 7175 B13R0.336 CC#CCSCCCCCCCCC 62a_100000748600_100000210670 [0,1,0,0,0,0|1,0,2]=4 7176 B13R0.336 CC/C=C/CCCOCCCCC=O 7a_100016287902_100000139335 [0,1,0,0,0,0|0,0,2]=3 7177 B13R0.336 CC/C=C/CCCOCCCCCC 34a_100016287902_100000210314 [0,1,0,0,0,0|2,0,1]=4 7178 B13R0.336 CC/C=C/CCCOCCCCCC 7a_100016287902_100000210314 [0,1,0,0,0,0|2,0,1]=4 7179 B13R0.336 CC/C=C\CCCCCCCNCC 269862a_100015525214_200025770492 [0,1,0,0,0,0|2,0,1]=4 7180 B13R0.336 CC/C=C\CCCCCNCCCC 269862a_100000102301_100016288537 [0,1,0,0,0,0|2,0,1]=4 7181 B13R0.336 CC/C=C\CCCCCOCCCC 34a_100016268722_100000210210 [0,1,0,0,0,0|2,0,1]=4 7182 B13R0.336 CC/C=C\CCCCCOCCCC 7a_100016268722_100000210211 [0,1,0,0,0,0|2,0,1]=4 7183 B13R0.336 CC/C=C\CCCCOCCCC=O 7a_100016287862_200011292268 [0,1,0,0,0,0|0,0,2]=3 7184 B13R0.336 CC/C=C\CCCCOCCCCC 34a_100016287862_100000718602 [0,1,0,0,0,0|2,0,1]=4 7185 B13R0.336 CC/C=C\CCCCOCCCCC 7a_100016287862_100000210326 [0,1,0,0,0,0|2,0,1]=4 7186 B13R0.336 CC/C=C\CCNCCCCCCC 2230a_100000229938_100015370543 [0,1,0,0,0,0|2,0,1]=4 7187 B13R0.336 CC/C=C\CCOCCCCCC=O 7a_100016288707_100000139337 [0,1,0,0,0,0|0,0,2]=3 7188 B13R0.336 CC/C=C\CCOCCCCCCC 34a_100000210272_100015370543 [0,1,0,0,0,0|2,0,1]=4 7189 B13R0.336 CC/C=C\CCOCCCCCCC 34a_100016288707_100000210614 [0,1,0,0,0,0|2,0,1]=4 7190 B13R0.336 CC/C=C\CCOCCCCCCC 7a_100000210272_100015370543 [0,1,0,0,0,0|2,0,1]=4 7191 B13R0.336 CC/C=C\CCOCCCCCCC 7a_100016288707_100000210614 [0,1,0,0,0,0|2,0,1]=4 7192 B13R0.336 CC/C=C\CCSCCCCCC=O 62a_100000139337_100015370543 [0,1,0,0,0,0|0,0,2]=3 7193 B13R0.336 CC/C=C\CCSCCCCCC=O 62a_100015370543_100000139337 [0,1,0,0,0,0|0,0,2]=3 7194 B13R0.336 CC/C=C\CCSCCCCCCC 62a_100000210614_100015370543 [0,1,0,0,0,0|2,0,1]=4 7195 B13R0.336 CC/C=C\CCSCCCCCCC 62a_100015370543_100000210316 [0,1,0,0,0,0|2,0,1]=4 7196 B13R0.336 CC/C=C\CNCCCCCCCC 2230a_100000229939_100103147603 [0,1,0,0,0,0|2,0,1]=4 7197 B13R0.336 CC/C=C\CNCCCCCCCC 34a_100000229939_100103147603 [0,1,0,0,0,0|2,0,1]=4 7198 B13R0.336 CC/C=C\COCCCCCCCC 34a_100000210232_100103147603 [0,1,0,0,0,0|2,0,1]=4 7199 B13R0.336 CC/C=C\COCCCCCCCC 34a_100016268518_100000210759 [0,1,0,0,0,0|2,0,1]=4 7200 B13R0.336 CC/C=C\COCCCCCCCC 7a_100000210232_100103147603 [0,1,0,0,0,0|2,0,1]=4 7201 B13R0.336 CC/C=C\CSCCCCCCCC 62a_100000210759_100103147603 [0,1,0,0,0,0|2,0,1]=4 7202 B13R0.336 CC/C=C\CSCCCCCCCC 62a_100103147603_100000210317 [0,1,0,0,0,0|2,0,1]=4 7203 B13R0.336 CC=C=CCCOCCCCCCC 34a_100011020354_100000210614 [0,1,0,0,0,0|1,0,2]=4 7204 B13R0.336 CC=CCCCOCCCCCCC 34a_100020645299_100000210614 [0,1,0,0,0,0|1,0,1]=3 7205 B13R0.336 CC=CCCCOCCCCCCF 34a_100020645299_100015922095 [0,1,0,0,0,0|2,0,1]=4 7206 B13R0.336 CC=CCCCOCCCCCCO 34a_100020645299_100000766143 [0,1,0,0,0,0|2,0,1]=4 7207 B13R0.336 CC=CCCCOCCOCCCC 34a_100020645299_100000743108 [0,1,0,0,0,0|2,0,1]=4 7208 B13R0.336 CC=CCNCCCCCCCCC 2230a_100000212291_100000070051 [0,1,0,0,0,0|1,0,1]=3 7209 B13R0.336 CC=CCNCCCCCCCCC 34a_100000212291_100000070051 [0,1,0,0,0,0|1,0,1]=3 7210 B13R0.336 CC=CCNCCCCCCCCO 2230a_102515433106_100000070051 [0,1,0,0,0,0|2,0,1]=4 7211 B13R0.336 CC=CCNCCCCCCCCO 34a_102515433106_100000070051 [0,1,0,0,0,0|2,0,1]=4 7212 B13R0.336 CC=CCOCCCCCCCCBr 34a_100009813846_100000070051 [0,1,0,0,0,0|2,0,1]=4 7213 B13R0.336 CC=CCOCCCCCCCCBr 7a_100009813846_100000070051 [0,1,0,0,0,0|2,0,1]=4 7214 B13R0.336 CC=CCOCCCCCCCCC 34a_100000210712_100000070051 [0,1,0,0,0,0|1,0,1]=3 7215 B13R0.336 CC=CCOCCCCCCCCC 7a_100000210712_100000070051 [0,1,0,0,0,0|1,0,1]=3 7216 B13R0.336 CC=CCOCCCCCCCCCl 34a_100000033203_100000070051 [0,1,0,0,0,0|2,0,1]=4 7217 B13R0.336 CC=CCOCCCCCCCCCl 7a_100000033203_100000070051 [0,1,0,0,0,0|2,0,1]=4 7218 B13R0.336 CC=CCOCCCCCCCCN 34a_102515433106_100000070051 [0,1,0,0,0,0|2,0,1]=4 7219 B13R0.336 CC=CCOCCCCNCCCC 34a_200011216965_100000070051 [0,1,0,0,0,0|2,0,1]=4 7220 B13R0.336 CC=CCOCCCCOCCCC 34a_200000760531_100000070051 [0,1,0,0,0,0|2,0,1]=4 7221 B13R0.336 CC=CCOCCCCOCCCC 7a_200000760531_100000070051 [0,1,0,0,0,0|2,0,1]=4 7222 B13R0.336 CC=CCOCCOCCCCCC 34a_100000691444_100000070051 [0,1,0,0,0,0|2,0,1]=4 7223 B13R0.336 CC=CCOCCOCCCCCC 7a_100000691444_100000070051 [0,1,0,0,0,0|2,0,1]=4 7224 B13R0.336 CC=CCSCCCCCCCCC 62a_100000070051_100000210670 [0,1,0,0,0,0|1,0,1]=3 7225 B13R0.336 CC=CCSCCCCCCCCO 62a_100000033203_100000070051 [0,1,0,0,0,0|2,0,1]=4 7226 B13R0.336 CC=CCSCCCCCCCCO 62a_100000070051_100000033203 [0,1,0,0,0,0|2,0,1]=4 7227 B13R0.336 CCC#CCCCCCCCCOC 34a_200000031908_200000210301 [0,1,0,0,0,0|2,0,1]=4 7228 B13R0.336 CCC#CCCCCCCCCOC 7a_200000031908_200000210301 [0,1,0,0,0,0|2,0,1]=4 7229 B13R0.336 CCC#CCCCCCCCCO[13CH3] 34a_200000031908_200025704644 [0,1,0,0,0,0|2,0,1]=4 7230 B13R0.336 CCC#CCCCCCCCCO[13CH3] 7a_200000031908_200025704644 [0,1,0,0,0,0|2,0,1]=4 7231 B13R0.336 CCC#CCCCCCCSCC=O 62a_200000036426_200015260668 [0,1,0,0,0,0|0,0,2]=3 7232 B13R0.336 CCC#CCCCCCCSCC=O 62a_200015260668_200000036426 [0,1,0,0,0,0|0,0,2]=3 7233 B13R0.336 CCC#CCCOCCCCCC=O 7a_100000036655_100000139337 [0,1,0,0,0,0|0,0,2]=3 7234 B13R0.336 CCC/C=C/COCCCCCC=O 7a_100016278788_100000139337 [0,1,0,0,0,0|0,0,2]=3 7235 B13R0.336 CCCC#CCCOCCCCC=O 7a_100000042726_100000139335 [0,1,0,0,0,0|0,0,2]=3 7236 B13R0.336 CCCC#CCOCCCCCC=O 7a_100000034806_100000139337 [0,1,0,0,0,0|0,0,2]=3 7237 B13R0.336 CCCC/C=C/CCCCOCC=O 34a_200020645093_200009817547 [0,1,0,0,0,0|0,0,2]=3 7238 B13R0.336 CCCC/C=C/CCCCOCC=O 7a_200020645093_200015260668 [0,1,0,0,0,0|0,0,2]=3 7239 B13R0.336 CCCC/C=C/COCCCCC=O 7a_200016272032_100000139335 [0,1,0,0,0,0|0,0,2]=3 7240 B13R0.336 CCCC/C=C\CCOCCCC=O 7a_200016286491_200011292268 [0,1,0,0,0,0|0,0,2]=3 7241 B13R0.336 CCCCC#CCCCCCCNC 2230a_106832991635_200000043322 [0,1,0,0,0,0|2,0,1]=4 7242 B13R0.336 CCCCC#CCCCCCCNC 34a_100102657272_200000043322 [0,1,0,0,0,0|2,0,1]=4 7243 B13R0.336 CCCCC#CCCCCCCNC 7a_106832991635_200000043322 [0,1,0,0,0,0|2,0,1]=4 7244 B13R0.336 CCCCC#CCCCCCCOC 34a_100138415774_200000043322 [0,1,0,0,0,0|2,0,1]=4 7245 B13R0.336 CCCCC#CCCCCCCSC 62a_200000043322_200000210301 [0,1,0,0,0,0|2,0,1]=4 7246 B13R0.336 CCCCC#CCCCCCCSC 62a_200000210301_200000043322 [0,1,0,0,0,0|2,0,1]=4 7247 B13R0.336 CCCCC#CCCCCCCS[13CH3] 62a_200000043322_200025704644 [0,1,0,0,0,0|2,0,1]=4 7248 B13R0.336 CCCCC#CCCCCCCS[13CH3] 62a_200025704644_200000043322 [0,1,0,0,0,0|2,0,1]=4 7249 B13R0.336 CCCCC#CCCCCOCC=O 34a_200000066234_200009817547 [0,1,0,0,0,0|0,0,2]=3 7250 B13R0.336 CCCCC#CCCCCOCC=O 7a_200000066234_200015260668 [0,1,0,0,0,0|0,0,2]=3 7251 B13R0.336 CCCCC#CCCOCCCC=O 7a_100000037610_200011292268 [0,1,0,0,0,0|0,0,2]=3 7252 B13R0.336 CCCCC#CCOCCCCC=O 7a_200000034558_100000139335 [0,1,0,0,0,0|0,0,2]=3 7253 B13R0.336 CCCCC/C=C/COCCCC=O 7a_100016258190_200011292268 [0,1,0,0,0,0|0,0,2]=3 7254 B13R0.336 CCCCC/C=C\CCCOCC=O 34a_100020655193_200009817547 [0,1,0,0,0,0|0,0,2]=3 7255 B13R0.336 CCCCC/C=C\CCCOCC=O 7a_100020655193_200015260668 [0,1,0,0,0,0|0,0,2]=3 7256 B13R0.336 CCCCCC#CCOCCCC=O 7a_200000033628_200011292268 [0,1,0,0,0,0|0,0,2]=3 7257 B13R0.336 CCCCCC#CCSCCCC=O 62a_100009816472_200011292268 [0,1,0,0,0,0|0,0,2]=3 7258 B13R0.336 CCCCCC#CCSCCCC=O 62a_200011292268_100009816472 [0,1,0,0,0,0|0,0,2]=3 7259 B13R0.336 CCCCCCC#CCCOCC=O 34a_200000033163_200009817547 [0,1,0,0,0,0|0,0,2]=3 7260 B13R0.336 CCCCCCC#CCCOCC=O 7a_200000033163_200015260668 [0,1,0,0,0,0|0,0,2]=3 7261 B13R0.336 CCCCCCCC#CCOCC=O 34a_200000061759_200009817547 [0,1,0,0,0,0|0,0,2]=3 7262 B13R0.336 CCCCCCCC#CCOCC=O 7a_200000061759_200015260668 [0,1,0,0,0,0|0,0,2]=3 7263 B13R0.336 CCCCCCCCC/C=C/COC 34a_100015232335_200000210301 [0,1,0,0,0,0|2,0,1]=4 7264 B13R0.336 CCCCCCCCC/C=C/COC 7a_100015232335_200000210301 [0,1,0,0,0,0|2,0,1]=4 7265 B13R0.336 CCCCCCCCC/C=C/CO[13CH3] 34a_100015232335_200025704644 [0,1,0,0,0,0|2,0,1]=4 7266 B13R0.336 CCCCCCCCC/C=C/CO[13CH3] 7a_100015232335_200025704644 [0,1,0,0,0,0|2,0,1]=4 7267 B13R0.336 CCCCCCCCCCCCNC 2230a_100000210451_200000210301 [0,1,0,0,0,0|1,0,1]=3 7268 B13R0.336 CCCCCCCCCCCCNC 2230a_106832991635_100011215052 [0,1,0,0,0,0|1,0,1]=3 7269 B13R0.336 CCCCCCCCCCCCNC 270004a_106832991635_100011218549 [0,1,0,0,0,0|1,0,1]=3 7270 B13R0.336 CCCCCCCCCCCCNC 34a_100000210451_200000210301 [0,1,0,0,0,0|1,0,1]=3 7271 B13R0.336 CCCCCCCCCCCCNC 34a_100102657272_100000759014 [0,1,0,0,0,0|1,0,1]=3 7272 B13R0.336 CCCCCCCCCCCCNC 7a_106832991635_100000759014 [0,1,0,0,0,0|1,0,1]=3 7273 B13R0.336 CCCCCCCCCCCCN[13CH3] 2230a_100000210451_200025704644 [0,1,0,0,0,0|1,0,1]=3 7274 B13R0.336 CCCCCCCCCCCCN[13CH3] 34a_100000210451_200025704644 [0,1,0,0,0,0|1,0,1]=3 7275 B13R0.336 CCCCCCCCCCCCOC 34a_100000210810_200000210301 [0,1,0,0,0,0|0,0,2]=3 7276 B13R0.336 CCCCCCCCCCCCOC 34a_100138415774_100000759014 [0,1,0,0,0,0|0,0,2]=3 7277 B13R0.336 CCCCCCCCCCCCOC 7a_100000210810_200000210301 [0,1,0,0,0,0|0,0,2]=3 7278 B13R0.336 CCCCCCCCCCCCO[13CH3] 34a_100000210810_200025704644 [0,1,0,0,0,0|0,0,2]=3 7279 B13R0.336 CCCCCCCCCCCCO[13CH3] 7a_100000210810_200025704644 [0,1,0,0,0,0|0,0,2]=3 7280 B13R0.336 CCCCCCCCCCCCSC 62a_200000210301_100000759014 [0,1,0,0,0,0|0,1,1]=3 7281 B13R0.336 CCCCCCCCCCCCS[13CH3] 62a_200025704644_100000759014 [0,1,0,0,0,0|0,1,1]=3 7282 B13R0.336 CCCCCCCCCCCNCC 2230a_100015525214_100011215454 [0,1,0,0,0,0|1,0,1]=3 7283 B13R0.336 CCCCCCCCCCCNCC 2230a_200011215754_100000210202 [0,1,0,0,0,0|1,0,1]=3 7284 B13R0.336 CCCCCCCCCCCNCC 34a_200011215754_100000210202 [0,1,0,0,0,0|1,0,1]=3 7285 B13R0.336 CCCCCCCCCCCNCF 34a_200011215754_100015361967 [0,1,0,0,0,0|1,0,1]=3 7286 B13R0.336 CCCCCCCCCCCOCC 34a_100000210809_100000210202 [0,1,0,0,0,0|1,0,1]=3 7287 B13R0.336 CCCCCCCCCCCOCC 34a_100121572206_100011215454 [0,1,0,0,0,0|1,0,1]=3 7288 B13R0.336 CCCCCCCCCCCOCC 7a_100000210809_100000210202 [0,1,0,0,0,0|1,0,1]=3 7289 B13R0.336 CCCCCCCCCCCOCF 34a_100000210809_100015361967 [0,1,0,0,0,0|1,0,1]=3 7290 B13R0.336 CCCCCCCCCCCOCF 7a_100000210809_100015361967 [0,1,0,0,0,0|1,0,1]=3 7291 B13R0.336 CCCCCCCCCCCSCC 62a_100000210202_100011215454 [0,1,0,0,0,0|1,0,1]=3 7292 B13R0.336 CCCCCCCCCCCSCF 62a_100015361967_100011215454 [0,1,0,0,0,0|1,0,1]=3 7293 B13R0.336 CCCCCCCCCCNCC#N 2230a_100000684558_100011215382 [0,1,0,0,0,0|1,0,1]=3 7294 B13R0.336 CCCCCCCCCCNCC=O 2230a_100000684558_200015260668 [0,1,0,0,0,0|0,0,0]=1 7295 B13R0.336 CCCCCCCCCCNCC=O 34a_100000684558_200009817547 [0,1,0,0,0,0|0,0,0]=1 7296 B13R0.336 CCCCCCCCCCNCCC 2230a_100000684558_100000210303 [0,1,0,0,0,0|1,0,1]=3 7297 B13R0.336 CCCCCCCCCCNCCC 34a_100000684558_100000210303 [0,1,0,0,0,0|1,0,1]=3 7298 B13R0.336 CCCCCCCCCCNCCF 2230a_100000684558_100011217306 [0,1,0,0,0,0|1,0,1]=3 7299 B13R0.336 CCCCCCCCCCNCCF 34a_100000684558_100011217306 [0,1,0,0,0,0|1,0,1]=3 7300 B13R0.336 CCCCCCCCCCNCCF 34a_100000724931_100000210320 [0,1,0,0,0,0|1,0,1]=3 7301 B13R0.336 CCCCCCCCCCNCCO 2230a_100000684558_100000211926 [0,1,0,0,0,0|0,0,2]=3 7302 B13R0.336 CCCCCCCCCCNCCO 2230a_100016997473_100000210320 [0,1,0,0,0,0|0,0,2]=3 7303 B13R0.336 CCCCCCCCCCNCCO 34a_100000684558_100000211926 [0,1,0,0,0,0|0,0,2]=3 7304 B13R0.336 CCCCCCCCCCNCCO 34a_100016990907_100000210320 [0,1,0,0,0,0|0,0,2]=3 7305 B13R0.336 CCCCCCCCCCNCOC 2230a_100000684558_100000766300 [0,1,0,0,0,0|2,0,0]=3 7306 B13R0.336 CCCCCCCCCCNCSC 2230a_100000684558_100011218213 [0,1,0,0,0,0|2,0,0]=3 7307 B13R0.336 CCCCCCCCCCNCSC 34a_100000684558_100011218213 [0,1,0,0,0,0|2,0,0]=3 7308 B13R0.336 CCCCCCCCCCOCC#N 7a_100000210711_100011215382 [0,1,0,0,0,0|1,0,1]=3 7309 B13R0.336 CCCCCCCCCCOCC=O 34a_100000210711_200009817547 [0,1,0,0,0,0|0,0,0]=1 7310 B13R0.336 CCCCCCCCCCOCC=O 7a_100000210711_200015260668 [0,1,0,0,0,0|0,0,0]=1 7311 B13R0.336 CCCCCCCCCCOCCBr 34a_100000211926_100000210320 [0,1,0,0,0,0|1,0,1]=3 7312 B13R0.336 CCCCCCCCCCOCCC 34a_100000210258_100000210320 [0,1,0,0,0,0|1,0,1]=3 7313 B13R0.336 CCCCCCCCCCOCCC 34a_100000210711_100000210303 [0,1,0,0,0,0|1,0,1]=3 7314 B13R0.336 CCCCCCCCCCOCCC 7a_100000210711_100000210303 [0,1,0,0,0,0|1,0,1]=3 7315 B13R0.336 CCCCCCCCCCOCCF 34a_100000210711_100011217306 [0,1,0,0,0,0|1,0,1]=3 7316 B13R0.336 CCCCCCCCCCOCCF 7a_100000210711_100011217306 [0,1,0,0,0,0|1,0,1]=3 7317 B13R0.336 CCCCCCCCCCOCCN 34a_100000210304_100000210320 [0,1,0,0,0,0|1,0,1]=3 7318 B13R0.336 CCCCCCCCCCOCCO 34a_100000210711_100000211926 [0,1,0,0,0,0|0,0,2]=3 7319 B13R0.336 CCCCCCCCCCOCCO 7a_100000210711_100000211926 [0,1,0,0,0,0|0,0,2]=3 7320 B13R0.336 CCCCCCCCCCOCSC 34a_100000210711_100011218213 [0,1,0,0,0,0|2,0,0]=3 7321 B13R0.336 CCCCCCCCCCSCC#N 62a_100011215382_100000210320 [0,1,0,0,0,0|1,0,1]=3 7322 B13R0.336 CCCCCCCCCCSCC=O 62a_200015260668_100000210320 [0,1,0,0,0,0|0,0,0]=1 7323 B13R0.336 CCCCCCCCCCSCCC 62a_100000210303_100000210320 [0,1,0,0,0,0|1,0,1]=3 7324 B13R0.336 CCCCCCCCCCSCCF 62a_100011217306_100000210320 [0,1,0,0,0,0|1,0,1]=3 7325 B13R0.336 CCCCCCCCCCSCCO 62a_100000211926_100000210320 [0,1,0,0,0,0|0,0,2]=3 7326 B13R0.336 CCCCCCCCCCSCOC 62a_100000766300_100000210320 [0,1,0,0,0,0|2,0,0]=3 7327 B13R0.336 CCCCCCCCCCSCSC 62a_100011218213_100000210320 [0,1,0,0,0,0|2,0,0]=3 7328 B13R0.336 CCCCCCCCCNCCC#N 2230a_100000212291_100011215226 [0,1,0,0,0,0|1,0,1]=3 7329 B13R0.336 CCCCCCCCCNCCCC 2230a_100000102301_100011214924 [0,1,0,0,0,0|1,0,1]=3 7330 B13R0.336 CCCCCCCCCNCCCC 2230a_100000212291_100000210211 [0,1,0,0,0,0|1,0,1]=3 7331 B13R0.336 CCCCCCCCCNCCCC 34a_100000212291_100000210210 [0,1,0,0,0,0|1,0,1]=3 7332 B13R0.336 CCCCCCCCCNCCCC 7a_106832991798_100000210328 [0,1,0,0,0,0|1,0,1]=3 7333 B13R0.336 CCCCCCCCCNCCCF 2230a_100000212291_100011934791 [0,1,0,0,0,0|1,0,1]=3 7334 B13R0.336 CCCCCCCCCNCCCF 2230a_100015189416_100011214924 [0,1,0,0,0,0|1,0,1]=3 7335 B13R0.336 CCCCCCCCCNCCCF 34a_100000212291_100011934791 [0,1,0,0,0,0|1,0,1]=3 7336 B13R0.336 CCCCCCCCCNCCCF 34a_100015189416_100011214924 [0,1,0,0,0,0|1,0,1]=3 7337 B13R0.336 CCCCCCCCCNCCCO 2230a_100000212291_100000230001 [0,1,0,0,0,0|0,0,2]=3 7338 B13R0.336 CCCCCCCCCNCCCO 34a_100000212291_100000230001 [0,1,0,0,0,0|0,0,2]=3 7339 B13R0.336 CCCCCCCCCNCCOC 2230a_100000209980_100011214924 [0,1,0,0,0,0|2,0,0]=3 7340 B13R0.336 CCCCCCCCCNCCOC 2230a_100000212291_100011201679 [0,1,0,0,0,0|2,0,0]=3 7341 B13R0.336 CCCCCCCCCNCCOC 34a_100000212291_100011201679 [0,1,0,0,0,0|2,0,0]=3 7342 B13R0.336 CCCCCCCCCNCCSC 2230a_100000212291_100000751147 [0,1,0,0,0,0|2,0,0]=3 7343 B13R0.336 CCCCCCCCCNCCSC 2230a_100020590264_100011214924 [0,1,0,0,0,0|2,0,0]=3 7344 B13R0.336 CCCCCCCCCNCCSC 34a_100000212291_100000212216 [0,1,0,0,0,0|2,0,0]=3 7345 B13R0.336 CCCCCCCCCOCCC#N 7a_100000210712_100000184422 [0,1,0,0,0,0|1,0,1]=3 7346 B13R0.336 CCCCCCCCCOCCCBr 34a_100011217188_100011214924 [0,1,0,0,0,0|1,0,1]=3 7347 B13R0.336 CCCCCCCCCOCCCC 34a_100000210227_100011214924 [0,1,0,0,0,0|1,0,1]=3 7348 B13R0.336 CCCCCCCCCOCCCC 34a_100000210712_100000210210 [0,1,0,0,0,0|1,0,1]=3 7349 B13R0.336 CCCCCCCCCOCCCC 7a_100000210227_100000210328 [0,1,0,0,0,0|1,0,1]=3 7350 B13R0.336 CCCCCCCCCOCCCC 7a_100000210712_100000210211 [0,1,0,0,0,0|1,0,1]=3 7351 B13R0.336 CCCCCCCCCOCCCCl 34a_100000230001_100011214924 [0,1,0,0,0,0|1,0,1]=3 7352 B13R0.336 CCCCCCCCCOCCCF 34a_100000210712_100011934791 [0,1,0,0,0,0|1,0,1]=3 7353 B13R0.336 CCCCCCCCCOCCCF 34a_100000759539_100011214924 [0,1,0,0,0,0|1,0,1]=3 7354 B13R0.336 CCCCCCCCCOCCCF 7a_100000210712_100011934791 [0,1,0,0,0,0|1,0,1]=3 7355 B13R0.336 CCCCCCCCCOCCCN 34a_100000182051_100011214924 [0,1,0,0,0,0|1,0,1]=3 7356 B13R0.336 CCCCCCCCCOCCCO 34a_100000210712_100000230001 [0,1,0,0,0,0|0,0,2]=3 7357 B13R0.336 CCCCCCCCCOCCCO 7a_100000210712_100011215043 [0,1,0,0,0,0|0,0,2]=3 7358 B13R0.336 CCCCCCCCCOCCOC 34a_100000210237_100011214924 [0,1,0,0,0,0|2,0,0]=3 7359 B13R0.336 CCCCCCCCCOCCOC 34a_100000210712_100011201679 [0,1,0,0,0,0|2,0,0]=3 7360 B13R0.336 CCCCCCCCCOCCOC 7a_100000210712_100000233755 [0,1,0,0,0,0|2,0,0]=3 7361 B13R0.336 CCCCCCCCCOCCON 34a_100000700252_100011214924 [0,1,0,0,0,0|2,0,0]=3 7362 B13R0.336 CCCCCCCCCOCCSC 34a_100000210712_100000212216 [0,1,0,0,0,0|2,0,0]=3 7363 B13R0.336 CCCCCCCCCOCCSC 34a_100000230434_100011214924 [0,1,0,0,0,0|2,0,0]=3 7364 B13R0.336 CCCCCCCCCOCCSC 7a_100000210712_100000212216 [0,1,0,0,0,0|2,0,0]=3 7365 B13R0.336 CCCCCCCCCOCCSC 7a_100000230434_100000210328 [0,1,0,0,0,0|2,0,0]=3 7366 B13R0.336 CCCCCCCCCSCCC#N 62a_100011215226_100000210670 [0,1,0,0,0,0|1,0,1]=3 7367 B13R0.336 CCCCCCCCCSCCCC 62a_100000210211_100000210670 [0,1,0,0,0,0|1,0,1]=3 7368 B13R0.336 CCCCCCCCCSCCCF 62a_100011934791_100000210670 [0,1,0,0,0,0|1,0,1]=3 7369 B13R0.336 CCCCCCCCCSCCCO 62a_100011215043_100000210670 [0,1,0,0,0,0|0,0,2]=3 7370 B13R0.336 CCCCCCCCCSCCOC 62a_100000233755_100000210670 [0,1,0,0,0,0|2,0,0]=3 7371 B13R0.336 CCCCCCCCCSCCSC 62a_100000212216_100000210670 [0,1,0,0,0,0|2,0,0]=3 7372 B13R0.336 CCCCCCCCCSCOCC 62a_100000739092_100000210670 [0,1,0,0,0,0|2,0,1]=4 7373 B13R0.336 CCCCCCCCCSCSC#N 62a_100000211825_100000210670 [0,1,0,0,0,0|2,0,1]=4 7374 B13R0.336 CCCCCCCCNCCCC#N 2230a_100000229939_100000687738 [0,1,0,0,0,0|1,0,1]=3 7375 B13R0.336 CCCCCCCCNCCCC=O 2230a_100000229939_200011292268 [0,1,0,0,0,0|0,0,0]=1 7376 B13R0.336 CCCCCCCCNCCCCC 2230a_100000209983_100000210759 [0,1,0,0,0,0|1,0,1]=3 7377 B13R0.336 CCCCCCCCNCCCCC 2230a_100000229939_100000210326 [0,1,0,0,0,0|1,0,1]=3 7378 B13R0.336 CCCCCCCCNCCCCC 34a_100000229939_100000718602 [0,1,0,0,0,0|1,0,1]=3 7379 B13R0.336 CCCCCCCCNCCCCF 2230a_100000229939_100000729493 [0,1,0,0,0,0|1,0,1]=3 7380 B13R0.336 CCCCCCCCNCCCCF 34a_100000229939_100000729493 [0,1,0,0,0,0|1,0,1]=3 7381 B13R0.336 CCCCCCCCNCCCCO 2230a_100000229939_100000210776 [0,1,0,0,0,0|0,0,2]=3 7382 B13R0.336 CCCCCCCCNCCCCO 2230a_100000750430_100000210759 [0,1,0,0,0,0|0,0,2]=3 7383 B13R0.336 CCCCCCCCNCCCCO 34a_100000229939_100011216708 [0,1,0,0,0,0|0,0,2]=3 7384 B13R0.336 CCCCCCCCNCCCCO 34a_100000750430_100000210759 [0,1,0,0,0,0|0,0,2]=3 7385 B13R0.336 CCCCCCCCNCCCOC 2230a_100000229939_100000740836 [0,1,0,0,0,0|2,0,0]=3 7386 B13R0.336 CCCCCCCCNCCCOC 34a_100000229939_100000740836 [0,1,0,0,0,0|2,0,0]=3 7387 B13R0.336 CCCCCCCCNCCCOC 34a_100150723488_100000210759 [0,1,0,0,0,0|2,0,0]=3 7388 B13R0.336 CCCCCCCCNCCCSC 2230a_100000749238_100000210759 [0,1,0,0,0,0|2,0,0]=3 7389 B13R0.336 CCCCCCCCNCCOCC 2230a_100000229939_100011215890 [0,1,0,0,0,0|2,0,1]=4 7390 B13R0.336 CCCCCCCCNCCOCC 2230a_102516460346_100000210759 [0,1,0,0,0,0|2,0,1]=4 7391 B13R0.336 CCCCCCCCNCCOCC 34a_100000229939_100000210147 [0,1,0,0,0,0|2,0,1]=4 7392 B13R0.336 CCCCCCCCNCCOCC 34a_102516460346_100000210759 [0,1,0,0,0,0|2,0,1]=4 7393 B13R0.336 CCCCCCCCNCCSCC 2230a_100000106463_100000210759 [0,1,0,0,0,0|2,0,1]=4 7394 B13R0.336 CCCCCCCCNCCSCC 2230a_100000229939_100000757381 [0,1,0,0,0,0|2,0,1]=4 7395 B13R0.336 CCCCCCCCNCCSCC 34a_100000229939_100000757381 [0,1,0,0,0,0|2,0,1]=4 7396 B13R0.336 CCCCCCCCOCCCC#N 7a_100000210232_100000687738 [0,1,0,0,0,0|1,0,1]=3 7397 B13R0.336 CCCCCCCCOCCCC=O 7a_100000210232_200011292268 [0,1,0,0,0,0|0,0,0]=1 7398 B13R0.336 CCCCCCCCOCCCCBr 34a_100011216708_100000210759 [0,1,0,0,0,0|1,0,1]=3 7399 B13R0.336 CCCCCCCCOCCCCC 34a_100000210232_100000718602 [0,1,0,0,0,0|1,0,1]=3 7400 B13R0.336 CCCCCCCCOCCCCC 34a_100000210253_100000210759 [0,1,0,0,0,0|1,0,1]=3 7401 B13R0.336 CCCCCCCCOCCCCC 7a_100000210232_100000210326 [0,1,0,0,0,0|1,0,1]=3 7402 B13R0.336 CCCCCCCCOCCCCC 7a_100000210253_100000210759 [0,1,0,0,0,0|1,0,1]=3 7403 B13R0.336 CCCCCCCCOCCCCCl 34a_100000210776_100000210759 [0,1,0,0,0,0|1,0,1]=3 7404 B13R0.336 CCCCCCCCOCCCCCl 7a_100000210776_100000210759 [0,1,0,0,0,0|1,0,1]=3 7405 B13R0.336 CCCCCCCCOCCCCF 34a_100000210232_100000729493 [0,1,0,0,0,0|1,0,1]=3 7406 B13R0.336 CCCCCCCCOCCCCF 34a_100011995726_100000210759 [0,1,0,0,0,0|1,0,1]=3 7407 B13R0.336 CCCCCCCCOCCCCF 7a_100000210232_100000729493 [0,1,0,0,0,0|1,0,1]=3 7408 B13R0.336 CCCCCCCCOCCCCF 7a_100011995726_100000210759 [0,1,0,0,0,0|1,0,1]=3 7409 B13R0.336 CCCCCCCCOCCCCI 34a_200012148704_100000210759 [0,1,0,0,0,0|1,0,1]=3 7410 B13R0.336 CCCCCCCCOCCCCN 34a_100000750430_100000210759 [0,1,0,0,0,0|1,0,1]=3 7411 B13R0.336 CCCCCCCCOCCCCO 34a_100000210232_100011216708 [0,1,0,0,0,0|0,0,2]=3 7412 B13R0.336 CCCCCCCCOCCCCO 7a_100000210232_100000210776 [0,1,0,0,0,0|0,0,2]=3 7413 B13R0.336 CCCCCCCCOCCCNC 34a_100000213112_100000210759 [0,1,0,0,0,0|2,0,0]=3 7414 B13R0.336 CCCCCCCCOCCCOC 34a_100000210232_100000740836 [0,1,0,0,0,0|2,0,0]=3 7415 B13R0.336 CCCCCCCCOCCCOC 34a_100000740835_100000210759 [0,1,0,0,0,0|2,0,0]=3 7416 B13R0.336 CCCCCCCCOCCCOC 7a_100000210232_100000740836 [0,1,0,0,0,0|2,0,0]=3 7417 B13R0.336 CCCCCCCCOCCCSC 34a_100000690336_100000210759 [0,1,0,0,0,0|2,0,0]=3 7418 B13R0.336 CCCCCCCCOCCCSC 7a_100000690336_100000210759 [0,1,0,0,0,0|2,0,0]=3 7419 B13R0.336 CCCCCCCCOCCOCC 34a_100000210136_100000210759 [0,1,0,0,0,0|2,0,1]=4 7420 B13R0.336 CCCCCCCCOCCOCC 34a_100000210232_100000210147 [0,1,0,0,0,0|2,0,1]=4 7421 B13R0.336 CCCCCCCCOCCOCC 7a_100000210136_100000210759 [0,1,0,0,0,0|2,0,1]=4 7422 B13R0.336 CCCCCCCCOCCOCC 7a_100000210232_100011215890 [0,1,0,0,0,0|2,0,1]=4 7423 B13R0.336 CCCCCCCCOCCSCC 34a_100000210232_100000757381 [0,1,0,0,0,0|2,0,1]=4 7424 B13R0.336 CCCCCCCCOCCSCC 34a_100000212035_100000210759 [0,1,0,0,0,0|2,0,1]=4 7425 B13R0.336 CCCCCCCCOCCSCC 7a_100000210232_100000757381 [0,1,0,0,0,0|2,0,1]=4 7426 B13R0.336 CCCCCCCCOCCSCC 7a_100000212035_100000210759 [0,1,0,0,0,0|2,0,1]=4 7427 B13R0.336 CCCCCCCCSCCCC#N 62a_100000210759_100000687738 [0,1,0,0,0,0|1,0,1]=3 7428 B13R0.336 CCCCCCCCSCCCC#N 62a_100000687738_100000210317 [0,1,0,0,0,0|1,0,1]=3 7429 B13R0.336 CCCCCCCCSCCCC=O 62a_100000210759_200011292268 [0,1,0,0,0,0|0,0,0]=1 7430 B13R0.336 CCCCCCCCSCCCC=O 62a_200011292268_100000210317 [0,1,0,0,0,0|0,0,0]=1 7431 B13R0.336 CCCCCCCCSCCCCC 62a_100000210326_100000210317 [0,1,0,0,0,0|1,0,1]=3 7432 B13R0.336 CCCCCCCCSCCCCC 62a_100000210759_100000210326 [0,1,0,0,0,0|1,0,1]=3 7433 B13R0.336 CCCCCCCCSCCCCF 62a_100000210759_100000729493 [0,1,0,0,0,0|1,0,1]=3 7434 B13R0.336 CCCCCCCCSCCCCF 62a_100000729493_100000210317 [0,1,0,0,0,0|1,0,1]=3 7435 B13R0.336 CCCCCCCCSCCCCO 62a_100000210759_100000210776 [0,1,0,0,0,0|0,0,2]=3 7436 B13R0.336 CCCCCCCCSCCCCO 62a_100000210776_100000210317 [0,1,0,0,0,0|0,0,2]=3 7437 B13R0.336 CCCCCCCCSCCCOC 62a_100000210759_100000709357 [0,1,0,0,0,0|2,0,0]=3 7438 B13R0.336 CCCCCCCCSCCCOC 62a_100000709357_100000210317 [0,1,0,0,0,0|2,0,0]=3 7439 B13R0.336 CCCCCCCCSCCOCC 62a_100000210147_100000210317 [0,1,0,0,0,0|2,0,1]=4 7440 B13R0.336 CCCCCCCCSCCOCC 62a_100000210759_100011215890 [0,1,0,0,0,0|2,0,1]=4 7441 B13R0.336 CCCCCCCCSCCSC#N 62a_100000034367_100000210317 [0,1,0,0,0,0|2,0,1]=4 7442 B13R0.336 CCCCCCCCSCCSC#N 62a_100000210759_100000034367 [0,1,0,0,0,0|2,0,1]=4 7443 B13R0.336 CCCCCCCCSCCSCC 62a_100000210759_100000757381 [0,1,0,0,0,0|2,0,1]=4 7444 B13R0.336 CCCCCCCCSCCSCC 62a_100000757381_100000210317 [0,1,0,0,0,0|2,0,1]=4 7445 B13R0.336 CCCCCCCNCCCCC#N 2230a_100000229938_100000211819 [0,1,0,0,0,0|1,0,1]=3 7446 B13R0.336 CCCCCCCNCCCCC=O 2230a_100000229938_100000139335 [0,1,0,0,0,0|0,0,0]=1 7447 B13R0.336 CCCCCCCNCCCCCC 2230a_100000210581_100000210681 [0,1,0,0,0,0|1,0,1]=3 7448 B13R0.336 CCCCCCCNCCCCCC 2230a_100000229938_100000210314 [0,1,0,0,0,0|1,0,1]=3 7449 B13R0.336 CCCCCCCNCCCCCF 2230a_100000229938_100000729378 [0,1,0,0,0,0|1,0,1]=3 7450 B13R0.336 CCCCCCCNCCCCCO 2230a_100000229938_100000746330 [0,1,0,0,0,0|0,0,2]=3 7451 B13R0.336 CCCCCCCNCCCCCO 2230a_100000762737_100000210681 [0,1,0,0,0,0|0,0,2]=3 7452 B13R0.336 CCCCCCCNCCCCCO 34a_100000762737_100000210614 [0,1,0,0,0,0|0,0,2]=3 7453 B13R0.336 CCCCCCCNCCCCOC 2230a_100000229938_100000730899 [0,1,0,0,0,0|2,0,0]=3 7454 B13R0.336 CCCCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210681 [0,1,0,0,0,0|3,0,0]=4 7455 B13R0.336 CCCCCCCNCCCOCC 2230a_100000210961_100000210681 [0,1,0,0,0,0|2,0,1]=4 7456 B13R0.336 CCCCCCCNCCCOCC 2230a_100000229938_100012232248 [0,1,0,0,0,0|2,0,1]=4 7457 B13R0.336 CCCCCCCNCCCOCC 34a_100000210961_100000210614 [0,1,0,0,0,0|2,0,1]=4 7458 B13R0.336 CCCCCCCNCCOCC#N 2230a_100000229938_200000047693 [0,1,0,0,0,0|2,0,1]=4 7459 B13R0.336 CCCCCCCNCCOCCC 2230a_100000229938_100011215938 [0,1,0,0,0,0|2,0,1]=4 7460 B13R0.336 CCCCCCCNCCOCCC 2230a_100161115042_100000210681 [0,1,0,0,0,0|2,0,1]=4 7461 B13R0.336 CCCCCCCNCCOCCC 34a_100161115042_100000210614 [0,1,0,0,0,0|2,0,1]=4 7462 B13R0.336 CCCCCCCNCCOCCO 2230a_100000211614_100000210681 [0,1,0,0,0,0|1,0,2]=4 7463 B13R0.336 CCCCCCCNCCOCCO 2230a_100000229938_100011215305 [0,1,0,0,0,0|1,0,2]=4 7464 B13R0.336 CCCCCCCNCCOCCO 34a_100000211614_100000210614 [0,1,0,0,0,0|1,0,2]=4 7465 B13R0.336 CCCCCCCNCCSCCC 2230a_100020603323_100000210681 [0,1,0,0,0,0|2,0,1]=4 7466 B13R0.336 CCCCCCCNCCSCCO 2230a_100011219999_100000210681 [0,1,0,0,0,0|1,0,2]=4 7467 B13R0.336 CCCCCCCNCOCCCC 2230a_100000229938_100011995733 [0,1,0,0,0,0|2,0,1]=4 7468 B13R0.336 CCCCCCCNCOCCOC 2230a_100000229938_100000231047 [0,1,0,0,0,0|3,0,0]=4 7469 B13R0.336 CCCCCCCOCCCCC#N 7a_100000210272_100000211819 [0,1,0,0,0,0|1,0,1]=3 7470 B13R0.336 CCCCCCCOCCCCC=O 7a_100000210272_100000139335 [0,1,0,0,0,0|0,0,0]=1 7471 B13R0.336 CCCCCCCOCCCCCBr 34a_100000746331_100000210614 [0,1,0,0,0,0|1,0,1]=3 7472 B13R0.336 CCCCCCCOCCCCCBr 7a_100000746331_100000210614 [0,1,0,0,0,0|1,0,1]=3 7473 B13R0.336 CCCCCCCOCCCCCC 34a_100000210259_100000210614 [0,1,0,0,0,0|1,0,1]=3 7474 B13R0.336 CCCCCCCOCCCCCC 34a_100000210272_100000210314 [0,1,0,0,0,0|1,0,1]=3 7475 B13R0.336 CCCCCCCOCCCCCC 7a_100000210259_100000210614 [0,1,0,0,0,0|1,0,1]=3 7476 B13R0.336 CCCCCCCOCCCCCC 7a_100000210272_100000210314 [0,1,0,0,0,0|1,0,1]=3 7477 B13R0.336 CCCCCCCOCCCCCCl 34a_100000746330_100000210614 [0,1,0,0,0,0|1,0,1]=3 7478 B13R0.336 CCCCCCCOCCCCCCl 7a_100000746330_100000210614 [0,1,0,0,0,0|1,0,1]=3 7479 B13R0.336 CCCCCCCOCCCCCF 34a_100000210272_100000729378 [0,1,0,0,0,0|1,0,1]=3 7480 B13R0.336 CCCCCCCOCCCCCF 7a_100000210272_100000729378 [0,1,0,0,0,0|1,0,1]=3 7481 B13R0.336 CCCCCCCOCCCCCI 34a_200012148887_100000210614 [0,1,0,0,0,0|1,0,1]=3 7482 B13R0.336 CCCCCCCOCCCCCI 7a_200012148887_100000210614 [0,1,0,0,0,0|1,0,1]=3 7483 B13R0.336 CCCCCCCOCCCCCN 34a_100000762737_100000210614 [0,1,0,0,0,0|1,0,1]=3 7484 B13R0.336 CCCCCCCOCCCCCO 34a_100000210272_100000746330 [0,1,0,0,0,0|0,0,2]=3 7485 B13R0.336 CCCCCCCOCCCCCO 7a_100000210272_100000746330 [0,1,0,0,0,0|0,0,2]=3 7486 B13R0.336 CCCCCCCOCCCCOC 34a_100000210272_100000755781 [0,1,0,0,0,0|2,0,0]=3 7487 B13R0.336 CCCCCCCOCCCCOC 34a_100000740925_100000210614 [0,1,0,0,0,0|2,0,0]=3 7488 B13R0.336 CCCCCCCOCCCCOC 7a_100000210272_100000730899 [0,1,0,0,0,0|2,0,0]=3 7489 B13R0.336 CCCCCCCOCCCCSC 34a_100011217163_100000210614 [0,1,0,0,0,0|2,0,0]=3 7490 B13R0.336 CCCCCCCOCCCCSC 7a_100011217163_100000210614 [0,1,0,0,0,0|2,0,0]=3 7491 B13R0.336 CCCCCCCOCCCOCC 34a_100000210272_100012232248 [0,1,0,0,0,0|2,0,1]=4 7492 B13R0.336 CCCCCCCOCCCOCC 34a_100000757476_100000210614 [0,1,0,0,0,0|2,0,1]=4 7493 B13R0.336 CCCCCCCOCCCOCC 7a_100000210272_100012232248 [0,1,0,0,0,0|2,0,1]=4 7494 B13R0.336 CCCCCCCOCCCOCC 7a_100000757476_100000210614 [0,1,0,0,0,0|2,0,1]=4 7495 B13R0.336 CCCCCCCOCCCSCC 34a_100011216438_100000210614 [0,1,0,0,0,0|2,0,1]=4 7496 B13R0.336 CCCCCCCOCCCSCC 7a_100011216438_100000210614 [0,1,0,0,0,0|2,0,1]=4 7497 B13R0.336 CCCCCCCOCCOCC#N 7a_100000210272_200000047693 [0,1,0,0,0,0|2,0,1]=4 7498 B13R0.336 CCCCCCCOCCOCCBr 34a_100000692535_100000210614 [0,1,0,0,0,0|2,0,1]=4 7499 B13R0.336 CCCCCCCOCCOCCBr 7a_100000692535_100000210614 [0,1,0,0,0,0|2,0,1]=4 7500 B13R0.336 CCCCCCCOCCOCCC 34a_100000210272_100011215938 [0,1,0,0,0,0|2,0,1]=4 7501 B13R0.336 CCCCCCCOCCOCCC 34a_100000752267_100000210614 [0,1,0,0,0,0|2,0,1]=4 7502 B13R0.336 CCCCCCCOCCOCCC 7a_100000210272_100011215938 [0,1,0,0,0,0|2,0,1]=4 7503 B13R0.336 CCCCCCCOCCOCCC 7a_100000752267_100000210614 [0,1,0,0,0,0|2,0,1]=4 7504 B13R0.336 CCCCCCCOCCOCCCl 34a_100011215305_100000210614 [0,1,0,0,0,0|2,0,1]=4 7505 B13R0.336 CCCCCCCOCCOCCCl 7a_100011215305_100000210614 [0,1,0,0,0,0|2,0,1]=4 7506 B13R0.336 CCCCCCCOCCOCCF 34a_200015357709_100000210614 [0,1,0,0,0,0|2,0,1]=4 7507 B13R0.336 CCCCCCCOCCOCCF 7a_200015357709_100000210614 [0,1,0,0,0,0|2,0,1]=4 7508 B13R0.336 CCCCCCCOCCOCCI 34a_100012149058_100000210614 [0,1,0,0,0,0|2,0,1]=4 7509 B13R0.336 CCCCCCCOCCOCCI 7a_100012149058_100000210614 [0,1,0,0,0,0|2,0,1]=4 7510 B13R0.336 CCCCCCCOCCOCCN 34a_100000211614_100000210614 [0,1,0,0,0,0|2,0,1]=4 7511 B13R0.336 CCCCCCCOCCOCCO 34a_100000210272_100000692535 [0,1,0,0,0,0|1,0,2]=4 7512 B13R0.336 CCCCCCCOCCOCCO 7a_100000210272_100011215305 [0,1,0,0,0,0|1,0,2]=4 7513 B13R0.336 CCCCCCCOCCSCCC 34a_200000230433_100000210614 [0,1,0,0,0,0|2,0,1]=4 7514 B13R0.336 CCCCCCCOCCSCCC 7a_200000230433_100000210614 [0,1,0,0,0,0|2,0,1]=4 7515 B13R0.336 CCCCCCCOCOCCCC 34a_100000210272_100011995733 [0,1,0,0,0,0|2,0,1]=4 7516 B13R0.336 CCCCCCCSCCCCC#N 62a_100000210614_100000211819 [0,1,0,0,0,0|1,0,1]=3 7517 B13R0.336 CCCCCCCSCCCCC#N 62a_100011219923_100000210316 [0,1,0,0,0,0|1,0,1]=3 7518 B13R0.336 CCCCCCCSCCCCC=O 62a_100000139335_100000210316 [0,1,0,0,0,0|0,0,0]=1 7519 B13R0.336 CCCCCCCSCCCCC=O 62a_100000210614_100000139335 [0,1,0,0,0,0|0,0,0]=1 7520 B13R0.336 CCCCCCCSCCCCCC 62a_100000210314_100000210316 [0,1,0,0,0,0|1,0,1]=3 7521 B13R0.336 CCCCCCCSCCCCCC 62a_100000210614_100000210757 [0,1,0,0,0,0|1,0,1]=3 7522 B13R0.336 CCCCCCCSCCCCCF 62a_100000210614_100000729378 [0,1,0,0,0,0|1,0,1]=3 7523 B13R0.336 CCCCCCCSCCCCCF 62a_100000729378_100000210316 [0,1,0,0,0,0|1,0,1]=3 7524 B13R0.336 CCCCCCCSCCCCCO 62a_100000210614_100000746330 [0,1,0,0,0,0|0,0,2]=3 7525 B13R0.336 CCCCCCCSCCCCCO 62a_100000746330_100000210316 [0,1,0,0,0,0|0,0,2]=3 7526 B13R0.336 CCCCCCCSCCCCOC 62a_100000210614_100000730899 [0,1,0,0,0,0|2,0,0]=3 7527 B13R0.336 CCCCCCCSCCCCOC 62a_100000730899_100000210316 [0,1,0,0,0,0|2,0,0]=3 7528 B13R0.336 CCCCCCCSCCCOCC 62a_100000210614_100012232248 [0,1,0,0,0,0|2,0,1]=4 7529 B13R0.336 CCCCCCCSCCCOCC 62a_100012232248_100000210316 [0,1,0,0,0,0|2,0,1]=4 7530 B13R0.336 CCCCCCCSCCOCC#N 62a_100000210614_200000047693 [0,1,0,0,0,0|2,0,1]=4 7531 B13R0.336 CCCCCCCSCCOCC#N 62a_200000047693_100000210316 [0,1,0,0,0,0|2,0,1]=4 7532 B13R0.336 CCCCCCCSCCOCCC 62a_100000210614_100011215938 [0,1,0,0,0,0|2,0,1]=4 7533 B13R0.336 CCCCCCCSCCOCCC 62a_100011215938_100000210316 [0,1,0,0,0,0|2,0,1]=4 7534 B13R0.336 CCCCCCCSCCOCCO 62a_100000210614_100011215305 [0,1,0,0,0,0|1,0,2]=4 7535 B13R0.336 CCCCCCCSCCOCCO 62a_100011215305_100000210316 [0,1,0,0,0,0|1,0,2]=4 7536 B13R0.336 CCCCCCCSCOCCCC 62a_100000210614_100011995733 [0,1,0,0,0,0|2,0,1]=4 7537 B13R0.336 CCCCCCCSCOCCCC 62a_100011995733_100000210316 [0,1,0,0,0,0|2,0,1]=4 7538 B13R0.336 CCCCCCCSCOCCOC 62a_100000210614_100000231047 [0,1,0,0,0,0|3,0,0]=4 7539 B13R0.336 CCCCCCCSCOCCOC 62a_100000231047_100000210316 [0,1,0,0,0,0|3,0,0]=4 7540 B13R0.336 CCCCCCNCCCCCC#N 2230a_100000210581_100009813376 [0,1,0,0,0,0|1,0,1]=3 7541 B13R0.336 CCCCCCNCCCCCC=O 2230a_100000210581_100000139337 [0,1,0,0,0,0|0,0,0]=1 7542 B13R0.336 CCCCCCNCCCCCCF 2230a_100000210581_100015922095 [0,1,0,0,0,0|1,0,1]=3 7543 B13R0.336 CCCCCCNCCCCCCO 2230a_100000210581_100000766143 [0,1,0,0,0,0|0,0,2]=3 7544 B13R0.336 CCCCCCNCCCCCCO 2230a_100000686447_100000210314 [0,1,0,0,0,0|0,0,2]=3 7545 B13R0.336 CCCCCCNCCCCCCO 34a_100000686447_100000210314 [0,1,0,0,0,0|0,0,2]=3 7546 B13R0.336 CCCCCCNCCCCCOC 2230a_100000747528_100000210314 [0,1,0,0,0,0|2,0,0]=3 7547 B13R0.336 CCCCCCNCCCCCOC 34a_100000747528_100000210314 [0,1,0,0,0,0|2,0,0]=3 7548 B13R0.336 CCCCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210314 [0,1,0,0,0,0|3,0,0]=4 7549 B13R0.336 CCCCCCNCCCOCCC 2230a_100011217757_100000210314 [0,1,0,0,0,0|2,0,1]=4 7550 B13R0.336 CCCCCCNCCCOCCC 34a_100011217757_100000210314 [0,1,0,0,0,0|2,0,1]=4 7551 B13R0.336 CCCCCCNCCOCCCC 2230a_100000210581_100000743108 [0,1,0,0,0,0|2,0,1]=4 7552 B13R0.336 CCCCCCNCCOCCOC 2230a_100000210581_100000695917 [0,1,0,0,0,0|3,0,0]=4 7553 B13R0.336 CCCCCCNCCOCCOC 2230a_100000745349_100000210314 [0,1,0,0,0,0|3,0,0]=4 7554 B13R0.336 CCCCCCNCCOCCOC 34a_100000745349_100000210314 [0,1,0,0,0,0|3,0,0]=4 7555 B13R0.336 CCCCCCNCCSCCCC 2230a_100025743550_100000210314 [0,1,0,0,0,0|2,0,1]=4 7556 B13R0.336 CCCCCCOCCCCCC#N 7a_100000210259_100009813376 [0,1,0,0,0,0|1,0,1]=3 7557 B13R0.336 CCCCCCOCCCCCC=O 7a_100000210259_100000139337 [0,1,0,0,0,0|0,0,0]=1 7558 B13R0.336 CCCCCCOCCCCCCBr 34a_100011215345_100000210314 [0,1,0,0,0,0|1,0,1]=3 7559 B13R0.336 CCCCCCOCCCCCCBr 7a_100011215345_100000210314 [0,1,0,0,0,0|1,0,1]=3 7560 B13R0.336 CCCCCCOCCCCCCCl 34a_100000766143_100000210314 [0,1,0,0,0,0|1,0,1]=3 7561 B13R0.336 CCCCCCOCCCCCCCl 7a_100000766143_100000210314 [0,1,0,0,0,0|1,0,1]=3 7562 B13R0.336 CCCCCCOCCCCCCF 34a_100000210259_100015922095 [0,1,0,0,0,0|1,0,1]=3 7563 B13R0.336 CCCCCCOCCCCCCF 34a_100000732779_100000210314 [0,1,0,0,0,0|1,0,1]=3 7564 B13R0.336 CCCCCCOCCCCCCF 7a_100000210259_100015922095 [0,1,0,0,0,0|1,0,1]=3 7565 B13R0.336 CCCCCCOCCCCCCF 7a_100000732779_100000210314 [0,1,0,0,0,0|1,0,1]=3 7566 B13R0.336 CCCCCCOCCCCCCN 34a_100000686447_100000210314 [0,1,0,0,0,0|1,0,1]=3 7567 B13R0.336 CCCCCCOCCCCCCO 34a_100000210259_100000766143 [0,1,0,0,0,0|0,0,2]=3 7568 B13R0.336 CCCCCCOCCCCCCO 7a_100000210259_100000766143 [0,1,0,0,0,0|0,0,2]=3 7569 B13R0.336 CCCCCCOCCCCCNC 34a_100000722520_100000210314 [0,1,0,0,0,0|2,0,0]=3 7570 B13R0.336 CCCCCCOCCOCCC#N 7a_100000691444_100000184422 [0,1,0,0,0,0|2,0,1]=4 7571 B13R0.336 CCCCCCOCCOCCCC 34a_100000210238_100000210314 [0,1,0,0,0,0|2,0,1]=4 7572 B13R0.336 CCCCCCOCCOCCCC 34a_100000210259_100000743108 [0,1,0,0,0,0|2,0,1]=4 7573 B13R0.336 CCCCCCOCCOCCCC 34a_100000691444_100000210210 [0,1,0,0,0,0|2,0,1]=4 7574 B13R0.336 CCCCCCOCCOCCCC 7a_100000210238_100000210314 [0,1,0,0,0,0|2,0,1]=4 7575 B13R0.336 CCCCCCOCCOCCCC 7a_100000210259_100000743108 [0,1,0,0,0,0|2,0,1]=4 7576 B13R0.336 CCCCCCOCCOCCCC 7a_100000691444_100000210211 [0,1,0,0,0,0|2,0,1]=4 7577 B13R0.336 CCCCCCOCCOCCCF 34a_100000691444_100011934791 [0,1,0,0,0,0|2,0,1]=4 7578 B13R0.336 CCCCCCOCCOCCCF 7a_100000691444_100011934791 [0,1,0,0,0,0|2,0,1]=4 7579 B13R0.336 CCCCCCOCCOCCCO 34a_100000691444_100000230001 [0,1,0,0,0,0|1,0,2]=4 7580 B13R0.336 CCCCCCOCCOCCCO 7a_100000691444_100011215043 [0,1,0,0,0,0|1,0,2]=4 7581 B13R0.336 CCCCCCOCCOCCNC 34a_100000228057_100000210314 [0,1,0,0,0,0|3,0,0]=4 7582 B13R0.336 CCCCCCOCCOCCOC 34a_100000032842_200000210301 [0,1,0,0,0,0|3,0,0]=4 7583 B13R0.336 CCCCCCOCCOCCOC 34a_100000210259_100000695917 [0,1,0,0,0,0|3,0,0]=4 7584 B13R0.336 CCCCCCOCCOCCOC 34a_100000691444_100011201679 [0,1,0,0,0,0|3,0,0]=4 7585 B13R0.336 CCCCCCOCCOCCOC 34a_100011215163_100000210314 [0,1,0,0,0,0|3,0,0]=4 7586 B13R0.336 CCCCCCOCCOCCOC 7a_100000032842_200000210301 [0,1,0,0,0,0|3,0,0]=4 7587 B13R0.336 CCCCCCOCCOCCOC 7a_100000210259_100000695917 [0,1,0,0,0,0|3,0,0]=4 7588 B13R0.336 CCCCCCOCCOCCOC 7a_100000691444_100000233755 [0,1,0,0,0,0|3,0,0]=4 7589 B13R0.336 CCCCCCOCCOCCOC 7a_100011215163_100000210314 [0,1,0,0,0,0|3,0,0]=4 7590 B13R0.336 CCCCCCOCCOCCO[13CH3] 34a_100000032842_200025704644 [0,1,0,0,0,0|3,0,0]=4 7591 B13R0.336 CCCCCCOCCOCCO[13CH3] 7a_100000032842_200025704644 [0,1,0,0,0,0|3,0,0]=4 7592 B13R0.336 CCCCCCOCCOCCSC 34a_100000691444_100000212216 [0,1,0,0,0,0|3,0,0]=4 7593 B13R0.336 CCCCCCOCCOCCSC 7a_100000691444_100000212216 [0,1,0,0,0,0|3,0,0]=4 7594 B13R0.336 CCCCCCOCCSCCCC 34a_200000230436_100000210314 [0,1,0,0,0,0|2,0,1]=4 7595 B13R0.336 CCCCCCOCCSCCCC 7a_200000230436_100000210314 [0,1,0,0,0,0|2,0,1]=4 7596 B13R0.336 CCCCCCSCCCCCC#N 62a_100000210314_100009813376 [0,1,0,0,0,0|1,0,1]=3 7597 B13R0.336 CCCCCCSCCCCCC#N 62a_100009813376_100000210757 [0,1,0,0,0,0|1,0,1]=3 7598 B13R0.336 CCCCCCSCCCCCC=O 62a_100000139337_100000210757 [0,1,0,0,0,0|0,0,0]=1 7599 B13R0.336 CCCCCCSCCCCCC=O 62a_100000210314_100000139337 [0,1,0,0,0,0|0,0,0]=1 7600 B13R0.336 CCCCCCSCCCCCCF 62a_100000210314_100015922095 [0,1,0,0,0,0|1,0,1]=3 7601 B13R0.336 CCCCCCSCCCCCCF 62a_100015922095_100000210757 [0,1,0,0,0,0|1,0,1]=3 7602 B13R0.336 CCCCCCSCCCCCCO 62a_100000210314_100000766143 [0,1,0,0,0,0|0,0,2]=3 7603 B13R0.336 CCCCCCSCCCCCCO 62a_100000766143_100000210757 [0,1,0,0,0,0|0,0,2]=3 7604 B13R0.336 CCCCCCSCCOCCCC 62a_100000210314_100000743108 [0,1,0,0,0,0|2,0,1]=4 7605 B13R0.336 CCCCCCSCCOCCCC 62a_100000743108_100000210757 [0,1,0,0,0,0|2,0,1]=4 7606 B13R0.336 CCCCCCSCCOCCOC 62a_100000210314_100000695917 [0,1,0,0,0,0|3,0,0]=4 7607 B13R0.336 CCCCCCSCCOCCOC 62a_100000695917_100000210757 [0,1,0,0,0,0|3,0,0]=4 7608 B13R0.336 CCCCCNCCCCCCC#N 2230a_100000209983_100009813337 [0,1,0,0,0,0|1,0,1]=3 7609 B13R0.336 CCCCCNCCCCCCCO 2230a_100000209983_100000760002 [0,1,0,0,0,0|0,0,2]=3 7610 B13R0.336 CCCCCNCCCCCCCO 2230a_100011996573_100000210326 [0,1,0,0,0,0|0,0,2]=3 7611 B13R0.336 CCCCCNCCCCCCCO 34a_100011996573_100000718602 [0,1,0,0,0,0|0,0,2]=3 7612 B13R0.336 CCCCCNCCCCCCOC 2230a_100000209983_100011998445 [0,1,0,0,0,0|2,0,0]=3 7613 B13R0.336 CCCCCNCCCOCCCC 2230a_200000211371_100000210326 [0,1,0,0,0,0|2,0,1]=4 7614 B13R0.336 CCCCCNCCCOCCCC 34a_200000211371_100000718602 [0,1,0,0,0,0|2,0,1]=4 7615 B13R0.336 CCCCCNCCCOCCCO 2230a_100011310245_100000210326 [0,1,0,0,0,0|1,0,2]=4 7616 B13R0.336 CCCCCNCCCOCCCO 34a_100011310245_100000718602 [0,1,0,0,0,0|1,0,2]=4 7617 B13R0.336 CCCCCNCCCOCCOC 2230a_100000206027_100000210326 [0,1,0,0,0,0|3,0,0]=4 7618 B13R0.336 CCCCCNCCCOCCOC 2230a_100000209983_100011216529 [0,1,0,0,0,0|3,0,0]=4 7619 B13R0.336 CCCCCNCCCOCCOC 34a_100000206027_100000718602 [0,1,0,0,0,0|3,0,0]=4 7620 B13R0.336 CCCCCNCCOCCCCC 34a_100000224656_100000718602 [0,1,0,0,0,0|2,0,1]=4 7621 B13R0.336 CCCCCNCCOCCCCF 34a_100000224656_100000729493 [0,1,0,0,0,0|2,0,1]=4 7622 B13R0.336 CCCCCNCCOCCCCO 34a_100000224656_100011216708 [0,1,0,0,0,0|1,0,2]=4 7623 B13R0.336 CCCCCNCCOCCCOC 34a_100000224656_100000740836 [0,1,0,0,0,0|3,0,0]=4 7624 B13R0.336 CCCCCOCCCCCCC#N 7a_100000210253_100009813337 [0,1,0,0,0,0|1,0,1]=3 7625 B13R0.336 CCCCCOCCCCCCCBr 34a_100000760002_100000718602 [0,1,0,0,0,0|1,0,1]=3 7626 B13R0.336 CCCCCOCCCCCCCBr 7a_100000760002_100000210326 [0,1,0,0,0,0|1,0,1]=3 7627 B13R0.336 CCCCCOCCCCCCCN 34a_100011996573_100000718602 [0,1,0,0,0,0|1,0,1]=3 7628 B13R0.336 CCCCCOCCCCCCCO 34a_100000210253_100000760002 [0,1,0,0,0,0|0,0,2]=3 7629 B13R0.336 CCCCCOCCCCCCCO 7a_100000210253_100000760002 [0,1,0,0,0,0|0,0,2]=3 7630 B13R0.336 CCCCCOCCCCCCOC 34a_100000210253_100011998445 [0,1,0,0,0,0|2,0,0]=3 7631 B13R0.336 CCCCCOCCCCCCOC 34a_200012092642_100000718602 [0,1,0,0,0,0|2,0,0]=3 7632 B13R0.336 CCCCCOCCCCCCOC 7a_100000210253_100011998445 [0,1,0,0,0,0|2,0,0]=3 7633 B13R0.336 CCCCCOCCCCCCOC 7a_200012092642_100000210326 [0,1,0,0,0,0|2,0,0]=3 7634 B13R0.336 CCCCCOCCCOCCCC 34a_200011215613_100000718602 [0,1,0,0,0,0|2,0,1]=4 7635 B13R0.336 CCCCCOCCCOCCCC 7a_200011215613_100000210326 [0,1,0,0,0,0|2,0,1]=4 7636 B13R0.336 CCCCCOCCCOCCCN 34a_100011310245_100000718602 [0,1,0,0,0,0|2,0,1]=4 7637 B13R0.336 CCCCCOCCCOCCOC 34a_100000210253_100011216529 [0,1,0,0,0,0|3,0,0]=4 7638 B13R0.336 CCCCCOCCCOCCOC 7a_100000210253_100011216529 [0,1,0,0,0,0|3,0,0]=4 7639 B13R0.336 CCCCCOCCOCCCC#N 7a_100011215259_100000687738 [0,1,0,0,0,0|2,0,1]=4 7640 B13R0.336 CCCCCOCCOCCCC=O 7a_100011215259_200011292268 [0,1,0,0,0,0|1,0,0]=2 7641 B13R0.336 CCCCCOCCOCCCCC 34a_100011215259_100000718602 [0,1,0,0,0,0|2,0,1]=4 7642 B13R0.336 CCCCCOCCOCCCCC 7a_100011215259_100000210326 [0,1,0,0,0,0|2,0,1]=4 7643 B13R0.336 CCCCCOCCOCCCCF 34a_100011215259_100000729493 [0,1,0,0,0,0|2,0,1]=4 7644 B13R0.336 CCCCCOCCOCCCCF 7a_100011215259_100000729493 [0,1,0,0,0,0|2,0,1]=4 7645 B13R0.336 CCCCCOCCOCCCCO 34a_100011215259_100011216708 [0,1,0,0,0,0|1,0,2]=4 7646 B13R0.336 CCCCCOCCOCCCCO 7a_100011215259_100000210776 [0,1,0,0,0,0|1,0,2]=4 7647 B13R0.336 CCCCCOCCOCCCOC 34a_100011215259_100000740836 [0,1,0,0,0,0|3,0,0]=4 7648 B13R0.336 CCCCCOCCOCCCOC 7a_100011215259_100000740836 [0,1,0,0,0,0|3,0,0]=4 7649 B13R0.336 CCCCCSCCCCCCC#N 62a_100000210326_100009813337 [0,1,0,0,0,0|1,0,1]=3 7650 B13R0.336 CCCCCSCCCCCCC#N 62a_100009813337_100000210326 [0,1,0,0,0,0|1,0,1]=3 7651 B13R0.336 CCCCCSCCCCCCCO 62a_100000210326_100000760002 [0,1,0,0,0,0|0,0,2]=3 7652 B13R0.336 CCCCCSCCCCCCCO 62a_100000760002_100000210326 [0,1,0,0,0,0|0,0,2]=3 7653 B13R0.336 CCCCCSCCCCCCOC 62a_100000210326_100011998445 [0,1,0,0,0,0|2,0,0]=3 7654 B13R0.336 CCCCCSCCCCCCOC 62a_100011998445_100000210326 [0,1,0,0,0,0|2,0,0]=3 7655 B13R0.336 CCCCCSCCCOCCOC 62a_100000210326_100011216529 [0,1,0,0,0,0|3,0,0]=4 7656 B13R0.336 CCCCCSCCCOCCOC 62a_100011216529_100000210326 [0,1,0,0,0,0|3,0,0]=4 7657 B13R0.336 CCCCNCCCCCCCCO 2230a_100000102301_100000033203 [0,1,0,0,0,0|0,0,2]=3 7658 B13R0.336 CCCCNCCCCCCCCO 2230a_102515433106_100000210211 [0,1,0,0,0,0|0,0,2]=3 7659 B13R0.336 CCCCNCCCCCCCCO 34a_102515433106_100000210210 [0,1,0,0,0,0|0,0,2]=3 7660 B13R0.336 CCCCNCCCCCCCCO 7a_106832991798_100000033203 [0,1,0,0,0,0|0,0,2]=3 7661 B13R0.336 CCCCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210211 [0,1,0,0,0,0|3,0,0]=4 7662 B13R0.336 CCCCNCCCCOCCCC 34a_200011216965_100000210210 [0,1,0,0,0,0|2,0,1]=4 7663 B13R0.336 CCCCNCCCCOCCCF 34a_200011216965_100011934791 [0,1,0,0,0,0|2,0,1]=4 7664 B13R0.336 CCCCNCCCCOCCCO 34a_200011216965_100000230001 [0,1,0,0,0,0|1,0,2]=4 7665 B13R0.336 CCCCNCCCCOCCOC 34a_200011216965_100011201679 [0,1,0,0,0,0|3,0,0]=4 7666 B13R0.336 CCCCNCCCCOCCSC 34a_200011216965_100000212216 [0,1,0,0,0,0|3,0,0]=4 7667 B13R0.336 CCCCOCCCCCCCCBr 34a_100009813846_100000210210 [0,1,0,0,0,0|1,0,1]=3 7668 B13R0.336 CCCCOCCCCCCCCBr 7a_100009813846_100000210211 [0,1,0,0,0,0|1,0,1]=3 7669 B13R0.336 CCCCOCCCCCCCCCl 34a_100000033203_100000210210 [0,1,0,0,0,0|1,0,1]=3 7670 B13R0.336 CCCCOCCCCCCCCCl 7a_100000033203_100000210211 [0,1,0,0,0,0|1,0,1]=3 7671 B13R0.336 CCCCOCCCCCCCCN 34a_102515433106_100000210210 [0,1,0,0,0,0|1,0,1]=3 7672 B13R0.336 CCCCOCCCCCCCCO 34a_100000210227_100000033203 [0,1,0,0,0,0|0,0,2]=3 7673 B13R0.336 CCCCOCCCCCCCCO 7a_100000210227_100000033203 [0,1,0,0,0,0|0,0,2]=3 7674 B13R0.336 CCCCOCCCCCNCCN 34a_103619048469_100000210210 [0,1,0,0,0,0|2,0,1]=4 7675 B13R0.336 CCCCOCCCCOCCC#N 7a_200000760531_100000184422 [0,1,0,0,0,0|2,0,1]=4 7676 B13R0.336 CCCCOCCCCOCCCC 34a_200000760531_100000210210 [0,1,0,0,0,0|2,0,1]=4 7677 B13R0.336 CCCCOCCCCOCCCC 7a_200000760531_100000210211 [0,1,0,0,0,0|2,0,1]=4 7678 B13R0.336 CCCCOCCCCOCCCF 34a_200000760531_100011934791 [0,1,0,0,0,0|2,0,1]=4 7679 B13R0.336 CCCCOCCCCOCCCF 7a_200000760531_100011934791 [0,1,0,0,0,0|2,0,1]=4 7680 B13R0.336 CCCCOCCCCOCCCO 34a_200000760531_100000230001 [0,1,0,0,0,0|1,0,2]=4 7681 B13R0.336 CCCCOCCCCOCCCO 7a_200000760531_100011215043 [0,1,0,0,0,0|1,0,2]=4 7682 B13R0.336 CCCCOCCCCOCCOC 34a_200000760531_100011201679 [0,1,0,0,0,0|3,0,0]=4 7683 B13R0.336 CCCCOCCCCOCCOC 7a_200000760531_100000233755 [0,1,0,0,0,0|3,0,0]=4 7684 B13R0.336 CCCCOCCCCOCCSC 34a_200000760531_100000212216 [0,1,0,0,0,0|3,0,0]=4 7685 B13R0.336 CCCCOCCCCOCCSC 7a_200000760531_100000212216 [0,1,0,0,0,0|3,0,0]=4 7686 B13R0.336 CCCCOCCCNCCCC#N 2230a_200000211371_100000687738 [0,1,0,0,0,0|2,0,1]=4 7687 B13R0.336 CCCCOCCCNCCCC=O 2230a_200000211371_200011292268 [0,1,0,0,0,0|1,0,0]=2 7688 B13R0.336 CCCCOCCCNCCCCF 2230a_200000211371_100000729493 [0,1,0,0,0,0|2,0,1]=4 7689 B13R0.336 CCCCOCCCNCCCCF 34a_200000211371_100000729493 [0,1,0,0,0,0|2,0,1]=4 7690 B13R0.336 CCCCOCCCNCCCCO 2230a_200000211371_100000210776 [0,1,0,0,0,0|1,0,2]=4 7691 B13R0.336 CCCCOCCCNCCCCO 34a_200000211371_100011216708 [0,1,0,0,0,0|1,0,2]=4 7692 B13R0.336 CCCCOCCCNCCCOC 2230a_200000211371_100000740836 [0,1,0,0,0,0|3,0,0]=4 7693 B13R0.336 CCCCOCCCNCCCOC 34a_200000211371_100000740836 [0,1,0,0,0,0|3,0,0]=4 7694 B13R0.336 CCCCOCCCOCCCC#N 7a_200011215613_100000687738 [0,1,0,0,0,0|2,0,1]=4 7695 B13R0.336 CCCCOCCCOCCCC=O 7a_200011215613_200011292268 [0,1,0,0,0,0|1,0,0]=2 7696 B13R0.336 CCCCOCCCOCCCCF 34a_200011215613_100000729493 [0,1,0,0,0,0|2,0,1]=4 7697 B13R0.336 CCCCOCCCOCCCCF 7a_200011215613_100000729493 [0,1,0,0,0,0|2,0,1]=4 7698 B13R0.336 CCCCOCCCOCCCCO 34a_200011215613_100011216708 [0,1,0,0,0,0|1,0,2]=4 7699 B13R0.336 CCCCOCCCOCCCCO 7a_200011215613_100000210776 [0,1,0,0,0,0|1,0,2]=4 7700 B13R0.336 CCCCOCCCOCCCOC 34a_200011215475_100000210210 [0,1,0,0,0,0|3,0,0]=4 7701 B13R0.336 CCCCOCCCOCCCOC 34a_200011215613_100000740836 [0,1,0,0,0,0|3,0,0]=4 7702 B13R0.336 CCCCOCCCOCCCOC 7a_200011215475_100000210211 [0,1,0,0,0,0|3,0,0]=4 7703 B13R0.336 CCCCOCCCOCCCOC 7a_200011215613_100000740836 [0,1,0,0,0,0|3,0,0]=4 7704 B13R0.336 CCCCOCCNCCCCCO 2230a_100000762737_100000743108 [0,1,0,0,0,0|1,0,2]=4 7705 B13R0.336 CCCCOCCNCCCCCO 34a_100000762737_100000743108 [0,1,0,0,0,0|1,0,2]=4 7706 B13R0.336 CCCCOCCOCCCCC#N 7a_100000210238_100000211819 [0,1,0,0,0,0|2,0,1]=4 7707 B13R0.336 CCCCOCCOCCCCC=O 7a_100000210238_100000139335 [0,1,0,0,0,0|1,0,0]=2 7708 B13R0.336 CCCCOCCOCCCCCBr 34a_100000746331_100000743108 [0,1,0,0,0,0|2,0,1]=4 7709 B13R0.336 CCCCOCCOCCCCCBr 7a_100000746331_100000743108 [0,1,0,0,0,0|2,0,1]=4 7710 B13R0.336 CCCCOCCOCCCCCCl 34a_100000746330_100000743108 [0,1,0,0,0,0|2,0,1]=4 7711 B13R0.336 CCCCOCCOCCCCCCl 7a_100000746330_100000743108 [0,1,0,0,0,0|2,0,1]=4 7712 B13R0.336 CCCCOCCOCCCCCF 34a_100000210238_100000729378 [0,1,0,0,0,0|2,0,1]=4 7713 B13R0.336 CCCCOCCOCCCCCF 7a_100000210238_100000729378 [0,1,0,0,0,0|2,0,1]=4 7714 B13R0.336 CCCCOCCOCCCCCI 34a_200012148887_100000743108 [0,1,0,0,0,0|2,0,1]=4 7715 B13R0.336 CCCCOCCOCCCCCI 7a_200012148887_100000743108 [0,1,0,0,0,0|2,0,1]=4 7716 B13R0.336 CCCCOCCOCCCCCN 34a_100000762737_100000743108 [0,1,0,0,0,0|2,0,1]=4 7717 B13R0.336 CCCCOCCOCCCCCO 34a_100000210238_100000746330 [0,1,0,0,0,0|1,0,2]=4 7718 B13R0.336 CCCCOCCOCCCCCO 7a_100000210238_100000746330 [0,1,0,0,0,0|1,0,2]=4 7719 B13R0.336 CCCCOCCOCCCCOC 34a_100000210238_100000755781 [0,1,0,0,0,0|3,0,0]=4 7720 B13R0.336 CCCCOCCOCCCCOC 34a_100000740925_100000743108 [0,1,0,0,0,0|3,0,0]=4 7721 B13R0.336 CCCCOCCOCCCCOC 7a_100000210238_100000730899 [0,1,0,0,0,0|3,0,0]=4 7722 B13R0.336 CCCCOCCOCCCCSC 34a_100011217163_100000743108 [0,1,0,0,0,0|3,0,0]=4 7723 B13R0.336 CCCCOCCOCCCCSC 7a_100011217163_100000743108 [0,1,0,0,0,0|3,0,0]=4 7724 B13R0.336 CCCCOCCOCCOCC=O 34a_100011215186_200009817547 [0,1,0,0,0,0|2,0,0]=3 7725 B13R0.336 CCCCOCCOCCOCC=O 7a_100011215186_200015260668 [0,1,0,0,0,0|2,0,0]=3 7726 B13R0.336 CCCCOCCSCCCCC#N 62a_100000743108_100000211819 [0,1,0,0,0,0|2,0,1]=4 7727 B13R0.336 CCCCOCCSCCCCC#N 62a_100011219923_100000743108 [0,1,0,0,0,0|2,0,1]=4 7728 B13R0.336 CCCCOCCSCCCCC=O 62a_100000139335_100000743108 [0,1,0,0,0,0|1,0,0]=2 7729 B13R0.336 CCCCOCCSCCCCC=O 62a_100000743108_100000139335 [0,1,0,0,0,0|1,0,0]=2 7730 B13R0.336 CCCCOCCSCCCCCF 62a_100000729378_100000743108 [0,1,0,0,0,0|2,0,1]=4 7731 B13R0.336 CCCCOCCSCCCCCF 62a_100000743108_100000729378 [0,1,0,0,0,0|2,0,1]=4 7732 B13R0.336 CCCCOCCSCCCCCO 62a_100000743108_100000746330 [0,1,0,0,0,0|1,0,2]=4 7733 B13R0.336 CCCCOCCSCCCCCO 62a_100000746330_100000743108 [0,1,0,0,0,0|1,0,2]=4 7734 B13R0.336 CCCCOCCSCCCCOC 62a_100000730899_100000743108 [0,1,0,0,0,0|3,0,0]=4 7735 B13R0.336 CCCCOCCSCCCCOC 62a_100000743108_100000730899 [0,1,0,0,0,0|3,0,0]=4 7736 B13R0.336 CCCCOCNCCCCCCO 2230a_100000686447_100011995733 [0,1,0,0,0,0|1,0,2]=4 7737 B13R0.336 CCCCOCNCCCCCCO 34a_100000686447_100011995733 [0,1,0,0,0,0|1,0,2]=4 7738 B13R0.336 CCCCOCNCCCCCOC 2230a_100000747528_100011995733 [0,1,0,0,0,0|3,0,0]=4 7739 B13R0.336 CCCCOCNCCCCCOC 34a_100000747528_100011995733 [0,1,0,0,0,0|3,0,0]=4 7740 B13R0.336 CCCCOCOCCCCCCBr 34a_100011215345_100011995733 [0,1,0,0,0,0|2,0,1]=4 7741 B13R0.336 CCCCOCOCCCCCCCl 34a_100000766143_100011995733 [0,1,0,0,0,0|2,0,1]=4 7742 B13R0.336 CCCCOCOCCCCCCF 34a_100000732779_100011995733 [0,1,0,0,0,0|2,0,1]=4 7743 B13R0.336 CCCCOCOCCCCCCN 34a_100000686447_100011995733 [0,1,0,0,0,0|2,0,1]=4 7744 B13R0.336 CCCCOCOCCCCCNC 34a_100000722520_100011995733 [0,1,0,0,0,0|3,0,0]=4 7745 B13R0.336 CCCCOCSCCCCCC#N 62a_100009813376_100011995733 [0,1,0,0,0,0|2,0,1]=4 7746 B13R0.336 CCCCOCSCCCCCC#N 62a_100011995733_100009813376 [0,1,0,0,0,0|2,0,1]=4 7747 B13R0.336 CCCCOCSCCCCCC=O 62a_100000139337_100011995733 [0,1,0,0,0,0|1,0,0]=2 7748 B13R0.336 CCCCOCSCCCCCC=O 62a_100011995733_100000139337 [0,1,0,0,0,0|1,0,0]=2 7749 B13R0.336 CCCCOCSCCCCCCF 62a_100011995733_100015922095 [0,1,0,0,0,0|2,0,1]=4 7750 B13R0.336 CCCCOCSCCCCCCF 62a_100015922095_100011995733 [0,1,0,0,0,0|2,0,1]=4 7751 B13R0.336 CCCCOCSCCCCCCO 62a_100000766143_100011995733 [0,1,0,0,0,0|1,0,2]=4 7752 B13R0.336 CCCCOCSCCCCCCO 62a_100011995733_100000766143 [0,1,0,0,0,0|1,0,2]=4 7753 B13R0.336 CCCCSCCCCCCCCO 62a_100000033203_100000210210 [0,1,0,0,0,0|0,0,2]=3 7754 B13R0.336 CCCCSCCCCCCCCO 62a_100000210211_100000033203 [0,1,0,0,0,0|0,0,2]=3 7755 B13R0.336 CCCCSCCNCCCCC#N 2230a_100025743550_100000211819 [0,1,0,0,0,0|2,0,1]=4 7756 B13R0.336 CCCCSCCNCCCCC=O 2230a_100025743550_100000139335 [0,1,0,0,0,0|1,0,0]=2 7757 B13R0.336 CCCCSCCNCCCCCF 2230a_100025743550_100000729378 [0,1,0,0,0,0|2,0,1]=4 7758 B13R0.336 CCCCSCCNCCCCCO 2230a_100025743550_100000746330 [0,1,0,0,0,0|1,0,2]=4 7759 B13R0.336 CCCCSCCNCCCCOC 2230a_100025743550_100000730899 [0,1,0,0,0,0|3,0,0]=4 7760 B13R0.336 CCCCSCCOCCCCC#N 7a_200000230436_100000211819 [0,1,0,0,0,0|2,0,1]=4 7761 B13R0.336 CCCCSCCOCCCCC=O 7a_200000230436_100000139335 [0,1,0,0,0,0|1,0,0]=2 7762 B13R0.336 CCCCSCCOCCCCCF 34a_200000230436_100000729378 [0,1,0,0,0,0|2,0,1]=4 7763 B13R0.336 CCCCSCCOCCCCCF 7a_200000230436_100000729378 [0,1,0,0,0,0|2,0,1]=4 7764 B13R0.336 CCCCSCCOCCCCCO 34a_200000230436_100000746330 [0,1,0,0,0,0|1,0,2]=4 7765 B13R0.336 CCCCSCCOCCCCCO 7a_200000230436_100000746330 [0,1,0,0,0,0|1,0,2]=4 7766 B13R0.336 CCCCSCCOCCCCOC 34a_200000230436_100000755781 [0,1,0,0,0,0|3,0,0]=4 7767 B13R0.336 CCCCSCCOCCCCOC 7a_200000230436_100000730899 [0,1,0,0,0,0|3,0,0]=4 7768 B13R0.336 CCCNCCCCCCCCCO 2230a_100000078944_100000210303 [0,1,0,0,0,0|0,0,2]=3 7769 B13R0.336 CCCNCCCCCCCCCO 34a_100000078944_100000210303 [0,1,0,0,0,0|0,0,2]=3 7770 B13R0.336 CCCOCCCCCCCCCBr 34a_100009813782_100000210303 [0,1,0,0,0,0|1,0,1]=3 7771 B13R0.336 CCCOCCCCCCCCCBr 7a_100009813782_100000210303 [0,1,0,0,0,0|1,0,1]=3 7772 B13R0.336 CCCOCCCCCCCCCCl 34a_100009868337_100000210303 [0,1,0,0,0,0|1,0,1]=3 7773 B13R0.336 CCCOCCCCCCCCCCl 7a_100009868337_100000210303 [0,1,0,0,0,0|1,0,1]=3 7774 B13R0.336 CCCOCCCCCCCCCN 34a_100000078944_100000210303 [0,1,0,0,0,0|1,0,1]=3 7775 B13R0.336 CCCOCCCCCCCCCO 34a_100000210258_100009813782 [0,1,0,0,0,0|0,0,2]=3 7776 B13R0.336 CCCOCCCNCCCCC#N 2230a_100011217757_100000211819 [0,1,0,0,0,0|2,0,1]=4 7777 B13R0.336 CCCOCCCNCCCCC=O 2230a_100011217757_100000139335 [0,1,0,0,0,0|1,0,0]=2 7778 B13R0.336 CCCOCCCNCCCCCF 2230a_100011217757_100000729378 [0,1,0,0,0,0|2,0,1]=4 7779 B13R0.336 CCCOCCCNCCCCCF 34a_100011217757_100000729378 [0,1,0,0,0,0|2,0,1]=4 7780 B13R0.336 CCCOCCCNCCCCCO 2230a_100011217757_100000746330 [0,1,0,0,0,0|1,0,2]=4 7781 B13R0.336 CCCOCCCNCCCCCO 34a_100011217757_100000746330 [0,1,0,0,0,0|1,0,2]=4 7782 B13R0.336 CCCOCCCNCCCCOC 2230a_100011217757_100000730899 [0,1,0,0,0,0|3,0,0]=4 7783 B13R0.336 CCCOCCCNCCCCOC 34a_100011217757_100000755781 [0,1,0,0,0,0|3,0,0]=4 7784 B13R0.336 CCCOCCNCCCCCC#N 2230a_100161115042_100009813376 [0,1,0,0,0,0|2,0,1]=4 7785 B13R0.336 CCCOCCNCCCCCC=O 2230a_100161115042_100000139337 [0,1,0,0,0,0|1,0,0]=2 7786 B13R0.336 CCCOCCNCCCCCCF 2230a_100161115042_100015922095 [0,1,0,0,0,0|2,0,1]=4 7787 B13R0.336 CCCOCCNCCCCCCF 34a_100161115042_100015922095 [0,1,0,0,0,0|2,0,1]=4 7788 B13R0.336 CCCOCCNCCCCCCO 2230a_100000686447_100011215938 [0,1,0,0,0,0|1,0,2]=4 7789 B13R0.336 CCCOCCNCCCCCCO 2230a_100161115042_100000766143 [0,1,0,0,0,0|1,0,2]=4 7790 B13R0.336 CCCOCCNCCCCCCO 34a_100000686447_100011215938 [0,1,0,0,0,0|1,0,2]=4 7791 B13R0.336 CCCOCCNCCCCCCO 34a_100161115042_100000766143 [0,1,0,0,0,0|1,0,2]=4 7792 B13R0.336 CCCOCCNCCCCCOC 2230a_100000747528_100011215938 [0,1,0,0,0,0|3,0,0]=4 7793 B13R0.336 CCCOCCNCCCCCOC 34a_100000747528_100011215938 [0,1,0,0,0,0|3,0,0]=4 7794 B13R0.336 CCCOCCOCCCCCC#N 7a_100000752267_100009813376 [0,1,0,0,0,0|2,0,1]=4 7795 B13R0.336 CCCOCCOCCCCCC=O 7a_100000752267_100000139337 [0,1,0,0,0,0|1,0,0]=2 7796 B13R0.336 CCCOCCOCCCCCCBr 34a_100011215345_100011215938 [0,1,0,0,0,0|2,0,1]=4 7797 B13R0.336 CCCOCCOCCCCCCBr 7a_100011215345_100011215938 [0,1,0,0,0,0|2,0,1]=4 7798 B13R0.336 CCCOCCOCCCCCCCl 34a_100000766143_100011215938 [0,1,0,0,0,0|2,0,1]=4 7799 B13R0.336 CCCOCCOCCCCCCCl 7a_100000766143_100011215938 [0,1,0,0,0,0|2,0,1]=4 7800 B13R0.336 CCCOCCOCCCCCCF 34a_100000732779_100011215938 [0,1,0,0,0,0|2,0,1]=4 7801 B13R0.336 CCCOCCOCCCCCCF 34a_100000752267_100015922095 [0,1,0,0,0,0|2,0,1]=4 7802 B13R0.336 CCCOCCOCCCCCCF 7a_100000732779_100011215938 [0,1,0,0,0,0|2,0,1]=4 7803 B13R0.336 CCCOCCOCCCCCCF 7a_100000752267_100015922095 [0,1,0,0,0,0|2,0,1]=4 7804 B13R0.336 CCCOCCOCCCCCCN 34a_100000686447_100011215938 [0,1,0,0,0,0|2,0,1]=4 7805 B13R0.336 CCCOCCOCCCCCCO 34a_100000752267_100000766143 [0,1,0,0,0,0|1,0,2]=4 7806 B13R0.336 CCCOCCOCCCCCCO 7a_100000752267_100000766143 [0,1,0,0,0,0|1,0,2]=4 7807 B13R0.336 CCCOCCOCCCCCNC 34a_100000722520_100011215938 [0,1,0,0,0,0|3,0,0]=4 7808 B13R0.336 CCCOCCSCCCCCC#N 62a_100009813376_100011215938 [0,1,0,0,0,0|2,0,1]=4 7809 B13R0.336 CCCOCCSCCCCCC#N 62a_100011215938_100009813376 [0,1,0,0,0,0|2,0,1]=4 7810 B13R0.336 CCCOCCSCCCCCC=O 62a_100000139337_100011215938 [0,1,0,0,0,0|1,0,0]=2 7811 B13R0.336 CCCOCCSCCCCCC=O 62a_100011215938_100000139337 [0,1,0,0,0,0|1,0,0]=2 7812 B13R0.336 CCCOCCSCCCCCCF 62a_100011215938_100015922095 [0,1,0,0,0,0|2,0,1]=4 7813 B13R0.336 CCCOCCSCCCCCCF 62a_100015922095_100011215938 [0,1,0,0,0,0|2,0,1]=4 7814 B13R0.336 CCCOCCSCCCCCCO 62a_100000766143_100011215938 [0,1,0,0,0,0|1,0,2]=4 7815 B13R0.336 CCCOCCSCCCCCCO 62a_100011215938_100000766143 [0,1,0,0,0,0|1,0,2]=4 7816 B13R0.336 CCCSCCCCCCCCCO 62a_100000210303_100009813782 [0,1,0,0,0,0|0,0,2]=3 7817 B13R0.336 CCCSCCCCCCCCCO 62a_100009813782_100000210303 [0,1,0,0,0,0|0,0,2]=3 7818 B13R0.336 CCCSCCNCCCCCC#N 2230a_100020603323_100009813376 [0,1,0,0,0,0|2,0,1]=4 7819 B13R0.336 CCCSCCNCCCCCC=O 2230a_100020603323_100000139337 [0,1,0,0,0,0|1,0,0]=2 7820 B13R0.336 CCCSCCNCCCCCCF 2230a_100020603323_100015922095 [0,1,0,0,0,0|2,0,1]=4 7821 B13R0.336 CCCSCCNCCCCCCO 2230a_100020603323_100000766143 [0,1,0,0,0,0|1,0,2]=4 7822 B13R0.336 CCCSCCOCCCCCC#N 7a_200000230433_100009813376 [0,1,0,0,0,0|2,0,1]=4 7823 B13R0.336 CCCSCCOCCCCCC=O 7a_200000230433_100000139337 [0,1,0,0,0,0|1,0,0]=2 7824 B13R0.336 CCCSCCOCCCCCCF 34a_200000230433_100015922095 [0,1,0,0,0,0|2,0,1]=4 7825 B13R0.336 CCCSCCOCCCCCCF 7a_200000230433_100015922095 [0,1,0,0,0,0|2,0,1]=4 7826 B13R0.336 CCCSCCOCCCCCCO 34a_200000230433_100000766143 [0,1,0,0,0,0|1,0,2]=4 7827 B13R0.336 CCCSCCOCCCCCCO 7a_200000230433_100000766143 [0,1,0,0,0,0|1,0,2]=4 7828 B13R0.336 CCNCCCCCCCCCCO 2230a_100000066964_100000210202 [0,1,0,0,0,0|0,0,2]=3 7829 B13R0.336 CCNCCCCCCCCCCO 2230a_100015525214_100009813290 [0,1,0,0,0,0|0,0,2]=3 7830 B13R0.336 CCNCCCCCCCCCCO 34a_100000066964_100000210202 [0,1,0,0,0,0|0,0,2]=3 7831 B13R0.336 CCOCCCCCCCCCCBr 34a_100009813290_100000210202 [0,1,0,0,0,0|1,0,1]=3 7832 B13R0.336 CCOCCCCCCCCCCBr 7a_100009813290_100000210202 [0,1,0,0,0,0|1,0,1]=3 7833 B13R0.336 CCOCCCCCCCCCCCl 34a_200000033068_100000210202 [0,1,0,0,0,0|1,0,1]=3 7834 B13R0.336 CCOCCCCCCCCCCCl 7a_200000033068_100000210202 [0,1,0,0,0,0|1,0,1]=3 7835 B13R0.336 CCOCCCCCCCCCCN 34a_100000066964_100000210202 [0,1,0,0,0,0|1,0,1]=3 7836 B13R0.336 CCOCCCCCCCCCCO 34a_100121572206_100009813290 [0,1,0,0,0,0|0,0,2]=3 7837 B13R0.336 CCOCCCCCCCCCOC 34a_100009875440_200000210301 [0,1,0,0,0,0|2,0,0]=3 7838 B13R0.336 CCOCCCCCCCCCOC 7a_100009875440_200000210301 [0,1,0,0,0,0|2,0,0]=3 7839 B13R0.336 CCOCCCCCCCCCO[13CH3] 34a_100009875440_200025704644 [0,1,0,0,0,0|2,0,0]=3 7840 B13R0.336 CCOCCCCCCCCCO[13CH3] 7a_100009875440_200025704644 [0,1,0,0,0,0|2,0,0]=3 7841 B13R0.336 CCOCCCNCCCCCC#N 2230a_100000210961_100009813376 [0,1,0,0,0,0|2,0,1]=4 7842 B13R0.336 CCOCCCNCCCCCC=O 2230a_100000210961_100000139337 [0,1,0,0,0,0|1,0,0]=2 7843 B13R0.336 CCOCCCNCCCCCCF 2230a_100000210961_100015922095 [0,1,0,0,0,0|2,0,1]=4 7844 B13R0.336 CCOCCCNCCCCCCF 34a_100000210961_100015922095 [0,1,0,0,0,0|2,0,1]=4 7845 B13R0.336 CCOCCCNCCCCCCO 2230a_100000210961_100000766143 [0,1,0,0,0,0|1,0,2]=4 7846 B13R0.336 CCOCCCNCCCCCCO 2230a_100000686447_100012232248 [0,1,0,0,0,0|1,0,2]=4 7847 B13R0.336 CCOCCCNCCCCCCO 34a_100000210961_100000766143 [0,1,0,0,0,0|1,0,2]=4 7848 B13R0.336 CCOCCCNCCCCCCO 34a_100000686447_100012232248 [0,1,0,0,0,0|1,0,2]=4 7849 B13R0.336 CCOCCCNCCCCCOC 2230a_100000747528_100012232248 [0,1,0,0,0,0|3,0,0]=4 7850 B13R0.336 CCOCCCNCCCCCOC 34a_100000747528_100012232248 [0,1,0,0,0,0|3,0,0]=4 7851 B13R0.336 CCOCCCOCCCCCC#N 7a_100000757476_100009813376 [0,1,0,0,0,0|2,0,1]=4 7852 B13R0.336 CCOCCCOCCCCCC=O 7a_100000757476_100000139337 [0,1,0,0,0,0|1,0,0]=2 7853 B13R0.336 CCOCCCOCCCCCCBr 34a_100011215345_100012232248 [0,1,0,0,0,0|2,0,1]=4 7854 B13R0.336 CCOCCCOCCCCCCBr 7a_100011215345_100012232248 [0,1,0,0,0,0|2,0,1]=4 7855 B13R0.336 CCOCCCOCCCCCCCl 34a_100000766143_100012232248 [0,1,0,0,0,0|2,0,1]=4 7856 B13R0.336 CCOCCCOCCCCCCCl 7a_100000766143_100012232248 [0,1,0,0,0,0|2,0,1]=4 7857 B13R0.336 CCOCCCOCCCCCCF 34a_100000732779_100012232248 [0,1,0,0,0,0|2,0,1]=4 7858 B13R0.336 CCOCCCOCCCCCCF 34a_100000757476_100015922095 [0,1,0,0,0,0|2,0,1]=4 7859 B13R0.336 CCOCCCOCCCCCCF 7a_100000732779_100012232248 [0,1,0,0,0,0|2,0,1]=4 7860 B13R0.336 CCOCCCOCCCCCCF 7a_100000757476_100015922095 [0,1,0,0,0,0|2,0,1]=4 7861 B13R0.336 CCOCCCOCCCCCCN 34a_100000686447_100012232248 [0,1,0,0,0,0|2,0,1]=4 7862 B13R0.336 CCOCCCOCCCCCCO 34a_100000757476_100000766143 [0,1,0,0,0,0|1,0,2]=4 7863 B13R0.336 CCOCCCOCCCCCCO 7a_100000757476_100000766143 [0,1,0,0,0,0|1,0,2]=4 7864 B13R0.336 CCOCCCOCCCCCNC 34a_100000722520_100012232248 [0,1,0,0,0,0|3,0,0]=4 7865 B13R0.336 CCOCCCSCCCCCC#N 62a_100009813376_100012232248 [0,1,0,0,0,0|2,0,1]=4 7866 B13R0.336 CCOCCCSCCCCCC#N 62a_100012232248_100009813376 [0,1,0,0,0,0|2,0,1]=4 7867 B13R0.336 CCOCCCSCCCCCC=O 62a_100000139337_100012232248 [0,1,0,0,0,0|1,0,0]=2 7868 B13R0.336 CCOCCCSCCCCCC=O 62a_100012232248_100000139337 [0,1,0,0,0,0|1,0,0]=2 7869 B13R0.336 CCOCCCSCCCCCCF 62a_100012232248_100015922095 [0,1,0,0,0,0|2,0,1]=4 7870 B13R0.336 CCOCCCSCCCCCCF 62a_100015922095_100012232248 [0,1,0,0,0,0|2,0,1]=4 7871 B13R0.336 CCOCCCSCCCCCCO 62a_100000766143_100012232248 [0,1,0,0,0,0|1,0,2]=4 7872 B13R0.336 CCOCCCSCCCCCCO 62a_100012232248_100000766143 [0,1,0,0,0,0|1,0,2]=4 7873 B13R0.336 CCOCCNCCCCCCC#N 2230a_102516460346_100009813337 [0,1,0,0,0,0|2,0,1]=4 7874 B13R0.336 CCOCCNCCCCCCCO 2230a_100011996573_100011215890 [0,1,0,0,0,0|1,0,2]=4 7875 B13R0.336 CCOCCNCCCCCCCO 2230a_102516460346_100000760002 [0,1,0,0,0,0|1,0,2]=4 7876 B13R0.336 CCOCCNCCCCCCCO 34a_100011996573_100000210147 [0,1,0,0,0,0|1,0,2]=4 7877 B13R0.336 CCOCCNCCCCCCCO 34a_102516460346_100000760002 [0,1,0,0,0,0|1,0,2]=4 7878 B13R0.336 CCOCCNCCCCCCOC 2230a_102516460346_100011998445 [0,1,0,0,0,0|3,0,0]=4 7879 B13R0.336 CCOCCNCCCCCCOC 34a_102516460346_100011998445 [0,1,0,0,0,0|3,0,0]=4 7880 B13R0.336 CCOCCOCCCCCCC#N 7a_100000210136_100009813337 [0,1,0,0,0,0|2,0,1]=4 7881 B13R0.336 CCOCCOCCCCCCCBr 34a_100000760002_100000210147 [0,1,0,0,0,0|2,0,1]=4 7882 B13R0.336 CCOCCOCCCCCCCBr 7a_100000760002_100011215890 [0,1,0,0,0,0|2,0,1]=4 7883 B13R0.336 CCOCCOCCCCCCCN 34a_100011996573_100000210147 [0,1,0,0,0,0|2,0,1]=4 7884 B13R0.336 CCOCCOCCCCCCCO 34a_100000210136_100000760002 [0,1,0,0,0,0|1,0,2]=4 7885 B13R0.336 CCOCCOCCCCCCCO 7a_100000210136_100000760002 [0,1,0,0,0,0|1,0,2]=4 7886 B13R0.336 CCOCCOCCCCCCOC 34a_100000210136_100011998445 [0,1,0,0,0,0|3,0,0]=4 7887 B13R0.336 CCOCCOCCCCCCOC 34a_200012092642_100000210147 [0,1,0,0,0,0|3,0,0]=4 7888 B13R0.336 CCOCCOCCCCCCOC 7a_100000210136_100011998445 [0,1,0,0,0,0|3,0,0]=4 7889 B13R0.336 CCOCCOCCCCCCOC 7a_200012092642_100011215890 [0,1,0,0,0,0|3,0,0]=4 7890 B13R0.336 CCOCCOCCNCCCC=O 2230a_100102712874_200011292268 [0,1,0,0,0,0|2,0,0]=3 7891 B13R0.336 CCOCCOCCOCCCC=O 7a_100000210240_200011292268 [0,1,0,0,0,0|2,0,0]=3 7892 B13R0.336 CCOCCOCCSCCCC=O 62a_100011211534_200011292268 [0,1,0,0,0,0|2,0,0]=3 7893 B13R0.336 CCOCCOCCSCCCC=O 62a_200011292268_100011211534 [0,1,0,0,0,0|2,0,0]=3 7894 B13R0.336 CCOCCSCCCCCCC#N 62a_100000210147_100009813337 [0,1,0,0,0,0|2,0,1]=4 7895 B13R0.336 CCOCCSCCCCCCC#N 62a_100009813337_100011215890 [0,1,0,0,0,0|2,0,1]=4 7896 B13R0.336 CCOCCSCCCCCCCO 62a_100000210147_100000760002 [0,1,0,0,0,0|1,0,2]=4 7897 B13R0.336 CCOCCSCCCCCCCO 62a_100000760002_100011215890 [0,1,0,0,0,0|1,0,2]=4 7898 B13R0.336 CCOCCSCCCCCCOC 62a_100000210147_100011998445 [0,1,0,0,0,0|3,0,0]=4 7899 B13R0.336 CCOCCSCCCCCCOC 62a_100011998445_100011215890 [0,1,0,0,0,0|3,0,0]=4 7900 B13R0.336 CCOCSCCCCCCCCO 62a_100000033203_100000739092 [0,1,0,0,0,0|1,0,2]=4 7901 B13R0.336 CCOCSCCCCCCCCO 62a_100000739092_100000033203 [0,1,0,0,0,0|1,0,2]=4 7902 B13R0.336 CCSCCCCCCCCCCO 62a_100000210202_200000033068 [0,1,0,0,0,0|0,0,2]=3 7903 B13R0.336 CCSCCCCCCCCCCO 62a_100009813290_100000210202 [0,1,0,0,0,0|0,0,2]=3 7904 B13R0.336 CCSCCCOCCCCCC#N 7a_100011216438_100009813376 [0,1,0,0,0,0|2,0,1]=4 7905 B13R0.336 CCSCCCOCCCCCC=O 7a_100011216438_100000139337 [0,1,0,0,0,0|1,0,0]=2 7906 B13R0.336 CCSCCCOCCCCCCF 34a_100011216438_100015922095 [0,1,0,0,0,0|2,0,1]=4 7907 B13R0.336 CCSCCCOCCCCCCF 7a_100011216438_100015922095 [0,1,0,0,0,0|2,0,1]=4 7908 B13R0.336 CCSCCCOCCCCCCO 34a_100011216438_100000766143 [0,1,0,0,0,0|1,0,2]=4 7909 B13R0.336 CCSCCCOCCCCCCO 7a_100011216438_100000766143 [0,1,0,0,0,0|1,0,2]=4 7910 B13R0.336 CCSCCNCCCCCCC#N 2230a_100000106463_100009813337 [0,1,0,0,0,0|2,0,1]=4 7911 B13R0.336 CCSCCNCCCCCCCO 2230a_100000106463_100000760002 [0,1,0,0,0,0|1,0,2]=4 7912 B13R0.336 CCSCCNCCCCCCCO 2230a_100011996573_100000757381 [0,1,0,0,0,0|1,0,2]=4 7913 B13R0.336 CCSCCNCCCCCCCO 34a_100011996573_100000757381 [0,1,0,0,0,0|1,0,2]=4 7914 B13R0.336 CCSCCNCCCCCCOC 2230a_100000106463_100011998445 [0,1,0,0,0,0|3,0,0]=4 7915 B13R0.336 CCSCCOCCCCCCC#N 7a_100000212035_100009813337 [0,1,0,0,0,0|2,0,1]=4 7916 B13R0.336 CCSCCOCCCCCCCBr 34a_100000760002_100000757381 [0,1,0,0,0,0|2,0,1]=4 7917 B13R0.336 CCSCCOCCCCCCCBr 7a_100000760002_100000757381 [0,1,0,0,0,0|2,0,1]=4 7918 B13R0.336 CCSCCOCCCCCCCN 34a_100011996573_100000757381 [0,1,0,0,0,0|2,0,1]=4 7919 B13R0.336 CCSCCOCCCCCCCO 34a_100000212035_100000760002 [0,1,0,0,0,0|1,0,2]=4 7920 B13R0.336 CCSCCOCCCCCCCO 7a_100000212035_100000760002 [0,1,0,0,0,0|1,0,2]=4 7921 B13R0.336 CCSCCOCCCCCCOC 34a_100000212035_100011998445 [0,1,0,0,0,0|3,0,0]=4 7922 B13R0.336 CCSCCOCCCCCCOC 34a_200012092642_100000757381 [0,1,0,0,0,0|3,0,0]=4 7923 B13R0.336 CCSCCOCCCCCCOC 7a_100000212035_100011998445 [0,1,0,0,0,0|3,0,0]=4 7924 B13R0.336 CCSCCOCCCCCCOC 7a_200012092642_100000757381 [0,1,0,0,0,0|3,0,0]=4 7925 B13R0.336 CCSCCSCCCCCCC#N 62a_100000757381_100009813337 [0,1,0,0,0,0|2,0,1]=4 7926 B13R0.336 CCSCCSCCCCCCC#N 62a_100009813337_100000757381 [0,1,0,0,0,0|2,0,1]=4 7927 B13R0.336 CCSCCSCCCCCCCO 62a_100000757381_100000760002 [0,1,0,0,0,0|1,0,2]=4 7928 B13R0.336 CCSCCSCCCCCCCO 62a_100000760002_100000757381 [0,1,0,0,0,0|1,0,2]=4 7929 B13R0.336 CCSCCSCCCCCCOC 62a_100000757381_100011998445 [0,1,0,0,0,0|3,0,0]=4 7930 B13R0.336 CCSCCSCCCCCCOC 62a_100011998445_100000757381 [0,1,0,0,0,0|3,0,0]=4 7931 B13R0.336 CNCCCCCCCCCCCO 2230a_106832991635_100009812471 [0,1,0,0,0,0|0,0,2]=3 7932 B13R0.336 CNCCCCCCCCCCCO 34a_100102657272_100009812471 [0,1,0,0,0,0|0,0,2]=3 7933 B13R0.336 CNCCCCCCCCCCCO 7a_106832991635_100009812471 [0,1,0,0,0,0|0,0,2]=3 7934 B13R0.336 CNCCCCCOCCCCCF 34a_100000722520_100000729378 [0,1,0,0,0,0|2,0,1]=4 7935 B13R0.336 CNCCCCCOCCCCCO 34a_100000722520_100000746330 [0,1,0,0,0,0|1,0,2]=4 7936 B13R0.336 CNCCCCCOCCCCOC 34a_100000722520_100000755781 [0,1,0,0,0,0|3,0,0]=4 7937 B13R0.336 CNCCCOCCCCCCCO 34a_100000213112_100000760002 [0,1,0,0,0,0|1,0,2]=4 7938 B13R0.336 CNCCCOCCCCCCOC 34a_100000213112_100011998445 [0,1,0,0,0,0|3,0,0]=4 7939 B13R0.336 CNCCOCCOCCOCC=O 34a_200014138305_200009817547 [0,1,0,0,0,0|3,0,0]=4 7940 B13R0.336 COCCCCCCCCCCCBr 34a_100009812471_200000210301 [0,1,0,0,0,0|1,0,1]=3 7941 B13R0.336 COCCCCCCCCCCCBr 7a_100009812471_200000210301 [0,1,0,0,0,0|1,0,1]=3 7942 B13R0.336 COCCCCCCCCCCCO 34a_100138415774_100009812471 [0,1,0,0,0,0|0,0,2]=3 7943 B13R0.336 COCCCCCCNCCCCO 2230a_100000750430_100011998445 [0,1,0,0,0,0|1,0,2]=4 7944 B13R0.336 COCCCCCCNCCCCO 34a_100000750430_100011998445 [0,1,0,0,0,0|1,0,2]=4 7945 B13R0.336 COCCCCCCNCCCOC 34a_100150723488_100011998445 [0,1,0,0,0,0|3,0,0]=4 7946 B13R0.336 COCCCCCCNCCCSC 2230a_100000749238_100011998445 [0,1,0,0,0,0|3,0,0]=4 7947 B13R0.336 COCCCCCCOCCCC#N 7a_200012092642_100000687738 [0,1,0,0,0,0|2,0,1]=4 7948 B13R0.336 COCCCCCCOCCCC=O 7a_200012092642_200011292268 [0,1,0,0,0,0|1,0,0]=2 7949 B13R0.336 COCCCCCCOCCCCBr 34a_100011216708_100011998445 [0,1,0,0,0,0|2,0,1]=4 7950 B13R0.336 COCCCCCCOCCCCCl 34a_100000210776_100011998445 [0,1,0,0,0,0|2,0,1]=4 7951 B13R0.336 COCCCCCCOCCCCCl 7a_100000210776_100011998445 [0,1,0,0,0,0|2,0,1]=4 7952 B13R0.336 COCCCCCCOCCCCF 34a_100011995726_100011998445 [0,1,0,0,0,0|2,0,1]=4 7953 B13R0.336 COCCCCCCOCCCCF 34a_200012092642_100000729493 [0,1,0,0,0,0|2,0,1]=4 7954 B13R0.336 COCCCCCCOCCCCF 7a_100011995726_100011998445 [0,1,0,0,0,0|2,0,1]=4 7955 B13R0.336 COCCCCCCOCCCCF 7a_200012092642_100000729493 [0,1,0,0,0,0|2,0,1]=4 7956 B13R0.336 COCCCCCCOCCCCI 34a_200012148704_100011998445 [0,1,0,0,0,0|2,0,1]=4 7957 B13R0.336 COCCCCCCOCCCCN 34a_100000750430_100011998445 [0,1,0,0,0,0|2,0,1]=4 7958 B13R0.336 COCCCCCCOCCCCO 34a_200012092642_100011216708 [0,1,0,0,0,0|1,0,2]=4 7959 B13R0.336 COCCCCCCOCCCCO 7a_200012092642_100000210776 [0,1,0,0,0,0|1,0,2]=4 7960 B13R0.336 COCCCCCCOCCCOC 34a_100000740835_100011998445 [0,1,0,0,0,0|3,0,0]=4 7961 B13R0.336 COCCCCCCOCCCOC 34a_200012092642_100000740836 [0,1,0,0,0,0|3,0,0]=4 7962 B13R0.336 COCCCCCCOCCCOC 7a_200012092642_100000740836 [0,1,0,0,0,0|3,0,0]=4 7963 B13R0.336 COCCCCCCOCCCSC 34a_100000690336_100011998445 [0,1,0,0,0,0|3,0,0]=4 7964 B13R0.336 COCCCCCCOCCCSC 7a_100000690336_100011998445 [0,1,0,0,0,0|3,0,0]=4 7965 B13R0.336 COCCCCCCSCCCC#N 62a_100000687738_100011998445 [0,1,0,0,0,0|2,0,1]=4 7966 B13R0.336 COCCCCCCSCCCC#N 62a_100011998445_100000687738 [0,1,0,0,0,0|2,0,1]=4 7967 B13R0.336 COCCCCCCSCCCC=O 62a_100011998445_200011292268 [0,1,0,0,0,0|1,0,0]=2 7968 B13R0.336 COCCCCCCSCCCC=O 62a_200011292268_100011998445 [0,1,0,0,0,0|1,0,0]=2 7969 B13R0.336 COCCCCCCSCCCCF 62a_100000729493_100011998445 [0,1,0,0,0,0|2,0,1]=4 7970 B13R0.336 COCCCCCCSCCCCF 62a_100011998445_100000729493 [0,1,0,0,0,0|2,0,1]=4 7971 B13R0.336 COCCCCCCSCCCCO 62a_100000210776_100011998445 [0,1,0,0,0,0|1,0,2]=4 7972 B13R0.336 COCCCCCCSCCCCO 62a_100011998445_100000210776 [0,1,0,0,0,0|1,0,2]=4 7973 B13R0.336 COCCCCCCSCCCOC 62a_100000709357_100011998445 [0,1,0,0,0,0|3,0,0]=4 7974 B13R0.336 COCCCCCCSCCCOC 62a_100011998445_100000709357 [0,1,0,0,0,0|3,0,0]=4 7975 B13R0.336 COCCCCCNCCCCC#N 2230a_100000747528_100000211819 [0,1,0,0,0,0|2,0,1]=4 7976 B13R0.336 COCCCCCNCCCCC=O 2230a_100000747528_100000139335 [0,1,0,0,0,0|1,0,0]=2 7977 B13R0.336 COCCCCCNCCCCCF 2230a_100000747528_100000729378 [0,1,0,0,0,0|2,0,1]=4 7978 B13R0.336 COCCCCCNCCCCCF 34a_100000747528_100000729378 [0,1,0,0,0,0|2,0,1]=4 7979 B13R0.336 COCCCCCNCCCCCO 2230a_100000747528_100000746330 [0,1,0,0,0,0|1,0,2]=4 7980 B13R0.336 COCCCCCNCCCCCO 34a_100000747528_100000746330 [0,1,0,0,0,0|1,0,2]=4 7981 B13R0.336 COCCCCCNCCCCOC 2230a_100000747528_100000730899 [0,1,0,0,0,0|3,0,0]=4 7982 B13R0.336 COCCCCCNCCCCOC 34a_100000747528_100000755781 [0,1,0,0,0,0|3,0,0]=4 7983 B13R0.336 COCCCCNCCCCCCO 2230a_100000686447_100000730899 [0,1,0,0,0,0|1,0,2]=4 7984 B13R0.336 COCCCCNCCCCCCO 34a_100000686447_100000755781 [0,1,0,0,0,0|1,0,2]=4 7985 B13R0.336 COCCCCOCCCCCCBr 34a_100011215345_100000755781 [0,1,0,0,0,0|2,0,1]=4 7986 B13R0.336 COCCCCOCCCCCCBr 7a_100011215345_100000730899 [0,1,0,0,0,0|2,0,1]=4 7987 B13R0.336 COCCCCOCCCCCCCl 34a_100000766143_100000755781 [0,1,0,0,0,0|2,0,1]=4 7988 B13R0.336 COCCCCOCCCCCCCl 7a_100000766143_100000730899 [0,1,0,0,0,0|2,0,1]=4 7989 B13R0.336 COCCCCOCCCCCCF 34a_100000732779_100000755781 [0,1,0,0,0,0|2,0,1]=4 7990 B13R0.336 COCCCCOCCCCCCF 34a_100000740925_100015922095 [0,1,0,0,0,0|2,0,1]=4 7991 B13R0.336 COCCCCOCCCCCCF 7a_100000732779_100000730899 [0,1,0,0,0,0|2,0,1]=4 7992 B13R0.336 COCCCCOCCCCCCN 34a_100000686447_100000755781 [0,1,0,0,0,0|2,0,1]=4 7993 B13R0.336 COCCCCOCCCCCCO 34a_100000740925_100000766143 [0,1,0,0,0,0|1,0,2]=4 7994 B13R0.336 COCCCCSCCCCCC#N 62a_100000730899_100009813376 [0,1,0,0,0,0|2,0,1]=4 7995 B13R0.336 COCCCCSCCCCCC#N 62a_100009813376_100000730899 [0,1,0,0,0,0|2,0,1]=4 7996 B13R0.336 COCCCCSCCCCCC=O 62a_100000139337_100000730899 [0,1,0,0,0,0|1,0,0]=2 7997 B13R0.336 COCCCCSCCCCCC=O 62a_100000730899_100000139337 [0,1,0,0,0,0|1,0,0]=2 7998 B13R0.336 COCCCCSCCCCCCF 62a_100000730899_100015922095 [0,1,0,0,0,0|2,0,1]=4 7999 B13R0.336 COCCCCSCCCCCCF 62a_100015922095_100000730899 [0,1,0,0,0,0|2,0,1]=4 8000 B13R0.336 COCCCCSCCCCCCO 62a_100000730899_100000766143 [0,1,0,0,0,0|1,0,2]=4 8001 B13R0.336 COCCCCSCCCCCCO 62a_100000766143_100000730899 [0,1,0,0,0,0|1,0,2]=4 8002 B13R0.336 COCCCNCCCCCCCO 2230a_100011996573_100000740836 [0,1,0,0,0,0|1,0,2]=4 8003 B13R0.336 COCCCNCCCCCCCO 34a_100011996573_100000740836 [0,1,0,0,0,0|1,0,2]=4 8004 B13R0.336 COCCCNCCCCCCCO 34a_100150723488_100000760002 [0,1,0,0,0,0|1,0,2]=4 8005 B13R0.336 COCCCOCCCCCCCBr 34a_100000760002_100000740836 [0,1,0,0,0,0|2,0,1]=4 8006 B13R0.336 COCCCOCCCCCCCBr 7a_100000760002_100000740836 [0,1,0,0,0,0|2,0,1]=4 8007 B13R0.336 COCCCOCCCCCCCN 34a_100011996573_100000740836 [0,1,0,0,0,0|2,0,1]=4 8008 B13R0.336 COCCCOCCCCCCCO 34a_100000740835_100000760002 [0,1,0,0,0,0|1,0,2]=4 8009 B13R0.336 COCCCSCCCCCCC#N 62a_100000709357_100009813337 [0,1,0,0,0,0|2,0,1]=4 8010 B13R0.336 COCCCSCCCCCCC#N 62a_100009813337_100000709357 [0,1,0,0,0,0|2,0,1]=4 8011 B13R0.336 COCCCSCCCCCCCO 62a_100000709357_100000760002 [0,1,0,0,0,0|1,0,2]=4 8012 B13R0.336 COCCCSCCCCCCCO 62a_100000760002_100000709357 [0,1,0,0,0,0|1,0,2]=4 8013 B13R0.336 COCCNCCCCCCCCO 2230a_100000209980_100000033203 [0,1,0,0,0,0|1,0,2]=4 8014 B13R0.336 COCCNCCCCCCCCO 2230a_102515433106_100011201679 [0,1,0,0,0,0|1,0,2]=4 8015 B13R0.336 COCCNCCCCCCCCO 34a_102515433106_100011201679 [0,1,0,0,0,0|1,0,2]=4 8016 B13R0.336 COCCOCCCCCCCCBr 34a_100009813846_100011201679 [0,1,0,0,0,0|2,0,1]=4 8017 B13R0.336 COCCOCCCCCCCCBr 7a_100009813846_100000233755 [0,1,0,0,0,0|2,0,1]=4 8018 B13R0.336 COCCOCCCCCCCCCl 34a_100000033203_100011201679 [0,1,0,0,0,0|2,0,1]=4 8019 B13R0.336 COCCOCCCCCCCCCl 7a_100000033203_100000233755 [0,1,0,0,0,0|2,0,1]=4 8020 B13R0.336 COCCOCCCCCCCCN 34a_102515433106_100011201679 [0,1,0,0,0,0|2,0,1]=4 8021 B13R0.336 COCCOCCCCCCCCO 34a_100000210237_100000033203 [0,1,0,0,0,0|1,0,2]=4 8022 B13R0.336 COCCOCCCNCCCC=O 2230a_100000206027_200011292268 [0,1,0,0,0,0|2,0,0]=3 8023 B13R0.336 COCCOCCCSCCCC=O 62a_100011216529_200011292268 [0,1,0,0,0,0|2,0,0]=3 8024 B13R0.336 COCCOCCCSCCCC=O 62a_200011292268_100011216529 [0,1,0,0,0,0|2,0,0]=3 8025 B13R0.336 COCCOCCNCCCCC=O 2230a_100000745349_100000139335 [0,1,0,0,0,0|2,0,0]=3 8026 B13R0.336 COCCOCCOCCCCC=O 7a_100011215163_100000139335 [0,1,0,0,0,0|2,0,0]=3 8027 B13R0.336 COCCOCCOCCNCC=O 2230a_100012028300_200015260668 [0,1,0,0,0,0|3,0,0]=4 8028 B13R0.336 COCCOCCOCCNCC=O 34a_100012028300_200009817547 [0,1,0,0,0,0|3,0,0]=4 8029 B13R0.336 COCCOCCOCCOCC=O 34a_100000688194_200009817547 [0,1,0,0,0,0|3,0,0]=4 8030 B13R0.336 COCCOCCOCCOCC=O 7a_100000688194_200015260668 [0,1,0,0,0,0|3,0,0]=4 8031 B13R0.336 COCCOCCOCCSCC=O 62a_100013367474_200015260668 [0,1,0,0,0,0|3,0,0]=4 8032 B13R0.336 COCCOCCOCCSCC=O 62a_200015260668_100013367474 [0,1,0,0,0,0|3,0,0]=4 8033 B13R0.336 COCCOCCSCCCCC=O 62a_100000139335_100000695917 [0,1,0,0,0,0|2,0,0]=3 8034 B13R0.336 COCCOCCSCCCCC=O 62a_100000695917_100000139335 [0,1,0,0,0,0|2,0,0]=3 8035 B13R0.336 COCCOCSCCCCCC=O 62a_100000139337_100000231047 [0,1,0,0,0,0|2,0,0]=3 8036 B13R0.336 COCCOCSCCCCCC=O 62a_100000231047_100000139337 [0,1,0,0,0,0|2,0,0]=3 8037 B13R0.336 COCCSCCCCCCCCO 62a_100000033203_100000233755 [0,1,0,0,0,0|1,0,2]=4 8038 B13R0.336 COCCSCCCCCCCCO 62a_100000233755_100000033203 [0,1,0,0,0,0|1,0,2]=4 8039 B13R0.336 COCNCCCCCCCCCO 2230a_100000078944_100000766300 [0,1,0,0,0,0|1,0,2]=4 8040 B13R0.336 COCSCCCCCCCCCO 62a_100000766300_100009813782 [0,1,0,0,0,0|1,0,2]=4 8041 B13R0.336 COCSCCCCCCCCCO 62a_100009813782_100000766300 [0,1,0,0,0,0|1,0,2]=4 8042 B13R0.336 CSCCCCCCCCCCCO 62a_100009812471_200000210301 [0,1,0,0,0,0|0,0,2]=3 8043 B13R0.336 CSCCCCOCCCCCC#N 7a_100011217163_100009813376 [0,1,0,0,0,0|2,0,1]=4 8044 B13R0.336 CSCCCCOCCCCCC=O 7a_100011217163_100000139337 [0,1,0,0,0,0|1,0,0]=2 8045 B13R0.336 CSCCCCOCCCCCCF 34a_100011217163_100015922095 [0,1,0,0,0,0|2,0,1]=4 8046 B13R0.336 CSCCCCOCCCCCCF 7a_100011217163_100015922095 [0,1,0,0,0,0|2,0,1]=4 8047 B13R0.336 CSCCCCOCCCCCCO 34a_100011217163_100000766143 [0,1,0,0,0,0|1,0,2]=4 8048 B13R0.336 CSCCCCOCCCCCCO 7a_100011217163_100000766143 [0,1,0,0,0,0|1,0,2]=4 8049 B13R0.336 CSCCCNCCCCCCC#N 2230a_100000749238_100009813337 [0,1,0,0,0,0|2,0,1]=4 8050 B13R0.336 CSCCCNCCCCCCCO 2230a_100000749238_100000760002 [0,1,0,0,0,0|1,0,2]=4 8051 B13R0.336 CSCCCOCCCCCCC#N 7a_100000690336_100009813337 [0,1,0,0,0,0|2,0,1]=4 8052 B13R0.336 CSCCCOCCCCCCCO 34a_100000690336_100000760002 [0,1,0,0,0,0|1,0,2]=4 8053 B13R0.336 CSCCCOCCCCCCCO 7a_100000690336_100000760002 [0,1,0,0,0,0|1,0,2]=4 8054 B13R0.336 CSCCNCCCCCCCCO 2230a_100020590264_100000033203 [0,1,0,0,0,0|1,0,2]=4 8055 B13R0.336 CSCCNCCCCCCCCO 2230a_102515433106_100000751147 [0,1,0,0,0,0|1,0,2]=4 8056 B13R0.336 CSCCNCCCCCCCCO 34a_102515433106_100000212216 [0,1,0,0,0,0|1,0,2]=4 8057 B13R0.336 CSCCOCCCCCCCCBr 34a_100009813846_100000212216 [0,1,0,0,0,0|2,0,1]=4 8058 B13R0.336 CSCCOCCCCCCCCBr 7a_100009813846_100000212216 [0,1,0,0,0,0|2,0,1]=4 8059 B13R0.336 CSCCOCCCCCCCCCl 34a_100000033203_100000212216 [0,1,0,0,0,0|2,0,1]=4 8060 B13R0.336 CSCCOCCCCCCCCCl 7a_100000033203_100000212216 [0,1,0,0,0,0|2,0,1]=4 8061 B13R0.336 CSCCOCCCCCCCCN 34a_102515433106_100000212216 [0,1,0,0,0,0|2,0,1]=4 8062 B13R0.336 CSCCOCCCCCCCCO 34a_100000230434_100000033203 [0,1,0,0,0,0|1,0,2]=4 8063 B13R0.336 CSCCOCCCCCCCCO 7a_100000230434_100000033203 [0,1,0,0,0,0|1,0,2]=4 8064 B13R0.336 CSCCSCCCCCCCCO 62a_100000033203_100000751147 [0,1,0,0,0,0|1,0,2]=4 8065 B13R0.336 CSCCSCCCCCCCCO 62a_100000212216_100000033203 [0,1,0,0,0,0|1,0,2]=4 8066 B13R0.336 CSCNCCCCCCCCCO 2230a_100000078944_100011218213 [0,1,0,0,0,0|1,0,2]=4 8067 B13R0.336 CSCNCCCCCCCCCO 34a_100000078944_100011218213 [0,1,0,0,0,0|1,0,2]=4 8068 B13R0.336 CSCOCCCCCCCCCBr 34a_100009813782_100011218213 [0,1,0,0,0,0|2,0,1]=4 8069 B13R0.336 CSCOCCCCCCCCCCl 34a_100009868337_100011218213 [0,1,0,0,0,0|2,0,1]=4 8070 B13R0.336 CSCOCCCCCCCCCN 34a_100000078944_100011218213 [0,1,0,0,0,0|2,0,1]=4 8071 B13R0.336 CSCSCCCCCCCCCO 62a_100009813782_100011218213 [0,1,0,0,0,0|1,0,2]=4 8072 B13R0.336 CSCSCCCCCCCCCO 62a_100011218213_100009813782 [0,1,0,0,0,0|1,0,2]=4 8073 B13R0.336 FCCCCCCOCCCCCBr 34a_100000746331_100015922095 [0,1,0,0,0,0|2,0,1]=4 8074 B13R0.336 FCCCCCCOCCCCCBr 7a_100000746331_100015922095 [0,1,0,0,0,0|2,0,1]=4 8075 B13R0.336 FCCCCCCOCCCCCCl 34a_100000746330_100015922095 [0,1,0,0,0,0|2,0,1]=4 8076 B13R0.336 FCCCCCCOCCCCCCl 7a_100000746330_100015922095 [0,1,0,0,0,0|2,0,1]=4 8077 B13R0.336 FCCCCCCOCCCCCF 34a_100000732779_100000729378 [0,1,0,0,0,0|2,0,1]=4 8078 B13R0.336 FCCCCCCOCCCCCF 7a_100000732779_100000729378 [0,1,0,0,0,0|2,0,1]=4 8079 B13R0.336 FCCCCCCOCCCCCI 34a_200012148887_100015922095 [0,1,0,0,0,0|2,0,1]=4 8080 B13R0.336 FCCCCCCOCCCCCI 7a_200012148887_100015922095 [0,1,0,0,0,0|2,0,1]=4 8081 B13R0.336 FCCCCCCSCCCCCF 62a_100000729378_100015922095 [0,1,0,0,0,0|2,0,1]=4 8082 B13R0.336 FCCCCCCSCCCCCF 62a_100015922095_100000729378 [0,1,0,0,0,0|2,0,1]=4 8083 B13R0.336 FCCCCCOCCCCCCBr 34a_100011215345_100000729378 [0,1,0,0,0,0|2,0,1]=4 8084 B13R0.336 FCCCCCOCCCCCCBr 7a_100011215345_100000729378 [0,1,0,0,0,0|2,0,1]=4 8085 B13R0.336 FCCCCCOCCCCCCCl 34a_100000766143_100000729378 [0,1,0,0,0,0|2,0,1]=4 8086 B13R0.336 FCCCCCOCCCCCCCl 7a_100000766143_100000729378 [0,1,0,0,0,0|2,0,1]=4 8087 B13R0.336 FCCCCOCCCCCCCBr 34a_100000760002_100000729493 [0,1,0,0,0,0|2,0,1]=4 8088 B13R0.336 FCCCCOCCCCCCCBr 7a_100000760002_100000729493 [0,1,0,0,0,0|2,0,1]=4 8089 B13R0.336 FCCCOCCCCCCCCBr 34a_100009813846_100011934791 [0,1,0,0,0,0|2,0,1]=4 8090 B13R0.336 FCCCOCCCCCCCCBr 7a_100009813846_100011934791 [0,1,0,0,0,0|2,0,1]=4 8091 B13R0.336 FCCCOCCCCCCCCCl 34a_100000033203_100011934791 [0,1,0,0,0,0|2,0,1]=4 8092 B13R0.336 FCCCOCCCCCCCCCl 7a_100000033203_100011934791 [0,1,0,0,0,0|2,0,1]=4 8093 B13R0.336 FCCOCCCCCCCCCBr 34a_100009813782_100011217306 [0,1,0,0,0,0|2,0,1]=4 8094 B13R0.336 FCCOCCCCCCCCCBr 7a_100009813782_100011217306 [0,1,0,0,0,0|2,0,1]=4 8095 B13R0.336 FCCOCCCCCCCCCCl 34a_100009868337_100011217306 [0,1,0,0,0,0|2,0,1]=4 8096 B13R0.336 FCCOCCCCCCCCCCl 7a_100009868337_100011217306 [0,1,0,0,0,0|2,0,1]=4 8097 B13R0.336 FCOCCCCCCCCCCBr 34a_100009813290_100015361967 [0,1,0,0,0,0|2,0,1]=4 8098 B13R0.336 FCOCCCCCCCCCCBr 7a_100009813290_100015361967 [0,1,0,0,0,0|2,0,1]=4 8099 B13R0.336 FCOCCCCCCCCCCCl 34a_200000033068_100015361967 [0,1,0,0,0,0|2,0,1]=4 8100 B13R0.336 FCOCCCCCCCCCCCl 7a_200000033068_100015361967 [0,1,0,0,0,0|2,0,1]=4 8101 B13R0.336 N#CCCCCCCNCCCCO 2230a_100000750430_100009813337 [0,1,0,0,0,0|2,0,1]=4 8102 B13R0.336 N#CCCCCCCOCCCCCl 7a_100000210776_100009813337 [0,1,0,0,0,0|2,0,1]=4 8103 B13R0.336 N#CCCCCCCOCCCCF 7a_100011995726_100009813337 [0,1,0,0,0,0|2,0,1]=4 8104 B13R0.336 N#CCCCCCCSCCCC=O 62a_100009813337_200011292268 [0,1,0,0,0,0|1,0,1]=3 8105 B13R0.336 N#CCCCCCCSCCCC=O 62a_200011292268_100009813337 [0,1,0,0,0,0|1,0,1]=3 8106 B13R0.336 N#CCCCCCCSCCCCF 62a_100000729493_100009813337 [0,1,0,0,0,0|2,0,1]=4 8107 B13R0.336 N#CCCCCCCSCCCCF 62a_100009813337_100000729493 [0,1,0,0,0,0|2,0,1]=4 8108 B13R0.336 N#CCCCCCCSCCCCO 62a_100000210776_100009813337 [0,1,0,0,0,0|2,0,1]=4 8109 B13R0.336 N#CCCCCCCSCCCCO 62a_100009813337_100000210776 [0,1,0,0,0,0|2,0,1]=4 8110 B13R0.336 N#CCCCCCNCCCCCO 2230a_100000762737_100009813376 [0,1,0,0,0,0|2,0,1]=4 8111 B13R0.336 N#CCCCCCOCCCCCBr 7a_100000746331_100009813376 [0,1,0,0,0,0|2,0,1]=4 8112 B13R0.336 N#CCCCCCOCCCCCCl 7a_100000746330_100009813376 [0,1,0,0,0,0|2,0,1]=4 8113 B13R0.336 N#CCCCCCOCCCCCI 7a_200012148887_100009813376 [0,1,0,0,0,0|2,0,1]=4 8114 B13R0.336 N#CCCCCCSCCCCC=O 62a_100000139335_100009813376 [0,1,0,0,0,0|1,0,1]=3 8115 B13R0.336 N#CCCCCCSCCCCC=O 62a_100009813376_100000139335 [0,1,0,0,0,0|1,0,1]=3 8116 B13R0.336 N#CCCCCCSCCCCCF 62a_100000729378_100009813376 [0,1,0,0,0,0|2,0,1]=4 8117 B13R0.336 N#CCCCCCSCCCCCF 62a_100009813376_100000729378 [0,1,0,0,0,0|2,0,1]=4 8118 B13R0.336 N#CCCCCCSCCCCCO 62a_100000746330_100009813376 [0,1,0,0,0,0|2,0,1]=4 8119 B13R0.336 N#CCCCCCSCCCCCO 62a_100009813376_100000746330 [0,1,0,0,0,0|2,0,1]=4 8120 B13R0.336 N#CCCCCNCCCCCCO 2230a_100000686447_100000211819 [0,1,0,0,0,0|2,0,1]=4 8121 B13R0.336 N#CCCCCOCCCCCCBr 7a_100011215345_100000211819 [0,1,0,0,0,0|2,0,1]=4 8122 B13R0.336 N#CCCCCOCCCCCCCl 7a_100000766143_100000211819 [0,1,0,0,0,0|2,0,1]=4 8123 B13R0.336 N#CCCCCOCCCCCCF 7a_100000732779_100000211819 [0,1,0,0,0,0|2,0,1]=4 8124 B13R0.336 N#CCCCCSCCCCCC=O 62a_100000139337_100000211819 [0,1,0,0,0,0|1,0,1]=3 8125 B13R0.336 N#CCCCCSCCCCCC=O 62a_100011219923_100000139337 [0,1,0,0,0,0|1,0,1]=3 8126 B13R0.336 N#CCCCCSCCCCCCF 62a_100011219923_100015922095 [0,1,0,0,0,0|2,0,1]=4 8127 B13R0.336 N#CCCCCSCCCCCCF 62a_100015922095_100000211819 [0,1,0,0,0,0|2,0,1]=4 8128 B13R0.336 N#CCCCCSCCCCCCO 62a_100000766143_100000211819 [0,1,0,0,0,0|2,0,1]=4 8129 B13R0.336 N#CCCCCSCCCCCCO 62a_100011219923_100000766143 [0,1,0,0,0,0|2,0,1]=4 8130 B13R0.336 N#CCCCNCCCCCCCO 2230a_100011996573_100000687738 [0,1,0,0,0,0|2,0,1]=4 8131 B13R0.336 N#CCCCOCCCCCCCBr 7a_100000760002_100000687738 [0,1,0,0,0,0|2,0,1]=4 8132 B13R0.336 N#CCCCSCCCCCCCO 62a_100000687738_100000760002 [0,1,0,0,0,0|2,0,1]=4 8133 B13R0.336 N#CCCCSCCCCCCCO 62a_100000760002_100000687738 [0,1,0,0,0,0|2,0,1]=4 8134 B13R0.336 N#CCCNCCCCCCCCO 2230a_102515433106_100011215226 [0,1,0,0,0,0|2,0,1]=4 8135 B13R0.336 N#CCCOCCCCCCCCBr 7a_100009813846_100000184422 [0,1,0,0,0,0|2,0,1]=4 8136 B13R0.336 N#CCCOCCCCCCCCCl 7a_100000033203_100000184422 [0,1,0,0,0,0|2,0,1]=4 8137 B13R0.336 N#CCCSCCCCCCCCO 62a_100000033203_100011215226 [0,1,0,0,0,0|2,0,1]=4 8138 B13R0.336 N#CCCSCCCCCCCCO 62a_100011215226_100000033203 [0,1,0,0,0,0|2,0,1]=4 8139 B13R0.336 N#CCNCCCCCCCCCO 2230a_100000078944_100011215382 [0,1,0,0,0,0|2,0,1]=4 8140 B13R0.336 N#CCOCCCCCCCCCBr 7a_100009813782_100011215382 [0,1,0,0,0,0|2,0,1]=4 8141 B13R0.336 N#CCOCCCCCCCCCCl 7a_100009868337_100011215382 [0,1,0,0,0,0|2,0,1]=4 8142 B13R0.336 N#CCOCCSCCCCCC=O 62a_100000139337_200000047693 [0,1,0,0,0,0|2,0,1]=4 8143 B13R0.336 N#CCOCCSCCCCCC=O 62a_200000047693_100000139337 [0,1,0,0,0,0|2,0,1]=4 8144 B13R0.336 N#CCSCCCCCCCCCO 62a_100009813782_100011215382 [0,1,0,0,0,0|2,0,1]=4 8145 B13R0.336 N#CCSCCCCCCCCCO 62a_100011215382_100009813782 [0,1,0,0,0,0|2,0,1]=4 8146 B13R0.336 NCCCCCCCCCCOCF 34a_100000066964_100015361967 [0,1,0,0,0,0|2,0,1]=4 8147 B13R0.336 NCCCCCCCCCOCC=O 34a_100000078944_200009817547 [0,1,0,0,0,0|1,0,0]=2 8148 B13R0.336 NCCCCCCCCCOCCF 34a_100000078944_100011217306 [0,1,0,0,0,0|2,0,1]=4 8149 B13R0.336 NCCCCCCCCCOCCO 34a_100000078944_100000211926 [0,1,0,0,0,0|1,0,2]=4 8150 B13R0.336 NCCCCCCCCOCCCF 34a_102515433106_100011934791 [0,1,0,0,0,0|2,0,1]=4 8151 B13R0.336 NCCCCCCCCOCCCO 34a_102515433106_100000230001 [0,1,0,0,0,0|1,0,2]=4 8152 B13R0.336 NCCCCCCCOCCCCF 34a_100011996573_100000729493 [0,1,0,0,0,0|2,0,1]=4 8153 B13R0.336 NCCCCCCCOCCCCO 34a_100011996573_100011216708 [0,1,0,0,0,0|1,0,2]=4 8154 B13R0.336 NCCCCCCOCCCCCF 34a_100000686447_100000729378 [0,1,0,0,0,0|2,0,1]=4 8155 B13R0.336 NCCCCCCOCCCCCO 34a_100000686447_100000746330 [0,1,0,0,0,0|1,0,2]=4 8156 B13R0.336 NCCCCCOCCCCCCF 34a_100000762737_100015922095 [0,1,0,0,0,0|2,0,1]=4 8157 B13R0.336 NCCCCCOCCCCCCO 34a_100000762737_100000766143 [0,1,0,0,0,0|1,0,2]=4 8158 B13R0.336 NCCCCOCCCCCCCO 34a_100000750430_100000760002 [0,1,0,0,0,0|1,0,2]=4 8159 B13R0.336 NCCCOCCCCCCCCO 34a_100000182051_100000033203 [0,1,0,0,0,0|1,0,2]=4 8160 B13R0.336 NCCCOCCOCCOCC=O 34a_100011996194_200009817547 [0,1,0,0,0,0|3,0,0]=4 8161 B13R0.336 NCCOCCCCCCCCCO 34a_100000210304_100009813782 [0,1,0,0,0,0|1,0,2]=4 8162 B13R0.336 NOCCOCCCCCCCCO 34a_100000700252_100000033203 [0,1,0,0,0,0|3,0,0]=4 8163 B13R0.336 O=CCCCCCNCCCCCO 2230a_100000762737_100000139337 [0,1,0,0,0,0|1,0,0]=2 8164 B13R0.336 O=CCCCCCNCCOCCO 2230a_100000211614_100000139337 [0,1,0,0,0,0|2,0,0]=3 8165 B13R0.336 O=CCCCCCNCCSCCO 2230a_100011219999_100000139337 [0,1,0,0,0,0|2,0,0]=3 8166 B13R0.336 O=CCCCCCOCCCCCBr 7a_100000746331_100000139337 [0,1,0,0,0,0|1,0,0]=2 8167 B13R0.336 O=CCCCCCOCCCCCCl 7a_100000746330_100000139337 [0,1,0,0,0,0|1,0,0]=2 8168 B13R0.336 O=CCCCCCOCCCCCI 7a_200012148887_100000139337 [0,1,0,0,0,0|1,0,0]=2 8169 B13R0.336 O=CCCCCCOCCOCCBr 7a_100000692535_100000139337 [0,1,0,0,0,0|2,0,0]=3 8170 B13R0.336 O=CCCCCCOCCOCCCl 7a_100011215305_100000139337 [0,1,0,0,0,0|2,0,0]=3 8171 B13R0.336 O=CCCCCCOCCOCCF 7a_200015357709_100000139337 [0,1,0,0,0,0|2,0,0]=3 8172 B13R0.336 O=CCCCCCOCCOCCI 7a_100012149058_100000139337 [0,1,0,0,0,0|2,0,0]=3 8173 B13R0.336 O=CCCCCCSCCCCC=O 62a_100000139335_100000139337 [0,1,0,0,0,0|1,0,1]=3 8174 B13R0.336 O=CCCCCCSCCCCC=O 62a_100000139337_100000139335 [0,1,0,0,0,0|1,0,1]=3 8175 B13R0.336 O=CCCCCCSCCCCCF 62a_100000139337_100000729378 [0,1,0,0,0,0|1,0,0]=2 8176 B13R0.336 O=CCCCCCSCCCCCF 62a_100000729378_100000139337 [0,1,0,0,0,0|1,0,0]=2 8177 B13R0.336 O=CCCCCCSCCCCCO 62a_100000139337_100000746330 [0,1,0,0,0,0|1,0,0]=2 8178 B13R0.336 O=CCCCCCSCCCCCO 62a_100000746330_100000139337 [0,1,0,0,0,0|1,0,0]=2 8179 B13R0.336 O=CCCCCCSCCOCCO 62a_100000139337_100011215305 [0,1,0,0,0,0|2,0,0]=3 8180 B13R0.336 O=CCCCCCSCCOCCO 62a_100011215305_100000139337 [0,1,0,0,0,0|2,0,0]=3 8181 B13R0.336 O=CCCCCNCCCCCCO 2230a_100000686447_100000139335 [0,1,0,0,0,0|1,0,0]=2 8182 B13R0.336 O=CCCCCOCCCCCCBr 7a_100011215345_100000139335 [0,1,0,0,0,0|1,0,0]=2 8183 B13R0.336 O=CCCCCOCCCCCCCl 7a_100000766143_100000139335 [0,1,0,0,0,0|1,0,0]=2 8184 B13R0.336 O=CCCCCOCCCCCCF 7a_100000732779_100000139335 [0,1,0,0,0,0|1,0,0]=2 8185 B13R0.336 O=CCCCCSCCCCCCF 62a_100000139335_100015922095 [0,1,0,0,0,0|1,0,0]=2 8186 B13R0.336 O=CCCCCSCCCCCCF 62a_100015922095_100000139335 [0,1,0,0,0,0|1,0,0]=2 8187 B13R0.336 O=CCCCCSCCCCCCO 62a_100000139335_100000766143 [0,1,0,0,0,0|1,0,0]=2 8188 B13R0.336 O=CCCCCSCCCCCCO 62a_100000766143_100000139335 [0,1,0,0,0,0|1,0,0]=2 8189 B13R0.336 O=CCCCNCCCCCCCO 2230a_100011996573_200011292268 [0,1,0,0,0,0|1,0,0]=2 8190 B13R0.336 O=CCCCNCCCOCCCO 2230a_100011310245_200011292268 [0,1,0,0,0,0|2,0,0]=3 8191 B13R0.336 O=CCCCOCCCCCCCBr 7a_100000760002_200011292268 [0,1,0,0,0,0|1,0,0]=2 8192 B13R0.336 O=CCCCSCCCCCCCO 62a_100000760002_200011292268 [0,1,0,0,0,0|1,0,0]=2 8193 B13R0.336 O=CCCCSCCCCCCCO 62a_200011292268_100000760002 [0,1,0,0,0,0|1,0,0]=2 8194 B13R0.336 O=CCNCCCCCCCCCO 2230a_100000078944_200015260668 [0,1,0,0,0,0|1,0,0]=2 8195 B13R0.336 O=CCNCCCCCCCCCO 34a_100000078944_200009817547 [0,1,0,0,0,0|1,0,0]=2 8196 B13R0.336 O=CCNCCCOCCOCCO 2230a_100011996194_200015260668 [0,1,0,0,0,0|3,0,0]=4 8197 B13R0.336 O=CCNCCCOCCOCCO 34a_100011996194_200009817547 [0,1,0,0,0,0|3,0,0]=4 8198 B13R0.336 O=CCOCCCCCCCCCBr 34a_100009813782_200009817547 [0,1,0,0,0,0|1,0,0]=2 8199 B13R0.336 O=CCOCCCCCCCCCBr 7a_100009813782_200015260668 [0,1,0,0,0,0|1,0,0]=2 8200 B13R0.336 O=CCOCCCCCCCCCCl 34a_100009868337_200009817547 [0,1,0,0,0,0|1,0,0]=2 8201 B13R0.336 O=CCOCCCCCCCCCCl 7a_100009868337_200015260668 [0,1,0,0,0,0|1,0,0]=2 8202 B13R0.336 O=CCSCCCCCCCCCO 62a_100009813782_200015260668 [0,1,0,0,0,0|1,0,0]=2 8203 B13R0.336 O=CCSCCCCCCCCCO 62a_200015260668_100009813782 [0,1,0,0,0,0|1,0,0]=2 8204 B13R0.336 OCCCCCCCCCCNCF 34a_100000066964_100015361967 [0,1,0,0,0,0|1,0,2]=4 8205 B13R0.336 OCCCCCCCCCCSCF 62a_100009813290_100015361967 [0,1,0,0,0,0|1,0,2]=4 8206 B13R0.336 OCCCCCCCCCCSCF 62a_100015361967_200000033068 [0,1,0,0,0,0|1,0,2]=4 8207 B13R0.336 OCCCCCCCCCNCCF 2230a_100000078944_100011217306 [0,1,0,0,0,0|1,0,2]=4 8208 B13R0.336 OCCCCCCCCCNCCF 34a_100000078944_100011217306 [0,1,0,0,0,0|1,0,2]=4 8209 B13R0.336 OCCCCCCCCCNCCF 34a_100000724931_100009813782 [0,1,0,0,0,0|1,0,2]=4 8210 B13R0.336 OCCCCCCCCCNCCO 2230a_100000078944_100000211926 [0,1,0,0,0,0|1,0,2]=4 8211 B13R0.336 OCCCCCCCCCNCCO 2230a_100016997473_100009813782 [0,1,0,0,0,0|1,0,2]=4 8212 B13R0.336 OCCCCCCCCCNCCO 34a_100000078944_100000211926 [0,1,0,0,0,0|1,0,2]=4 8213 B13R0.336 OCCCCCCCCCNCCO 34a_100016990907_100009813782 [0,1,0,0,0,0|1,0,2]=4 8214 B13R0.336 OCCCCCCCCCOCCBr 34a_100000211926_100009813782 [0,1,0,0,0,0|1,0,2]=4 8215 B13R0.336 OCCCCCCCCCSCCF 62a_100009813782_100011217306 [0,1,0,0,0,0|1,0,2]=4 8216 B13R0.336 OCCCCCCCCCSCCF 62a_100011217306_100009813782 [0,1,0,0,0,0|1,0,2]=4 8217 B13R0.336 OCCCCCCCCCSCCO 62a_100000211926_100009813782 [0,1,0,0,0,0|1,0,2]=4 8218 B13R0.336 OCCCCCCCCCSCCO 62a_100009813782_100000211926 [0,1,0,0,0,0|1,0,2]=4 8219 B13R0.336 OCCCCCCCCNCCCF 2230a_100015189416_100000033203 [0,1,0,0,0,0|1,0,2]=4 8220 B13R0.336 OCCCCCCCCNCCCF 2230a_102515433106_100011934791 [0,1,0,0,0,0|1,0,2]=4 8221 B13R0.336 OCCCCCCCCNCCCF 34a_100015189416_100000033203 [0,1,0,0,0,0|1,0,2]=4 8222 B13R0.336 OCCCCCCCCNCCCF 34a_102515433106_100011934791 [0,1,0,0,0,0|1,0,2]=4 8223 B13R0.336 OCCCCCCCCNCCCO 2230a_102515433106_100000230001 [0,1,0,0,0,0|1,0,2]=4 8224 B13R0.336 OCCCCCCCCNCCCO 34a_102515433106_100000230001 [0,1,0,0,0,0|1,0,2]=4 8225 B13R0.336 OCCCCCCCCOCCCBr 34a_100011217188_100000033203 [0,1,0,0,0,0|1,0,2]=4 8226 B13R0.336 OCCCCCCCCOCCCCl 34a_100000230001_100000033203 [0,1,0,0,0,0|1,0,2]=4 8227 B13R0.336 OCCCCCCCCOCCCF 34a_100000759539_100000033203 [0,1,0,0,0,0|1,0,2]=4 8228 B13R0.336 OCCCCCCCCSCCCF 62a_100000033203_100011934791 [0,1,0,0,0,0|1,0,2]=4 8229 B13R0.336 OCCCCCCCCSCCCF 62a_100011934791_100000033203 [0,1,0,0,0,0|1,0,2]=4 8230 B13R0.336 OCCCCCCCCSCCCO 62a_100000033203_100011215043 [0,1,0,0,0,0|1,0,2]=4 8231 B13R0.336 OCCCCCCCCSCCCO 62a_100011215043_100000033203 [0,1,0,0,0,0|1,0,2]=4 8232 B13R0.336 OCCCCCCCNCCCCF 2230a_100011996573_100000729493 [0,1,0,0,0,0|1,0,2]=4 8233 B13R0.336 OCCCCCCCNCCCCF 34a_100011996573_100000729493 [0,1,0,0,0,0|1,0,2]=4 8234 B13R0.336 OCCCCCCCNCCCCO 2230a_100000750430_100000760002 [0,1,0,0,0,0|1,0,2]=4 8235 B13R0.336 OCCCCCCCNCCCCO 2230a_100011996573_100000210776 [0,1,0,0,0,0|1,0,2]=4 8236 B13R0.336 OCCCCCCCNCCCCO 34a_100000750430_100000760002 [0,1,0,0,0,0|1,0,2]=4 8237 B13R0.336 OCCCCCCCNCCCCO 34a_100011996573_100011216708 [0,1,0,0,0,0|1,0,2]=4 8238 B13R0.336 OCCCCCCCOCCCCBr 34a_100011216708_100000760002 [0,1,0,0,0,0|1,0,2]=4 8239 B13R0.336 OCCCCCCCOCCCCCl 34a_100000210776_100000760002 [0,1,0,0,0,0|1,0,2]=4 8240 B13R0.336 OCCCCCCCOCCCCCl 7a_100000210776_100000760002 [0,1,0,0,0,0|1,0,2]=4 8241 B13R0.336 OCCCCCCCOCCCCF 34a_100011995726_100000760002 [0,1,0,0,0,0|1,0,2]=4 8242 B13R0.336 OCCCCCCCOCCCCF 7a_100011995726_100000760002 [0,1,0,0,0,0|1,0,2]=4 8243 B13R0.336 OCCCCCCCOCCCCI 34a_200012148704_100000760002 [0,1,0,0,0,0|1,0,2]=4 8244 B13R0.336 OCCCCCCCSCCCCF 62a_100000729493_100000760002 [0,1,0,0,0,0|1,0,2]=4 8245 B13R0.336 OCCCCCCCSCCCCF 62a_100000760002_100000729493 [0,1,0,0,0,0|1,0,2]=4 8246 B13R0.336 OCCCCCCCSCCCCO 62a_100000210776_100000760002 [0,1,0,0,0,0|1,0,2]=4 8247 B13R0.336 OCCCCCCCSCCCCO 62a_100000760002_100000210776 [0,1,0,0,0,0|1,0,2]=4 8248 B13R0.336 OCCCCCCNCCCCCF 2230a_100000686447_100000729378 [0,1,0,0,0,0|1,0,2]=4 8249 B13R0.336 OCCCCCCNCCCCCF 34a_100000686447_100000729378 [0,1,0,0,0,0|1,0,2]=4 8250 B13R0.336 OCCCCCCNCCCCCO 2230a_100000686447_100000746330 [0,1,0,0,0,0|1,0,2]=4 8251 B13R0.336 OCCCCCCNCCCCCO 2230a_100000762737_100000766143 [0,1,0,0,0,0|1,0,2]=4 8252 B13R0.336 OCCCCCCNCCCCCO 34a_100000686447_100000746330 [0,1,0,0,0,0|1,0,2]=4 8253 B13R0.336 OCCCCCCNCCCCCO 34a_100000762737_100000766143 [0,1,0,0,0,0|1,0,2]=4 8254 B13R0.336 OCCCCCCOCCCCCBr 34a_100000746331_100000766143 [0,1,0,0,0,0|1,0,2]=4 8255 B13R0.336 OCCCCCCOCCCCCBr 7a_100000746331_100000766143 [0,1,0,0,0,0|1,0,2]=4 8256 B13R0.336 OCCCCCCOCCCCCCl 34a_100000746330_100000766143 [0,1,0,0,0,0|1,0,2]=4 8257 B13R0.336 OCCCCCCOCCCCCCl 7a_100000746330_100000766143 [0,1,0,0,0,0|1,0,2]=4 8258 B13R0.336 OCCCCCCOCCCCCI 34a_200012148887_100000766143 [0,1,0,0,0,0|1,0,2]=4 8259 B13R0.336 OCCCCCCOCCCCCI 7a_200012148887_100000766143 [0,1,0,0,0,0|1,0,2]=4 8260 B13R0.336 OCCCCCCSCCCCCF 62a_100000729378_100000766143 [0,1,0,0,0,0|1,0,2]=4 8261 B13R0.336 OCCCCCCSCCCCCF 62a_100000766143_100000729378 [0,1,0,0,0,0|1,0,2]=4 8262 B13R0.336 OCCCCCCSCCCCCO 62a_100000746330_100000766143 [0,1,0,0,0,0|1,0,2]=4 8263 B13R0.336 OCCCCCCSCCCCCO 62a_100000766143_100000746330 [0,1,0,0,0,0|1,0,2]=4 8264 B13R0.336 OCCCCCNCCCCCCF 2230a_100000762737_100015922095 [0,1,0,0,0,0|1,0,2]=4 8265 B13R0.336 OCCCCCNCCCCCCF 34a_100000762737_100015922095 [0,1,0,0,0,0|1,0,2]=4 8266 B13R0.336 OCCCCCOCCCCCCBr 34a_100011215345_100000746330 [0,1,0,0,0,0|1,0,2]=4 8267 B13R0.336 OCCCCCOCCCCCCBr 7a_100011215345_100000746330 [0,1,0,0,0,0|1,0,2]=4 8268 B13R0.336 OCCCCCOCCCCCCCl 34a_100000766143_100000746330 [0,1,0,0,0,0|1,0,2]=4 8269 B13R0.336 OCCCCCOCCCCCCCl 7a_100000766143_100000746330 [0,1,0,0,0,0|1,0,2]=4 8270 B13R0.336 OCCCCCOCCCCCCF 34a_100000732779_100000746330 [0,1,0,0,0,0|1,0,2]=4 8271 B13R0.336 OCCCCCOCCCCCCF 7a_100000732779_100000746330 [0,1,0,0,0,0|1,0,2]=4 8272 B13R0.336 OCCCCCSCCCCCCF 62a_100000746330_100015922095 [0,1,0,0,0,0|1,0,2]=4 8273 B13R0.336 OCCCCCSCCCCCCF 62a_100015922095_100000746330 [0,1,0,0,0,0|1,0,2]=4 8274 B13R0.336 OCCCCOCCCCCCCBr 34a_100000760002_100011216708 [0,1,0,0,0,0|1,0,2]=4 8275 B13R0.336 OCCCCOCCCCCCCBr 7a_100000760002_100000210776 [0,1,0,0,0,0|1,0,2]=4 8276 B13R0.336 OCCCOCCCCCCCCBr 34a_100009813846_100000230001 [0,1,0,0,0,0|1,0,2]=4 8277 B13R0.336 OCCCOCCCCCCCCBr 7a_100009813846_100011215043 [0,1,0,0,0,0|1,0,2]=4 8278 B13R0.336 OCCCOCCCCCCCCCl 34a_100000033203_100000230001 [0,1,0,0,0,0|1,0,2]=4 8279 B13R0.336 OCCCOCCCCCCCCCl 7a_100000033203_100011215043 [0,1,0,0,0,0|1,0,2]=4 8280 B13R0.336 OCCOCCCCCCCCCBr 34a_100009813782_100000211926 [0,1,0,0,0,0|1,0,2]=4 8281 B13R0.336 OCCOCCCCCCCCCBr 7a_100009813782_100000211926 [0,1,0,0,0,0|1,0,2]=4 8282 B13R0.336 OCCOCCCCCCCCCCl 34a_100009868337_100000211926 [0,1,0,0,0,0|1,0,2]=4 8283 B13R0.336 OCCOCCCCCCCCCCl 7a_100009868337_100000211926 [0,1,0,0,0,0|1,0,2]=4 8284 B13R0.336 [13CH3]OCCCCCCCCCCCBr 34a_100009812471_200025704644 [0,1,0,0,0,0|1,0,1]=3 8285 B13R0.336 [13CH3]OCCCCCCCCCCCBr 7a_100009812471_200025704644 [0,1,0,0,0,0|1,0,1]=3 8286 B13R0.336 [13CH3]SCCCCCCCCCCCO 62a_100009812471_200025704644 [0,1,0,0,0,0|0,0,2]=3 8287 B13R0.336 [N-]=[N+]=NCCCCNCCCCC=O 2230a_100000101370_100000139335 [0,1,0,0,0,0|3,0,0]=4 8288 B13R0.336 [N-]=[N+]=NCCCNCCCCCC=O 2230a_100000744732_100000139337 [0,1,0,0,0,0|3,0,0]=4 8289 B13R0.338 C#CCCCC(=O)CCCCCCC 1458a_100000211969_100000731252 [0,1,0,0,0,0|1,0,2]=4 8290 B13R0.338 C#CCCCC(=O)CCCCCCC 1458a_100000690238_100000210614 [0,1,0,0,0,0|1,0,2]=4 8291 B13R0.338 C#CCCCCCC(=O)CCCCC 1458a_100000212188_100012094781 [0,1,0,0,0,0|1,0,2]=4 8292 B13R0.338 C#CCCCCCC(=O)CCCCC 1458a_100000694772_100000210326 [0,1,0,0,0,0|1,0,2]=4 8293 B13R0.338 C#CCCCCCN(C)CCCCC 2230a_100000223495_100012094781 [0,1,0,0,0,0|2,0,1]=4 8294 B13R0.338 C#CCCCCCN(C)CCCCC 269982a_100000223495_100012094781 [0,1,0,0,0,0|2,0,1]=4 8295 B13R0.338 C#CCCCCNC(C)CCCCC 2230a_100000211957_100010269958 [0,1,0,0,0,0|2,0,1]=4 8296 B13R0.338 C#CCCCCNC(C)CCCCC 2230a_100000706060_200011218191 [0,1,0,0,0,0|2,0,1]=4 8297 B13R0.338 C#CCCCCNC(C)CCCCC 34a_100000706060_200011218191 [0,1,0,0,0,0|2,0,1]=4 8298 B13R0.338 C#CCCCCOC(C)CCCCC 34a_100000766709_200011218191 [0,1,0,0,0,0|2,0,1]=4 8299 B13R0.338 C#CCCCCOC(C)CCCCC 34a_100011215632_100010269958 [0,1,0,0,0,0|2,0,1]=4 8300 B13R0.338 C#CCCCCOC(C)CCCCC 7a_100000766709_200011218191 [0,1,0,0,0,0|2,0,1]=4 8301 B13R0.338 C#CCCCCOC(C)CCCCC 7a_100011215632_100010269958 [0,1,0,0,0,0|2,0,1]=4 8302 B13R0.338 C#CCCCCSC(C)CCCCC 62a_100010269958_200011218191 [0,1,0,0,0,0|2,0,1]=4 8303 B13R0.338 C#CCCCCSC(C)CCCCC 62a_200011218191_100010269958 [0,1,0,0,0,0|2,0,1]=4 8304 B13R0.338 C#CCCCN(C)CCCCCCC 2230a_100000228206_100000731252 [0,1,0,0,0,0|2,0,1]=4 8305 B13R0.338 C#CCCCN(C)CCCCCCC 269982a_100000228206_100011215417 [0,1,0,0,0,0|2,0,1]=4 8306 B13R0.338 C#CCCNC(C)CCCCCCC 34a_100000755551_200011218727 [0,1,0,0,0,0|2,0,1]=4 8307 B13R0.338 C#CCCOC(C)CCCCCCC 34a_100011215631_200011218727 [0,1,0,0,0,0|2,0,1]=4 8308 B13R0.338 C#CCCOC(C)CCCCCCC 34a_200011215852_100000688953 [0,1,0,0,0,0|2,0,1]=4 8309 B13R0.338 C#CCCOC(C)CCCCCCC 7a_200011215852_100000688953 [0,1,0,0,0,0|2,0,1]=4 8310 B13R0.338 C#CCCSC(C)CCCCCCC 62a_100000688953_200011218727 [0,1,0,0,0,0|2,0,1]=4 8311 B13R0.338 C#CCCSC(C)CCCCCCC 62a_200011218727_100000688953 [0,1,0,0,0,0|2,0,1]=4 8312 B13R0.338 C/C=C/COC(C)CCCCCCC 34a_100016270725_200011218727 [0,1,0,0,0,0|2,0,1]=4 8313 B13R0.338 C/C=C/COC(C)CCCCCCC 34a_200011215852_100102629194 [0,1,0,0,0,0|2,0,1]=4 8314 B13R0.338 C/C=C/COC(C)CCCCCCC 7a_200011215852_100102629194 [0,1,0,0,0,0|2,0,1]=4 8315 B13R0.338 C/C=C/CSC(C)CCCCCCC 62a_100102629194_200011218727 [0,1,0,0,0,0|2,0,1]=4 8316 B13R0.338 C/C=C/CSC(C)CCCCCCC 62a_200011218727_100102629194 [0,1,0,0,0,0|2,0,1]=4 8317 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000211969_100000757094 [0,1,0,0,0,0|1,0,1]=3 8318 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000766728_100000210614 [0,1,0,0,0,0|1,0,1]=3 8319 B13R0.338 C=CCCCC(=O)CCCCCCF 1458a_100000766728_100015922095 [0,1,0,0,0,0|2,0,1]=4 8320 B13R0.338 C=CCCCC(=O)CCCCCCO 1458a_100000766728_100000766143 [0,1,0,0,0,0|2,0,1]=4 8321 B13R0.338 C=CCCCC(=O)CCCCCCO 1458a_100011996774_100000757094 [0,1,0,0,0,0|2,0,1]=4 8322 B13R0.338 C=CCCCC(=O)CCCCCOC 1458a_100011935119_100000757094 [0,1,0,0,0,0|2,0,1]=4 8323 B13R0.338 C=CCCCC(=O)CCOCCCC 1458a_100000766728_100000743108 [0,1,0,0,0,0|2,0,1]=4 8324 B13R0.338 C=CCCCC(=O)NCCCCCC 11a_100000210581_100000766728 [0,1,0,0,0,0|2,0,1]=4 8325 B13R0.338 C=CCCCC(=O)NCCCCCC 1626a_100000210581_100000766728 [0,1,0,0,0,0|2,0,1]=4 8326 B13R0.338 C=CCCCC(=O)NCCCCCC 240690a_100000210581_100000766728 [0,1,0,0,0,0|2,0,1]=4 8327 B13R0.338 C=CCCCC(=O)NCCCCCC 527a_100000210581_100000766728 [0,1,0,0,0,0|2,0,1]=4 8328 B13R0.338 C=CCCCCCC(=O)CCCCC 1458a_100000212188_100000700193 [0,1,0,0,0,0|1,0,1]=3 8329 B13R0.338 C=CCCCCCC(=O)CCCCC 1458a_100011934241_100000210326 [0,1,0,0,0,0|1,0,1]=3 8330 B13R0.338 C=CCCCCCC(=O)CCCCF 1458a_100011934241_100000729493 [0,1,0,0,0,0|2,0,1]=4 8331 B13R0.338 C=CCCCCCC(=O)CCCCO 1458a_100000695505_100000700193 [0,1,0,0,0,0|2,0,1]=4 8332 B13R0.338 C=CCCCCCC(=O)CCCCO 1458a_100011934241_100000210776 [0,1,0,0,0,0|2,0,1]=4 8333 B13R0.338 C=CCCCCCC(=O)CCCOC 1458a_100000741012_100000700193 [0,1,0,0,0,0|2,0,1]=4 8334 B13R0.338 C=CCCCCCC(=O)CCCOC 1458a_100011934241_100000740836 [0,1,0,0,0,0|2,0,1]=4 8335 B13R0.338 C=CCCCCCC(=O)CCCSC 1458a_100000173376_100000700193 [0,1,0,0,0,0|2,0,1]=4 8336 B13R0.338 C=CCCCCCC(=O)CCOCC 1458a_100000749530_100000700193 [0,1,0,0,0,0|2,0,1]=4 8337 B13R0.338 C=CCCCCCC(=O)CCOCC 1458a_100011934241_100011215890 [0,1,0,0,0,0|2,0,1]=4 8338 B13R0.338 C=CCCCCCC(=O)CCSCC 1458a_100000230768_100000700193 [0,1,0,0,0,0|2,0,1]=4 8339 B13R0.338 C=CCCCCCC(=O)CCSCC 1458a_100011934241_100000757381 [0,1,0,0,0,0|2,0,1]=4 8340 B13R0.338 C=CCCCCCC(=O)COCCC 1458a_100000745993_100000700193 [0,1,0,0,0,0|2,0,1]=4 8341 B13R0.338 C=CCCCCCC(=O)CSCCC 1458a_100000217233_100000700193 [0,1,0,0,0,0|2,0,1]=4 8342 B13R0.338 C=CCCCCCC(=O)NCCCC 11a_100000102301_100011934241 [0,1,0,0,0,0|2,0,1]=4 8343 B13R0.338 C=CCCCCCC(=O)NCCCC 1626a_100000102301_100011934241 [0,1,0,0,0,0|2,0,1]=4 8344 B13R0.338 C=CCCCCCC(=O)NCCCC 240690a_100000102301_100011934241 [0,1,0,0,0,0|2,0,1]=4 8345 B13R0.338 C=CCCCCCC(=O)NCCCC 527a_100000102301_100011934241 [0,1,0,0,0,0|2,0,1]=4 8346 B13R0.338 C=CCCCCCN(C)CCCCC 2230a_100000223495_100000700193 [0,1,0,0,0,0|2,0,0]=3 8347 B13R0.338 C=CCCCCCN(C)CCCCC 269982a_100000223495_100000700193 [0,1,0,0,0,0|2,0,0]=3 8348 B13R0.338 C=CCCCCCN(C)CCCCO 2230a_100000717598_100000700193 [0,1,0,0,0,0|3,0,0]=4 8349 B13R0.338 C=CCCCCCN(C)CCCCO 269982a_100000717598_100000700193 [0,1,0,0,0,0|3,0,0]=4 8350 B13R0.338 C=CCCCCCN(C)CCCOC 2230a_100000224831_100000700193 [0,1,0,0,0,0|3,0,0]=4 8351 B13R0.338 C=CCCCCCN(C)CCCOC 269982a_100000224831_100000700193 [0,1,0,0,0,0|3,0,0]=4 8352 B13R0.338 C=CCCCCNC(=O)CCCCC 11a_100000703577_100000212188 [0,1,0,0,0,0|2,0,1]=4 8353 B13R0.338 C=CCCCCNC(=O)CCCCC 1626a_100000703577_100000212188 [0,1,0,0,0,0|2,0,1]=4 8354 B13R0.338 C=CCCCCNC(=O)CCCCC 240690a_100000703577_100000212188 [0,1,0,0,0,0|2,0,1]=4 8355 B13R0.338 C=CCCCCNC(=O)CCCCC 527a_100000703577_100000212188 [0,1,0,0,0,0|2,0,1]=4 8356 B13R0.338 C=CCCCCNC(C)CCCCC 2230a_100000211957_100011215482 [0,1,0,0,0,0|2,0,0]=3 8357 B13R0.338 C=CCCCCNC(C)CCCCC 2230a_100000703577_200011218191 [0,1,0,0,0,0|2,0,0]=3 8358 B13R0.338 C=CCCCCNC(C)CCCCC 270004a_100000703577_100000211708 [0,1,0,0,0,0|2,0,0]=3 8359 B13R0.338 C=CCCCCNC(C)CCCCC 34a_100000703577_200011218191 [0,1,0,0,0,0|2,0,0]=3 8360 B13R0.338 C=CCCCCNC(C)CCCSC 270004a_100000703577_100011399439 [0,1,0,0,0,0|3,0,0]=4 8361 B13R0.338 C=CCCCCNC(C)CCOCC 270004a_100000703577_200011216536 [0,1,0,0,0,0|3,0,0]=4 8362 B13R0.338 C=CCCCCNC(C)CSCCC 270004a_100000703577_100011343953 [0,1,0,0,0,0|3,0,0]=4 8363 B13R0.338 C=CCCCCOC(C)CCCCC 34a_100000766645_200011218191 [0,1,0,0,0,0|2,0,0]=3 8364 B13R0.338 C=CCCCCOC(C)CCCCC 34a_100011215632_100011215482 [0,1,0,0,0,0|2,0,0]=3 8365 B13R0.338 C=CCCCCOC(C)CCCCC 7a_100000766645_200011218191 [0,1,0,0,0,0|2,0,0]=3 8366 B13R0.338 C=CCCCCOC(C)CCCCC 7a_100011215632_100011215482 [0,1,0,0,0,0|2,0,0]=3 8367 B13R0.338 C=CCCCCOC(C)CCCOC 34a_200011539412_100011215482 [0,1,0,0,0,0|3,0,0]=4 8368 B13R0.338 C=CCCCCOC(C)CCCOC 7a_200011539412_100011215482 [0,1,0,0,0,0|3,0,0]=4 8369 B13R0.338 C=CCCCCSC(C)CCCCC 62a_100011215482_200011218191 [0,1,0,0,0,0|2,0,0]=3 8370 B13R0.338 C=CCCCCSC(C)CCCCC 62a_200011218191_100011215482 [0,1,0,0,0,0|2,0,0]=3 8371 B13R0.338 C=CCCCN(C)CCCCCCC 2230a_100000228206_100011713584 [0,1,0,0,0,0|2,0,0]=3 8372 B13R0.338 C=CCCCN(C)CCCCCCC 269982a_100000228206_100000757094 [0,1,0,0,0,0|2,0,0]=3 8373 B13R0.338 C=CCCCNCC(=O)CCCCC 2230a_100000700776_200012276598 [0,1,0,0,0,0|2,0,1]=4 8374 B13R0.338 C=CCCCNCC(=O)CCCCC 34a_100000700776_200012276598 [0,1,0,0,0,0|2,0,1]=4 8375 B13R0.338 C=CCCCOCC(=O)CCCCC 34a_100000758997_200012276598 [0,1,0,0,0,0|2,0,1]=4 8376 B13R0.338 C=CCCCOCC(=O)CCCCC 7a_100000758997_200012276598 [0,1,0,0,0,0|2,0,1]=4 8377 B13R0.338 C=CCCCOC[C@@H](N)CCCCN 34a_100016993712_100000757094 [0,1,0,0,0,0|3,0,0]=4 8378 B13R0.338 C=CCCCSCC(=O)CCCCC 62a_100011713584_200012276598 [0,1,0,0,0,0|2,0,1]=4 8379 B13R0.338 C=CCCCSCC(=O)CCCCC 62a_200012276598_100000757094 [0,1,0,0,0,0|2,0,1]=4 8380 B13R0.338 C=CCCNC(=O)CCCCCCC 11a_100015191253_100000211969 [0,1,0,0,0,0|2,0,1]=4 8381 B13R0.338 C=CCCNC(=O)CCCCCCC 1626a_100015191253_100000211969 [0,1,0,0,0,0|2,0,1]=4 8382 B13R0.338 C=CCCNC(=O)CCCCCCC 240690a_100015191253_100000211969 [0,1,0,0,0,0|2,0,1]=4 8383 B13R0.338 C=CCCNC(=O)CCCCCCC 527a_100015191253_100000211969 [0,1,0,0,0,0|2,0,1]=4 8384 B13R0.338 C=CCCNC(C)CCCCCCC 2230a_100015191253_200011218727 [0,1,0,0,0,0|2,0,0]=3 8385 B13R0.338 C=CCCNC(C)CCCCCCC 270004a_100015191253_100000210596 [0,1,0,0,0,0|2,0,0]=3 8386 B13R0.338 C=CCCOC(C)CCCCCCC 34a_100011205117_200011218727 [0,1,0,0,0,0|2,0,0]=3 8387 B13R0.338 C=CCCOC(C)CCCCCCC 34a_200011215852_100000754431 [0,1,0,0,0,0|2,0,0]=3 8388 B13R0.338 C=CCCOC(C)CCCCCCC 7a_200011215852_100000754431 [0,1,0,0,0,0|2,0,0]=3 8389 B13R0.338 C=CCCSC(C)CCCCCCC 62a_100000754431_200011218727 [0,1,0,0,0,0|2,0,0]=3 8390 B13R0.338 C=CCCSC(C)CCCCCCC 62a_200011218727_100000754431 [0,1,0,0,0,0|2,0,0]=3 8391 B13R0.338 C=CCOCCOC(C)CCCCC 34a_100000037705_200011218191 [0,1,0,0,0,0|3,0,0]=4 8392 B13R0.338 C=CCOCCOC(C)CCCCC 7a_100000037705_200011218191 [0,1,0,0,0,0|3,0,0]=4 8393 B13R0.338 C=CCSCC(=O)CCCCCCC 1458a_100000230395_100000210614 [0,1,0,0,0,0|2,0,1]=4 8394 B13R0.338 C=COCCC(=O)CCCCCCC 1458a_100000211969_100000039644 [0,1,0,0,0,0|2,0,1]=4 8395 B13R0.338 C=COCCCNC(C)CCCCC 2230a_100000210767_200011218191 [0,1,0,0,0,0|3,0,0]=4 8396 B13R0.338 C=COCCCNC(C)CCCCC 270004a_100000210767_100000211708 [0,1,0,0,0,0|3,0,0]=4 8397 B13R0.338 C=COCCCNC(C)CCCCC 34a_100000210767_200011218191 [0,1,0,0,0,0|3,0,0]=4 8398 B13R0.338 C=COCCN(C)CCCCCCC 2230a_100000228206_100000039644 [0,1,0,0,0,0|3,0,0]=4 8399 B13R0.338 C=COCCN(C)CCCCCCC 269982a_100000228206_100000039644 [0,1,0,0,0,0|3,0,0]=4 8400 B13R0.338 CC=CCCCOC(C)CCCCC 34a_100020645299_200011218191 [0,1,0,0,0,0|2,0,1]=4 8401 B13R0.338 CC=CCOC(C)CCCCCCC 34a_200011215852_100000070051 [0,1,0,0,0,0|2,0,1]=4 8402 B13R0.338 CC=CCOC(C)CCCCCCC 7a_200011215852_100000070051 [0,1,0,0,0,0|2,0,1]=4 8403 B13R0.338 CC=CCSC(C)CCCCCCC 62a_100000070051_200011218727 [0,1,0,0,0,0|2,0,1]=4 8404 B13R0.338 CC=CCSC(C)CCCCCCC 62a_200011218727_100000070051 [0,1,0,0,0,0|2,0,1]=4 8405 B13R0.338 CCC#CCC(C)OCCCCC=O 7a_200000035118_100000139335 [0,1,0,0,0,0|1,0,2]=4 8406 B13R0.338 CCCCCC(=O)CCCCCC#N 1458a_100000212188_100009813376 [0,1,0,0,0,0|1,0,2]=4 8407 B13R0.338 CCCCCC(=O)CCCCCCF 1458a_100000212188_100015922095 [0,1,0,0,0,0|1,0,2]=4 8408 B13R0.338 CCCCCC(=O)CCCCCCO 1458a_100000212188_100000766143 [0,1,0,0,0,0|0,0,3]=4 8409 B13R0.338 CCCCCC(=O)CCCCCCO 1458a_100011996774_100000210326 [0,1,0,0,0,0|0,0,3]=4 8410 B13R0.338 CCCCCC(=O)CCCCCOC 1458a_100011935119_100000210326 [0,1,0,0,0,0|2,0,1]=4 8411 B13R0.338 CCCCCC(=O)CSCCCC=O 62a_200011292268_200012276598 [0,1,0,0,0,0|1,0,1]=3 8412 B13R0.338 CCCCCC(=O)CSCCCC=O 62a_200012276598_200011292268 [0,1,0,0,0,0|1,0,1]=3 8413 B13R0.338 CCCCCC(C)NCCCCC#N 2230a_100000211957_100000211819 [0,1,0,0,0,0|2,0,1]=4 8414 B13R0.338 CCCCCC(C)NCCCCC#N 270004a_100000751965_100000211708 [0,1,0,0,0,0|2,0,1]=4 8415 B13R0.338 CCCCCC(C)NCCCCC=O 2230a_100000211957_100000139335 [0,1,0,0,0,0|1,0,0]=2 8416 B13R0.338 CCCCCC(C)NCCCCCF 2230a_100000211957_100000729378 [0,1,0,0,0,0|2,0,1]=4 8417 B13R0.338 CCCCCC(C)NCCCCCO 2230a_100000211957_100000746330 [0,1,0,0,0,0|1,0,2]=4 8418 B13R0.338 CCCCCC(C)NCCCCCO 2230a_100000762737_200011218191 [0,1,0,0,0,0|1,0,2]=4 8419 B13R0.338 CCCCCC(C)NCCCCCO 270004a_100000762737_100000211708 [0,1,0,0,0,0|1,0,2]=4 8420 B13R0.338 CCCCCC(C)NCCCCCO 34a_100000762737_200011218191 [0,1,0,0,0,0|1,0,2]=4 8421 B13R0.338 CCCCCC(C)NCCCCOC 2230a_100000211957_100000730899 [0,1,0,0,0,0|3,0,0]=4 8422 B13R0.338 CCCCCC(C)OCCCCC#N 7a_100011215632_100000211819 [0,1,0,0,0,0|2,0,1]=4 8423 B13R0.338 CCCCCC(C)OCCCCC=O 7a_100011215632_100000139335 [0,1,0,0,0,0|1,0,0]=2 8424 B13R0.338 CCCCCC(C)OCCCCCBr 34a_100000746331_200011218191 [0,1,0,0,0,0|2,0,1]=4 8425 B13R0.338 CCCCCC(C)OCCCCCBr 7a_100000746331_200011218191 [0,1,0,0,0,0|2,0,1]=4 8426 B13R0.338 CCCCCC(C)OCCCCCCl 34a_100000746330_200011218191 [0,1,0,0,0,0|2,0,1]=4 8427 B13R0.338 CCCCCC(C)OCCCCCCl 7a_100000746330_200011218191 [0,1,0,0,0,0|2,0,1]=4 8428 B13R0.338 CCCCCC(C)OCCCCCF 34a_100011215632_100000729378 [0,1,0,0,0,0|2,0,1]=4 8429 B13R0.338 CCCCCC(C)OCCCCCF 7a_100011215632_100000729378 [0,1,0,0,0,0|2,0,1]=4 8430 B13R0.338 CCCCCC(C)OCCCCCI 34a_200012148887_200011218191 [0,1,0,0,0,0|2,0,1]=4 8431 B13R0.338 CCCCCC(C)OCCCCCI 7a_200012148887_200011218191 [0,1,0,0,0,0|2,0,1]=4 8432 B13R0.338 CCCCCC(C)OCCCCCN 34a_100000762737_200011218191 [0,1,0,0,0,0|2,0,1]=4 8433 B13R0.338 CCCCCC(C)OCCCCCO 34a_100011215632_100000746330 [0,1,0,0,0,0|1,0,2]=4 8434 B13R0.338 CCCCCC(C)OCCCCCO 7a_100011215632_100000746330 [0,1,0,0,0,0|1,0,2]=4 8435 B13R0.338 CCCCCC(C)OCCCCOC 34a_100000740925_200011218191 [0,1,0,0,0,0|3,0,0]=4 8436 B13R0.338 CCCCCC(C)OCCCCOC 34a_100011215632_100000755781 [0,1,0,0,0,0|3,0,0]=4 8437 B13R0.338 CCCCCC(C)OCCCCOC 7a_100011215632_100000730899 [0,1,0,0,0,0|3,0,0]=4 8438 B13R0.338 CCCCCC(C)OCCCCSC 34a_100011217163_200011218191 [0,1,0,0,0,0|3,0,0]=4 8439 B13R0.338 CCCCCC(C)OCCCCSC 7a_100011217163_200011218191 [0,1,0,0,0,0|3,0,0]=4 8440 B13R0.338 CCCCCC(C)SCCCCC#N 62a_100011219923_200011218191 [0,1,0,0,0,0|2,0,1]=4 8441 B13R0.338 CCCCCC(C)SCCCCC#N 62a_200011218191_100000211819 [0,1,0,0,0,0|2,0,1]=4 8442 B13R0.338 CCCCCC(C)SCCCCC=O 62a_100000139335_200011218191 [0,1,0,0,0,0|1,0,0]=2 8443 B13R0.338 CCCCCC(C)SCCCCC=O 62a_200011218191_100000139335 [0,1,0,0,0,0|1,0,0]=2 8444 B13R0.338 CCCCCC(C)SCCCCCF 62a_100000729378_200011218191 [0,1,0,0,0,0|2,0,1]=4 8445 B13R0.338 CCCCCC(C)SCCCCCF 62a_200011218191_100000729378 [0,1,0,0,0,0|2,0,1]=4 8446 B13R0.338 CCCCCC(C)SCCCCCO 62a_100000746330_200011218191 [0,1,0,0,0,0|1,0,2]=4 8447 B13R0.338 CCCCCC(C)SCCCCCO 62a_200011218191_100000746330 [0,1,0,0,0,0|1,0,2]=4 8448 B13R0.338 CCCCCC(C)SCCCCOC 62a_100000730899_200011218191 [0,1,0,0,0,0|3,0,0]=4 8449 B13R0.338 CCCCCC(C)SCCCCOC 62a_200011218191_100000730899 [0,1,0,0,0,0|3,0,0]=4 8450 B13R0.338 CCCCCCCC(=O)CCCC#N 1458a_100000075515_100000210614 [0,1,0,0,0,0|1,0,2]=4 8451 B13R0.338 CCCCCCCC(=O)CCCC#N 1458a_100000211969_100000211468 [0,1,0,0,0,0|1,0,2]=4 8452 B13R0.338 CCCCCCCC(=O)CCCCC 1458a_100000211969_100000210326 [0,1,0,0,0,0|1,0,2]=4 8453 B13R0.338 CCCCCCCC(=O)CCCCC 1458a_100000212188_100000210614 [0,1,0,0,0,0|1,0,2]=4 8454 B13R0.338 CCCCCCCC(=O)CCCCF 1458a_100000211969_100000729493 [0,1,0,0,0,0|1,0,2]=4 8455 B13R0.338 CCCCCCCC(=O)CCCCO 1458a_100000211969_100000210776 [0,1,0,0,0,0|0,0,3]=4 8456 B13R0.338 CCCCCCCC(=O)CCCCO 1458a_100000695505_100000210614 [0,1,0,0,0,0|0,0,3]=4 8457 B13R0.338 CCCCCCCC(=O)CCCOC 1458a_100000211969_100000740836 [0,1,0,0,0,0|2,0,1]=4 8458 B13R0.338 CCCCCCCC(=O)CCCOC 1458a_100000741012_100000210614 [0,1,0,0,0,0|2,0,1]=4 8459 B13R0.338 CCCCCCCC(=O)CCCSC 1458a_100000173376_100000210614 [0,1,0,0,0,0|2,0,1]=4 8460 B13R0.338 CCCCCCCC(C)NCCC#N 270004a_100000720768_100000210596 [0,1,0,0,0,0|2,0,1]=4 8461 B13R0.338 CCCCCCCC(C)NCCCC 2230a_100000102301_200011218727 [0,1,0,0,0,0|2,0,1]=4 8462 B13R0.338 CCCCCCCC(C)NCCCC 270004a_100000102301_100000210596 [0,1,0,0,0,0|2,0,1]=4 8463 B13R0.338 CCCCCCCC(C)NCCCC 7a_106832991798_200011218727 [0,1,0,0,0,0|2,0,1]=4 8464 B13R0.338 CCCCCCCC(C)NCCCF 2230a_100015189416_200011218727 [0,1,0,0,0,0|2,0,1]=4 8465 B13R0.338 CCCCCCCC(C)NCCCF 270004a_100015189416_100000210596 [0,1,0,0,0,0|2,0,1]=4 8466 B13R0.338 CCCCCCCC(C)NCCCF 34a_100015189416_200011218727 [0,1,0,0,0,0|2,0,1]=4 8467 B13R0.338 CCCCCCCC(C)NCCCO 270004a_100000182051_100000210596 [0,1,0,0,0,0|1,0,2]=4 8468 B13R0.338 CCCCCCCC(C)NCCOC 2230a_100000209980_200011218727 [0,1,0,0,0,0|3,0,0]=4 8469 B13R0.338 CCCCCCCC(C)NCCOC 270004a_100000209980_100000210596 [0,1,0,0,0,0|3,0,0]=4 8470 B13R0.338 CCCCCCCC(C)NCCSC 2230a_100020590264_200011218727 [0,1,0,0,0,0|3,0,0]=4 8471 B13R0.338 CCCCCCCC(C)NCCSC 270004a_100020590264_100000210596 [0,1,0,0,0,0|3,0,0]=4 8472 B13R0.338 CCCCCCCC(C)OCCC#N 7a_200011215852_100000184422 [0,1,0,0,0,0|2,0,1]=4 8473 B13R0.338 CCCCCCCC(C)OCCCBr 34a_100011217188_200011218727 [0,1,0,0,0,0|2,0,1]=4 8474 B13R0.338 CCCCCCCC(C)OCCCC 34a_100000210227_200011218727 [0,1,0,0,0,0|2,0,1]=4 8475 B13R0.338 CCCCCCCC(C)OCCCC 34a_200011215852_100000210210 [0,1,0,0,0,0|2,0,1]=4 8476 B13R0.338 CCCCCCCC(C)OCCCC 7a_100000210227_200011218727 [0,1,0,0,0,0|2,0,1]=4 8477 B13R0.338 CCCCCCCC(C)OCCCC 7a_200011215852_100000210211 [0,1,0,0,0,0|2,0,1]=4 8478 B13R0.338 CCCCCCCC(C)OCCCCl 34a_100000230001_200011218727 [0,1,0,0,0,0|2,0,1]=4 8479 B13R0.338 CCCCCCCC(C)OCCCF 34a_100000759539_200011218727 [0,1,0,0,0,0|2,0,1]=4 8480 B13R0.338 CCCCCCCC(C)OCCCF 34a_200011215852_100011934791 [0,1,0,0,0,0|2,0,1]=4 8481 B13R0.338 CCCCCCCC(C)OCCCF 7a_200011215852_100011934791 [0,1,0,0,0,0|2,0,1]=4 8482 B13R0.338 CCCCCCCC(C)OCCCN 34a_100000182051_200011218727 [0,1,0,0,0,0|2,0,1]=4 8483 B13R0.338 CCCCCCCC(C)OCCCO 34a_200011215852_100000230001 [0,1,0,0,0,0|1,0,2]=4 8484 B13R0.338 CCCCCCCC(C)OCCCO 7a_200011215852_100011215043 [0,1,0,0,0,0|1,0,2]=4 8485 B13R0.338 CCCCCCCC(C)OCCOC 34a_100000210237_200011218727 [0,1,0,0,0,0|3,0,0]=4 8486 B13R0.338 CCCCCCCC(C)OCCOC 34a_200011215852_100011201679 [0,1,0,0,0,0|3,0,0]=4 8487 B13R0.338 CCCCCCCC(C)OCCOC 7a_200011215852_100000233755 [0,1,0,0,0,0|3,0,0]=4 8488 B13R0.338 CCCCCCCC(C)OCCON 34a_100000700252_200011218727 [0,1,0,0,0,0|3,0,0]=4 8489 B13R0.338 CCCCCCCC(C)OCCSC 34a_100000230434_200011218727 [0,1,0,0,0,0|3,0,0]=4 8490 B13R0.338 CCCCCCCC(C)OCCSC 34a_200011215852_100000212216 [0,1,0,0,0,0|3,0,0]=4 8491 B13R0.338 CCCCCCCC(C)OCCSC 7a_100000230434_200011218727 [0,1,0,0,0,0|3,0,0]=4 8492 B13R0.338 CCCCCCCC(C)OCCSC 7a_200011215852_100000212216 [0,1,0,0,0,0|3,0,0]=4 8493 B13R0.338 CCCCCCCC(C)SCCC#N 62a_100011215226_200011218727 [0,1,0,0,0,0|2,0,1]=4 8494 B13R0.338 CCCCCCCC(C)SCCC#N 62a_200011218727_100011215226 [0,1,0,0,0,0|2,0,1]=4 8495 B13R0.338 CCCCCCCC(C)SCCCC 62a_100000210211_200011218727 [0,1,0,0,0,0|2,0,1]=4 8496 B13R0.338 CCCCCCCC(C)SCCCC 62a_200011218727_100000210210 [0,1,0,0,0,0|2,0,1]=4 8497 B13R0.338 CCCCCCCC(C)SCCCF 62a_100011934791_200011218727 [0,1,0,0,0,0|2,0,1]=4 8498 B13R0.338 CCCCCCCC(C)SCCCF 62a_200011218727_100011934791 [0,1,0,0,0,0|2,0,1]=4 8499 B13R0.338 CCCCCCCC(C)SCCCO 62a_100011215043_200011218727 [0,1,0,0,0,0|1,0,2]=4 8500 B13R0.338 CCCCCCCC(C)SCCCO 62a_200011218727_100011215043 [0,1,0,0,0,0|1,0,2]=4 8501 B13R0.338 CCCCCCCC(C)SCCOC 62a_100000233755_200011218727 [0,1,0,0,0,0|3,0,0]=4 8502 B13R0.338 CCCCCCCC(C)SCCOC 62a_200011218727_100000233755 [0,1,0,0,0,0|3,0,0]=4 8503 B13R0.338 CCCCCCCC(C)SCCSC 62a_100000212216_200011218727 [0,1,0,0,0,0|3,0,0]=4 8504 B13R0.338 CCCCCCCC(C)SCCSC 62a_200011218727_100000751147 [0,1,0,0,0,0|3,0,0]=4 8505 B13R0.338 CCCCCCCN(C)CCCC#N 2230a_100000228206_100000687738 [0,1,0,0,0,0|2,0,1]=4 8506 B13R0.338 CCCCCCCN(C)CCCC#N 269982a_100000228206_100000687738 [0,1,0,0,0,0|2,0,1]=4 8507 B13R0.338 CCCCCCCN(C)CCCC=O 2230a_100000228206_200011292268 [0,1,0,0,0,0|1,0,0]=2 8508 B13R0.338 CCCCCCCN(C)CCCC=O 269982a_100000228206_200011292268 [0,1,0,0,0,0|1,0,0]=2 8509 B13R0.338 CCCCCCCN(C)CCCCC 2230a_100000223495_100000210681 [0,1,0,0,0,0|2,0,1]=4 8510 B13R0.338 CCCCCCCN(C)CCCCC 2230a_100000228206_100000210326 [0,1,0,0,0,0|2,0,1]=4 8511 B13R0.338 CCCCCCCN(C)CCCCC 269982a_100000223495_100000210681 [0,1,0,0,0,0|2,0,1]=4 8512 B13R0.338 CCCCCCCN(C)CCCCC 269982a_100000228206_100000210215 [0,1,0,0,0,0|2,0,1]=4 8513 B13R0.338 CCCCCCCN(C)CCCCF 2230a_100000228206_100000729493 [0,1,0,0,0,0|2,0,1]=4 8514 B13R0.338 CCCCCCCN(C)CCCCF 269982a_100000228206_100000729493 [0,1,0,0,0,0|2,0,1]=4 8515 B13R0.338 CCCCCCCN(C)CCCCO 2230a_100000228206_100000210776 [0,1,0,0,0,0|1,0,2]=4 8516 B13R0.338 CCCCCCCN(C)CCCCO 2230a_100000717598_100000210681 [0,1,0,0,0,0|1,0,2]=4 8517 B13R0.338 CCCCCCCN(C)CCCCO 269982a_100000228206_100000210776 [0,1,0,0,0,0|1,0,2]=4 8518 B13R0.338 CCCCCCCN(C)CCCCO 269982a_100000717598_100000210681 [0,1,0,0,0,0|1,0,2]=4 8519 B13R0.338 CCCCCCCN(C)CCCOC 2230a_100000224831_100000210681 [0,1,0,0,0,0|3,0,0]=4 8520 B13R0.338 CCCCCCCN(C)CCCOC 2230a_100000228206_100000740836 [0,1,0,0,0,0|3,0,0]=4 8521 B13R0.338 CCCCCCCN(C)CCCOC 269982a_100000224831_100000210681 [0,1,0,0,0,0|3,0,0]=4 8522 B13R0.338 CCCCCCCN(C)CCCOC 269982a_100000228206_100000740836 [0,1,0,0,0,0|3,0,0]=4 8523 B13R0.338 CCCCCCNC(=O)CSCC=O 62a_100000230325_200015260668 [0,1,0,0,0,0|2,0,1]=4 8524 B13R0.338 CCCCCCNC(C)CCCC#N 270004a_100000210581_200000032708 [0,1,0,0,0,0|2,0,1]=4 8525 B13R0.338 CCCCCCNC(C)CCCCC 2230a_100000210581_200011218191 [0,1,0,0,0,0|2,0,1]=4 8526 B13R0.338 CCCCCCNC(C)CCCCC 2230a_100000211957_100000210314 [0,1,0,0,0,0|2,0,1]=4 8527 B13R0.338 CCCCCCNC(C)CCCCC 270004a_100000210581_100000211708 [0,1,0,0,0,0|2,0,1]=4 8528 B13R0.338 CCCCCCNC(C)CCCSC 270004a_100000210581_100011399439 [0,1,0,0,0,0|3,0,0]=4 8529 B13R0.338 CCCCCCOC(C)CCCCC 34a_100000210259_200011218191 [0,1,0,0,0,0|2,0,1]=4 8530 B13R0.338 CCCCCCOC(C)CCCCC 34a_100011215632_100000210314 [0,1,0,0,0,0|2,0,1]=4 8531 B13R0.338 CCCCCCOC(C)CCCCC 7a_100000210259_200011218191 [0,1,0,0,0,0|2,0,1]=4 8532 B13R0.338 CCCCCCOC(C)CCCCC 7a_100011215632_100000210314 [0,1,0,0,0,0|2,0,1]=4 8533 B13R0.338 CCCCCCOC(C)CCCOC 34a_200011539412_100000210314 [0,1,0,0,0,0|3,0,0]=4 8534 B13R0.338 CCCCCCOC(C)CCCOC 7a_200011539412_100000210314 [0,1,0,0,0,0|3,0,0]=4 8535 B13R0.338 CCCCCCSC(C)CCCCC 62a_100000210314_200011218191 [0,1,0,0,0,0|2,0,1]=4 8536 B13R0.338 CCCCCCSC(C)CCCCC 62a_200011218191_100000210757 [0,1,0,0,0,0|2,0,1]=4 8537 B13R0.338 CCCCCN(C)CCCCCC#N 2230a_100000223495_100009813376 [0,1,0,0,0,0|2,0,1]=4 8538 B13R0.338 CCCCCN(C)CCCCCC#N 269982a_100000223495_100009813376 [0,1,0,0,0,0|2,0,1]=4 8539 B13R0.338 CCCCCN(C)CCCCCC=O 2230a_100000223495_100000139337 [0,1,0,0,0,0|1,0,0]=2 8540 B13R0.338 CCCCCN(C)CCCCCC=O 269982a_100000223495_100000139337 [0,1,0,0,0,0|1,0,0]=2 8541 B13R0.338 CCCCCN(C)CCCCCCF 2230a_100000223495_100015922095 [0,1,0,0,0,0|2,0,1]=4 8542 B13R0.338 CCCCCN(C)CCCCCCF 269982a_100000223495_100015922095 [0,1,0,0,0,0|2,0,1]=4 8543 B13R0.338 CCCCCN(C)CCCCCCO 2230a_100000223495_100000766143 [0,1,0,0,0,0|1,0,2]=4 8544 B13R0.338 CCCCCN(C)CCCCCCO 269982a_100000223495_100000766143 [0,1,0,0,0,0|1,0,2]=4 8545 B13R0.338 CCCCCOC[C@@H](N)CCCCN 34a_100016993712_100000718602 [0,1,0,0,0,0|2,0,1]=4 8546 B13R0.338 CCCCNC(=O)CSCCCC=O 62a_100000182744_200011292268 [0,1,0,0,0,0|2,0,1]=4 8547 B13R0.338 CCCCNC(=O)CSCCCC=O 62a_200011292268_100000182744 [0,1,0,0,0,0|2,0,1]=4 8548 B13R0.338 CCCCOC(=O)CSCCCC=O 62a_100000211628_200011292268 [0,1,0,0,0,0|2,0,1]=4 8549 B13R0.338 CCCCOC(=O)CSCCCC=O 62a_200011292268_100000211628 [0,1,0,0,0,0|2,0,1]=4 8550 B13R0.338 CN(CCCCO)CCCCCC=O 2230a_100000717598_100000139337 [0,1,0,0,0,0|2,0,0]=3 8551 B13R0.338 CN(CCCCO)CCCCCC=O 269982a_100000717598_100000139337 [0,1,0,0,0,0|2,0,0]=3 8552 B13R0.338 COCCCC(C)OCCCCC=O 7a_200011539412_100000139335 [0,1,0,0,0,0|2,0,0]=3 8553 B13R0.338 COCCCN(C)CCCCCC=O 2230a_100000224831_100000139337 [0,1,0,0,0,0|2,0,0]=3 8554 B13R0.338 COCCCN(C)CCCCCC=O 269982a_100000224831_100000139337 [0,1,0,0,0,0|2,0,0]=3 8555 B13R1.28 BrCCCCCOC1C=CCCC1 7a_100000746331_100000751183 [0,0,0,1,0,0|3,0,0]=4 8556 B13R1.28 BrCCCCCOC1CCCCC1 34a_100000746331_100000210327 [0,0,0,1,0,0|2,0,1]=4 8557 B13R1.28 BrCCCCCOC1CCCCC1 7a_100000746331_100000210327 [0,0,0,1,0,0|2,0,1]=4 8558 B13R1.28 BrCCCCOCC1CCCCC1 34a_100011216708_100000211423 [0,0,0,1,0,0|2,0,1]=4 8559 B13R1.28 BrCCCOCCC1CCCCC1 34a_100011217188_100011209188 [0,0,0,1,0,0|2,0,1]=4 8560 B13R1.28 BrCCOCCCC1CCCCC1 34a_100000211926_100011713725 [0,0,0,1,0,0|2,0,1]=4 8561 B13R1.28 C#CCCCCNC1CCCCC1 2230a_100000182618_100010269958 [0,0,0,1,0,0|2,0,1]=4 8562 B13R1.28 C#CCCCCNC1CCCCC1 34a_100000182618_100010269958 [0,0,0,1,0,0|2,0,1]=4 8563 B13R1.28 C#CCCCCNC1CCCCC1 34a_100000706060_100000210327 [0,0,0,1,0,0|2,0,1]=4 8564 B13R1.28 C#CCCCCOC1CCCCC1 34a_100000210231_100010269958 [0,0,0,1,0,0|2,0,1]=4 8565 B13R1.28 C#CCCCCOC1CCCCC1 34a_100000766709_100000210327 [0,0,0,1,0,0|2,0,1]=4 8566 B13R1.28 C#CCCCCOC1CCCCC1 7a_100000210231_100010269958 [0,0,0,1,0,0|2,0,1]=4 8567 B13R1.28 C#CCCCCOC1CCCCC1 7a_100000766709_100000210327 [0,0,0,1,0,0|2,0,1]=4 8568 B13R1.28 C#CCCCCSC1CCCCC1 62a_100000210327_100010269958 [0,0,0,1,0,0|2,0,1]=4 8569 B13R1.28 C#CCCCCSC1CCCCC1 62a_100010269958_100000210327 [0,0,0,1,0,0|2,0,1]=4 8570 B13R1.28 C#CCCCNCC1CCCCC1 2230a_100000210473_100000731252 [0,0,0,1,0,0|2,0,1]=4 8571 B13R1.28 C#CCCCNCC1CCCCC1 34a_100000210473_100000695029 [0,0,0,1,0,0|2,0,1]=4 8572 B13R1.28 C#CCCCNCC1CCCCC1 34a_100000718082_100000211423 [0,0,0,1,0,0|2,0,1]=4 8573 B13R1.28 C#CCCCOCC1CCCCC1 34a_100000212181_100000695029 [0,0,0,1,0,0|2,0,1]=4 8574 B13R1.28 C#CCCCOCC1CCCCC1 34a_100000215630_100000211423 [0,0,0,1,0,0|2,0,1]=4 8575 B13R1.28 C#CCCCOCC1CCCCC1 7a_100000212181_100011215417 [0,0,0,1,0,0|2,0,1]=4 8576 B13R1.28 C#CCCCOCC1CCCCC1 7a_100000215630_100000211423 [0,0,0,1,0,0|2,0,1]=4 8577 B13R1.28 C#CCCCSCC1CCCCC1 62a_100000211423_100011215417 [0,0,0,1,0,0|2,0,1]=4 8578 B13R1.28 C#CCCCSCC1CCCCC1 62a_100011215417_100000211423 [0,0,0,1,0,0|2,0,1]=4 8579 B13R1.28 C#CCCNCCC1CCCCC1 2230a_100000738074_100000688953 [0,0,0,1,0,0|2,0,1]=4 8580 B13R1.28 C#CCCNCCC1CCCCC1 34a_100000738074_100000688953 [0,0,0,1,0,0|2,0,1]=4 8581 B13R1.28 C#CCCNCCC1CCCCC1 34a_100000755551_100011209188 [0,0,0,1,0,0|2,0,1]=4 8582 B13R1.28 C#CCCOCCC1CCCCC1 34a_100011215631_100011209188 [0,0,0,1,0,0|2,0,1]=4 8583 B13R1.28 C#CCCOCCC1CCCCC1 34a_100011217863_100000688953 [0,0,0,1,0,0|2,0,1]=4 8584 B13R1.28 C#CCCOCCC1CCCCC1 7a_100011217863_100000688953 [0,0,0,1,0,0|2,0,1]=4 8585 B13R1.28 C#CCCSCCC1CCCCC1 62a_100000688953_100012355289 [0,0,0,1,0,0|2,0,1]=4 8586 B13R1.28 C#CCCSCCC1CCCCC1 62a_100012355289_100000688953 [0,0,0,1,0,0|2,0,1]=4 8587 B13R1.28 C#CCNCCCC1CCCCC1 2230a_100011211642_100000038162 [0,0,0,1,0,0|2,0,1]=4 8588 B13R1.28 C#CCNCCCC1CCCCC1 34a_100000212058_100011713725 [0,0,0,1,0,0|2,0,1]=4 8589 B13R1.28 C#CCNCCCC1CCCCC1 34a_100011211642_100000184674 [0,0,0,1,0,0|2,0,1]=4 8590 B13R1.28 C#CCOCCCC1CCCCC1 34a_100000198086_100000184674 [0,0,0,1,0,0|2,0,1]=4 8591 B13R1.28 C#CCOCCCC1CCCCC1 34a_100000210247_100011713725 [0,0,0,1,0,0|2,0,1]=4 8592 B13R1.28 C#CCOCCCC1CCCCC1 7a_100000198086_100000038162 [0,0,0,1,0,0|2,0,1]=4 8593 B13R1.28 C#CCSCCCC1CCCCC1 62a_100000038162_100011713725 [0,0,0,1,0,0|2,0,1]=4 8594 B13R1.28 C/C=C/CCOCC1CCCCC1 34a_100016278192_100000211423 [0,0,0,1,0,0|2,0,1]=4 8595 B13R1.28 C/C=C/CNCCC1CCCCC1 34a_100000738074_100102629194 [0,0,0,1,0,0|2,0,1]=4 8596 B13R1.28 C/C=C/COCCC1CCCCC1 34a_100011217863_100102629194 [0,0,0,1,0,0|2,0,1]=4 8597 B13R1.28 C/C=C/COCCC1CCCCC1 34a_100016270725_100011209188 [0,0,0,1,0,0|2,0,1]=4 8598 B13R1.28 C/C=C/COCCC1CCCCC1 7a_100011217863_100102629194 [0,0,0,1,0,0|2,0,1]=4 8599 B13R1.28 C/C=C/CSCCC1CCCCC1 62a_100012355289_100102629194 [0,0,0,1,0,0|2,0,1]=4 8600 B13R1.28 C/C=C/CSCCC1CCCCC1 62a_100102629194_100012355289 [0,0,0,1,0,0|2,0,1]=4 8601 B13R1.28 C=CCCCCCN1CCCOC1 2230a_100000131196_100000700193 [0,0,0,1,0,0|3,0,0]=4 8602 B13R1.28 C=CCCCCCN1CCCOC1 269982a_100000131196_100000700193 [0,0,0,1,0,0|3,0,0]=4 8603 B13R1.28 C=CCCCCCN1CCCOC1 34a_100000131196_100000700193 [0,0,0,1,0,0|3,0,0]=4 8604 B13R1.28 C=CCCCCCN1CCOCC1 2230a_100015191051_100000700193 [0,0,0,1,0,0|3,0,0]=4 8605 B13R1.28 C=CCCCCCN1CCOCC1 269982a_100015191051_100000700193 [0,0,0,1,0,0|3,0,0]=4 8606 B13R1.28 C=CCCCCCN1CCOCC1 34a_100015191051_100000700193 [0,0,0,1,0,0|3,0,0]=4 8607 B13R1.28 C=CCCCCCN1CCSCC1 2230a_100000737611_100000700193 [0,0,0,1,0,0|3,0,0]=4 8608 B13R1.28 C=CCCCCCN1CCSCC1 269982a_100000737611_100000700193 [0,0,0,1,0,0|3,0,0]=4 8609 B13R1.28 C=CCCCCNC1CCCCC1 2230a_100000182618_100011215482 [0,0,0,1,0,0|2,0,0]=3 8610 B13R1.28 C=CCCCCNC1CCCCC1 270004a_100000703577_100000210434 [0,0,0,1,0,0|2,0,0]=3 8611 B13R1.28 C=CCCCCNC1CCCCC1 34a_100000182618_100011215482 [0,0,0,1,0,0|2,0,0]=3 8612 B13R1.28 C=CCCCCNC1CCCCC1 34a_100000703577_100000210327 [0,0,0,1,0,0|2,0,0]=3 8613 B13R1.28 C=CCCCCNC1CCCOC1 2230a_100000719290_100011215482 [0,0,0,1,0,0|3,0,0]=4 8614 B13R1.28 C=CCCCCNC1CCCOC1 270004a_100000703577_100000753404 [0,0,0,1,0,0|3,0,0]=4 8615 B13R1.28 C=CCCCCNC1CCCOC1 34a_100000703577_100000693364 [0,0,0,1,0,0|3,0,0]=4 8616 B13R1.28 C=CCCCCNC1CCCOC1 34a_100000719290_100011215482 [0,0,0,1,0,0|3,0,0]=4 8617 B13R1.28 C=CCCCCNC1CCCSC1 270004a_100000703577_100000057913 [0,0,0,1,0,0|3,0,0]=4 8618 B13R1.28 C=CCCCCNC1CCNCC1 270004a_100000703577_100015192401 [0,0,0,1,0,0|3,0,0]=4 8619 B13R1.28 C=CCCCCNC1CCOCC1 2230a_100000741149_100011215482 [0,0,0,1,0,0|3,0,0]=4 8620 B13R1.28 C=CCCCCNC1CCOCC1 270004a_100000703577_100011217826 [0,0,0,1,0,0|3,0,0]=4 8621 B13R1.28 C=CCCCCNC1CCOCC1 34a_100000741149_100011215482 [0,0,0,1,0,0|3,0,0]=4 8622 B13R1.28 C=CCCCCNC1CCSCC1 2230a_100000748639_100011215482 [0,0,0,1,0,0|3,0,0]=4 8623 B13R1.28 C=CCCCCNC1CCSCC1 270004a_100000703577_100000203788 [0,0,0,1,0,0|3,0,0]=4 8624 B13R1.28 C=CCCCCNC1CCSCC1 34a_100000703577_100000069128 [0,0,0,1,0,0|3,0,0]=4 8625 B13R1.28 C=CCCCCNC1CCSCC1 34a_100000748639_100011215482 [0,0,0,1,0,0|3,0,0]=4 8626 B13R1.28 C=CCCCCOC1CCCCC1 34a_100000210231_100011215482 [0,0,0,1,0,0|2,0,0]=3 8627 B13R1.28 C=CCCCCOC1CCCCC1 34a_100000766645_100000210327 [0,0,0,1,0,0|2,0,0]=3 8628 B13R1.28 C=CCCCCOC1CCCCC1 7a_100000210231_100011215482 [0,0,0,1,0,0|2,0,0]=3 8629 B13R1.28 C=CCCCCOC1CCCCC1 7a_100000766645_100000210327 [0,0,0,1,0,0|2,0,0]=3 8630 B13R1.28 C=CCCCCOC1CCCCO1 34a_100000033831_100011215482 [0,0,0,1,0,0|3,0,0]=4 8631 B13R1.28 C=CCCCCOC1CCCOC1 34a_100000754041_100011215482 [0,0,0,1,0,0|3,0,0]=4 8632 B13R1.28 C=CCCCCOC1CCCOC1 34a_100000766645_100000693364 [0,0,0,1,0,0|3,0,0]=4 8633 B13R1.28 C=CCCCCOC1CCCOC1 7a_100000766645_100000693364 [0,0,0,1,0,0|3,0,0]=4 8634 B13R1.28 C=CCCCCOC1CCCSC1 7a_100015962668_100011215482 [0,0,0,1,0,0|3,0,0]=4 8635 B13R1.28 C=CCCCCOC1CCOCC1 34a_100000744328_100011215482 [0,0,0,1,0,0|3,0,0]=4 8636 B13R1.28 C=CCCCCOC1CCOCC1 7a_100000766645_100000686592 [0,0,0,1,0,0|3,0,0]=4 8637 B13R1.28 C=CCCCCOC1CCSCC1 34a_100000731022_100011215482 [0,0,0,1,0,0|3,0,0]=4 8638 B13R1.28 C=CCCCCOC1CCSCC1 34a_100000766645_100000069128 [0,0,0,1,0,0|3,0,0]=4 8639 B13R1.28 C=CCCCCOC1CCSCC1 7a_100000731022_100011215482 [0,0,0,1,0,0|3,0,0]=4 8640 B13R1.28 C=CCCCCOC1CCSCC1 7a_100000766645_100011500858 [0,0,0,1,0,0|3,0,0]=4 8641 B13R1.28 C=CCCCCSC1CCCCC1 62a_100000210327_100011215482 [0,0,0,1,0,0|2,0,0]=3 8642 B13R1.28 C=CCCCCSC1CCCCC1 62a_100011215482_100000210327 [0,0,0,1,0,0|2,0,0]=3 8643 B13R1.28 C=CCCCCSC1CCCOC1 62a_100011215482_100000693364 [0,0,0,1,0,0|3,0,0]=4 8644 B13R1.28 C=CCCCCSC1CCOCC1 62a_100011215482_100011324220 [0,0,0,1,0,0|3,0,0]=4 8645 B13R1.28 C=CCCCCSC1CCSCC1 62a_100011215482_100000069128 [0,0,0,1,0,0|3,0,0]=4 8646 B13R1.28 C=CCCCNCC1CCCCC1 2230a_100000210473_100011713584 [0,0,0,1,0,0|2,0,0]=3 8647 B13R1.28 C=CCCCNCC1CCCCC1 2230a_100000700776_100000211423 [0,0,0,1,0,0|2,0,0]=3 8648 B13R1.28 C=CCCCNCC1CCCCC1 269862a_100000700776_100000211278 [0,0,0,1,0,0|2,0,0]=3 8649 B13R1.28 C=CCCCNCC1CCCCC1 34a_100000210473_100000757094 [0,0,0,1,0,0|2,0,0]=3 8650 B13R1.28 C=CCCCNCC1CCCCC1 34a_100000700776_100000211423 [0,0,0,1,0,0|2,0,0]=3 8651 B13R1.28 C=CCCCNCC1CCCCO1 2230a_100000174945_100011713584 [0,0,0,1,0,0|3,0,0]=4 8652 B13R1.28 C=CCCCNCC1CCCCO1 2230a_100000700776_100000211543 [0,0,0,1,0,0|3,0,0]=4 8653 B13R1.28 C=CCCCNCC1CCCCO1 34a_100000174945_100000757094 [0,0,0,1,0,0|3,0,0]=4 8654 B13R1.28 C=CCCCNCC1CCCCO1 34a_100000700776_100000211543 [0,0,0,1,0,0|3,0,0]=4 8655 B13R1.28 C=CCCCNCC1CCCOC1 2230a_100000700776_100000741521 [0,0,0,1,0,0|3,0,0]=4 8656 B13R1.28 C=CCCCNCC1CCCOC1 2230a_100000720124_100011713584 [0,0,0,1,0,0|3,0,0]=4 8657 B13R1.28 C=CCCCNCC1CCCOC1 34a_100000700776_100000741521 [0,0,0,1,0,0|3,0,0]=4 8658 B13R1.28 C=CCCCNCC1CCCOC1 34a_100000720124_100000757094 [0,0,0,1,0,0|3,0,0]=4 8659 B13R1.28 C=CCCCNCC1CCOCC1 2230a_100000700776_100000754603 [0,0,0,1,0,0|3,0,0]=4 8660 B13R1.28 C=CCCCNCC1CCOCC1 2230a_100000746373_100011713584 [0,0,0,1,0,0|3,0,0]=4 8661 B13R1.28 C=CCCCNCC1CCOCC1 269862a_100000700776_100000749017 [0,0,0,1,0,0|3,0,0]=4 8662 B13R1.28 C=CCCCNCC1CCOCC1 34a_100000700776_100000754603 [0,0,0,1,0,0|3,0,0]=4 8663 B13R1.28 C=CCCCNCC1CCOCC1 34a_100000746373_100000757094 [0,0,0,1,0,0|3,0,0]=4 8664 B13R1.28 C=CCCCNCC1CCSCC1 2230a_100015188806_100011713584 [0,0,0,1,0,0|3,0,0]=4 8665 B13R1.28 C=CCCCNCC1CCSCC1 269862a_100000700776_100000067145 [0,0,0,1,0,0|3,0,0]=4 8666 B13R1.28 C=CCCCNCC1CCSCC1 270004a_100000700776_100000067145 [0,0,0,1,0,0|3,0,0]=4 8667 B13R1.28 C=CCCCNCC1CCSCC1 34a_100015188806_100000757094 [0,0,0,1,0,0|3,0,0]=4 8668 B13R1.28 C=CCCCOCC1CCCCC1 34a_100000212181_100000757094 [0,0,0,1,0,0|2,0,0]=3 8669 B13R1.28 C=CCCCOCC1CCCCC1 34a_100000758997_100000211423 [0,0,0,1,0,0|2,0,0]=3 8670 B13R1.28 C=CCCCOCC1CCCCC1 7a_100000212181_100000757094 [0,0,0,1,0,0|2,0,0]=3 8671 B13R1.28 C=CCCCOCC1CCCCC1 7a_100000758997_100000211423 [0,0,0,1,0,0|2,0,0]=3 8672 B13R1.28 C=CCCCOCC1CCCCN1 34a_100000210821_100000757094 [0,0,0,1,0,0|3,0,0]=4 8673 B13R1.28 C=CCCCOCC1CCCCO1 34a_100000211370_100000757094 [0,0,0,1,0,0|3,0,0]=4 8674 B13R1.28 C=CCCCOCC1CCCCO1 34a_100000758997_100000211543 [0,0,0,1,0,0|3,0,0]=4 8675 B13R1.28 C=CCCCOCC1CCCCO1 7a_100000211370_100000757094 [0,0,0,1,0,0|3,0,0]=4 8676 B13R1.28 C=CCCCOCC1CCCCO1 7a_100000758997_100000211543 [0,0,0,1,0,0|3,0,0]=4 8677 B13R1.28 C=CCCCOCC1CCCNC1 34a_100000211344_100000757094 [0,0,0,1,0,0|3,0,0]=4 8678 B13R1.28 C=CCCCOCC1CCCOC1 34a_100000741520_100000757094 [0,0,0,1,0,0|3,0,0]=4 8679 B13R1.28 C=CCCCOCC1CCCOC1 34a_100000758997_100000741521 [0,0,0,1,0,0|3,0,0]=4 8680 B13R1.28 C=CCCCOCC1CCCOC1 7a_100000758997_100000741521 [0,0,0,1,0,0|3,0,0]=4 8681 B13R1.28 C=CCCCOCC1CCNCC1 34a_100000738675_100000757094 [0,0,0,1,0,0|3,0,0]=4 8682 B13R1.28 C=CCCCOCC1CCOCC1 34a_100000749013_100000757094 [0,0,0,1,0,0|3,0,0]=4 8683 B13R1.28 C=CCCCOCC1CCOCC1 34a_100000758997_100000754603 [0,0,0,1,0,0|3,0,0]=4 8684 B13R1.28 C=CCCCOCC1CCOCC1 7a_100000758997_100000754603 [0,0,0,1,0,0|3,0,0]=4 8685 B13R1.28 C=CCCCOCC1CCSCC1 34a_100000070558_100000757094 [0,0,0,1,0,0|3,0,0]=4 8686 B13R1.28 C=CCCCOCC1CCSCC1 7a_100000070558_100000757094 [0,0,0,1,0,0|3,0,0]=4 8687 B13R1.28 C=CCCCSCC1CCCCC1 62a_100000211423_100000757094 [0,0,0,1,0,0|2,0,0]=3 8688 B13R1.28 C=CCCCSCC1CCCCC1 62a_100011713584_100000211423 [0,0,0,1,0,0|2,0,0]=3 8689 B13R1.28 C=CCCCSCC1CCCCO1 62a_100000211543_100000757094 [0,0,0,1,0,0|3,0,0]=4 8690 B13R1.28 C=CCCCSCC1CCCCO1 62a_100011713584_100000211543 [0,0,0,1,0,0|3,0,0]=4 8691 B13R1.28 C=CCCCSCC1CCCOC1 62a_100000741521_100000757094 [0,0,0,1,0,0|3,0,0]=4 8692 B13R1.28 C=CCCCSCC1CCCOC1 62a_100011713584_100000741521 [0,0,0,1,0,0|3,0,0]=4 8693 B13R1.28 C=CCCCSCC1CCOCC1 62a_100000754603_100000757094 [0,0,0,1,0,0|3,0,0]=4 8694 B13R1.28 C=CCCCSCC1CCOCC1 62a_100011713584_100000749018 [0,0,0,1,0,0|3,0,0]=4 8695 B13R1.28 C=CCCNCCC1CCCCC1 2230a_100000738074_100000754431 [0,0,0,1,0,0|2,0,0]=3 8696 B13R1.28 C=CCCNCCC1CCCCC1 2230a_100015191253_100012355289 [0,0,0,1,0,0|2,0,0]=3 8697 B13R1.28 C=CCCNCCC1CCCCC1 270004a_100015191253_100011713444 [0,0,0,1,0,0|2,0,0]=3 8698 B13R1.28 C=CCCNCCC1CCCCC1 34a_100000738074_100000754431 [0,0,0,1,0,0|2,0,0]=3 8699 B13R1.28 C=CCCNCCC1CCCCO1 2230a_100015183643_100000754431 [0,0,0,1,0,0|3,0,0]=4 8700 B13R1.28 C=CCCNCCC1CCCCO1 34a_100015183643_100000754431 [0,0,0,1,0,0|3,0,0]=4 8701 B13R1.28 C=CCCNCCC1CCOCC1 2230a_100000755988_100000754431 [0,0,0,1,0,0|3,0,0]=4 8702 B13R1.28 C=CCCNCCC1CCOCC1 2230a_100015191253_100011934994 [0,0,0,1,0,0|3,0,0]=4 8703 B13R1.28 C=CCCNCCC1CCOCC1 34a_100000755988_100000754431 [0,0,0,1,0,0|3,0,0]=4 8704 B13R1.28 C=CCCNCCN1CCCCC1 2230a_100015191253_100000739454 [0,0,0,1,0,0|3,0,0]=4 8705 B13R1.28 C=CCCNCOC1CCCCC1 2230a_100015191253_100011935260 [0,0,0,1,0,0|3,0,0]=4 8706 B13R1.28 C=CCCOCCC1CCCCC1 34a_100011205117_100011209188 [0,0,0,1,0,0|2,0,0]=3 8707 B13R1.28 C=CCCOCCC1CCCCC1 34a_100011217863_100000754431 [0,0,0,1,0,0|2,0,0]=3 8708 B13R1.28 C=CCCOCCC1CCCCC1 7a_100011217863_100000754431 [0,0,0,1,0,0|2,0,0]=3 8709 B13R1.28 C=CCCOCCC1CCCCN1 34a_100000211664_100000754431 [0,0,0,1,0,0|3,0,0]=4 8710 B13R1.28 C=CCCOCCC1CCCNC1 34a_100000752241_100000754431 [0,0,0,1,0,0|3,0,0]=4 8711 B13R1.28 C=CCCOCCC1CCNCC1 34a_100015190746_100000754431 [0,0,0,1,0,0|3,0,0]=4 8712 B13R1.28 C=CCCOCCC1CCOCC1 34a_100011205117_100011934994 [0,0,0,1,0,0|3,0,0]=4 8713 B13R1.28 C=CCCOCCC1CCOCC1 34a_100011933979_100000754431 [0,0,0,1,0,0|3,0,0]=4 8714 B13R1.28 C=CCCOCCC1CCOCC1 7a_100011933979_100000754431 [0,0,0,1,0,0|3,0,0]=4 8715 B13R1.28 C=CCCOCCN1CCCCC1 34a_100011205117_100000739454 [0,0,0,1,0,0|3,0,0]=4 8716 B13R1.28 C=CCCOCOC1CCCCC1 34a_100011205117_100011935260 [0,0,0,1,0,0|3,0,0]=4 8717 B13R1.28 C=CCCSCCC1CCCCC1 62a_100000754431_100012355289 [0,0,0,1,0,0|2,0,0]=3 8718 B13R1.28 C=CCCSCCC1CCCCC1 62a_100012355289_100000754431 [0,0,0,1,0,0|2,0,0]=3 8719 B13R1.28 C=CCCSCCC1CCOCC1 62a_100000754431_100011934994 [0,0,0,1,0,0|3,0,0]=4 8720 B13R1.28 C=CCCSCCC1CCOCC1 62a_100011934994_100000754431 [0,0,0,1,0,0|3,0,0]=4 8721 B13R1.28 C=CCCSCCN1CCCCC1 62a_100000739454_100000754431 [0,0,0,1,0,0|3,0,0]=4 8722 B13R1.28 C=CCCSCCN1CCCCC1 62a_100000754431_100000739454 [0,0,0,1,0,0|3,0,0]=4 8723 B13R1.28 C=CCCSCOC1CCCCC1 62a_100000754431_100011935260 [0,0,0,1,0,0|3,0,0]=4 8724 B13R1.28 C=CCCSCOC1CCCCC1 62a_100011935260_100000754431 [0,0,0,1,0,0|3,0,0]=4 8725 B13R1.28 C=CCNCCCC1CCCCC1 2230a_100011211642_100000210623 [0,0,0,1,0,0|2,0,0]=3 8726 B13R1.28 C=CCNCCCC1CCCCC1 2230a_100020586998_100011713725 [0,0,0,1,0,0|2,0,0]=3 8727 B13R1.28 C=CCNCCCC1CCCCC1 34a_100011211642_100015514636 [0,0,0,1,0,0|2,0,0]=3 8728 B13R1.28 C=CCNCCCN1CCCCC1 2230a_100020586998_100000690320 [0,0,0,1,0,0|3,0,0]=4 8729 B13R1.28 C=CCNCCOC1CCCCC1 2230a_100020586998_100011211530 [0,0,0,1,0,0|3,0,0]=4 8730 B13R1.28 C=CCNCCOC1CCCCC1 34a_100015206981_100015514636 [0,0,0,1,0,0|3,0,0]=4 8731 B13R1.28 C=CCOCCCC1CCCCC1 34a_100000198086_100015514636 [0,0,0,1,0,0|2,0,0]=3 8732 B13R1.28 C=CCOCCCC1CCCCC1 34a_200000210373_100011713725 [0,0,0,1,0,0|2,0,0]=3 8733 B13R1.28 C=CCOCCCC1CCCCC1 7a_100000198086_100015514636 [0,0,0,1,0,0|2,0,0]=3 8734 B13R1.28 C=CCOCCCC1CCCCN1 34a_100011934581_100015514636 [0,0,0,1,0,0|3,0,0]=4 8735 B13R1.28 C=CCOCCCC1CCCNC1 34a_100150707839_100015514636 [0,0,0,1,0,0|3,0,0]=4 8736 B13R1.28 C=CCOCCCC1CCNCC1 34a_100016988962_100015514636 [0,0,0,1,0,0|3,0,0]=4 8737 B13R1.28 C=CCOCCCN1CCCCC1 34a_100000212458_100015514636 [0,0,0,1,0,0|3,0,0]=4 8738 B13R1.28 C=CCOCCCN1CCCCC1 34a_200000210373_100000690320 [0,0,0,1,0,0|3,0,0]=4 8739 B13R1.28 C=CCOCCNC1CCCCC1 34a_100000200466_100015514636 [0,0,0,1,0,0|3,0,0]=4 8740 B13R1.28 C=CCOCCOC1CCCCC1 34a_100000037705_100000210327 [0,0,0,1,0,0|3,0,0]=4 8741 B13R1.28 C=CCOCCOC1CCCCC1 34a_100011249652_100015514636 [0,0,0,1,0,0|3,0,0]=4 8742 B13R1.28 C=CCOCCOC1CCCCC1 34a_200000210373_100011211530 [0,0,0,1,0,0|3,0,0]=4 8743 B13R1.28 C=CCOCCOC1CCCCC1 7a_100000037705_100000210327 [0,0,0,1,0,0|3,0,0]=4 8744 B13R1.28 C=CCOCCOC1CCCCC1 7a_100011249652_100015514636 [0,0,0,1,0,0|3,0,0]=4 8745 B13R1.28 C=CCSCCCC1CCCCC1 62a_100000210623_100011713725 [0,0,0,1,0,0|2,0,0]=3 8746 B13R1.28 C=CCSCCCC1CCCCC1 62a_100011713725_100000210623 [0,0,0,1,0,0|2,0,0]=3 8747 B13R1.28 C=CCSCCCN1CCCCC1 62a_100000210623_100000007876 [0,0,0,1,0,0|3,0,0]=4 8748 B13R1.28 C=CCSCCCN1CCCCC1 62a_100132302099_100000210623 [0,0,0,1,0,0|3,0,0]=4 8749 B13R1.28 C=CCSCCOC1CCCCC1 62a_100000210623_100011211530 [0,0,0,1,0,0|3,0,0]=4 8750 B13R1.28 C=CCSCCOC1CCCCC1 62a_100011211530_100000210623 [0,0,0,1,0,0|3,0,0]=4 8751 B13R1.28 C=COCCCNC1CCCCC1 270004a_100000210767_100000210434 [0,0,0,1,0,0|3,0,0]=4 8752 B13R1.28 C=COCCCNC1CCCCC1 34a_100000210767_100000210327 [0,0,0,1,0,0|3,0,0]=4 8753 B13R1.28 C=COCCNCC1CCCCC1 2230a_100000210473_100000039644 [0,0,0,1,0,0|3,0,0]=4 8754 B13R1.28 C=COCCNCC1CCCCC1 34a_100000210473_100000039644 [0,0,0,1,0,0|3,0,0]=4 8755 B13R1.28 C=COCCOCC1CCCCC1 34a_100000033082_100000211423 [0,0,0,1,0,0|3,0,0]=4 8756 B13R1.28 C=COCCOCC1CCCCC1 34a_100000212181_100000039644 [0,0,0,1,0,0|3,0,0]=4 8757 B13R1.28 C=COCCOCC1CCCCC1 7a_100000212181_100000039644 [0,0,0,1,0,0|3,0,0]=4 8758 B13R1.28 C=COCCSCC1CCCCC1 62a_100000039644_100000211423 [0,0,0,1,0,0|3,0,0]=4 8759 B13R1.28 C=COCCSCC1CCCCC1 62a_100000211423_100000039644 [0,0,0,1,0,0|3,0,0]=4 8760 B13R1.28 CC=CCCCOC1CCCCC1 34a_100020645299_100000210327 [0,0,0,1,0,0|2,0,1]=4 8761 B13R1.28 CC=CCNCCC1CCCCC1 2230a_100000738074_100000070051 [0,0,0,1,0,0|2,0,1]=4 8762 B13R1.28 CC=CCNCCC1CCCCC1 34a_100000738074_100000070051 [0,0,0,1,0,0|2,0,1]=4 8763 B13R1.28 CC=CCOCCC1CCCCC1 34a_100011217863_100000070051 [0,0,0,1,0,0|2,0,1]=4 8764 B13R1.28 CC=CCOCCC1CCCCC1 7a_100011217863_100000070051 [0,0,0,1,0,0|2,0,1]=4 8765 B13R1.28 CC=CCSCCC1CCCCC1 62a_100000070051_100012355289 [0,0,0,1,0,0|2,0,1]=4 8766 B13R1.28 CC=CCSCCC1CCCCC1 62a_100012355289_100000070051 [0,0,0,1,0,0|2,0,1]=4 8767 B13R1.28 CCCCCCCN1CC=CCC1 2230a_100000698166_100000210681 [0,0,0,1,0,0|2,0,1]=4 8768 B13R1.28 CCCCCCCN1CC=CCC1 269982a_100000698166_100000210681 [0,0,0,1,0,0|2,0,1]=4 8769 B13R1.28 CCCCCCCN1CC=CCC1 34a_100000698166_100000210614 [0,0,0,1,0,0|2,0,1]=4 8770 B13R1.28 CCCCCCCN1CCCOC1 2230a_100000131196_100000210681 [0,0,0,1,0,0|3,0,0]=4 8771 B13R1.28 CCCCCCCN1CCCOC1 269982a_100000131196_100000210681 [0,0,0,1,0,0|3,0,0]=4 8772 B13R1.28 CCCCCCCN1CCCOC1 34a_100000131196_100000210614 [0,0,0,1,0,0|3,0,0]=4 8773 B13R1.28 CCCCCCNC1C=CCCC1 2230a_100000210581_100000751183 [0,0,0,1,0,0|2,0,0]=3 8774 B13R1.28 CCCCCCNC1CCCCC1 2230a_100000182618_100000210314 [0,0,0,1,0,0|2,0,1]=4 8775 B13R1.28 CCCCCCNC1CCCCC1 270004a_100000210581_100000210434 [0,0,0,1,0,0|2,0,1]=4 8776 B13R1.28 CCCCCCNC1CCCCC1 34a_100000182618_100000210314 [0,0,0,1,0,0|2,0,1]=4 8777 B13R1.28 CCCCCCNC1CCCOC1 2230a_100000719290_100000210314 [0,0,0,1,0,0|3,0,0]=4 8778 B13R1.28 CCCCCCNC1CCCOC1 270004a_100000210581_100000753404 [0,0,0,1,0,0|3,0,0]=4 8779 B13R1.28 CCCCCCNC1CCCOC1 34a_100000719290_100000210314 [0,0,0,1,0,0|3,0,0]=4 8780 B13R1.28 CCCCCCNC1CCCSC1 270004a_100000210581_100000057913 [0,0,0,1,0,0|3,0,0]=4 8781 B13R1.28 CCCCCCOC1C=CCCC1 34a_100011215024_100000210314 [0,0,0,1,0,0|2,0,0]=3 8782 B13R1.28 CCCCCCOC1C=CCCC1 7a_100000210259_100000751183 [0,0,0,1,0,0|2,0,0]=3 8783 B13R1.28 CCCCCCOC1CC=CCC1 34a_100000073881_100000210314 [0,0,0,1,0,0|2,0,1]=4 8784 B13R1.28 CCCCCCOC1CCCCC1 34a_100000210231_100000210314 [0,0,0,1,0,0|2,0,1]=4 8785 B13R1.28 CCCCCCOC1CCCCC1 34a_100000210259_100000210327 [0,0,0,1,0,0|2,0,1]=4 8786 B13R1.28 CCCCCCOC1CCCCC1 7a_100000210231_100000210314 [0,0,0,1,0,0|2,0,1]=4 8787 B13R1.28 CCCCCCOC1CCCCC1 7a_100000210259_100000210327 [0,0,0,1,0,0|2,0,1]=4 8788 B13R1.28 CCCCCCOC1CCCCO1 34a_100000033831_100000210314 [0,0,0,1,0,0|1,0,2]=4 8789 B13R1.28 CCCCCCOC1CCCOC1 34a_100000210259_100000693364 [0,0,0,1,0,0|3,0,0]=4 8790 B13R1.28 CCCCCCOC1CCCOC1 34a_100000754041_100000210314 [0,0,0,1,0,0|3,0,0]=4 8791 B13R1.28 CCCCCCOC1CCCOC1 7a_100000210259_100000693364 [0,0,0,1,0,0|3,0,0]=4 8792 B13R1.28 CCCCCCOC1CCCSC1 7a_100015962668_100000210314 [0,0,0,1,0,0|3,0,0]=4 8793 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000210314_100000751183 [0,0,0,1,0,0|2,0,0]=3 8794 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000751183_100000210757 [0,0,0,1,0,0|2,0,0]=3 8795 B13R1.28 CCCCCCSC1CCCCC1 62a_100000210314_100000210327 [0,0,0,1,0,0|2,0,1]=4 8796 B13R1.28 CCCCCCSC1CCCCC1 62a_100000210327_100000210757 [0,0,0,1,0,0|2,0,1]=4 8797 B13R1.28 CCCCCCSC1CCCOC1 62a_100000210314_100000693364 [0,0,0,1,0,0|3,0,0]=4 8798 B13R1.28 CCCCCNCC1CC=CCC1 270004a_100000209983_100000189434 [0,0,0,1,0,0|2,0,1]=4 8799 B13R1.28 CCCCCNCC1CCCCC1 2230a_100000209983_100000211423 [0,0,0,1,0,0|2,0,1]=4 8800 B13R1.28 CCCCCNCC1CCCCC1 2230a_100000210473_100000210326 [0,0,0,1,0,0|2,0,1]=4 8801 B13R1.28 CCCCCNCC1CCCCC1 269862a_100000209983_100000211278 [0,0,0,1,0,0|2,0,1]=4 8802 B13R1.28 CCCCCNCC1CCCCC1 34a_100000210473_100000718602 [0,0,0,1,0,0|2,0,1]=4 8803 B13R1.28 CCCCCNCC1CCCCO1 2230a_100000174945_100000210326 [0,0,0,1,0,0|1,0,2]=4 8804 B13R1.28 CCCCCNCC1CCCCO1 2230a_100000209983_100000211543 [0,0,0,1,0,0|1,0,2]=4 8805 B13R1.28 CCCCCNCC1CCCCO1 34a_100000174945_100000718602 [0,0,0,1,0,0|1,0,2]=4 8806 B13R1.28 CCCCCNCC1CCCOC1 2230a_100000209983_100000741521 [0,0,0,1,0,0|3,0,0]=4 8807 B13R1.28 CCCCCNCC1CCCOC1 2230a_100000720124_100000210326 [0,0,0,1,0,0|3,0,0]=4 8808 B13R1.28 CCCCCNCC1CCCOC1 34a_100000720124_100000718602 [0,0,0,1,0,0|3,0,0]=4 8809 B13R1.28 CCCCCOCC1CC=CCC1 34a_100000210713_100000718602 [0,0,0,1,0,0|2,0,1]=4 8810 B13R1.28 CCCCCOCC1CCC=CO1 34a_100011217868_100000718602 [0,0,0,1,0,0|1,0,2]=4 8811 B13R1.28 CCCCCOCC1CCCCC1 34a_100000210253_100000211423 [0,0,0,1,0,0|2,0,1]=4 8812 B13R1.28 CCCCCOCC1CCCCC1 34a_100000212181_100000718602 [0,0,0,1,0,0|2,0,1]=4 8813 B13R1.28 CCCCCOCC1CCCCC1 7a_100000210253_100000211423 [0,0,0,1,0,0|2,0,1]=4 8814 B13R1.28 CCCCCOCC1CCCCC1 7a_100000212181_100000210326 [0,0,0,1,0,0|2,0,1]=4 8815 B13R1.28 CCCCCOCC1CCCCN1 34a_100000210821_100000718602 [0,0,0,1,0,0|2,0,1]=4 8816 B13R1.28 CCCCCOCC1CCCCO1 34a_100000210253_100000211543 [0,0,0,1,0,0|1,0,2]=4 8817 B13R1.28 CCCCCOCC1CCCCO1 34a_100000211370_100000718602 [0,0,0,1,0,0|1,0,2]=4 8818 B13R1.28 CCCCCOCC1CCCCO1 7a_100000210253_100000211543 [0,0,0,1,0,0|1,0,2]=4 8819 B13R1.28 CCCCCOCC1CCCCO1 7a_100000211370_100000210326 [0,0,0,1,0,0|1,0,2]=4 8820 B13R1.28 CCCCCOCC1CCCNC1 34a_100000211344_100000718602 [0,0,0,1,0,0|3,0,0]=4 8821 B13R1.28 CCCCCOCC1CCCOC1 34a_100000210253_100000741521 [0,0,0,1,0,0|3,0,0]=4 8822 B13R1.28 CCCCCOCC1CCCOC1 34a_100000741520_100000718602 [0,0,0,1,0,0|3,0,0]=4 8823 B13R1.28 CCCCCOCC1CCCOC1 7a_100000210253_100000741521 [0,0,0,1,0,0|3,0,0]=4 8824 B13R1.28 CCCCCSCC1CCCCC1 62a_100000210326_100000211423 [0,0,0,1,0,0|2,0,1]=4 8825 B13R1.28 CCCCCSCC1CCCCC1 62a_100000211423_100000210326 [0,0,0,1,0,0|2,0,1]=4 8826 B13R1.28 CCCCCSCC1CCCCO1 62a_100000210326_100000211543 [0,0,0,1,0,0|1,0,2]=4 8827 B13R1.28 CCCCCSCC1CCCCO1 62a_100000211543_100000210326 [0,0,0,1,0,0|1,0,2]=4 8828 B13R1.28 CCCCCSCC1CCCOC1 62a_100000210326_100000741521 [0,0,0,1,0,0|3,0,0]=4 8829 B13R1.28 CCCCCSCC1CCCOC1 62a_100000741521_100000210326 [0,0,0,1,0,0|3,0,0]=4 8830 B13R1.28 CCCCNCCC1CCCCC1 2230a_100000102301_100012355289 [0,0,0,1,0,0|2,0,1]=4 8831 B13R1.28 CCCCNCCC1CCCCC1 2230a_100000738074_100000210211 [0,0,0,1,0,0|2,0,1]=4 8832 B13R1.28 CCCCNCCC1CCCCC1 270004a_100000102301_100011713444 [0,0,0,1,0,0|2,0,1]=4 8833 B13R1.28 CCCCNCCC1CCCCC1 34a_100000738074_100000210210 [0,0,0,1,0,0|2,0,1]=4 8834 B13R1.28 CCCCNCCC1CCCCC1 7a_106832991798_100011273959 [0,0,0,1,0,0|2,0,1]=4 8835 B13R1.28 CCCCNCCC1CCCCO1 2230a_100015183643_100000210211 [0,0,0,1,0,0|1,0,2]=4 8836 B13R1.28 CCCCNCCC1CCCCO1 34a_100015183643_100000210210 [0,0,0,1,0,0|1,0,2]=4 8837 B13R1.28 CCCCOCCC1CCCCC1 34a_100000210227_100011209188 [0,0,0,1,0,0|2,0,1]=4 8838 B13R1.28 CCCCOCCC1CCCCC1 34a_100011217863_100000210210 [0,0,0,1,0,0|2,0,1]=4 8839 B13R1.28 CCCCOCCC1CCCCC1 7a_100000210227_100011273959 [0,0,0,1,0,0|2,0,1]=4 8840 B13R1.28 CCCCOCCC1CCCCC1 7a_100011217863_100000210211 [0,0,0,1,0,0|2,0,1]=4 8841 B13R1.28 CCCCOCCC1CCCCN1 34a_100000211664_100000210210 [0,0,0,1,0,0|2,0,1]=4 8842 B13R1.28 CCCCOCCC1CCCNC1 34a_100000752241_100000210210 [0,0,0,1,0,0|3,0,0]=4 8843 B13R1.28 CCCCOCOC1C=CCCC1 34a_100011215024_100011995733 [0,0,0,1,0,0|3,0,0]=4 8844 B13R1.28 CCCCOCSC1C=CCCC1 62a_100000751183_100011995733 [0,0,0,1,0,0|3,0,0]=4 8845 B13R1.28 CCCCOCSC1C=CCCC1 62a_100011995733_100000751183 [0,0,0,1,0,0|3,0,0]=4 8846 B13R1.28 CCCCSCCC1CCCCC1 62a_100000210211_100012355289 [0,0,0,1,0,0|2,0,1]=4 8847 B13R1.28 CCCCSCCC1CCCCC1 62a_100012355289_100000210210 [0,0,0,1,0,0|2,0,1]=4 8848 B13R1.28 CCCNCCCC1CCCCC1 2230a_100011211642_100000210303 [0,0,0,1,0,0|2,0,1]=4 8849 B13R1.28 CCCNCCCC1CCCCC1 34a_100011211642_100000210303 [0,0,0,1,0,0|2,0,1]=4 8850 B13R1.28 CCCOCCCC1CCCCC1 34a_100000198086_100000210303 [0,0,0,1,0,0|2,0,1]=4 8851 B13R1.28 CCCOCCCC1CCCCC1 34a_100000210258_100011713725 [0,0,0,1,0,0|2,0,1]=4 8852 B13R1.28 CCCOCCCC1CCCCC1 7a_100000198086_100000210303 [0,0,0,1,0,0|2,0,1]=4 8853 B13R1.28 CCCOCCCC1CCCCN1 34a_100011934581_100000210303 [0,0,0,1,0,0|2,0,1]=4 8854 B13R1.28 CCCOCCCC1CCCNC1 34a_100150707839_100000210303 [0,0,0,1,0,0|3,0,0]=4 8855 B13R1.28 CCCOCCNC1C=CCCC1 2230a_100161115042_100000751183 [0,0,0,1,0,0|3,0,0]=4 8856 B13R1.28 CCCOCCOC1C=CCCC1 34a_100011215024_100011215938 [0,0,0,1,0,0|3,0,0]=4 8857 B13R1.28 CCCOCCOC1C=CCCC1 7a_100000752267_100000751183 [0,0,0,1,0,0|3,0,0]=4 8858 B13R1.28 CCCOCCSC1C=CCCC1 62a_100000751183_100011215938 [0,0,0,1,0,0|3,0,0]=4 8859 B13R1.28 CCCOCCSC1C=CCCC1 62a_100011215938_100000751183 [0,0,0,1,0,0|3,0,0]=4 8860 B13R1.28 CCCSCCCC1CCCCC1 62a_100000210303_100011713725 [0,0,0,1,0,0|2,0,1]=4 8861 B13R1.28 CCCSCCCC1CCCCC1 62a_100011713725_100000210303 [0,0,0,1,0,0|2,0,1]=4 8862 B13R1.28 CCCSCCNC1C=CCCC1 2230a_100020603323_100000751183 [0,0,0,1,0,0|3,0,0]=4 8863 B13R1.28 CCCSCCOC1C=CCCC1 7a_200000230433_100000751183 [0,0,0,1,0,0|3,0,0]=4 8864 B13R1.28 CCOCCCCC1CCCCC1 34a_100011215267_100000210202 [0,0,0,1,0,0|2,0,1]=4 8865 B13R1.28 CCOCCCCC1CCCCC1 7a_100011215267_100000210202 [0,0,0,1,0,0|2,0,1]=4 8866 B13R1.28 CCOCCCNC1C=CCCC1 2230a_100000210961_100000751183 [0,0,0,1,0,0|3,0,0]=4 8867 B13R1.28 CCOCCCOC1C=CCCC1 34a_100011215024_100012232248 [0,0,0,1,0,0|3,0,0]=4 8868 B13R1.28 CCOCCCOC1C=CCCC1 7a_100000757476_100000751183 [0,0,0,1,0,0|3,0,0]=4 8869 B13R1.28 CCOCCCSC1C=CCCC1 62a_100000751183_100012232248 [0,0,0,1,0,0|3,0,0]=4 8870 B13R1.28 CCOCCCSC1C=CCCC1 62a_100012232248_100000751183 [0,0,0,1,0,0|3,0,0]=4 8871 B13R1.28 CCSCCCOC1C=CCCC1 7a_100011216438_100000751183 [0,0,0,1,0,0|3,0,0]=4 8872 B13R1.28 CNCCCOCC1CCCCC1 34a_100000213112_100000211423 [0,0,0,1,0,0|3,0,0]=4 8873 B13R1.28 COCCCCCN1CCCCC1 34a_100011216611_200000210301 [0,0,0,1,0,0|3,0,0]=4 8874 B13R1.28 COCCCCCN1CCCCC1 7a_100011216611_200000210301 [0,0,0,1,0,0|3,0,0]=4 8875 B13R1.28 COCCCCNC1CCCCC1 2230a_100000182618_100000730899 [0,0,0,1,0,0|3,0,0]=4 8876 B13R1.28 COCCCCNC1CCCCC1 34a_100000182618_100000755781 [0,0,0,1,0,0|3,0,0]=4 8877 B13R1.28 COCCCCOC1C=CCCC1 34a_100011215024_100000755781 [0,0,0,1,0,0|3,0,0]=4 8878 B13R1.28 COCCCCOC1CCCCC1 34a_100000210231_100000755781 [0,0,0,1,0,0|3,0,0]=4 8879 B13R1.28 COCCCCOC1CCCCC1 34a_100000740925_100000210327 [0,0,0,1,0,0|3,0,0]=4 8880 B13R1.28 COCCCCOC1CCCCC1 7a_100000210231_100000730899 [0,0,0,1,0,0|3,0,0]=4 8881 B13R1.28 COCCCCSC1C=CCCC1 62a_100000730899_100000751183 [0,0,0,1,0,0|3,0,0]=4 8882 B13R1.28 COCCCCSC1C=CCCC1 62a_100000751183_100000730899 [0,0,0,1,0,0|3,0,0]=4 8883 B13R1.28 COCCCCSC1CCCCC1 62a_100000210327_100000730899 [0,0,0,1,0,0|3,0,0]=4 8884 B13R1.28 COCCCCSC1CCCCC1 62a_100000730899_100000210327 [0,0,0,1,0,0|3,0,0]=4 8885 B13R1.28 COCCCNCC1CCCCC1 2230a_100000210473_100000740836 [0,0,0,1,0,0|3,0,0]=4 8886 B13R1.28 COCCCNCC1CCCCC1 269862a_100150723488_100000211278 [0,0,0,1,0,0|3,0,0]=4 8887 B13R1.28 COCCCNCC1CCCCC1 34a_100000210473_100000740836 [0,0,0,1,0,0|3,0,0]=4 8888 B13R1.28 COCCCNCC1CCCCC1 34a_100150723488_100000211423 [0,0,0,1,0,0|3,0,0]=4 8889 B13R1.28 COCCCOCC1CCCCC1 34a_100000212181_100000740836 [0,0,0,1,0,0|3,0,0]=4 8890 B13R1.28 COCCCOCC1CCCCC1 34a_100000740835_100000211423 [0,0,0,1,0,0|3,0,0]=4 8891 B13R1.28 COCCCOCC1CCCCC1 7a_100000212181_100000740836 [0,0,0,1,0,0|3,0,0]=4 8892 B13R1.28 COCCCSCC1CCCCC1 62a_100000211423_100000709357 [0,0,0,1,0,0|3,0,0]=4 8893 B13R1.28 COCCCSCC1CCCCC1 62a_100000709357_100000211423 [0,0,0,1,0,0|3,0,0]=4 8894 B13R1.28 COCCNCCC1CCCCC1 2230a_100000209980_100012355289 [0,0,0,1,0,0|3,0,0]=4 8895 B13R1.28 COCCNCCC1CCCCC1 2230a_100000738074_100011201679 [0,0,0,1,0,0|3,0,0]=4 8896 B13R1.28 COCCNCCC1CCCCC1 270004a_100000209980_100011713444 [0,0,0,1,0,0|3,0,0]=4 8897 B13R1.28 COCCNCCC1CCCCC1 34a_100000738074_100011201679 [0,0,0,1,0,0|3,0,0]=4 8898 B13R1.28 COCCOCCC1CCCCC1 34a_100000210237_100011209188 [0,0,0,1,0,0|3,0,0]=4 8899 B13R1.28 COCCOCCC1CCCCC1 34a_100011217863_100011201679 [0,0,0,1,0,0|3,0,0]=4 8900 B13R1.28 COCCOCCC1CCCCC1 7a_100011217863_100000233755 [0,0,0,1,0,0|3,0,0]=4 8901 B13R1.28 COCCSCCC1CCCCC1 62a_100000233755_100012355289 [0,0,0,1,0,0|3,0,0]=4 8902 B13R1.28 COCCSCCC1CCCCC1 62a_100012355289_100000233755 [0,0,0,1,0,0|3,0,0]=4 8903 B13R1.28 COCNCCCC1CCCCC1 2230a_100011211642_100000766300 [0,0,0,1,0,0|3,0,0]=4 8904 B13R1.28 COCSCCCC1CCCCC1 62a_100000766300_100011713725 [0,0,0,1,0,0|3,0,0]=4 8905 B13R1.28 COCSCCCC1CCCCC1 62a_100011713725_100000766300 [0,0,0,1,0,0|3,0,0]=4 8906 B13R1.28 CSCCCCOC1C=CCCC1 7a_100011217163_100000751183 [0,0,0,1,0,0|3,0,0]=4 8907 B13R1.28 CSCCCCOC1CCCCC1 34a_100011217163_100000210327 [0,0,0,1,0,0|3,0,0]=4 8908 B13R1.28 CSCCCCOC1CCCCC1 7a_100011217163_100000210327 [0,0,0,1,0,0|3,0,0]=4 8909 B13R1.28 CSCCCNCC1CCCCC1 2230a_100000749238_100000211423 [0,0,0,1,0,0|3,0,0]=4 8910 B13R1.28 CSCCCNCC1CCCCC1 269862a_100000749238_100000211278 [0,0,0,1,0,0|3,0,0]=4 8911 B13R1.28 CSCCCOCC1CCCCC1 34a_100000690336_100000211423 [0,0,0,1,0,0|3,0,0]=4 8912 B13R1.28 CSCCCOCC1CCCCC1 7a_100000690336_100000211423 [0,0,0,1,0,0|3,0,0]=4 8913 B13R1.28 CSCCNCCC1CCCCC1 2230a_100000738074_100000751147 [0,0,0,1,0,0|3,0,0]=4 8914 B13R1.28 CSCCNCCC1CCCCC1 2230a_100020590264_100012355289 [0,0,0,1,0,0|3,0,0]=4 8915 B13R1.28 CSCCNCCC1CCCCC1 270004a_100020590264_100011713444 [0,0,0,1,0,0|3,0,0]=4 8916 B13R1.28 CSCCNCCC1CCCCC1 34a_100000738074_100000212216 [0,0,0,1,0,0|3,0,0]=4 8917 B13R1.28 CSCCOCCC1CCCCC1 34a_100000230434_100011209188 [0,0,0,1,0,0|3,0,0]=4 8918 B13R1.28 CSCCOCCC1CCCCC1 34a_100011217863_100000212216 [0,0,0,1,0,0|3,0,0]=4 8919 B13R1.28 CSCCOCCC1CCCCC1 7a_100000230434_100011273959 [0,0,0,1,0,0|3,0,0]=4 8920 B13R1.28 CSCCOCCC1CCCCC1 7a_100011217863_100000212216 [0,0,0,1,0,0|3,0,0]=4 8921 B13R1.28 CSCCSCCC1CCCCC1 62a_100000212216_100012355289 [0,0,0,1,0,0|3,0,0]=4 8922 B13R1.28 CSCCSCCC1CCCCC1 62a_100012355289_100000751147 [0,0,0,1,0,0|3,0,0]=4 8923 B13R1.28 CSCNCCCC1CCCCC1 2230a_100011211642_100011218213 [0,0,0,1,0,0|3,0,0]=4 8924 B13R1.28 CSCNCCCC1CCCCC1 34a_100011211642_100011218213 [0,0,0,1,0,0|3,0,0]=4 8925 B13R1.28 CSCOCCCC1CCCCC1 34a_100000198086_100011218213 [0,0,0,1,0,0|3,0,0]=4 8926 B13R1.28 CSCSCCCC1CCCCC1 62a_100011218213_100011713725 [0,0,0,1,0,0|3,0,0]=4 8927 B13R1.28 CSCSCCCC1CCCCC1 62a_100011713725_100011218213 [0,0,0,1,0,0|3,0,0]=4 8928 B13R1.28 ClCCCCCOC1C=CCCC1 7a_100000746330_100000751183 [0,0,0,1,0,0|3,0,0]=4 8929 B13R1.28 ClCCCCCOC1CCCCC1 34a_100000746330_100000210327 [0,0,0,1,0,0|2,0,1]=4 8930 B13R1.28 ClCCCCCOC1CCCCC1 7a_100000746330_100000210327 [0,0,0,1,0,0|2,0,1]=4 8931 B13R1.28 ClCCCCOCC1CCCCC1 34a_100000210776_100000211423 [0,0,0,1,0,0|2,0,1]=4 8932 B13R1.28 ClCCCCOCC1CCCCC1 7a_100000210776_100000211423 [0,0,0,1,0,0|2,0,1]=4 8933 B13R1.28 ClCCCOCCC1CCCCC1 34a_100000230001_100011209188 [0,0,0,1,0,0|2,0,1]=4 8934 B13R1.28 FCCCCCNC1CCCCC1 2230a_100000182618_100000729378 [0,0,0,1,0,0|2,0,1]=4 8935 B13R1.28 FCCCCCNC1CCCCC1 34a_100000182618_100000729378 [0,0,0,1,0,0|2,0,1]=4 8936 B13R1.28 FCCCCCOC1C=CCCC1 34a_100011215024_100000729378 [0,0,0,1,0,0|3,0,0]=4 8937 B13R1.28 FCCCCCOC1CCCCC1 34a_100000210231_100000729378 [0,0,0,1,0,0|2,0,1]=4 8938 B13R1.28 FCCCCCOC1CCCCC1 7a_100000210231_100000729378 [0,0,0,1,0,0|2,0,1]=4 8939 B13R1.28 FCCCCCSC1C=CCCC1 62a_100000729378_100000751183 [0,0,0,1,0,0|3,0,0]=4 8940 B13R1.28 FCCCCCSC1C=CCCC1 62a_100000751183_100000729378 [0,0,0,1,0,0|3,0,0]=4 8941 B13R1.28 FCCCCCSC1CCCCC1 62a_100000210327_100000729378 [0,0,0,1,0,0|2,0,1]=4 8942 B13R1.28 FCCCCCSC1CCCCC1 62a_100000729378_100000210327 [0,0,0,1,0,0|2,0,1]=4 8943 B13R1.28 FCCCCNCC1CCCCC1 2230a_100000210473_100000729493 [0,0,0,1,0,0|2,0,1]=4 8944 B13R1.28 FCCCCNCC1CCCCC1 34a_100000210473_100000729493 [0,0,0,1,0,0|2,0,1]=4 8945 B13R1.28 FCCCCOCC1CCCCC1 34a_100000212181_100000729493 [0,0,0,1,0,0|2,0,1]=4 8946 B13R1.28 FCCCCOCC1CCCCC1 34a_100011995726_100000211423 [0,0,0,1,0,0|2,0,1]=4 8947 B13R1.28 FCCCCOCC1CCCCC1 7a_100000212181_100000729493 [0,0,0,1,0,0|2,0,1]=4 8948 B13R1.28 FCCCCOCC1CCCCC1 7a_100011995726_100000211423 [0,0,0,1,0,0|2,0,1]=4 8949 B13R1.28 FCCCCSCC1CCCCC1 62a_100000211423_100000729493 [0,0,0,1,0,0|2,0,1]=4 8950 B13R1.28 FCCCCSCC1CCCCC1 62a_100000729493_100000211423 [0,0,0,1,0,0|2,0,1]=4 8951 B13R1.28 FCCCNCCC1CCCCC1 2230a_100000738074_100011934791 [0,0,0,1,0,0|2,0,1]=4 8952 B13R1.28 FCCCNCCC1CCCCC1 2230a_100015189416_100012355289 [0,0,0,1,0,0|2,0,1]=4 8953 B13R1.28 FCCCNCCC1CCCCC1 270004a_100015189416_100011713444 [0,0,0,1,0,0|2,0,1]=4 8954 B13R1.28 FCCCNCCC1CCCCC1 34a_100000738074_100011934791 [0,0,0,1,0,0|2,0,1]=4 8955 B13R1.28 FCCCNCCC1CCCCC1 34a_100015189416_100011209188 [0,0,0,1,0,0|2,0,1]=4 8956 B13R1.28 FCCCOCCC1CCCCC1 34a_100000759539_100011209188 [0,0,0,1,0,0|2,0,1]=4 8957 B13R1.28 FCCCOCCC1CCCCC1 34a_100011217863_100011934791 [0,0,0,1,0,0|2,0,1]=4 8958 B13R1.28 FCCCOCCC1CCCCC1 7a_100011217863_100011934791 [0,0,0,1,0,0|2,0,1]=4 8959 B13R1.28 FCCCSCCC1CCCCC1 62a_100011934791_100012355289 [0,0,0,1,0,0|2,0,1]=4 8960 B13R1.28 FCCCSCCC1CCCCC1 62a_100012355289_100011934791 [0,0,0,1,0,0|2,0,1]=4 8961 B13R1.28 FCCNCCCC1CCCCC1 2230a_100011211642_100011217306 [0,0,0,1,0,0|2,0,1]=4 8962 B13R1.28 FCCNCCCC1CCCCC1 34a_100000724931_100011713725 [0,0,0,1,0,0|2,0,1]=4 8963 B13R1.28 FCCNCCCC1CCCCC1 34a_100011211642_100011217306 [0,0,0,1,0,0|2,0,1]=4 8964 B13R1.28 FCCOCCCC1CCCCC1 34a_100000198086_100011217306 [0,0,0,1,0,0|2,0,1]=4 8965 B13R1.28 FCCOCCCC1CCCCC1 7a_100000198086_100011217306 [0,0,0,1,0,0|2,0,1]=4 8966 B13R1.28 FCCSCCCC1CCCCC1 62a_100011217306_100011713725 [0,0,0,1,0,0|2,0,1]=4 8967 B13R1.28 FCCSCCCC1CCCCC1 62a_100011713725_100011217306 [0,0,0,1,0,0|2,0,1]=4 8968 B13R1.28 FCOCCCCC1CCCCC1 34a_100011215267_100015361967 [0,0,0,1,0,0|2,0,1]=4 8969 B13R1.28 FCOCCCCC1CCCCC1 7a_100011215267_100015361967 [0,0,0,1,0,0|2,0,1]=4 8970 B13R1.28 ICCCCCOC1C=CCCC1 7a_200012148887_100000751183 [0,0,0,1,0,0|3,0,0]=4 8971 B13R1.28 ICCCCCOC1CCCCC1 34a_200012148887_100000210327 [0,0,0,1,0,0|2,0,1]=4 8972 B13R1.28 ICCCCCOC1CCCCC1 7a_200012148887_100000210327 [0,0,0,1,0,0|2,0,1]=4 8973 B13R1.28 ICCCCOCC1CCCCC1 34a_200012148704_100000211423 [0,0,0,1,0,0|2,0,1]=4 8974 B13R1.28 N#CCCCCNC1CCCCC1 2230a_100000182618_100000211819 [0,0,0,1,0,0|2,0,1]=4 8975 B13R1.28 N#CCCCCNC1CCCCC1 270004a_100000751965_100000210434 [0,0,0,1,0,0|2,0,1]=4 8976 B13R1.28 N#CCCCCOC1CCCCC1 7a_100000210231_100000211819 [0,0,0,1,0,0|2,0,1]=4 8977 B13R1.28 N#CCCCCSC1CCCCC1 62a_100000210327_100000211819 [0,0,0,1,0,0|2,0,1]=4 8978 B13R1.28 N#CCCCCSC1CCCCC1 62a_100011219923_100000210327 [0,0,0,1,0,0|2,0,1]=4 8979 B13R1.28 N#CCCCNCC1CCCCC1 2230a_100000210473_100000687738 [0,0,0,1,0,0|2,0,1]=4 8980 B13R1.28 N#CCCCOCC1CCCCC1 7a_100000212181_100000687738 [0,0,0,1,0,0|2,0,1]=4 8981 B13R1.28 N#CCCCSCC1CCCCC1 62a_100000211423_100000687738 [0,0,0,1,0,0|2,0,1]=4 8982 B13R1.28 N#CCCCSCC1CCCCC1 62a_100000687738_100000211423 [0,0,0,1,0,0|2,0,1]=4 8983 B13R1.28 N#CCCNCCC1CCCCC1 2230a_100000738074_100011215226 [0,0,0,1,0,0|2,0,1]=4 8984 B13R1.28 N#CCCNCCC1CCCCC1 270004a_100000720768_100011713444 [0,0,0,1,0,0|2,0,1]=4 8985 B13R1.28 N#CCCOCCC1CCCCC1 7a_100011217863_100000184422 [0,0,0,1,0,0|2,0,1]=4 8986 B13R1.28 N#CCCSCCC1CCCCC1 62a_100011215226_100012355289 [0,0,0,1,0,0|2,0,1]=4 8987 B13R1.28 N#CCCSCCC1CCCCC1 62a_100012355289_100011215226 [0,0,0,1,0,0|2,0,1]=4 8988 B13R1.28 N#CCNCCCC1CCCCC1 2230a_100011211642_100011215382 [0,0,0,1,0,0|2,0,1]=4 8989 B13R1.28 N#CCOCCCC1CCCCC1 7a_100000198086_100011215382 [0,0,0,1,0,0|2,0,1]=4 8990 B13R1.28 N#CCSCCCC1CCCCC1 62a_100011215382_100011713725 [0,0,0,1,0,0|2,0,1]=4 8991 B13R1.28 N#CCSCCCC1CCCCC1 62a_100011713725_100011215382 [0,0,0,1,0,0|2,0,1]=4 8992 B13R1.28 NCCCCCOC1CCCCC1 34a_100000762737_100000210327 [0,0,0,1,0,0|2,0,1]=4 8993 B13R1.28 NCCCCOCC1CCCCC1 34a_100000750430_100000211423 [0,0,0,1,0,0|2,0,1]=4 8994 B13R1.28 NCCCOCCC1CCCCC1 34a_100000182051_100011209188 [0,0,0,1,0,0|2,0,1]=4 8995 B13R1.28 NCCOCCCC1CCCCC1 34a_100000210304_100011713725 [0,0,0,1,0,0|2,0,1]=4 8996 B13R1.28 NOCCOCCC1CCCCC1 34a_100000700252_100011209188 [0,0,0,1,0,0|3,0,0]=4 8997 B13R1.28 O=CCCCCCN1CC=CCC1 2230a_100000698166_100000139337 [0,0,0,1,0,0|1,0,2]=4 8998 B13R1.28 O=CCCCCCN1CC=CCC1 269982a_100000698166_100000139337 [0,0,0,1,0,0|1,0,2]=4 8999 B13R1.28 O=CCCCCCN1CCCOC1 2230a_100000131196_100000139337 [0,0,0,1,0,0|2,0,0]=3 9000 B13R1.28 O=CCCCCCN1CCCOC1 269982a_100000131196_100000139337 [0,0,0,1,0,0|2,0,0]=3 9001 B13R1.28 O=CCCCCCN1CCOCC1 2230a_100015191051_100000139337 [0,0,0,1,0,0|2,0,0]=3 9002 B13R1.28 O=CCCCCCN1CCOCC1 269982a_100015191051_100000139337 [0,0,0,1,0,0|2,0,0]=3 9003 B13R1.28 O=CCCCCCN1CCSCC1 2230a_100000737611_100000139337 [0,0,0,1,0,0|2,0,0]=3 9004 B13R1.28 O=CCCCCCN1CCSCC1 269982a_100000737611_100000139337 [0,0,0,1,0,0|2,0,0]=3 9005 B13R1.28 O=CCCCCNC1CCCCC1 2230a_100000182618_100000139335 [0,0,0,1,0,0|1,0,0]=2 9006 B13R1.28 O=CCCCCNC1CCCOC1 2230a_100000719290_100000139335 [0,0,0,1,0,0|2,0,0]=3 9007 B13R1.28 O=CCCCCNC1CCOCC1 2230a_100000741149_100000139335 [0,0,0,1,0,0|2,0,0]=3 9008 B13R1.28 O=CCCCCNC1CCSCC1 2230a_100000748639_100000139335 [0,0,0,1,0,0|2,0,0]=3 9009 B13R1.28 O=CCCCCOC1CCCCC1 7a_100000210231_100000139335 [0,0,0,1,0,0|1,0,0]=2 9010 B13R1.28 O=CCCCCOC1CCCSC1 7a_100015962668_100000139335 [0,0,0,1,0,0|2,0,0]=3 9011 B13R1.28 O=CCCCCOC1CCSCC1 7a_100000731022_100000139335 [0,0,0,1,0,0|2,0,0]=3 9012 B13R1.28 O=CCCCCSC1C=CCCC1 62a_100000139335_100000751183 [0,0,0,1,0,0|1,0,2]=4 9013 B13R1.28 O=CCCCCSC1C=CCCC1 62a_100000751183_100000139335 [0,0,0,1,0,0|1,0,2]=4 9014 B13R1.28 O=CCCCCSC1CCCCC1 62a_100000139335_100000210327 [0,0,0,1,0,0|1,0,0]=2 9015 B13R1.28 O=CCCCCSC1CCCCC1 62a_100000210327_100000139335 [0,0,0,1,0,0|1,0,0]=2 9016 B13R1.28 O=CCCCCSC1CCCOC1 62a_100000139335_100000693364 [0,0,0,1,0,0|2,0,0]=3 9017 B13R1.28 O=CCCCCSC1CCOCC1 62a_100000139335_100011324220 [0,0,0,1,0,0|2,0,0]=3 9018 B13R1.28 O=CCCCCSC1CCSCC1 62a_100000139335_100000069128 [0,0,0,1,0,0|2,0,0]=3 9019 B13R1.28 O=CCCCNCC1CCCCC1 2230a_100000210473_200011292268 [0,0,0,1,0,0|1,0,0]=2 9020 B13R1.28 O=CCCCNCC1CCCCO1 2230a_100000174945_200011292268 [0,0,0,1,0,0|2,0,0]=3 9021 B13R1.28 O=CCCCNCC1CCCOC1 2230a_100000720124_200011292268 [0,0,0,1,0,0|2,0,0]=3 9022 B13R1.28 O=CCCCNCC1CCOCC1 2230a_100000746373_200011292268 [0,0,0,1,0,0|2,0,0]=3 9023 B13R1.28 O=CCCCNCC1CCSCC1 2230a_100015188806_200011292268 [0,0,0,1,0,0|2,0,0]=3 9024 B13R1.28 O=CCCCNC[C@H]1COCCO1 2230a_100010981119_200011292268 [0,0,0,1,0,0|3,0,0]=4 9025 B13R1.28 O=CCCCOCC1CCCCC1 7a_100000212181_200011292268 [0,0,0,1,0,0|1,0,0]=2 9026 B13R1.28 O=CCCCOCC1CCCCO1 7a_100000211370_200011292268 [0,0,0,1,0,0|2,0,0]=3 9027 B13R1.28 O=CCCCOCC1CCSCC1 7a_100000070558_200011292268 [0,0,0,1,0,0|2,0,0]=3 9028 B13R1.28 O=CCCCSCC1CCCCC1 62a_100000211423_200011292268 [0,0,0,1,0,0|1,0,0]=2 9029 B13R1.28 O=CCCCSCC1CCCCC1 62a_200011292268_100000211423 [0,0,0,1,0,0|1,0,0]=2 9030 B13R1.28 O=CCCCSCC1CCCCO1 62a_100000211543_200011292268 [0,0,0,1,0,0|2,0,0]=3 9031 B13R1.28 O=CCCCSCC1CCCCO1 62a_200011292268_100000211543 [0,0,0,1,0,0|2,0,0]=3 9032 B13R1.28 O=CCCCSCC1CCCOC1 62a_100000741521_200011292268 [0,0,0,1,0,0|2,0,0]=3 9033 B13R1.28 O=CCCCSCC1CCCOC1 62a_200011292268_100000741521 [0,0,0,1,0,0|2,0,0]=3 9034 B13R1.28 O=CCCCSCC1CCOCC1 62a_100000754603_200011292268 [0,0,0,1,0,0|2,0,0]=3 9035 B13R1.28 O=CCCCSCC1CCOCC1 62a_200011292268_100000749018 [0,0,0,1,0,0|2,0,0]=3 9036 B13R1.28 O=CCNCCCC1CCCCC1 2230a_100011211642_200015260668 [0,0,0,1,0,0|1,0,0]=2 9037 B13R1.28 O=CCNCCCC1CCCCC1 34a_100011211642_200009817547 [0,0,0,1,0,0|1,0,0]=2 9038 B13R1.28 O=CCNCCOC1CCCCC1 34a_100015206981_200009817547 [0,0,0,1,0,0|2,0,0]=3 9039 B13R1.28 O=CCOCCCC1CCCCC1 34a_100000198086_200009817547 [0,0,0,1,0,0|1,0,0]=2 9040 B13R1.28 O=CCOCCCC1CCCCC1 7a_100000198086_200015260668 [0,0,0,1,0,0|1,0,0]=2 9041 B13R1.28 O=CCOCCCC1CCCCN1 34a_100011934581_200009817547 [0,0,0,1,0,0|2,0,0]=3 9042 B13R1.28 O=CCOCCCC1CCCNC1 34a_100150707839_200009817547 [0,0,0,1,0,0|2,0,0]=3 9043 B13R1.28 O=CCOCCCC1CCNCC1 34a_100016988962_200009817547 [0,0,0,1,0,0|2,0,0]=3 9044 B13R1.28 O=CCOCCCN1CCCCC1 34a_100000212458_200009817547 [0,0,0,1,0,0|2,0,0]=3 9045 B13R1.28 O=CCOCCCN1CCOCC1 34a_100000212840_200009817547 [0,0,0,1,0,0|3,0,0]=4 9046 B13R1.28 O=CCOCCNC1CCCCC1 34a_100000200466_200009817547 [0,0,0,1,0,0|2,0,0]=3 9047 B13R1.28 O=CCOCCNC1CCOCC1 34a_100000708129_200009817547 [0,0,0,1,0,0|3,0,0]=4 9048 B13R1.28 O=CCOCCOC1CCCCC1 34a_100011249652_200009817547 [0,0,0,1,0,0|2,0,0]=3 9049 B13R1.28 O=CCOCCOC1CCCCC1 7a_100011249652_200015260668 [0,0,0,1,0,0|2,0,0]=3 9050 B13R1.28 O=CCOCCOC1CCCCO1 34a_100000034223_200009817547 [0,0,0,1,0,0|3,0,0]=4 9051 B13R1.28 O=CCOCCOC1CCCCO1 7a_100000034223_200015260668 [0,0,0,1,0,0|3,0,0]=4 9052 B13R1.28 O=CCSCCCC1CCCCC1 62a_100011713725_200015260668 [0,0,0,1,0,0|1,0,0]=2 9053 B13R1.28 O=CCSCCCC1CCCCC1 62a_200015260668_100011713725 [0,0,0,1,0,0|1,0,0]=2 9054 B13R1.28 O=CCSCCCN1CCCCC1 62a_100132302099_200015260668 [0,0,0,1,0,0|2,0,0]=3 9055 B13R1.28 O=CCSCCCN1CCCCC1 62a_200015260668_100000007876 [0,0,0,1,0,0|2,0,0]=3 9056 B13R1.28 O=CCSCCCN1CCOCC1 62a_200015260668_100000748698 [0,0,0,1,0,0|3,0,0]=4 9057 B13R1.28 O=CCSCCOC1CCCCC1 62a_100011211530_200015260668 [0,0,0,1,0,0|2,0,0]=3 9058 B13R1.28 O=CCSCCOC1CCCCC1 62a_200015260668_100011211530 [0,0,0,1,0,0|2,0,0]=3 9059 B13R1.28 O=CCSCCOC1CCCCO1 62a_100000744793_200015260668 [0,0,0,1,0,0|3,0,0]=4 9060 B13R1.28 O=CCSCCOC1CCCCO1 62a_200015260668_100000744793 [0,0,0,1,0,0|3,0,0]=4 9061 B13R1.28 OCCCCCNC1C=CCCC1 2230a_100000762737_100000751183 [0,0,0,1,0,0|3,0,0]=4 9062 B13R1.28 OCCCCCNC1CCCCC1 2230a_100000182618_100000746330 [0,0,0,1,0,0|1,0,2]=4 9063 B13R1.28 OCCCCCNC1CCCCC1 270004a_100000762737_100000210434 [0,0,0,1,0,0|1,0,2]=4 9064 B13R1.28 OCCCCCNC1CCCCC1 34a_100000182618_100000746330 [0,0,0,1,0,0|1,0,2]=4 9065 B13R1.28 OCCCCCNC1CCCCC1 34a_100000762737_100000210327 [0,0,0,1,0,0|1,0,2]=4 9066 B13R1.28 OCCCCCOC1C=CCCC1 34a_100011215024_100000746330 [0,0,0,1,0,0|3,0,0]=4 9067 B13R1.28 OCCCCCOC1CCCCC1 34a_100000210231_100000746330 [0,0,0,1,0,0|1,0,2]=4 9068 B13R1.28 OCCCCCOC1CCCCC1 7a_100000210231_100000746330 [0,0,0,1,0,0|1,0,2]=4 9069 B13R1.28 OCCCCCSC1C=CCCC1 62a_100000746330_100000751183 [0,0,0,1,0,0|3,0,0]=4 9070 B13R1.28 OCCCCCSC1C=CCCC1 62a_100000751183_100000746330 [0,0,0,1,0,0|3,0,0]=4 9071 B13R1.28 OCCCCCSC1CCCCC1 62a_100000210327_100000746330 [0,0,0,1,0,0|1,0,2]=4 9072 B13R1.28 OCCCCCSC1CCCCC1 62a_100000746330_100000210327 [0,0,0,1,0,0|1,0,2]=4 9073 B13R1.28 OCCCCNCC1CCCCC1 2230a_100000210473_100000210776 [0,0,0,1,0,0|1,0,2]=4 9074 B13R1.28 OCCCCNCC1CCCCC1 2230a_100000750430_100000211423 [0,0,0,1,0,0|1,0,2]=4 9075 B13R1.28 OCCCCNCC1CCCCC1 269862a_100000750430_100000211278 [0,0,0,1,0,0|1,0,2]=4 9076 B13R1.28 OCCCCNCC1CCCCC1 34a_100000210473_100011216708 [0,0,0,1,0,0|1,0,2]=4 9077 B13R1.28 OCCCCNCC1CCCCC1 34a_100000750430_100000211423 [0,0,0,1,0,0|1,0,2]=4 9078 B13R1.28 OCCCCOCC1CCCCC1 34a_100000212181_100011216708 [0,0,0,1,0,0|1,0,2]=4 9079 B13R1.28 OCCCCOCC1CCCCC1 7a_100000212181_100000210776 [0,0,0,1,0,0|1,0,2]=4 9080 B13R1.28 OCCCCSCC1CCCCC1 62a_100000210776_100000211423 [0,0,0,1,0,0|1,0,2]=4 9081 B13R1.28 OCCCCSCC1CCCCC1 62a_100000211423_100000210776 [0,0,0,1,0,0|1,0,2]=4 9082 B13R1.28 OCCCNCCC1CCCCC1 2230a_100000738074_100000230001 [0,0,0,1,0,0|1,0,2]=4 9083 B13R1.28 OCCCNCCC1CCCCC1 270004a_100000182051_100011713444 [0,0,0,1,0,0|1,0,2]=4 9084 B13R1.28 OCCCNCCC1CCCCC1 34a_100000738074_100000230001 [0,0,0,1,0,0|1,0,2]=4 9085 B13R1.28 OCCCOCCC1CCCCC1 34a_100011217863_100000230001 [0,0,0,1,0,0|1,0,2]=4 9086 B13R1.28 OCCCOCCC1CCCCC1 7a_100011217863_100011215043 [0,0,0,1,0,0|1,0,2]=4 9087 B13R1.28 OCCCSCCC1CCCCC1 62a_100011215043_100012355289 [0,0,0,1,0,0|1,0,2]=4 9088 B13R1.28 OCCCSCCC1CCCCC1 62a_100012355289_100011215043 [0,0,0,1,0,0|1,0,2]=4 9089 B13R1.28 OCCNCCCC1CCCCC1 2230a_100011211642_100000211926 [0,0,0,1,0,0|1,0,2]=4 9090 B13R1.28 OCCNCCCC1CCCCC1 2230a_100016997473_100011713725 [0,0,0,1,0,0|1,0,2]=4 9091 B13R1.28 OCCNCCCC1CCCCC1 34a_100011211642_100000211926 [0,0,0,1,0,0|1,0,2]=4 9092 B13R1.28 OCCNCCCC1CCCCC1 34a_100016990907_100011713725 [0,0,0,1,0,0|1,0,2]=4 9093 B13R1.28 OCCOCCCC1CCCCC1 34a_100000198086_100000211926 [0,0,0,1,0,0|1,0,2]=4 9094 B13R1.28 OCCOCCCC1CCCCC1 7a_100000198086_100000211926 [0,0,0,1,0,0|1,0,2]=4 9095 B13R1.28 OCCSCCCC1CCCCC1 62a_100000211926_100011713725 [0,0,0,1,0,0|1,0,2]=4 9096 B13R1.28 OCCSCCCC1CCCCC1 62a_100011713725_100000211926 [0,0,0,1,0,0|1,0,2]=4 9097 B13R1.28 [13CH3]OCCCCCN1CCCCC1 34a_100011216611_200025704644 [0,0,0,1,0,0|3,0,0]=4 9098 B13R1.28 [13CH3]OCCCCCN1CCCCC1 7a_100011216611_200025704644 [0,0,0,1,0,0|3,0,0]=4 9099 B13R1.34 C#CCCSC1CCCCCC1=O 62a_100000243696_100000688953 [0,0,0,1,0,0|1,0,2]=4 9100 B13R1.34 C#CCCSC1CCCCCC1=O 62a_100000688953_100000243696 [0,0,0,1,0,0|1,0,2]=4 9101 B13R1.34 C/C=C/CSC1CCCCCC1=O 62a_100000243696_100102629194 [0,0,0,1,0,0|1,0,2]=4 9102 B13R1.34 C/C=C/CSC1CCCCCC1=O 62a_100102629194_100000243696 [0,0,0,1,0,0|1,0,2]=4 9103 B13R1.34 C=CCCSC1CCCCCC1=O 62a_100000243696_100000754431 [0,0,0,1,0,0|1,0,2]=4 9104 B13R1.34 C=CCCSC1CCCCCC1=O 62a_100000754431_100000243696 [0,0,0,1,0,0|1,0,2]=4 9105 B13R1.34 CC#CCSC1CCCCCC1=O 62a_100000243696_100000748600 [0,0,0,1,0,0|1,0,2]=4 9106 B13R1.34 CC#CCSC1CCCCCC1=O 62a_100000748600_100000243696 [0,0,0,1,0,0|1,0,2]=4 9107 B13R1.34 CC=CCSC1CCCCCC1=O 62a_100000070051_100000243696 [0,0,0,1,0,0|1,0,2]=4 9108 B13R1.34 CC=CCSC1CCCCCC1=O 62a_100000243696_100000070051 [0,0,0,1,0,0|1,0,2]=4 9109 B13R1.34 CCCCNC1CCCCCC1=O 7a_106832991798_100000243696 [0,0,0,1,0,0|1,0,0]=2 9110 B13R1.34 CCCCNC1CCCCNC1=O 2230a_100000102301_100000735217 [0,0,0,1,0,0|2,0,0]=3 9111 B13R1.34 CCCCNC1CCCCNC1=O 2230a_100000698827_100000210211 [0,0,0,1,0,0|2,0,0]=3 9112 B13R1.34 CCCCNC1CCCCNC1=O 34a_100000698827_100000210210 [0,0,0,1,0,0|2,0,0]=3 9113 B13R1.34 CCCCNC1CCCCNC1=O 7a_106832991798_100000735217 [0,0,0,1,0,0|2,0,0]=3 9114 B13R1.34 CCCCOC1CCCCCC1=O 7a_100000210227_100000243696 [0,0,0,1,0,0|1,0,0]=2 9115 B13R1.34 CCCCOC1CCCCNC1=O 7a_100000210227_100000735217 [0,0,0,1,0,0|2,0,0]=3 9116 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000210211_100000243696 [0,0,0,1,0,0|1,0,0]=2 9117 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000243696_100000210210 [0,0,0,1,0,0|1,0,0]=2 9118 B13R1.34 CCCCSC1CCCCNC1=O 62a_100000210211_100000735217 [0,0,0,1,0,0|2,0,0]=3 9119 B13R1.34 CCCCSC1CCCCNC1=O 62a_100000735217_100000210210 [0,0,0,1,0,0|2,0,0]=3 9120 B13R1.34 CCOCSC1CCCCCC1=O 62a_100000243696_100000739092 [0,0,0,1,0,0|2,0,0]=3 9121 B13R1.34 CCOCSC1CCCCCC1=O 62a_100000739092_100000243696 [0,0,0,1,0,0|2,0,0]=3 9122 B13R1.34 CCOCSC1CCCCNC1=O 62a_100000735217_100000739092 [0,0,0,1,0,0|3,0,0]=4 9123 B13R1.34 CCOCSC1CCCCNC1=O 62a_100000739092_100000735217 [0,0,0,1,0,0|3,0,0]=4 9124 B13R1.34 CNCCCN1CCCCCC1=O 2230a_100000195386_200000210301 [0,0,0,1,0,0|2,0,0]=3 9125 B13R1.34 CNCCCN1CCCCCC1=O 34a_100000195386_200000210301 [0,0,0,1,0,0|2,0,0]=3 9126 B13R1.34 COCCNC1CCCCNC1=O 2230a_100000209980_100000735217 [0,0,0,1,0,0|3,0,0]=4 9127 B13R1.34 COCCNC1CCCCNC1=O 2230a_100000698827_100011201679 [0,0,0,1,0,0|3,0,0]=4 9128 B13R1.34 COCCNC1CCCCNC1=O 34a_100000698827_100011201679 [0,0,0,1,0,0|3,0,0]=4 9129 B13R1.34 COCCSC1CCCCCC1=O 62a_100000233755_100000243696 [0,0,0,1,0,0|2,0,0]=3 9130 B13R1.34 COCCSC1CCCCCC1=O 62a_100000243696_100000233755 [0,0,0,1,0,0|2,0,0]=3 9131 B13R1.34 COCCSC1CCCCNC1=O 62a_100000233755_100000735217 [0,0,0,1,0,0|3,0,0]=4 9132 B13R1.34 COCCSC1CCCCNC1=O 62a_100000735217_100000233755 [0,0,0,1,0,0|3,0,0]=4 9133 B13R1.34 CSCCNC1CCCCNC1=O 2230a_100000698827_100000751147 [0,0,0,1,0,0|3,0,0]=4 9134 B13R1.34 CSCCNC1CCCCNC1=O 2230a_100020590264_100000735217 [0,0,0,1,0,0|3,0,0]=4 9135 B13R1.34 CSCCNC1CCCCNC1=O 34a_100000698827_100000212216 [0,0,0,1,0,0|3,0,0]=4 9136 B13R1.34 CSCCOC1CCCCCC1=O 7a_100000230434_100000243696 [0,0,0,1,0,0|2,0,0]=3 9137 B13R1.34 CSCCOC1CCCCNC1=O 7a_100000230434_100000735217 [0,0,0,1,0,0|3,0,0]=4 9138 B13R1.34 CSCCSC1CCCCCC1=O 62a_100000212216_100000243696 [0,0,0,1,0,0|2,0,0]=3 9139 B13R1.34 CSCCSC1CCCCCC1=O 62a_100000243696_100000751147 [0,0,0,1,0,0|2,0,0]=3 9140 B13R1.34 CSCCSC1CCCCNC1=O 62a_100000212216_100000735217 [0,0,0,1,0,0|3,0,0]=4 9141 B13R1.34 CSCCSC1CCCCNC1=O 62a_100000735217_100000751147 [0,0,0,1,0,0|3,0,0]=4 9142 B13R1.34 N#CCCSC1CCCCCC1=O 62a_100000243696_100011215226 [0,0,0,1,0,0|2,0,1]=4 9143 B13R1.34 N#CCCSC1CCCCCC1=O 62a_100011215226_100000243696 [0,0,0,1,0,0|2,0,1]=4 9144 B13R1.34 O=C1CCCCCC1SCCCF 62a_100000243696_100011934791 [0,0,0,1,0,0|2,0,0]=3 9145 B13R1.34 O=C1CCCCCC1SCCCF 62a_100011934791_100000243696 [0,0,0,1,0,0|2,0,0]=3 9146 B13R1.34 O=C1CCCCCC1SCCCO 62a_100000243696_100011215043 [0,0,0,1,0,0|2,0,0]=3 9147 B13R1.34 O=C1CCCCCC1SCCCO 62a_100011215043_100000243696 [0,0,0,1,0,0|2,0,0]=3 9148 B13R1.34 O=C1NCCCCC1NCCCF 2230a_100000698827_100011934791 [0,0,0,1,0,0|3,0,0]=4 9149 B13R1.34 O=C1NCCCCC1NCCCF 2230a_100015189416_100000735217 [0,0,0,1,0,0|3,0,0]=4 9150 B13R1.34 O=C1NCCCCC1NCCCF 34a_100000698827_100011934791 [0,0,0,1,0,0|3,0,0]=4 9151 B13R1.34 O=C1NCCCCC1NCCCO 2230a_100000698827_100000230001 [0,0,0,1,0,0|3,0,0]=4 9152 B13R1.34 O=C1NCCCCC1NCCCO 34a_100000698827_100000230001 [0,0,0,1,0,0|3,0,0]=4 9153 B13R1.34 O=C1NCCCCC1SCCCF 62a_100000735217_100011934791 [0,0,0,1,0,0|3,0,0]=4 9154 B13R1.34 O=C1NCCCCC1SCCCF 62a_100011934791_100000735217 [0,0,0,1,0,0|3,0,0]=4 9155 B13R1.34 O=C1NCCCCC1SCCCO 62a_100000735217_100011215043 [0,0,0,1,0,0|3,0,0]=4 9156 B13R1.34 O=C1NCCCCC1SCCCO 62a_100011215043_100000735217 [0,0,0,1,0,0|3,0,0]=4 9157 B13R1.34 [13CH3]NCCCN1CCCCCC1=O 2230a_100000195386_200025704644 [0,0,0,1,0,0|2,0,0]=3 9158 B13R1.34 [13CH3]NCCCN1CCCCCC1=O 34a_100000195386_200025704644 [0,0,0,1,0,0|2,0,0]=3 9159 B13R1.84 C#CC1CCCCN1CCCC=O 2230a_200020621307_200011292268 [0,0,0,1,0,0|1,0,2]=4 9160 B13R1.84 C#CC1CCCCN1CCCC=O 269982a_200020621307_200011292268 [0,0,0,1,0,0|1,0,2]=4 9161 B13R1.84 C#CC1CCCCN1CCCCC 2230a_200020621307_100000210326 [0,0,0,1,0,0|2,0,1]=4 9162 B13R1.84 C#CC1CCCCN1CCCCC 269982a_200020621307_100000210215 [0,0,0,1,0,0|2,0,1]=4 9163 B13R1.84 C#CC1CCCCN1CCCCC 34a_200020621307_100000718602 [0,0,0,1,0,0|2,0,1]=4 9164 B13R1.84 C#CCCCN1CCCCC1CC 2230a_100000210034_100000731252 [0,0,0,1,0,0|2,0,1]=4 9165 B13R1.84 C#CCCCN1CCCCC1CC 269982a_100000210034_100011215417 [0,0,0,1,0,0|2,0,1]=4 9166 B13R1.84 C#CCCCN1CCCCC1CC 34a_100000210034_100000695029 [0,0,0,1,0,0|2,0,1]=4 9167 B13R1.84 C#CCCOC1CCCCC1CC 34a_100000210738_100000688953 [0,0,0,1,0,0|2,0,1]=4 9168 B13R1.84 C#CCCOC1CCCCC1CC 7a_100000210738_100000688953 [0,0,0,1,0,0|2,0,1]=4 9169 B13R1.84 C/C=C/COC1CCCCC1CC 34a_100000210738_100102629194 [0,0,0,1,0,0|2,0,1]=4 9170 B13R1.84 C/C=C/COC1CCCCC1CC 7a_100000210738_100102629194 [0,0,0,1,0,0|2,0,1]=4 9171 B13R1.84 C=CCCCN1CCCCC1CC 2230a_100000210034_100011713584 [0,0,0,1,0,0|2,0,0]=3 9172 B13R1.84 C=CCCCN1CCCCC1CC 269982a_100000210034_100000757094 [0,0,0,1,0,0|2,0,0]=3 9173 B13R1.84 C=CCCCN1CCCCC1CC 34a_100000210034_100000757094 [0,0,0,1,0,0|2,0,0]=3 9174 B13R1.84 C=CCCCN1CCCCC1CO 2230a_100000210821_100011713584 [0,0,0,1,0,0|3,0,0]=4 9175 B13R1.84 C=CCCCN1CCCCC1CO 269982a_100000210821_100000757094 [0,0,0,1,0,0|3,0,0]=4 9176 B13R1.84 C=CCCCN1CCCCC1CO 34a_100000210821_100000757094 [0,0,0,1,0,0|3,0,0]=4 9177 B13R1.84 C=CCCCN1CCOC[C@@H]1CC 2230a_100016988097_100011713584 [0,0,0,1,0,0|3,0,0]=4 9178 B13R1.84 C=CCCCN1CCOC[C@@H]1CC 269982a_100016988097_100000757094 [0,0,0,1,0,0|3,0,0]=4 9179 B13R1.84 C=CCCCN1CCOC[C@@H]1CC 34a_100016988097_100000757094 [0,0,0,1,0,0|3,0,0]=4 9180 B13R1.84 C=CCCNC1CCCCC1CC 269862a_100015191253_100000757040 [0,0,0,1,0,0|2,0,0]=3 9181 B13R1.84 C=CCCNC1CCCCC1CC 270004a_100015191253_100000757040 [0,0,0,1,0,0|2,0,0]=3 9182 B13R1.84 C=CCCNC1CCCCC1CO 270004a_100015191253_100009861125 [0,0,0,1,0,0|3,0,0]=4 9183 B13R1.84 C=CCCNC1CCCCC1OC 270004a_100015191253_100000740605 [0,0,0,1,0,0|3,0,0]=4 9184 B13R1.84 C=CCCNC1CCCCC1OC 34a_100011208099_100000754431 [0,0,0,1,0,0|3,0,0]=4 9185 B13R1.84 C=CCCOC1CCCCC1CC 34a_100000210738_100000754431 [0,0,0,1,0,0|2,0,0]=3 9186 B13R1.84 C=CCCOC1CCCCC1CC 7a_100000210738_100000754431 [0,0,0,1,0,0|2,0,0]=3 9187 B13R1.84 C=CCCOC1CCCCC1CN 34a_100011216029_100000754431 [0,0,0,1,0,0|3,0,0]=4 9188 B13R1.84 C=CCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000754431 [0,0,0,1,0,0|3,0,0]=4 9189 B13R1.84 C=CCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000754431 [0,0,0,1,0,0|3,0,0]=4 9190 B13R1.84 C=CCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000754431 [0,0,0,1,0,0|3,0,0]=4 9191 B13R1.84 C=CCNCC1CCCCN1CC 2230a_100000754393_100000210623 [0,0,0,1,0,0|3,0,0]=4 9192 B13R1.84 C=CCNCC1CCCCN1CC 34a_100000754393_100015514636 [0,0,0,1,0,0|3,0,0]=4 9193 B13R1.84 C=CCOCC1CCCCN1CC 34a_100000225091_100015514636 [0,0,0,1,0,0|3,0,0]=4 9194 B13R1.84 C=CCOCC1CCCCN1CC 7a_100000225091_100015514636 [0,0,0,1,0,0|3,0,0]=4 9195 B13R1.84 C=COCCN1CCCCC1CC 2230a_100000210034_100000039644 [0,0,0,1,0,0|3,0,0]=4 9196 B13R1.84 C=COCCN1CCCCC1CC 269982a_100000210034_100000039644 [0,0,0,1,0,0|3,0,0]=4 9197 B13R1.84 C=COCCN1CCCCC1CC 34a_100000210034_100000039644 [0,0,0,1,0,0|3,0,0]=4 9198 B13R1.84 CC=CCOC1CCCCC1CC 34a_100000210738_100000070051 [0,0,0,1,0,0|2,0,1]=4 9199 B13R1.84 CC=CCOC1CCCCC1CC 7a_100000210738_100000070051 [0,0,0,1,0,0|2,0,1]=4 9200 B13R1.84 CCC1CCCCC1NCCC#N 270004a_100000720768_100000757040 [0,0,0,1,0,0|2,0,1]=4 9201 B13R1.84 CCC1CCCCC1NCCCF 269862a_100015189416_100000757040 [0,0,0,1,0,0|2,0,1]=4 9202 B13R1.84 CCC1CCCCC1NCCCF 270004a_100015189416_100000757040 [0,0,0,1,0,0|2,0,1]=4 9203 B13R1.84 CCC1CCCCC1NCCCO 269862a_100000182051_100000757040 [0,0,0,1,0,0|1,0,2]=4 9204 B13R1.84 CCC1CCCCC1NCCCO 270004a_100000182051_100000757040 [0,0,0,1,0,0|1,0,2]=4 9205 B13R1.84 CCC1CCCCC1NCCOC 269862a_100000209980_100000757040 [0,0,0,1,0,0|3,0,0]=4 9206 B13R1.84 CCC1CCCCC1NCCOC 270004a_100000209980_100000757040 [0,0,0,1,0,0|3,0,0]=4 9207 B13R1.84 CCC1CCCCC1NCCSC 269862a_100020590264_100000757040 [0,0,0,1,0,0|3,0,0]=4 9208 B13R1.84 CCC1CCCCC1NCCSC 270004a_100020590264_100000757040 [0,0,0,1,0,0|3,0,0]=4 9209 B13R1.84 CCC1CCCCC1OCCC#N 7a_100000210738_100000184422 [0,0,0,1,0,0|2,0,1]=4 9210 B13R1.84 CCC1CCCCC1OCCCF 34a_100000210738_100011934791 [0,0,0,1,0,0|2,0,1]=4 9211 B13R1.84 CCC1CCCCC1OCCCF 7a_100000210738_100011934791 [0,0,0,1,0,0|2,0,1]=4 9212 B13R1.84 CCC1CCCCC1OCCCO 34a_100000210738_100000230001 [0,0,0,1,0,0|1,0,2]=4 9213 B13R1.84 CCC1CCCCC1OCCCO 7a_100000210738_100011215043 [0,0,0,1,0,0|1,0,2]=4 9214 B13R1.84 CCC1CCCCC1OCCOC 34a_100000210738_100011201679 [0,0,0,1,0,0|3,0,0]=4 9215 B13R1.84 CCC1CCCCC1OCCOC 7a_100000210738_100000233755 [0,0,0,1,0,0|3,0,0]=4 9216 B13R1.84 CCC1CCCCC1OCCSC 34a_100000210738_100000212216 [0,0,0,1,0,0|3,0,0]=4 9217 B13R1.84 CCC1CCCCC1OCCSC 7a_100000210738_100000212216 [0,0,0,1,0,0|3,0,0]=4 9218 B13R1.84 CCC1CCCCN1CCCC#N 2230a_100000210034_100000687738 [0,0,0,1,0,0|2,0,1]=4 9219 B13R1.84 CCC1CCCCN1CCCC#N 269982a_100000210034_100000687738 [0,0,0,1,0,0|2,0,1]=4 9220 B13R1.84 CCC1CCCCN1CCCC=O 2230a_100000210034_200011292268 [0,0,0,1,0,0|1,0,0]=2 9221 B13R1.84 CCC1CCCCN1CCCC=O 269982a_100000210034_200011292268 [0,0,0,1,0,0|1,0,0]=2 9222 B13R1.84 CCC1CCCCN1CCCCF 2230a_100000210034_100000729493 [0,0,0,1,0,0|2,0,1]=4 9223 B13R1.84 CCC1CCCCN1CCCCF 269982a_100000210034_100000729493 [0,0,0,1,0,0|2,0,1]=4 9224 B13R1.84 CCC1CCCCN1CCCCF 34a_100000210034_100000729493 [0,0,0,1,0,0|2,0,1]=4 9225 B13R1.84 CCC1CCCCN1CCCCO 2230a_100000210034_100000210776 [0,0,0,1,0,0|1,0,2]=4 9226 B13R1.84 CCC1CCCCN1CCCCO 269982a_100000210034_100000210776 [0,0,0,1,0,0|1,0,2]=4 9227 B13R1.84 CCC1CCCCN1CCCCO 34a_100000210034_100011216708 [0,0,0,1,0,0|1,0,2]=4 9228 B13R1.84 CCC1CCCCN1CCCNC 34a_100011191702_200000210301 [0,0,0,1,0,0|3,0,0]=4 9229 B13R1.84 CCC1CCCCN1CCCN[13CH3] 34a_100011191702_200025704644 [0,0,0,1,0,0|3,0,0]=4 9230 B13R1.84 CCC1CCCCN1CCCOC 2230a_100000210034_100000740836 [0,0,0,1,0,0|3,0,0]=4 9231 B13R1.84 CCC1CCCCN1CCCOC 269982a_100000210034_100000740836 [0,0,0,1,0,0|3,0,0]=4 9232 B13R1.84 CCC1CCCCN1CCCOC 34a_100000210034_100000740836 [0,0,0,1,0,0|3,0,0]=4 9233 B13R1.84 CCCCCN1CCCCC1C#N 34a_100016989756_100000718602 [0,0,0,1,0,0|2,0,1]=4 9234 B13R1.84 CCCCCN1CCCCC1CC 2230a_100000210034_100000210326 [0,0,0,1,0,0|2,0,1]=4 9235 B13R1.84 CCCCCN1CCCCC1CC 269982a_100000210034_100000210215 [0,0,0,1,0,0|2,0,1]=4 9236 B13R1.84 CCCCCN1CCCCC1CC 34a_100000210034_100000718602 [0,0,0,1,0,0|2,0,1]=4 9237 B13R1.84 CCCCCN1CCCCC1CO 2230a_100000210821_100000210326 [0,0,0,1,0,0|1,0,2]=4 9238 B13R1.84 CCCCCN1CCCCC1CO 269982a_100000210821_100000210215 [0,0,0,1,0,0|1,0,2]=4 9239 B13R1.84 CCCCCN1CCCCC1CO 34a_100000210821_100000718602 [0,0,0,1,0,0|1,0,2]=4 9240 B13R1.84 CCCCNC1CCCCC1CC 269862a_100000102301_100000757040 [0,0,0,1,0,0|2,0,1]=4 9241 B13R1.84 CCCCNC1CCCCC1CC 270004a_100000102301_100000757040 [0,0,0,1,0,0|2,0,1]=4 9242 B13R1.84 CCCCNC1CCCCC1CO 270004a_100000102301_100009861125 [0,0,0,1,0,0|1,0,2]=4 9243 B13R1.84 CCCCNC1CCCCC1OC 270004a_100000102301_100000740605 [0,0,0,1,0,0|3,0,0]=4 9244 B13R1.84 CCCCNC1CCCCC1OC 34a_100011208099_100000210210 [0,0,0,1,0,0|3,0,0]=4 9245 B13R1.84 CCCCOC1CCCCC1CC 34a_100000210738_100000210210 [0,0,0,1,0,0|2,0,1]=4 9246 B13R1.84 CCCCOC1CCCCC1CC 7a_100000210738_100000210211 [0,0,0,1,0,0|2,0,1]=4 9247 B13R1.84 CCCCOC1CCCCC1CN 34a_100011216029_100000210210 [0,0,0,1,0,0|2,0,1]=4 9248 B13R1.84 CCCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210210 [0,0,0,1,0,0|3,0,0]=4 9249 B13R1.84 CCCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210210 [0,0,0,1,0,0|3,0,0]=4 9250 B13R1.84 CCCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210211 [0,0,0,1,0,0|3,0,0]=4 9251 B13R1.84 CCN1CCCCC1CCCOC 2230a_100011804088_100000210202 [0,0,0,1,0,0|3,0,0]=4 9252 B13R1.84 CCN1CCCCC1CCCOC 269982a_100011804088_100000204670 [0,0,0,1,0,0|3,0,0]=4 9253 B13R1.84 CCN1CCCCC1CCCOC 34a_100011804088_100000210202 [0,0,0,1,0,0|3,0,0]=4 9254 B13R1.84 CCN1CCCCC1CNCC=O 2230a_100000754393_200015260668 [0,0,0,1,0,0|2,0,0]=3 9255 B13R1.84 CCN1CCCCC1CNCC=O 34a_100000754393_200009817547 [0,0,0,1,0,0|2,0,0]=3 9256 B13R1.84 CCN1CCCCC1COCC=O 34a_100000225091_200009817547 [0,0,0,1,0,0|2,0,0]=3 9257 B13R1.84 CCN1CCCCC1COCC=O 7a_100000225091_200015260668 [0,0,0,1,0,0|2,0,0]=3 9258 B13R1.84 CC[C@H]1COCCN1CCCC=O 2230a_100016988097_200011292268 [0,0,0,1,0,0|2,0,0]=3 9259 B13R1.84 CC[C@H]1COCCN1CCCC=O 269982a_100016988097_200011292268 [0,0,0,1,0,0|2,0,0]=3 9260 B13R1.84 O=CCCCN1CCCCC1CO 2230a_100000210821_200011292268 [0,0,0,1,0,0|2,0,0]=3 9261 B13R1.84 O=CCCCN1CCCCC1CO 269982a_100000210821_200011292268 [0,0,0,1,0,0|2,0,0]=3 9262 B13R1.84 O=CCCCN1CCOC[C@H]1CO 2230a_100000717676_200011292268 [0,0,0,1,0,0|3,0,0]=4 9263 B13R1.84 O=CCCCN1CCOC[C@H]1CO 269982a_100000717676_200011292268 [0,0,0,1,0,0|3,0,0]=4 9264 B13R1.119 BrCCCCCCOC1CCCC1 34a_100011215345_100000179811 [0,0,0,1,0,0|2,0,1]=4 9265 B13R1.119 BrCCCCCCOC1CCCC1 7a_100011215345_100000179811 [0,0,0,1,0,0|2,0,1]=4 9266 B13R1.119 BrCCCCCOCC1CCCC1 34a_100000746331_100000740388 [0,0,0,1,0,0|2,0,1]=4 9267 B13R1.119 BrCCCCCOCC1CCCC1 7a_100000746331_100000740388 [0,0,0,1,0,0|2,0,1]=4 9268 B13R1.119 BrCCCCOCCC1CCCC1 34a_100011216708_100000760354 [0,0,0,1,0,0|2,0,1]=4 9269 B13R1.119 BrCCCOCCCC1CCCC1 34a_100011217188_100011713738 [0,0,0,1,0,0|2,0,1]=4 9270 B13R1.119 C#CCCCCCCN1CCCC1 2230a_100000188435_100012276617 [0,0,0,1,0,0|2,0,1]=4 9271 B13R1.119 C#CCCCCCCN1CCCC1 269982a_100000188435_100012276617 [0,0,0,1,0,0|2,0,1]=4 9272 B13R1.119 C#CCCCCCNC1CCCC1 2230a_100000211070_100012094781 [0,0,0,1,0,0|2,0,1]=4 9273 B13R1.119 C#CCCCCCNC1CCCC1 34a_100000211070_100012094781 [0,0,0,1,0,0|2,0,1]=4 9274 B13R1.119 C#CCCCCCOC1CCCC1 34a_100000210269_100012094781 [0,0,0,1,0,0|2,0,1]=4 9275 B13R1.119 C#CCCCCCOC1CCCC1 34a_100000766912_100000179811 [0,0,0,1,0,0|2,0,1]=4 9276 B13R1.119 C#CCCCCCOC1CCCC1 7a_100000210269_100012094781 [0,0,0,1,0,0|2,0,1]=4 9277 B13R1.119 C#CCCCCCOC1CCCC1 7a_100000766912_100000179811 [0,0,0,1,0,0|2,0,1]=4 9278 B13R1.119 C#CCCCCCSC1CCCC1 62a_100011217020_100012094781 [0,0,0,1,0,0|2,0,1]=4 9279 B13R1.119 C#CCCCCCSC1CCCC1 62a_100012094781_100000179811 [0,0,0,1,0,0|2,0,1]=4 9280 B13R1.119 C#CCCCCNCC1CCCC1 2230a_100000706060_100000740388 [0,0,0,1,0,0|2,0,1]=4 9281 B13R1.119 C#CCCCCNCC1CCCC1 2230a_100000737975_100010269958 [0,0,0,1,0,0|2,0,1]=4 9282 B13R1.119 C#CCCCCNCC1CCCC1 34a_100000706060_100000740388 [0,0,0,1,0,0|2,0,1]=4 9283 B13R1.119 C#CCCCCNCC1CCCC1 34a_100000737975_100010269958 [0,0,0,1,0,0|2,0,1]=4 9284 B13R1.119 C#CCCCCOCC1CCCC1 34a_100000742336_100010269958 [0,0,0,1,0,0|2,0,1]=4 9285 B13R1.119 C#CCCCCOCC1CCCC1 34a_100000766709_100000740388 [0,0,0,1,0,0|2,0,1]=4 9286 B13R1.119 C#CCCCCOCC1CCCC1 7a_100000742336_100010269958 [0,0,0,1,0,0|2,0,1]=4 9287 B13R1.119 C#CCCCCOCC1CCCC1 7a_100000766709_100000740388 [0,0,0,1,0,0|2,0,1]=4 9288 B13R1.119 C#CCCCCSCC1CCCC1 62a_100000740388_100010269958 [0,0,0,1,0,0|2,0,1]=4 9289 B13R1.119 C#CCCCCSCC1CCCC1 62a_100010269958_100000740388 [0,0,0,1,0,0|2,0,1]=4 9290 B13R1.119 C#CCCCNCCC1CCCC1 2230a_100000739158_100000731252 [0,0,0,1,0,0|2,0,1]=4 9291 B13R1.119 C#CCCCNCCC1CCCC1 34a_100000718082_100000760354 [0,0,0,1,0,0|2,0,1]=4 9292 B13R1.119 C#CCCCNCCC1CCCC1 34a_100000739158_100000695029 [0,0,0,1,0,0|2,0,1]=4 9293 B13R1.119 C#CCCCOCCC1CCCC1 34a_100000215630_100000760354 [0,0,0,1,0,0|2,0,1]=4 9294 B13R1.119 C#CCCCOCCC1CCCC1 34a_100000749090_100000695029 [0,0,0,1,0,0|2,0,1]=4 9295 B13R1.119 C#CCCCOCCC1CCCC1 7a_100000215630_100000760354 [0,0,0,1,0,0|2,0,1]=4 9296 B13R1.119 C#CCCCOCCC1CCCC1 7a_100000749090_100011215417 [0,0,0,1,0,0|2,0,1]=4 9297 B13R1.119 C#CCCCSCCC1CCCC1 62a_100000760354_100011215417 [0,0,0,1,0,0|2,0,1]=4 9298 B13R1.119 C#CCCCSCCC1CCCC1 62a_100011215417_100000760354 [0,0,0,1,0,0|2,0,1]=4 9299 B13R1.119 C#CCCNCCCC1CCCC1 2230a_100000736752_100000688953 [0,0,0,1,0,0|2,0,1]=4 9300 B13R1.119 C#CCCNCCCC1CCCC1 34a_100000736752_100000688953 [0,0,0,1,0,0|2,0,1]=4 9301 B13R1.119 C#CCCNCCCC1CCCC1 34a_100000755551_100011713738 [0,0,0,1,0,0|2,0,1]=4 9302 B13R1.119 C#CCCOCCCC1CCCC1 34a_100011215328_100000688953 [0,0,0,1,0,0|2,0,1]=4 9303 B13R1.119 C#CCCOCCCC1CCCC1 34a_100011215631_100011713738 [0,0,0,1,0,0|2,0,1]=4 9304 B13R1.119 C#CCCOCCCC1CCCC1 7a_100011215328_100000688953 [0,0,0,1,0,0|2,0,1]=4 9305 B13R1.119 C#CCCSCCCC1CCCC1 62a_100000688953_100011713738 [0,0,0,1,0,0|2,0,1]=4 9306 B13R1.119 C#CCCSCCCC1CCCC1 62a_100011713738_100000688953 [0,0,0,1,0,0|2,0,1]=4 9307 B13R1.119 C/C=C/CCOCCC1CCCC1 34a_100016278192_100000760354 [0,0,0,1,0,0|2,0,1]=4 9308 B13R1.119 C/C=C/CNCCCC1CCCC1 34a_100000736752_100102629194 [0,0,0,1,0,0|2,0,1]=4 9309 B13R1.119 C/C=C/COCCCC1CCCC1 34a_100011215328_100102629194 [0,0,0,1,0,0|2,0,1]=4 9310 B13R1.119 C/C=C/COCCCC1CCCC1 34a_100016270725_100011713738 [0,0,0,1,0,0|2,0,1]=4 9311 B13R1.119 C/C=C/COCCCC1CCCC1 7a_100011215328_100102629194 [0,0,0,1,0,0|2,0,1]=4 9312 B13R1.119 C/C=C/CSCCCC1CCCC1 62a_100011713738_100102629194 [0,0,0,1,0,0|2,0,1]=4 9313 B13R1.119 C/C=C/CSCCCC1CCCC1 62a_100102629194_100011713738 [0,0,0,1,0,0|2,0,1]=4 9314 B13R1.119 C=CCCCCCCN1CCCC1 2230a_100000188435_100011215473 [0,0,0,1,0,0|2,0,0]=3 9315 B13R1.119 C=CCCCCCCN1CCCC1 269982a_100000188435_100011215473 [0,0,0,1,0,0|2,0,0]=3 9316 B13R1.119 C=CCCCCCCN1CCSC1 2230a_100011215254_100011215473 [0,0,0,1,0,0|3,0,0]=4 9317 B13R1.119 C=CCCCCCCN1CCSC1 269982a_100011215254_100011215473 [0,0,0,1,0,0|3,0,0]=4 9318 B13R1.119 C=CCCCCCNC1CCCC1 2230a_100000211070_100000700193 [0,0,0,1,0,0|2,0,0]=3 9319 B13R1.119 C=CCCCCCNC1CCCC1 34a_100000211070_100000700193 [0,0,0,1,0,0|2,0,0]=3 9320 B13R1.119 C=CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000700193 [0,0,0,1,0,0|3,0,0]=4 9321 B13R1.119 C=CCCCCCN[C@H]1CCOC1 2230a_100015188467_100000700193 [0,0,0,1,0,0|3,0,0]=4 9322 B13R1.119 C=CCCCCCN[C@H]1CCOC1 34a_100015188467_100000700193 [0,0,0,1,0,0|3,0,0]=4 9323 B13R1.119 C=CCCCCCOC1CCCC1 34a_100000210269_100000700193 [0,0,0,1,0,0|2,0,0]=3 9324 B13R1.119 C=CCCCCCOC1CCCC1 34a_100011216702_100000179811 [0,0,0,1,0,0|2,0,0]=3 9325 B13R1.119 C=CCCCCCOC1CCCC1 7a_100000210269_100000700193 [0,0,0,1,0,0|2,0,0]=3 9326 B13R1.119 C=CCCCCCOC1CCCC1 7a_100011216702_100000179811 [0,0,0,1,0,0|2,0,0]=3 9327 B13R1.119 C=CCCCCCOC1CCCO1 34a_100000085407_100000700193 [0,0,0,1,0,0|3,0,0]=4 9328 B13R1.119 C=CCCCCCOC1CCOC1 34a_100011216702_100000690089 [0,0,0,1,0,0|3,0,0]=4 9329 B13R1.119 C=CCCCCCOC1CCOC1 7a_100011216702_100000731011 [0,0,0,1,0,0|3,0,0]=4 9330 B13R1.119 C=CCCCCCOC1CCSC1 7a_100011232664_100000700193 [0,0,0,1,0,0|3,0,0]=4 9331 B13R1.119 C=CCCCCCO[C@H]1CCOC1 34a_100000717292_100000700193 [0,0,0,1,0,0|3,0,0]=4 9332 B13R1.119 C=CCCCCCSC1CCCC1 62a_100000700193_100000179811 [0,0,0,1,0,0|2,0,0]=3 9333 B13R1.119 C=CCCCCCSC1CCCC1 62a_100011217020_100000700193 [0,0,0,1,0,0|2,0,0]=3 9334 B13R1.119 C=CCCCCCSC1CCOC1 62a_100000700193_100000690089 [0,0,0,1,0,0|3,0,0]=4 9335 B13R1.119 C=CCCCCNCC1CCCC1 2230a_100000703577_100000740388 [0,0,0,1,0,0|2,0,0]=3 9336 B13R1.119 C=CCCCCNCC1CCCC1 2230a_100000737975_100011215482 [0,0,0,1,0,0|2,0,0]=3 9337 B13R1.119 C=CCCCCNCC1CCCC1 269862a_100000703577_100000746403 [0,0,0,1,0,0|2,0,0]=3 9338 B13R1.119 C=CCCCCNCC1CCCC1 34a_100000703577_100000740388 [0,0,0,1,0,0|2,0,0]=3 9339 B13R1.119 C=CCCCCNCC1CCCC1 34a_100000737975_100011215482 [0,0,0,1,0,0|2,0,0]=3 9340 B13R1.119 C=CCCCCNCC1CCCO1 2230a_100000703577_100000203698 [0,0,0,1,0,0|3,0,0]=4 9341 B13R1.119 C=CCCCCNCC1CCOC1 2230a_100000703577_100000702531 [0,0,0,1,0,0|3,0,0]=4 9342 B13R1.119 C=CCCCCNCC1CCOC1 2230a_100000737293_100011215482 [0,0,0,1,0,0|3,0,0]=4 9343 B13R1.119 C=CCCCCNCC1CCOC1 34a_100000703577_100011261433 [0,0,0,1,0,0|3,0,0]=4 9344 B13R1.119 C=CCCCCNCC1CCOC1 34a_100000737293_100011215482 [0,0,0,1,0,0|3,0,0]=4 9345 B13R1.119 C=CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100011215482 [0,0,0,1,0,0|3,0,0]=4 9346 B13R1.119 C=CCCCCNC[C@@H]1CCCO1 34a_100020590478_100011215482 [0,0,0,1,0,0|3,0,0]=4 9347 B13R1.119 C=CCCCCOCC1CCCC1 34a_100000742336_100011215482 [0,0,0,1,0,0|2,0,0]=3 9348 B13R1.119 C=CCCCCOCC1CCCC1 34a_100000766645_100000740388 [0,0,0,1,0,0|2,0,0]=3 9349 B13R1.119 C=CCCCCOCC1CCCC1 7a_100000742336_100011215482 [0,0,0,1,0,0|2,0,0]=3 9350 B13R1.119 C=CCCCCOCC1CCCC1 7a_100000766645_100000740388 [0,0,0,1,0,0|2,0,0]=3 9351 B13R1.119 C=CCCCCOCC1CCCO1 34a_100000210270_100011215482 [0,0,0,1,0,0|3,0,0]=4 9352 B13R1.119 C=CCCCCOCC1CCCO1 7a_100000210270_100011215482 [0,0,0,1,0,0|3,0,0]=4 9353 B13R1.119 C=CCCCCOCC1CCCO1 7a_100000766645_100000203698 [0,0,0,1,0,0|3,0,0]=4 9354 B13R1.119 C=CCCCCOCC1CCNC1 34a_100000748654_100011215482 [0,0,0,1,0,0|3,0,0]=4 9355 B13R1.119 C=CCCCCOCC1CCOC1 34a_100000740260_100011215482 [0,0,0,1,0,0|3,0,0]=4 9356 B13R1.119 C=CCCCCOCC1CCOC1 34a_100000766645_100011261433 [0,0,0,1,0,0|3,0,0]=4 9357 B13R1.119 C=CCCCCOCC1CCOC1 7a_100000766645_100000702531 [0,0,0,1,0,0|3,0,0]=4 9358 B13R1.119 C=CCCCCOC[C@H]1CCCN1 34a_100000745186_100011215482 [0,0,0,1,0,0|3,0,0]=4 9359 B13R1.119 C=CCCCCSCC1CCCC1 62a_100000740388_100011215482 [0,0,0,1,0,0|2,0,0]=3 9360 B13R1.119 C=CCCCCSCC1CCCC1 62a_100011215482_100000740388 [0,0,0,1,0,0|2,0,0]=3 9361 B13R1.119 C=CCCCCSCC1CCCO1 62a_100000203698_100011215482 [0,0,0,1,0,0|3,0,0]=4 9362 B13R1.119 C=CCCCCSCC1CCCO1 62a_100011215482_100000203698 [0,0,0,1,0,0|3,0,0]=4 9363 B13R1.119 C=CCCCCSCC1CCOC1 62a_100000702531_100011215482 [0,0,0,1,0,0|3,0,0]=4 9364 B13R1.119 C=CCCCCSCC1CCOC1 62a_100011215482_100000702531 [0,0,0,1,0,0|3,0,0]=4 9365 B13R1.119 C=CCCCNCCC1CCCC1 2230a_100000700776_100000760354 [0,0,0,1,0,0|2,0,0]=3 9366 B13R1.119 C=CCCCNCCC1CCCC1 2230a_100000739158_100011713584 [0,0,0,1,0,0|2,0,0]=3 9367 B13R1.119 C=CCCCNCCC1CCCC1 34a_100000700776_100000760354 [0,0,0,1,0,0|2,0,0]=3 9368 B13R1.119 C=CCCCNCCC1CCCC1 34a_100000739158_100000757094 [0,0,0,1,0,0|2,0,0]=3 9369 B13R1.119 C=CCCCOCCC1CCCC1 34a_100000749090_100000757094 [0,0,0,1,0,0|2,0,0]=3 9370 B13R1.119 C=CCCCOCCC1CCCC1 34a_100000758997_100000760354 [0,0,0,1,0,0|2,0,0]=3 9371 B13R1.119 C=CCCCOCCC1CCCC1 7a_100000749090_100000757094 [0,0,0,1,0,0|2,0,0]=3 9372 B13R1.119 C=CCCCOCCC1CCCC1 7a_100000758997_100000760354 [0,0,0,1,0,0|2,0,0]=3 9373 B13R1.119 C=CCCCOCCC1CCNC1 34a_100016987287_100000757094 [0,0,0,1,0,0|3,0,0]=4 9374 B13R1.119 C=CCCCOCCC1CCOC1 34a_100011879284_100000757094 [0,0,0,1,0,0|3,0,0]=4 9375 B13R1.119 C=CCCCOCCN1CCCC1 7a_100000758997_100000004467 [0,0,0,1,0,0|3,0,0]=4 9376 B13R1.119 C=CCCCSCCC1CCCC1 62a_100000760354_100000757094 [0,0,0,1,0,0|2,0,0]=3 9377 B13R1.119 C=CCCCSCCC1CCCC1 62a_100011713584_100000760354 [0,0,0,1,0,0|2,0,0]=3 9378 B13R1.119 C=CCCCSCCN1CCCC1 62a_100000700749_100000757094 [0,0,0,1,0,0|3,0,0]=4 9379 B13R1.119 C=CCCCSCCN1CCCC1 62a_100011713584_100000004467 [0,0,0,1,0,0|3,0,0]=4 9380 B13R1.119 C=CCCNCCCC1CCCC1 2230a_100000736752_100000754431 [0,0,0,1,0,0|2,0,0]=3 9381 B13R1.119 C=CCCNCCCC1CCCC1 2230a_100015191253_100011713738 [0,0,0,1,0,0|2,0,0]=3 9382 B13R1.119 C=CCCNCCCC1CCCC1 34a_100000736752_100000754431 [0,0,0,1,0,0|2,0,0]=3 9383 B13R1.119 C=CCCNCCCN1CCCC1 2230a_100015191253_100011445909 [0,0,0,1,0,0|3,0,0]=4 9384 B13R1.119 C=CCCNCCOC1CCCC1 34a_100000741755_100000754431 [0,0,0,1,0,0|3,0,0]=4 9385 B13R1.119 C=CCCOCCCC1CCCC1 34a_100011205117_100011713738 [0,0,0,1,0,0|2,0,0]=3 9386 B13R1.119 C=CCCOCCCC1CCCC1 34a_100011215328_100000754431 [0,0,0,1,0,0|2,0,0]=3 9387 B13R1.119 C=CCCOCCCC1CCCC1 7a_100011215328_100000754431 [0,0,0,1,0,0|2,0,0]=3 9388 B13R1.119 C=CCCOCCCN1CCCC1 34a_100011205117_100016991639 [0,0,0,1,0,0|3,0,0]=4 9389 B13R1.119 C=CCCOCCNC1CCCC1 34a_200000200444_100000754431 [0,0,0,1,0,0|3,0,0]=4 9390 B13R1.119 C=CCCOCCOC1CCCC1 34a_100000738311_100000754431 [0,0,0,1,0,0|3,0,0]=4 9391 B13R1.119 C=CCCOCCOC1CCCC1 7a_100000738311_100000754431 [0,0,0,1,0,0|3,0,0]=4 9392 B13R1.119 C=CCCSCCCC1CCCC1 62a_100000754431_100011713738 [0,0,0,1,0,0|2,0,0]=3 9393 B13R1.119 C=CCCSCCCC1CCCC1 62a_100011713738_100000754431 [0,0,0,1,0,0|2,0,0]=3 9394 B13R1.119 C=CCCSCCCN1CCCC1 62a_100000754431_100011445909 [0,0,0,1,0,0|3,0,0]=4 9395 B13R1.119 C=CCCSCCCN1CCCC1 62a_100016991639_100000754431 [0,0,0,1,0,0|3,0,0]=4 9396 B13R1.119 C=CCNCCCOC1CCCC1 34a_100000747560_100015514636 [0,0,0,1,0,0|3,0,0]=4 9397 B13R1.119 C=CCOCCOCC1CCCC1 34a_100000037705_100000740388 [0,0,0,1,0,0|3,0,0]=4 9398 B13R1.119 C=CCOCCOCC1CCCC1 7a_100000037705_100000740388 [0,0,0,1,0,0|3,0,0]=4 9399 B13R1.119 C=COCCCCOC1CCCC1 34a_100000031558_100000179811 [0,0,0,1,0,0|3,0,0]=4 9400 B13R1.119 C=COCCCCOC1CCCC1 7a_100000031558_100000179811 [0,0,0,1,0,0|3,0,0]=4 9401 B13R1.119 C=COCCCNCC1CCCC1 2230a_100000210767_100000740388 [0,0,0,1,0,0|3,0,0]=4 9402 B13R1.119 C=COCCCNCC1CCCC1 269862a_100000210767_100000746403 [0,0,0,1,0,0|3,0,0]=4 9403 B13R1.119 C=COCCCNCC1CCCC1 34a_100000210767_100000740388 [0,0,0,1,0,0|3,0,0]=4 9404 B13R1.119 C=COCCNCCC1CCCC1 2230a_100000739158_100000039644 [0,0,0,1,0,0|3,0,0]=4 9405 B13R1.119 C=COCCNCCC1CCCC1 34a_100000739158_100000039644 [0,0,0,1,0,0|3,0,0]=4 9406 B13R1.119 C=COCCOCCC1CCCC1 34a_100000033082_100000760354 [0,0,0,1,0,0|3,0,0]=4 9407 B13R1.119 C=COCCOCCC1CCCC1 34a_100000749090_100000039644 [0,0,0,1,0,0|3,0,0]=4 9408 B13R1.119 C=COCCOCCC1CCCC1 7a_100000749090_100000039644 [0,0,0,1,0,0|3,0,0]=4 9409 B13R1.119 C=COCCSCCC1CCCC1 62a_100000039644_100000760354 [0,0,0,1,0,0|3,0,0]=4 9410 B13R1.119 C=COCCSCCC1CCCC1 62a_100000760354_100000039644 [0,0,0,1,0,0|3,0,0]=4 9411 B13R1.119 CC=CCCCOCC1CCCC1 34a_100020645299_100000740388 [0,0,0,1,0,0|2,0,1]=4 9412 B13R1.119 CC=CCNCCCC1CCCC1 2230a_100000736752_100000070051 [0,0,0,1,0,0|2,0,1]=4 9413 B13R1.119 CC=CCNCCCC1CCCC1 34a_100000736752_100000070051 [0,0,0,1,0,0|2,0,1]=4 9414 B13R1.119 CC=CCOCCCC1CCCC1 34a_100011215328_100000070051 [0,0,0,1,0,0|2,0,1]=4 9415 B13R1.119 CC=CCOCCCC1CCCC1 7a_100011215328_100000070051 [0,0,0,1,0,0|2,0,1]=4 9416 B13R1.119 CC=CCSCCCC1CCCC1 62a_100000070051_100011713738 [0,0,0,1,0,0|2,0,1]=4 9417 B13R1.119 CC=CCSCCCC1CCCC1 62a_100011713738_100000070051 [0,0,0,1,0,0|2,0,1]=4 9418 B13R1.119 CCCCCCCCN1CC=CC1 269982a_100015195280_100000210759 [0,0,0,1,0,0|2,0,1]=4 9419 B13R1.119 CCCCCCCCN1CCCC1 2230a_100000188435_100000210759 [0,0,0,1,0,0|2,0,1]=4 9420 B13R1.119 CCCCCCCCN1CCCC1 269982a_100000188435_100000210759 [0,0,0,1,0,0|2,0,1]=4 9421 B13R1.119 CCCCCCCCN1CCSC1 2230a_100011215254_100000210759 [0,0,0,1,0,0|3,0,0]=4 9422 B13R1.119 CCCCCCCCN1CCSC1 269982a_100011215254_100000210759 [0,0,0,1,0,0|3,0,0]=4 9423 B13R1.119 CCCCCCCNC1CC=CC1 2230a_100015188752_100000210681 [0,0,0,1,0,0|2,0,1]=4 9424 B13R1.119 CCCCCCCNC1CCCC1 2230a_100000211070_100000210681 [0,0,0,1,0,0|2,0,1]=4 9425 B13R1.119 CCCCCCCNC1CCCC1 2230a_100000229938_100000179811 [0,0,0,1,0,0|2,0,1]=4 9426 B13R1.119 CCCCCCCNC1CCCC1 270004a_100000229938_100000210133 [0,0,0,1,0,0|2,0,1]=4 9427 B13R1.119 CCCCCCCNC1CCCC1 34a_100000211070_100000210614 [0,0,0,1,0,0|2,0,1]=4 9428 B13R1.119 CCCCCCCNC1CCOC1 2230a_100000229938_100000731011 [0,0,0,1,0,0|3,0,0]=4 9429 B13R1.119 CCCCCCCNC1CCOC1 270004a_100000229938_100000752484 [0,0,0,1,0,0|3,0,0]=4 9430 B13R1.119 CCCCCCCNC1CCSC1 270004a_100000229938_100000212027 [0,0,0,1,0,0|3,0,0]=4 9431 B13R1.119 CCCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210681 [0,0,0,1,0,0|3,0,0]=4 9432 B13R1.119 CCCCCCCN[C@H]1CCOC1 2230a_100015188467_100000210681 [0,0,0,1,0,0|3,0,0]=4 9433 B13R1.119 CCCCCCCN[C@H]1CCOC1 34a_100015188467_100000210614 [0,0,0,1,0,0|3,0,0]=4 9434 B13R1.119 CCCCCCCOC1CCCC1 34a_100000210269_100000210614 [0,0,0,1,0,0|2,0,1]=4 9435 B13R1.119 CCCCCCCOC1CCCC1 34a_100000210272_100000179811 [0,0,0,1,0,0|2,0,1]=4 9436 B13R1.119 CCCCCCCOC1CCCC1 7a_100000210269_100000210614 [0,0,0,1,0,0|2,0,1]=4 9437 B13R1.119 CCCCCCCOC1CCCC1 7a_100000210272_100000179811 [0,0,0,1,0,0|2,0,1]=4 9438 B13R1.119 CCCCCCCOC1CCCO1 34a_100000085407_100000210614 [0,0,0,1,0,0|1,0,2]=4 9439 B13R1.119 CCCCCCCOC1CCOC1 34a_100000210272_100000690089 [0,0,0,1,0,0|3,0,0]=4 9440 B13R1.119 CCCCCCCOC1CCOC1 7a_100000210272_100000731011 [0,0,0,1,0,0|3,0,0]=4 9441 B13R1.119 CCCCCCCOC1CCSC1 7a_100011232664_100000210614 [0,0,0,1,0,0|3,0,0]=4 9442 B13R1.119 CCCCCCCO[C@H]1CCOC1 34a_100000717292_100000210614 [0,0,0,1,0,0|3,0,0]=4 9443 B13R1.119 CCCCCCCSC1CCCC1 62a_100000210614_100000179811 [0,0,0,1,0,0|2,0,1]=4 9444 B13R1.119 CCCCCCCSC1CCCC1 62a_100011217020_100000210316 [0,0,0,1,0,0|2,0,1]=4 9445 B13R1.119 CCCCCCCSC1CCOC1 62a_100000210614_100000690089 [0,0,0,1,0,0|3,0,0]=4 9446 B13R1.119 CCCCCCNCC1CCCC1 2230a_100000210581_100000740388 [0,0,0,1,0,0|2,0,1]=4 9447 B13R1.119 CCCCCCNCC1CCCC1 2230a_100000737975_100000210314 [0,0,0,1,0,0|2,0,1]=4 9448 B13R1.119 CCCCCCNCC1CCCC1 269862a_100000210581_100000746403 [0,0,0,1,0,0|2,0,1]=4 9449 B13R1.119 CCCCCCNCC1CCCC1 34a_100000737975_100000210314 [0,0,0,1,0,0|2,0,1]=4 9450 B13R1.119 CCCCCCNCC1CCCO1 2230a_100000210581_100000203698 [0,0,0,1,0,0|1,0,2]=4 9451 B13R1.119 CCCCCCNCC1CCOC1 2230a_100000210581_100000702531 [0,0,0,1,0,0|3,0,0]=4 9452 B13R1.119 CCCCCCNCC1CCOC1 2230a_100000737293_100000210314 [0,0,0,1,0,0|3,0,0]=4 9453 B13R1.119 CCCCCCNCC1CCOC1 34a_100000737293_100000210314 [0,0,0,1,0,0|3,0,0]=4 9454 B13R1.119 CCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210314 [0,0,0,1,0,0|1,0,2]=4 9455 B13R1.119 CCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000210314 [0,0,0,1,0,0|1,0,2]=4 9456 B13R1.119 CCCCCCOCC1CC=CC1 34a_100000688395_100000210314 [0,0,0,1,0,0|2,0,1]=4 9457 B13R1.119 CCCCCCOCC1CCCC1 34a_100000210259_100000740388 [0,0,0,1,0,0|2,0,1]=4 9458 B13R1.119 CCCCCCOCC1CCCC1 34a_100000742336_100000210314 [0,0,0,1,0,0|2,0,1]=4 9459 B13R1.119 CCCCCCOCC1CCCC1 7a_100000210259_100000740388 [0,0,0,1,0,0|2,0,1]=4 9460 B13R1.119 CCCCCCOCC1CCCC1 7a_100000742336_100000210314 [0,0,0,1,0,0|2,0,1]=4 9461 B13R1.119 CCCCCCOCC1CCCO1 34a_100000210270_100000210314 [0,0,0,1,0,0|1,0,2]=4 9462 B13R1.119 CCCCCCOCC1CCCO1 7a_100000210259_100000203698 [0,0,0,1,0,0|1,0,2]=4 9463 B13R1.119 CCCCCCOCC1CCCO1 7a_100000210270_100000210314 [0,0,0,1,0,0|1,0,2]=4 9464 B13R1.119 CCCCCCOCC1CCNC1 34a_100000748654_100000210314 [0,0,0,1,0,0|3,0,0]=4 9465 B13R1.119 CCCCCCOCC1CCOC1 34a_100000210259_100011261433 [0,0,0,1,0,0|3,0,0]=4 9466 B13R1.119 CCCCCCOCC1CCOC1 34a_100000740260_100000210314 [0,0,0,1,0,0|3,0,0]=4 9467 B13R1.119 CCCCCCOCC1CCOC1 7a_100000210259_100000702531 [0,0,0,1,0,0|3,0,0]=4 9468 B13R1.119 CCCCCCOC[C@H]1CCCN1 34a_100000745186_100000210314 [0,0,0,1,0,0|2,0,1]=4 9469 B13R1.119 CCCCCCSCC1CCCC1 62a_100000210314_100000740388 [0,0,0,1,0,0|2,0,1]=4 9470 B13R1.119 CCCCCCSCC1CCCC1 62a_100000740388_100000210757 [0,0,0,1,0,0|2,0,1]=4 9471 B13R1.119 CCCCCCSCC1CCCO1 62a_100000203698_100000210757 [0,0,0,1,0,0|1,0,2]=4 9472 B13R1.119 CCCCCCSCC1CCCO1 62a_100000210314_100000203698 [0,0,0,1,0,0|1,0,2]=4 9473 B13R1.119 CCCCCCSCC1CCOC1 62a_100000210314_100000702531 [0,0,0,1,0,0|3,0,0]=4 9474 B13R1.119 CCCCCCSCC1CCOC1 62a_100000702531_100000210757 [0,0,0,1,0,0|3,0,0]=4 9475 B13R1.119 CCCCCNCCC1CCCC1 2230a_100000209983_100000760354 [0,0,0,1,0,0|2,0,1]=4 9476 B13R1.119 CCCCCNCCC1CCCC1 2230a_100000739158_100000210326 [0,0,0,1,0,0|2,0,1]=4 9477 B13R1.119 CCCCCNCCC1CCCC1 34a_100000739158_100000718602 [0,0,0,1,0,0|2,0,1]=4 9478 B13R1.119 CCCCCOCCC1CCCC1 34a_100000210253_100000760354 [0,0,0,1,0,0|2,0,1]=4 9479 B13R1.119 CCCCCOCCC1CCCC1 34a_100000749090_100000718602 [0,0,0,1,0,0|2,0,1]=4 9480 B13R1.119 CCCCCOCCC1CCCC1 7a_100000210253_100000760354 [0,0,0,1,0,0|2,0,1]=4 9481 B13R1.119 CCCCCOCCC1CCCC1 7a_100000749090_100000210326 [0,0,0,1,0,0|2,0,1]=4 9482 B13R1.119 CCCCCOCCC1CCNC1 34a_100016987287_100000718602 [0,0,0,1,0,0|3,0,0]=4 9483 B13R1.119 CCCCCOCCC1CCOC1 34a_100011879284_100000718602 [0,0,0,1,0,0|3,0,0]=4 9484 B13R1.119 CCCCCSCCC1CCCC1 62a_100000210326_100000760354 [0,0,0,1,0,0|2,0,1]=4 9485 B13R1.119 CCCCCSCCC1CCCC1 62a_100000760354_100000210326 [0,0,0,1,0,0|2,0,1]=4 9486 B13R1.119 CCCCNCCCC1CCCC1 2230a_100000102301_100011713738 [0,0,0,1,0,0|2,0,1]=4 9487 B13R1.119 CCCCNCCCC1CCCC1 2230a_100000736752_100000210211 [0,0,0,1,0,0|2,0,1]=4 9488 B13R1.119 CCCCNCCCC1CCCC1 34a_100000736752_100000210210 [0,0,0,1,0,0|2,0,1]=4 9489 B13R1.119 CCCCNCCCC1CCCC1 7a_106832991798_100011713738 [0,0,0,1,0,0|2,0,1]=4 9490 B13R1.119 CCCCOCCCC1CCCC1 34a_100000210227_100011713738 [0,0,0,1,0,0|2,0,1]=4 9491 B13R1.119 CCCCOCCCC1CCCC1 34a_100011215328_100000210210 [0,0,0,1,0,0|2,0,1]=4 9492 B13R1.119 CCCCOCCCC1CCCC1 7a_100000210227_100011713738 [0,0,0,1,0,0|2,0,1]=4 9493 B13R1.119 CCCCOCCCC1CCCC1 7a_100011215328_100000210211 [0,0,0,1,0,0|2,0,1]=4 9494 B13R1.119 CCCCSCCCC1CCCC1 62a_100000210211_100011713738 [0,0,0,1,0,0|2,0,1]=4 9495 B13R1.119 CCCCSCCCC1CCCC1 62a_100011713738_100000210210 [0,0,0,1,0,0|2,0,1]=4 9496 B13R1.119 CNCCCCCOC1CCCC1 34a_100000722520_100000179811 [0,0,0,1,0,0|3,0,0]=4 9497 B13R1.119 CNCCCOCCC1CCCC1 34a_100000213112_100000760354 [0,0,0,1,0,0|3,0,0]=4 9498 B13R1.119 COCCCCCCN1CCCC1 2230a_100000188435_100011998445 [0,0,0,1,0,0|3,0,0]=4 9499 B13R1.119 COCCCCCCN1CCCC1 269982a_100000188435_100011998445 [0,0,0,1,0,0|3,0,0]=4 9500 B13R1.119 COCCCCCNC1CCCC1 2230a_100000747528_100000179811 [0,0,0,1,0,0|3,0,0]=4 9501 B13R1.119 COCCCCCNC1CCCC1 270004a_100000747528_100000210133 [0,0,0,1,0,0|3,0,0]=4 9502 B13R1.119 COCCCCCNC1CCCC1 34a_100000747528_100000179811 [0,0,0,1,0,0|3,0,0]=4 9503 B13R1.119 COCCCCNCC1CCCC1 2230a_100000737975_100000730899 [0,0,0,1,0,0|3,0,0]=4 9504 B13R1.119 COCCCCNCC1CCCC1 34a_100000737975_100000755781 [0,0,0,1,0,0|3,0,0]=4 9505 B13R1.119 COCCCCOCC1CCCC1 34a_100000740925_100000740388 [0,0,0,1,0,0|3,0,0]=4 9506 B13R1.119 COCCCCOCC1CCCC1 34a_100000742336_100000755781 [0,0,0,1,0,0|3,0,0]=4 9507 B13R1.119 COCCCCOCC1CCCC1 7a_100000742336_100000730899 [0,0,0,1,0,0|3,0,0]=4 9508 B13R1.119 COCCCCSCC1CCCC1 62a_100000730899_100000740388 [0,0,0,1,0,0|3,0,0]=4 9509 B13R1.119 COCCCCSCC1CCCC1 62a_100000740388_100000730899 [0,0,0,1,0,0|3,0,0]=4 9510 B13R1.119 COCCCNCCC1CCCC1 2230a_100000739158_100000740836 [0,0,0,1,0,0|3,0,0]=4 9511 B13R1.119 COCCCNCCC1CCCC1 34a_100000739158_100000740836 [0,0,0,1,0,0|3,0,0]=4 9512 B13R1.119 COCCCNCCC1CCCC1 34a_100150723488_100000760354 [0,0,0,1,0,0|3,0,0]=4 9513 B13R1.119 COCCCOCCC1CCCC1 34a_100000740835_100000760354 [0,0,0,1,0,0|3,0,0]=4 9514 B13R1.119 COCCCOCCC1CCCC1 34a_100000749090_100000740836 [0,0,0,1,0,0|3,0,0]=4 9515 B13R1.119 COCCCOCCC1CCCC1 7a_100000749090_100000740836 [0,0,0,1,0,0|3,0,0]=4 9516 B13R1.119 COCCCSCCC1CCCC1 62a_100000709357_100000760354 [0,0,0,1,0,0|3,0,0]=4 9517 B13R1.119 COCCCSCCC1CCCC1 62a_100000760354_100000709357 [0,0,0,1,0,0|3,0,0]=4 9518 B13R1.119 COCCNCCCC1CCCC1 2230a_100000209980_100011713738 [0,0,0,1,0,0|3,0,0]=4 9519 B13R1.119 COCCNCCCC1CCCC1 2230a_100000736752_100011201679 [0,0,0,1,0,0|3,0,0]=4 9520 B13R1.119 COCCNCCCC1CCCC1 34a_100000736752_100011201679 [0,0,0,1,0,0|3,0,0]=4 9521 B13R1.119 COCCOCCCC1CCCC1 34a_100000210237_100011713738 [0,0,0,1,0,0|3,0,0]=4 9522 B13R1.119 COCCOCCCC1CCCC1 34a_100011215328_100011201679 [0,0,0,1,0,0|3,0,0]=4 9523 B13R1.119 COCCOCCCC1CCCC1 7a_100011215328_100000233755 [0,0,0,1,0,0|3,0,0]=4 9524 B13R1.119 COCCSCCCC1CCCC1 62a_100000233755_100011713738 [0,0,0,1,0,0|3,0,0]=4 9525 B13R1.119 COCCSCCCC1CCCC1 62a_100011713738_100000233755 [0,0,0,1,0,0|3,0,0]=4 9526 B13R1.119 CSCCCCOCC1CCCC1 34a_100011217163_100000740388 [0,0,0,1,0,0|3,0,0]=4 9527 B13R1.119 CSCCCCOCC1CCCC1 7a_100011217163_100000740388 [0,0,0,1,0,0|3,0,0]=4 9528 B13R1.119 CSCCCNCCC1CCCC1 2230a_100000749238_100000760354 [0,0,0,1,0,0|3,0,0]=4 9529 B13R1.119 CSCCCOCCC1CCCC1 34a_100000690336_100000760354 [0,0,0,1,0,0|3,0,0]=4 9530 B13R1.119 CSCCCOCCC1CCCC1 7a_100000690336_100000760354 [0,0,0,1,0,0|3,0,0]=4 9531 B13R1.119 CSCCNCCCC1CCCC1 2230a_100000736752_100000751147 [0,0,0,1,0,0|3,0,0]=4 9532 B13R1.119 CSCCNCCCC1CCCC1 2230a_100020590264_100011713738 [0,0,0,1,0,0|3,0,0]=4 9533 B13R1.119 CSCCNCCCC1CCCC1 34a_100000736752_100000212216 [0,0,0,1,0,0|3,0,0]=4 9534 B13R1.119 CSCCOCCCC1CCCC1 34a_100000230434_100011713738 [0,0,0,1,0,0|3,0,0]=4 9535 B13R1.119 CSCCOCCCC1CCCC1 34a_100011215328_100000212216 [0,0,0,1,0,0|3,0,0]=4 9536 B13R1.119 CSCCOCCCC1CCCC1 7a_100000230434_100011713738 [0,0,0,1,0,0|3,0,0]=4 9537 B13R1.119 CSCCOCCCC1CCCC1 7a_100011215328_100000212216 [0,0,0,1,0,0|3,0,0]=4 9538 B13R1.119 CSCCSCCCC1CCCC1 62a_100000212216_100011713738 [0,0,0,1,0,0|3,0,0]=4 9539 B13R1.119 CSCCSCCCC1CCCC1 62a_100011713738_100000751147 [0,0,0,1,0,0|3,0,0]=4 9540 B13R1.119 ClCCCCCCOC1CCCC1 34a_100000766143_100000179811 [0,0,0,1,0,0|2,0,1]=4 9541 B13R1.119 ClCCCCCCOC1CCCC1 7a_100000766143_100000179811 [0,0,0,1,0,0|2,0,1]=4 9542 B13R1.119 ClCCCCCOCC1CCCC1 34a_100000746330_100000740388 [0,0,0,1,0,0|2,0,1]=4 9543 B13R1.119 ClCCCCCOCC1CCCC1 7a_100000746330_100000740388 [0,0,0,1,0,0|2,0,1]=4 9544 B13R1.119 ClCCCCOCCC1CCCC1 34a_100000210776_100000760354 [0,0,0,1,0,0|2,0,1]=4 9545 B13R1.119 ClCCCCOCCC1CCCC1 7a_100000210776_100000760354 [0,0,0,1,0,0|2,0,1]=4 9546 B13R1.119 ClCCCOCCCC1CCCC1 34a_100000230001_100011713738 [0,0,0,1,0,0|2,0,1]=4 9547 B13R1.119 FCCCCCCNC1CCCC1 2230a_100000211070_100015922095 [0,0,0,1,0,0|2,0,1]=4 9548 B13R1.119 FCCCCCCNC1CCCC1 34a_100000211070_100015922095 [0,0,0,1,0,0|2,0,1]=4 9549 B13R1.119 FCCCCCCOC1CCCC1 34a_100000210269_100015922095 [0,0,0,1,0,0|2,0,1]=4 9550 B13R1.119 FCCCCCCOC1CCCC1 34a_100000732779_100000179811 [0,0,0,1,0,0|2,0,1]=4 9551 B13R1.119 FCCCCCCOC1CCCC1 7a_100000210269_100015922095 [0,0,0,1,0,0|2,0,1]=4 9552 B13R1.119 FCCCCCCOC1CCCC1 7a_100000732779_100000179811 [0,0,0,1,0,0|2,0,1]=4 9553 B13R1.119 FCCCCCCSC1CCCC1 62a_100011217020_100015922095 [0,0,0,1,0,0|2,0,1]=4 9554 B13R1.119 FCCCCCCSC1CCCC1 62a_100015922095_100000179811 [0,0,0,1,0,0|2,0,1]=4 9555 B13R1.119 FCCCCCNCC1CCCC1 2230a_100000737975_100000729378 [0,0,0,1,0,0|2,0,1]=4 9556 B13R1.119 FCCCCCNCC1CCCC1 34a_100000737975_100000729378 [0,0,0,1,0,0|2,0,1]=4 9557 B13R1.119 FCCCCCOCC1CCCC1 34a_100000742336_100000729378 [0,0,0,1,0,0|2,0,1]=4 9558 B13R1.119 FCCCCCOCC1CCCC1 7a_100000742336_100000729378 [0,0,0,1,0,0|2,0,1]=4 9559 B13R1.119 FCCCCCSCC1CCCC1 62a_100000729378_100000740388 [0,0,0,1,0,0|2,0,1]=4 9560 B13R1.119 FCCCCCSCC1CCCC1 62a_100000740388_100000729378 [0,0,0,1,0,0|2,0,1]=4 9561 B13R1.119 FCCCCNCCC1CCCC1 2230a_100000739158_100000729493 [0,0,0,1,0,0|2,0,1]=4 9562 B13R1.119 FCCCCNCCC1CCCC1 34a_100000739158_100000729493 [0,0,0,1,0,0|2,0,1]=4 9563 B13R1.119 FCCCCOCCC1CCCC1 34a_100000749090_100000729493 [0,0,0,1,0,0|2,0,1]=4 9564 B13R1.119 FCCCCOCCC1CCCC1 34a_100011995726_100000760354 [0,0,0,1,0,0|2,0,1]=4 9565 B13R1.119 FCCCCOCCC1CCCC1 7a_100000749090_100000729493 [0,0,0,1,0,0|2,0,1]=4 9566 B13R1.119 FCCCCOCCC1CCCC1 7a_100011995726_100000760354 [0,0,0,1,0,0|2,0,1]=4 9567 B13R1.119 FCCCCSCCC1CCCC1 62a_100000729493_100000760354 [0,0,0,1,0,0|2,0,1]=4 9568 B13R1.119 FCCCCSCCC1CCCC1 62a_100000760354_100000729493 [0,0,0,1,0,0|2,0,1]=4 9569 B13R1.119 FCCCNCCCC1CCCC1 2230a_100000736752_100011934791 [0,0,0,1,0,0|2,0,1]=4 9570 B13R1.119 FCCCNCCCC1CCCC1 2230a_100015189416_100011713738 [0,0,0,1,0,0|2,0,1]=4 9571 B13R1.119 FCCCNCCCC1CCCC1 34a_100000736752_100011934791 [0,0,0,1,0,0|2,0,1]=4 9572 B13R1.119 FCCCNCCCC1CCCC1 34a_100015189416_100011713738 [0,0,0,1,0,0|2,0,1]=4 9573 B13R1.119 FCCCOCCCC1CCCC1 34a_100000759539_100011713738 [0,0,0,1,0,0|2,0,1]=4 9574 B13R1.119 FCCCOCCCC1CCCC1 34a_100011215328_100011934791 [0,0,0,1,0,0|2,0,1]=4 9575 B13R1.119 FCCCOCCCC1CCCC1 7a_100011215328_100011934791 [0,0,0,1,0,0|2,0,1]=4 9576 B13R1.119 FCCCSCCCC1CCCC1 62a_100011713738_100011934791 [0,0,0,1,0,0|2,0,1]=4 9577 B13R1.119 FCCCSCCCC1CCCC1 62a_100011934791_100011713738 [0,0,0,1,0,0|2,0,1]=4 9578 B13R1.119 ICCCCCOCC1CCCC1 34a_200012148887_100000740388 [0,0,0,1,0,0|2,0,1]=4 9579 B13R1.119 ICCCCCOCC1CCCC1 7a_200012148887_100000740388 [0,0,0,1,0,0|2,0,1]=4 9580 B13R1.119 ICCCCOCCC1CCCC1 34a_200012148704_100000760354 [0,0,0,1,0,0|2,0,1]=4 9581 B13R1.119 N#CCCCCCCN1CCCC1 2230a_100000188435_100009813337 [0,0,0,1,0,0|2,0,1]=4 9582 B13R1.119 N#CCCCCCCN1CCCC1 269982a_100000188435_100009813337 [0,0,0,1,0,0|2,0,1]=4 9583 B13R1.119 N#CCCCCCNC1CCCC1 2230a_100000211070_100009813376 [0,0,0,1,0,0|2,0,1]=4 9584 B13R1.119 N#CCCCCCNC1CCCC1 270004a_100000061152_100000210133 [0,0,0,1,0,0|2,0,1]=4 9585 B13R1.119 N#CCCCCCOC1CCCC1 7a_100000210269_100009813376 [0,0,0,1,0,0|2,0,1]=4 9586 B13R1.119 N#CCCCCCSC1CCCC1 62a_100009813376_100000179811 [0,0,0,1,0,0|2,0,1]=4 9587 B13R1.119 N#CCCCCCSC1CCCC1 62a_100011217020_100009813376 [0,0,0,1,0,0|2,0,1]=4 9588 B13R1.119 N#CCCCCNCC1CCCC1 2230a_100000737975_100000211819 [0,0,0,1,0,0|2,0,1]=4 9589 B13R1.119 N#CCCCCOCC1CCCC1 7a_100000742336_100000211819 [0,0,0,1,0,0|2,0,1]=4 9590 B13R1.119 N#CCCCCSCC1CCCC1 62a_100000740388_100000211819 [0,0,0,1,0,0|2,0,1]=4 9591 B13R1.119 N#CCCCCSCC1CCCC1 62a_100011219923_100000740388 [0,0,0,1,0,0|2,0,1]=4 9592 B13R1.119 N#CCCCNCCC1CCCC1 2230a_100000739158_100000687738 [0,0,0,1,0,0|2,0,1]=4 9593 B13R1.119 N#CCCCOCCC1CCCC1 7a_100000749090_100000687738 [0,0,0,1,0,0|2,0,1]=4 9594 B13R1.119 N#CCCCSCCC1CCCC1 62a_100000687738_100000760354 [0,0,0,1,0,0|2,0,1]=4 9595 B13R1.119 N#CCCCSCCC1CCCC1 62a_100000760354_100000687738 [0,0,0,1,0,0|2,0,1]=4 9596 B13R1.119 N#CCCNCCCC1CCCC1 2230a_100000736752_100011215226 [0,0,0,1,0,0|2,0,1]=4 9597 B13R1.119 N#CCCOCCCC1CCCC1 7a_100011215328_100000184422 [0,0,0,1,0,0|2,0,1]=4 9598 B13R1.119 N#CCCSCCCC1CCCC1 62a_100011215226_100011713738 [0,0,0,1,0,0|2,0,1]=4 9599 B13R1.119 N#CCCSCCCC1CCCC1 62a_100011713738_100011215226 [0,0,0,1,0,0|2,0,1]=4 9600 B13R1.119 NCCCCCCOC1CCCC1 34a_100000686447_100000179811 [0,0,0,1,0,0|2,0,1]=4 9601 B13R1.119 NCCCCCOCC1CCCC1 34a_100000762737_100000740388 [0,0,0,1,0,0|2,0,1]=4 9602 B13R1.119 NCCCCOCCC1CCCC1 34a_100000750430_100000760354 [0,0,0,1,0,0|2,0,1]=4 9603 B13R1.119 NCCCOCCCC1CCCC1 34a_100000182051_100011713738 [0,0,0,1,0,0|2,0,1]=4 9604 B13R1.119 NOCCOCCCC1CCCC1 34a_100000700252_100011713738 [0,0,0,1,0,0|3,0,0]=4 9605 B13R1.119 O=CCCCCCNC1CC=CC1 2230a_100015188752_100000139337 [0,0,0,1,0,0|1,0,2]=4 9606 B13R1.119 O=CCCCCCNC1CCCC1 2230a_100000211070_100000139337 [0,0,0,1,0,0|1,0,0]=2 9607 B13R1.119 O=CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000139337 [0,0,0,1,0,0|2,0,0]=3 9608 B13R1.119 O=CCCCCCN[C@H]1CCOC1 2230a_100015188467_100000139337 [0,0,0,1,0,0|2,0,0]=3 9609 B13R1.119 O=CCCCCCOC1CCCC1 7a_100000210269_100000139337 [0,0,0,1,0,0|1,0,0]=2 9610 B13R1.119 O=CCCCCCOC1CCSC1 7a_100011232664_100000139337 [0,0,0,1,0,0|2,0,0]=3 9611 B13R1.119 O=CCCCCCSC1CCCC1 62a_100000139337_100000179811 [0,0,0,1,0,0|1,0,0]=2 9612 B13R1.119 O=CCCCCCSC1CCCC1 62a_100011217020_100000139337 [0,0,0,1,0,0|1,0,0]=2 9613 B13R1.119 O=CCCCCCSC1CCOC1 62a_100000139337_100000690089 [0,0,0,1,0,0|2,0,0]=3 9614 B13R1.119 O=CCCCCNCC1CCCC1 2230a_100000737975_100000139335 [0,0,0,1,0,0|1,0,0]=2 9615 B13R1.119 O=CCCCCNCC1CCOC1 2230a_100000737293_100000139335 [0,0,0,1,0,0|2,0,0]=3 9616 B13R1.119 O=CCCCCNCC1OCCO1 2230a_100000036311_100000139335 [0,0,0,1,0,0|3,0,0]=4 9617 B13R1.119 O=CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000139335 [0,0,0,1,0,0|2,0,0]=3 9618 B13R1.119 O=CCCCCOCC1CCCC1 7a_100000742336_100000139335 [0,0,0,1,0,0|1,0,0]=2 9619 B13R1.119 O=CCCCCOCC1CCCO1 7a_100000210270_100000139335 [0,0,0,1,0,0|2,0,0]=3 9620 B13R1.119 O=CCCCCSCC1CCCC1 62a_100000139335_100000740388 [0,0,0,1,0,0|1,0,0]=2 9621 B13R1.119 O=CCCCCSCC1CCCC1 62a_100000740388_100000139335 [0,0,0,1,0,0|1,0,0]=2 9622 B13R1.119 O=CCCCCSCC1CCCO1 62a_100000139335_100000203698 [0,0,0,1,0,0|2,0,0]=3 9623 B13R1.119 O=CCCCCSCC1CCCO1 62a_100000203698_100000139335 [0,0,0,1,0,0|2,0,0]=3 9624 B13R1.119 O=CCCCCSCC1CCOC1 62a_100000139335_100000702531 [0,0,0,1,0,0|2,0,0]=3 9625 B13R1.119 O=CCCCCSCC1CCOC1 62a_100000702531_100000139335 [0,0,0,1,0,0|2,0,0]=3 9626 B13R1.119 O=CCCCCSCC1OCCO1 62a_100000139335_100000755774 [0,0,0,1,0,0|3,0,0]=4 9627 B13R1.119 O=CCCCCSCC1OCCO1 62a_100000755774_100000139335 [0,0,0,1,0,0|3,0,0]=4 9628 B13R1.119 O=CCCCNCCC1CCCC1 2230a_100000739158_200011292268 [0,0,0,1,0,0|1,0,0]=2 9629 B13R1.119 O=CCCCNCCC1OCCO1 2230a_100000034215_200011292268 [0,0,0,1,0,0|3,0,0]=4 9630 B13R1.119 O=CCCCOCCC1CCCC1 7a_100000749090_200011292268 [0,0,0,1,0,0|1,0,0]=2 9631 B13R1.119 O=CCCCSCCC1CCCC1 62a_100000760354_200011292268 [0,0,0,1,0,0|1,0,0]=2 9632 B13R1.119 O=CCCCSCCC1CCCC1 62a_200011292268_100000760354 [0,0,0,1,0,0|1,0,0]=2 9633 B13R1.119 O=CCCCSCCC1OCCO1 62a_200011292268_100000740749 [0,0,0,1,0,0|3,0,0]=4 9634 B13R1.119 O=CCCCSCCN1CCCC1 62a_100000700749_200011292268 [0,0,0,1,0,0|2,0,0]=3 9635 B13R1.119 O=CCCCSCCN1CCCC1 62a_200011292268_100000004467 [0,0,0,1,0,0|2,0,0]=3 9636 B13R1.119 O=CCNCCCOC1CCCC1 34a_100000747560_200009817547 [0,0,0,1,0,0|2,0,0]=3 9637 B13R1.119 O=CCSCCCCC1OCCO1 62a_200015260668_100000034956 [0,0,0,1,0,0|3,0,0]=4 9638 B13R1.119 OCCCCCCCN1CCCC1 2230a_100000188435_100000760002 [0,0,0,1,0,0|1,0,2]=4 9639 B13R1.119 OCCCCCCCN1CCCC1 269982a_100000188435_100000760002 [0,0,0,1,0,0|1,0,2]=4 9640 B13R1.119 OCCCCCCNC1CCCC1 2230a_100000211070_100000766143 [0,0,0,1,0,0|1,0,2]=4 9641 B13R1.119 OCCCCCCNC1CCCC1 2230a_100000686447_100000179811 [0,0,0,1,0,0|1,0,2]=4 9642 B13R1.119 OCCCCCCNC1CCCC1 270004a_100000686447_100000210133 [0,0,0,1,0,0|1,0,2]=4 9643 B13R1.119 OCCCCCCNC1CCCC1 34a_100000211070_100000766143 [0,0,0,1,0,0|1,0,2]=4 9644 B13R1.119 OCCCCCCNC1CCCC1 34a_100000686447_100000179811 [0,0,0,1,0,0|1,0,2]=4 9645 B13R1.119 OCCCCCCOC1CCCC1 34a_100000210269_100000766143 [0,0,0,1,0,0|1,0,2]=4 9646 B13R1.119 OCCCCCCOC1CCCC1 7a_100000210269_100000766143 [0,0,0,1,0,0|1,0,2]=4 9647 B13R1.119 OCCCCCCSC1CCCC1 62a_100000766143_100000179811 [0,0,0,1,0,0|1,0,2]=4 9648 B13R1.119 OCCCCCCSC1CCCC1 62a_100011217020_100000766143 [0,0,0,1,0,0|1,0,2]=4 9649 B13R1.119 OCCCCCNCC1CCCC1 2230a_100000737975_100000746330 [0,0,0,1,0,0|1,0,2]=4 9650 B13R1.119 OCCCCCNCC1CCCC1 2230a_100000762737_100000740388 [0,0,0,1,0,0|1,0,2]=4 9651 B13R1.119 OCCCCCNCC1CCCC1 269862a_100000762737_100000746403 [0,0,0,1,0,0|1,0,2]=4 9652 B13R1.119 OCCCCCNCC1CCCC1 34a_100000737975_100000746330 [0,0,0,1,0,0|1,0,2]=4 9653 B13R1.119 OCCCCCNCC1CCCC1 34a_100000762737_100000740388 [0,0,0,1,0,0|1,0,2]=4 9654 B13R1.119 OCCCCCOCC1CCCC1 34a_100000742336_100000746330 [0,0,0,1,0,0|1,0,2]=4 9655 B13R1.119 OCCCCCOCC1CCCC1 7a_100000742336_100000746330 [0,0,0,1,0,0|1,0,2]=4 9656 B13R1.119 OCCCCCSCC1CCCC1 62a_100000740388_100000746330 [0,0,0,1,0,0|1,0,2]=4 9657 B13R1.119 OCCCCCSCC1CCCC1 62a_100000746330_100000740388 [0,0,0,1,0,0|1,0,2]=4 9658 B13R1.119 OCCCCNCCC1CCCC1 2230a_100000739158_100000210776 [0,0,0,1,0,0|1,0,2]=4 9659 B13R1.119 OCCCCNCCC1CCCC1 2230a_100000750430_100000760354 [0,0,0,1,0,0|1,0,2]=4 9660 B13R1.119 OCCCCNCCC1CCCC1 34a_100000739158_100011216708 [0,0,0,1,0,0|1,0,2]=4 9661 B13R1.119 OCCCCNCCC1CCCC1 34a_100000750430_100000760354 [0,0,0,1,0,0|1,0,2]=4 9662 B13R1.119 OCCCCOCCC1CCCC1 34a_100000749090_100011216708 [0,0,0,1,0,0|1,0,2]=4 9663 B13R1.119 OCCCCOCCC1CCCC1 7a_100000749090_100000210776 [0,0,0,1,0,0|1,0,2]=4 9664 B13R1.119 OCCCCSCCC1CCCC1 62a_100000210776_100000760354 [0,0,0,1,0,0|1,0,2]=4 9665 B13R1.119 OCCCCSCCC1CCCC1 62a_100000760354_100000210776 [0,0,0,1,0,0|1,0,2]=4 9666 B13R1.119 OCCCNCCCC1CCCC1 2230a_100000736752_100000230001 [0,0,0,1,0,0|1,0,2]=4 9667 B13R1.119 OCCCNCCCC1CCCC1 34a_100000736752_100000230001 [0,0,0,1,0,0|1,0,2]=4 9668 B13R1.119 OCCCOCCCC1CCCC1 34a_100011215328_100000230001 [0,0,0,1,0,0|1,0,2]=4 9669 B13R1.119 OCCCOCCCC1CCCC1 7a_100011215328_100011215043 [0,0,0,1,0,0|1,0,2]=4 9670 B13R1.119 OCCCSCCCC1CCCC1 62a_100011215043_100011713738 [0,0,0,1,0,0|1,0,2]=4 9671 B13R1.119 OCCCSCCCC1CCCC1 62a_100011713738_100011215043 [0,0,0,1,0,0|1,0,2]=4 9672 B13R1.137 C#CCCCCN1CCCC1CC 2230a_100000754278_100010269958 [0,0,0,1,0,0|2,0,1]=4 9673 B13R1.137 C#CCCCCN1CCCC1CC 269982a_100000754278_100010269958 [0,0,0,1,0,0|2,0,1]=4 9674 B13R1.137 C#CCCCCN1CCCC1CC 34a_100000754278_100010269958 [0,0,0,1,0,0|2,0,1]=4 9675 B13R1.137 C#CCCCNC1CCCC1CC 270004a_100000718082_100000749056 [0,0,0,1,0,0|2,0,1]=4 9676 B13R1.137 C=CCCCCN1CCCC1CC 2230a_100000754278_100011215482 [0,0,0,1,0,0|2,0,0]=3 9677 B13R1.137 C=CCCCCN1CCCC1CC 269982a_100000754278_100011215482 [0,0,0,1,0,0|2,0,0]=3 9678 B13R1.137 C=CCCCCN1CCCC1CC 34a_100000754278_100011215482 [0,0,0,1,0,0|2,0,0]=3 9679 B13R1.137 C=CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100011215482 [0,0,0,1,0,0|3,0,0]=4 9680 B13R1.137 C=CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100011215482 [0,0,0,1,0,0|3,0,0]=4 9681 B13R1.137 C=CCCCCN1CCC[C@@H]1CO 34a_100000745186_100011215482 [0,0,0,1,0,0|3,0,0]=4 9682 B13R1.137 C=CCCCNC1CCCC1CC 269862a_100000700776_100000749056 [0,0,0,1,0,0|2,0,0]=3 9683 B13R1.137 C=CCCCNC1CCCC1CC 270004a_100000700776_100000749056 [0,0,0,1,0,0|2,0,0]=3 9684 B13R1.137 C=CCCNCC1CCCN1CC 2230a_100000211693_100000754431 [0,0,0,1,0,0|3,0,0]=4 9685 B13R1.137 C=CCCOC[C@H]1CCCN1CC 34a_100011739246_100000754431 [0,0,0,1,0,0|3,0,0]=4 9686 B13R1.137 C=CCCOC[C@H]1CCCN1CC 7a_100011739246_100000754431 [0,0,0,1,0,0|3,0,0]=4 9687 B13R1.137 CCC1C=CCN1CCCCC=O 2230a_100000730860_100000139335 [0,0,0,1,0,0|1,0,2]=4 9688 B13R1.137 CCC1C=CCN1CCCCC=O 269982a_100000730860_100000139335 [0,0,0,1,0,0|1,0,2]=4 9689 B13R1.137 CCC1CCCC1NCCCCO 269862a_100000750430_100000749056 [0,0,0,1,0,0|1,0,2]=4 9690 B13R1.137 CCC1CCCC1NCCCCO 270004a_100000750430_100000749056 [0,0,0,1,0,0|1,0,2]=4 9691 B13R1.137 CCC1CCCC1NCCCOC 269862a_100150723488_100000749056 [0,0,0,1,0,0|3,0,0]=4 9692 B13R1.137 CCC1CCCC1NCCCOC 270004a_100150723488_100000749056 [0,0,0,1,0,0|3,0,0]=4 9693 B13R1.137 CCC1CCCC1NCCCSC 269862a_100000749238_100000749056 [0,0,0,1,0,0|3,0,0]=4 9694 B13R1.137 CCC1CCCC1NCCCSC 270004a_100000749238_100000749056 [0,0,0,1,0,0|3,0,0]=4 9695 B13R1.137 CCC1CCCN1CCCCC#N 2230a_100000754278_100000211819 [0,0,0,1,0,0|2,0,1]=4 9696 B13R1.137 CCC1CCCN1CCCCC#N 269982a_100000754278_100011219923 [0,0,0,1,0,0|2,0,1]=4 9697 B13R1.137 CCC1CCCN1CCCCC=O 2230a_100000754278_100000139335 [0,0,0,1,0,0|1,0,0]=2 9698 B13R1.137 CCC1CCCN1CCCCC=O 269982a_100000754278_100000139335 [0,0,0,1,0,0|1,0,0]=2 9699 B13R1.137 CCC1CCCN1CCCCCF 2230a_100000754278_100000729378 [0,0,0,1,0,0|2,0,1]=4 9700 B13R1.137 CCC1CCCN1CCCCCF 269982a_100000754278_100000729378 [0,0,0,1,0,0|2,0,1]=4 9701 B13R1.137 CCC1CCCN1CCCCCF 34a_100000754278_100000729378 [0,0,0,1,0,0|2,0,1]=4 9702 B13R1.137 CCC1CCCN1CCCCCO 2230a_100000754278_100000746330 [0,0,0,1,0,0|1,0,2]=4 9703 B13R1.137 CCC1CCCN1CCCCCO 269982a_100000754278_100000746330 [0,0,0,1,0,0|1,0,2]=4 9704 B13R1.137 CCC1CCCN1CCCCCO 34a_100000754278_100000746330 [0,0,0,1,0,0|1,0,2]=4 9705 B13R1.137 CCC1CCCN1CCCCOC 2230a_100000754278_100000730899 [0,0,0,1,0,0|3,0,0]=4 9706 B13R1.137 CCC1CCCN1CCCCOC 269982a_100000754278_100000730899 [0,0,0,1,0,0|3,0,0]=4 9707 B13R1.137 CCC1CCCN1CCCCOC 34a_100000754278_100000755781 [0,0,0,1,0,0|3,0,0]=4 9708 B13R1.137 CCCCCCC1CCCC1NC 269862a_106832991636_100000189428 [0,0,0,1,0,0|2,0,0]=3 9709 B13R1.137 CCCCCCC1CCCC1NC 270004a_106832991635_100000189428 [0,0,0,1,0,0|2,0,0]=3 9710 B13R1.137 CCCCCCN1CCCC1C#N 2230a_100000701862_100000210314 [0,0,0,1,0,0|2,0,1]=4 9711 B13R1.137 CCCCCCN1CCCC1CC 2230a_100000754278_100000210314 [0,0,0,1,0,0|2,0,1]=4 9712 B13R1.137 CCCCCCN1CCCC1CC 269982a_100000754278_100000210757 [0,0,0,1,0,0|2,0,1]=4 9713 B13R1.137 CCCCCCN1CCCC1CC 34a_100000754278_100000210314 [0,0,0,1,0,0|2,0,1]=4 9714 B13R1.137 CCCCCCN1CCC[C@@H]1C#N 2230a_106645074975_100000210314 [0,0,0,1,0,0|2,0,1]=4 9715 B13R1.137 CCCCCCN1CCC[C@@H]1C#N 269982a_106645074975_100000210757 [0,0,0,1,0,0|2,0,1]=4 9716 B13R1.137 CCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210314 [0,0,0,1,0,0|1,0,2]=4 9717 B13R1.137 CCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210757 [0,0,0,1,0,0|1,0,2]=4 9718 B13R1.137 CCCCCCN1CCC[C@@H]1CO 34a_100000745186_100000210314 [0,0,0,1,0,0|1,0,2]=4 9719 B13R1.137 CCCCCNC1CCCC1CC 269862a_100000209983_100000749056 [0,0,0,1,0,0|2,0,1]=4 9720 B13R1.137 CCCCCNC1CCCC1CC 270004a_100000209983_100000749056 [0,0,0,1,0,0|2,0,1]=4 9721 B13R1.137 CCCCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000718602 [0,0,0,1,0,0|2,0,1]=4 9722 B13R1.137 CCCCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000210326 [0,0,0,1,0,0|2,0,1]=4 9723 B13R1.137 N#CC1CCCN1CCCCC=O 2230a_100000701862_100000139335 [0,0,0,1,0,0|2,0,1]=4 9724 B13R1.137 N#C[C@@H]1CCC[C@H]1OCCCC=O 7a_100011907464_200011292268 [0,0,0,1,0,0|2,0,1]=4 9725 B13R1.137 N#C[C@H]1CCCN1CCCCC=O 2230a_106645074975_100000139335 [0,0,0,1,0,0|2,0,1]=4 9726 B13R1.137 N#C[C@H]1CCCN1CCCCC=O 269982a_106645074975_100000139335 [0,0,0,1,0,0|2,0,1]=4 9727 B13R1.137 O=CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000139335 [0,0,0,1,0,0|2,0,0]=3 9728 B13R1.137 O=CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000139335 [0,0,0,1,0,0|2,0,0]=3 9729 B13R1.192 C=CCCCCN1CCC1COC 2230a_100015195929_100011215482 [0,0,0,1,0,0|3,0,0]=4 9730 B13R1.192 C=CCCCCN1CCC1COC 269982a_100015195929_100011215482 [0,0,0,1,0,0|3,0,0]=4 9731 B13R1.192 C=CCCCCN1CCC1COC 34a_100015195929_100011215482 [0,0,0,1,0,0|3,0,0]=4 9732 B13R1.192 CCCCCCN1CCC1COC 2230a_100015195929_100000210314 [0,0,0,1,0,0|3,0,0]=4 9733 B13R1.192 CCCCCCN1CCC1COC 269982a_100015195929_100000210757 [0,0,0,1,0,0|3,0,0]=4 9734 B13R1.192 CCCCCCN1CCC1COC 34a_100015195929_100000210314 [0,0,0,1,0,0|3,0,0]=4 9735 B13R1.192 COCC1CCN1CCCCC=O 2230a_100015195929_100000139335 [0,0,0,1,0,0|2,0,0]=3 9736 B13R1.192 COCC1CCN1CCCCC=O 269982a_100015195929_100000139335 [0,0,0,1,0,0|2,0,0]=3 9737 B13R1.485 C#CCCN1CCCCC1CCC 2230a_100000701414_100000688953 [0,0,0,1,0,0|2,0,1]=4 9738 B13R1.485 C#CCCN1CCCCC1CCC 269982a_100000701414_100000730999 [0,0,0,1,0,0|2,0,1]=4 9739 B13R1.485 C#CCCN1CCCCC1CCC 34a_100000701414_100000688953 [0,0,0,1,0,0|2,0,1]=4 9740 B13R1.485 C#CCOC1CCCCC1CCC 34a_100011217265_100000184674 [0,0,0,1,0,0|2,0,1]=4 9741 B13R1.485 C#CCOC1CCCCC1CCC 7a_100011217265_100000038162 [0,0,0,1,0,0|2,0,1]=4 9742 B13R1.485 C/C=C/CN1CCCCC1CCC 269982a_100000701414_100102629194 [0,0,0,1,0,0|2,0,1]=4 9743 B13R1.485 C/C=C/CN1CCCCC1CCC 34a_100000701414_100102629194 [0,0,0,1,0,0|2,0,1]=4 9744 B13R1.485 C=CCC1CCCCC1NCCC 269862a_100020643023_100011214939 [0,0,0,1,0,0|2,0,0]=3 9745 B13R1.485 C=CCC1CCCCC1NCCC 270004a_100020643023_100011214939 [0,0,0,1,0,0|2,0,0]=3 9746 B13R1.485 C=CCC1CCCCC1NCCF 269862a_100000724931_100011214939 [0,0,0,1,0,0|3,0,0]=4 9747 B13R1.485 C=CCC1CCCCC1NCCO 269862a_100000210304_100011214939 [0,0,0,1,0,0|3,0,0]=4 9748 B13R1.485 C=CCC1CCCCC1NCCO 270004a_100000210304_100011214939 [0,0,0,1,0,0|3,0,0]=4 9749 B13R1.485 C=CCCN1CCCCC1CCC 2230a_100000701414_100000754431 [0,0,0,1,0,0|2,0,0]=3 9750 B13R1.485 C=CCCN1CCCCC1CCC 269982a_100000701414_100000754431 [0,0,0,1,0,0|2,0,0]=3 9751 B13R1.485 C=CCCN1CCCCC1CCC 34a_100000701414_100000754431 [0,0,0,1,0,0|2,0,0]=3 9752 B13R1.485 C=CCCN1CCCCC1CCO 2230a_100000211664_100000754431 [0,0,0,1,0,0|3,0,0]=4 9753 B13R1.485 C=CCCN1CCCCC1CCO 269982a_100000211664_100000754431 [0,0,0,1,0,0|3,0,0]=4 9754 B13R1.485 C=CCCN1CCCCC1CCO 34a_100000211664_100000754431 [0,0,0,1,0,0|3,0,0]=4 9755 B13R1.485 C=CCCN1CCCCC1COC 2230a_100015184032_100000754431 [0,0,0,1,0,0|3,0,0]=4 9756 B13R1.485 C=CCCN1CCCCC1COC 269982a_100015184032_100000754431 [0,0,0,1,0,0|3,0,0]=4 9757 B13R1.485 C=CCCN1CCCCC1COC 34a_100015184032_100000754431 [0,0,0,1,0,0|3,0,0]=4 9758 B13R1.485 C=CCCN1CCOCC1CCC 2230a_102495339903_100000754431 [0,0,0,1,0,0|3,0,0]=4 9759 B13R1.485 C=CCCN1CCOCC1CCC 269982a_102495339903_100000754431 [0,0,0,1,0,0|3,0,0]=4 9760 B13R1.485 C=CCCN1CCOCC1CCC 34a_102495339903_100000754431 [0,0,0,1,0,0|3,0,0]=4 9761 B13R1.485 C=CCN1CCCCC1CCCO 2230a_100011934581_100000210623 [0,0,0,1,0,0|3,0,0]=4 9762 B13R1.485 C=CCN1CCCCC1CCCO 269982a_100011934581_100000210623 [0,0,0,1,0,0|3,0,0]=4 9763 B13R1.485 C=CCN1CCCCC1CCCO 34a_100011934581_100015514636 [0,0,0,1,0,0|3,0,0]=4 9764 B13R1.485 C=CCN1CCCCC1CCOC 2230a_100015186528_100000210623 [0,0,0,1,0,0|3,0,0]=4 9765 B13R1.485 C=CCN1CCCCC1CCOC 269982a_100015186528_100000210623 [0,0,0,1,0,0|3,0,0]=4 9766 B13R1.485 C=CCN1CCCCC1CCOC 34a_100015186528_100015514636 [0,0,0,1,0,0|3,0,0]=4 9767 B13R1.485 C=CCNC1CCCCC1CCC 270004a_100020586998_100011218038 [0,0,0,1,0,0|2,0,0]=3 9768 B13R1.485 C=CCNC1CCCCC1OCC 270004a_100020586998_200000031474 [0,0,0,1,0,0|3,0,0]=4 9769 B13R1.485 C=CCOC1CCCCC1CCC 34a_100011217265_100015514636 [0,0,0,1,0,0|2,0,0]=3 9770 B13R1.485 C=CCOC1CCCCC1CCC 7a_100011217265_100015514636 [0,0,0,1,0,0|2,0,0]=3 9771 B13R1.485 CC=CCN1CCCCC1CCC 2230a_100000701414_100000070051 [0,0,0,1,0,0|2,0,1]=4 9772 B13R1.485 CC=CCN1CCCCC1CCC 34a_100000701414_100000070051 [0,0,0,1,0,0|2,0,1]=4 9773 B13R1.485 CCCC1CCCCC1NCCF 269862a_100000724931_100011218038 [0,0,0,1,0,0|2,0,1]=4 9774 B13R1.485 CCCC1CCCCC1NCCO 269862a_100000210304_100011218038 [0,0,0,1,0,0|1,0,2]=4 9775 B13R1.485 CCCC1CCCCC1NCCO 270004a_100000210304_100011218038 [0,0,0,1,0,0|1,0,2]=4 9776 B13R1.485 CCCC1CCCCC1OCC#N 7a_100011217265_100011215382 [0,0,0,1,0,0|2,0,1]=4 9777 B13R1.485 CCCC1CCCCC1OCC=O 34a_100011217265_200009817547 [0,0,0,1,0,0|1,0,0]=2 9778 B13R1.485 CCCC1CCCCC1OCC=O 7a_100011217265_200015260668 [0,0,0,1,0,0|1,0,0]=2 9779 B13R1.485 CCCC1CCCCC1OCCF 34a_100011217265_100011217306 [0,0,0,1,0,0|2,0,1]=4 9780 B13R1.485 CCCC1CCCCC1OCCF 7a_100011217265_100011217306 [0,0,0,1,0,0|2,0,1]=4 9781 B13R1.485 CCCC1CCCCC1OCCO 34a_100011217265_100000211926 [0,0,0,1,0,0|1,0,2]=4 9782 B13R1.485 CCCC1CCCCC1OCCO 7a_100011217265_100000211926 [0,0,0,1,0,0|1,0,2]=4 9783 B13R1.485 CCCC1CCCCC1OCSC 34a_100011217265_100011218213 [0,0,0,1,0,0|3,0,0]=4 9784 B13R1.485 CCCC1CCCCN1CCC#N 2230a_100000701414_100011215226 [0,0,0,1,0,0|2,0,1]=4 9785 B13R1.485 CCCC1CCCCN1CCC#N 269982a_100000701414_100011215226 [0,0,0,1,0,0|2,0,1]=4 9786 B13R1.485 CCCC1CCCCN1CCCF 2230a_100000701414_100011934791 [0,0,0,1,0,0|2,0,1]=4 9787 B13R1.485 CCCC1CCCCN1CCCF 269982a_100000701414_100011934791 [0,0,0,1,0,0|2,0,1]=4 9788 B13R1.485 CCCC1CCCCN1CCCF 34a_100000701414_100011934791 [0,0,0,1,0,0|2,0,1]=4 9789 B13R1.485 CCCC1CCCCN1CCCO 2230a_100000701414_100000230001 [0,0,0,1,0,0|1,0,2]=4 9790 B13R1.485 CCCC1CCCCN1CCCO 269982a_100000701414_100011215043 [0,0,0,1,0,0|1,0,2]=4 9791 B13R1.485 CCCC1CCCCN1CCCO 34a_100000701414_100000230001 [0,0,0,1,0,0|1,0,2]=4 9792 B13R1.485 CCCC1CCCCN1CCOC 2230a_100000701414_100011201679 [0,0,0,1,0,0|3,0,0]=4 9793 B13R1.485 CCCC1CCCCN1CCOC 269982a_100000701414_100000233755 [0,0,0,1,0,0|3,0,0]=4 9794 B13R1.485 CCCC1CCCCN1CCOC 34a_100000701414_100011201679 [0,0,0,1,0,0|3,0,0]=4 9795 B13R1.485 CCCC1CCCCN1CCSC 2230a_100000701414_100000751147 [0,0,0,1,0,0|3,0,0]=4 9796 B13R1.485 CCCC1CCCCN1CCSC 269982a_100000701414_100000212216 [0,0,0,1,0,0|3,0,0]=4 9797 B13R1.485 CCCC1CCCCN1CCSC 34a_100000701414_100000212216 [0,0,0,1,0,0|3,0,0]=4 9798 B13R1.485 CCCCN1CCCCC1CC#N 2230a_100000133382_100000210211 [0,0,0,1,0,0|2,0,1]=4 9799 B13R1.485 CCCCN1CCCCC1CC#N 34a_100000133382_100000210210 [0,0,0,1,0,0|2,0,1]=4 9800 B13R1.485 CCCCN1CCCCC1CCC 2230a_100000701414_100000210211 [0,0,0,1,0,0|2,0,1]=4 9801 B13R1.485 CCCCN1CCCCC1CCC 269982a_100000701414_100000210211 [0,0,0,1,0,0|2,0,1]=4 9802 B13R1.485 CCCCN1CCCCC1CCC 34a_100000701414_100000210210 [0,0,0,1,0,0|2,0,1]=4 9803 B13R1.485 CCCCN1CCCCC1CCO 2230a_100000211664_100000210211 [0,0,0,1,0,0|1,0,2]=4 9804 B13R1.485 CCCCN1CCCCC1CCO 269982a_100000211664_100000210211 [0,0,0,1,0,0|1,0,2]=4 9805 B13R1.485 CCCCN1CCCCC1CCO 34a_100000211664_100000210210 [0,0,0,1,0,0|1,0,2]=4 9806 B13R1.485 CCCCN1CCCCC1COC 2230a_100015184032_100000210211 [0,0,0,1,0,0|3,0,0]=4 9807 B13R1.485 CCCCN1CCCCC1COC 269982a_100015184032_100000210211 [0,0,0,1,0,0|3,0,0]=4 9808 B13R1.485 CCCCN1CCCCC1COC 34a_100015184032_100000210210 [0,0,0,1,0,0|3,0,0]=4 9809 B13R1.485 CCCN1CCCCC1CCCO 2230a_100011934581_100000210303 [0,0,0,1,0,0|1,0,2]=4 9810 B13R1.485 CCCN1CCCCC1CCCO 269982a_100011934581_100000210303 [0,0,0,1,0,0|1,0,2]=4 9811 B13R1.485 CCCN1CCCCC1CCCO 34a_100011934581_100000210303 [0,0,0,1,0,0|1,0,2]=4 9812 B13R1.485 CCCN1CCCCC1CCOC 2230a_100015186528_100000210303 [0,0,0,1,0,0|3,0,0]=4 9813 B13R1.485 CCCN1CCCCC1CCOC 269982a_100015186528_100000210303 [0,0,0,1,0,0|3,0,0]=4 9814 B13R1.485 CCCN1CCCCC1CCOC 34a_100015186528_100000210303 [0,0,0,1,0,0|3,0,0]=4 9815 B13R1.485 CCCNC1CCCCC1CC#N 270004a_100020643023_100009866218 [0,0,0,1,0,0|2,0,1]=4 9816 B13R1.485 CCCNC1CCCCC1CCC 269862a_100020643023_100011218038 [0,0,0,1,0,0|2,0,1]=4 9817 B13R1.485 CCCNC1CCCCC1CCC 270004a_100020643023_100011218038 [0,0,0,1,0,0|2,0,1]=4 9818 B13R1.485 CCCOC1CCCCC1CCC 34a_100011217265_100000210303 [0,0,0,1,0,0|2,0,1]=4 9819 B13R1.485 CCCOC1CCCCC1CCC 7a_100011217265_100000210303 [0,0,0,1,0,0|2,0,1]=4 9820 B13R1.485 CCNC1CCCCC1CCC#N 270004a_100015525214_100000034616 [0,0,0,1,0,0|2,0,1]=4 9821 B13R1.485 COCCC1CCCCN1CC=O 2230a_100015186528_200015260668 [0,0,0,1,0,0|2,0,0]=3 9822 B13R1.485 COCCC1CCCCN1CC=O 269982a_100015186528_200015260668 [0,0,0,1,0,0|2,0,0]=3 9823 B13R1.485 COCCC1CCCCN1CC=O 34a_100015186528_200009817547 [0,0,0,1,0,0|2,0,0]=3 9824 B13R1.485 O=CCN1CCCCC1CCCO 2230a_100011934581_200015260668 [0,0,0,1,0,0|2,0,0]=3 9825 B13R1.485 O=CCN1CCCCC1CCCO 269982a_100011934581_200015260668 [0,0,0,1,0,0|2,0,0]=3 9826 B13R1.485 O=CCN1CCCCC1CCCO 34a_100011934581_200009817547 [0,0,0,1,0,0|2,0,0]=3 9827 B13R1.489 C#CCCN1CCCCCCCC1 2230a_100000039187_100000688953 [0,0,0,1,0,0|2,0,1]=4 9828 B13R1.489 C#CCCN1CCCCCCCC1 269982a_100000039187_100000730999 [0,0,0,1,0,0|2,0,1]=4 9829 B13R1.489 C#CCCN1CCCCCCCC1 34a_100000039187_100000688953 [0,0,0,1,0,0|2,0,1]=4 9830 B13R1.489 C/C=C/CN1CCCCCCCC1 269982a_100000039187_100102629194 [0,0,0,1,0,0|2,0,1]=4 9831 B13R1.489 C/C=C/CN1CCCCCCCC1 34a_100000039187_100102629194 [0,0,0,1,0,0|2,0,1]=4 9832 B13R1.489 C=CCCN1CCCCCCCC1 2230a_100000039187_100000754431 [0,0,0,1,0,0|2,0,0]=3 9833 B13R1.489 C=CCCN1CCCCCCCC1 269982a_100000039187_100000754431 [0,0,0,1,0,0|2,0,0]=3 9834 B13R1.489 C=CCCN1CCCCCCCC1 34a_100000039187_100000754431 [0,0,0,1,0,0|2,0,0]=3 9835 B13R1.489 C=CCNC1CCCCCCCC1 270004a_100020586998_100000038600 [0,0,0,1,0,0|2,0,0]=3 9836 B13R1.489 CC=CCN1CCCCCCCC1 2230a_100000039187_100000070051 [0,0,0,1,0,0|2,0,1]=4 9837 B13R1.489 CC=CCN1CCCCCCCC1 34a_100000039187_100000070051 [0,0,0,1,0,0|2,0,1]=4 9838 B13R1.489 CCCCN1CCCCCCCC1 2230a_100000039187_100000210211 [0,0,0,1,0,0|2,0,1]=4 9839 B13R1.489 CCCCN1CCCCCCCC1 269982a_100000039187_100000210211 [0,0,0,1,0,0|2,0,1]=4 9840 B13R1.489 CCCCN1CCCCCCCC1 34a_100000039187_100000210210 [0,0,0,1,0,0|2,0,1]=4 9841 B13R1.489 CCCNC1CCCCCCCC1 270004a_100020643023_100000038600 [0,0,0,1,0,0|2,0,1]=4 9842 B13R1.489 COCCN1CCCCCCCC1 2230a_100000039187_100011201679 [0,0,0,1,0,0|3,0,0]=4 9843 B13R1.489 COCCN1CCCCCCCC1 269982a_100000039187_100000233755 [0,0,0,1,0,0|3,0,0]=4 9844 B13R1.489 COCCN1CCCCCCCC1 34a_100000039187_100011201679 [0,0,0,1,0,0|3,0,0]=4 9845 B13R1.489 CSCCN1CCCCCCCC1 2230a_100000039187_100000751147 [0,0,0,1,0,0|3,0,0]=4 9846 B13R1.489 CSCCN1CCCCCCCC1 269982a_100000039187_100000212216 [0,0,0,1,0,0|3,0,0]=4 9847 B13R1.489 CSCCN1CCCCCCCC1 34a_100000039187_100000212216 [0,0,0,1,0,0|3,0,0]=4 9848 B13R1.489 FCCCN1CCCCCCCC1 2230a_100000039187_100011934791 [0,0,0,1,0,0|2,0,1]=4 9849 B13R1.489 FCCCN1CCCCCCCC1 269982a_100000039187_100011934791 [0,0,0,1,0,0|2,0,1]=4 9850 B13R1.489 FCCCN1CCCCCCCC1 34a_100000039187_100011934791 [0,0,0,1,0,0|2,0,1]=4 9851 B13R1.489 N#CCCN1CCCCCCCC1 2230a_100000039187_100011215226 [0,0,0,1,0,0|2,0,1]=4 9852 B13R1.489 N#CCCN1CCCCCCCC1 269982a_100000039187_100011215226 [0,0,0,1,0,0|2,0,1]=4 9853 B13R1.489 OCCCN1CCCCCCCC1 2230a_100000039187_100000230001 [0,0,0,1,0,0|1,0,2]=4 9854 B13R1.489 OCCCN1CCCCCCCC1 269982a_100000039187_100011215043 [0,0,0,1,0,0|1,0,2]=4 9855 B13R1.489 OCCCN1CCCCCCCC1 34a_100000039187_100000230001 [0,0,0,1,0,0|1,0,2]=4 9856 B13R1.489 OCCNC1CCCCCCCC1 270004a_100000210304_100000038600 [0,0,0,1,0,0|1,0,2]=4 9857 B13R1.555 C#CCCCCN1CCCCC1C 2230a_100000211376_100010269958 [0,0,0,1,0,0|2,0,1]=4 9858 B13R1.555 C#CCCCCN1CCCCC1C 269982a_100000211376_100010269958 [0,0,0,1,0,0|2,0,1]=4 9859 B13R1.555 C#CCCCCN1CCCCC1C 34a_100000211376_100010269958 [0,0,0,1,0,0|2,0,1]=4 9860 B13R1.555 C#CCCCNC1CCCCC1=O 34a_100000718082_100000754470 [0,0,0,1,0,0|1,0,2]=4 9861 B13R1.555 C#CCCCNC1CCCCC1C 2230a_100000211402_100000731252 [0,0,0,1,0,0|2,0,1]=4 9862 B13R1.555 C#CCCCNC1CCCCC1C 270004a_100000718082_100000210921 [0,0,0,1,0,0|2,0,1]=4 9863 B13R1.555 C#CCCCNC1CCCCC1C 34a_100000211402_100000695029 [0,0,0,1,0,0|2,0,1]=4 9864 B13R1.555 C#CCCCOC1CCCCC1=O 34a_100000215630_100000754470 [0,0,0,1,0,0|1,0,2]=4 9865 B13R1.555 C#CCCCOC1CCCCC1=O 34a_100011214950_100000695029 [0,0,0,1,0,0|1,0,2]=4 9866 B13R1.555 C#CCCCOC1CCCCC1=O 7a_100000215630_100000204591 [0,0,0,1,0,0|1,0,2]=4 9867 B13R1.555 C#CCCCOC1CCCCC1C 34a_100000211207_100000695029 [0,0,0,1,0,0|2,0,1]=4 9868 B13R1.555 C#CCCCOC1CCCCC1C 7a_100000211207_100011215417 [0,0,0,1,0,0|2,0,1]=4 9869 B13R1.555 C#CCCCSC1CCCCC1=O 62a_100000204591_100011215417 [0,0,0,1,0,0|1,0,2]=4 9870 B13R1.555 C#CCCCSC1CCCCC1=O 62a_100011215417_100000204591 [0,0,0,1,0,0|1,0,2]=4 9871 B13R1.555 C#CCCOCC1CCCCC1=O 34a_100009861125_100000688953 [0,0,0,1,0,0|1,0,2]=4 9872 B13R1.555 C#CCCOCC1CCCCC1=O 7a_100009861125_100000688953 [0,0,0,1,0,0|1,0,2]=4 9873 B13R1.555 C/C=C/CCOC1CCCCC1=O 34a_100016278192_100000754470 [0,0,0,1,0,0|1,0,2]=4 9874 B13R1.555 C/C=C/COCC1CCCCC1=O 34a_100009861125_100102629194 [0,0,0,1,0,0|1,0,2]=4 9875 B13R1.555 C/C=C/COCC1CCCCC1=O 7a_100009861125_100102629194 [0,0,0,1,0,0|1,0,2]=4 9876 B13R1.555 C=CCCCCN1CCCCC1C 2230a_100000211376_100011215482 [0,0,0,1,0,0|2,0,0]=3 9877 B13R1.555 C=CCCCCN1CCCCC1C 269982a_100000211376_100011215482 [0,0,0,1,0,0|2,0,0]=3 9878 B13R1.555 C=CCCCCN1CCCCC1C 34a_100000211376_100011215482 [0,0,0,1,0,0|2,0,0]=3 9879 B13R1.555 C=CCCCCN1CCOC[C@@H]1C 2230a_100009815349_100011215482 [0,0,0,1,0,0|3,0,0]=4 9880 B13R1.555 C=CCCCCN1CCOC[C@@H]1C 269982a_100009815349_100011215482 [0,0,0,1,0,0|3,0,0]=4 9881 B13R1.555 C=CCCCCN1CCOC[C@@H]1C 34a_100009815349_100011215482 [0,0,0,1,0,0|3,0,0]=4 9882 B13R1.555 C=CCCCNC1CCCCC1=O 34a_100000700776_100000754470 [0,0,0,1,0,0|1,0,2]=4 9883 B13R1.555 C=CCCCNC1CCCCC1C 2230a_100000211402_100011713584 [0,0,0,1,0,0|2,0,0]=3 9884 B13R1.555 C=CCCCNC1CCCCC1C 269862a_100000700776_100000210921 [0,0,0,1,0,0|2,0,0]=3 9885 B13R1.555 C=CCCCNC1CCCCC1C 270004a_100000700776_100000210921 [0,0,0,1,0,0|2,0,0]=3 9886 B13R1.555 C=CCCCNC1CCCCC1C 34a_100000211402_100000757094 [0,0,0,1,0,0|2,0,0]=3 9887 B13R1.555 C=CCCCNC1CCCCC1F 34a_100000700776_100015423560 [0,0,0,1,0,0|3,0,0]=4 9888 B13R1.555 C=CCCCNC1CCCCC1O 34a_100000700776_100000038908 [0,0,0,1,0,0|3,0,0]=4 9889 B13R1.555 C=CCCCNC1CCNCC1C 270004a_100000700776_100000703950 [0,0,0,1,0,0|3,0,0]=4 9890 B13R1.555 C=CCCCNC1CCOCC1C 270004a_100000700776_100000755695 [0,0,0,1,0,0|3,0,0]=4 9891 B13R1.555 C=CCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011713584 [0,0,0,1,0,0|3,0,0]=4 9892 B13R1.555 C=CCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000757094 [0,0,0,1,0,0|3,0,0]=4 9893 B13R1.555 C=CCCCOC1CCCCC1=O 34a_100000758997_100000754470 [0,0,0,1,0,0|1,0,2]=4 9894 B13R1.555 C=CCCCOC1CCCCC1=O 34a_100011214950_100000757094 [0,0,0,1,0,0|1,0,2]=4 9895 B13R1.555 C=CCCCOC1CCCCC1=O 7a_100000758997_100000204591 [0,0,0,1,0,0|1,0,2]=4 9896 B13R1.555 C=CCCCOC1CCCCC1C 34a_100000211207_100000757094 [0,0,0,1,0,0|2,0,0]=3 9897 B13R1.555 C=CCCCOC1CCCCC1C 7a_100000211207_100000757094 [0,0,0,1,0,0|2,0,0]=3 9898 B13R1.555 C=CCCCOC1CCCCC1Cl 34a_100000038908_100000757094 [0,0,0,1,0,0|3,0,0]=4 9899 B13R1.555 C=CCCCOC1CCCCC1Cl 7a_100000038908_100000757094 [0,0,0,1,0,0|3,0,0]=4 9900 B13R1.555 C=CCCCOC1CCCCC1F 34a_100000758997_100015423560 [0,0,0,1,0,0|3,0,0]=4 9901 B13R1.555 C=CCCCOC1CCCCC1O 34a_100000758997_100000038908 [0,0,0,1,0,0|3,0,0]=4 9902 B13R1.555 C=CCCCOC1CCNCC1C 34a_100011998114_100000757094 [0,0,0,1,0,0|3,0,0]=4 9903 B13R1.555 C=CCCCOC1CNCCC1C 34a_100000696640_100000757094 [0,0,0,1,0,0|3,0,0]=4 9904 B13R1.555 C=CCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000757094 [0,0,0,1,0,0|3,0,0]=4 9905 B13R1.555 C=CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000757094 [0,0,0,1,0,0|3,0,0]=4 9906 B13R1.555 C=CCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000757094 [0,0,0,1,0,0|3,0,0]=4 9907 B13R1.555 C=CCCCSC1CCCCC1=O 62a_100000204591_100000757094 [0,0,0,1,0,0|1,0,2]=4 9908 B13R1.555 C=CCCCSC1CCCCC1=O 62a_100011713584_100000204591 [0,0,0,1,0,0|1,0,2]=4 9909 B13R1.555 C=CCCCSC1CCCCC1F 62a_100011713584_100015423560 [0,0,0,1,0,0|3,0,0]=4 9910 B13R1.555 C=CCCCSC1CCCCC1F 62a_100015423560_100000757094 [0,0,0,1,0,0|3,0,0]=4 9911 B13R1.555 C=CCCCSC1CCCCC1O 62a_100000038908_100000757094 [0,0,0,1,0,0|3,0,0]=4 9912 B13R1.555 C=CCCCSC1CCCCC1O 62a_100011713584_100000038908 [0,0,0,1,0,0|3,0,0]=4 9913 B13R1.555 C=CCCNCC1CCCCC1O 34a_100011216029_100000754431 [0,0,0,1,0,0|3,0,0]=4 9914 B13R1.555 C=CCCNCC1CCCCN1C 34a_100011228421_100000754431 [0,0,0,1,0,0|3,0,0]=4 9915 B13R1.555 C=CCCOCC1CCCCC1=O 34a_100009861125_100000754431 [0,0,0,1,0,0|1,0,2]=4 9916 B13R1.555 C=CCCOCC1CCCCC1=O 7a_100009861125_100000754431 [0,0,0,1,0,0|1,0,2]=4 9917 B13R1.555 C=CCCOCC1CCCCN1C 34a_100000225079_100000754431 [0,0,0,1,0,0|3,0,0]=4 9918 B13R1.555 C=CCCOCC1CCCCN1C 34a_100011205117_100015186950 [0,0,0,1,0,0|3,0,0]=4 9919 B13R1.555 C=CCCSCC1CCCCN1C 62a_100000754431_100015185383 [0,0,0,1,0,0|3,0,0]=4 9920 B13R1.555 C=CCCSCC1CCCCN1C 62a_100015185383_100000754431 [0,0,0,1,0,0|3,0,0]=4 9921 B13R1.555 C=CCNCCC1CCCCN1C 2230a_100020586998_100000211948 [0,0,0,1,0,0|3,0,0]=4 9922 B13R1.555 C=CCNCCN1CCCCC1C 2230a_100000739827_100000210623 [0,0,0,1,0,0|3,0,0]=4 9923 B13R1.555 C=CCNCCN1CCCCC1C 34a_100000739827_100015514636 [0,0,0,1,0,0|3,0,0]=4 9924 B13R1.555 C=CCOCCC1CCCCN1C 34a_200000210373_100000211948 [0,0,0,1,0,0|3,0,0]=4 9925 B13R1.555 C=CCOCCN1CCCCC1C 34a_100011305533_100015514636 [0,0,0,1,0,0|3,0,0]=4 9926 B13R1.555 C=CCSCCC1CCCCN1C 62a_100000210623_100000211948 [0,0,0,1,0,0|3,0,0]=4 9927 B13R1.555 C=CCSCCC1CCCCN1C 62a_100000211948_100000210623 [0,0,0,1,0,0|3,0,0]=4 9928 B13R1.555 C=COCCNC1CCCCC1C 2230a_100000211402_100000039644 [0,0,0,1,0,0|3,0,0]=4 9929 B13R1.555 C=COCCNC1CCCCC1C 34a_100000211402_100000039644 [0,0,0,1,0,0|3,0,0]=4 9930 B13R1.555 C=COCCOC1CCCCC1C 34a_100000211207_100000039644 [0,0,0,1,0,0|3,0,0]=4 9931 B13R1.555 C=COCCOC1CCCCC1C 7a_100000211207_100000039644 [0,0,0,1,0,0|3,0,0]=4 9932 B13R1.555 CC#CCCOC1CCCCC1=O 34a_100000750427_100000754470 [0,0,0,1,0,0|1,0,2]=4 9933 B13R1.555 CC#CCOCC1CCCCC1=O 34a_100009861125_100000748600 [0,0,0,1,0,0|1,0,2]=4 9934 B13R1.555 CC#CCOCC1CCCCC1=O 7a_100009861125_100000748600 [0,0,0,1,0,0|1,0,2]=4 9935 B13R1.555 CC/C=C\COC1CCCCC1=O 34a_100011214950_100103147603 [0,0,0,1,0,0|1,0,2]=4 9936 B13R1.555 CC/C=C\COC1CCCCC1=O 34a_100016268518_100000754470 [0,0,0,1,0,0|1,0,2]=4 9937 B13R1.555 CC/C=C\CSC1CCCCC1=O 62a_100000204591_100103147603 [0,0,0,1,0,0|1,0,2]=4 9938 B13R1.555 CC/C=C\CSC1CCCCC1=O 62a_100103147603_100000204591 [0,0,0,1,0,0|1,0,2]=4 9939 B13R1.555 CC1CCCCC1NCCCC#N 2230a_100000211402_100000687738 [0,0,0,1,0,0|2,0,1]=4 9940 B13R1.555 CC1CCCCC1NCCCC=O 2230a_100000211402_200011292268 [0,0,0,1,0,0|1,0,0]=2 9941 B13R1.555 CC1CCCCC1NCCCCF 2230a_100000211402_100000729493 [0,0,0,1,0,0|2,0,1]=4 9942 B13R1.555 CC1CCCCC1NCCCCF 34a_100000211402_100000729493 [0,0,0,1,0,0|2,0,1]=4 9943 B13R1.555 CC1CCCCC1NCCCCO 2230a_100000211402_100000210776 [0,0,0,1,0,0|1,0,2]=4 9944 B13R1.555 CC1CCCCC1NCCCCO 269862a_100000750430_100000210921 [0,0,0,1,0,0|1,0,2]=4 9945 B13R1.555 CC1CCCCC1NCCCCO 270004a_100000750430_100000210921 [0,0,0,1,0,0|1,0,2]=4 9946 B13R1.555 CC1CCCCC1NCCCCO 34a_100000211402_100011216708 [0,0,0,1,0,0|1,0,2]=4 9947 B13R1.555 CC1CCCCC1OCCCC#N 7a_100000211207_100000687738 [0,0,0,1,0,0|2,0,1]=4 9948 B13R1.555 CC1CCCCC1OCCCC=O 7a_100000211207_200011292268 [0,0,0,1,0,0|1,0,0]=2 9949 B13R1.555 CC1CCCCC1OCCCCF 34a_100000211207_100000729493 [0,0,0,1,0,0|2,0,1]=4 9950 B13R1.555 CC1CCCCC1OCCCCF 7a_100000211207_100000729493 [0,0,0,1,0,0|2,0,1]=4 9951 B13R1.555 CC1CCCCC1OCCCCO 34a_100000211207_100011216708 [0,0,0,1,0,0|1,0,2]=4 9952 B13R1.555 CC1CCCCC1OCCCCO 7a_100000211207_100000210776 [0,0,0,1,0,0|1,0,2]=4 9953 B13R1.555 CC1CCCCN1CCCCC#N 2230a_100000211376_100000211819 [0,0,0,1,0,0|2,0,1]=4 9954 B13R1.555 CC1CCCCN1CCCCC#N 269982a_100000211376_100011219923 [0,0,0,1,0,0|2,0,1]=4 9955 B13R1.555 CC1CCCCN1CCCCC=O 2230a_100000211376_100000139335 [0,0,0,1,0,0|1,0,0]=2 9956 B13R1.555 CC1CCCCN1CCCCC=O 269982a_100000211376_100000139335 [0,0,0,1,0,0|1,0,0]=2 9957 B13R1.555 CC1CCCCN1CCCCCF 2230a_100000211376_100000729378 [0,0,0,1,0,0|2,0,1]=4 9958 B13R1.555 CC1CCCCN1CCCCCF 269982a_100000211376_100000729378 [0,0,0,1,0,0|2,0,1]=4 9959 B13R1.555 CC1CCCCN1CCCCCF 34a_100000211376_100000729378 [0,0,0,1,0,0|2,0,1]=4 9960 B13R1.555 CC1CCCCN1CCCCCO 2230a_100000211376_100000746330 [0,0,0,1,0,0|1,0,2]=4 9961 B13R1.555 CC1CCCCN1CCCCCO 269982a_100000211376_100000746330 [0,0,0,1,0,0|1,0,2]=4 9962 B13R1.555 CC1CCCCN1CCCCCO 34a_100000211376_100000746330 [0,0,0,1,0,0|1,0,2]=4 9963 B13R1.555 CC1CCCCN1CCNCC=O 2230a_100000739827_200015260668 [0,0,0,1,0,0|2,0,0]=3 9964 B13R1.555 CC1CCCCN1CCNCC=O 34a_100000739827_200009817547 [0,0,0,1,0,0|2,0,0]=3 9965 B13R1.555 CC1CCCCN1CCOCC=O 34a_100011305533_200009817547 [0,0,0,1,0,0|2,0,0]=3 9966 B13R1.555 CC=CCOCC1CCCCC1=O 34a_100009861125_100000070051 [0,0,0,1,0,0|1,0,2]=4 9967 B13R1.555 CC=CCOCC1CCCCC1=O 7a_100009861125_100000070051 [0,0,0,1,0,0|1,0,2]=4 9968 B13R1.555 CCC#CCOC1CCCCC1=O 34a_100000032950_100000754470 [0,0,0,1,0,0|1,0,2]=4 9969 B13R1.555 CCC#CCOC1CCCCC1=O 34a_100011214950_100009813939 [0,0,0,1,0,0|1,0,2]=4 9970 B13R1.555 CCC#CCSC1CCCCC1=O 62a_100000204591_100009813939 [0,0,0,1,0,0|1,0,2]=4 9971 B13R1.555 CCC#CCSC1CCCCC1=O 62a_100009813939_100000204591 [0,0,0,1,0,0|1,0,2]=4 9972 B13R1.555 CCCCCCN1CCCCC1C 2230a_100000211376_100000210314 [0,0,0,1,0,0|2,0,1]=4 9973 B13R1.555 CCCCCCN1CCCCC1C 269982a_100000211376_100000210757 [0,0,0,1,0,0|2,0,1]=4 9974 B13R1.555 CCCCCCN1CCCCC1C 34a_100000211376_100000210314 [0,0,0,1,0,0|2,0,1]=4 9975 B13R1.555 CCCCCNC1CCCCC1C 2230a_100000211402_100000210326 [0,0,0,1,0,0|2,0,1]=4 9976 B13R1.555 CCCCCNC1CCCCC1C 269862a_100000209983_100000210921 [0,0,0,1,0,0|2,0,1]=4 9977 B13R1.555 CCCCCNC1CCCCC1C 270004a_100000209983_100000210921 [0,0,0,1,0,0|2,0,1]=4 9978 B13R1.555 CCCCCNC1CCCCC1C 34a_100000211402_100000718602 [0,0,0,1,0,0|2,0,1]=4 9979 B13R1.555 CCCCCNC1CCCNC1=O 2230a_100000209983_100000687798 [0,0,0,1,0,0|2,0,0]=3 9980 B13R1.555 CCCCCNC1CCCNC1=O 2230a_100000747585_100000210326 [0,0,0,1,0,0|2,0,0]=3 9981 B13R1.555 CCCCCNC1CCCNC1=O 34a_100000747585_100000718602 [0,0,0,1,0,0|2,0,0]=3 9982 B13R1.555 CCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210326 [0,0,0,1,0,0|2,0,1]=4 9983 B13R1.555 CCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000718602 [0,0,0,1,0,0|2,0,1]=4 9984 B13R1.555 CCCCCOC1CCCCC1=O 34a_100000210253_100000754470 [0,0,0,1,0,0|1,0,0]=2 9985 B13R1.555 CCCCCOC1CCCCC1=O 34a_100011214950_100000718602 [0,0,0,1,0,0|1,0,0]=2 9986 B13R1.555 CCCCCOC1CCCCC1=O 7a_100000210253_100000204591 [0,0,0,1,0,0|1,0,0]=2 9987 B13R1.555 CCCCCOC1CCCCC1C 34a_100000211207_100000718602 [0,0,0,1,0,0|2,0,1]=4 9988 B13R1.555 CCCCCOC1CCCCC1C 7a_100000211207_100000210326 [0,0,0,1,0,0|2,0,1]=4 9989 B13R1.555 CCCCCOC1CCCCC1Cl 34a_100000038908_100000718602 [0,0,0,1,0,0|2,0,1]=4 9990 B13R1.555 CCCCCOC1CCCCC1Cl 7a_100000038908_100000210326 [0,0,0,1,0,0|2,0,1]=4 9991 B13R1.555 CCCCCOC1CCCCC1F 34a_100000210253_100015423560 [0,0,0,1,0,0|2,0,1]=4 9992 B13R1.555 CCCCCOC1CCCCC1O 34a_100000210253_100000038908 [0,0,0,1,0,0|1,0,2]=4 9993 B13R1.555 CCCCCOC1CCCNC1=O 34a_100000073722_100000718602 [0,0,0,1,0,0|2,0,0]=3 9994 B13R1.555 CCCCCOC1CCCNC1=O 34a_100000210253_100000687798 [0,0,0,1,0,0|2,0,0]=3 9995 B13R1.555 CCCCCOC1CCCNC1=O 7a_100000210253_100000687798 [0,0,0,1,0,0|2,0,0]=3 9996 B13R1.555 CCCCCOC1COCCC1=O 34a_100000210253_100012180262 [0,0,0,1,0,0|2,0,0]=3 9997 B13R1.555 CCCCCOC1COCCC1=O 7a_100000210253_100012180262 [0,0,0,1,0,0|2,0,0]=3 9998 B13R1.555 CCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000718602 [0,0,0,1,0,0|2,0,1]=4 9999 B13R1.555 CCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210326 [0,0,0,1,0,0|2,0,1]=4 10000 B13R1.555 CCCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000718602 [0,0,0,1,0,0|2,0,1]=4 10001 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000204591_100000210326 [0,0,0,1,0,0|1,0,0]=2 10002 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000210326_100000204591 [0,0,0,1,0,0|1,0,0]=2 10003 B13R1.555 CCCCCSC1CCCCC1F 62a_100000210326_100015423560 [0,0,0,1,0,0|2,0,1]=4 10004 B13R1.555 CCCCCSC1CCCCC1F 62a_100015423560_100000210326 [0,0,0,1,0,0|2,0,1]=4 10005 B13R1.555 CCCCCSC1CCCCC1O 62a_100000038908_100000210326 [0,0,0,1,0,0|1,0,2]=4 10006 B13R1.555 CCCCCSC1CCCCC1O 62a_100000210326_100000038908 [0,0,0,1,0,0|1,0,2]=4 10007 B13R1.555 CCCCCSC1CCCNC1=O 62a_100000210326_100000687798 [0,0,0,1,0,0|2,0,0]=3 10008 B13R1.555 CCCCCSC1CCCNC1=O 62a_100000687798_100000210326 [0,0,0,1,0,0|2,0,0]=3 10009 B13R1.555 CCCCCSC1COCCC1=O 62a_100000210326_100012180262 [0,0,0,1,0,0|2,0,0]=3 10010 B13R1.555 CCCCCSC1COCCC1=O 62a_100012180262_100000210326 [0,0,0,1,0,0|2,0,0]=3 10011 B13R1.555 CCCCNCC1CCCCC1O 34a_100011216029_100000210210 [0,0,0,1,0,0|1,0,2]=4 10012 B13R1.555 CCCCNCC1CCCCN1C 34a_100011228421_100000210210 [0,0,0,1,0,0|3,0,0]=4 10013 B13R1.555 CCCCNCC1CCCCN1C 7a_106832991798_100015185383 [0,0,0,1,0,0|3,0,0]=4 10014 B13R1.555 CCCCOCC1CCCCC1=O 34a_100009861125_100000210210 [0,0,0,1,0,0|1,0,0]=2 10015 B13R1.555 CCCCOCC1CCCCC1=O 7a_100009861125_100000210211 [0,0,0,1,0,0|1,0,0]=2 10016 B13R1.555 CCCCOCC1CCCCN1C 34a_100000210227_100015186950 [0,0,0,1,0,0|3,0,0]=4 10017 B13R1.555 CCCCOCC1CCCCN1C 34a_100000225079_100000210210 [0,0,0,1,0,0|3,0,0]=4 10018 B13R1.555 CCCCOCC1CCCCN1C 7a_100000210227_100015185383 [0,0,0,1,0,0|3,0,0]=4 10019 B13R1.555 CCCCSCC1CCCCN1C 62a_100000210211_100015185383 [0,0,0,1,0,0|3,0,0]=4 10020 B13R1.555 CCCCSCC1CCCCN1C 62a_100015185383_100000210210 [0,0,0,1,0,0|3,0,0]=4 10021 B13R1.555 CCCNCCN1CCCCC1=O 2230a_100160573077_100000210303 [0,0,0,1,0,0|2,0,0]=3 10022 B13R1.555 CCCNCCN1CCCCC1=O 34a_100160573077_100000210303 [0,0,0,1,0,0|2,0,0]=3 10023 B13R1.555 CCCOCCC1CCCCN1C 34a_100000210258_100000211948 [0,0,0,1,0,0|3,0,0]=4 10024 B13R1.555 CCCOCCC1NCCNC1=O 34a_100000044719_100000210303 [0,0,0,1,0,0|3,0,0]=4 10025 B13R1.555 CCCSCCC1CCCCN1C 62a_100000210303_100000211948 [0,0,0,1,0,0|3,0,0]=4 10026 B13R1.555 CCCSCCC1CCCCN1C 62a_100000211948_100000210303 [0,0,0,1,0,0|3,0,0]=4 10027 B13R1.555 CCOCCNC1CCCCC1=O 34a_102516460346_100000754470 [0,0,0,1,0,0|2,0,0]=3 10028 B13R1.555 CCOCCNC1CCCNC1=O 2230a_100000747585_100011215890 [0,0,0,1,0,0|3,0,0]=4 10029 B13R1.555 CCOCCNC1CCCNC1=O 2230a_102516460346_100000687798 [0,0,0,1,0,0|3,0,0]=4 10030 B13R1.555 CCOCCNC1CCCNC1=O 34a_100000747585_100000210147 [0,0,0,1,0,0|3,0,0]=4 10031 B13R1.555 CCOCCNC1CCCNC1=O 34a_102516460346_100000687798 [0,0,0,1,0,0|3,0,0]=4 10032 B13R1.555 CCOCCNC1COCCC1=O 34a_102516460346_100012180262 [0,0,0,1,0,0|3,0,0]=4 10033 B13R1.555 CCOCCOC1CCCCC1=O 34a_100000210136_100000754470 [0,0,0,1,0,0|2,0,0]=3 10034 B13R1.555 CCOCCOC1CCCCC1=O 34a_100011214950_100000210147 [0,0,0,1,0,0|2,0,0]=3 10035 B13R1.555 CCOCCOC1CCCCC1=O 7a_100000210136_100000204591 [0,0,0,1,0,0|2,0,0]=3 10036 B13R1.555 CCOCCOC1CCCNC1=O 34a_100000073722_100000210147 [0,0,0,1,0,0|3,0,0]=4 10037 B13R1.555 CCOCCOC1CCCNC1=O 34a_100000210136_100000687798 [0,0,0,1,0,0|3,0,0]=4 10038 B13R1.555 CCOCCOC1CCCNC1=O 7a_100000210136_100000687798 [0,0,0,1,0,0|3,0,0]=4 10039 B13R1.555 CCOCCOC1COCCC1=O 34a_100000210136_100012180262 [0,0,0,1,0,0|3,0,0]=4 10040 B13R1.555 CCOCCOC1COCCC1=O 7a_100000210136_100012180262 [0,0,0,1,0,0|3,0,0]=4 10041 B13R1.555 CCOCCSC1CCCCC1=O 62a_100000204591_100011215890 [0,0,0,1,0,0|2,0,0]=3 10042 B13R1.555 CCOCCSC1CCCCC1=O 62a_100000210147_100000204591 [0,0,0,1,0,0|2,0,0]=3 10043 B13R1.555 CCOCCSC1CCCNC1=O 62a_100000210147_100000687798 [0,0,0,1,0,0|3,0,0]=4 10044 B13R1.555 CCOCCSC1CCCNC1=O 62a_100000687798_100011215890 [0,0,0,1,0,0|3,0,0]=4 10045 B13R1.555 CCOCCSC1COCCC1=O 62a_100000210147_100012180262 [0,0,0,1,0,0|3,0,0]=4 10046 B13R1.555 CCOCCSC1COCCC1=O 62a_100012180262_100011215890 [0,0,0,1,0,0|3,0,0]=4 10047 B13R1.555 CCSCCNC1CCCNC1=O 2230a_100000106463_100000687798 [0,0,0,1,0,0|3,0,0]=4 10048 B13R1.555 CCSCCNC1CCCNC1=O 2230a_100000747585_100000757381 [0,0,0,1,0,0|3,0,0]=4 10049 B13R1.555 CCSCCNC1CCCNC1=O 34a_100000747585_100000757381 [0,0,0,1,0,0|3,0,0]=4 10050 B13R1.555 CCSCCOC1CCCCC1=O 34a_100000212035_100000754470 [0,0,0,1,0,0|2,0,0]=3 10051 B13R1.555 CCSCCOC1CCCCC1=O 34a_100011214950_100000757381 [0,0,0,1,0,0|2,0,0]=3 10052 B13R1.555 CCSCCOC1CCCCC1=O 7a_100000212035_100000204591 [0,0,0,1,0,0|2,0,0]=3 10053 B13R1.555 CCSCCOC1CCCNC1=O 34a_100000073722_100000757381 [0,0,0,1,0,0|3,0,0]=4 10054 B13R1.555 CCSCCOC1CCCNC1=O 34a_100000212035_100000687798 [0,0,0,1,0,0|3,0,0]=4 10055 B13R1.555 CCSCCOC1CCCNC1=O 7a_100000212035_100000687798 [0,0,0,1,0,0|3,0,0]=4 10056 B13R1.555 CCSCCOC1COCCC1=O 34a_100000212035_100012180262 [0,0,0,1,0,0|3,0,0]=4 10057 B13R1.555 CCSCCOC1COCCC1=O 7a_100000212035_100012180262 [0,0,0,1,0,0|3,0,0]=4 10058 B13R1.555 CCSCCSC1CCCCC1=O 62a_100000204591_100000757381 [0,0,0,1,0,0|2,0,0]=3 10059 B13R1.555 CCSCCSC1CCCCC1=O 62a_100000757381_100000204591 [0,0,0,1,0,0|2,0,0]=3 10060 B13R1.555 CCSCCSC1CCCNC1=O 62a_100000687798_100000757381 [0,0,0,1,0,0|3,0,0]=4 10061 B13R1.555 CCSCCSC1CCCNC1=O 62a_100000757381_100000687798 [0,0,0,1,0,0|3,0,0]=4 10062 B13R1.555 CCSCCSC1COCCC1=O 62a_100000757381_100012180262 [0,0,0,1,0,0|3,0,0]=4 10063 B13R1.555 CCSCCSC1COCCC1=O 62a_100012180262_100000757381 [0,0,0,1,0,0|3,0,0]=4 10064 B13R1.555 CN1CCCCC1CCSCC=O 62a_100000211948_200015260668 [0,0,0,1,0,0|2,0,0]=3 10065 B13R1.555 CN1CCCCC1CCSCC=O 62a_200015260668_100000211948 [0,0,0,1,0,0|2,0,0]=3 10066 B13R1.555 CNCCCOC1CCCCC1=O 34a_100000213112_100000754470 [0,0,0,1,0,0|2,0,0]=3 10067 B13R1.555 CNCCCOC1CCCNC1=O 34a_100000213112_100000687798 [0,0,0,1,0,0|3,0,0]=4 10068 B13R1.555 CNCCCOC1COCCC1=O 34a_100000213112_100012180262 [0,0,0,1,0,0|3,0,0]=4 10069 B13R1.555 COCCCCN1CCCCC1C 2230a_100000211376_100000730899 [0,0,0,1,0,0|3,0,0]=4 10070 B13R1.555 COCCCCN1CCCCC1C 269982a_100000211376_100000730899 [0,0,0,1,0,0|3,0,0]=4 10071 B13R1.555 COCCCCN1CCCCC1C 34a_100000211376_100000755781 [0,0,0,1,0,0|3,0,0]=4 10072 B13R1.555 COCCCNC1CCCCC1=O 34a_100150723488_100000754470 [0,0,0,1,0,0|2,0,0]=3 10073 B13R1.555 COCCCNC1CCCCC1C 2230a_100000211402_100000740836 [0,0,0,1,0,0|3,0,0]=4 10074 B13R1.555 COCCCNC1CCCCC1C 269862a_100150723488_100000210921 [0,0,0,1,0,0|3,0,0]=4 10075 B13R1.555 COCCCNC1CCCCC1C 270004a_100150723488_100000210921 [0,0,0,1,0,0|3,0,0]=4 10076 B13R1.555 COCCCNC1CCCCC1C 34a_100000211402_100000740836 [0,0,0,1,0,0|3,0,0]=4 10077 B13R1.555 COCCCNC1CCCNC1=O 2230a_100000747585_100000740836 [0,0,0,1,0,0|3,0,0]=4 10078 B13R1.555 COCCCNC1CCCNC1=O 34a_100000747585_100000740836 [0,0,0,1,0,0|3,0,0]=4 10079 B13R1.555 COCCCNC1CCCNC1=O 34a_100150723488_100000687798 [0,0,0,1,0,0|3,0,0]=4 10080 B13R1.555 COCCCNC1COCCC1=O 34a_100150723488_100012180262 [0,0,0,1,0,0|3,0,0]=4 10081 B13R1.555 COCCCOC1CCCCC1=O 34a_100000740835_100000754470 [0,0,0,1,0,0|2,0,0]=3 10082 B13R1.555 COCCCOC1CCCCC1=O 34a_100011214950_100000740836 [0,0,0,1,0,0|2,0,0]=3 10083 B13R1.555 COCCCOC1CCCCC1C 34a_100000211207_100000740836 [0,0,0,1,0,0|3,0,0]=4 10084 B13R1.555 COCCCOC1CCCCC1C 7a_100000211207_100000740836 [0,0,0,1,0,0|3,0,0]=4 10085 B13R1.555 COCCCOC1CCCNC1=O 34a_100000073722_100000740836 [0,0,0,1,0,0|3,0,0]=4 10086 B13R1.555 COCCCOC1CCCNC1=O 34a_100000740835_100000687798 [0,0,0,1,0,0|3,0,0]=4 10087 B13R1.555 COCCCOC1COCCC1=O 34a_100000740835_100012180262 [0,0,0,1,0,0|3,0,0]=4 10088 B13R1.555 COCCCSC1CCCCC1=O 62a_100000204591_100000709357 [0,0,0,1,0,0|2,0,0]=3 10089 B13R1.555 COCCCSC1CCCCC1=O 62a_100000709357_100000204591 [0,0,0,1,0,0|2,0,0]=3 10090 B13R1.555 COCCCSC1CCCNC1=O 62a_100000687798_100000709357 [0,0,0,1,0,0|3,0,0]=4 10091 B13R1.555 COCCCSC1CCCNC1=O 62a_100000709357_100000687798 [0,0,0,1,0,0|3,0,0]=4 10092 B13R1.555 COCCCSC1COCCC1=O 62a_100000709357_100012180262 [0,0,0,1,0,0|3,0,0]=4 10093 B13R1.555 COCCCSC1COCCC1=O 62a_100012180262_100000709357 [0,0,0,1,0,0|3,0,0]=4 10094 B13R1.555 COCCOCC1CCCCC1=O 34a_100009861125_100011201679 [0,0,0,1,0,0|2,0,0]=3 10095 B13R1.555 COCCOCC1CCCCC1=O 7a_100009861125_100000233755 [0,0,0,1,0,0|2,0,0]=3 10096 B13R1.555 COCNCCN1CCCCC1=O 2230a_100160573077_100000766300 [0,0,0,1,0,0|3,0,0]=4 10097 B13R1.555 CSCCCNC1CCCCC1C 269862a_100000749238_100000210921 [0,0,0,1,0,0|3,0,0]=4 10098 B13R1.555 CSCCCNC1CCCCC1C 270004a_100000749238_100000210921 [0,0,0,1,0,0|3,0,0]=4 10099 B13R1.555 CSCCCNC1CCCNC1=O 2230a_100000749238_100000687798 [0,0,0,1,0,0|3,0,0]=4 10100 B13R1.555 CSCCCOC1CCCCC1=O 34a_100000690336_100000754470 [0,0,0,1,0,0|2,0,0]=3 10101 B13R1.555 CSCCCOC1CCCCC1=O 7a_100000690336_100000204591 [0,0,0,1,0,0|2,0,0]=3 10102 B13R1.555 CSCCCOC1CCCNC1=O 34a_100000690336_100000687798 [0,0,0,1,0,0|3,0,0]=4 10103 B13R1.555 CSCCCOC1CCCNC1=O 7a_100000690336_100000687798 [0,0,0,1,0,0|3,0,0]=4 10104 B13R1.555 CSCCCOC1COCCC1=O 34a_100000690336_100012180262 [0,0,0,1,0,0|3,0,0]=4 10105 B13R1.555 CSCCCOC1COCCC1=O 7a_100000690336_100012180262 [0,0,0,1,0,0|3,0,0]=4 10106 B13R1.555 CSCCOCC1CCCCC1=O 34a_100009861125_100000212216 [0,0,0,1,0,0|2,0,0]=3 10107 B13R1.555 CSCCOCC1CCCCC1=O 7a_100009861125_100000212216 [0,0,0,1,0,0|2,0,0]=3 10108 B13R1.555 CSCNCCN1CCCCC1=O 2230a_100160573077_100011218213 [0,0,0,1,0,0|3,0,0]=4 10109 B13R1.555 CSCNCCN1CCCCC1=O 34a_100160573077_100011218213 [0,0,0,1,0,0|3,0,0]=4 10110 B13R1.555 C[C@H]1COCCN1CCCCC=O 2230a_100009815349_100000139335 [0,0,0,1,0,0|2,0,0]=3 10111 B13R1.555 C[C@H]1COCCN1CCCCC=O 269982a_100009815349_100000139335 [0,0,0,1,0,0|2,0,0]=3 10112 B13R1.555 N#CCCCSC1CCCCC1=O 62a_100000204591_100000687738 [0,0,0,1,0,0|2,0,1]=4 10113 B13R1.555 N#CCCCSC1CCCCC1=O 62a_100000687738_100000204591 [0,0,0,1,0,0|2,0,1]=4 10114 B13R1.555 N#CCCOCC1CCCCC1=O 7a_100009861125_100000184422 [0,0,0,1,0,0|2,0,1]=4 10115 B13R1.555 NCCCCOC1CCCCC1=O 34a_100000750430_100000754470 [0,0,0,1,0,0|2,0,0]=3 10116 B13R1.555 NCCCCOC1CCCNC1=O 34a_100000750430_100000687798 [0,0,0,1,0,0|3,0,0]=4 10117 B13R1.555 NCCCCOC1COCCC1=O 34a_100000750430_100012180262 [0,0,0,1,0,0|3,0,0]=4 10118 B13R1.555 O=C1CCCCC1COCCCF 34a_100009861125_100011934791 [0,0,0,1,0,0|2,0,0]=3 10119 B13R1.555 O=C1CCCCC1COCCCF 7a_100009861125_100011934791 [0,0,0,1,0,0|2,0,0]=3 10120 B13R1.555 O=C1CCCCC1COCCCO 34a_100009861125_100000230001 [0,0,0,1,0,0|2,0,0]=3 10121 B13R1.555 O=C1CCCCC1COCCCO 7a_100009861125_100011215043 [0,0,0,1,0,0|2,0,0]=3 10122 B13R1.555 O=C1CCCCC1NCCCCO 34a_100000750430_100000754470 [0,0,0,1,0,0|2,0,0]=3 10123 B13R1.555 O=C1CCCCC1OCCCCBr 34a_100011216708_100000754470 [0,0,0,1,0,0|2,0,0]=3 10124 B13R1.555 O=C1CCCCC1OCCCCCl 34a_100000210776_100000754470 [0,0,0,1,0,0|2,0,0]=3 10125 B13R1.555 O=C1CCCCC1OCCCCCl 7a_100000210776_100000204591 [0,0,0,1,0,0|2,0,0]=3 10126 B13R1.555 O=C1CCCCC1OCCCCF 34a_100011214950_100000729493 [0,0,0,1,0,0|2,0,0]=3 10127 B13R1.555 O=C1CCCCC1OCCCCF 34a_100011995726_100000754470 [0,0,0,1,0,0|2,0,0]=3 10128 B13R1.555 O=C1CCCCC1OCCCCF 7a_100011995726_100000204591 [0,0,0,1,0,0|2,0,0]=3 10129 B13R1.555 O=C1CCCCC1OCCCCI 34a_200012148704_100000754470 [0,0,0,1,0,0|2,0,0]=3 10130 B13R1.555 O=C1CCCCC1OCCCCO 34a_100011214950_100011216708 [0,0,0,1,0,0|2,0,0]=3 10131 B13R1.555 O=C1CCCCC1SCCCCF 62a_100000204591_100000729493 [0,0,0,1,0,0|2,0,0]=3 10132 B13R1.555 O=C1CCCCC1SCCCCF 62a_100000729493_100000204591 [0,0,0,1,0,0|2,0,0]=3 10133 B13R1.555 O=C1CCCCC1SCCCCO 62a_100000204591_100000210776 [0,0,0,1,0,0|2,0,0]=3 10134 B13R1.555 O=C1CCCCC1SCCCCO 62a_100000210776_100000204591 [0,0,0,1,0,0|2,0,0]=3 10135 B13R1.555 O=C1CCCCN1CCNCCF 2230a_100160573077_100011217306 [0,0,0,1,0,0|3,0,0]=4 10136 B13R1.555 O=C1CCCCN1CCNCCF 34a_100160573077_100011217306 [0,0,0,1,0,0|3,0,0]=4 10137 B13R1.555 O=C1CCCCN1CCNCCO 2230a_100160573077_100000211926 [0,0,0,1,0,0|3,0,0]=4 10138 B13R1.555 O=C1CCCCN1CCNCCO 34a_100160573077_100000211926 [0,0,0,1,0,0|3,0,0]=4 10139 B13R1.555 O=C1CCOCC1NCCCCO 34a_100000750430_100012180262 [0,0,0,1,0,0|3,0,0]=4 10140 B13R1.555 O=C1CCOCC1OCCCCBr 34a_100011216708_100012180262 [0,0,0,1,0,0|3,0,0]=4 10141 B13R1.555 O=C1CCOCC1OCCCCCl 34a_100000210776_100012180262 [0,0,0,1,0,0|3,0,0]=4 10142 B13R1.555 O=C1CCOCC1OCCCCCl 7a_100000210776_100012180262 [0,0,0,1,0,0|3,0,0]=4 10143 B13R1.555 O=C1CCOCC1OCCCCF 34a_100011995726_100012180262 [0,0,0,1,0,0|3,0,0]=4 10144 B13R1.555 O=C1CCOCC1OCCCCF 7a_100011995726_100012180262 [0,0,0,1,0,0|3,0,0]=4 10145 B13R1.555 O=C1CCOCC1OCCCCI 34a_200012148704_100012180262 [0,0,0,1,0,0|3,0,0]=4 10146 B13R1.555 O=C1CCOCC1SCCCCF 62a_100000729493_100012180262 [0,0,0,1,0,0|3,0,0]=4 10147 B13R1.555 O=C1CCOCC1SCCCCF 62a_100012180262_100000729493 [0,0,0,1,0,0|3,0,0]=4 10148 B13R1.555 O=C1CCOCC1SCCCCO 62a_100000210776_100012180262 [0,0,0,1,0,0|3,0,0]=4 10149 B13R1.555 O=C1CCOCC1SCCCCO 62a_100012180262_100000210776 [0,0,0,1,0,0|3,0,0]=4 10150 B13R1.555 O=C1NCCCC1NCCCCF 2230a_100000747585_100000729493 [0,0,0,1,0,0|3,0,0]=4 10151 B13R1.555 O=C1NCCCC1NCCCCF 34a_100000747585_100000729493 [0,0,0,1,0,0|3,0,0]=4 10152 B13R1.555 O=C1NCCCC1NCCCCO 2230a_100000747585_100000210776 [0,0,0,1,0,0|3,0,0]=4 10153 B13R1.555 O=C1NCCCC1NCCCCO 2230a_100000750430_100000687798 [0,0,0,1,0,0|3,0,0]=4 10154 B13R1.555 O=C1NCCCC1NCCCCO 34a_100000747585_100011216708 [0,0,0,1,0,0|3,0,0]=4 10155 B13R1.555 O=C1NCCCC1NCCCCO 34a_100000750430_100000687798 [0,0,0,1,0,0|3,0,0]=4 10156 B13R1.555 O=C1NCCCC1OCCCCBr 34a_100011216708_100000687798 [0,0,0,1,0,0|3,0,0]=4 10157 B13R1.555 O=C1NCCCC1OCCCCCl 34a_100000210776_100000687798 [0,0,0,1,0,0|3,0,0]=4 10158 B13R1.555 O=C1NCCCC1OCCCCCl 7a_100000210776_100000687798 [0,0,0,1,0,0|3,0,0]=4 10159 B13R1.555 O=C1NCCCC1OCCCCF 34a_100000073722_100000729493 [0,0,0,1,0,0|3,0,0]=4 10160 B13R1.555 O=C1NCCCC1OCCCCF 34a_100011995726_100000687798 [0,0,0,1,0,0|3,0,0]=4 10161 B13R1.555 O=C1NCCCC1OCCCCF 7a_100011995726_100000687798 [0,0,0,1,0,0|3,0,0]=4 10162 B13R1.555 O=C1NCCCC1OCCCCI 34a_200012148704_100000687798 [0,0,0,1,0,0|3,0,0]=4 10163 B13R1.555 O=C1NCCCC1OCCCCO 34a_100000073722_100011216708 [0,0,0,1,0,0|3,0,0]=4 10164 B13R1.555 O=C1NCCCC1SCCCCF 62a_100000687798_100000729493 [0,0,0,1,0,0|3,0,0]=4 10165 B13R1.555 O=C1NCCCC1SCCCCF 62a_100000729493_100000687798 [0,0,0,1,0,0|3,0,0]=4 10166 B13R1.555 O=C1NCCCC1SCCCCO 62a_100000210776_100000687798 [0,0,0,1,0,0|3,0,0]=4 10167 B13R1.555 O=C1NCCCC1SCCCCO 62a_100000687798_100000210776 [0,0,0,1,0,0|3,0,0]=4 10168 B13R1.555 O=CCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200011292268 [0,0,0,1,0,0|2,0,0]=3 10169 B13R1.555 O=CCCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200011292268 [0,0,0,1,0,0|3,0,0]=4 10170 B13R1.555 O=CCCCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_200011292268 [0,0,0,1,0,0|3,0,0]=4 10171 B13R1.555 O=CCCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_200011292268 [0,0,0,1,0,0|3,0,0]=4 10172 B13R1.555 O=CCCCOC1CCCCC1Cl 7a_100000038908_200011292268 [0,0,0,1,0,0|2,0,0]=3 10173 B13R1.555 O=CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200011292268 [0,0,0,1,0,0|2,0,0]=3 10174 B13R1.555 O=CCCCSC1CCCCC1=O 62a_100000204591_200011292268 [0,0,0,1,0,0|2,0,1]=4 10175 B13R1.555 O=CCCCSC1CCCCC1=O 62a_200011292268_100000204591 [0,0,0,1,0,0|2,0,1]=4 10176 B13R1.555 O=CCCCSC1CCCCC1F 62a_100015423560_200011292268 [0,0,0,1,0,0|2,0,0]=3 10177 B13R1.555 O=CCCCSC1CCCCC1F 62a_200011292268_100015423560 [0,0,0,1,0,0|2,0,0]=3 10178 B13R1.555 O=CCCCSC1CCCCC1O 62a_100000038908_200011292268 [0,0,0,1,0,0|2,0,0]=3 10179 B13R1.555 O=CCCCSC1CCCCC1O 62a_200011292268_100000038908 [0,0,0,1,0,0|2,0,0]=3 10180 B13R1.559 C#CCCCCCOCC1CC1C 34a_100000744939_100012094781 [0,0,0,1,0,0|2,0,1]=4 10181 B13R1.559 C#CCCCCCOCC1CC1C 7a_100000744939_100012094781 [0,0,0,1,0,0|2,0,1]=4 10182 B13R1.559 C=CCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215473 [0,0,0,1,0,0|3,0,0]=4 10183 B13R1.559 C=CCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215473 [0,0,0,1,0,0|3,0,0]=4 10184 B13R1.559 C=CCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011215473 [0,0,0,1,0,0|3,0,0]=4 10185 B13R1.559 C=CCCCCCOCC1CC1C 34a_100000744939_100000700193 [0,0,0,1,0,0|2,0,0]=3 10186 B13R1.559 C=CCCCCCOCC1CC1C 7a_100000744939_100000700193 [0,0,0,1,0,0|2,0,0]=3 10187 B13R1.559 CC1CC1COCCCCCC#N 7a_100000744939_100009813376 [0,0,0,1,0,0|2,0,1]=4 10188 B13R1.559 CC1CC1COCCCCCC=O 7a_100000744939_100000139337 [0,0,0,1,0,0|1,0,0]=2 10189 B13R1.559 CC1CC1COCCCCCCF 34a_100000744939_100015922095 [0,0,0,1,0,0|2,0,1]=4 10190 B13R1.559 CC1CC1COCCCCCCF 7a_100000744939_100015922095 [0,0,0,1,0,0|2,0,1]=4 10191 B13R1.559 CC1CC1COCCCCCCO 34a_100000744939_100000766143 [0,0,0,1,0,0|1,0,2]=4 10192 B13R1.559 CC1CC1COCCCCCCO 7a_100000744939_100000766143 [0,0,0,1,0,0|1,0,2]=4 10193 B13R1.559 CCCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210759 [0,0,0,1,0,0|2,0,1]=4 10194 B13R1.559 CCCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210759 [0,0,0,1,0,0|2,0,1]=4 10195 B13R1.559 CCCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210759 [0,0,0,1,0,0|2,0,1]=4 10196 B13R1.559 CCCCCCCOCC1CC1C 34a_100000744939_100000210614 [0,0,0,1,0,0|2,0,1]=4 10197 B13R1.559 CCCCCCCOCC1CC1C 7a_100000744939_100000210614 [0,0,0,1,0,0|2,0,1]=4 10198 B13R1.560 BrCCCCCCCOC1CCC1 34a_100000760002_100000749161 [0,0,0,1,0,0|2,0,1]=4 10199 B13R1.560 BrCCCCCCOCC1CCC1 34a_100011215345_100000763275 [0,0,0,1,0,0|2,0,1]=4 10200 B13R1.560 BrCCCCCCOCC1CCC1 7a_100011215345_100000763275 [0,0,0,1,0,0|2,0,1]=4 10201 B13R1.560 C#CCCCCCCCN1CCC1 269982a_100000754969_100153394163 [0,0,0,1,0,0|2,0,1]=4 10202 B13R1.560 C#CCCCCCCNC1CCC1 2230a_100000749019_100012276617 [0,0,0,1,0,0|2,0,1]=4 10203 B13R1.560 C#CCCCCCCNC1CCC1 34a_100000749019_100012276617 [0,0,0,1,0,0|2,0,1]=4 10204 B13R1.560 C#CCCCCCCOC1CCC1 34a_100000748187_100012276617 [0,0,0,1,0,0|2,0,1]=4 10205 B13R1.560 C#CCCCCCCOC1CCC1 34a_100011217361_100000749161 [0,0,0,1,0,0|2,0,1]=4 10206 B13R1.560 C#CCCCCCCSC1CCC1 62a_100012276617_100000749161 [0,0,0,1,0,0|2,0,1]=4 10207 B13R1.560 C#CCCCCCNCC1CCC1 2230a_100000738700_100012094781 [0,0,0,1,0,0|2,0,1]=4 10208 B13R1.560 C#CCCCCCNCC1CCC1 34a_100000738700_100012094781 [0,0,0,1,0,0|2,0,1]=4 10209 B13R1.560 C#CCCCCCOCC1CCC1 34a_100000760304_100012094781 [0,0,0,1,0,0|2,0,1]=4 10210 B13R1.560 C#CCCCCCOCC1CCC1 34a_100000766912_100000763275 [0,0,0,1,0,0|2,0,1]=4 10211 B13R1.560 C#CCCCCCOCC1CCC1 7a_100000766912_100000763275 [0,0,0,1,0,0|2,0,1]=4 10212 B13R1.560 C#CCCCCCSCC1CCC1 62a_100000763275_100012094781 [0,0,0,1,0,0|2,0,1]=4 10213 B13R1.560 C#CCCCCCSCC1CCC1 62a_100012094781_100000763275 [0,0,0,1,0,0|2,0,1]=4 10214 B13R1.560 C=CCCCCCCCN1CCC1 269982a_100000754969_100012355270 [0,0,0,1,0,0|2,0,0]=3 10215 B13R1.560 C=CCCCCCCNC1CCC1 2230a_100000749019_100011215473 [0,0,0,1,0,0|2,0,0]=3 10216 B13R1.560 C=CCCCCCCNC1CCC1 34a_100000749019_100011215473 [0,0,0,1,0,0|2,0,0]=3 10217 B13R1.560 C=CCCCCCCNC1COC1 2230a_100016991112_100011215473 [0,0,0,1,0,0|3,0,0]=4 10218 B13R1.560 C=CCCCCCCOC1CCC1 34a_100000748187_100011215473 [0,0,0,1,0,0|2,0,0]=3 10219 B13R1.560 C=CCCCCCCOC1CCC1 34a_200011216477_100000749161 [0,0,0,1,0,0|2,0,0]=3 10220 B13R1.560 C=CCCCCCCOC1COC1 34a_200011216477_100009818527 [0,0,0,1,0,0|3,0,0]=4 10221 B13R1.560 C=CCCCCCCOC1COC1 7a_200011216477_100009818527 [0,0,0,1,0,0|3,0,0]=4 10222 B13R1.560 C=CCCCCCCOC1CSC1 7a_100000072292_100011215473 [0,0,0,1,0,0|3,0,0]=4 10223 B13R1.560 C=CCCCCCCSC1CCC1 62a_100011215473_100000749161 [0,0,0,1,0,0|2,0,0]=3 10224 B13R1.560 C=CCCCCCCSC1COC1 62a_100011215473_100009818527 [0,0,0,1,0,0|3,0,0]=4 10225 B13R1.560 C=CCCCCCNCC1CCC1 2230a_100000738700_100000700193 [0,0,0,1,0,0|2,0,0]=3 10226 B13R1.560 C=CCCCCCNCC1CCC1 34a_100000738700_100000700193 [0,0,0,1,0,0|2,0,0]=3 10227 B13R1.560 C=CCCCCCNCC1COC1 2230a_100015281925_100000700193 [0,0,0,1,0,0|3,0,0]=4 10228 B13R1.560 C=CCCCCCNCC1COC1 34a_100015281925_100000700193 [0,0,0,1,0,0|3,0,0]=4 10229 B13R1.560 C=CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000700193 [0,0,0,1,0,0|3,0,0]=4 10230 B13R1.560 C=CCCCCCNC[C@@H]1CCO1 34a_100020831831_100000700193 [0,0,0,1,0,0|3,0,0]=4 10231 B13R1.560 C=CCCCCCOCC1CCC1 34a_100000760304_100000700193 [0,0,0,1,0,0|2,0,0]=3 10232 B13R1.560 C=CCCCCCOCC1CCC1 34a_100011216702_100000763275 [0,0,0,1,0,0|2,0,0]=3 10233 B13R1.560 C=CCCCCCOCC1CCC1 7a_100011216702_100000763275 [0,0,0,1,0,0|2,0,0]=3 10234 B13R1.560 C=CCCCCCOCC1CCO1 34a_100000039022_100000700193 [0,0,0,1,0,0|3,0,0]=4 10235 B13R1.560 C=CCCCCCOCC1CCO1 34a_100011216702_100000103362 [0,0,0,1,0,0|3,0,0]=4 10236 B13R1.560 C=CCCCCCOCC1CCO1 7a_100011216702_100000103362 [0,0,0,1,0,0|3,0,0]=4 10237 B13R1.560 C=CCCCCCOCC1CNC1 34a_100016987283_100000700193 [0,0,0,1,0,0|3,0,0]=4 10238 B13R1.560 C=CCCCCCOCC1COC1 34a_100000060846_100000700193 [0,0,0,1,0,0|3,0,0]=4 10239 B13R1.560 C=CCCCCCOCC1COC1 34a_100011216702_100010264016 [0,0,0,1,0,0|3,0,0]=4 10240 B13R1.560 C=CCCCCCOCC1COC1 7a_100011216702_100010264016 [0,0,0,1,0,0|3,0,0]=4 10241 B13R1.560 C=CCCCCCSCC1CCC1 62a_100000700193_100000763275 [0,0,0,1,0,0|2,0,0]=3 10242 B13R1.560 C=CCCCCCSCC1CCC1 62a_100000763275_100000700193 [0,0,0,1,0,0|2,0,0]=3 10243 B13R1.560 C=CCCCCCSCC1CCO1 62a_100000103362_100000700193 [0,0,0,1,0,0|3,0,0]=4 10244 B13R1.560 C=CCCCCCSCC1CCO1 62a_100000700193_100000103362 [0,0,0,1,0,0|3,0,0]=4 10245 B13R1.560 C=CCCCCCSCC1COC1 62a_100000700193_100010264016 [0,0,0,1,0,0|3,0,0]=4 10246 B13R1.560 C=CCCCCCSCC1COC1 62a_100010264016_100000700193 [0,0,0,1,0,0|3,0,0]=4 10247 B13R1.560 C=CCCCCOCCC1COC1 34a_100009855314_100011215482 [0,0,0,1,0,0|3,0,0]=4 10248 B13R1.560 C=COCCCCOCC1CCC1 34a_100000031558_100000763275 [0,0,0,1,0,0|3,0,0]=4 10249 B13R1.560 C=COCCCCOCC1CCC1 7a_100000031558_100000763275 [0,0,0,1,0,0|3,0,0]=4 10250 B13R1.560 CCCCCCCCCN1CCC1 269982a_100000754969_100000210670 [0,0,0,1,0,0|2,0,1]=4 10251 B13R1.560 CCCCCCCCNC1CCC1 2230a_100000749019_100000210759 [0,0,0,1,0,0|2,0,1]=4 10252 B13R1.560 CCCCCCCCNC1CCC1 270004a_100000229939_100000241760 [0,0,0,1,0,0|2,0,1]=4 10253 B13R1.560 CCCCCCCCNC1CCC1 34a_100000229939_100000749161 [0,0,0,1,0,0|2,0,1]=4 10254 B13R1.560 CCCCCCCCNC1CCC1 34a_100000749019_100000210759 [0,0,0,1,0,0|2,0,1]=4 10255 B13R1.560 CCCCCCCCNC1COC1 2230a_100016991112_100000210759 [0,0,0,1,0,0|3,0,0]=4 10256 B13R1.560 CCCCCCCCNC1COC1 34a_100000229939_100009818527 [0,0,0,1,0,0|3,0,0]=4 10257 B13R1.560 CCCCCCCCOC1CCC1 34a_100000210232_100000749161 [0,0,0,1,0,0|2,0,1]=4 10258 B13R1.560 CCCCCCCCOC1CCC1 34a_100000748187_100000210759 [0,0,0,1,0,0|2,0,1]=4 10259 B13R1.560 CCCCCCCCOC1COC1 34a_100000210232_100009818527 [0,0,0,1,0,0|3,0,0]=4 10260 B13R1.560 CCCCCCCCOC1COC1 7a_100000210232_100009818527 [0,0,0,1,0,0|3,0,0]=4 10261 B13R1.560 CCCCCCCCOC1CSC1 7a_100000072292_100000210759 [0,0,0,1,0,0|3,0,0]=4 10262 B13R1.560 CCCCCCCCSC1CCC1 62a_100000210759_100000749161 [0,0,0,1,0,0|2,0,1]=4 10263 B13R1.560 CCCCCCCCSC1COC1 62a_100000210759_100009818527 [0,0,0,1,0,0|3,0,0]=4 10264 B13R1.560 CCCCCCCNCC1CCC1 2230a_100000229938_100000763275 [0,0,0,1,0,0|2,0,1]=4 10265 B13R1.560 CCCCCCCNCC1CCC1 2230a_100000738700_100000210681 [0,0,0,1,0,0|2,0,1]=4 10266 B13R1.560 CCCCCCCNCC1CCC1 269862a_100000229938_100000753134 [0,0,0,1,0,0|2,0,1]=4 10267 B13R1.560 CCCCCCCNCC1CCC1 34a_100000738700_100000210614 [0,0,0,1,0,0|2,0,1]=4 10268 B13R1.560 CCCCCCCNCC1CCO1 2230a_100000229938_100000103362 [0,0,0,1,0,0|1,0,2]=4 10269 B13R1.560 CCCCCCCNCC1COC1 2230a_100000229938_100010264016 [0,0,0,1,0,0|3,0,0]=4 10270 B13R1.560 CCCCCCCNCC1COC1 2230a_100015281925_100000210681 [0,0,0,1,0,0|3,0,0]=4 10271 B13R1.560 CCCCCCCNCC1COC1 34a_100015281925_100000210614 [0,0,0,1,0,0|3,0,0]=4 10272 B13R1.560 CCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210681 [0,0,0,1,0,0|1,0,2]=4 10273 B13R1.560 CCCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210614 [0,0,0,1,0,0|1,0,2]=4 10274 B13R1.560 CCCCCCCOCC1CCC1 34a_100000210272_100000763275 [0,0,0,1,0,0|2,0,1]=4 10275 B13R1.560 CCCCCCCOCC1CCC1 34a_100000760304_100000210614 [0,0,0,1,0,0|2,0,1]=4 10276 B13R1.560 CCCCCCCOCC1CCC1 7a_100000210272_100000763275 [0,0,0,1,0,0|2,0,1]=4 10277 B13R1.560 CCCCCCCOCC1CCO1 34a_100000039022_100000210614 [0,0,0,1,0,0|1,0,2]=4 10278 B13R1.560 CCCCCCCOCC1CCO1 34a_100000210272_100000103362 [0,0,0,1,0,0|1,0,2]=4 10279 B13R1.560 CCCCCCCOCC1CCO1 7a_100000210272_100000103362 [0,0,0,1,0,0|1,0,2]=4 10280 B13R1.560 CCCCCCCOCC1CNC1 34a_100016987283_100000210614 [0,0,0,1,0,0|3,0,0]=4 10281 B13R1.560 CCCCCCCOCC1COC1 34a_100000060846_100000210614 [0,0,0,1,0,0|3,0,0]=4 10282 B13R1.560 CCCCCCCOCC1COC1 34a_100000210272_100010264016 [0,0,0,1,0,0|3,0,0]=4 10283 B13R1.560 CCCCCCCOCC1COC1 7a_100000210272_100010264016 [0,0,0,1,0,0|3,0,0]=4 10284 B13R1.560 CCCCCCCSCC1CCC1 62a_100000210614_100000763275 [0,0,0,1,0,0|2,0,1]=4 10285 B13R1.560 CCCCCCCSCC1CCC1 62a_100000763275_100000210316 [0,0,0,1,0,0|2,0,1]=4 10286 B13R1.560 CCCCCCCSCC1CCO1 62a_100000103362_100000210316 [0,0,0,1,0,0|1,0,2]=4 10287 B13R1.560 CCCCCCCSCC1CCO1 62a_100000210614_100000103362 [0,0,0,1,0,0|1,0,2]=4 10288 B13R1.560 CCCCCCCSCC1COC1 62a_100000210614_100010264016 [0,0,0,1,0,0|3,0,0]=4 10289 B13R1.560 CCCCCCCSCC1COC1 62a_100010264016_100000210316 [0,0,0,1,0,0|3,0,0]=4 10290 B13R1.560 CCCCCCOCCC1COC1 34a_100009855314_100000210314 [0,0,0,1,0,0|3,0,0]=4 10291 B13R1.560 CNCCCCCOCC1CCC1 34a_100000722520_100000763275 [0,0,0,1,0,0|3,0,0]=4 10292 B13R1.560 COCCCCCCNC1CCC1 2230a_100000749019_100011998445 [0,0,0,1,0,0|3,0,0]=4 10293 B13R1.560 COCCCCCCNC1CCC1 34a_100000749019_100011998445 [0,0,0,1,0,0|3,0,0]=4 10294 B13R1.560 COCCCCCCOC1CCC1 34a_100000748187_100011998445 [0,0,0,1,0,0|3,0,0]=4 10295 B13R1.560 COCCCCCCOC1CCC1 34a_200012092642_100000749161 [0,0,0,1,0,0|3,0,0]=4 10296 B13R1.560 COCCCCCCSC1CCC1 62a_100011998445_100000749161 [0,0,0,1,0,0|3,0,0]=4 10297 B13R1.560 COCCCCCNCC1CCC1 2230a_100000747528_100000763275 [0,0,0,1,0,0|3,0,0]=4 10298 B13R1.560 COCCCCCNCC1CCC1 269862a_100000747528_100000753134 [0,0,0,1,0,0|3,0,0]=4 10299 B13R1.560 COCCCCCNCC1CCC1 34a_100000747528_100000763275 [0,0,0,1,0,0|3,0,0]=4 10300 B13R1.560 ClCCCCCCOCC1CCC1 34a_100000766143_100000763275 [0,0,0,1,0,0|2,0,1]=4 10301 B13R1.560 ClCCCCCCOCC1CCC1 7a_100000766143_100000763275 [0,0,0,1,0,0|2,0,1]=4 10302 B13R1.560 FCCCCCCNCC1CCC1 2230a_100000738700_100015922095 [0,0,0,1,0,0|2,0,1]=4 10303 B13R1.560 FCCCCCCNCC1CCC1 34a_100000738700_100015922095 [0,0,0,1,0,0|2,0,1]=4 10304 B13R1.560 FCCCCCCOCC1CCC1 34a_100000732779_100000763275 [0,0,0,1,0,0|2,0,1]=4 10305 B13R1.560 FCCCCCCOCC1CCC1 34a_100000760304_100015922095 [0,0,0,1,0,0|2,0,1]=4 10306 B13R1.560 FCCCCCCOCC1CCC1 7a_100000732779_100000763275 [0,0,0,1,0,0|2,0,1]=4 10307 B13R1.560 FCCCCCCSCC1CCC1 62a_100000763275_100015922095 [0,0,0,1,0,0|2,0,1]=4 10308 B13R1.560 FCCCCCCSCC1CCC1 62a_100015922095_100000763275 [0,0,0,1,0,0|2,0,1]=4 10309 B13R1.560 N#CCCCCCCNC1CCC1 2230a_100000749019_100009813337 [0,0,0,1,0,0|2,0,1]=4 10310 B13R1.560 N#CCCCCCCSC1CCC1 62a_100009813337_100000749161 [0,0,0,1,0,0|2,0,1]=4 10311 B13R1.560 N#CCCCCCNCC1CCC1 2230a_100000738700_100009813376 [0,0,0,1,0,0|2,0,1]=4 10312 B13R1.560 N#CCCCCCSCC1CCC1 62a_100000763275_100009813376 [0,0,0,1,0,0|2,0,1]=4 10313 B13R1.560 N#CCCCCCSCC1CCC1 62a_100009813376_100000763275 [0,0,0,1,0,0|2,0,1]=4 10314 B13R1.560 NCCCCCCCOC1CCC1 34a_100011996573_100000749161 [0,0,0,1,0,0|2,0,1]=4 10315 B13R1.560 NCCCCCCOCC1CCC1 34a_100000686447_100000763275 [0,0,0,1,0,0|2,0,1]=4 10316 B13R1.560 O=CCCCCCNCC1CCC1 2230a_100000738700_100000139337 [0,0,0,1,0,0|1,0,0]=2 10317 B13R1.560 O=CCCCCCNCC1COC1 2230a_100015281925_100000139337 [0,0,0,1,0,0|2,0,0]=3 10318 B13R1.560 O=CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000139337 [0,0,0,1,0,0|2,0,0]=3 10319 B13R1.560 O=CCCCCCSCC1CCC1 62a_100000139337_100000763275 [0,0,0,1,0,0|1,0,0]=2 10320 B13R1.560 O=CCCCCCSCC1CCC1 62a_100000763275_100000139337 [0,0,0,1,0,0|1,0,0]=2 10321 B13R1.560 O=CCCCCCSCC1CCO1 62a_100000103362_100000139337 [0,0,0,1,0,0|2,0,0]=3 10322 B13R1.560 O=CCCCCCSCC1CCO1 62a_100000139337_100000103362 [0,0,0,1,0,0|2,0,0]=3 10323 B13R1.560 O=CCCCCCSCC1COC1 62a_100000139337_100010264016 [0,0,0,1,0,0|2,0,0]=3 10324 B13R1.560 O=CCCCCCSCC1COC1 62a_100010264016_100000139337 [0,0,0,1,0,0|2,0,0]=3 10325 B13R1.560 OCCCCCCCCN1CCC1 269982a_100000754969_100000033203 [0,0,0,1,0,0|1,0,2]=4 10326 B13R1.560 OCCCCCCCNC1CCC1 2230a_100000749019_100000760002 [0,0,0,1,0,0|1,0,2]=4 10327 B13R1.560 OCCCCCCCNC1CCC1 270004a_100011996573_100000241760 [0,0,0,1,0,0|1,0,2]=4 10328 B13R1.560 OCCCCCCCNC1CCC1 34a_100000749019_100000760002 [0,0,0,1,0,0|1,0,2]=4 10329 B13R1.560 OCCCCCCCNC1CCC1 34a_100011996573_100000749161 [0,0,0,1,0,0|1,0,2]=4 10330 B13R1.560 OCCCCCCCOC1CCC1 34a_100000748187_100000760002 [0,0,0,1,0,0|1,0,2]=4 10331 B13R1.560 OCCCCCCCSC1CCC1 62a_100000760002_100000749161 [0,0,0,1,0,0|1,0,2]=4 10332 B13R1.560 OCCCCCCNCC1CCC1 2230a_100000686447_100000763275 [0,0,0,1,0,0|1,0,2]=4 10333 B13R1.560 OCCCCCCNCC1CCC1 2230a_100000738700_100000766143 [0,0,0,1,0,0|1,0,2]=4 10334 B13R1.560 OCCCCCCNCC1CCC1 269862a_100000686447_100000753134 [0,0,0,1,0,0|1,0,2]=4 10335 B13R1.560 OCCCCCCNCC1CCC1 34a_100000686447_100000763275 [0,0,0,1,0,0|1,0,2]=4 10336 B13R1.560 OCCCCCCNCC1CCC1 34a_100000738700_100000766143 [0,0,0,1,0,0|1,0,2]=4 10337 B13R1.560 OCCCCCCOCC1CCC1 34a_100000760304_100000766143 [0,0,0,1,0,0|1,0,2]=4 10338 B13R1.560 OCCCCCCSCC1CCC1 62a_100000763275_100000766143 [0,0,0,1,0,0|1,0,2]=4 10339 B13R1.560 OCCCCCCSCC1CCC1 62a_100000766143_100000763275 [0,0,0,1,0,0|1,0,2]=4 10340 B13R1.579 C=CCNC1CCCC1CCCC 270004a_100020586998_100000750825 [0,0,0,1,0,0|2,0,0]=3 10341 B13R1.579 CCCCC1CCCC1NCCC 269862a_100020643023_100000750825 [0,0,0,1,0,0|2,0,1]=4 10342 B13R1.579 CCCCC1CCCC1NCCC 270004a_100020643023_100000750825 [0,0,0,1,0,0|2,0,1]=4 10343 B13R1.579 CCCCC1CCCC1NCCF 269862a_100000724931_100000750825 [0,0,0,1,0,0|2,0,1]=4 10344 B13R1.579 CCCCC1CCCC1NCCO 269862a_100000210304_100000750825 [0,0,0,1,0,0|1,0,2]=4 10345 B13R1.579 CCCCC1CCCC1NCCO 270004a_100000210304_100000750825 [0,0,0,1,0,0|1,0,2]=4 10346 B13R1.579 CCCNC1CCCC1CCC#N 270004a_100020643023_100000073560 [0,0,0,1,0,0|2,0,1]=4 10347 B13R1.654 C#CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100012094781 [0,0,0,1,0,0|2,0,1]=4 10348 B13R1.654 C#CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100012094781 [0,0,0,1,0,0|2,0,1]=4 10349 B13R1.654 C#CCCCCCN1CCC[C@H]1C 2230a_100015189458_100012094781 [0,0,0,1,0,0|2,0,1]=4 10350 B13R1.654 C#CCCCCCN1CCC[C@H]1C 269982a_100015189458_100012094781 [0,0,0,1,0,0|2,0,1]=4 10351 B13R1.654 C#CCCCCCN1CCC[C@H]1C 34a_100015189458_100012094781 [0,0,0,1,0,0|2,0,1]=4 10352 B13R1.654 C#CCCCCNC1CCCC1=O 2230a_100000706060_100000211823 [0,0,0,1,0,0|1,0,2]=4 10353 B13R1.654 C#CCCCCNC1CCCC1=O 34a_100000706060_100000709159 [0,0,0,1,0,0|1,0,2]=4 10354 B13R1.654 C#CCCCCOC1CCCC1=O 34a_100000766709_100000709159 [0,0,0,1,0,0|1,0,2]=4 10355 B13R1.654 C#CCCCCOC1CCCC1=O 34a_200000719330_100010269958 [0,0,0,1,0,0|1,0,2]=4 10356 B13R1.654 C#CCCCCOC1CCCC1=O 7a_100000766709_100000211823 [0,0,0,1,0,0|1,0,2]=4 10357 B13R1.654 C#CCCCCOC1CCCC1C 34a_100011216460_100010269958 [0,0,0,1,0,0|2,0,1]=4 10358 B13R1.654 C#CCCCCOC1CCCC1C 7a_100011216460_100010269958 [0,0,0,1,0,0|2,0,1]=4 10359 B13R1.654 C#CCCCCSC1CCCC1=O 62a_100000211823_100010269958 [0,0,0,1,0,0|1,0,2]=4 10360 B13R1.654 C#CCCCCSC1CCCC1=O 62a_100010269958_100000211823 [0,0,0,1,0,0|1,0,2]=4 10361 B13R1.654 C=CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000700193 [0,0,0,1,0,0|2,0,0]=3 10362 B13R1.654 C=CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000700193 [0,0,0,1,0,0|2,0,0]=3 10363 B13R1.654 C=CCCCCCN1CCC[C@H]1C 2230a_100015189458_100000700193 [0,0,0,1,0,0|2,0,0]=3 10364 B13R1.654 C=CCCCCCN1CCC[C@H]1C 269982a_100015189458_100000700193 [0,0,0,1,0,0|2,0,0]=3 10365 B13R1.654 C=CCCCCCN1CCC[C@H]1C 34a_100015189458_100000700193 [0,0,0,1,0,0|2,0,0]=3 10366 B13R1.654 C=CCCCCCN1CCSC1C 2230a_200011216479_100000700193 [0,0,0,1,0,0|3,0,0]=4 10367 B13R1.654 C=CCCCCCN1CCSC1C 269982a_200011216479_100000700193 [0,0,0,1,0,0|3,0,0]=4 10368 B13R1.654 C=CCCCCCN1CCSC1C 34a_200011216479_100000700193 [0,0,0,1,0,0|3,0,0]=4 10369 B13R1.654 C=CCCCCNC1CCCC1=O 2230a_100000703577_100000211823 [0,0,0,1,0,0|1,0,2]=4 10370 B13R1.654 C=CCCCCNC1CCCC1=O 34a_100000703577_100000709159 [0,0,0,1,0,0|1,0,2]=4 10371 B13R1.654 C=CCCCCNC1CCCC1C 269862a_100000703577_100000752053 [0,0,0,1,0,0|2,0,0]=3 10372 B13R1.654 C=CCCCCNC1CCOC1C 270004a_100000703577_100000691750 [0,0,0,1,0,0|3,0,0]=4 10373 B13R1.654 C=CCCCCOC1CCCC1=O 34a_100000766645_100000709159 [0,0,0,1,0,0|1,0,2]=4 10374 B13R1.654 C=CCCCCOC1CCCC1=O 34a_200000719330_100011215482 [0,0,0,1,0,0|1,0,2]=4 10375 B13R1.654 C=CCCCCOC1CCCC1=O 7a_100000766645_100000211823 [0,0,0,1,0,0|1,0,2]=4 10376 B13R1.654 C=CCCCCOC1CCCC1C 34a_100011216460_100011215482 [0,0,0,1,0,0|2,0,0]=3 10377 B13R1.654 C=CCCCCOC1CCCC1C 7a_100011216460_100011215482 [0,0,0,1,0,0|2,0,0]=3 10378 B13R1.654 C=CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011215482 [0,0,0,1,0,0|3,0,0]=4 10379 B13R1.654 C=CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100011215482 [0,0,0,1,0,0|3,0,0]=4 10380 B13R1.654 C=CCCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100011215482 [0,0,0,1,0,0|3,0,0]=4 10381 B13R1.654 C=CCCCCSC1CCCC1=O 62a_100000211823_100011215482 [0,0,0,1,0,0|1,0,2]=4 10382 B13R1.654 C=CCCCCSC1CCCC1=O 62a_100011215482_100000211823 [0,0,0,1,0,0|1,0,2]=4 10383 B13R1.654 C=CCCCCS[C@@H]1CCC[C@H]1O 62a_100011215482_200016002552 [0,0,0,1,0,0|3,0,0]=4 10384 B13R1.654 C=CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215482 [0,0,0,1,0,0|3,0,0]=4 10385 B13R1.654 C=CCCCOCC1CCCN1C 34a_100000743107_100000757094 [0,0,0,1,0,0|3,0,0]=4 10386 B13R1.654 C=CCCNCCC1CCCN1C 2230a_100015191253_100000005710 [0,0,0,1,0,0|3,0,0]=4 10387 B13R1.654 C=CCCOCCC1CCCN1C 34a_100011205117_100000005710 [0,0,0,1,0,0|3,0,0]=4 10388 B13R1.654 C=CCCOCCC1CCCN1C 34a_100011215177_100000754431 [0,0,0,1,0,0|3,0,0]=4 10389 B13R1.654 C=CCCOCCC1CCCN1C 7a_100011215177_100000754431 [0,0,0,1,0,0|3,0,0]=4 10390 B13R1.654 C=CCCSCCC1CCCN1C 62a_100000005710_100000754431 [0,0,0,1,0,0|3,0,0]=4 10391 B13R1.654 C=CCCSCCC1CCCN1C 62a_100000754431_100000005710 [0,0,0,1,0,0|3,0,0]=4 10392 B13R1.654 C=COCCCNC1CCCC1C 269862a_100000210767_100000752053 [0,0,0,1,0,0|3,0,0]=4 10393 B13R1.654 CC/C=C\CCOC1CCCC1=O 34a_100016288707_100000709159 [0,0,0,1,0,0|1,0,2]=4 10394 B13R1.654 CC/C=C\CCOC1CCCC1=O 34a_200000719330_100015370543 [0,0,0,1,0,0|1,0,2]=4 10395 B13R1.654 CC/C=C\CCOC1CCCC1=O 7a_100016288707_100000211823 [0,0,0,1,0,0|1,0,2]=4 10396 B13R1.654 CC/C=C\CCSC1CCCC1=O 62a_100000211823_100015370543 [0,0,0,1,0,0|1,0,2]=4 10397 B13R1.654 CC/C=C\CCSC1CCCC1=O 62a_100015370543_100000211823 [0,0,0,1,0,0|1,0,2]=4 10398 B13R1.654 CC1CCCC1NCCCCCO 269862a_100000762737_100000752053 [0,0,0,1,0,0|1,0,2]=4 10399 B13R1.654 CC1CCCC1OCCCCC#N 7a_100011216460_100000211819 [0,0,0,1,0,0|2,0,1]=4 10400 B13R1.654 CC1CCCC1OCCCCC=O 7a_100011216460_100000139335 [0,0,0,1,0,0|1,0,0]=2 10401 B13R1.654 CC1CCCC1OCCCCCF 34a_100011216460_100000729378 [0,0,0,1,0,0|2,0,1]=4 10402 B13R1.654 CC1CCCC1OCCCCCF 7a_100011216460_100000729378 [0,0,0,1,0,0|2,0,1]=4 10403 B13R1.654 CC1CCCC1OCCCCCO 34a_100011216460_100000746330 [0,0,0,1,0,0|1,0,2]=4 10404 B13R1.654 CC1CCCC1OCCCCCO 7a_100011216460_100000746330 [0,0,0,1,0,0|1,0,2]=4 10405 B13R1.654 CC1SCCN1CCCCCC=O 2230a_200011216479_100000139337 [0,0,0,1,0,0|2,0,0]=3 10406 B13R1.654 CC1SCCN1CCCCCC=O 269982a_200011216479_100000139337 [0,0,0,1,0,0|2,0,0]=3 10407 B13R1.654 CC=CCCCOC1CCCC1=O 34a_100020645299_100000709159 [0,0,0,1,0,0|1,0,2]=4 10408 B13R1.654 CCC#CCCOC1CCCC1=O 34a_100000036655_100000709159 [0,0,0,1,0,0|1,0,2]=4 10409 B13R1.654 CCC#CCCOC1CCCC1=O 7a_100000036655_100000211823 [0,0,0,1,0,0|1,0,2]=4 10410 B13R1.654 CCC/C=C/COC1CCCC1=O 34a_100016278788_100000709159 [0,0,0,1,0,0|1,0,2]=4 10411 B13R1.654 CCC/C=C/COC1CCCC1=O 7a_100016278788_100000211823 [0,0,0,1,0,0|1,0,2]=4 10412 B13R1.654 CCCC#CCOC1CCCC1=O 34a_100000034806_100000709159 [0,0,0,1,0,0|1,0,2]=4 10413 B13R1.654 CCCC#CCOC1CCCC1=O 7a_100000034806_100000211823 [0,0,0,1,0,0|1,0,2]=4 10414 B13R1.654 CCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210681 [0,0,0,1,0,0|2,0,1]=4 10415 B13R1.654 CCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210681 [0,0,0,1,0,0|2,0,1]=4 10416 B13R1.654 CCCCCCCN1CCC[C@H]1C 2230a_100015189458_100000210681 [0,0,0,1,0,0|2,0,1]=4 10417 B13R1.654 CCCCCCCN1CCC[C@H]1C 269982a_100015189458_100000210681 [0,0,0,1,0,0|2,0,1]=4 10418 B13R1.654 CCCCCCCN1CCC[C@H]1C 34a_100015189458_100000210614 [0,0,0,1,0,0|2,0,1]=4 10419 B13R1.654 CCCCCCNC1CCCC1=O 2230a_100000210581_100000211823 [0,0,0,1,0,0|1,0,0]=2 10420 B13R1.654 CCCCCCNC1CCCC1C 269862a_100000210581_100000752053 [0,0,0,1,0,0|2,0,1]=4 10421 B13R1.654 CCCCCCNC1CCNC1=O 2230a_100016995588_100000210314 [0,0,0,1,0,0|2,0,0]=3 10422 B13R1.654 CCCCCCNC1CCNC1=O 34a_100016995588_100000210314 [0,0,0,1,0,0|2,0,0]=3 10423 B13R1.654 CCCCCCNC1CCOC1=O 2230a_100000210581_100000211211 [0,0,0,1,0,0|2,0,0]=3 10424 B13R1.654 CCCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210314 [0,0,0,1,0,0|3,0,0]=4 10425 B13R1.654 CCCCCCN[C@@H]1CONC1=O 34a_100000765999_100000210314 [0,0,0,1,0,0|3,0,0]=4 10426 B13R1.654 CCCCCCOC1CCCC1=O 34a_100000210259_100000709159 [0,0,0,1,0,0|1,0,0]=2 10427 B13R1.654 CCCCCCOC1CCCC1=O 34a_200000719330_100000210314 [0,0,0,1,0,0|1,0,0]=2 10428 B13R1.654 CCCCCCOC1CCCC1=O 7a_100000210259_100000211823 [0,0,0,1,0,0|1,0,0]=2 10429 B13R1.654 CCCCCCOC1CCCC1C 34a_100011216460_100000210314 [0,0,0,1,0,0|2,0,1]=4 10430 B13R1.654 CCCCCCOC1CCCC1C 7a_100011216460_100000210314 [0,0,0,1,0,0|2,0,1]=4 10431 B13R1.654 CCCCCCOC1CCOC1=O 34a_100000210259_100000211211 [0,0,0,1,0,0|2,0,0]=3 10432 B13R1.654 CCCCCCOC1CCOC1=O 7a_100000210259_100000211211 [0,0,0,1,0,0|2,0,0]=3 10433 B13R1.654 CCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210314 [0,0,0,1,0,0|2,0,1]=4 10434 B13R1.654 CCCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210314 [0,0,0,1,0,0|2,0,1]=4 10435 B13R1.654 CCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210314 [0,0,0,1,0,0|2,0,0]=3 10436 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000210314_100000211823 [0,0,0,1,0,0|1,0,0]=2 10437 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000211823_100000210757 [0,0,0,1,0,0|1,0,0]=2 10438 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000210314_100000211211 [0,0,0,1,0,0|2,0,0]=3 10439 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000211211_100000210757 [0,0,0,1,0,0|2,0,0]=3 10440 B13R1.654 CCCCCCS[C@@H]1CCC[C@H]1O 62a_100000210314_200016002552 [0,0,0,1,0,0|1,0,2]=4 10441 B13R1.654 CCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210757 [0,0,0,1,0,0|1,0,2]=4 10442 B13R1.654 CCCCCOCC1=CCCC1=O 34a_100000087531_100000718602 [0,0,0,1,0,0|1,0,2]=4 10443 B13R1.654 CCCCCOCC1CCCN1C 34a_100000743107_100000718602 [0,0,0,1,0,0|3,0,0]=4 10444 B13R1.654 CCCCCOCC1CCNC1=O 34a_100000133458_100000718602 [0,0,0,1,0,0|2,0,0]=3 10445 B13R1.654 CCCCCSCN1CCCC1=O 62a_100000026320_100000210326 [0,0,0,1,0,0|2,0,0]=3 10446 B13R1.654 CCCCCSCN1CCCC1=O 62a_100000210326_100000026320 [0,0,0,1,0,0|2,0,0]=3 10447 B13R1.654 CCCCNCCC1CCCN1C 2230a_100000102301_100000005710 [0,0,0,1,0,0|3,0,0]=4 10448 B13R1.654 CCCCNCCC1CCCN1C 7a_106832991798_100000005710 [0,0,0,1,0,0|3,0,0]=4 10449 B13R1.654 CCCCNCCN1CCCC1=O 2230a_100000102301_100000739059 [0,0,0,1,0,0|2,0,0]=3 10450 B13R1.654 CCCCNCCN1CCCC1=O 2230a_100011200922_100000210211 [0,0,0,1,0,0|2,0,0]=3 10451 B13R1.654 CCCCNCCN1CCCC1=O 7a_106832991798_100000739059 [0,0,0,1,0,0|2,0,0]=3 10452 B13R1.654 CCCCNCCN1CCNC1=O 2230a_100000102301_100000090651 [0,0,0,1,0,0|3,0,0]=4 10453 B13R1.654 CCCCNCCN1CCNC1=O 2230a_100011207550_100000210211 [0,0,0,1,0,0|3,0,0]=4 10454 B13R1.654 CCCCNCCN1CCNC1=O 7a_106832991798_100000090651 [0,0,0,1,0,0|3,0,0]=4 10455 B13R1.654 CCCCOCCC1CCCN1C 34a_100000210227_100000005710 [0,0,0,1,0,0|3,0,0]=4 10456 B13R1.654 CCCCOCCC1CCCN1C 34a_100011215177_100000210210 [0,0,0,1,0,0|3,0,0]=4 10457 B13R1.654 CCCCOCCC1CCCN1C 7a_100000210227_100000005710 [0,0,0,1,0,0|3,0,0]=4 10458 B13R1.654 CCCCOCCC1CCCN1C 7a_100011215177_100000210211 [0,0,0,1,0,0|3,0,0]=4 10459 B13R1.654 CCCCOCCN1CCCC1=O 34a_100000210227_100000739059 [0,0,0,1,0,0|2,0,0]=3 10460 B13R1.654 CCCCOCCN1CCCC1=O 34a_100000211209_100000210210 [0,0,0,1,0,0|2,0,0]=3 10461 B13R1.654 CCCCOCCN1CCCC1=O 7a_100000210227_100000739059 [0,0,0,1,0,0|2,0,0]=3 10462 B13R1.654 CCCCOCCN1CCCC1=O 7a_100000211209_100000210211 [0,0,0,1,0,0|2,0,0]=3 10463 B13R1.654 CCCCOCCN1CCNC1=O 34a_100000216532_100000210210 [0,0,0,1,0,0|3,0,0]=4 10464 B13R1.654 CCCCOCCN1CCNC1=O 7a_100000210227_100000090651 [0,0,0,1,0,0|3,0,0]=4 10465 B13R1.654 CCCCOCNC1CCNC1=O 2230a_100016995588_100011995733 [0,0,0,1,0,0|3,0,0]=4 10466 B13R1.654 CCCCOCNC1CCNC1=O 34a_100016995588_100011995733 [0,0,0,1,0,0|3,0,0]=4 10467 B13R1.654 CCCCOCOC1CCCC1=O 34a_200000719330_100011995733 [0,0,0,1,0,0|2,0,0]=3 10468 B13R1.654 CCCCOCO[C@H]1CCNC1=O 34a_100000688343_100011995733 [0,0,0,1,0,0|3,0,0]=4 10469 B13R1.654 CCCCOCSC1CCCC1=O 62a_100000211823_100011995733 [0,0,0,1,0,0|2,0,0]=3 10470 B13R1.654 CCCCOCSC1CCCC1=O 62a_100011995733_100000211823 [0,0,0,1,0,0|2,0,0]=3 10471 B13R1.654 CCCCOCSC1CCOC1=O 62a_100000211211_100011995733 [0,0,0,1,0,0|3,0,0]=4 10472 B13R1.654 CCCCOCSC1CCOC1=O 62a_100011995733_100000211211 [0,0,0,1,0,0|3,0,0]=4 10473 B13R1.654 CCCCSCCC1CCCN1C 62a_100000005710_100000210210 [0,0,0,1,0,0|3,0,0]=4 10474 B13R1.654 CCCCSCCC1CCCN1C 62a_100000210211_100000005710 [0,0,0,1,0,0|3,0,0]=4 10475 B13R1.654 CCCCSCCN1CCCC1=O 62a_100000210211_100000739059 [0,0,0,1,0,0|2,0,0]=3 10476 B13R1.654 CCCCSCCN1CCCC1=O 62a_100000739059_100000210210 [0,0,0,1,0,0|2,0,0]=3 10477 B13R1.654 CCCCSCCN1CCNC1=O 62a_100000090651_100000210210 [0,0,0,1,0,0|3,0,0]=4 10478 B13R1.654 CCCCSCCN1CCNC1=O 62a_100000210211_100000090651 [0,0,0,1,0,0|3,0,0]=4 10479 B13R1.654 CCCNCCCN1CCCC1=O 2230a_100000210347_100000210303 [0,0,0,1,0,0|2,0,0]=3 10480 B13R1.654 CCCNCCCN1CCCC1=O 34a_100000210347_100000210303 [0,0,0,1,0,0|2,0,0]=3 10481 B13R1.654 CCCOCCCN1CCCC1=O 34a_100011216539_100000210303 [0,0,0,1,0,0|2,0,0]=3 10482 B13R1.654 CCCOCCCN1CCCC1=O 7a_100011216539_100000210303 [0,0,0,1,0,0|2,0,0]=3 10483 B13R1.654 CCCOCCNC1CCCC1=O 2230a_100161115042_100000211823 [0,0,0,1,0,0|2,0,0]=3 10484 B13R1.654 CCCOCCNC1CCCC1=O 34a_100161115042_100000709159 [0,0,0,1,0,0|2,0,0]=3 10485 B13R1.654 CCCOCCNC1CCNC1=O 2230a_100016995588_100011215938 [0,0,0,1,0,0|3,0,0]=4 10486 B13R1.654 CCCOCCNC1CCNC1=O 34a_100016995588_100011215938 [0,0,0,1,0,0|3,0,0]=4 10487 B13R1.654 CCCOCCNC1CCOC1=O 2230a_100161115042_100000211211 [0,0,0,1,0,0|3,0,0]=4 10488 B13R1.654 CCCOCCNC1CCOC1=O 34a_100161115042_100000211211 [0,0,0,1,0,0|3,0,0]=4 10489 B13R1.654 CCCOCCOC1CCCC1=O 34a_100000752267_100000709159 [0,0,0,1,0,0|2,0,0]=3 10490 B13R1.654 CCCOCCOC1CCCC1=O 34a_200000719330_100011215938 [0,0,0,1,0,0|2,0,0]=3 10491 B13R1.654 CCCOCCOC1CCCC1=O 7a_100000752267_100000211823 [0,0,0,1,0,0|2,0,0]=3 10492 B13R1.654 CCCOCCOC1CCOC1=O 34a_100000752267_100000211211 [0,0,0,1,0,0|3,0,0]=4 10493 B13R1.654 CCCOCCOC1CCOC1=O 7a_100000752267_100000211211 [0,0,0,1,0,0|3,0,0]=4 10494 B13R1.654 CCCOCCO[C@H]1CCNC1=O 34a_100000688343_100011215938 [0,0,0,1,0,0|3,0,0]=4 10495 B13R1.654 CCCOCCSC1CCCC1=O 62a_100000211823_100011215938 [0,0,0,1,0,0|2,0,0]=3 10496 B13R1.654 CCCOCCSC1CCCC1=O 62a_100011215938_100000211823 [0,0,0,1,0,0|2,0,0]=3 10497 B13R1.654 CCCOCCSC1CCOC1=O 62a_100000211211_100011215938 [0,0,0,1,0,0|3,0,0]=4 10498 B13R1.654 CCCOCCSC1CCOC1=O 62a_100011215938_100000211211 [0,0,0,1,0,0|3,0,0]=4 10499 B13R1.654 CCCSCCNC1CCCC1=O 2230a_100020603323_100000211823 [0,0,0,1,0,0|2,0,0]=3 10500 B13R1.654 CCCSCCNC1CCOC1=O 2230a_100020603323_100000211211 [0,0,0,1,0,0|3,0,0]=4 10501 B13R1.654 CCCSCCOC1CCCC1=O 34a_200000230433_100000709159 [0,0,0,1,0,0|2,0,0]=3 10502 B13R1.654 CCCSCCOC1CCCC1=O 7a_200000230433_100000211823 [0,0,0,1,0,0|2,0,0]=3 10503 B13R1.654 CCCSCCOC1CCOC1=O 34a_200000230433_100000211211 [0,0,0,1,0,0|3,0,0]=4 10504 B13R1.654 CCCSCCOC1CCOC1=O 7a_200000230433_100000211211 [0,0,0,1,0,0|3,0,0]=4 10505 B13R1.654 CCOCCCNC1CCCC1=O 2230a_100000210961_100000211823 [0,0,0,1,0,0|2,0,0]=3 10506 B13R1.654 CCOCCCNC1CCCC1=O 34a_100000210961_100000709159 [0,0,0,1,0,0|2,0,0]=3 10507 B13R1.654 CCOCCCNC1CCNC1=O 2230a_100016995588_100012232248 [0,0,0,1,0,0|3,0,0]=4 10508 B13R1.654 CCOCCCNC1CCNC1=O 34a_100016995588_100012232248 [0,0,0,1,0,0|3,0,0]=4 10509 B13R1.654 CCOCCCNC1CCOC1=O 2230a_100000210961_100000211211 [0,0,0,1,0,0|3,0,0]=4 10510 B13R1.654 CCOCCCNC1CCOC1=O 34a_100000210961_100000211211 [0,0,0,1,0,0|3,0,0]=4 10511 B13R1.654 CCOCCCOC1CCCC1=O 34a_100000757476_100000709159 [0,0,0,1,0,0|2,0,0]=3 10512 B13R1.654 CCOCCCOC1CCCC1=O 34a_200000719330_100012232248 [0,0,0,1,0,0|2,0,0]=3 10513 B13R1.654 CCOCCCOC1CCCC1=O 7a_100000757476_100000211823 [0,0,0,1,0,0|2,0,0]=3 10514 B13R1.654 CCOCCCOC1CCOC1=O 34a_100000757476_100000211211 [0,0,0,1,0,0|3,0,0]=4 10515 B13R1.654 CCOCCCOC1CCOC1=O 7a_100000757476_100000211211 [0,0,0,1,0,0|3,0,0]=4 10516 B13R1.654 CCOCCCO[C@H]1CCNC1=O 34a_100000688343_100012232248 [0,0,0,1,0,0|3,0,0]=4 10517 B13R1.654 CCOCCCSC1CCCC1=O 62a_100000211823_100012232248 [0,0,0,1,0,0|2,0,0]=3 10518 B13R1.654 CCOCCCSC1CCCC1=O 62a_100012232248_100000211823 [0,0,0,1,0,0|2,0,0]=3 10519 B13R1.654 CCOCCCSC1CCOC1=O 62a_100000211211_100012232248 [0,0,0,1,0,0|3,0,0]=4 10520 B13R1.654 CCOCCCSC1CCOC1=O 62a_100012232248_100000211211 [0,0,0,1,0,0|3,0,0]=4 10521 B13R1.654 CCOCCOCC1CCNC1=O 34a_100000133458_100000210147 [0,0,0,1,0,0|3,0,0]=4 10522 B13R1.654 CCOCCSCN1CCCC1=O 62a_100000026320_100011215890 [0,0,0,1,0,0|3,0,0]=4 10523 B13R1.654 CCOCCSCN1CCCC1=O 62a_100000210147_100000026320 [0,0,0,1,0,0|3,0,0]=4 10524 B13R1.654 CCOCSCCN1CCCC1=O 62a_100000739059_100000739092 [0,0,0,1,0,0|3,0,0]=4 10525 B13R1.654 CCOCSCCN1CCCC1=O 62a_100000739092_100000739059 [0,0,0,1,0,0|3,0,0]=4 10526 B13R1.654 CCSCCCOC1CCCC1=O 34a_100011216438_100000709159 [0,0,0,1,0,0|2,0,0]=3 10527 B13R1.654 CCSCCCOC1CCCC1=O 7a_100011216438_100000211823 [0,0,0,1,0,0|2,0,0]=3 10528 B13R1.654 CCSCCCOC1CCOC1=O 34a_100011216438_100000211211 [0,0,0,1,0,0|3,0,0]=4 10529 B13R1.654 CCSCCCOC1CCOC1=O 7a_100011216438_100000211211 [0,0,0,1,0,0|3,0,0]=4 10530 B13R1.654 CCSCCOCC1CCNC1=O 34a_100000133458_100000757381 [0,0,0,1,0,0|3,0,0]=4 10531 B13R1.654 CCSCCSCN1CCCC1=O 62a_100000026320_100000757381 [0,0,0,1,0,0|3,0,0]=4 10532 B13R1.654 CCSCCSCN1CCCC1=O 62a_100000757381_100000026320 [0,0,0,1,0,0|3,0,0]=4 10533 B13R1.654 COCCCCNC1CCNC1=O 2230a_100016995588_100000730899 [0,0,0,1,0,0|3,0,0]=4 10534 B13R1.654 COCCCCNC1CCNC1=O 34a_100016995588_100000755781 [0,0,0,1,0,0|3,0,0]=4 10535 B13R1.654 COCCCCOC1CCCC1=O 34a_100000740925_100000709159 [0,0,0,1,0,0|2,0,0]=3 10536 B13R1.654 COCCCCOC1CCCC1=O 34a_200000719330_100000755781 [0,0,0,1,0,0|2,0,0]=3 10537 B13R1.654 COCCCCOC1CCCC1C 34a_100011216460_100000755781 [0,0,0,1,0,0|3,0,0]=4 10538 B13R1.654 COCCCCOC1CCCC1C 7a_100011216460_100000730899 [0,0,0,1,0,0|3,0,0]=4 10539 B13R1.654 COCCCCOC1CCOC1=O 34a_100000740925_100000211211 [0,0,0,1,0,0|3,0,0]=4 10540 B13R1.654 COCCCCO[C@H]1CCNC1=O 34a_100000688343_100000755781 [0,0,0,1,0,0|3,0,0]=4 10541 B13R1.654 COCCCCSC1CCCC1=O 62a_100000211823_100000730899 [0,0,0,1,0,0|2,0,0]=3 10542 B13R1.654 COCCCCSC1CCCC1=O 62a_100000730899_100000211823 [0,0,0,1,0,0|2,0,0]=3 10543 B13R1.654 COCCCCSC1CCOC1=O 62a_100000211211_100000730899 [0,0,0,1,0,0|3,0,0]=4 10544 B13R1.654 COCCCCSC1CCOC1=O 62a_100000730899_100000211211 [0,0,0,1,0,0|3,0,0]=4 10545 B13R1.654 COCCCOCC1CCNC1=O 34a_100000133458_100000740836 [0,0,0,1,0,0|3,0,0]=4 10546 B13R1.654 COCCCSCN1CCCC1=O 62a_100000026320_100000709357 [0,0,0,1,0,0|3,0,0]=4 10547 B13R1.654 COCCCSCN1CCCC1=O 62a_100000709357_100000026320 [0,0,0,1,0,0|3,0,0]=4 10548 B13R1.654 COCCNCCN1CCCC1=O 2230a_100000209980_100000739059 [0,0,0,1,0,0|3,0,0]=4 10549 B13R1.654 COCCNCCN1CCCC1=O 2230a_100011200922_100011201679 [0,0,0,1,0,0|3,0,0]=4 10550 B13R1.654 COCCOCCN1CCCC1=O 34a_100000210237_100000739059 [0,0,0,1,0,0|3,0,0]=4 10551 B13R1.654 COCCOCCN1CCCC1=O 34a_100000211209_100011201679 [0,0,0,1,0,0|3,0,0]=4 10552 B13R1.654 COCCOCCN1CCCC1=O 7a_100000211209_100000233755 [0,0,0,1,0,0|3,0,0]=4 10553 B13R1.654 COCCOCSC1CCCC1=O 62a_100000211823_100000231047 [0,0,0,1,0,0|3,0,0]=4 10554 B13R1.654 COCCOCSC1CCCC1=O 62a_100000231047_100000211823 [0,0,0,1,0,0|3,0,0]=4 10555 B13R1.654 COCCSCCN1CCCC1=O 62a_100000233755_100000739059 [0,0,0,1,0,0|3,0,0]=4 10556 B13R1.654 COCCSCCN1CCCC1=O 62a_100000739059_100000233755 [0,0,0,1,0,0|3,0,0]=4 10557 B13R1.654 COCNCCCN1CCCC1=O 2230a_100000210347_100000766300 [0,0,0,1,0,0|3,0,0]=4 10558 B13R1.654 CSCCCCOC1CCCC1=O 34a_100011217163_100000709159 [0,0,0,1,0,0|2,0,0]=3 10559 B13R1.654 CSCCCCOC1CCCC1=O 7a_100011217163_100000211823 [0,0,0,1,0,0|2,0,0]=3 10560 B13R1.654 CSCCCCOC1CCOC1=O 34a_100011217163_100000211211 [0,0,0,1,0,0|3,0,0]=4 10561 B13R1.654 CSCCCCOC1CCOC1=O 7a_100011217163_100000211211 [0,0,0,1,0,0|3,0,0]=4 10562 B13R1.654 CSCCNCCN1CCCC1=O 2230a_100011200922_100000751147 [0,0,0,1,0,0|3,0,0]=4 10563 B13R1.654 CSCCNCCN1CCCC1=O 2230a_100020590264_100000739059 [0,0,0,1,0,0|3,0,0]=4 10564 B13R1.654 CSCCOCCN1CCCC1=O 34a_100000211209_100000212216 [0,0,0,1,0,0|3,0,0]=4 10565 B13R1.654 CSCCOCCN1CCCC1=O 34a_100000230434_100000739059 [0,0,0,1,0,0|3,0,0]=4 10566 B13R1.654 CSCCOCCN1CCCC1=O 7a_100000211209_100000212216 [0,0,0,1,0,0|3,0,0]=4 10567 B13R1.654 CSCCOCCN1CCCC1=O 7a_100000230434_100000739059 [0,0,0,1,0,0|3,0,0]=4 10568 B13R1.654 CSCCSCCN1CCCC1=O 62a_100000212216_100000739059 [0,0,0,1,0,0|3,0,0]=4 10569 B13R1.654 CSCCSCCN1CCCC1=O 62a_100000739059_100000751147 [0,0,0,1,0,0|3,0,0]=4 10570 B13R1.654 CSCNCCCN1CCCC1=O 2230a_100000210347_100011218213 [0,0,0,1,0,0|3,0,0]=4 10571 B13R1.654 CSCNCCCN1CCCC1=O 34a_100000210347_100011218213 [0,0,0,1,0,0|3,0,0]=4 10572 B13R1.654 CSCOCCCN1CCCC1=O 34a_100011216539_100011218213 [0,0,0,1,0,0|3,0,0]=4 10573 B13R1.654 C[C@@H]1CCCN1CCCCCC#N 2230a_100015189458_100009813376 [0,0,0,1,0,0|2,0,1]=4 10574 B13R1.654 C[C@@H]1CCCN1CCCCCC#N 269982a_100015189458_100009813376 [0,0,0,1,0,0|2,0,1]=4 10575 B13R1.654 C[C@@H]1CCCN1CCCCCC=O 2230a_100015189458_100000139337 [0,0,0,1,0,0|1,0,0]=2 10576 B13R1.654 C[C@@H]1CCCN1CCCCCC=O 269982a_100015189458_100000139337 [0,0,0,1,0,0|1,0,0]=2 10577 B13R1.654 C[C@@H]1CCCN1CCCCCCF 2230a_100015189458_100015922095 [0,0,0,1,0,0|2,0,1]=4 10578 B13R1.654 C[C@@H]1CCCN1CCCCCCF 269982a_100015189458_100015922095 [0,0,0,1,0,0|2,0,1]=4 10579 B13R1.654 C[C@@H]1CCCN1CCCCCCF 34a_100015189458_100015922095 [0,0,0,1,0,0|2,0,1]=4 10580 B13R1.654 C[C@@H]1CCCN1CCCCCCO 2230a_100015189458_100000766143 [0,0,0,1,0,0|1,0,2]=4 10581 B13R1.654 C[C@@H]1CCCN1CCCCCCO 269982a_100015189458_100000766143 [0,0,0,1,0,0|1,0,2]=4 10582 B13R1.654 C[C@@H]1CCCN1CCCCCCO 34a_100015189458_100000766143 [0,0,0,1,0,0|1,0,2]=4 10583 B13R1.654 C[C@H]1CCCN1CCCCCC#N 2230a_100020605311_100009813376 [0,0,0,1,0,0|2,0,1]=4 10584 B13R1.654 C[C@H]1CCCN1CCCCCC#N 269982a_100020605311_100009813376 [0,0,0,1,0,0|2,0,1]=4 10585 B13R1.654 C[C@H]1CCCN1CCCCCC=O 2230a_100020605311_100000139337 [0,0,0,1,0,0|1,0,0]=2 10586 B13R1.654 C[C@H]1CCCN1CCCCCC=O 269982a_100020605311_100000139337 [0,0,0,1,0,0|1,0,0]=2 10587 B13R1.654 C[C@H]1CCCN1CCCCCCF 2230a_100020605311_100015922095 [0,0,0,1,0,0|2,0,1]=4 10588 B13R1.654 C[C@H]1CCCN1CCCCCCF 269982a_100020605311_100015922095 [0,0,0,1,0,0|2,0,1]=4 10589 B13R1.654 C[C@H]1CCCN1CCCCCCO 2230a_100020605311_100000766143 [0,0,0,1,0,0|1,0,2]=4 10590 B13R1.654 C[C@H]1CCCN1CCCCCCO 269982a_100020605311_100000766143 [0,0,0,1,0,0|1,0,2]=4 10591 B13R1.654 N#CCCCCSC1CCCC1=O 62a_100000211823_100000211819 [0,0,0,1,0,0|2,0,1]=4 10592 B13R1.654 N#CCCCCSC1CCCC1=O 62a_100011219923_100000211823 [0,0,0,1,0,0|2,0,1]=4 10593 B13R1.654 NCCCCCOC1CCCC1=O 34a_100000762737_100000709159 [0,0,0,1,0,0|2,0,0]=3 10594 B13R1.654 NCCCCCOC1CCOC1=O 34a_100000762737_100000211211 [0,0,0,1,0,0|3,0,0]=4 10595 B13R1.654 NCCCOCCN1CCCC1=O 34a_100000182051_100000739059 [0,0,0,1,0,0|3,0,0]=4 10596 B13R1.654 NCCOCCOC1CCCC1=O 34a_100000211614_100000709159 [0,0,0,1,0,0|3,0,0]=4 10597 B13R1.654 O=C1CCCC1NCCCCCO 2230a_100000762737_100000211823 [0,0,0,1,0,0|2,0,0]=3 10598 B13R1.654 O=C1CCCC1NCCCCCO 34a_100000762737_100000709159 [0,0,0,1,0,0|2,0,0]=3 10599 B13R1.654 O=C1CCCC1NCCOCCO 2230a_100000211614_100000211823 [0,0,0,1,0,0|3,0,0]=4 10600 B13R1.654 O=C1CCCC1NCCOCCO 34a_100000211614_100000709159 [0,0,0,1,0,0|3,0,0]=4 10601 B13R1.654 O=C1CCCC1NCCSCCO 2230a_100011219999_100000211823 [0,0,0,1,0,0|3,0,0]=4 10602 B13R1.654 O=C1CCCC1OCCCCCBr 34a_100000746331_100000709159 [0,0,0,1,0,0|2,0,0]=3 10603 B13R1.654 O=C1CCCC1OCCCCCBr 7a_100000746331_100000211823 [0,0,0,1,0,0|2,0,0]=3 10604 B13R1.654 O=C1CCCC1OCCCCCCl 34a_100000746330_100000709159 [0,0,0,1,0,0|2,0,0]=3 10605 B13R1.654 O=C1CCCC1OCCCCCCl 7a_100000746330_100000211823 [0,0,0,1,0,0|2,0,0]=3 10606 B13R1.654 O=C1CCCC1OCCCCCF 34a_200000719330_100000729378 [0,0,0,1,0,0|2,0,0]=3 10607 B13R1.654 O=C1CCCC1OCCCCCI 34a_200012148887_100000709159 [0,0,0,1,0,0|2,0,0]=3 10608 B13R1.654 O=C1CCCC1OCCCCCI 7a_200012148887_100000211823 [0,0,0,1,0,0|2,0,0]=3 10609 B13R1.654 O=C1CCCC1OCCCCCO 34a_200000719330_100000746330 [0,0,0,1,0,0|2,0,0]=3 10610 B13R1.654 O=C1CCCC1OCCOCCBr 34a_100000692535_100000709159 [0,0,0,1,0,0|3,0,0]=4 10611 B13R1.654 O=C1CCCC1OCCOCCBr 7a_100000692535_100000211823 [0,0,0,1,0,0|3,0,0]=4 10612 B13R1.654 O=C1CCCC1OCCOCCCl 34a_100011215305_100000709159 [0,0,0,1,0,0|3,0,0]=4 10613 B13R1.654 O=C1CCCC1OCCOCCCl 7a_100011215305_100000211823 [0,0,0,1,0,0|3,0,0]=4 10614 B13R1.654 O=C1CCCC1OCCOCCF 34a_200015357709_100000709159 [0,0,0,1,0,0|3,0,0]=4 10615 B13R1.654 O=C1CCCC1OCCOCCF 7a_200015357709_100000211823 [0,0,0,1,0,0|3,0,0]=4 10616 B13R1.654 O=C1CCCC1OCCOCCI 34a_100012149058_100000709159 [0,0,0,1,0,0|3,0,0]=4 10617 B13R1.654 O=C1CCCC1OCCOCCI 7a_100012149058_100000211823 [0,0,0,1,0,0|3,0,0]=4 10618 B13R1.654 O=C1CCCC1OCCOCCO 34a_200000719330_100000692535 [0,0,0,1,0,0|3,0,0]=4 10619 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000211823_100000729378 [0,0,0,1,0,0|2,0,0]=3 10620 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000729378_100000211823 [0,0,0,1,0,0|2,0,0]=3 10621 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000211823_100000746330 [0,0,0,1,0,0|2,0,0]=3 10622 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000746330_100000211823 [0,0,0,1,0,0|2,0,0]=3 10623 B13R1.654 O=C1CCCC1SCCOCCO 62a_100000211823_100011215305 [0,0,0,1,0,0|3,0,0]=4 10624 B13R1.654 O=C1CCCC1SCCOCCO 62a_100011215305_100000211823 [0,0,0,1,0,0|3,0,0]=4 10625 B13R1.654 O=C1CCCN1CCCNCCF 2230a_100000210347_100011217306 [0,0,0,1,0,0|3,0,0]=4 10626 B13R1.654 O=C1CCCN1CCCNCCF 34a_100000210347_100011217306 [0,0,0,1,0,0|3,0,0]=4 10627 B13R1.654 O=C1CCCN1CCCNCCO 2230a_100000210347_100000211926 [0,0,0,1,0,0|3,0,0]=4 10628 B13R1.654 O=C1CCCN1CCCNCCO 34a_100000210347_100000211926 [0,0,0,1,0,0|3,0,0]=4 10629 B13R1.654 O=C1CCCN1CCCOCCF 34a_100011216539_100011217306 [0,0,0,1,0,0|3,0,0]=4 10630 B13R1.654 O=C1CCCN1CCCOCCF 7a_100011216539_100011217306 [0,0,0,1,0,0|3,0,0]=4 10631 B13R1.654 O=C1CCCN1CCCOCCO 34a_100011216539_100000211926 [0,0,0,1,0,0|3,0,0]=4 10632 B13R1.654 O=C1CCCN1CCCOCCO 7a_100011216539_100000211926 [0,0,0,1,0,0|3,0,0]=4 10633 B13R1.654 O=C1CCCN1CCNCCCF 2230a_100011200922_100011934791 [0,0,0,1,0,0|3,0,0]=4 10634 B13R1.654 O=C1CCCN1CCNCCCF 2230a_100015189416_100000739059 [0,0,0,1,0,0|3,0,0]=4 10635 B13R1.654 O=C1CCCN1CCNCCCF 34a_100015189416_100000739059 [0,0,0,1,0,0|3,0,0]=4 10636 B13R1.654 O=C1CCCN1CCNCCCO 2230a_100011200922_100000230001 [0,0,0,1,0,0|3,0,0]=4 10637 B13R1.654 O=C1CCCN1CCOCCCBr 34a_100011217188_100000739059 [0,0,0,1,0,0|3,0,0]=4 10638 B13R1.654 O=C1CCCN1CCOCCCCl 34a_100000230001_100000739059 [0,0,0,1,0,0|3,0,0]=4 10639 B13R1.654 O=C1CCCN1CCOCCCF 34a_100000211209_100011934791 [0,0,0,1,0,0|3,0,0]=4 10640 B13R1.654 O=C1CCCN1CCOCCCF 34a_100000759539_100000739059 [0,0,0,1,0,0|3,0,0]=4 10641 B13R1.654 O=C1CCCN1CCOCCCF 7a_100000211209_100011934791 [0,0,0,1,0,0|3,0,0]=4 10642 B13R1.654 O=C1CCCN1CCOCCCO 34a_100000211209_100000230001 [0,0,0,1,0,0|3,0,0]=4 10643 B13R1.654 O=C1CCCN1CCOCCCO 7a_100000211209_100011215043 [0,0,0,1,0,0|3,0,0]=4 10644 B13R1.654 O=C1CCCN1CCSCCCF 62a_100000739059_100011934791 [0,0,0,1,0,0|3,0,0]=4 10645 B13R1.654 O=C1CCCN1CCSCCCF 62a_100011934791_100000739059 [0,0,0,1,0,0|3,0,0]=4 10646 B13R1.654 O=C1CCCN1CCSCCCO 62a_100000739059_100011215043 [0,0,0,1,0,0|3,0,0]=4 10647 B13R1.654 O=C1CCCN1CCSCCCO 62a_100011215043_100000739059 [0,0,0,1,0,0|3,0,0]=4 10648 B13R1.654 O=C1CCCN1CSCCCCF 62a_100000026320_100000729493 [0,0,0,1,0,0|3,0,0]=4 10649 B13R1.654 O=C1CCCN1CSCCCCF 62a_100000729493_100000026320 [0,0,0,1,0,0|3,0,0]=4 10650 B13R1.654 O=C1CCCN1CSCCCCO 62a_100000026320_100000210776 [0,0,0,1,0,0|3,0,0]=4 10651 B13R1.654 O=C1CCCN1CSCCCCO 62a_100000210776_100000026320 [0,0,0,1,0,0|3,0,0]=4 10652 B13R1.654 O=C1NCCC1COCCCCF 34a_100000133458_100000729493 [0,0,0,1,0,0|3,0,0]=4 10653 B13R1.654 O=C1NCCC1COCCCCO 34a_100000133458_100011216708 [0,0,0,1,0,0|3,0,0]=4 10654 B13R1.654 O=C1NCCC1NCCCCCF 2230a_100016995588_100000729378 [0,0,0,1,0,0|3,0,0]=4 10655 B13R1.654 O=C1NCCC1NCCCCCF 34a_100016995588_100000729378 [0,0,0,1,0,0|3,0,0]=4 10656 B13R1.654 O=C1NCCC1NCCCCCO 2230a_100016995588_100000746330 [0,0,0,1,0,0|3,0,0]=4 10657 B13R1.654 O=C1NCCC1NCCCCCO 34a_100016995588_100000746330 [0,0,0,1,0,0|3,0,0]=4 10658 B13R1.654 O=C1NCC[C@@H]1OCCCCCF 34a_100000688343_100000729378 [0,0,0,1,0,0|3,0,0]=4 10659 B13R1.654 O=C1NCC[C@@H]1OCCCCCO 34a_100000688343_100000746330 [0,0,0,1,0,0|3,0,0]=4 10660 B13R1.654 O=C1OCCC1NCCCCCO 2230a_100000762737_100000211211 [0,0,0,1,0,0|3,0,0]=4 10661 B13R1.654 O=C1OCCC1NCCCCCO 34a_100000762737_100000211211 [0,0,0,1,0,0|3,0,0]=4 10662 B13R1.654 O=C1OCCC1OCCCCCBr 34a_100000746331_100000211211 [0,0,0,1,0,0|3,0,0]=4 10663 B13R1.654 O=C1OCCC1OCCCCCBr 7a_100000746331_100000211211 [0,0,0,1,0,0|3,0,0]=4 10664 B13R1.654 O=C1OCCC1OCCCCCCl 34a_100000746330_100000211211 [0,0,0,1,0,0|3,0,0]=4 10665 B13R1.654 O=C1OCCC1OCCCCCCl 7a_100000746330_100000211211 [0,0,0,1,0,0|3,0,0]=4 10666 B13R1.654 O=C1OCCC1OCCCCCI 34a_200012148887_100000211211 [0,0,0,1,0,0|3,0,0]=4 10667 B13R1.654 O=C1OCCC1OCCCCCI 7a_200012148887_100000211211 [0,0,0,1,0,0|3,0,0]=4 10668 B13R1.654 O=C1OCCC1SCCCCCF 62a_100000211211_100000729378 [0,0,0,1,0,0|3,0,0]=4 10669 B13R1.654 O=C1OCCC1SCCCCCF 62a_100000729378_100000211211 [0,0,0,1,0,0|3,0,0]=4 10670 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000211211_100000746330 [0,0,0,1,0,0|3,0,0]=4 10671 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000746330_100000211211 [0,0,0,1,0,0|3,0,0]=4 10672 B13R1.654 O=CCCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000139335 [0,0,0,1,0,0|3,0,0]=4 10673 B13R1.654 O=CCCCCSC1CCCC1=O 62a_100000139335_100000211823 [0,0,0,1,0,0|2,0,1]=4 10674 B13R1.654 O=CCCCCSC1CCCC1=O 62a_100000211823_100000139335 [0,0,0,1,0,0|2,0,1]=4 10675 B13R1.654 O=CCCCCSC1COCC1O 62a_100000139335_200000725654 [0,0,0,1,0,0|3,0,0]=4 10676 B13R1.654 O=CCCCCSC1COCC1O 62a_200000725654_100000139335 [0,0,0,1,0,0|3,0,0]=4 10677 B13R1.654 O=CCCCCS[C@@H]1CCC[C@H]1O 62a_100000139335_200016002552 [0,0,0,1,0,0|2,0,0]=3 10678 B13R1.654 O=CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000139335 [0,0,0,1,0,0|2,0,0]=3 10679 B13R1.659 BrCCCCCCCCOC1CC1 34a_100009813846_100000211595 [0,0,0,1,0,0|2,0,1]=4 10680 B13R1.659 BrCCCCCCCOCC1CC1 34a_100000760002_100000742324 [0,0,0,1,0,0|2,0,1]=4 10681 B13R1.659 BrCCCCCCCOCC1CC1 7a_100000760002_100000742324 [0,0,0,1,0,0|2,0,1]=4 10682 B13R1.659 BrCCCCCCOCCC1CC1 34a_100011215345_100000694398 [0,0,0,1,0,0|2,0,1]=4 10683 B13R1.659 BrCCCCCCOCCC1CC1 7a_100011215345_100000764125 [0,0,0,1,0,0|2,0,1]=4 10684 B13R1.659 C#CCCCCCCCNC1CC1 34a_100000212008_100153394163 [0,0,0,1,0,0|2,0,1]=4 10685 B13R1.659 C#CCCCCCCCOC1CC1 34a_100000054614_100000211595 [0,0,0,1,0,0|2,0,1]=4 10686 B13R1.659 C#CCCCCCCCSC1CC1 62a_100153394163_100000211595 [0,0,0,1,0,0|2,0,1]=4 10687 B13R1.659 C#CCCCCCCNCC1CC1 2230a_100000735609_100012276617 [0,0,0,1,0,0|2,0,1]=4 10688 B13R1.659 C#CCCCCCCNCC1CC1 34a_100000735609_100012276617 [0,0,0,1,0,0|2,0,1]=4 10689 B13R1.659 C#CCCCCCCOCC1CC1 34a_100000211283_100012276617 [0,0,0,1,0,0|2,0,1]=4 10690 B13R1.659 C#CCCCCCCOCC1CC1 34a_100011217361_100000742324 [0,0,0,1,0,0|2,0,1]=4 10691 B13R1.659 C#CCCCCCCOCC1CC1 7a_100011217361_100000742324 [0,0,0,1,0,0|2,0,1]=4 10692 B13R1.659 C#CCCCCCCSCC1CC1 62a_100000756562_100012276617 [0,0,0,1,0,0|2,0,1]=4 10693 B13R1.659 C#CCCCCCCSCC1CC1 62a_100012276617_100000742324 [0,0,0,1,0,0|2,0,1]=4 10694 B13R1.659 C#CCCCCCNCCC1CC1 34a_100000764129_100012094781 [0,0,0,1,0,0|2,0,1]=4 10695 B13R1.659 C#CCCCCCOCCC1CC1 34a_100000754188_100012094781 [0,0,0,1,0,0|2,0,1]=4 10696 B13R1.659 C#CCCCCCOCCC1CC1 34a_100000766912_100000694398 [0,0,0,1,0,0|2,0,1]=4 10697 B13R1.659 C#CCCCCCOCCC1CC1 7a_100000754188_100012094781 [0,0,0,1,0,0|2,0,1]=4 10698 B13R1.659 C#CCCCCCOCCC1CC1 7a_100000766912_100000764125 [0,0,0,1,0,0|2,0,1]=4 10699 B13R1.659 C#CCCCCCSCCC1CC1 62a_100000764125_100012094781 [0,0,0,1,0,0|2,0,1]=4 10700 B13R1.659 C#CCCCCCSCCC1CC1 62a_100012094781_100000764125 [0,0,0,1,0,0|2,0,1]=4 10701 B13R1.659 C=CCCCCCCCNC1CC1 34a_100000212008_100012355270 [0,0,0,1,0,0|2,0,0]=3 10702 B13R1.659 C=CCCCCCCCOC1CC1 34a_100000730831_100000211595 [0,0,0,1,0,0|2,0,0]=3 10703 B13R1.659 C=CCCCCCCCSC1CC1 62a_100012355270_100000211595 [0,0,0,1,0,0|2,0,0]=3 10704 B13R1.659 C=CCCCCCCNCC1CC1 2230a_100000735609_100011215473 [0,0,0,1,0,0|2,0,0]=3 10705 B13R1.659 C=CCCCCCCNCC1CC1 34a_100000735609_100011215473 [0,0,0,1,0,0|2,0,0]=3 10706 B13R1.659 C=CCCCCCCOCC1CC1 34a_100000211283_100011215473 [0,0,0,1,0,0|2,0,0]=3 10707 B13R1.659 C=CCCCCCCOCC1CC1 34a_200011216477_100000742324 [0,0,0,1,0,0|2,0,0]=3 10708 B13R1.659 C=CCCCCCCOCC1CC1 7a_200011216477_100000742324 [0,0,0,1,0,0|2,0,0]=3 10709 B13R1.659 C=CCCCCCCOCC1CO1 34a_200011216477_102125554688 [0,0,0,1,0,0|3,0,0]=4 10710 B13R1.659 C=CCCCCCCOCC1CO1 7a_200011216477_102125554688 [0,0,0,1,0,0|3,0,0]=4 10711 B13R1.659 C=CCCCCCCOCC1CS1 7a_200011216477_100000031435 [0,0,0,1,0,0|3,0,0]=4 10712 B13R1.659 C=CCCCCCCOC[C@@H]1CO1 34a_100000757423_100011215473 [0,0,0,1,0,0|3,0,0]=4 10713 B13R1.659 C=CCCCCCCOC[C@@H]1CO1 7a_200011216477_100000745022 [0,0,0,1,0,0|3,0,0]=4 10714 B13R1.659 C=CCCCCCCSCC1CC1 62a_100000756562_100011215473 [0,0,0,1,0,0|2,0,0]=3 10715 B13R1.659 C=CCCCCCCSCC1CC1 62a_100011215473_100000742324 [0,0,0,1,0,0|2,0,0]=3 10716 B13R1.659 C=CCCCCCCSCC1CO1 62a_100011215473_102125554688 [0,0,0,1,0,0|3,0,0]=4 10717 B13R1.659 C=CCCCCCCSCC1CO1 62a_102125554688_100011215473 [0,0,0,1,0,0|3,0,0]=4 10718 B13R1.659 C=CCCCCCCSCC1CS1 62a_100000031435_100011215473 [0,0,0,1,0,0|3,0,0]=4 10719 B13R1.659 C=CCCCCCCSCC1CS1 62a_100011215473_100000031435 [0,0,0,1,0,0|3,0,0]=4 10720 B13R1.659 C=CCCCCCCSC[C@@H]1CO1 62a_100000745022_100011215473 [0,0,0,1,0,0|3,0,0]=4 10721 B13R1.659 C=CCCCCCCSC[C@@H]1CO1 62a_100011215473_100000745022 [0,0,0,1,0,0|3,0,0]=4 10722 B13R1.659 C=CCCCCCNCCC1CC1 34a_100000764129_100000700193 [0,0,0,1,0,0|2,0,0]=3 10723 B13R1.659 C=CCCCCCOCCC1CC1 34a_100000754188_100000700193 [0,0,0,1,0,0|2,0,0]=3 10724 B13R1.659 C=CCCCCCOCCC1CC1 34a_100011216702_100000694398 [0,0,0,1,0,0|2,0,0]=3 10725 B13R1.659 C=CCCCCCOCCC1CC1 7a_100000754188_100000700193 [0,0,0,1,0,0|2,0,0]=3 10726 B13R1.659 C=CCCCCCOCCC1CC1 7a_100011216702_100000764125 [0,0,0,1,0,0|2,0,0]=3 10727 B13R1.659 C=CCCCCCOCCC1CO1 34a_100011216702_100000732470 [0,0,0,1,0,0|3,0,0]=4 10728 B13R1.659 C=CCCCCCOCCC1CO1 7a_100011216702_100000732470 [0,0,0,1,0,0|3,0,0]=4 10729 B13R1.659 C=CCCCCCOCC[C@@H]1CO1 34a_100009820653_100000700193 [0,0,0,1,0,0|3,0,0]=4 10730 B13R1.659 C=CCCCCCSCCC1CC1 62a_100000700193_100000764125 [0,0,0,1,0,0|2,0,0]=3 10731 B13R1.659 C=CCCCCCSCCC1CC1 62a_100000764125_100000700193 [0,0,0,1,0,0|2,0,0]=3 10732 B13R1.659 C=CCCCCCSCCC1CO1 62a_100000700193_100000732470 [0,0,0,1,0,0|3,0,0]=4 10733 B13R1.659 C=CCCCCCSCCC1CO1 62a_100000732470_100000700193 [0,0,0,1,0,0|3,0,0]=4 10734 B13R1.659 C=CCCCCNCCCC1CO1 2230a_100000703577_100000733510 [0,0,0,1,0,0|3,0,0]=4 10735 B13R1.659 C=CCCCCNCCCC1CO1 34a_100000703577_100000733510 [0,0,0,1,0,0|3,0,0]=4 10736 B13R1.659 C=CCCCCOCCCC1CO1 34a_100000766645_100000733510 [0,0,0,1,0,0|3,0,0]=4 10737 B13R1.659 C=CCCCCOCCCC1CO1 7a_100000766645_100000733510 [0,0,0,1,0,0|3,0,0]=4 10738 B13R1.659 C=CCCCCOCCNC1CC1 34a_100000738766_100011215482 [0,0,0,1,0,0|3,0,0]=4 10739 B13R1.659 C=CCCCCSCCCC1CO1 62a_100000733510_100011215482 [0,0,0,1,0,0|3,0,0]=4 10740 B13R1.659 C=CCCCCSCCCC1CO1 62a_100011215482_100000733510 [0,0,0,1,0,0|3,0,0]=4 10741 B13R1.659 C=COCCCCOCCC1CC1 34a_100000031558_100000694398 [0,0,0,1,0,0|3,0,0]=4 10742 B13R1.659 C=COCCCCOCCC1CC1 7a_100000031558_100000764125 [0,0,0,1,0,0|3,0,0]=4 10743 B13R1.659 CCCCCCCCCNC1CC1 34a_100000212008_100011214924 [0,0,0,1,0,0|2,0,1]=4 10744 B13R1.659 CCCCCCCCCNC1CC1 34a_100000212291_100000211595 [0,0,0,1,0,0|2,0,1]=4 10745 B13R1.659 CCCCCCCCCOC1CC1 34a_100000210712_100000211595 [0,0,0,1,0,0|2,0,1]=4 10746 B13R1.659 CCCCCCCCNCC1CC1 2230a_100000229939_100000742324 [0,0,0,1,0,0|2,0,1]=4 10747 B13R1.659 CCCCCCCCNCC1CC1 2230a_100000735609_100000210759 [0,0,0,1,0,0|2,0,1]=4 10748 B13R1.659 CCCCCCCCNCC1CC1 269862a_100000229939_100000741477 [0,0,0,1,0,0|2,0,1]=4 10749 B13R1.659 CCCCCCCCNCC1CC1 34a_100000229939_100000742324 [0,0,0,1,0,0|2,0,1]=4 10750 B13R1.659 CCCCCCCCNCC1CC1 34a_100000735609_100000210759 [0,0,0,1,0,0|2,0,1]=4 10751 B13R1.659 CCCCCCCCNCC1CO1 2230a_100000229939_100011216344 [0,0,0,1,0,0|1,0,2]=4 10752 B13R1.659 CCCCCCCCNCC1CO1 34a_100000229939_102125554688 [0,0,0,1,0,0|1,0,2]=4 10753 B13R1.659 CCCCCCCCOCC1CC1 34a_100000210232_100000742324 [0,0,0,1,0,0|2,0,1]=4 10754 B13R1.659 CCCCCCCCOCC1CC1 34a_100000211283_100000210759 [0,0,0,1,0,0|2,0,1]=4 10755 B13R1.659 CCCCCCCCOCC1CC1 7a_100000210232_100000742324 [0,0,0,1,0,0|2,0,1]=4 10756 B13R1.659 CCCCCCCCOCC1CO1 34a_100000210232_102125554688 [0,0,0,1,0,0|1,0,2]=4 10757 B13R1.659 CCCCCCCCOCC1CO1 7a_100000210232_102125554688 [0,0,0,1,0,0|1,0,2]=4 10758 B13R1.659 CCCCCCCCOCC1CS1 7a_100000210232_100000031435 [0,0,0,1,0,0|1,1,1]=4 10759 B13R1.659 CCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210759 [0,0,0,1,0,0|1,0,2]=4 10760 B13R1.659 CCCCCCCCOC[C@@H]1CO1 7a_100000210232_100000745022 [0,0,0,1,0,0|1,0,2]=4 10761 B13R1.659 CCCCCCCCSCC1CC1 62a_100000210759_100000742324 [0,0,0,1,0,0|2,0,1]=4 10762 B13R1.659 CCCCCCCCSCC1CC1 62a_100000756562_100000210317 [0,0,0,1,0,0|2,0,1]=4 10763 B13R1.659 CCCCCCCCSCC1CO1 62a_100000210759_102125554688 [0,0,0,1,0,0|1,0,2]=4 10764 B13R1.659 CCCCCCCCSCC1CO1 62a_102125554688_100000210317 [0,0,0,1,0,0|1,0,2]=4 10765 B13R1.659 CCCCCCCCSCC1CS1 62a_100000031435_100000210317 [0,0,0,1,0,0|1,1,1]=4 10766 B13R1.659 CCCCCCCCSCC1CS1 62a_100000210759_100000031435 [0,0,0,1,0,0|1,1,1]=4 10767 B13R1.659 CCCCCCCCSC[C@@H]1CO1 62a_100000210759_100000745022 [0,0,0,1,0,0|1,0,2]=4 10768 B13R1.659 CCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000210317 [0,0,0,1,0,0|1,0,2]=4 10769 B13R1.659 CCCCCCCNCCC1CC1 2230a_100000229938_100000694398 [0,0,0,1,0,0|2,0,1]=4 10770 B13R1.659 CCCCCCCNCCC1CC1 34a_100000764129_100000210614 [0,0,0,1,0,0|2,0,1]=4 10771 B13R1.659 CCCCCCCNCCC1CO1 2230a_100000229938_100000732470 [0,0,0,1,0,0|1,0,2]=4 10772 B13R1.659 CCCCCCCOCCC1CC1 34a_100000210272_100000694398 [0,0,0,1,0,0|2,0,1]=4 10773 B13R1.659 CCCCCCCOCCC1CC1 34a_100000754188_100000210614 [0,0,0,1,0,0|2,0,1]=4 10774 B13R1.659 CCCCCCCOCCC1CC1 7a_100000210272_100000764125 [0,0,0,1,0,0|2,0,1]=4 10775 B13R1.659 CCCCCCCOCCC1CC1 7a_100000754188_100000210614 [0,0,0,1,0,0|2,0,1]=4 10776 B13R1.659 CCCCCCCOCCC1CO1 34a_100000210272_100000732470 [0,0,0,1,0,0|1,0,2]=4 10777 B13R1.659 CCCCCCCOCCC1CO1 7a_100000210272_100000732470 [0,0,0,1,0,0|1,0,2]=4 10778 B13R1.659 CCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210614 [0,0,0,1,0,0|1,0,2]=4 10779 B13R1.659 CCCCCCCSCCC1CC1 62a_100000210614_100000764125 [0,0,0,1,0,0|2,0,1]=4 10780 B13R1.659 CCCCCCCSCCC1CC1 62a_100000764125_100000210316 [0,0,0,1,0,0|2,0,1]=4 10781 B13R1.659 CCCCCCCSCCC1CO1 62a_100000210614_100000732470 [0,0,0,1,0,0|1,0,2]=4 10782 B13R1.659 CCCCCCCSCCC1CO1 62a_100000732470_100000210316 [0,0,0,1,0,0|1,0,2]=4 10783 B13R1.659 CCCCCCNCCCC1CO1 2230a_100000210581_100000733510 [0,0,0,1,0,0|1,0,2]=4 10784 B13R1.659 CCCCCCOCCCC1CO1 34a_100000210259_100000733510 [0,0,0,1,0,0|1,0,2]=4 10785 B13R1.659 CCCCCCOCCCC1CO1 7a_100000210259_100000733510 [0,0,0,1,0,0|1,0,2]=4 10786 B13R1.659 CCCCCCSCCCC1CO1 62a_100000210314_100000733510 [0,0,0,1,0,0|1,0,2]=4 10787 B13R1.659 CCCCCCSCCCC1CO1 62a_100000733510_100000210757 [0,0,0,1,0,0|1,0,2]=4 10788 B13R1.659 CNCCCCCOCCC1CC1 34a_100000722520_100000694398 [0,0,0,1,0,0|3,0,0]=4 10789 B13R1.659 COCCCCCCNCC1CC1 2230a_100000735609_100011998445 [0,0,0,1,0,0|3,0,0]=4 10790 B13R1.659 COCCCCCCNCC1CC1 34a_100000735609_100011998445 [0,0,0,1,0,0|3,0,0]=4 10791 B13R1.659 COCCCCCCOCC1CC1 34a_100000211283_100011998445 [0,0,0,1,0,0|3,0,0]=4 10792 B13R1.659 COCCCCCCOCC1CC1 34a_200012092642_100000742324 [0,0,0,1,0,0|3,0,0]=4 10793 B13R1.659 COCCCCCCOCC1CC1 7a_200012092642_100000742324 [0,0,0,1,0,0|3,0,0]=4 10794 B13R1.659 COCCCCCCSCC1CC1 62a_100000756562_100011998445 [0,0,0,1,0,0|3,0,0]=4 10795 B13R1.659 COCCCCCCSCC1CC1 62a_100011998445_100000742324 [0,0,0,1,0,0|3,0,0]=4 10796 B13R1.659 COCCCCCNCCC1CC1 2230a_100000747528_100000694398 [0,0,0,1,0,0|3,0,0]=4 10797 B13R1.659 COCCCCCNCCC1CC1 34a_100000747528_100000694398 [0,0,0,1,0,0|3,0,0]=4 10798 B13R1.659 ClCCCCCCCCOC1CC1 34a_100000033203_100000211595 [0,0,0,1,0,0|2,0,1]=4 10799 B13R1.659 ClCCCCCCOCCC1CC1 34a_100000766143_100000694398 [0,0,0,1,0,0|2,0,1]=4 10800 B13R1.659 ClCCCCCCOCCC1CC1 7a_100000766143_100000764125 [0,0,0,1,0,0|2,0,1]=4 10801 B13R1.659 FCCCCCCNCCC1CC1 34a_100000764129_100015922095 [0,0,0,1,0,0|2,0,1]=4 10802 B13R1.659 FCCCCCCOCCC1CC1 34a_100000732779_100000694398 [0,0,0,1,0,0|2,0,1]=4 10803 B13R1.659 FCCCCCCOCCC1CC1 34a_100000754188_100015922095 [0,0,0,1,0,0|2,0,1]=4 10804 B13R1.659 FCCCCCCOCCC1CC1 7a_100000732779_100000764125 [0,0,0,1,0,0|2,0,1]=4 10805 B13R1.659 FCCCCCCOCCC1CC1 7a_100000754188_100015922095 [0,0,0,1,0,0|2,0,1]=4 10806 B13R1.659 FCCCCCCSCCC1CC1 62a_100000764125_100015922095 [0,0,0,1,0,0|2,0,1]=4 10807 B13R1.659 FCCCCCCSCCC1CC1 62a_100015922095_100000764125 [0,0,0,1,0,0|2,0,1]=4 10808 B13R1.659 N#CCCCCCCNCC1CC1 2230a_100000735609_100009813337 [0,0,0,1,0,0|2,0,1]=4 10809 B13R1.659 N#CCCCCCCSCC1CC1 62a_100000756562_100009813337 [0,0,0,1,0,0|2,0,1]=4 10810 B13R1.659 N#CCCCCCCSCC1CC1 62a_100009813337_100000742324 [0,0,0,1,0,0|2,0,1]=4 10811 B13R1.659 N#CCCCCCOCCC1CC1 7a_100000754188_100009813376 [0,0,0,1,0,0|2,0,1]=4 10812 B13R1.659 N#CCCCCCSCCC1CC1 62a_100000764125_100009813376 [0,0,0,1,0,0|2,0,1]=4 10813 B13R1.659 N#CCCCCCSCCC1CC1 62a_100009813376_100000764125 [0,0,0,1,0,0|2,0,1]=4 10814 B13R1.659 NCCCCCCCCOC1CC1 34a_102515433106_100000211595 [0,0,0,1,0,0|2,0,1]=4 10815 B13R1.659 NCCCCCCCOCC1CC1 34a_100011996573_100000742324 [0,0,0,1,0,0|2,0,1]=4 10816 B13R1.659 NCCCCCCOCCC1CC1 34a_100000686447_100000694398 [0,0,0,1,0,0|2,0,1]=4 10817 B13R1.659 O=CCCCCCOCCC1CC1 7a_100000754188_100000139337 [0,0,0,1,0,0|1,0,0]=2 10818 B13R1.659 O=CCCCCCSCCC1CC1 62a_100000139337_100000764125 [0,0,0,1,0,0|1,0,0]=2 10819 B13R1.659 O=CCCCCCSCCC1CC1 62a_100000764125_100000139337 [0,0,0,1,0,0|1,0,0]=2 10820 B13R1.659 O=CCCCCCSCCC1CO1 62a_100000139337_100000732470 [0,0,0,1,0,0|2,0,0]=3 10821 B13R1.659 O=CCCCCCSCCC1CO1 62a_100000732470_100000139337 [0,0,0,1,0,0|2,0,0]=3 10822 B13R1.659 O=CCCCCOCC#CC1CC1 7a_100000083941_100000139335 [0,0,0,1,0,0|1,0,2]=4 10823 B13R1.659 O=CCCCCSCC#CC1CC1 62a_100000139335_100009895102 [0,0,0,1,0,0|1,0,2]=4 10824 B13R1.659 O=CCCCCSCC#CC1CC1 62a_100009895102_100000139335 [0,0,0,1,0,0|1,0,2]=4 10825 B13R1.659 O=CCCCCSCCCC1CO1 62a_100000139335_100000733510 [0,0,0,1,0,0|2,0,0]=3 10826 B13R1.659 O=CCCCCSCCCC1CO1 62a_100000733510_100000139335 [0,0,0,1,0,0|2,0,0]=3 10827 B13R1.659 O=CCOCCCCOCC1CO1 34a_100010889290_200009817547 [0,0,0,1,0,0|3,0,0]=4 10828 B13R1.659 O=CCOCCCCOCC1CO1 7a_100010889290_200015260668 [0,0,0,1,0,0|3,0,0]=4 10829 B13R1.659 OCCCCCCCCNC1CC1 34a_100000212008_100000033203 [0,0,0,1,0,0|1,0,2]=4 10830 B13R1.659 OCCCCCCCCNC1CC1 34a_102515433106_100000211595 [0,0,0,1,0,0|1,0,2]=4 10831 B13R1.659 OCCCCCCCCSC1CC1 62a_100000033203_100000211595 [0,0,0,1,0,0|1,0,2]=4 10832 B13R1.659 OCCCCCCCNCC1CC1 2230a_100000735609_100000760002 [0,0,0,1,0,0|1,0,2]=4 10833 B13R1.659 OCCCCCCCNCC1CC1 2230a_100011996573_100000742324 [0,0,0,1,0,0|1,0,2]=4 10834 B13R1.659 OCCCCCCCNCC1CC1 269862a_100011996573_100000741477 [0,0,0,1,0,0|1,0,2]=4 10835 B13R1.659 OCCCCCCCNCC1CC1 34a_100000735609_100000760002 [0,0,0,1,0,0|1,0,2]=4 10836 B13R1.659 OCCCCCCCNCC1CC1 34a_100011996573_100000742324 [0,0,0,1,0,0|1,0,2]=4 10837 B13R1.659 OCCCCCCCOCC1CC1 34a_100000211283_100000760002 [0,0,0,1,0,0|1,0,2]=4 10838 B13R1.659 OCCCCCCCSCC1CC1 62a_100000756562_100000760002 [0,0,0,1,0,0|1,0,2]=4 10839 B13R1.659 OCCCCCCCSCC1CC1 62a_100000760002_100000742324 [0,0,0,1,0,0|1,0,2]=4 10840 B13R1.659 OCCCCCCNCCC1CC1 2230a_100000686447_100000694398 [0,0,0,1,0,0|1,0,2]=4 10841 B13R1.659 OCCCCCCNCCC1CC1 34a_100000686447_100000694398 [0,0,0,1,0,0|1,0,2]=4 10842 B13R1.659 OCCCCCCNCCC1CC1 34a_100000764129_100000766143 [0,0,0,1,0,0|1,0,2]=4 10843 B13R1.659 OCCCCCCOCCC1CC1 34a_100000754188_100000766143 [0,0,0,1,0,0|1,0,2]=4 10844 B13R1.659 OCCCCCCOCCC1CC1 7a_100000754188_100000766143 [0,0,0,1,0,0|1,0,2]=4 10845 B13R1.659 OCCCCCCSCCC1CC1 62a_100000764125_100000766143 [0,0,0,1,0,0|1,0,2]=4 10846 B13R1.659 OCCCCCCSCCC1CC1 62a_100000766143_100000764125 [0,0,0,1,0,0|1,0,2]=4 10847 B13R1.667 C#CCCCCCCN1CCC1C 269982a_100000755817_100012276617 [0,0,0,1,0,0|2,0,1]=4 10848 B13R1.667 C#CCCCCCCN1CCC1C 34a_100000755817_100012276617 [0,0,0,1,0,0|2,0,1]=4 10849 B13R1.667 C#CCCCCCOC1CCC1=O 34a_100000766912_100009892977 [0,0,0,1,0,0|1,0,2]=4 10850 B13R1.667 C#CCCCCCOC1CCC1=O 7a_100000766912_100009892977 [0,0,0,1,0,0|1,0,2]=4 10851 B13R1.667 C#CCCCCCSC1CCC1=O 62a_100009892977_100012094781 [0,0,0,1,0,0|1,0,2]=4 10852 B13R1.667 C#CCCCCCSC1CCC1=O 62a_100012094781_100009892977 [0,0,0,1,0,0|1,0,2]=4 10853 B13R1.667 C#CCCCOCCC1CCC1=O 7a_100000215630_200016118888 [0,0,0,1,0,0|1,0,2]=4 10854 B13R1.667 C#CCCCSCCC1CCC1=O 62a_100011215417_200016118888 [0,0,0,1,0,0|1,0,2]=4 10855 B13R1.667 C#CCCCSCCC1CCC1=O 62a_200016118888_100011215417 [0,0,0,1,0,0|1,0,2]=4 10856 B13R1.667 C=CCCCCCCN1CCC1C 269982a_100000755817_100011215473 [0,0,0,1,0,0|2,0,0]=3 10857 B13R1.667 C=CCCCCCCN1CCC1C 34a_100000755817_100011215473 [0,0,0,1,0,0|2,0,0]=3 10858 B13R1.667 C=CCCCCCOC1CCC1=O 34a_100011216702_100009892977 [0,0,0,1,0,0|1,0,2]=4 10859 B13R1.667 C=CCCCCCOC1CCC1=O 7a_100011216702_100009892977 [0,0,0,1,0,0|1,0,2]=4 10860 B13R1.667 C=CCCCCCSC1CCC1=O 62a_100000700193_100009892977 [0,0,0,1,0,0|1,0,2]=4 10861 B13R1.667 C=CCCCCCSC1CCC1=O 62a_100009892977_100000700193 [0,0,0,1,0,0|1,0,2]=4 10862 B13R1.667 C=CCCCNCCC1CCC1=O 2230a_100000700776_200016118888 [0,0,0,1,0,0|1,0,2]=4 10863 B13R1.667 C=CCCCOCCC1CCC1=O 7a_100000758997_200016118888 [0,0,0,1,0,0|1,0,2]=4 10864 B13R1.667 C=CCCCSCCC1CCC1=O 62a_100011713584_200016118888 [0,0,0,1,0,0|1,0,2]=4 10865 B13R1.667 C=CCCCSCCC1CCC1=O 62a_200016118888_100000757094 [0,0,0,1,0,0|1,0,2]=4 10866 B13R1.667 CC/C=C/CCCOC1CCC1=O 34a_100016287902_100009892977 [0,0,0,1,0,0|1,0,2]=4 10867 B13R1.667 CC/C=C/CCCOC1CCC1=O 7a_100016287902_100009892977 [0,0,0,1,0,0|1,0,2]=4 10868 B13R1.667 CC/C=C\CSCCC1CCC1=O 62a_100103147603_200016118888 [0,0,0,1,0,0|1,0,2]=4 10869 B13R1.667 CC/C=C\CSCCC1CCC1=O 62a_200016118888_100103147603 [0,0,0,1,0,0|1,0,2]=4 10870 B13R1.667 CC1CCN1CCCCCCC#N 269982a_100000755817_100009813337 [0,0,0,1,0,0|2,0,1]=4 10871 B13R1.667 CC1CCN1CCCCCCCO 269982a_100000755817_100000760002 [0,0,0,1,0,0|1,0,2]=4 10872 B13R1.667 CC1CCN1CCCCCCCO 34a_100000755817_100000760002 [0,0,0,1,0,0|1,0,2]=4 10873 B13R1.667 CCC#CCSCCC1CCC1=O 62a_100009813939_200016118888 [0,0,0,1,0,0|1,0,2]=4 10874 B13R1.667 CCC#CCSCCC1CCC1=O 62a_200016118888_100009813939 [0,0,0,1,0,0|1,0,2]=4 10875 B13R1.667 CCCC#CCCOC1CCC1=O 34a_100000042726_100009892977 [0,0,0,1,0,0|1,0,2]=4 10876 B13R1.667 CCCC#CCCOC1CCC1=O 7a_100000042726_100009892977 [0,0,0,1,0,0|1,0,2]=4 10877 B13R1.667 CCCC/C=C/COC1CCC1=O 34a_200016272032_100009892977 [0,0,0,1,0,0|1,0,2]=4 10878 B13R1.667 CCCC/C=C/COC1CCC1=O 7a_200016272032_100009892977 [0,0,0,1,0,0|1,0,2]=4 10879 B13R1.667 CCCCC#CCOC1CCC1=O 34a_200000034558_100009892977 [0,0,0,1,0,0|1,0,2]=4 10880 B13R1.667 CCCCC#CCOC1CCC1=O 7a_200000034558_100009892977 [0,0,0,1,0,0|1,0,2]=4 10881 B13R1.667 CCCCCCCCN1CCC1C 269982a_100000755817_100000210759 [0,0,0,1,0,0|2,0,1]=4 10882 B13R1.667 CCCCCCCCN1CCC1C 34a_100000755817_100000210759 [0,0,0,1,0,0|2,0,1]=4 10883 B13R1.667 CCCCCCCOC1CCC1=O 34a_100000210272_100009892977 [0,0,0,1,0,0|1,0,0]=2 10884 B13R1.667 CCCCCCCOC1CCC1=O 7a_100000210272_100009892977 [0,0,0,1,0,0|1,0,0]=2 10885 B13R1.667 CCCCCCCSC1CCC1=O 62a_100000210614_100009892977 [0,0,0,1,0,0|1,0,0]=2 10886 B13R1.667 CCCCCCCSC1CCC1=O 62a_100009892977_100000210316 [0,0,0,1,0,0|1,0,0]=2 10887 B13R1.667 CCCCCNCCC1CCC1=O 2230a_100000209983_200016118888 [0,0,0,1,0,0|1,0,0]=2 10888 B13R1.667 CCCCCOCCC1CCC1=O 7a_100000210253_200016118888 [0,0,0,1,0,0|1,0,0]=2 10889 B13R1.667 CCCCCSCCC1CCC1=O 62a_100000210326_200016118888 [0,0,0,1,0,0|1,0,0]=2 10890 B13R1.667 CCCCCSCCC1CCC1=O 62a_200016118888_100000210326 [0,0,0,1,0,0|1,0,0]=2 10891 B13R1.667 CCCCOCCOC1CCC1=O 34a_100000210238_100009892977 [0,0,0,1,0,0|2,0,0]=3 10892 B13R1.667 CCCCOCCOC1CCC1=O 7a_100000210238_100009892977 [0,0,0,1,0,0|2,0,0]=3 10893 B13R1.667 CCCCOCCSC1CCC1=O 62a_100000743108_100009892977 [0,0,0,1,0,0|2,0,0]=3 10894 B13R1.667 CCCCOCCSC1CCC1=O 62a_100009892977_100000743108 [0,0,0,1,0,0|2,0,0]=3 10895 B13R1.667 CCCCSCCOC1CCC1=O 34a_200000230436_100009892977 [0,0,0,1,0,0|2,0,0]=3 10896 B13R1.667 CCCCSCCOC1CCC1=O 7a_200000230436_100009892977 [0,0,0,1,0,0|2,0,0]=3 10897 B13R1.667 CCCOCCCNC1CCC1=O 34a_100011217757_100009892977 [0,0,0,1,0,0|2,0,0]=3 10898 B13R1.667 CCOCCNCCC1CCC1=O 2230a_102516460346_200016118888 [0,0,0,1,0,0|2,0,0]=3 10899 B13R1.667 CCOCCOCCC1CCC1=O 7a_100000210136_200016118888 [0,0,0,1,0,0|2,0,0]=3 10900 B13R1.667 CCOCCSCCC1CCC1=O 62a_100000210147_200016118888 [0,0,0,1,0,0|2,0,0]=3 10901 B13R1.667 CCOCCSCCC1CCC1=O 62a_200016118888_100011215890 [0,0,0,1,0,0|2,0,0]=3 10902 B13R1.667 CCSCCNCCC1CCC1=O 2230a_100000106463_200016118888 [0,0,0,1,0,0|2,0,0]=3 10903 B13R1.667 CCSCCOCCC1CCC1=O 7a_100000212035_200016118888 [0,0,0,1,0,0|2,0,0]=3 10904 B13R1.667 CCSCCSCCC1CCC1=O 62a_100000757381_200016118888 [0,0,0,1,0,0|2,0,0]=3 10905 B13R1.667 CCSCCSCCC1CCC1=O 62a_200016118888_100000757381 [0,0,0,1,0,0|2,0,0]=3 10906 B13R1.667 CNCCCCCOC1CCC1=O 34a_100000722520_100009892977 [0,0,0,1,0,0|2,0,0]=3 10907 B13R1.667 CNCCOCCOC1CCC1=O 34a_100000228057_100009892977 [0,0,0,1,0,0|3,0,0]=4 10908 B13R1.667 COCCCCCCN1CCC1C 269982a_100000755817_100011998445 [0,0,0,1,0,0|3,0,0]=4 10909 B13R1.667 COCCCCCCN1CCC1C 34a_100000755817_100011998445 [0,0,0,1,0,0|3,0,0]=4 10910 B13R1.667 COCCCCCNC1CCC1=O 34a_100000747528_100009892977 [0,0,0,1,0,0|2,0,0]=3 10911 B13R1.667 COCCCSCCC1CCC1=O 62a_100000709357_200016118888 [0,0,0,1,0,0|2,0,0]=3 10912 B13R1.667 COCCCSCCC1CCC1=O 62a_200016118888_100000709357 [0,0,0,1,0,0|2,0,0]=3 10913 B13R1.667 COCCOCCNC1CCC1=O 34a_100000745349_100009892977 [0,0,0,1,0,0|3,0,0]=4 10914 B13R1.667 COCCOCCOC1CCC1=O 34a_100011215163_100009892977 [0,0,0,1,0,0|3,0,0]=4 10915 B13R1.667 COCCOCCOC1CCC1=O 7a_100011215163_100009892977 [0,0,0,1,0,0|3,0,0]=4 10916 B13R1.667 COCCOCCSC1CCC1=O 62a_100000695917_100009892977 [0,0,0,1,0,0|3,0,0]=4 10917 B13R1.667 COCCOCCSC1CCC1=O 62a_100009892977_100000695917 [0,0,0,1,0,0|3,0,0]=4 10918 B13R1.667 CSCCCNCCC1CCC1=O 2230a_100000749238_200016118888 [0,0,0,1,0,0|2,0,0]=3 10919 B13R1.667 CSCCCOCCC1CCC1=O 7a_100000690336_200016118888 [0,0,0,1,0,0|2,0,0]=3 10920 B13R1.667 N#CCCCCCSC1CCC1=O 62a_100009813376_100009892977 [0,0,0,1,0,0|2,0,1]=4 10921 B13R1.667 N#CCCCCCSC1CCC1=O 62a_100009892977_100009813376 [0,0,0,1,0,0|2,0,1]=4 10922 B13R1.667 N#CCCCSCCC1CCC1=O 62a_100000687738_200016118888 [0,0,0,1,0,0|2,0,1]=4 10923 B13R1.667 N#CCCCSCCC1CCC1=O 62a_200016118888_100000687738 [0,0,0,1,0,0|2,0,1]=4 10924 B13R1.667 NCCCCCCOC1CCC1=O 34a_100000686447_100009892977 [0,0,0,1,0,0|2,0,0]=3 10925 B13R1.667 O=C1CCC1CCNCCCCO 2230a_100000750430_200016118888 [0,0,0,1,0,0|2,0,0]=3 10926 B13R1.667 O=C1CCC1CCOCCCCCl 7a_100000210776_200016118888 [0,0,0,1,0,0|2,0,0]=3 10927 B13R1.667 O=C1CCC1CCOCCCCF 7a_100011995726_200016118888 [0,0,0,1,0,0|2,0,0]=3 10928 B13R1.667 O=C1CCC1CCSCCCCF 62a_100000729493_200016118888 [0,0,0,1,0,0|2,0,0]=3 10929 B13R1.667 O=C1CCC1CCSCCCCF 62a_200016118888_100000729493 [0,0,0,1,0,0|2,0,0]=3 10930 B13R1.667 O=C1CCC1CCSCCCCO 62a_100000210776_200016118888 [0,0,0,1,0,0|2,0,0]=3 10931 B13R1.667 O=C1CCC1CCSCCCCO 62a_200016118888_100000210776 [0,0,0,1,0,0|2,0,0]=3 10932 B13R1.667 O=C1CCC1NCCCCCCO 34a_100000686447_100009892977 [0,0,0,1,0,0|2,0,0]=3 10933 B13R1.667 O=C1CCC1OCCCCCCBr 34a_100011215345_100009892977 [0,0,0,1,0,0|2,0,0]=3 10934 B13R1.667 O=C1CCC1OCCCCCCBr 7a_100011215345_100009892977 [0,0,0,1,0,0|2,0,0]=3 10935 B13R1.667 O=C1CCC1OCCCCCCCl 34a_100000766143_100009892977 [0,0,0,1,0,0|2,0,0]=3 10936 B13R1.667 O=C1CCC1OCCCCCCCl 7a_100000766143_100009892977 [0,0,0,1,0,0|2,0,0]=3 10937 B13R1.667 O=C1CCC1OCCCCCCF 34a_100000732779_100009892977 [0,0,0,1,0,0|2,0,0]=3 10938 B13R1.667 O=C1CCC1OCCCCCCF 7a_100000732779_100009892977 [0,0,0,1,0,0|2,0,0]=3 10939 B13R1.667 O=C1CCC1SCCCCCCF 62a_100009892977_100015922095 [0,0,0,1,0,0|2,0,0]=3 10940 B13R1.667 O=C1CCC1SCCCCCCF 62a_100015922095_100009892977 [0,0,0,1,0,0|2,0,0]=3 10941 B13R1.667 O=C1CCC1SCCCCCCO 62a_100000766143_100009892977 [0,0,0,1,0,0|2,0,0]=3 10942 B13R1.667 O=C1CCC1SCCCCCCO 62a_100009892977_100000766143 [0,0,0,1,0,0|2,0,0]=3 10943 B13R1.667 O=CCCCCCSC1CCC1=O 62a_100000139337_100009892977 [0,0,0,1,0,0|2,0,1]=4 10944 B13R1.667 O=CCCCCCSC1CCC1=O 62a_100009892977_100000139337 [0,0,0,1,0,0|2,0,1]=4 10945 B13R1.667 O=CCCCSCCC1CCC1=O 62a_200011292268_200016118888 [0,0,0,1,0,0|2,0,1]=4 10946 B13R1.667 O=CCCCSCCC1CCC1=O 62a_200016118888_200011292268 [0,0,0,1,0,0|2,0,1]=4 10947 B13R1.671 C=CCCCN1CCC[C@H]1COC 2230a_100020646714_100011713584 [0,0,0,1,0,0|3,0,0]=4 10948 B13R1.671 C=CCCCN1CCC[C@H]1COC 269982a_100020646714_100000757094 [0,0,0,1,0,0|3,0,0]=4 10949 B13R1.671 C=CCCCN1CCC[C@H]1COC 34a_100020646714_100000757094 [0,0,0,1,0,0|3,0,0]=4 10950 B13R1.671 C=CCCNC1CCCC1CCC 269862a_100015191253_100000723119 [0,0,0,1,0,0|2,0,0]=3 10951 B13R1.671 C=CCCNC1CCCC1CCC 270004a_100015191253_100000723119 [0,0,0,1,0,0|2,0,0]=3 10952 B13R1.671 C=CCOCC1CCCN1CCC 34a_200000694710_100015514636 [0,0,0,1,0,0|3,0,0]=4 10953 B13R1.671 C=CCOCC1CCCN1CCC 7a_200000694710_100015514636 [0,0,0,1,0,0|3,0,0]=4 10954 B13R1.671 CCCC1CCCC1NCCC#N 270004a_100000720768_100000723119 [0,0,0,1,0,0|2,0,1]=4 10955 B13R1.671 CCCC1CCCC1NCCCF 269862a_100015189416_100000723119 [0,0,0,1,0,0|2,0,1]=4 10956 B13R1.671 CCCC1CCCC1NCCCF 270004a_100015189416_100000723119 [0,0,0,1,0,0|2,0,1]=4 10957 B13R1.671 CCCC1CCCC1NCCCO 269862a_100000182051_100000723119 [0,0,0,1,0,0|1,0,2]=4 10958 B13R1.671 CCCC1CCCC1NCCCO 270004a_100000182051_100000723119 [0,0,0,1,0,0|1,0,2]=4 10959 B13R1.671 CCCC1CCCC1NCCOC 269862a_100000209980_100000723119 [0,0,0,1,0,0|3,0,0]=4 10960 B13R1.671 CCCC1CCCC1NCCOC 270004a_100000209980_100000723119 [0,0,0,1,0,0|3,0,0]=4 10961 B13R1.671 CCCC1CCCC1NCCSC 269862a_100020590264_100000723119 [0,0,0,1,0,0|3,0,0]=4 10962 B13R1.671 CCCC1CCCC1NCCSC 270004a_100020590264_100000723119 [0,0,0,1,0,0|3,0,0]=4 10963 B13R1.671 CCCCCC1CCCC1NCC 269862a_100015525214_200000198059 [0,0,0,1,0,0|2,0,1]=4 10964 B13R1.671 CCCCCC1CCCC1NCC 270004a_100015525214_200000198059 [0,0,0,1,0,0|2,0,1]=4 10965 B13R1.671 CCCCCN1CCC[C@H]1COC 2230a_100020646714_100000210326 [0,0,0,1,0,0|3,0,0]=4 10966 B13R1.671 CCCCCN1CCC[C@H]1COC 269982a_100020646714_100000210215 [0,0,0,1,0,0|3,0,0]=4 10967 B13R1.671 CCCCCN1CCC[C@H]1COC 34a_100020646714_100000718602 [0,0,0,1,0,0|3,0,0]=4 10968 B13R1.671 CCCCNC1CCCC1CCC 269862a_100000102301_100000723119 [0,0,0,1,0,0|2,0,1]=4 10969 B13R1.671 CCCCNC1CCCC1CCC 270004a_100000102301_100000723119 [0,0,0,1,0,0|2,0,1]=4 10970 B13R1.671 CCCN1CCCC1COCC=O 34a_200000694710_200009817547 [0,0,0,1,0,0|2,0,0]=3 10971 B13R1.671 CCCN1CCCC1COCC=O 7a_200000694710_200015260668 [0,0,0,1,0,0|2,0,0]=3 10972 B13R1.671 COC[C@@H]1CCCN1CCCC=O 2230a_100020646714_200011292268 [0,0,0,1,0,0|2,0,0]=3 10973 B13R1.671 COC[C@@H]1CCCN1CCCC=O 269982a_100020646714_200011292268 [0,0,0,1,0,0|2,0,0]=3 10974 B13R1.1150 C#CCCCN1CCCCCCC1 2230a_100000211400_100000731252 [0,0,0,1,0,0|2,0,1]=4 10975 B13R1.1150 C#CCCCN1CCCCCCC1 269982a_100000211400_100011215417 [0,0,0,1,0,0|2,0,1]=4 10976 B13R1.1150 C#CCCCN1CCCCCCC1 34a_100000211400_100000695029 [0,0,0,1,0,0|2,0,1]=4 10977 B13R1.1150 C#CCCNC1CCCCCCC1 2230a_100000211152_100000688953 [0,0,0,1,0,0|2,0,1]=4 10978 B13R1.1150 C#CCCNC1CCCCCCC1 34a_100000211152_100000688953 [0,0,0,1,0,0|2,0,1]=4 10979 B13R1.1150 C#CCCOC1CCCCCCC1 34a_100000210054_100000688953 [0,0,0,1,0,0|2,0,1]=4 10980 B13R1.1150 C#CCCOC1CCCCCCC1 7a_100000210054_100000688953 [0,0,0,1,0,0|2,0,1]=4 10981 B13R1.1150 C#CCOCC1CCCCCCC1 34a_100011216312_100000184674 [0,0,0,1,0,0|2,0,1]=4 10982 B13R1.1150 C#CCOCC1CCCCCCC1 7a_100011216312_100000038162 [0,0,0,1,0,0|2,0,1]=4 10983 B13R1.1150 C/C=C/CNC1CCCCCCC1 34a_100000211152_100102629194 [0,0,0,1,0,0|2,0,1]=4 10984 B13R1.1150 C/C=C/COC1CCCCCCC1 34a_100000210054_100102629194 [0,0,0,1,0,0|2,0,1]=4 10985 B13R1.1150 C/C=C/COC1CCCCCCC1 7a_100000210054_100102629194 [0,0,0,1,0,0|2,0,1]=4 10986 B13R1.1150 C=CCCCN1CCCCCCC1 2230a_100000211400_100011713584 [0,0,0,1,0,0|2,0,0]=3 10987 B13R1.1150 C=CCCCN1CCCCCCC1 269982a_100000211400_100000757094 [0,0,0,1,0,0|2,0,0]=3 10988 B13R1.1150 C=CCCCN1CCCCCCC1 34a_100000211400_100000757094 [0,0,0,1,0,0|2,0,0]=3 10989 B13R1.1150 C=CCCNC1CCCCCCC1 2230a_100000211152_100000754431 [0,0,0,1,0,0|2,0,0]=3 10990 B13R1.1150 C=CCCNC1CCCCCCC1 270004a_100015191253_100000210524 [0,0,0,1,0,0|2,0,0]=3 10991 B13R1.1150 C=CCCNC1CCCCCCC1 34a_100000211152_100000754431 [0,0,0,1,0,0|2,0,0]=3 10992 B13R1.1150 C=CCCOC1CCCCCCC1 34a_100000210054_100000754431 [0,0,0,1,0,0|2,0,0]=3 10993 B13R1.1150 C=CCCOC1CCCCCCC1 7a_100000210054_100000754431 [0,0,0,1,0,0|2,0,0]=3 10994 B13R1.1150 C=CCOCC1CCCCCCC1 34a_100011216312_100015514636 [0,0,0,1,0,0|2,0,0]=3 10995 B13R1.1150 C=CCOCC1CCCCCCC1 7a_100011216312_100015514636 [0,0,0,1,0,0|2,0,0]=3 10996 B13R1.1150 C=COCCN1CCCCCCC1 2230a_100000211400_100000039644 [0,0,0,1,0,0|3,0,0]=4 10997 B13R1.1150 C=COCCN1CCCCCCC1 269982a_100000211400_100000039644 [0,0,0,1,0,0|3,0,0]=4 10998 B13R1.1150 C=COCCN1CCCCCCC1 34a_100000211400_100000039644 [0,0,0,1,0,0|3,0,0]=4 10999 B13R1.1150 CC=CCNC1CCCCCCC1 2230a_100000211152_100000070051 [0,0,0,1,0,0|2,0,1]=4 11000 B13R1.1150 CC=CCNC1CCCCCCC1 34a_100000211152_100000070051 [0,0,0,1,0,0|2,0,1]=4 11001 B13R1.1150 CC=CCOC1CCCCCCC1 34a_100000210054_100000070051 [0,0,0,1,0,0|2,0,1]=4 11002 B13R1.1150 CC=CCOC1CCCCCCC1 7a_100000210054_100000070051 [0,0,0,1,0,0|2,0,1]=4 11003 B13R1.1150 CCCCCN1CCCCCCC1 2230a_100000211400_100000210326 [0,0,0,1,0,0|2,0,1]=4 11004 B13R1.1150 CCCCCN1CCCCCCC1 269982a_100000211400_100000210215 [0,0,0,1,0,0|2,0,1]=4 11005 B13R1.1150 CCCCCN1CCCCCCC1 34a_100000211400_100000718602 [0,0,0,1,0,0|2,0,1]=4 11006 B13R1.1150 CCCCNC1CCCCCCC1 2230a_100000211152_100000210211 [0,0,0,1,0,0|2,0,1]=4 11007 B13R1.1150 CCCCNC1CCCCCCC1 270004a_100000102301_100000210524 [0,0,0,1,0,0|2,0,1]=4 11008 B13R1.1150 CCCCNC1CCCCCCC1 34a_100000211152_100000210210 [0,0,0,1,0,0|2,0,1]=4 11009 B13R1.1150 CCCCOC1C=CCCCCC1 34a_100000688657_100000210210 [0,0,0,1,0,0|2,0,0]=3 11010 B13R1.1150 CCCCOC1CCCCCCC1 34a_100000210054_100000210210 [0,0,0,1,0,0|2,0,1]=4 11011 B13R1.1150 CCCCOC1CCCCCCC1 7a_100000210054_100000210211 [0,0,0,1,0,0|2,0,1]=4 11012 B13R1.1150 CCCOCC1CCCCCCC1 34a_100011216312_100000210303 [0,0,0,1,0,0|2,0,1]=4 11013 B13R1.1150 CCCOCC1CCCCCCC1 7a_100011216312_100000210303 [0,0,0,1,0,0|2,0,1]=4 11014 B13R1.1150 CCNCCC1CCCCCCC1 2230a_100011532352_100000210202 [0,0,0,1,0,0|2,0,1]=4 11015 B13R1.1150 CCNCCC1CCCCCCC1 34a_100011532352_100000210202 [0,0,0,1,0,0|2,0,1]=4 11016 B13R1.1150 COCCCN1CCCCCCC1 2230a_100000211400_100000740836 [0,0,0,1,0,0|3,0,0]=4 11017 B13R1.1150 COCCCN1CCCCCCC1 269982a_100000211400_100000740836 [0,0,0,1,0,0|3,0,0]=4 11018 B13R1.1150 COCCCN1CCCCCCC1 34a_100000211400_100000740836 [0,0,0,1,0,0|3,0,0]=4 11019 B13R1.1150 COCCNC1CCCCCCC1 2230a_100000211152_100011201679 [0,0,0,1,0,0|3,0,0]=4 11020 B13R1.1150 COCCNC1CCCCCCC1 270004a_100000209980_100000210524 [0,0,0,1,0,0|3,0,0]=4 11021 B13R1.1150 COCCNC1CCCCCCC1 34a_100000211152_100011201679 [0,0,0,1,0,0|3,0,0]=4 11022 B13R1.1150 COCCOC1C=CCCCCC1 34a_100000688657_100011201679 [0,0,0,1,0,0|3,0,0]=4 11023 B13R1.1150 COCCOC1CCCCCCC1 34a_100000210054_100011201679 [0,0,0,1,0,0|3,0,0]=4 11024 B13R1.1150 COCCOC1CCCCCCC1 7a_100000210054_100000233755 [0,0,0,1,0,0|3,0,0]=4 11025 B13R1.1150 CSCCNC1CCCCCCC1 2230a_100000211152_100000751147 [0,0,0,1,0,0|3,0,0]=4 11026 B13R1.1150 CSCCNC1CCCCCCC1 270004a_100020590264_100000210524 [0,0,0,1,0,0|3,0,0]=4 11027 B13R1.1150 CSCCNC1CCCCCCC1 34a_100000211152_100000212216 [0,0,0,1,0,0|3,0,0]=4 11028 B13R1.1150 CSCCOC1C=CCCCCC1 34a_100000688657_100000212216 [0,0,0,1,0,0|3,0,0]=4 11029 B13R1.1150 CSCCOC1CCCCCCC1 34a_100000210054_100000212216 [0,0,0,1,0,0|3,0,0]=4 11030 B13R1.1150 CSCCOC1CCCCCCC1 7a_100000210054_100000212216 [0,0,0,1,0,0|3,0,0]=4 11031 B13R1.1150 CSCOCC1CCCCCCC1 34a_100011216312_100011218213 [0,0,0,1,0,0|3,0,0]=4 11032 B13R1.1150 FCCCCN1CCCCCCC1 2230a_100000211400_100000729493 [0,0,0,1,0,0|2,0,1]=4 11033 B13R1.1150 FCCCCN1CCCCCCC1 269982a_100000211400_100000729493 [0,0,0,1,0,0|2,0,1]=4 11034 B13R1.1150 FCCCCN1CCCCCCC1 34a_100000211400_100000729493 [0,0,0,1,0,0|2,0,1]=4 11035 B13R1.1150 FCCCNC1CCCCCCC1 2230a_100000211152_100011934791 [0,0,0,1,0,0|2,0,1]=4 11036 B13R1.1150 FCCCNC1CCCCCCC1 270004a_100015189416_100000210524 [0,0,0,1,0,0|2,0,1]=4 11037 B13R1.1150 FCCCNC1CCCCCCC1 34a_100000211152_100011934791 [0,0,0,1,0,0|2,0,1]=4 11038 B13R1.1150 FCCCOC1C=CCCCCC1 34a_100000688657_100011934791 [0,0,0,1,0,0|3,0,0]=4 11039 B13R1.1150 FCCCOC1CCCCCCC1 34a_100000210054_100011934791 [0,0,0,1,0,0|2,0,1]=4 11040 B13R1.1150 FCCCOC1CCCCCCC1 7a_100000210054_100011934791 [0,0,0,1,0,0|2,0,1]=4 11041 B13R1.1150 FCCOCC1CCCCCCC1 34a_100011216312_100011217306 [0,0,0,1,0,0|2,0,1]=4 11042 B13R1.1150 FCCOCC1CCCCCCC1 7a_100011216312_100011217306 [0,0,0,1,0,0|2,0,1]=4 11043 B13R1.1150 FCNCCC1CCCCCCC1 34a_100011532352_100015361967 [0,0,0,1,0,0|2,0,1]=4 11044 B13R1.1150 N#CCCCN1CCCCCCC1 2230a_100000211400_100000687738 [0,0,0,1,0,0|2,0,1]=4 11045 B13R1.1150 N#CCCCN1CCCCCCC1 269982a_100000211400_100000687738 [0,0,0,1,0,0|2,0,1]=4 11046 B13R1.1150 N#CCCNC1CCCCCCC1 2230a_100000211152_100011215226 [0,0,0,1,0,0|2,0,1]=4 11047 B13R1.1150 N#CCCNC1CCCCCCC1 270004a_100000720768_100000210524 [0,0,0,1,0,0|2,0,1]=4 11048 B13R1.1150 N#CCCOC1CCCCCCC1 7a_100000210054_100000184422 [0,0,0,1,0,0|2,0,1]=4 11049 B13R1.1150 N#CCOCC1CCCCCCC1 7a_100011216312_100011215382 [0,0,0,1,0,0|2,0,1]=4 11050 B13R1.1150 O=CCCCN1CCCCCCC1 2230a_100000211400_200011292268 [0,0,0,1,0,0|1,0,0]=2 11051 B13R1.1150 O=CCCCN1CCCCCCC1 269982a_100000211400_200011292268 [0,0,0,1,0,0|1,0,0]=2 11052 B13R1.1150 O=CCNCC1CC/C=C\CCC1 2230a_100102730862_200015260668 [0,0,0,1,0,0|1,0,2]=4 11053 B13R1.1150 O=CCNCC1CC/C=C\CCC1 34a_100102730862_200009817547 [0,0,0,1,0,0|1,0,2]=4 11054 B13R1.1150 O=CCOCC1CCCCCCC1 34a_100011216312_200009817547 [0,0,0,1,0,0|1,0,0]=2 11055 B13R1.1150 O=CCOCC1CCCCCCC1 7a_100011216312_200015260668 [0,0,0,1,0,0|1,0,0]=2 11056 B13R1.1150 OCCCCN1CCCCCCC1 2230a_100000211400_100000210776 [0,0,0,1,0,0|1,0,2]=4 11057 B13R1.1150 OCCCCN1CCCCCCC1 269982a_100000211400_100000210776 [0,0,0,1,0,0|1,0,2]=4 11058 B13R1.1150 OCCCCN1CCCCCCC1 34a_100000211400_100011216708 [0,0,0,1,0,0|1,0,2]=4 11059 B13R1.1150 OCCCNC1CCCCCCC1 2230a_100000211152_100000230001 [0,0,0,1,0,0|1,0,2]=4 11060 B13R1.1150 OCCCNC1CCCCCCC1 270004a_100000182051_100000210524 [0,0,0,1,0,0|1,0,2]=4 11061 B13R1.1150 OCCCNC1CCCCCCC1 34a_100000211152_100000230001 [0,0,0,1,0,0|1,0,2]=4 11062 B13R1.1150 OCCCOC1C=CCCCCC1 34a_100000688657_100000230001 [0,0,0,1,0,0|3,0,0]=4 11063 B13R1.1150 OCCCOC1CCCCCCC1 34a_100000210054_100000230001 [0,0,0,1,0,0|1,0,2]=4 11064 B13R1.1150 OCCCOC1CCCCCCC1 7a_100000210054_100011215043 [0,0,0,1,0,0|1,0,2]=4 11065 B13R1.1150 OCCOCC1CCCCCCC1 34a_100011216312_100000211926 [0,0,0,1,0,0|1,0,2]=4 11066 B13R1.1150 OCCOCC1CCCCCCC1 7a_100011216312_100000211926 [0,0,0,1,0,0|1,0,2]=4 11067 B13R1.1887 BrCCCCOC1CCCCCC1 34a_100011216708_100011217769 [0,0,0,1,0,0|2,0,1]=4 11068 B13R1.1887 BrCCCOCC1CCCCCC1 34a_100011217188_200000696569 [0,0,0,1,0,0|2,0,1]=4 11069 B13R1.1887 C#CCCCCN1CCCCCC1 2230a_100000185865_100010269958 [0,0,0,1,0,0|2,0,1]=4 11070 B13R1.1887 C#CCCCCN1CCCCCC1 269982a_100000185865_100010269958 [0,0,0,1,0,0|2,0,1]=4 11071 B13R1.1887 C#CCCCCN1CCCCCC1 34a_100000185865_100010269958 [0,0,0,1,0,0|2,0,1]=4 11072 B13R1.1887 C#CCCCNC1CCCCCC1 2230a_100000210984_100000731252 [0,0,0,1,0,0|2,0,1]=4 11073 B13R1.1887 C#CCCCNC1CCCCCC1 270004a_100000718082_100000210131 [0,0,0,1,0,0|2,0,1]=4 11074 B13R1.1887 C#CCCCNC1CCCCCC1 34a_100000210984_100000695029 [0,0,0,1,0,0|2,0,1]=4 11075 B13R1.1887 C#CCCCNC1CCCCCC1 34a_100000718082_100011217769 [0,0,0,1,0,0|2,0,1]=4 11076 B13R1.1887 C#CCCCOC1CCCCCC1 34a_100000210887_100000695029 [0,0,0,1,0,0|2,0,1]=4 11077 B13R1.1887 C#CCCCOC1CCCCCC1 34a_100000215630_100011217769 [0,0,0,1,0,0|2,0,1]=4 11078 B13R1.1887 C#CCCCOC1CCCCCC1 7a_100000210887_100011215417 [0,0,0,1,0,0|2,0,1]=4 11079 B13R1.1887 C#CCCCSC1CCCCCC1 62a_100011215417_100011217769 [0,0,0,1,0,0|2,0,1]=4 11080 B13R1.1887 C#CCCCSC1CCCCCC1 62a_100011217769_100011215417 [0,0,0,1,0,0|2,0,1]=4 11081 B13R1.1887 C#CCCNCC1CCCCCC1 2230a_100015204231_100000688953 [0,0,0,1,0,0|2,0,1]=4 11082 B13R1.1887 C#CCCNCC1CCCCCC1 34a_100000755551_200000696569 [0,0,0,1,0,0|2,0,1]=4 11083 B13R1.1887 C#CCCNCC1CCCCCC1 34a_100015204231_100000688953 [0,0,0,1,0,0|2,0,1]=4 11084 B13R1.1887 C#CCCOCC1CCCCCC1 34a_100000699130_100000688953 [0,0,0,1,0,0|2,0,1]=4 11085 B13R1.1887 C#CCCOCC1CCCCCC1 34a_100011215631_200000696569 [0,0,0,1,0,0|2,0,1]=4 11086 B13R1.1887 C#CCCOCC1CCCCCC1 7a_100000699130_100000688953 [0,0,0,1,0,0|2,0,1]=4 11087 B13R1.1887 C#CCCSCC1CCCCCC1 62a_100000688953_200000696569 [0,0,0,1,0,0|2,0,1]=4 11088 B13R1.1887 C#CCCSCC1CCCCCC1 62a_200000696569_100000688953 [0,0,0,1,0,0|2,0,1]=4 11089 B13R1.1887 C#CCNCCC1CCCCCC1 2230a_100011532351_100000038162 [0,0,0,1,0,0|2,0,1]=4 11090 B13R1.1887 C#CCNCCC1CCCCCC1 34a_100011532351_100000184674 [0,0,0,1,0,0|2,0,1]=4 11091 B13R1.1887 C/C=C/CCOC1CCCCCC1 34a_100016278192_100011217769 [0,0,0,1,0,0|2,0,1]=4 11092 B13R1.1887 C/C=C/CNCC1CCCCCC1 34a_100015204231_100102629194 [0,0,0,1,0,0|2,0,1]=4 11093 B13R1.1887 C/C=C/COCC1CCCCCC1 34a_100000699130_100102629194 [0,0,0,1,0,0|2,0,1]=4 11094 B13R1.1887 C/C=C/COCC1CCCCCC1 34a_100016270725_200000696569 [0,0,0,1,0,0|2,0,1]=4 11095 B13R1.1887 C/C=C/COCC1CCCCCC1 7a_100000699130_100102629194 [0,0,0,1,0,0|2,0,1]=4 11096 B13R1.1887 C/C=C/CSCC1CCCCCC1 62a_100102629194_200000696569 [0,0,0,1,0,0|2,0,1]=4 11097 B13R1.1887 C/C=C/CSCC1CCCCCC1 62a_200000696569_100102629194 [0,0,0,1,0,0|2,0,1]=4 11098 B13R1.1887 C=CCCCCN1CCCCCC1 2230a_100000185865_100011215482 [0,0,0,1,0,0|2,0,0]=3 11099 B13R1.1887 C=CCCCCN1CCCCCC1 269982a_100000185865_100011215482 [0,0,0,1,0,0|2,0,0]=3 11100 B13R1.1887 C=CCCCCN1CCCCCC1 34a_100000185865_100011215482 [0,0,0,1,0,0|2,0,0]=3 11101 B13R1.1887 C=CCCCCN1CCCOCC1 2230a_100000685342_100011215482 [0,0,0,1,0,0|3,0,0]=4 11102 B13R1.1887 C=CCCCCN1CCCOCC1 269982a_100000685342_100011215482 [0,0,0,1,0,0|3,0,0]=4 11103 B13R1.1887 C=CCCCCN1CCCOCC1 34a_100000685342_100011215482 [0,0,0,1,0,0|3,0,0]=4 11104 B13R1.1887 C=CCCCNC1CCCCCC1 2230a_100000210984_100011713584 [0,0,0,1,0,0|2,0,0]=3 11105 B13R1.1887 C=CCCCNC1CCCCCC1 270004a_100000700776_100000210131 [0,0,0,1,0,0|2,0,0]=3 11106 B13R1.1887 C=CCCCNC1CCCCCC1 34a_100000210984_100000757094 [0,0,0,1,0,0|2,0,0]=3 11107 B13R1.1887 C=CCCCNC1CCCCCC1 34a_100000700776_100011217769 [0,0,0,1,0,0|2,0,0]=3 11108 B13R1.1887 C=CCCCNC1CCCNCC1 270004a_100000700776_100015187895 [0,0,0,1,0,0|3,0,0]=4 11109 B13R1.1887 C=CCCCOC1CCCCCC1 34a_100000210887_100000757094 [0,0,0,1,0,0|2,0,0]=3 11110 B13R1.1887 C=CCCCOC1CCCCCC1 34a_100000758997_100011217769 [0,0,0,1,0,0|2,0,0]=3 11111 B13R1.1887 C=CCCCOC1CCCCCC1 7a_100000210887_100000757094 [0,0,0,1,0,0|2,0,0]=3 11112 B13R1.1887 C=CCCCSC1CCCCCC1 62a_100011217769_100000757094 [0,0,0,1,0,0|2,0,0]=3 11113 B13R1.1887 C=CCCCSC1CCCCCC1 62a_100011713584_100011217769 [0,0,0,1,0,0|2,0,0]=3 11114 B13R1.1887 C=CCCNCC1CCCCCC1 2230a_100015191253_200000696569 [0,0,0,1,0,0|2,0,0]=3 11115 B13R1.1887 C=CCCNCC1CCCCCC1 2230a_100015204231_100000754431 [0,0,0,1,0,0|2,0,0]=3 11116 B13R1.1887 C=CCCNCC1CCCCCC1 269862a_100015191253_200000763224 [0,0,0,1,0,0|2,0,0]=3 11117 B13R1.1887 C=CCCNCC1CCCCCC1 34a_100015204231_100000754431 [0,0,0,1,0,0|2,0,0]=3 11118 B13R1.1887 C=CCCOCC1CCCCCC1 34a_100000699130_100000754431 [0,0,0,1,0,0|2,0,0]=3 11119 B13R1.1887 C=CCCOCC1CCCCCC1 34a_100011205117_200000696569 [0,0,0,1,0,0|2,0,0]=3 11120 B13R1.1887 C=CCCOCC1CCCCCC1 7a_100000699130_100000754431 [0,0,0,1,0,0|2,0,0]=3 11121 B13R1.1887 C=CCCSCC1CCCCCC1 62a_100000754431_200000696569 [0,0,0,1,0,0|2,0,0]=3 11122 B13R1.1887 C=CCCSCC1CCCCCC1 62a_200000696569_100000754431 [0,0,0,1,0,0|2,0,0]=3 11123 B13R1.1887 C=CCNCCC1CCCCCC1 2230a_100011532351_100000210623 [0,0,0,1,0,0|2,0,0]=3 11124 B13R1.1887 C=CCNCCC1CCCCCC1 34a_100011532351_100015514636 [0,0,0,1,0,0|2,0,0]=3 11125 B13R1.1887 C=CCOCCN1CCCCCC1 34a_100000238007_100015514636 [0,0,0,1,0,0|3,0,0]=4 11126 B13R1.1887 C=CCSCCN1CCCCCC1 62a_100000210623_100000722644 [0,0,0,1,0,0|3,0,0]=4 11127 B13R1.1887 C=CCSCCN1CCCCCC1 62a_100000722644_100000210623 [0,0,0,1,0,0|3,0,0]=4 11128 B13R1.1887 C=COCCNC1CCCCCC1 2230a_100000210984_100000039644 [0,0,0,1,0,0|3,0,0]=4 11129 B13R1.1887 C=COCCNC1CCCCCC1 34a_100000210984_100000039644 [0,0,0,1,0,0|3,0,0]=4 11130 B13R1.1887 C=COCCOC1CCCCCC1 34a_100000033082_100011217769 [0,0,0,1,0,0|3,0,0]=4 11131 B13R1.1887 C=COCCOC1CCCCCC1 34a_100000210887_100000039644 [0,0,0,1,0,0|3,0,0]=4 11132 B13R1.1887 C=COCCOC1CCCCCC1 7a_100000210887_100000039644 [0,0,0,1,0,0|3,0,0]=4 11133 B13R1.1887 C=COCCSC1CCCCCC1 62a_100000039644_100011217769 [0,0,0,1,0,0|3,0,0]=4 11134 B13R1.1887 C=COCCSC1CCCCCC1 62a_100011217769_100000039644 [0,0,0,1,0,0|3,0,0]=4 11135 B13R1.1887 CC=CCNCC1CCCCCC1 2230a_100015204231_100000070051 [0,0,0,1,0,0|2,0,1]=4 11136 B13R1.1887 CC=CCNCC1CCCCCC1 34a_100015204231_100000070051 [0,0,0,1,0,0|2,0,1]=4 11137 B13R1.1887 CC=CCOCC1CCCCCC1 34a_100000699130_100000070051 [0,0,0,1,0,0|2,0,1]=4 11138 B13R1.1887 CC=CCOCC1CCCCCC1 7a_100000699130_100000070051 [0,0,0,1,0,0|2,0,1]=4 11139 B13R1.1887 CC=CCSCC1CCCCCC1 62a_100000070051_200000696569 [0,0,0,1,0,0|2,0,1]=4 11140 B13R1.1887 CC=CCSCC1CCCCCC1 62a_200000696569_100000070051 [0,0,0,1,0,0|2,0,1]=4 11141 B13R1.1887 CCCCCCN1CCCCCC1 2230a_100000185865_100000210314 [0,0,0,1,0,0|2,0,1]=4 11142 B13R1.1887 CCCCCCN1CCCCCC1 269982a_100000185865_100000210757 [0,0,0,1,0,0|2,0,1]=4 11143 B13R1.1887 CCCCCCN1CCCCCC1 34a_100000185865_100000210314 [0,0,0,1,0,0|2,0,1]=4 11144 B13R1.1887 CCCCCNC1CCCCCC1 2230a_100000210984_100000210326 [0,0,0,1,0,0|2,0,1]=4 11145 B13R1.1887 CCCCCNC1CCCCCC1 270004a_100000209983_100000210131 [0,0,0,1,0,0|2,0,1]=4 11146 B13R1.1887 CCCCCNC1CCCCCC1 34a_100000210984_100000718602 [0,0,0,1,0,0|2,0,1]=4 11147 B13R1.1887 CCCCCOC1CCCCCC1 34a_100000210253_100011217769 [0,0,0,1,0,0|2,0,1]=4 11148 B13R1.1887 CCCCCOC1CCCCCC1 34a_100000210887_100000718602 [0,0,0,1,0,0|2,0,1]=4 11149 B13R1.1887 CCCCCOC1CCCCCC1 7a_100000210887_100000210326 [0,0,0,1,0,0|2,0,1]=4 11150 B13R1.1887 CCCCCSC1CCCCCC1 62a_100000210326_100011217769 [0,0,0,1,0,0|2,0,1]=4 11151 B13R1.1887 CCCCCSC1CCCCCC1 62a_100011217769_100000210326 [0,0,0,1,0,0|2,0,1]=4 11152 B13R1.1887 CCCCNCC1CCCCCC1 2230a_100000102301_200000696569 [0,0,0,1,0,0|2,0,1]=4 11153 B13R1.1887 CCCCNCC1CCCCCC1 2230a_100015204231_100000210211 [0,0,0,1,0,0|2,0,1]=4 11154 B13R1.1887 CCCCNCC1CCCCCC1 269862a_100000102301_200000763224 [0,0,0,1,0,0|2,0,1]=4 11155 B13R1.1887 CCCCNCC1CCCCCC1 34a_100015204231_100000210210 [0,0,0,1,0,0|2,0,1]=4 11156 B13R1.1887 CCCCNCC1CCCCCC1 7a_106832991798_200000696569 [0,0,0,1,0,0|2,0,1]=4 11157 B13R1.1887 CCCCOCC1CCCCCC1 34a_100000210227_200000696569 [0,0,0,1,0,0|2,0,1]=4 11158 B13R1.1887 CCCCOCC1CCCCCC1 34a_100000699130_100000210210 [0,0,0,1,0,0|2,0,1]=4 11159 B13R1.1887 CCCCOCC1CCCCCC1 7a_100000210227_200000696569 [0,0,0,1,0,0|2,0,1]=4 11160 B13R1.1887 CCCCOCC1CCCCCC1 7a_100000699130_100000210211 [0,0,0,1,0,0|2,0,1]=4 11161 B13R1.1887 CCCCSCC1CCCCCC1 62a_100000210211_200000696569 [0,0,0,1,0,0|2,0,1]=4 11162 B13R1.1887 CCCCSCC1CCCCCC1 62a_200000696569_100000210210 [0,0,0,1,0,0|2,0,1]=4 11163 B13R1.1887 CCCNCCC1CCCCCC1 2230a_100011532351_100000210303 [0,0,0,1,0,0|2,0,1]=4 11164 B13R1.1887 CCCNCCC1CCCCCC1 34a_100011532351_100000210303 [0,0,0,1,0,0|2,0,1]=4 11165 B13R1.1887 CNCCCOC1CCCCCC1 34a_100000213112_100011217769 [0,0,0,1,0,0|3,0,0]=4 11166 B13R1.1887 COCCCCN1CCCCCC1 2230a_100000185865_100000730899 [0,0,0,1,0,0|3,0,0]=4 11167 B13R1.1887 COCCCCN1CCCCCC1 269982a_100000185865_100000730899 [0,0,0,1,0,0|3,0,0]=4 11168 B13R1.1887 COCCCCN1CCCCCC1 34a_100000185865_100000755781 [0,0,0,1,0,0|3,0,0]=4 11169 B13R1.1887 COCCCCN1CCCCCC1 34a_100011305542_200000210301 [0,0,0,1,0,0|3,0,0]=4 11170 B13R1.1887 COCCCNC1CCCCCC1 2230a_100000210984_100000740836 [0,0,0,1,0,0|3,0,0]=4 11171 B13R1.1887 COCCCNC1CCCCCC1 270004a_100150723488_100000210131 [0,0,0,1,0,0|3,0,0]=4 11172 B13R1.1887 COCCCNC1CCCCCC1 34a_100000210984_100000740836 [0,0,0,1,0,0|3,0,0]=4 11173 B13R1.1887 COCCCNC1CCCCCC1 34a_100150723488_100011217769 [0,0,0,1,0,0|3,0,0]=4 11174 B13R1.1887 COCCCOC1CCCCCC1 34a_100000210887_100000740836 [0,0,0,1,0,0|3,0,0]=4 11175 B13R1.1887 COCCCOC1CCCCCC1 34a_100000740835_100011217769 [0,0,0,1,0,0|3,0,0]=4 11176 B13R1.1887 COCCCOC1CCCCCC1 7a_100000210887_100000740836 [0,0,0,1,0,0|3,0,0]=4 11177 B13R1.1887 COCCCSC1CCCCCC1 62a_100000709357_100011217769 [0,0,0,1,0,0|3,0,0]=4 11178 B13R1.1887 COCCCSC1CCCCCC1 62a_100011217769_100000709357 [0,0,0,1,0,0|3,0,0]=4 11179 B13R1.1887 COCCNCC1CCCCCC1 2230a_100000209980_200000696569 [0,0,0,1,0,0|3,0,0]=4 11180 B13R1.1887 COCCNCC1CCCCCC1 2230a_100015204231_100011201679 [0,0,0,1,0,0|3,0,0]=4 11181 B13R1.1887 COCCNCC1CCCCCC1 269862a_100000209980_200000763224 [0,0,0,1,0,0|3,0,0]=4 11182 B13R1.1887 COCCNCC1CCCCCC1 34a_100015204231_100011201679 [0,0,0,1,0,0|3,0,0]=4 11183 B13R1.1887 COCCOCC1CCCCCC1 34a_100000210237_200000696569 [0,0,0,1,0,0|3,0,0]=4 11184 B13R1.1887 COCCOCC1CCCCCC1 34a_100000699130_100011201679 [0,0,0,1,0,0|3,0,0]=4 11185 B13R1.1887 COCCOCC1CCCCCC1 7a_100000699130_100000233755 [0,0,0,1,0,0|3,0,0]=4 11186 B13R1.1887 COCCSCC1CCCCCC1 62a_100000233755_200000696569 [0,0,0,1,0,0|3,0,0]=4 11187 B13R1.1887 COCCSCC1CCCCCC1 62a_200000696569_100000233755 [0,0,0,1,0,0|3,0,0]=4 11188 B13R1.1887 COCNCCC1CCCCCC1 2230a_100011532351_100000766300 [0,0,0,1,0,0|3,0,0]=4 11189 B13R1.1887 CSCCCNC1CCCCCC1 270004a_100000749238_100000210131 [0,0,0,1,0,0|3,0,0]=4 11190 B13R1.1887 CSCCCOC1CCCCCC1 34a_100000690336_100011217769 [0,0,0,1,0,0|3,0,0]=4 11191 B13R1.1887 CSCCNCC1CCCCCC1 2230a_100015204231_100000751147 [0,0,0,1,0,0|3,0,0]=4 11192 B13R1.1887 CSCCNCC1CCCCCC1 2230a_100020590264_200000696569 [0,0,0,1,0,0|3,0,0]=4 11193 B13R1.1887 CSCCNCC1CCCCCC1 269862a_100020590264_200000763224 [0,0,0,1,0,0|3,0,0]=4 11194 B13R1.1887 CSCCNCC1CCCCCC1 34a_100015204231_100000212216 [0,0,0,1,0,0|3,0,0]=4 11195 B13R1.1887 CSCCOCC1CCCCCC1 34a_100000230434_200000696569 [0,0,0,1,0,0|3,0,0]=4 11196 B13R1.1887 CSCCOCC1CCCCCC1 34a_100000699130_100000212216 [0,0,0,1,0,0|3,0,0]=4 11197 B13R1.1887 CSCCOCC1CCCCCC1 7a_100000230434_200000696569 [0,0,0,1,0,0|3,0,0]=4 11198 B13R1.1887 CSCCOCC1CCCCCC1 7a_100000699130_100000212216 [0,0,0,1,0,0|3,0,0]=4 11199 B13R1.1887 CSCCSCC1CCCCCC1 62a_100000212216_200000696569 [0,0,0,1,0,0|3,0,0]=4 11200 B13R1.1887 CSCCSCC1CCCCCC1 62a_200000696569_100000751147 [0,0,0,1,0,0|3,0,0]=4 11201 B13R1.1887 CSCNCCC1CCCCCC1 2230a_100011532351_100011218213 [0,0,0,1,0,0|3,0,0]=4 11202 B13R1.1887 CSCNCCC1CCCCCC1 34a_100011532351_100011218213 [0,0,0,1,0,0|3,0,0]=4 11203 B13R1.1887 ClCCCCOC1CCCCCC1 34a_100000210776_100011217769 [0,0,0,1,0,0|2,0,1]=4 11204 B13R1.1887 ClCCCOCC1CCCCCC1 34a_100000230001_200000696569 [0,0,0,1,0,0|2,0,1]=4 11205 B13R1.1887 FCCCCCN1CCCCCC1 2230a_100000185865_100000729378 [0,0,0,1,0,0|2,0,1]=4 11206 B13R1.1887 FCCCCCN1CCCCCC1 269982a_100000185865_100000729378 [0,0,0,1,0,0|2,0,1]=4 11207 B13R1.1887 FCCCCCN1CCCCCC1 34a_100000185865_100000729378 [0,0,0,1,0,0|2,0,1]=4 11208 B13R1.1887 FCCCCNC1CCCCCC1 2230a_100000210984_100000729493 [0,0,0,1,0,0|2,0,1]=4 11209 B13R1.1887 FCCCCNC1CCCCCC1 34a_100000210984_100000729493 [0,0,0,1,0,0|2,0,1]=4 11210 B13R1.1887 FCCCCOC1CCCCCC1 34a_100000210887_100000729493 [0,0,0,1,0,0|2,0,1]=4 11211 B13R1.1887 FCCCCOC1CCCCCC1 34a_100011995726_100011217769 [0,0,0,1,0,0|2,0,1]=4 11212 B13R1.1887 FCCCCOC1CCCCCC1 7a_100000210887_100000729493 [0,0,0,1,0,0|2,0,1]=4 11213 B13R1.1887 FCCCCSC1CCCCCC1 62a_100000729493_100011217769 [0,0,0,1,0,0|2,0,1]=4 11214 B13R1.1887 FCCCCSC1CCCCCC1 62a_100011217769_100000729493 [0,0,0,1,0,0|2,0,1]=4 11215 B13R1.1887 FCCCNCC1CCCCCC1 2230a_100015189416_200000696569 [0,0,0,1,0,0|2,0,1]=4 11216 B13R1.1887 FCCCNCC1CCCCCC1 2230a_100015204231_100011934791 [0,0,0,1,0,0|2,0,1]=4 11217 B13R1.1887 FCCCNCC1CCCCCC1 269862a_100015189416_200000763224 [0,0,0,1,0,0|2,0,1]=4 11218 B13R1.1887 FCCCNCC1CCCCCC1 34a_100015189416_200000696569 [0,0,0,1,0,0|2,0,1]=4 11219 B13R1.1887 FCCCNCC1CCCCCC1 34a_100015204231_100011934791 [0,0,0,1,0,0|2,0,1]=4 11220 B13R1.1887 FCCCOCC1CCCCCC1 34a_100000699130_100011934791 [0,0,0,1,0,0|2,0,1]=4 11221 B13R1.1887 FCCCOCC1CCCCCC1 34a_100000759539_200000696569 [0,0,0,1,0,0|2,0,1]=4 11222 B13R1.1887 FCCCOCC1CCCCCC1 7a_100000699130_100011934791 [0,0,0,1,0,0|2,0,1]=4 11223 B13R1.1887 FCCCSCC1CCCCCC1 62a_100011934791_200000696569 [0,0,0,1,0,0|2,0,1]=4 11224 B13R1.1887 FCCCSCC1CCCCCC1 62a_200000696569_100011934791 [0,0,0,1,0,0|2,0,1]=4 11225 B13R1.1887 FCCNCCC1CCCCCC1 2230a_100011532351_100011217306 [0,0,0,1,0,0|2,0,1]=4 11226 B13R1.1887 FCCNCCC1CCCCCC1 34a_100011532351_100011217306 [0,0,0,1,0,0|2,0,1]=4 11227 B13R1.1887 ICCCCOC1CCCCCC1 34a_200012148704_100011217769 [0,0,0,1,0,0|2,0,1]=4 11228 B13R1.1887 N#CCCCCN1CCCCCC1 2230a_100000185865_100000211819 [0,0,0,1,0,0|2,0,1]=4 11229 B13R1.1887 N#CCCCCN1CCCCCC1 269982a_100000185865_100011219923 [0,0,0,1,0,0|2,0,1]=4 11230 B13R1.1887 N#CCCCNC1CCCCCC1 2230a_100000210984_100000687738 [0,0,0,1,0,0|2,0,1]=4 11231 B13R1.1887 N#CCCCOC1CCCCCC1 7a_100000210887_100000687738 [0,0,0,1,0,0|2,0,1]=4 11232 B13R1.1887 N#CCCCSC1CCCCCC1 62a_100000687738_100011217769 [0,0,0,1,0,0|2,0,1]=4 11233 B13R1.1887 N#CCCCSC1CCCCCC1 62a_100011217769_100000687738 [0,0,0,1,0,0|2,0,1]=4 11234 B13R1.1887 N#CCCNCC1CCCCCC1 2230a_100015204231_100011215226 [0,0,0,1,0,0|2,0,1]=4 11235 B13R1.1887 N#CCCOCC1CCCCCC1 7a_100000699130_100000184422 [0,0,0,1,0,0|2,0,1]=4 11236 B13R1.1887 N#CCCSCC1CCCCCC1 62a_100011215226_200000696569 [0,0,0,1,0,0|2,0,1]=4 11237 B13R1.1887 N#CCCSCC1CCCCCC1 62a_200000696569_100011215226 [0,0,0,1,0,0|2,0,1]=4 11238 B13R1.1887 N#CCNCCC1CCCCCC1 2230a_100011532351_100011215382 [0,0,0,1,0,0|2,0,1]=4 11239 B13R1.1887 NCCCCOC1CCCCCC1 34a_100000750430_100011217769 [0,0,0,1,0,0|2,0,1]=4 11240 B13R1.1887 NCCCOCC1CCCCCC1 34a_100000182051_200000696569 [0,0,0,1,0,0|2,0,1]=4 11241 B13R1.1887 NOCCOCC1CCCCCC1 34a_100000700252_200000696569 [0,0,0,1,0,0|3,0,0]=4 11242 B13R1.1887 O=CCCCCN1CCCCCC1 2230a_100000185865_100000139335 [0,0,0,1,0,0|1,0,0]=2 11243 B13R1.1887 O=CCCCCN1CCCCCC1 269982a_100000185865_100000139335 [0,0,0,1,0,0|1,0,0]=2 11244 B13R1.1887 O=CCCCCN1CCCOCC1 2230a_100000685342_100000139335 [0,0,0,1,0,0|2,0,0]=3 11245 B13R1.1887 O=CCCCCN1CCCOCC1 269982a_100000685342_100000139335 [0,0,0,1,0,0|2,0,0]=3 11246 B13R1.1887 O=CCCCNC1CCCCCC1 2230a_100000210984_200011292268 [0,0,0,1,0,0|1,0,0]=2 11247 B13R1.1887 O=CCCCOC1CCCCCC1 7a_100000210887_200011292268 [0,0,0,1,0,0|1,0,0]=2 11248 B13R1.1887 O=CCCCSC1CCCCCC1 62a_100011217769_200011292268 [0,0,0,1,0,0|1,0,0]=2 11249 B13R1.1887 O=CCCCSC1CCCCCC1 62a_200011292268_100011217769 [0,0,0,1,0,0|1,0,0]=2 11250 B13R1.1887 O=CCNCCC1CCCCCC1 2230a_100011532351_200015260668 [0,0,0,1,0,0|1,0,0]=2 11251 B13R1.1887 O=CCNCCC1CCCCCC1 34a_100011532351_200009817547 [0,0,0,1,0,0|1,0,0]=2 11252 B13R1.1887 O=CCOCCN1CCCCCC1 34a_100000238007_200009817547 [0,0,0,1,0,0|2,0,0]=3 11253 B13R1.1887 O=CCSCCN1CCCCCC1 62a_100000722644_200015260668 [0,0,0,1,0,0|2,0,0]=3 11254 B13R1.1887 O=CCSCCN1CCCCCC1 62a_200015260668_100000722644 [0,0,0,1,0,0|2,0,0]=3 11255 B13R1.1887 OCCCCCN1CCCCCC1 2230a_100000185865_100000746330 [0,0,0,1,0,0|1,0,2]=4 11256 B13R1.1887 OCCCCCN1CCCCCC1 269982a_100000185865_100000746330 [0,0,0,1,0,0|1,0,2]=4 11257 B13R1.1887 OCCCCCN1CCCCCC1 34a_100000185865_100000746330 [0,0,0,1,0,0|1,0,2]=4 11258 B13R1.1887 OCCCCNC1CCCCCC1 2230a_100000210984_100000210776 [0,0,0,1,0,0|1,0,2]=4 11259 B13R1.1887 OCCCCNC1CCCCCC1 270004a_100000750430_100000210131 [0,0,0,1,0,0|1,0,2]=4 11260 B13R1.1887 OCCCCNC1CCCCCC1 34a_100000210984_100011216708 [0,0,0,1,0,0|1,0,2]=4 11261 B13R1.1887 OCCCCNC1CCCCCC1 34a_100000750430_100011217769 [0,0,0,1,0,0|1,0,2]=4 11262 B13R1.1887 OCCCCOC1CCCCCC1 34a_100000210887_100011216708 [0,0,0,1,0,0|1,0,2]=4 11263 B13R1.1887 OCCCCOC1CCCCCC1 7a_100000210887_100000210776 [0,0,0,1,0,0|1,0,2]=4 11264 B13R1.1887 OCCCCSC1CCCCCC1 62a_100000210776_100011217769 [0,0,0,1,0,0|1,0,2]=4 11265 B13R1.1887 OCCCCSC1CCCCCC1 62a_100011217769_100000210776 [0,0,0,1,0,0|1,0,2]=4 11266 B13R1.1887 OCCCNCC1CCCCCC1 2230a_100015204231_100000230001 [0,0,0,1,0,0|1,0,2]=4 11267 B13R1.1887 OCCCNCC1CCCCCC1 269862a_100000182051_200000763224 [0,0,0,1,0,0|1,0,2]=4 11268 B13R1.1887 OCCCNCC1CCCCCC1 34a_100015204231_100000230001 [0,0,0,1,0,0|1,0,2]=4 11269 B13R1.1887 OCCCOCC1CCCCCC1 34a_100000699130_100000230001 [0,0,0,1,0,0|1,0,2]=4 11270 B13R1.1887 OCCCOCC1CCCCCC1 7a_100000699130_100011215043 [0,0,0,1,0,0|1,0,2]=4 11271 B13R1.1887 OCCCSCC1CCCCCC1 62a_100011215043_200000696569 [0,0,0,1,0,0|1,0,2]=4 11272 B13R1.1887 OCCCSCC1CCCCCC1 62a_200000696569_100011215043 [0,0,0,1,0,0|1,0,2]=4 11273 B13R1.1887 OCCNCCC1CCCCCC1 2230a_100011532351_100000211926 [0,0,0,1,0,0|1,0,2]=4 11274 B13R1.1887 OCCNCCC1CCCCCC1 34a_100011532351_100000211926 [0,0,0,1,0,0|1,0,2]=4 11275 B13R1.1887 [13CH3]OCCCCN1CCCCCC1 34a_100011305542_200025704644 [0,0,0,1,0,0|3,0,0]=4 11276 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [2,0,0,0,0,0|1,0,1]=4 11277 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [2,0,0,0,0,0|1,0,1]=4 11278 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [2,0,0,0,0,0|1,0,1]=4 11279 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [2,0,0,0,0,0|1,0,1]=4 11280 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [2,0,0,0,0,0|1,0,1]=4 11281 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [2,0,0,0,0,0|1,0,1]=4 11282 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [2,0,0,0,0,0|1,0,1]=4 11283 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [2,0,0,0,0,0|1,0,1]=4 11284 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [2,0,0,0,0,0|1,0,1]=4 11285 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [2,0,0,0,0,0|1,0,1]=4 11286 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [2,0,0,0,0,0|1,0,1]=4 11287 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [2,0,0,0,0,0|1,0,1]=4 11288 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [2,0,0,0,0,0|1,0,1]=4 11289 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [2,0,0,0,0,0|1,0,1]=4 11290 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [2,0,0,0,0,0|1,0,1]=4 11291 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [2,0,0,0,0,0|1,0,1]=4 11292 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [2,0,0,0,0,0|1,0,1]=4 11293 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [2,0,0,0,0,0|1,0,1]=4 11294 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [2,0,0,0,0,0|1,0,1]=4 11295 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [2,0,0,0,0,0|1,0,1]=4 11296 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [2,0,0,0,0,0|1,0,1]=4 11297 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [2,0,0,0,0,0|1,0,1]=4 11298 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [2,0,0,0,0,0|1,0,1]=4 11299 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [2,0,0,0,0,0|1,0,1]=4 11300 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [2,0,0,0,0,0|1,0,1]=4 11301 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [2,0,0,0,0,0|1,0,1]=4 11302 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [2,0,0,0,0,0|1,0,1]=4 11303 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [2,0,0,0,0,0|1,0,1]=4 11304 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [2,0,0,0,0,0|1,0,1]=4 11305 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [2,0,0,0,0,0|1,0,1]=4 11306 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [2,0,0,0,0,0|1,0,1]=4 11307 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [2,0,0,0,0,0|1,0,1]=4 11308 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [2,0,0,0,0,0|1,0,1]=4 11309 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [2,0,0,0,0,0|1,0,1]=4 11310 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [2,0,0,0,0,0|1,0,1]=4 11311 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [2,0,0,0,0,0|1,0,1]=4 11312 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [2,0,0,0,0,0|1,0,1]=4 11313 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [2,0,0,0,0,0|1,0,1]=4 11314 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [2,0,0,0,0,0|1,0,1]=4 11315 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [2,0,0,0,0,0|1,0,1]=4 11316 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [2,0,0,0,0,0|1,0,1]=4 11317 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [2,0,0,0,0,0|1,0,1]=4 11318 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [2,0,0,0,0,0|1,0,1]=4 11319 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [2,0,0,0,0,0|1,0,1]=4 11320 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [2,0,0,0,0,0|1,0,1]=4 11321 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [2,0,0,0,0,0|1,0,1]=4 11322 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [2,0,0,0,0,0|1,0,1]=4 11323 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [2,0,0,0,0,0|1,0,1]=4 11324 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [2,0,0,0,0,0|1,0,1]=4 11325 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [2,0,0,0,0,0|1,0,1]=4 11326 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [2,0,0,0,0,0|1,0,1]=4 11327 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [2,0,0,0,0,0|1,0,1]=4 11328 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [2,0,0,0,0,0|1,0,1]=4 11329 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [2,0,0,0,0,0|1,0,1]=4 11330 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [2,0,0,0,0,0|1,0,1]=4 11331 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [2,0,0,0,0,0|1,0,1]=4 11332 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [2,0,0,0,0,0|1,0,0]=3 11333 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [2,0,0,0,0,0|1,0,0]=3 11334 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [2,0,0,0,0,0|1,0,0]=3 11335 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [2,0,0,0,0,0|1,0,0]=3 11336 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [2,0,0,0,0,0|1,0,0]=3 11337 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [2,0,0,0,0,0|1,0,0]=3 11338 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [2,0,0,0,0,0|1,0,0]=3 11339 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [2,0,0,0,0,0|1,0,0]=3 11340 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [2,0,0,0,0,0|1,0,0]=3 11341 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [2,0,0,0,0,0|1,0,0]=3 11342 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [2,0,0,0,0,0|1,0,0]=3 11343 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [2,0,0,0,0,0|1,0,0]=3 11344 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [2,0,0,0,0,0|1,0,0]=3 11345 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [2,0,0,0,0,0|1,0,0]=3 11346 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [2,0,0,0,0,0|1,0,0]=3 11347 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [2,0,0,0,0,0|1,0,0]=3 11348 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [2,0,0,0,0,0|1,0,0]=3 11349 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [2,0,0,0,0,0|2,0,0]=4 11350 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [2,0,0,0,0,0|1,0,0]=3 11351 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [2,0,0,0,0,0|1,0,0]=3 11352 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [2,0,0,0,0,0|1,0,0]=3 11353 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [2,0,0,0,0,0|2,0,0]=4 11354 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [2,0,0,0,0,0|2,0,0]=4 11355 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [2,0,0,0,0,0|1,0,0]=3 11356 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [2,0,0,0,0,0|1,0,0]=3 11357 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [2,0,0,0,0,0|2,0,0]=4 11358 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [2,0,0,0,0,0|2,0,0]=4 11359 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [2,0,0,0,0,0|1,0,0]=3 11360 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [2,0,0,0,0,0|1,0,0]=3 11361 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [2,0,0,0,0,0|2,0,0]=4 11362 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [2,0,0,0,0,0|2,0,0]=4 11363 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [2,0,0,0,0,0|1,0,1]=4 11364 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [2,0,0,0,0,0|1,0,1]=4 11365 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [2,0,0,0,0,0|1,0,1]=4 11366 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [2,0,0,0,0,0|2,0,0]=4 11367 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [2,0,0,0,0,0|2,0,0]=4 11368 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [2,0,0,0,0,0|1,0,0]=3 11369 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [2,0,0,0,0,0|1,0,0]=3 11370 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [2,0,0,0,0,0|2,0,0]=4 11371 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [2,0,0,0,0,0|1,0,0]=3 11372 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [2,0,0,0,0,0|1,0,0]=3 11373 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [2,0,0,0,0,0|1,0,0]=3 11374 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [2,0,0,0,0,0|2,0,0]=4 11375 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [2,0,0,0,0,0|2,0,0]=4 11376 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [2,0,0,0,0,0|2,0,0]=4 11377 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [2,0,0,0,0,0|1,0,1]=4 11378 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [2,0,0,0,0,0|1,0,1]=4 11379 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [2,0,0,0,0,0|2,0,0]=4 11380 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [2,0,0,0,0,0|1,0,0]=3 11381 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [2,0,0,0,0,0|1,0,0]=3 11382 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [2,0,0,0,0,0|1,0,0]=3 11383 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [2,0,0,0,0,0|1,0,0]=3 11384 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [2,0,0,0,0,0|2,0,0]=4 11385 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [2,0,0,0,0,0|2,0,0]=4 11386 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [2,0,0,0,0,0|1,0,1]=4 11387 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [2,0,0,0,0,0|1,0,1]=4 11388 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [2,0,0,0,0,0|2,0,0]=4 11389 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [2,0,0,0,0,0|2,0,0]=4 11390 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [2,0,0,0,0,0|2,0,0]=4 11391 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [2,0,0,0,0,0|2,0,0]=4 11392 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [2,0,0,0,0,0|1,0,0]=3 11393 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [2,0,0,0,0,0|1,0,0]=3 11394 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [2,0,0,0,0,0|1,0,0]=3 11395 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [2,0,0,0,0,0|2,0,0]=4 11396 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [2,0,0,0,0,0|2,0,0]=4 11397 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [2,0,0,0,0,0|2,0,0]=4 11398 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [2,0,0,0,0,0|1,0,1]=4 11399 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [2,0,0,0,0,0|2,0,0]=4 11400 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [2,0,0,0,0,0|2,0,0]=4 11401 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [2,0,0,0,0,0|2,0,0]=4 11402 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [2,0,0,0,0,0|2,0,0]=4 11403 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [2,0,0,0,0,0|2,0,0]=4 11404 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [2,0,0,0,0,0|1,0,0]=3 11405 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [2,0,0,0,0,0|1,0,0]=3 11406 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [2,0,0,0,0,0|1,0,0]=3 11407 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [2,0,0,0,0,0|1,0,0]=3 11408 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [2,0,0,0,0,0|2,0,0]=4 11409 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [2,0,0,0,0,0|2,0,0]=4 11410 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [2,0,0,0,0,0|2,0,0]=4 11411 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [2,0,0,0,0,0|2,0,0]=4 11412 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [2,0,0,0,0,0|2,0,0]=4 11413 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [2,0,0,0,0,0|1,0,1]=4 11414 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [2,0,0,0,0,0|1,0,1]=4 11415 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [2,0,0,0,0,0|2,0,0]=4 11416 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [2,0,0,0,0,0|2,0,0]=4 11417 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [2,0,0,0,0,0|2,0,0]=4 11418 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [2,0,0,0,0,0|2,0,0]=4 11419 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [2,0,0,0,0,0|2,0,0]=4 11420 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [2,0,0,0,0,0|2,0,0]=4 11421 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [2,0,0,0,0,0|2,0,0]=4 11422 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [2,0,0,0,0,0|2,0,0]=4 11423 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [2,0,0,0,0,0|2,0,0]=4 11424 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [2,0,0,0,0,0|2,0,0]=4 11425 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [2,0,0,0,0,0|2,0,0]=4 11426 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [2,0,0,0,0,0|1,0,0]=3 11427 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [2,0,0,0,0,0|1,0,0]=3 11428 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [2,0,0,0,0,0|2,0,0]=4 11429 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [2,0,0,0,0,0|2,0,0]=4 11430 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [2,0,0,0,0,0|1,0,1]=4 11431 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [2,0,0,0,0,0|1,0,1]=4 11432 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [2,0,0,0,0,0|2,0,0]=4 11433 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [2,0,0,0,0,0|2,0,0]=4 11434 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [2,0,0,0,0,0|2,0,0]=4 11435 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [2,0,0,0,0,0|2,0,0]=4 11436 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [2,0,0,0,0,0|2,0,0]=4 11437 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [2,0,0,0,0,0|2,0,0]=4 11438 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [2,0,0,0,0,0|1,0,0]=3 11439 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [2,0,0,0,0,0|1,0,0]=3 11440 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [2,0,0,0,0,0|2,0,0]=4 11441 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [2,0,0,0,0,0|1,0,1]=4 11442 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [2,0,0,0,0,0|1,0,1]=4 11443 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [2,0,0,0,0,0|1,0,1]=4 11444 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [2,0,0,0,0,0|2,0,0]=4 11445 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [2,0,0,0,0,0|2,0,0]=4 11446 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [2,0,0,0,0,0|2,0,0]=4 11447 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [2,0,0,0,0,0|2,0,0]=4 11448 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [2,0,0,0,0,0|2,0,0]=4 11449 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [2,0,0,0,0,0|2,0,0]=4 11450 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [2,0,0,0,0,0|2,0,0]=4 11451 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [2,0,0,0,0,0|2,0,0]=4 11452 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [2,0,0,0,0,0|2,0,0]=4 11453 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [2,0,0,0,0,0|1,0,0]=3 11454 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [2,0,0,0,0,0|2,0,0]=4 11455 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [2,0,0,0,0,0|1,0,0]=3 11456 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [2,0,0,0,0,0|1,0,0]=3 11457 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [2,0,0,0,0,0|2,0,0]=4 11458 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [2,0,0,0,0,0|2,0,0]=4 11459 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [2,0,0,0,0,0|2,0,0]=4 11460 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [2,0,0,0,0,0|2,0,0]=4 11461 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [2,0,0,0,0,0|2,0,0]=4 11462 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [2,0,0,0,0,0|2,0,0]=4 11463 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [2,0,0,0,0,0|2,0,0]=4 11464 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [2,0,0,0,0,0|2,0,0]=4 11465 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [2,0,0,0,0,0|1,0,1]=4 11466 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [2,0,0,0,0,0|1,0,1]=4 11467 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [2,0,0,0,0,0|2,0,0]=4 11468 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [2,0,0,0,0,0|2,0,0]=4 11469 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [2,0,0,0,0,0|2,0,0]=4 11470 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [2,0,0,0,0,0|2,0,0]=4 11471 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [2,0,0,0,0,0|2,0,0]=4 11472 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [2,0,0,0,0,0|2,0,0]=4 11473 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [2,0,0,0,0,0|2,0,0]=4 11474 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [2,0,0,0,0,0|2,0,0]=4 11475 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [2,0,0,0,0,0|2,0,0]=4 11476 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [2,0,0,0,0,0|2,0,0]=4 11477 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [2,0,0,0,0,0|2,0,0]=4 11478 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [2,0,0,0,0,0|2,0,0]=4 11479 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [2,0,0,0,0,0|2,0,0]=4 11480 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [2,0,0,0,0,0|2,0,0]=4 11481 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [2,0,0,0,0,0|2,0,0]=4 11482 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [2,0,0,0,0,0|2,0,0]=4 11483 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [2,0,0,0,0,0|1,0,0]=3 11484 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [2,0,0,0,0,0|1,0,0]=3 11485 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [2,0,0,0,0,0|1,0,0]=3 11486 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [2,0,0,0,0,0|2,0,0]=4 11487 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [2,0,0,0,0,0|2,0,0]=4 11488 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [2,0,0,0,0,0|1,0,1]=4 11489 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [2,0,0,0,0,0|1,0,1]=4 11490 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [2,0,0,0,0,0|2,0,0]=4 11491 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [2,0,0,0,0,0|2,0,0]=4 11492 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [2,0,0,0,0,0|2,0,0]=4 11493 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [2,0,0,0,0,0|2,0,0]=4 11494 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [2,0,0,0,0,0|2,0,0]=4 11495 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [2,0,0,0,0,0|2,0,0]=4 11496 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [2,0,0,0,0,0|1,0,0]=3 11497 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [2,0,0,0,0,0|1,0,0]=3 11498 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [2,0,0,0,0,0|2,0,0]=4 11499 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [2,0,0,0,0,0|2,0,0]=4 11500 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [2,0,0,0,0,0|1,0,1]=4 11501 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [2,0,0,0,0,0|1,0,1]=4 11502 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [2,0,0,0,0,0|1,0,1]=4 11503 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [2,0,0,0,0,0|1,0,1]=4 11504 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [2,0,0,0,0,0|2,0,0]=4 11505 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [2,0,0,0,0,0|2,0,0]=4 11506 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [2,0,0,0,0,0|2,0,0]=4 11507 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [2,0,0,0,0,0|2,0,0]=4 11508 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [2,0,0,0,0,0|2,0,0]=4 11509 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [2,0,0,0,0,0|2,0,0]=4 11510 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [2,0,0,0,0,0|2,0,0]=4 11511 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [2,0,0,0,0,0|2,0,0]=4 11512 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [2,0,0,0,0,0|2,0,0]=4 11513 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [2,0,0,0,0,0|2,0,0]=4 11514 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [2,0,0,0,0,0|2,0,0]=4 11515 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [2,0,0,0,0,0|2,0,0]=4 11516 B10R0.71 CCCCNCCSCCC 2230a_100020603323_100000210211 [2,0,0,0,0,0|2,0,0]=4 11517 B10R0.71 CCCCNCOCCCC 2230a_100000102301_100011995733 [2,0,0,0,0,0|2,0,0]=4 11518 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [2,0,0,0,0,0|1,0,0]=3 11519 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [2,0,0,0,0,0|2,0,0]=4 11520 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [2,0,0,0,0,0|2,0,0]=4 11521 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [2,0,0,0,0,0|2,0,0]=4 11522 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [2,0,0,0,0,0|2,0,0]=4 11523 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [2,0,0,0,0,0|2,0,0]=4 11524 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [2,0,0,0,0,0|2,0,0]=4 11525 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [2,0,0,0,0,0|2,0,0]=4 11526 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [2,0,0,0,0,0|2,0,0]=4 11527 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [2,0,0,0,0,0|2,0,0]=4 11528 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [2,0,0,0,0,0|1,0,1]=4 11529 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [2,0,0,0,0,0|1,0,1]=4 11530 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [2,0,0,0,0,0|2,0,0]=4 11531 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [2,0,0,0,0,0|2,0,0]=4 11532 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [2,0,0,0,0,0|2,0,0]=4 11533 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [2,0,0,0,0,0|2,0,0]=4 11534 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [2,0,0,0,0,0|2,0,0]=4 11535 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [2,0,0,0,0,0|2,0,0]=4 11536 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [2,0,0,0,0,0|2,0,0]=4 11537 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [2,0,0,0,0,0|2,0,0]=4 11538 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [2,0,0,0,0,0|2,0,0]=4 11539 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [2,0,0,0,0,0|2,0,0]=4 11540 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [2,0,0,0,0,0|2,0,0]=4 11541 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [2,0,0,0,0,0|2,0,0]=4 11542 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [2,0,0,0,0,0|2,0,0]=4 11543 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [2,0,0,0,0,0|2,0,0]=4 11544 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [2,0,0,0,0,0|2,0,0]=4 11545 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [2,0,0,0,0,0|2,0,0]=4 11546 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [2,0,0,0,0,0|2,0,0]=4 11547 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [2,0,0,0,0,0|2,0,0]=4 11548 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [2,0,0,0,0,0|2,0,0]=4 11549 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [2,0,0,0,0,0|2,0,0]=4 11550 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [2,0,0,0,0,0|2,0,0]=4 11551 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [2,0,0,0,0,0|2,0,0]=4 11552 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [2,0,0,0,0,0|2,0,0]=4 11553 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [2,0,0,0,0,0|2,0,0]=4 11554 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [2,0,0,0,0,0|2,0,0]=4 11555 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [2,0,0,0,0,0|2,0,0]=4 11556 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [2,0,0,0,0,0|2,0,0]=4 11557 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [2,0,0,0,0,0|2,0,0]=4 11558 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [2,0,0,0,0,0|2,0,0]=4 11559 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [2,0,0,0,0,0|2,0,0]=4 11560 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [2,0,0,0,0,0|2,0,0]=4 11561 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [2,0,0,0,0,0|2,0,0]=4 11562 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [2,0,0,0,0,0|2,0,0]=4 11563 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [2,0,0,0,0,0|2,0,0]=4 11564 B10R0.71 CCCCOCOCCCC 34a_100000210227_100011995733 [2,0,0,0,0,0|2,0,0]=4 11565 B10R0.71 CCCCOCSCCCC 62a_100000210211_100011995733 [2,0,0,0,0,0|2,0,0]=4 11566 B10R0.71 CCCCOCSCCCC 62a_100011995733_100000210210 [2,0,0,0,0,0|2,0,0]=4 11567 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [2,0,0,0,0,0|1,0,0]=3 11568 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [2,0,0,0,0,0|1,0,0]=3 11569 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [2,0,0,0,0,0|2,0,0]=4 11570 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [2,0,0,0,0,0|2,0,0]=4 11571 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [2,0,0,0,0,0|1,0,1]=4 11572 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [2,0,0,0,0,0|1,0,1]=4 11573 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [2,0,0,0,0,0|2,0,0]=4 11574 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [2,0,0,0,0,0|2,0,0]=4 11575 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [2,0,0,0,0,0|2,0,0]=4 11576 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [2,0,0,0,0,0|2,0,0]=4 11577 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [2,0,0,0,0,0|2,0,0]=4 11578 B10R0.71 CCCCSCCNCCC 2230a_100025743550_100000210303 [2,0,0,0,0,0|2,0,0]=4 11579 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [2,0,0,0,0,0|2,0,0]=4 11580 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [2,0,0,0,0,0|2,0,0]=4 11581 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [2,0,0,0,0,0|2,0,0]=4 11582 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [2,0,0,0,0,0|2,0,0]=4 11583 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [2,0,0,0,0,0|2,0,0]=4 11584 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [2,0,0,0,0,0|2,0,0]=4 11585 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [2,0,0,0,0,0|1,0,1]=4 11586 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [2,0,0,0,0,0|1,0,1]=4 11587 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [2,0,0,0,0,0|2,0,0]=4 11588 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [2,0,0,0,0,0|2,0,0]=4 11589 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [2,0,0,0,0,0|2,0,0]=4 11590 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [2,0,0,0,0,0|2,0,0]=4 11591 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [2,0,0,0,0,0|2,0,0]=4 11592 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [2,0,0,0,0,0|2,0,0]=4 11593 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [2,0,0,0,0,0|2,0,0]=4 11594 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [2,0,0,0,0,0|2,0,0]=4 11595 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [2,0,0,0,0,0|2,0,0]=4 11596 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [2,0,0,0,0,0|2,0,0]=4 11597 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [2,0,0,0,0,0|2,0,0]=4 11598 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [2,0,0,0,0,0|2,0,0]=4 11599 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [2,0,0,0,0,0|1,0,1]=4 11600 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [2,0,0,0,0,0|2,0,0]=4 11601 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [2,0,0,0,0,0|2,0,0]=4 11602 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [2,0,0,0,0,0|2,0,0]=4 11603 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [2,0,0,0,0,0|1,0,0]=3 11604 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [2,0,0,0,0,0|1,0,0]=3 11605 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [2,0,0,0,0,0|2,0,0]=4 11606 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [2,0,0,0,0,0|2,0,0]=4 11607 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [2,0,0,0,0,0|1,0,1]=4 11608 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [2,0,0,0,0,0|1,0,1]=4 11609 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [2,0,0,0,0,0|1,0,1]=4 11610 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [2,0,0,0,0,0|1,0,1]=4 11611 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [2,0,0,0,0,0|1,0,1]=4 11612 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [2,0,0,0,0,0|2,0,0]=4 11613 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [2,0,0,0,0,0|2,0,0]=4 11614 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [2,0,0,0,0,0|2,0,0]=4 11615 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [2,0,0,0,0,0|2,0,0]=4 11616 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [2,0,0,0,0,0|1,0,1]=4 11617 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [2,0,0,0,0,0|2,0,0]=4 11618 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [2,0,0,0,0,0|2,0,0]=4 11619 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [2,0,0,0,0,0|2,0,0]=4 11620 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [2,0,0,0,0,0|2,0,0]=4 11621 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [2,0,0,0,0,0|2,0,0]=4 11622 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [2,0,0,0,0,0|2,0,0]=4 11623 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [2,0,0,0,0,0|2,0,0]=4 11624 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [2,0,0,0,0,0|2,0,0]=4 11625 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [2,0,0,0,0,0|2,0,0]=4 11626 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [2,0,0,0,0,0|1,0,1]=4 11627 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [2,0,0,0,0,0|1,0,1]=4 11628 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [2,0,0,0,0,0|2,0,0]=4 11629 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [2,0,0,0,0,0|2,0,0]=4 11630 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [2,0,0,0,0,0|2,0,0]=4 11631 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [2,0,0,0,0,0|2,0,0]=4 11632 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [2,0,0,0,0,0|2,0,0]=4 11633 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [2,0,0,0,0,0|2,0,0]=4 11634 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [2,0,0,0,0,0|1,0,1]=4 11635 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [2,0,0,0,0,0|1,0,1]=4 11636 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [2,0,0,0,0,0|1,0,1]=4 11637 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [2,0,0,0,0,0|1,0,1]=4 11638 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [2,0,0,0,0,0|1,0,1]=4 11639 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [2,0,0,0,0,0|2,0,0]=4 11640 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [2,0,0,0,0,0|2,0,0]=4 11641 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [2,0,0,0,0,0|2,0,0]=4 11642 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [2,0,0,0,0,0|2,0,0]=4 11643 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [2,0,0,0,0,0|2,0,0]=4 11644 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [2,0,0,0,0,0|2,0,0]=4 11645 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [2,0,0,0,0,0|1,0,1]=4 11646 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [2,0,0,0,0,0|2,0,0]=4 11647 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [2,0,0,0,0,0|2,0,0]=4 11648 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [2,0,0,0,0,0|2,0,0]=4 11649 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [2,0,0,0,0,0|2,0,0]=4 11650 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [2,0,0,0,0,0|2,0,0]=4 11651 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [2,0,0,0,0,0|2,0,0]=4 11652 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [2,0,0,0,0,0|2,0,0]=4 11653 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [2,0,0,0,0,0|2,0,0]=4 11654 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [2,0,0,0,0,0|2,0,0]=4 11655 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [2,0,0,0,0,0|1,0,1]=4 11656 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [2,0,0,0,0,0|1,0,1]=4 11657 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [2,0,0,0,0,0|2,0,0]=4 11658 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [2,0,0,0,0,0|2,0,0]=4 11659 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [2,0,0,0,0,0|2,0,0]=4 11660 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [2,0,0,0,0,0|2,0,0]=4 11661 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [2,0,0,0,0,0|2,0,0]=4 11662 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [2,0,0,0,0,0|2,0,0]=4 11663 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [2,0,0,0,0,0|2,0,0]=4 11664 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [2,0,0,0,0,0|2,0,0]=4 11665 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [2,0,0,0,0,0|2,0,0]=4 11666 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [2,0,0,0,0,0|2,0,0]=4 11667 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [2,0,0,0,0,0|2,0,0]=4 11668 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [2,0,0,0,0,0|2,0,0]=4 11669 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [2,0,0,0,0,0|2,0,0]=4 11670 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [2,0,0,0,0,0|2,0,0]=4 11671 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [2,0,0,0,0,0|2,0,0]=4 11672 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [2,0,0,0,0,0|2,0,0]=4 11673 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [2,0,0,0,0,0|2,0,0]=4 11674 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [2,0,0,0,0,0|2,0,0]=4 11675 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [2,0,0,0,0,0|2,0,0]=4 11676 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [2,0,0,0,0,0|2,0,0]=4 11677 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [2,0,0,0,0,0|2,0,0]=4 11678 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [2,0,0,0,0,0|2,0,0]=4 11679 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [2,0,0,0,0,0|2,0,0]=4 11680 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [2,0,0,0,0,0|2,0,0]=4 11681 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [2,0,0,0,0,0|2,0,0]=4 11682 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [2,0,0,0,0,0|2,0,0]=4 11683 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [2,0,0,0,0,0|2,0,0]=4 11684 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [2,0,0,0,0,0|2,0,0]=4 11685 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [2,0,0,0,0,0|2,0,0]=4 11686 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [2,0,0,0,0,0|2,0,0]=4 11687 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [2,0,0,0,0,0|2,0,0]=4 11688 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [2,0,0,0,0,0|2,0,0]=4 11689 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [2,0,0,0,0,0|2,0,0]=4 11690 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [2,0,0,0,0,0|2,0,0]=4 11691 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [2,0,0,0,0,0|2,0,0]=4 11692 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [2,0,0,0,0,0|2,0,0]=4 11693 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [2,0,0,0,0,0|2,0,0]=4 11694 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [2,0,0,0,0,0|2,0,0]=4 11695 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [2,0,0,0,0,0|1,0,1]=4 11696 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [2,0,0,0,0,0|1,0,1]=4 11697 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [2,0,0,0,0,0|2,0,0]=4 11698 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [2,0,0,0,0,0|2,0,0]=4 11699 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [2,0,0,0,0,0|2,0,0]=4 11700 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [2,0,0,0,0,0|2,0,0]=4 11701 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [2,0,0,0,0,0|2,0,0]=4 11702 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [2,0,0,0,0,0|1,0,1]=4 11703 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [2,0,0,0,0,0|1,0,1]=4 11704 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [1,1,0,0,0,0|0,0,2]=4 11705 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [1,1,0,0,0,0|0,0,2]=4 11706 B12R0.1 C=CCC(C)COCCCCCC 34a_100009832082_100000210314 [1,1,0,0,0,0|1,0,1]=4 11707 B12R0.1 C=CCC(C)COCCCCCC 7a_100009832082_100000210314 [1,1,0,0,0,0|1,0,1]=4 11708 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [1,1,0,0,0,0|0,0,2]=4 11709 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [1,1,0,0,0,0|0,0,2]=4 11710 B12R0.1 C=CCCCCCCN(C)CCC 2230a_100000747261_100011215473 [1,1,0,0,0,0|1,0,1]=4 11711 B12R0.1 C=CCCCCCCN(C)CCC 269982a_100000747261_100011215473 [1,1,0,0,0,0|1,0,1]=4 11712 B12R0.1 C=CCCCCCNC(C)CCC 2230a_100000741246_100000700193 [1,1,0,0,0,0|1,0,1]=4 11713 B12R0.1 C=CCCCCCOC(C)CCC 34a_100000764384_100000700193 [1,1,0,0,0,0|1,0,1]=4 11714 B12R0.1 C=CCCCCCOC(C)CCC 34a_100011216702_100000766640 [1,1,0,0,0,0|1,0,1]=4 11715 B12R0.1 C=CCCCCCOC(C)CCC 7a_100000764384_100000700193 [1,1,0,0,0,0|1,0,1]=4 11716 B12R0.1 C=CCCCCCOC(C)CCC 7a_100011216702_100000766640 [1,1,0,0,0,0|1,0,1]=4 11717 B12R0.1 C=CCCCCCSC(C)CCC 62a_100000700193_100000766640 [1,1,0,0,0,0|1,0,1]=4 11718 B12R0.1 C=CCCCCCSC(C)CCC 62a_100000766640_100000700193 [1,1,0,0,0,0|1,0,1]=4 11719 B12R0.1 C=CCCCCNCC(C)CCC 2230a_100000703577_100011216630 [1,1,0,0,0,0|1,0,1]=4 11720 B12R0.1 C=CCCCCNCC(C)CCC 270004a_100000703577_100000243154 [1,1,0,0,0,0|1,0,1]=4 11721 B12R0.1 C=CCCCCNCC(C)CCC 34a_100000703577_100011216630 [1,1,0,0,0,0|1,0,1]=4 11722 B12R0.1 C=CCCCCOCC(C)CCC 34a_100000688023_100011215482 [1,1,0,0,0,0|1,0,1]=4 11723 B12R0.1 C=CCCCCOCC(C)CCC 34a_100000766645_100011216630 [1,1,0,0,0,0|1,0,1]=4 11724 B12R0.1 C=CCCCCOCC(C)CCC 7a_100000688023_100011215482 [1,1,0,0,0,0|1,0,1]=4 11725 B12R0.1 C=CCCCCOCC(C)CCC 7a_100000766645_100011216630 [1,1,0,0,0,0|1,0,1]=4 11726 B12R0.1 C=CCCCCOC[C@@H](N)CCC 34a_100000732646_100011215482 [1,1,0,0,0,0|1,0,1]=4 11727 B12R0.1 C=CCCCCSCC(C)CCC 62a_100011215482_100011216630 [1,1,0,0,0,0|1,0,1]=4 11728 B12R0.1 C=CCCCCSCC(C)CCC 62a_100011216630_100011215482 [1,1,0,0,0,0|1,0,1]=4 11729 B12R0.1 C=CCCCOCCC(C)CCC 34a_100011217855_100000757094 [1,1,0,0,0,0|1,0,1]=4 11730 B12R0.1 C=CCCCOCCC(C)CCC 7a_100011217855_100000757094 [1,1,0,0,0,0|1,0,1]=4 11731 B12R0.1 C=CCCCOCC[C@@H](N)CCC 34a_100015193777_100000757094 [1,1,0,0,0,0|1,0,1]=4 11732 B12R0.1 C=CCCOCCCC(C)CCC 34a_100011713154_100000754431 [1,1,0,0,0,0|1,0,1]=4 11733 B12R0.1 C=CCCOCCCC(C)CCC 7a_100011713154_100000754431 [1,1,0,0,0,0|1,0,1]=4 11734 B12R0.1 C=CCN(C)CCCCCCCC 2230a_100000207567_100000210623 [1,1,0,0,0,0|1,0,1]=4 11735 B12R0.1 C=CCN(C)CCCCCCCC 2230a_100000225617_100000210759 [1,1,0,0,0,0|1,0,1]=4 11736 B12R0.1 C=CCN(C)CCCCCCCC 269982a_100000207567_100000210623 [1,1,0,0,0,0|1,0,1]=4 11737 B12R0.1 C=CCN(C)CCCCCCCC 269982a_100000225617_100000210759 [1,1,0,0,0,0|1,0,1]=4 11738 B12R0.1 C=CC[C@@H](C)OCCCCCCC 34a_100000731007_100000210614 [1,1,0,0,0,0|1,0,1]=4 11739 B12R0.1 C=CC[C@@H](C)OCCCCCCC 7a_100000731007_100000210614 [1,1,0,0,0,0|1,0,1]=4 11740 B12R0.1 C=CC[C@@H](N)COCCCCCC 34a_100020615467_100000210314 [1,1,0,0,0,0|1,0,1]=4 11741 B12R0.1 CC(CCO)SCCCCCC=O 62a_100000139337_100009893172 [1,1,0,0,0,0|2,0,0]=4 11742 B12R0.1 CC(CCO)SCCCCCC=O 62a_100009893172_100000139337 [1,1,0,0,0,0|2,0,0]=4 11743 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [1,1,0,0,0,0|0,0,2]=4 11744 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [1,1,0,0,0,0|0,0,2]=4 11745 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000139335_100000747444 [1,1,0,0,0,0|1,0,1]=4 11746 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000747444_100000139335 [1,1,0,0,0,0|1,0,1]=4 11747 B12R0.1 CCCC(C)CCCOCCCF 34a_100011713154_100011934791 [1,1,0,0,0,0|2,0,0]=4 11748 B12R0.1 CCCC(C)CCCOCCCF 7a_100011713154_100011934791 [1,1,0,0,0,0|2,0,0]=4 11749 B12R0.1 CCCC(C)CCCOCCCO 34a_100011713154_100000230001 [1,1,0,0,0,0|1,0,1]=4 11750 B12R0.1 CCCC(C)CCCOCCCO 7a_100011713154_100011215043 [1,1,0,0,0,0|1,0,1]=4 11751 B12R0.1 CCCC(C)CCOCCCC=O 7a_100011217855_200011292268 [1,1,0,0,0,0|1,0,0]=3 11752 B12R0.1 CCCC(C)CCOCCCCF 34a_100011217855_100000729493 [1,1,0,0,0,0|2,0,0]=4 11753 B12R0.1 CCCC(C)CCOCCCCF 7a_100011217855_100000729493 [1,1,0,0,0,0|2,0,0]=4 11754 B12R0.1 CCCC(C)CCOCCCCO 34a_100011217855_100011216708 [1,1,0,0,0,0|1,0,1]=4 11755 B12R0.1 CCCC(C)CCOCCCCO 7a_100011217855_100000210776 [1,1,0,0,0,0|1,0,1]=4 11756 B12R0.1 CCCC(C)CNCCCCCO 2230a_100000762737_100011216630 [1,1,0,0,0,0|1,0,1]=4 11757 B12R0.1 CCCC(C)CNCCCCCO 270004a_100000762737_100000243154 [1,1,0,0,0,0|1,0,1]=4 11758 B12R0.1 CCCC(C)CNCCCCCO 34a_100000762737_100011216630 [1,1,0,0,0,0|1,0,1]=4 11759 B12R0.1 CCCC(C)COCCCCC=O 7a_100000688023_100000139335 [1,1,0,0,0,0|1,0,0]=3 11760 B12R0.1 CCCC(C)COCCCCCBr 34a_100000746331_100011216630 [1,1,0,0,0,0|2,0,0]=4 11761 B12R0.1 CCCC(C)COCCCCCBr 7a_100000746331_100011216630 [1,1,0,0,0,0|2,0,0]=4 11762 B12R0.1 CCCC(C)COCCCCCCl 34a_100000746330_100011216630 [1,1,0,0,0,0|2,0,0]=4 11763 B12R0.1 CCCC(C)COCCCCCCl 7a_100000746330_100011216630 [1,1,0,0,0,0|2,0,0]=4 11764 B12R0.1 CCCC(C)COCCCCCF 34a_100000688023_100000729378 [1,1,0,0,0,0|2,0,0]=4 11765 B12R0.1 CCCC(C)COCCCCCF 7a_100000688023_100000729378 [1,1,0,0,0,0|2,0,0]=4 11766 B12R0.1 CCCC(C)COCCCCCI 34a_200012148887_100011216630 [1,1,0,0,0,0|2,0,0]=4 11767 B12R0.1 CCCC(C)COCCCCCI 7a_200012148887_100011216630 [1,1,0,0,0,0|2,0,0]=4 11768 B12R0.1 CCCC(C)COCCCCCN 34a_100000762737_100011216630 [1,1,0,0,0,0|2,0,0]=4 11769 B12R0.1 CCCC(C)COCCCCCO 34a_100000688023_100000746330 [1,1,0,0,0,0|1,0,1]=4 11770 B12R0.1 CCCC(C)COCCCCCO 7a_100000688023_100000746330 [1,1,0,0,0,0|1,0,1]=4 11771 B12R0.1 CCCC(C)CSCCCCC=O 62a_100000139335_100011216630 [1,1,0,0,0,0|1,0,0]=3 11772 B12R0.1 CCCC(C)CSCCCCC=O 62a_100011216630_100000139335 [1,1,0,0,0,0|1,0,0]=3 11773 B12R0.1 CCCC(C)CSCCCCCF 62a_100000729378_100011216630 [1,1,0,0,0,0|2,0,0]=4 11774 B12R0.1 CCCC(C)CSCCCCCF 62a_100011216630_100000729378 [1,1,0,0,0,0|2,0,0]=4 11775 B12R0.1 CCCC(C)CSCCCCCO 62a_100000746330_100011216630 [1,1,0,0,0,0|1,0,1]=4 11776 B12R0.1 CCCC(C)CSCCCCCO 62a_100011216630_100000746330 [1,1,0,0,0,0|1,0,1]=4 11777 B12R0.1 CCCC(C)NCCCCCC=O 2230a_100000741246_100000139337 [1,1,0,0,0,0|1,0,0]=3 11778 B12R0.1 CCCC(C)NCCCCCCF 2230a_100000741246_100015922095 [1,1,0,0,0,0|2,0,0]=4 11779 B12R0.1 CCCC(C)NCCCCCCO 2230a_100000686447_100000766640 [1,1,0,0,0,0|1,0,1]=4 11780 B12R0.1 CCCC(C)NCCCCCCO 2230a_100000741246_100000766143 [1,1,0,0,0,0|1,0,1]=4 11781 B12R0.1 CCCC(C)NCCCCCCO 270004a_100000686447_100000211909 [1,1,0,0,0,0|1,0,1]=4 11782 B12R0.1 CCCC(C)NCCCCCCO 34a_100000686447_100000766640 [1,1,0,0,0,0|1,0,1]=4 11783 B12R0.1 CCCC(C)OCCCCCC=O 7a_100000764384_100000139337 [1,1,0,0,0,0|1,0,0]=3 11784 B12R0.1 CCCC(C)OCCCCCCBr 34a_100011215345_100000766640 [1,1,0,0,0,0|2,0,0]=4 11785 B12R0.1 CCCC(C)OCCCCCCBr 7a_100011215345_100000766640 [1,1,0,0,0,0|2,0,0]=4 11786 B12R0.1 CCCC(C)OCCCCCCCl 34a_100000766143_100000766640 [1,1,0,0,0,0|2,0,0]=4 11787 B12R0.1 CCCC(C)OCCCCCCCl 7a_100000766143_100000766640 [1,1,0,0,0,0|2,0,0]=4 11788 B12R0.1 CCCC(C)OCCCCCCF 34a_100000732779_100000766640 [1,1,0,0,0,0|2,0,0]=4 11789 B12R0.1 CCCC(C)OCCCCCCF 34a_100000764384_100015922095 [1,1,0,0,0,0|2,0,0]=4 11790 B12R0.1 CCCC(C)OCCCCCCF 7a_100000732779_100000766640 [1,1,0,0,0,0|2,0,0]=4 11791 B12R0.1 CCCC(C)OCCCCCCF 7a_100000764384_100015922095 [1,1,0,0,0,0|2,0,0]=4 11792 B12R0.1 CCCC(C)OCCCCCCN 34a_100000686447_100000766640 [1,1,0,0,0,0|2,0,0]=4 11793 B12R0.1 CCCC(C)OCCCCCCO 34a_100000764384_100000766143 [1,1,0,0,0,0|1,0,1]=4 11794 B12R0.1 CCCC(C)OCCCCCCO 7a_100000764384_100000766143 [1,1,0,0,0,0|1,0,1]=4 11795 B12R0.1 CCCC(C)SCCCCCC=O 62a_100000139337_100000766640 [1,1,0,0,0,0|1,0,0]=3 11796 B12R0.1 CCCC(C)SCCCCCC=O 62a_100000766640_100000139337 [1,1,0,0,0,0|1,0,0]=3 11797 B12R0.1 CCCC(C)SCCCCCCF 62a_100000766640_100015922095 [1,1,0,0,0,0|2,0,0]=4 11798 B12R0.1 CCCC(C)SCCCCCCF 62a_100015922095_100000766640 [1,1,0,0,0,0|2,0,0]=4 11799 B12R0.1 CCCC(C)SCCCCCCO 62a_100000766143_100000766640 [1,1,0,0,0,0|1,0,1]=4 11800 B12R0.1 CCCC(C)SCCCCCCO 62a_100000766640_100000766143 [1,1,0,0,0,0|1,0,1]=4 11801 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [1,1,0,0,0,0|0,0,2]=4 11802 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [1,1,0,0,0,0|0,0,2]=4 11803 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [1,1,0,0,0,0|1,0,1]=4 11804 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [1,1,0,0,0,0|0,0,2]=4 11805 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [1,1,0,0,0,0|0,0,2]=4 11806 B12R0.1 CCCCCCCCC(C)CNC 270004a_106832991635_100011995885 [1,1,0,0,0,0|1,0,1]=4 11807 B12R0.1 CCCCCCCCC(C)COC 34a_200012125181_200000210301 [1,1,0,0,0,0|1,0,1]=4 11808 B12R0.1 CCCCCCCCC(C)COC 7a_200012125181_200000210301 [1,1,0,0,0,0|1,0,1]=4 11809 B12R0.1 CCCCCCCCC(C)CO[13CH3] 34a_200012125181_200025704644 [1,1,0,0,0,0|1,0,1]=4 11810 B12R0.1 CCCCCCCCC(C)CO[13CH3] 7a_200012125181_200025704644 [1,1,0,0,0,0|1,0,1]=4 11811 B12R0.1 CCCCCCCCC(C)NCC 270004a_100015525214_100011216694 [1,1,0,0,0,0|1,0,1]=4 11812 B12R0.1 CCCCCCCCC(C)OCC 34a_100000210740_100000210202 [1,1,0,0,0,0|1,0,1]=4 11813 B12R0.1 CCCCCCCCC(C)OCC 7a_100000210740_100000210202 [1,1,0,0,0,0|1,0,1]=4 11814 B12R0.1 CCCCCCCCC(C)OCF 34a_100000210740_100015361967 [1,1,0,0,0,0|2,0,0]=4 11815 B12R0.1 CCCCCCCCC(C)OCF 7a_100000210740_100015361967 [1,1,0,0,0,0|2,0,0]=4 11816 B12R0.1 CCCCCCCCN(C)CC=O 2230a_100000207567_200015260668 [1,1,0,0,0,0|1,0,0]=3 11817 B12R0.1 CCCCCCCCN(C)CC=O 269982a_100000207567_200015260668 [1,1,0,0,0,0|1,0,0]=3 11818 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000207567_100000210303 [1,1,0,0,0,0|1,0,1]=4 11819 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000747261_100000210759 [1,1,0,0,0,0|1,0,1]=4 11820 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000207567_100000210303 [1,1,0,0,0,0|1,0,1]=4 11821 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000747261_100000210759 [1,1,0,0,0,0|1,0,1]=4 11822 B12R0.1 CCCCCCCCN(C)CCF 2230a_100000207567_100011217306 [1,1,0,0,0,0|2,0,0]=4 11823 B12R0.1 CCCCCCCCN(C)CCF 269982a_100000207567_100011217306 [1,1,0,0,0,0|2,0,0]=4 11824 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000207567_100000211926 [1,1,0,0,0,0|1,0,1]=4 11825 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000210263_100000210759 [1,1,0,0,0,0|1,0,1]=4 11826 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000207567_100000211926 [1,1,0,0,0,0|1,0,1]=4 11827 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000210263_100000210759 [1,1,0,0,0,0|1,0,1]=4 11828 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000229938_100000766640 [1,1,0,0,0,0|1,0,1]=4 11829 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000741246_100000210681 [1,1,0,0,0,0|1,0,1]=4 11830 B12R0.1 CCCCCCCNC(C)CCC 270004a_100000229938_100000211909 [1,1,0,0,0,0|1,0,1]=4 11831 B12R0.1 CCCCCCCNC(C)CCO 2230a_100000229938_100009893172 [1,1,0,0,0,0|1,0,1]=4 11832 B12R0.1 CCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210681 [1,1,0,0,0,0|1,0,1]=4 11833 B12R0.1 CCCCCCCN[C@H](C)CCO 34a_100000706166_100000210614 [1,1,0,0,0,0|1,0,1]=4 11834 B12R0.1 CCCCCCCOC(C)CCBr 34a_100012276601_100000210614 [1,1,0,0,0,0|2,0,0]=4 11835 B12R0.1 CCCCCCCOC(C)CCC 34a_100000210272_100000766640 [1,1,0,0,0,0|1,0,1]=4 11836 B12R0.1 CCCCCCCOC(C)CCC 34a_100000764384_100000210614 [1,1,0,0,0,0|1,0,1]=4 11837 B12R0.1 CCCCCCCOC(C)CCC 7a_100000210272_100000766640 [1,1,0,0,0,0|1,0,1]=4 11838 B12R0.1 CCCCCCCOC(C)CCC 7a_100000764384_100000210614 [1,1,0,0,0,0|1,0,1]=4 11839 B12R0.1 CCCCCCCOC(C)CCO 34a_100000210272_100009893172 [1,1,0,0,0,0|1,0,1]=4 11840 B12R0.1 CCCCCCCOC(C)CCO 7a_100000210272_100009893172 [1,1,0,0,0,0|1,0,1]=4 11841 B12R0.1 CCCCCCCSC(C)CCC 62a_100000210614_100000766640 [1,1,0,0,0,0|1,0,1]=4 11842 B12R0.1 CCCCCCCSC(C)CCC 62a_100000766640_100000210316 [1,1,0,0,0,0|1,0,1]=4 11843 B12R0.1 CCCCCCCSC(C)CCO 62a_100000210614_100009893172 [1,1,0,0,0,0|1,0,1]=4 11844 B12R0.1 CCCCCCCSC(C)CCO 62a_100009893172_100000210316 [1,1,0,0,0,0|1,0,1]=4 11845 B12R0.1 CCCCCCNCC(C)CCC 2230a_100000210581_100011216630 [1,1,0,0,0,0|1,0,1]=4 11846 B12R0.1 CCCCCCNCC(C)CCC 270004a_100000210581_100000243154 [1,1,0,0,0,0|1,0,1]=4 11847 B12R0.1 CCCCCCOCC(C)CCC 34a_100000210259_100011216630 [1,1,0,0,0,0|1,0,1]=4 11848 B12R0.1 CCCCCCOCC(C)CCC 34a_100000688023_100000210314 [1,1,0,0,0,0|1,0,1]=4 11849 B12R0.1 CCCCCCOCC(C)CCC 7a_100000210259_100011216630 [1,1,0,0,0,0|1,0,1]=4 11850 B12R0.1 CCCCCCOCC(C)CCC 7a_100000688023_100000210314 [1,1,0,0,0,0|1,0,1]=4 11851 B12R0.1 CCCCCCOCC(C)CCN 34a_106354213184_100000210314 [1,1,0,0,0,0|2,0,0]=4 11852 B12R0.1 CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210314 [1,1,0,0,0,0|1,0,1]=4 11853 B12R0.1 CCCCCCSCC(C)CCC 62a_100000210314_100011216630 [1,1,0,0,0,0|1,0,1]=4 11854 B12R0.1 CCCCCCSCC(C)CCC 62a_100011216630_100000210757 [1,1,0,0,0,0|1,0,1]=4 11855 B12R0.1 CCCCCOCCC(C)CCC 34a_100011217855_100000718602 [1,1,0,0,0,0|1,0,1]=4 11856 B12R0.1 CCCCCOCCC(C)CCC 7a_100011217855_100000210326 [1,1,0,0,0,0|1,0,1]=4 11857 B12R0.1 CCCCCOCC[C@@H](N)CCC 34a_100015193777_100000718602 [1,1,0,0,0,0|1,0,1]=4 11858 B12R0.1 CCCCOCCCC(C)CCC 34a_100011713154_100000210210 [1,1,0,0,0,0|1,0,1]=4 11859 B12R0.1 CCCCOCCCC(C)CCC 7a_100011713154_100000210211 [1,1,0,0,0,0|1,0,1]=4 11860 B12R0.1 CCCN(C)CCCCCCCO 2230a_100000747261_100000760002 [1,1,0,0,0,0|1,0,1]=4 11861 B12R0.1 CCCN(C)CCCCCCCO 269982a_100000747261_100000760002 [1,1,0,0,0,0|1,0,1]=4 11862 B12R0.1 CCC[C@H](N)CCOCCCCF 34a_100015193777_100000729493 [1,1,0,0,0,0|2,0,0]=4 11863 B12R0.1 CCC[C@H](N)CCOCCCCO 34a_100015193777_100011216708 [1,1,0,0,0,0|1,0,1]=4 11864 B12R0.1 CCC[C@H](N)COCCCCCF 34a_100000732646_100000729378 [1,1,0,0,0,0|2,0,0]=4 11865 B12R0.1 CCC[C@H](N)COCCCCCO 34a_100000732646_100000746330 [1,1,0,0,0,0|1,0,1]=4 11866 B12R0.1 COCC(C)SCCCCCC=O 62a_100000139337_100000765312 [1,1,0,0,0,0|2,0,0]=4 11867 B12R0.1 COCC(C)SCCCCCC=O 62a_100000765312_100000139337 [1,1,0,0,0,0|2,0,0]=4 11868 B12R0.1 COCC(O)CNCCCCC=O 2230a_100000756049_100000139335 [1,1,0,0,0,0|2,0,0]=4 11869 B12R0.1 COCC(O)CSCCCCC=O 62a_100000139335_100011215053 [1,1,0,0,0,0|2,0,0]=4 11870 B12R0.1 COCC(O)CSCCCCC=O 62a_100011215053_100000139335 [1,1,0,0,0,0|2,0,0]=4 11871 B12R0.1 COC[C@@H](C)NCCCCCC=O 2230a_100000764878_100000139337 [1,1,0,0,0,0|2,0,0]=4 11872 B12R0.1 C[C@H](CCO)NCCCCCC=O 2230a_100000706166_100000139337 [1,1,0,0,0,0|2,0,0]=4 11873 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100000766728_100000210757 [1,1,0,0,0,0|0,0,2]=4 11874 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100102632555_100000757094 [1,1,0,0,0,0|0,0,2]=4 11875 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100000212188_100011215482 [1,1,0,0,0,0|0,0,2]=4 11876 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100011215552_100000210326 [1,1,0,0,0,0|0,0,2]=4 11877 B12R0.47 C=CCCCCN(C)CCCCC 2230a_100000223495_100011215482 [1,1,0,0,0,0|1,0,1]=4 11878 B12R0.47 C=CCCCCN(C)CCCCC 2230a_100012000471_100000210326 [1,1,0,0,0,0|1,0,1]=4 11879 B12R0.47 C=CCCCCN(C)CCCCC 269982a_100000223495_100011215482 [1,1,0,0,0,0|1,0,1]=4 11880 B12R0.47 C=CCCCCN(C)CCCCC 269982a_100012000471_100000210215 [1,1,0,0,0,0|1,0,1]=4 11881 B12R0.47 C=CCCCN(C)CCCCCC 2230a_106256046315_100011713584 [1,1,0,0,0,0|1,0,1]=4 11882 B12R0.47 C=CCCCN(C)CCCCCC 269982a_106256046315_100000757094 [1,1,0,0,0,0|1,0,1]=4 11883 B12R0.47 C=CCCCNC(C)CCCCC 2230a_100000211957_100011713584 [1,1,0,0,0,0|1,0,1]=4 11884 B12R0.47 C=CCCCNC(C)CCCCC 2230a_100000700776_200011218191 [1,1,0,0,0,0|1,0,1]=4 11885 B12R0.47 C=CCCCNC(C)CCCCC 270004a_100000700776_100000211708 [1,1,0,0,0,0|1,0,1]=4 11886 B12R0.47 C=CCCCNC(C)CCCCC 34a_100000700776_200011218191 [1,1,0,0,0,0|1,0,1]=4 11887 B12R0.47 C=CCCCOC(C)CCCCC 34a_100000758997_200011218191 [1,1,0,0,0,0|1,0,1]=4 11888 B12R0.47 C=CCCCOC(C)CCCCC 34a_100011215632_100000757094 [1,1,0,0,0,0|1,0,1]=4 11889 B12R0.47 C=CCCCOC(C)CCCCC 7a_100000758997_200011218191 [1,1,0,0,0,0|1,0,1]=4 11890 B12R0.47 C=CCCCOC(C)CCCCC 7a_100011215632_100000757094 [1,1,0,0,0,0|1,0,1]=4 11891 B12R0.47 C=CCCCSC(C)CCCCC 62a_100011713584_200011218191 [1,1,0,0,0,0|1,0,1]=4 11892 B12R0.47 C=CCCCSC(C)CCCCC 62a_200011218191_100000757094 [1,1,0,0,0,0|1,0,1]=4 11893 B12R0.47 C=CCCNC(C)CCCCCC 2230a_100000210919_100000754431 [1,1,0,0,0,0|1,0,1]=4 11894 B12R0.47 C=CCCNC(C)CCCCCC 2230a_100015191253_100011215978 [1,1,0,0,0,0|1,0,1]=4 11895 B12R0.47 C=CCCNC(C)CCCCCC 270004a_100015191253_100000210826 [1,1,0,0,0,0|1,0,1]=4 11896 B12R0.47 C=CCCNC(C)CCCCCC 34a_100000210919_100000754431 [1,1,0,0,0,0|1,0,1]=4 11897 B12R0.47 C=CCCOC(C)CCCCCC 34a_100000210265_100000754431 [1,1,0,0,0,0|1,0,1]=4 11898 B12R0.47 C=CCCOC(C)CCCCCC 34a_100011205117_100011215978 [1,1,0,0,0,0|1,0,1]=4 11899 B12R0.47 C=CCCOC(C)CCCCCC 7a_100000210265_100000754431 [1,1,0,0,0,0|1,0,1]=4 11900 B12R0.47 C=CCCSC(C)CCCCCC 62a_100000754431_100011215978 [1,1,0,0,0,0|1,0,1]=4 11901 B12R0.47 C=CCCSC(C)CCCCCC 62a_100011215978_100000754431 [1,1,0,0,0,0|1,0,1]=4 11902 B12R0.47 CCCCCC(=O)CCCCCF 1458a_100000212188_100000729378 [1,1,0,0,0,0|1,0,1]=4 11903 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100000212188_100000746330 [1,1,0,0,0,0|0,0,2]=4 11904 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100102619762_100000210326 [1,1,0,0,0,0|0,0,2]=4 11905 B12R0.47 CCCCCC(C)NCCCC=O 2230a_100000211957_200011292268 [1,1,0,0,0,0|1,0,0]=3 11906 B12R0.47 CCCCCC(C)NCCCCF 2230a_100000211957_100000729493 [1,1,0,0,0,0|2,0,0]=4 11907 B12R0.47 CCCCCC(C)NCCCCO 2230a_100000211957_100000210776 [1,1,0,0,0,0|1,0,1]=4 11908 B12R0.47 CCCCCC(C)NCCCCO 2230a_100000750430_200011218191 [1,1,0,0,0,0|1,0,1]=4 11909 B12R0.47 CCCCCC(C)NCCCCO 270004a_100000750430_100000211708 [1,1,0,0,0,0|1,0,1]=4 11910 B12R0.47 CCCCCC(C)NCCCCO 34a_100000750430_200011218191 [1,1,0,0,0,0|1,0,1]=4 11911 B12R0.47 CCCCCC(C)OCCCC=O 7a_100011215632_200011292268 [1,1,0,0,0,0|1,0,0]=3 11912 B12R0.47 CCCCCC(C)OCCCCBr 34a_100011216708_200011218191 [1,1,0,0,0,0|2,0,0]=4 11913 B12R0.47 CCCCCC(C)OCCCCCl 34a_100000210776_200011218191 [1,1,0,0,0,0|2,0,0]=4 11914 B12R0.47 CCCCCC(C)OCCCCCl 7a_100000210776_200011218191 [1,1,0,0,0,0|2,0,0]=4 11915 B12R0.47 CCCCCC(C)OCCCCF 34a_100011215632_100000729493 [1,1,0,0,0,0|2,0,0]=4 11916 B12R0.47 CCCCCC(C)OCCCCF 34a_100011995726_200011218191 [1,1,0,0,0,0|2,0,0]=4 11917 B12R0.47 CCCCCC(C)OCCCCF 7a_100011215632_100000729493 [1,1,0,0,0,0|2,0,0]=4 11918 B12R0.47 CCCCCC(C)OCCCCF 7a_100011995726_200011218191 [1,1,0,0,0,0|2,0,0]=4 11919 B12R0.47 CCCCCC(C)OCCCCI 34a_200012148704_200011218191 [1,1,0,0,0,0|2,0,0]=4 11920 B12R0.47 CCCCCC(C)OCCCCN 34a_100000750430_200011218191 [1,1,0,0,0,0|2,0,0]=4 11921 B12R0.47 CCCCCC(C)OCCCCO 34a_100011215632_100011216708 [1,1,0,0,0,0|1,0,1]=4 11922 B12R0.47 CCCCCC(C)OCCCCO 7a_100011215632_100000210776 [1,1,0,0,0,0|1,0,1]=4 11923 B12R0.47 CCCCCC(C)SCCCC=O 62a_200011218191_200011292268 [1,1,0,0,0,0|1,0,0]=3 11924 B12R0.47 CCCCCC(C)SCCCC=O 62a_200011292268_200011218191 [1,1,0,0,0,0|1,0,0]=3 11925 B12R0.47 CCCCCC(C)SCCCCF 62a_100000729493_200011218191 [1,1,0,0,0,0|2,0,0]=4 11926 B12R0.47 CCCCCC(C)SCCCCF 62a_200011218191_100000729493 [1,1,0,0,0,0|2,0,0]=4 11927 B12R0.47 CCCCCC(C)SCCCCO 62a_100000210776_200011218191 [1,1,0,0,0,0|1,0,1]=4 11928 B12R0.47 CCCCCC(C)SCCCCO 62a_200011218191_100000210776 [1,1,0,0,0,0|1,0,1]=4 11929 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100000212188_100000210757 [1,1,0,0,0,0|0,0,2]=4 11930 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100102632555_100000210326 [1,1,0,0,0,0|0,0,2]=4 11931 B12R0.47 CCCCCCC(=O)CCCCF 1458a_100102632555_100000729493 [1,1,0,0,0,0|1,0,1]=4 11932 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100000695505_100000210757 [1,1,0,0,0,0|0,0,2]=4 11933 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100102632555_100000210776 [1,1,0,0,0,0|0,0,2]=4 11934 B12R0.47 CCCCCCC(C)CCOCC 34a_200011024964_100000210202 [1,1,0,0,0,0|1,0,1]=4 11935 B12R0.47 CCCCCCC(C)CCOCC 7a_200011024964_100000210202 [1,1,0,0,0,0|1,0,1]=4 11936 B12R0.47 CCCCCCC(C)CCOCF 34a_200011024964_100015361967 [1,1,0,0,0,0|2,0,0]=4 11937 B12R0.47 CCCCCCC(C)CCOCF 7a_200011024964_100015361967 [1,1,0,0,0,0|2,0,0]=4 11938 B12R0.47 CCCCCCC(C)NCCCC 2230a_100000102301_100011215978 [1,1,0,0,0,0|1,0,1]=4 11939 B12R0.47 CCCCCCC(C)NCCCC 2230a_100000210919_100000210211 [1,1,0,0,0,0|1,0,1]=4 11940 B12R0.47 CCCCCCC(C)NCCCC 270004a_100000102301_100000210826 [1,1,0,0,0,0|1,0,1]=4 11941 B12R0.47 CCCCCCC(C)NCCCC 34a_100000210919_100000210210 [1,1,0,0,0,0|1,0,1]=4 11942 B12R0.47 CCCCCCC(C)NCCCC 7a_106832991798_100011215978 [1,1,0,0,0,0|1,0,1]=4 11943 B12R0.47 CCCCCCC(C)NCCCF 2230a_100000210919_100011934791 [1,1,0,0,0,0|2,0,0]=4 11944 B12R0.47 CCCCCCC(C)NCCCF 2230a_100015189416_100011215978 [1,1,0,0,0,0|2,0,0]=4 11945 B12R0.47 CCCCCCC(C)NCCCF 270004a_100015189416_100000210826 [1,1,0,0,0,0|2,0,0]=4 11946 B12R0.47 CCCCCCC(C)NCCCF 34a_100000210919_100011934791 [1,1,0,0,0,0|2,0,0]=4 11947 B12R0.47 CCCCCCC(C)NCCCF 34a_100015189416_100011215978 [1,1,0,0,0,0|2,0,0]=4 11948 B12R0.47 CCCCCCC(C)NCCCO 2230a_100000210919_100000230001 [1,1,0,0,0,0|1,0,1]=4 11949 B12R0.47 CCCCCCC(C)NCCCO 270004a_100000182051_100000210826 [1,1,0,0,0,0|1,0,1]=4 11950 B12R0.47 CCCCCCC(C)NCCCO 34a_100000210919_100000230001 [1,1,0,0,0,0|1,0,1]=4 11951 B12R0.47 CCCCCCC(C)OCCCBr 34a_100011217188_100011215978 [1,1,0,0,0,0|2,0,0]=4 11952 B12R0.47 CCCCCCC(C)OCCCC 34a_100000210227_100011215978 [1,1,0,0,0,0|1,0,1]=4 11953 B12R0.47 CCCCCCC(C)OCCCC 34a_100000210265_100000210210 [1,1,0,0,0,0|1,0,1]=4 11954 B12R0.47 CCCCCCC(C)OCCCC 7a_100000210227_100011215978 [1,1,0,0,0,0|1,0,1]=4 11955 B12R0.47 CCCCCCC(C)OCCCC 7a_100000210265_100000210211 [1,1,0,0,0,0|1,0,1]=4 11956 B12R0.47 CCCCCCC(C)OCCCCl 34a_100000230001_100011215978 [1,1,0,0,0,0|2,0,0]=4 11957 B12R0.47 CCCCCCC(C)OCCCF 34a_100000210265_100011934791 [1,1,0,0,0,0|2,0,0]=4 11958 B12R0.47 CCCCCCC(C)OCCCF 34a_100000759539_100011215978 [1,1,0,0,0,0|2,0,0]=4 11959 B12R0.47 CCCCCCC(C)OCCCF 7a_100000210265_100011934791 [1,1,0,0,0,0|2,0,0]=4 11960 B12R0.47 CCCCCCC(C)OCCCN 34a_100000182051_100011215978 [1,1,0,0,0,0|2,0,0]=4 11961 B12R0.47 CCCCCCC(C)OCCCO 34a_100000210265_100000230001 [1,1,0,0,0,0|1,0,1]=4 11962 B12R0.47 CCCCCCC(C)OCCCO 7a_100000210265_100011215043 [1,1,0,0,0,0|1,0,1]=4 11963 B12R0.47 CCCCCCC(C)SCCCC 62a_100000210211_100011215978 [1,1,0,0,0,0|1,0,1]=4 11964 B12R0.47 CCCCCCC(C)SCCCC 62a_100011215978_100000210210 [1,1,0,0,0,0|1,0,1]=4 11965 B12R0.47 CCCCCCC(C)SCCCF 62a_100011215978_100011934791 [1,1,0,0,0,0|2,0,0]=4 11966 B12R0.47 CCCCCCC(C)SCCCF 62a_100011934791_100011215978 [1,1,0,0,0,0|2,0,0]=4 11967 B12R0.47 CCCCCCC(C)SCCCO 62a_100011215043_100011215978 [1,1,0,0,0,0|1,0,1]=4 11968 B12R0.47 CCCCCCC(C)SCCCO 62a_100011215978_100011215043 [1,1,0,0,0,0|1,0,1]=4 11969 B12R0.47 CCCCCCN(C)CCCC=O 2230a_106256046315_200011292268 [1,1,0,0,0,0|1,0,0]=3 11970 B12R0.47 CCCCCCN(C)CCCC=O 269982a_106256046315_200011292268 [1,1,0,0,0,0|1,0,0]=3 11971 B12R0.47 CCCCCCN(C)CCCCC 2230a_100000223495_100000210314 [1,1,0,0,0,0|1,0,1]=4 11972 B12R0.47 CCCCCCN(C)CCCCC 2230a_106256046315_100000210326 [1,1,0,0,0,0|1,0,1]=4 11973 B12R0.47 CCCCCCN(C)CCCCC 269982a_100000223495_100000210757 [1,1,0,0,0,0|1,0,1]=4 11974 B12R0.47 CCCCCCN(C)CCCCC 269982a_106256046315_100000210215 [1,1,0,0,0,0|1,0,1]=4 11975 B12R0.47 CCCCCCN(C)CCCCF 2230a_106256046315_100000729493 [1,1,0,0,0,0|2,0,0]=4 11976 B12R0.47 CCCCCCN(C)CCCCF 269982a_106256046315_100000729493 [1,1,0,0,0,0|2,0,0]=4 11977 B12R0.47 CCCCCCN(C)CCCCO 2230a_100000717598_100000210314 [1,1,0,0,0,0|1,0,1]=4 11978 B12R0.47 CCCCCCN(C)CCCCO 2230a_106256046315_100000210776 [1,1,0,0,0,0|1,0,1]=4 11979 B12R0.47 CCCCCCN(C)CCCCO 269982a_100000717598_100000210757 [1,1,0,0,0,0|1,0,1]=4 11980 B12R0.47 CCCCCCN(C)CCCCO 269982a_106256046315_100000210776 [1,1,0,0,0,0|1,0,1]=4 11981 B12R0.47 CCCCCN(C)CCCCC=O 2230a_100000223495_100000139335 [1,1,0,0,0,0|1,0,0]=3 11982 B12R0.47 CCCCCN(C)CCCCC=O 269982a_100000223495_100000139335 [1,1,0,0,0,0|1,0,0]=3 11983 B12R0.47 CCCCCN(C)CCCCCF 2230a_100000223495_100000729378 [1,1,0,0,0,0|2,0,0]=4 11984 B12R0.47 CCCCCN(C)CCCCCF 269982a_100000223495_100000729378 [1,1,0,0,0,0|2,0,0]=4 11985 B12R0.47 CCCCCN(C)CCCCCO 2230a_100000223495_100000746330 [1,1,0,0,0,0|1,0,1]=4 11986 B12R0.47 CCCCCN(C)CCCCCO 2230a_100000722520_100000210326 [1,1,0,0,0,0|1,0,1]=4 11987 B12R0.47 CCCCCN(C)CCCCCO 269982a_100000223495_100000746330 [1,1,0,0,0,0|1,0,1]=4 11988 B12R0.47 CCCCCN(C)CCCCCO 269982a_100000722520_100000210215 [1,1,0,0,0,0|1,0,1]=4 11989 B12R0.47 CCCCCNC(C)CCCCC 2230a_100000209983_200011218191 [1,1,0,0,0,0|1,0,1]=4 11990 B12R0.47 CCCCCNC(C)CCCCC 2230a_100000211957_100000210326 [1,1,0,0,0,0|1,0,1]=4 11991 B12R0.47 CCCCCNC(C)CCCCC 270004a_100000209983_100000211708 [1,1,0,0,0,0|1,0,1]=4 11992 B12R0.47 CCCCCOC(C)CCCCC 34a_100000210253_200011218191 [1,1,0,0,0,0|1,0,1]=4 11993 B12R0.47 CCCCCOC(C)CCCCC 34a_100011215632_100000718602 [1,1,0,0,0,0|1,0,1]=4 11994 B12R0.47 CCCCCOC(C)CCCCC 7a_100000210253_200011218191 [1,1,0,0,0,0|1,0,1]=4 11995 B12R0.47 CCCCCOC(C)CCCCC 7a_100011215632_100000210326 [1,1,0,0,0,0|1,0,1]=4 11996 B12R0.47 CCCCCSC(C)CCCCC 62a_100000210326_200011218191 [1,1,0,0,0,0|1,0,1]=4 11997 B12R0.47 CCCCCSC(C)CCCCC 62a_200011218191_100000210326 [1,1,0,0,0,0|1,0,1]=4 11998 B12R0.47 CCCCOC[C@@H](N)CCCCN 34a_100016993712_100000210210 [1,1,0,0,0,0|2,0,0]=4 11999 B12R0.47 CN(CCCC=O)CCCCCO 2230a_100000722520_200011292268 [1,1,0,0,0,0|2,0,0]=4 12000 B12R0.47 CN(CCCC=O)CCCCCO 269982a_100000722520_200011292268 [1,1,0,0,0,0|2,0,0]=4 12001 B12R0.47 CN(CCCCO)CCCCC=O 2230a_100000717598_100000139335 [1,1,0,0,0,0|2,0,0]=4 12002 B12R0.47 CN(CCCCO)CCCCC=O 269982a_100000717598_100000139335 [1,1,0,0,0,0|2,0,0]=4 12003 B12R0.47 COCCCC(C)OCCCC=O 7a_200011539412_200011292268 [1,1,0,0,0,0|2,0,0]=4 12004 B12R0.47 COCCCN(C)CCCCC=O 2230a_100000224831_100000139335 [1,1,0,0,0,0|2,0,0]=4 12005 B12R0.47 COCCCN(C)CCCCC=O 269982a_100000224831_100000139335 [1,1,0,0,0,0|2,0,0]=4 12006 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [1,1,0,0,0,0|0,0,2]=4 12007 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [1,1,0,0,0,0|0,0,2]=4 12008 B12R0.206 C=CCCC(C)NCCCCCC 270004a_100000210581_100000762624 [1,1,0,0,0,0|1,0,1]=4 12009 B12R0.206 C=CCCC(C)OCCCCCC 34a_100000765329_100000210314 [1,1,0,0,0,0|1,0,1]=4 12010 B12R0.206 C=CCCC(C)OCCCCCC 7a_100000765329_100000210314 [1,1,0,0,0,0|1,0,1]=4 12011 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100000210183_100000700193 [1,1,0,0,0,0|0,0,2]=4 12012 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100011934241_100000210211 [1,1,0,0,0,0|0,0,2]=4 12013 B12R0.206 C=CCCCCCN(C)CCCC 2230a_100000207549_100000700193 [1,1,0,0,0,0|1,0,1]=4 12014 B12R0.206 C=CCCCCCN(C)CCCC 269982a_100000207549_100000700193 [1,1,0,0,0,0|1,0,1]=4 12015 B12R0.206 C=CCCCCNC(C)CCCC 2230a_100000126638_100011215482 [1,1,0,0,0,0|1,0,1]=4 12016 B12R0.206 C=CCCCCNC(C)CCCC 2230a_100000703577_200011215066 [1,1,0,0,0,0|1,0,1]=4 12017 B12R0.206 C=CCCCCNC(C)CCCC 270004a_100000703577_100000210087 [1,1,0,0,0,0|1,0,1]=4 12018 B12R0.206 C=CCCCCNC(C)CCCC 34a_100000703577_200011215066 [1,1,0,0,0,0|1,0,1]=4 12019 B12R0.206 C=CCCCCOC(C)CCCC 34a_100000687866_100011215482 [1,1,0,0,0,0|1,0,1]=4 12020 B12R0.206 C=CCCCCOC(C)CCCC 34a_100000766645_200011215066 [1,1,0,0,0,0|1,0,1]=4 12021 B12R0.206 C=CCCCCOC(C)CCCC 7a_100000687866_100011215482 [1,1,0,0,0,0|1,0,1]=4 12022 B12R0.206 C=CCCCCOC(C)CCCC 7a_100000766645_200011215066 [1,1,0,0,0,0|1,0,1]=4 12023 B12R0.206 C=CCCCCSC(C)CCCC 62a_100011215482_200011215066 [1,1,0,0,0,0|1,0,1]=4 12024 B12R0.206 C=CCCCCSC(C)CCCC 62a_200011215066_100011215482 [1,1,0,0,0,0|1,0,1]=4 12025 B12R0.206 C=CCCCOCC(C)CCCC 34a_100011995851_100000757094 [1,1,0,0,0,0|1,0,1]=4 12026 B12R0.206 C=CCCCOCC(C)CCCC 7a_100011995851_100000757094 [1,1,0,0,0,0|1,0,1]=4 12027 B12R0.206 C=CCCCOC[C@@H](N)CCCC 34a_100011934283_100000757094 [1,1,0,0,0,0|1,0,1]=4 12028 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100000228206_100000754431 [1,1,0,0,0,0|1,0,1]=4 12029 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100020639649_100000210681 [1,1,0,0,0,0|1,0,1]=4 12030 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100000228206_100000754431 [1,1,0,0,0,0|1,0,1]=4 12031 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100020639649_100000210681 [1,1,0,0,0,0|1,0,1]=4 12032 B12R0.206 C=CCNC(C)CCCCCCC 2230a_100020586998_200011218727 [1,1,0,0,0,0|1,0,1]=4 12033 B12R0.206 C=CCNC(C)CCCCCCC 270004a_100020586998_100000210596 [1,1,0,0,0,0|1,0,1]=4 12034 B12R0.206 C=CCOC(C)CCCCCCC 34a_200000210373_200011218727 [1,1,0,0,0,0|1,0,1]=4 12035 B12R0.206 C=CCOC(C)CCCCCCC 34a_200011215852_100015514636 [1,1,0,0,0,0|1,0,1]=4 12036 B12R0.206 C=CCOC(C)CCCCCCC 7a_200011215852_100015514636 [1,1,0,0,0,0|1,0,1]=4 12037 B12R0.206 C=CCSC(C)CCCCCCC 62a_100000210623_200011218727 [1,1,0,0,0,0|1,0,1]=4 12038 B12R0.206 C=CCSC(C)CCCCCCC 62a_200011218727_100000210623 [1,1,0,0,0,0|1,0,1]=4 12039 B12R0.206 CC(CCCCl)OCCCCC=O 7a_200000718107_100000139335 [1,1,0,0,0,0|2,0,0]=4 12040 B12R0.206 CCCCC(=O)CCCCCCF 1458a_100000210183_100015922095 [1,1,0,0,0,0|1,0,1]=4 12041 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100000210183_100000766143 [1,1,0,0,0,0|0,0,2]=4 12042 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100011996774_100000210211 [1,1,0,0,0,0|0,0,2]=4 12043 B12R0.206 CCCCC(C)CCCCOCC 34a_200011021034_100000210202 [1,1,0,0,0,0|1,0,1]=4 12044 B12R0.206 CCCCC(C)CCCCOCC 7a_200011021034_100000210202 [1,1,0,0,0,0|1,0,1]=4 12045 B12R0.206 CCCCC(C)CCCCOCF 34a_200011021034_100015361967 [1,1,0,0,0,0|2,0,0]=4 12046 B12R0.206 CCCCC(C)CCCCOCF 7a_200011021034_100015361967 [1,1,0,0,0,0|2,0,0]=4 12047 B12R0.206 CCCCC(C)COCCCC=O 7a_100011995851_200011292268 [1,1,0,0,0,0|1,0,0]=3 12048 B12R0.206 CCCCC(C)COCCCCF 34a_100011995851_100000729493 [1,1,0,0,0,0|2,0,0]=4 12049 B12R0.206 CCCCC(C)COCCCCF 7a_100011995851_100000729493 [1,1,0,0,0,0|2,0,0]=4 12050 B12R0.206 CCCCC(C)COCCCCO 34a_100011995851_100011216708 [1,1,0,0,0,0|1,0,1]=4 12051 B12R0.206 CCCCC(C)COCCCCO 7a_100011995851_100000210776 [1,1,0,0,0,0|1,0,1]=4 12052 B12R0.206 CCCCC(C)NCCCCC=O 2230a_100000126638_100000139335 [1,1,0,0,0,0|1,0,0]=3 12053 B12R0.206 CCCCC(C)NCCCCCF 2230a_100000126638_100000729378 [1,1,0,0,0,0|2,0,0]=4 12054 B12R0.206 CCCCC(C)NCCCCCO 2230a_100000126638_100000746330 [1,1,0,0,0,0|1,0,1]=4 12055 B12R0.206 CCCCC(C)NCCCCCO 2230a_100000762737_200011215066 [1,1,0,0,0,0|1,0,1]=4 12056 B12R0.206 CCCCC(C)NCCCCCO 270004a_100000762737_100000210087 [1,1,0,0,0,0|1,0,1]=4 12057 B12R0.206 CCCCC(C)NCCCCCO 34a_100000762737_200011215066 [1,1,0,0,0,0|1,0,1]=4 12058 B12R0.206 CCCCC(C)OCCCCC=O 7a_100000687866_100000139335 [1,1,0,0,0,0|1,0,0]=3 12059 B12R0.206 CCCCC(C)OCCCCCBr 34a_100000746331_200011215066 [1,1,0,0,0,0|2,0,0]=4 12060 B12R0.206 CCCCC(C)OCCCCCBr 7a_100000746331_200011215066 [1,1,0,0,0,0|2,0,0]=4 12061 B12R0.206 CCCCC(C)OCCCCCCl 34a_100000746330_200011215066 [1,1,0,0,0,0|2,0,0]=4 12062 B12R0.206 CCCCC(C)OCCCCCCl 7a_100000746330_200011215066 [1,1,0,0,0,0|2,0,0]=4 12063 B12R0.206 CCCCC(C)OCCCCCF 34a_100000687866_100000729378 [1,1,0,0,0,0|2,0,0]=4 12064 B12R0.206 CCCCC(C)OCCCCCF 7a_100000687866_100000729378 [1,1,0,0,0,0|2,0,0]=4 12065 B12R0.206 CCCCC(C)OCCCCCI 34a_200012148887_200011215066 [1,1,0,0,0,0|2,0,0]=4 12066 B12R0.206 CCCCC(C)OCCCCCI 7a_200012148887_200011215066 [1,1,0,0,0,0|2,0,0]=4 12067 B12R0.206 CCCCC(C)OCCCCCN 34a_100000762737_200011215066 [1,1,0,0,0,0|2,0,0]=4 12068 B12R0.206 CCCCC(C)OCCCCCO 34a_100000687866_100000746330 [1,1,0,0,0,0|1,0,1]=4 12069 B12R0.206 CCCCC(C)OCCCCCO 7a_100000687866_100000746330 [1,1,0,0,0,0|1,0,1]=4 12070 B12R0.206 CCCCC(C)SCCCCC=O 62a_100000139335_200011215066 [1,1,0,0,0,0|1,0,0]=3 12071 B12R0.206 CCCCC(C)SCCCCC=O 62a_200011215066_100000139335 [1,1,0,0,0,0|1,0,0]=3 12072 B12R0.206 CCCCC(C)SCCCCCF 62a_100000729378_200011215066 [1,1,0,0,0,0|2,0,0]=4 12073 B12R0.206 CCCCC(C)SCCCCCF 62a_200011215066_100000729378 [1,1,0,0,0,0|2,0,0]=4 12074 B12R0.206 CCCCC(C)SCCCCCO 62a_100000746330_200011215066 [1,1,0,0,0,0|1,0,1]=4 12075 B12R0.206 CCCCC(C)SCCCCCO 62a_200011215066_100000746330 [1,1,0,0,0,0|1,0,1]=4 12076 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000210183_100000210614 [1,1,0,0,0,0|0,0,2]=4 12077 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000211969_100000210211 [1,1,0,0,0,0|0,0,2]=4 12078 B12R0.206 CCCCCCCC(=O)CCCF 1458a_100000211969_100011934791 [1,1,0,0,0,0|1,0,1]=4 12079 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [1,1,0,0,0,0|0,0,2]=4 12080 B12R0.206 CCCCCCCC(C)NCCC 270004a_100020643023_100000210596 [1,1,0,0,0,0|1,0,1]=4 12081 B12R0.206 CCCCCCCC(C)NCCF 34a_100000724931_200011218727 [1,1,0,0,0,0|2,0,0]=4 12082 B12R0.206 CCCCCCCC(C)NCCO 2230a_100016997473_200011218727 [1,1,0,0,0,0|1,0,1]=4 12083 B12R0.206 CCCCCCCC(C)NCCO 270004a_100000210304_100000210596 [1,1,0,0,0,0|1,0,1]=4 12084 B12R0.206 CCCCCCCC(C)NCCO 34a_100016990907_200011218727 [1,1,0,0,0,0|1,0,1]=4 12085 B12R0.206 CCCCCCCC(C)OCC=O 34a_200011215852_200009817547 [1,1,0,0,0,0|1,0,0]=3 12086 B12R0.206 CCCCCCCC(C)OCC=O 7a_200011215852_200015260668 [1,1,0,0,0,0|1,0,0]=3 12087 B12R0.206 CCCCCCCC(C)OCCBr 34a_100000211926_200011218727 [1,1,0,0,0,0|2,0,0]=4 12088 B12R0.206 CCCCCCCC(C)OCCC 34a_100000210258_200011218727 [1,1,0,0,0,0|1,0,1]=4 12089 B12R0.206 CCCCCCCC(C)OCCC 34a_200011215852_100000210303 [1,1,0,0,0,0|1,0,1]=4 12090 B12R0.206 CCCCCCCC(C)OCCC 7a_200011215852_100000210303 [1,1,0,0,0,0|1,0,1]=4 12091 B12R0.206 CCCCCCCC(C)OCCF 34a_200011215852_100011217306 [1,1,0,0,0,0|2,0,0]=4 12092 B12R0.206 CCCCCCCC(C)OCCF 7a_200011215852_100011217306 [1,1,0,0,0,0|2,0,0]=4 12093 B12R0.206 CCCCCCCC(C)OCCN 34a_100000210304_200011218727 [1,1,0,0,0,0|2,0,0]=4 12094 B12R0.206 CCCCCCCC(C)OCCO 34a_200011215852_100000211926 [1,1,0,0,0,0|1,0,1]=4 12095 B12R0.206 CCCCCCCC(C)OCCO 7a_200011215852_100000211926 [1,1,0,0,0,0|1,0,1]=4 12096 B12R0.206 CCCCCCCC(C)SCC=O 62a_200011218727_200015260668 [1,1,0,0,0,0|1,0,0]=3 12097 B12R0.206 CCCCCCCC(C)SCC=O 62a_200015260668_200011218727 [1,1,0,0,0,0|1,0,0]=3 12098 B12R0.206 CCCCCCCC(C)SCCC 62a_100000210303_200011218727 [1,1,0,0,0,0|1,0,1]=4 12099 B12R0.206 CCCCCCCC(C)SCCC 62a_200011218727_100000210303 [1,1,0,0,0,0|1,0,1]=4 12100 B12R0.206 CCCCCCCC(C)SCCF 62a_100011217306_200011218727 [1,1,0,0,0,0|2,0,0]=4 12101 B12R0.206 CCCCCCCC(C)SCCF 62a_200011218727_100011217306 [1,1,0,0,0,0|2,0,0]=4 12102 B12R0.206 CCCCCCCC(C)SCCO 62a_100000211926_200011218727 [1,1,0,0,0,0|1,0,1]=4 12103 B12R0.206 CCCCCCCC(C)SCCO 62a_200011218727_100000211926 [1,1,0,0,0,0|1,0,1]=4 12104 B12R0.206 CCCCCCCN(C)CCCC 2230a_100000207549_100000210681 [1,1,0,0,0,0|1,0,1]=4 12105 B12R0.206 CCCCCCCN(C)CCCC 2230a_100000228206_100000210211 [1,1,0,0,0,0|1,0,1]=4 12106 B12R0.206 CCCCCCCN(C)CCCC 269982a_100000207549_100000210681 [1,1,0,0,0,0|1,0,1]=4 12107 B12R0.206 CCCCCCCN(C)CCCC 269982a_100000228206_100000210211 [1,1,0,0,0,0|1,0,1]=4 12108 B12R0.206 CCCCCCCN(C)CCCF 2230a_100000228206_100011934791 [1,1,0,0,0,0|2,0,0]=4 12109 B12R0.206 CCCCCCCN(C)CCCF 269982a_100000228206_100011934791 [1,1,0,0,0,0|2,0,0]=4 12110 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000213112_100000210681 [1,1,0,0,0,0|1,0,1]=4 12111 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000228206_100000230001 [1,1,0,0,0,0|1,0,1]=4 12112 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000213112_100000210681 [1,1,0,0,0,0|1,0,1]=4 12113 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000228206_100011215043 [1,1,0,0,0,0|1,0,1]=4 12114 B12R0.206 CCCCCCNC(C)CCCC 2230a_100000126638_100000210314 [1,1,0,0,0,0|1,0,1]=4 12115 B12R0.206 CCCCCCNC(C)CCCC 2230a_100000210581_200011215066 [1,1,0,0,0,0|1,0,1]=4 12116 B12R0.206 CCCCCCNC(C)CCCC 270004a_100000210581_100000210087 [1,1,0,0,0,0|1,0,1]=4 12117 B12R0.206 CCCCCCOC(C)CCCC 34a_100000210259_200011215066 [1,1,0,0,0,0|1,0,1]=4 12118 B12R0.206 CCCCCCOC(C)CCCC 34a_100000687866_100000210314 [1,1,0,0,0,0|1,0,1]=4 12119 B12R0.206 CCCCCCOC(C)CCCC 7a_100000210259_200011215066 [1,1,0,0,0,0|1,0,1]=4 12120 B12R0.206 CCCCCCOC(C)CCCC 7a_100000687866_100000210314 [1,1,0,0,0,0|1,0,1]=4 12121 B12R0.206 CCCCCCOC(C)CCCCl 34a_200000718107_100000210314 [1,1,0,0,0,0|2,0,0]=4 12122 B12R0.206 CCCCCCOC(C)CCCCl 7a_200000718107_100000210314 [1,1,0,0,0,0|2,0,0]=4 12123 B12R0.206 CCCCCCSC(C)CCCC 62a_100000210314_200011215066 [1,1,0,0,0,0|1,0,1]=4 12124 B12R0.206 CCCCCCSC(C)CCCC 62a_200011215066_100000210757 [1,1,0,0,0,0|1,0,1]=4 12125 B12R0.206 CCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210326 [1,1,0,0,0,0|1,0,1]=4 12126 B12R0.206 CCCCCNC[C@H](C)CCCO 34a_100160569302_100000718602 [1,1,0,0,0,0|1,0,1]=4 12127 B12R0.206 CCCCCOCC(C)CCCC 34a_100011995851_100000718602 [1,1,0,0,0,0|1,0,1]=4 12128 B12R0.206 CCCCCOCC(C)CCCC 7a_100011995851_100000210326 [1,1,0,0,0,0|1,0,1]=4 12129 B12R0.206 CCCCCOC[C@@H](N)CCCC 34a_100011934283_100000718602 [1,1,0,0,0,0|1,0,1]=4 12130 B12R0.206 CCCCN(C)CCCCCC=O 2230a_100000207549_100000139337 [1,1,0,0,0,0|1,0,0]=3 12131 B12R0.206 CCCCN(C)CCCCCC=O 269982a_100000207549_100000139337 [1,1,0,0,0,0|1,0,0]=3 12132 B12R0.206 CCCCN(C)CCCCCCF 2230a_100000207549_100015922095 [1,1,0,0,0,0|2,0,0]=4 12133 B12R0.206 CCCCN(C)CCCCCCF 269982a_100000207549_100015922095 [1,1,0,0,0,0|2,0,0]=4 12134 B12R0.206 CCCCN(C)CCCCCCO 2230a_100000207549_100000766143 [1,1,0,0,0,0|1,0,1]=4 12135 B12R0.206 CCCCN(C)CCCCCCO 269982a_100000207549_100000766143 [1,1,0,0,0,0|1,0,1]=4 12136 B12R0.206 CCCC[C@H](N)COCCCCF 34a_100011934283_100000729493 [1,1,0,0,0,0|2,0,0]=4 12137 B12R0.206 CCCC[C@H](N)COCCCCO 34a_100011934283_100011216708 [1,1,0,0,0,0|1,0,1]=4 12138 B12R0.206 CCCOC(C)CNCCCC=O 2230a_100015185124_200011292268 [1,1,0,0,0,0|2,0,0]=4 12139 B12R0.206 CCOCC(C)OCCCCC=O 7a_100000718985_100000139335 [1,1,0,0,0,0|2,0,0]=4 12140 B12R0.206 CCOCC(O)CNCCCC=O 2230a_102515437182_200011292268 [1,1,0,0,0,0|2,0,0]=4 12141 B12R0.206 CN(CCCO)CCCCCC=O 2230a_100000213112_100000139337 [1,1,0,0,0,0|2,0,0]=4 12142 B12R0.206 CN(CCCO)CCCCCC=O 269982a_100000213112_100000139337 [1,1,0,0,0,0|2,0,0]=4 12143 B12R0.206 COCCN(C)CCCCCC=O 2230a_100000743101_100000139337 [1,1,0,0,0,0|2,0,0]=4 12144 B12R0.206 COCCN(C)CCCCCC=O 269982a_100000743101_100000139337 [1,1,0,0,0,0|2,0,0]=4 12145 B12R0.206 CSCCN(C)CCCCCC=O 2230a_100000686725_100000139337 [1,1,0,0,0,0|2,0,0]=4 12146 B12R0.206 CSCCN(C)CCCCCC=O 269982a_100000686725_100000139337 [1,1,0,0,0,0|2,0,0]=4 12147 B12R0.206 C[C@H](CCCO)CNCCCC=O 2230a_100160569302_200011292268 [1,1,0,0,0,0|2,0,0]=4 12148 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [1,1,0,0,0,0|0,0,2]=4 12149 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [1,1,0,0,0,0|0,0,2]=4 12150 B12R0.234 C=C(Br)CCOCCCCCCC 34a_100009813270_100000210614 [1,1,0,0,0,0|1,0,1]=4 12151 B12R0.234 C=C(C)CCNCCCCCCC 2230a_100000229938_100000730704 [1,1,0,0,0,0|1,0,1]=4 12152 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000210272_100000730704 [1,1,0,0,0,0|1,0,1]=4 12153 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000764851_100000210614 [1,1,0,0,0,0|1,0,1]=4 12154 B12R0.234 C=C(C)CCOCCCCCCC 7a_100000210272_100000730704 [1,1,0,0,0,0|1,0,1]=4 12155 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000139337_100000730704 [1,1,0,0,0,0|1,0,1]=4 12156 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000730704_100000139337 [1,1,0,0,0,0|1,0,1]=4 12157 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000210614_100000730704 [1,1,0,0,0,0|1,0,1]=4 12158 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000730704_100000210316 [1,1,0,0,0,0|1,0,1]=4 12159 B12R0.234 C=C(C)CNCCCCCCCC 2230a_100000229939_100000748629 [1,1,0,0,0,0|1,0,1]=4 12160 B12R0.234 C=C(C)CNCCCCCCCC 34a_100000229939_100000748629 [1,1,0,0,0,0|1,0,1]=4 12161 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210232_100000748629 [1,1,0,0,0,0|1,0,1]=4 12162 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210245_100000210759 [1,1,0,0,0,0|1,0,1]=4 12163 B12R0.234 C=C(C)COCCCCCCCC 7a_100000210232_100000748629 [1,1,0,0,0,0|1,0,1]=4 12164 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000210759_100000211660 [1,1,0,0,0,0|1,0,1]=4 12165 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000748629_100000210317 [1,1,0,0,0,0|1,0,1]=4 12166 B12R0.234 C=C(F)CNCCCCCCCC 2230a_100000229939_100009893438 [1,1,0,0,0,0|1,0,1]=4 12167 B12R0.234 C=C(F)CNCCCCCCCC 34a_100000229939_100009893438 [1,1,0,0,0,0|1,0,1]=4 12168 B12R0.234 C=C(F)COCCCCCCCC 34a_100000210232_100009893438 [1,1,0,0,0,0|1,0,1]=4 12169 B12R0.234 C=C(F)COCCCCCCCC 34a_200010262243_100000210759 [1,1,0,0,0,0|1,0,1]=4 12170 B12R0.234 C=C(F)COCCCCCCCC 7a_100000210232_100000042424 [1,1,0,0,0,0|1,0,1]=4 12171 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000042424_100000210317 [1,1,0,0,0,0|1,0,1]=4 12172 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000210759_100000042424 [1,1,0,0,0,0|1,0,1]=4 12173 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [1,1,0,0,0,0|0,0,2]=4 12174 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [1,1,0,0,0,0|0,0,2]=4 12175 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [1,1,0,0,0,0|0,0,2]=4 12176 B12R0.234 C=CCCCCCCCCN(C)C 2230a_100102631434_100011933949 [1,1,0,0,0,0|1,0,1]=4 12177 B12R0.234 C=CCCCCCCCCN(C)C 269982a_100102631434_100011933949 [1,1,0,0,0,0|1,0,1]=4 12178 B12R0.234 C=CCCCCCCCNC(C)C 2230a_100138425928_100012355270 [1,1,0,0,0,0|1,0,1]=4 12179 B12R0.234 C=CCCCCCCCNC(C)C 34a_100138425928_100012355270 [1,1,0,0,0,0|1,0,1]=4 12180 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000212225_100012355270 [1,1,0,0,0,0|1,0,1]=4 12181 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000730831_100000210206 [1,1,0,0,0,0|1,0,1]=4 12182 B12R0.234 C=CCCCCCCCOC(C)C 7a_100000730831_100000210206 [1,1,0,0,0,0|1,0,1]=4 12183 B12R0.234 C=CCCCCCCCSC(C)C 62a_100000210206_100012355270 [1,1,0,0,0,0|1,0,1]=4 12184 B12R0.234 C=CCCCCCCCSC(C)C 62a_100012355270_100000210206 [1,1,0,0,0,0|1,0,1]=4 12185 B12R0.234 C=CCCCCCCNCC(C)C 2230a_100000210953_100011215473 [1,1,0,0,0,0|1,0,1]=4 12186 B12R0.234 C=CCCCCCCNCC(C)C 34a_100000210953_100011215473 [1,1,0,0,0,0|1,0,1]=4 12187 B12R0.234 C=CCCCCCCNCC(C)O 2230a_100000210904_100011215473 [1,1,0,0,0,0|1,0,1]=4 12188 B12R0.234 C=CCCCCCCNCC(C)O 34a_100000210904_100011215473 [1,1,0,0,0,0|1,0,1]=4 12189 B12R0.234 C=CCCCCCCOCC(C)Br 34a_100012180447_100011215473 [1,1,0,0,0,0|1,0,1]=4 12190 B12R0.234 C=CCCCCCCOCC(C)C 34a_100000210257_100011215473 [1,1,0,0,0,0|1,0,1]=4 12191 B12R0.234 C=CCCCCCCOCC(C)C 34a_200011216477_100000210624 [1,1,0,0,0,0|1,0,1]=4 12192 B12R0.234 C=CCCCCCCOCC(C)C 7a_200011216477_100000210760 [1,1,0,0,0,0|1,0,1]=4 12193 B12R0.234 C=CCCCCCCOCC(C)F 34a_100015925927_100011215473 [1,1,0,0,0,0|1,0,1]=4 12194 B12R0.234 C=CCCCCCCOCC(C)O 34a_200011216477_100011218427 [1,1,0,0,0,0|1,0,1]=4 12195 B12R0.234 C=CCCCCCCOCC(C)O 7a_200011216477_100011218427 [1,1,0,0,0,0|1,0,1]=4 12196 B12R0.234 C=CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011215473 [1,1,0,0,0,0|1,0,1]=4 12197 B12R0.234 C=CCCCCCCOC[C@@H](C)N 34a_100000737577_100011215473 [1,1,0,0,0,0|1,0,1]=4 12198 B12R0.234 C=CCCCCCCOC[C@@H](C)O 34a_200011216477_100009817552 [1,1,0,0,0,0|1,0,1]=4 12199 B12R0.234 C=CCCCCCCOC[C@@H](C)O 7a_200011216477_100009817552 [1,1,0,0,0,0|1,0,1]=4 12200 B12R0.234 C=CCCCCCCSCC(C)C 62a_100000210624_100011215473 [1,1,0,0,0,0|1,0,1]=4 12201 B12R0.234 C=CCCCCCCSCC(C)C 62a_100011215473_100000210760 [1,1,0,0,0,0|1,0,1]=4 12202 B12R0.234 C=CCCCCCCSCC(C)O 62a_100011215473_100011218427 [1,1,0,0,0,0|1,0,1]=4 12203 B12R0.234 C=CCCCCCCSCC(C)O 62a_100011218427_100011215473 [1,1,0,0,0,0|1,0,1]=4 12204 B12R0.234 C=CCCCCCCSC[C@@H](C)O 62a_100009817552_100011215473 [1,1,0,0,0,0|1,0,1]=4 12205 B12R0.234 C=CCCCCCCSC[C@@H](C)O 62a_100011215473_100009817552 [1,1,0,0,0,0|1,0,1]=4 12206 B12R0.234 C=CCCCCCNCCC(C)O 2230a_200000755665_100000700193 [1,1,0,0,0,0|1,0,1]=4 12207 B12R0.234 C=CCCCCCOCCC(C)Br 34a_100009893172_100000700193 [1,1,0,0,0,0|1,0,1]=4 12208 B12R0.234 C=CCCCCCOCCC(C)C 34a_100000210254_100000700193 [1,1,0,0,0,0|1,0,1]=4 12209 B12R0.234 C=CCCCCCOCCC(C)C 34a_100011216702_100000210312 [1,1,0,0,0,0|1,0,1]=4 12210 B12R0.234 C=CCCCCCOCCC(C)C 7a_100000210254_100000700193 [1,1,0,0,0,0|1,0,1]=4 12211 B12R0.234 C=CCCCCCOCCC(C)C 7a_100011216702_100000210626 [1,1,0,0,0,0|1,0,1]=4 12212 B12R0.234 C=CCCCCCOCCC(C)O 34a_100011216702_100012276601 [1,1,0,0,0,0|1,0,1]=4 12213 B12R0.234 C=CCCCCCOCCC(C)O 7a_100011216702_100012276601 [1,1,0,0,0,0|1,0,1]=4 12214 B12R0.234 C=CCCCCCOCC[C@@H](C)N 34a_100000706166_100000700193 [1,1,0,0,0,0|1,0,1]=4 12215 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000210312_100000700193 [1,1,0,0,0,0|1,0,1]=4 12216 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000700193_100000210312 [1,1,0,0,0,0|1,0,1]=4 12217 B12R0.234 C=CCCCCCSCCC(C)O 62a_100000700193_100012276601 [1,1,0,0,0,0|1,0,1]=4 12218 B12R0.234 C=CCCCCCSCCC(C)O 62a_100012276601_100000700193 [1,1,0,0,0,0|1,0,1]=4 12219 B12R0.234 C=CCCCCNCCCC(C)C 2230a_100000703577_100011214892 [1,1,0,0,0,0|1,0,1]=4 12220 B12R0.234 C=CCCCCNCCCC(C)C 2230a_200000737386_100011215482 [1,1,0,0,0,0|1,0,1]=4 12221 B12R0.234 C=CCCCCNCCCC(C)C 34a_100000703577_100011214892 [1,1,0,0,0,0|1,0,1]=4 12222 B12R0.234 C=CCCCCNCCCC(C)C 34a_200000737386_100011215482 [1,1,0,0,0,0|1,0,1]=4 12223 B12R0.234 C=CCCCCNCCCC(C)O 2230a_100000703577_200000718107 [1,1,0,0,0,0|1,0,1]=4 12224 B12R0.234 C=CCCCCNCCCC(C)O 34a_100000703577_200000718107 [1,1,0,0,0,0|1,0,1]=4 12225 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000210774_100011215482 [1,1,0,0,0,0|1,0,1]=4 12226 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000766645_100011214892 [1,1,0,0,0,0|1,0,1]=4 12227 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000210774_100011215482 [1,1,0,0,0,0|1,0,1]=4 12228 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000766645_100011214892 [1,1,0,0,0,0|1,0,1]=4 12229 B12R0.234 C=CCCCCOCCCC(C)O 34a_100000766645_200000718107 [1,1,0,0,0,0|1,0,1]=4 12230 B12R0.234 C=CCCCCOCCCC(C)O 7a_100000766645_200000718107 [1,1,0,0,0,0|1,0,1]=4 12231 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011214892_100011215482 [1,1,0,0,0,0|1,0,1]=4 12232 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011215482_100011214892 [1,1,0,0,0,0|1,0,1]=4 12233 B12R0.234 C=CCCCCSCCCC(C)O 62a_100011215482_200000718107 [1,1,0,0,0,0|1,0,1]=4 12234 B12R0.234 C=CCCCCSCCCC(C)O 62a_200000718107_100011215482 [1,1,0,0,0,0|1,0,1]=4 12235 B12R0.234 C=CCCCNCCCCC(C)C 2230a_100000700776_100011216152 [1,1,0,0,0,0|1,0,1]=4 12236 B12R0.234 C=CCCCNCCCCC(C)C 34a_100000700776_100011216152 [1,1,0,0,0,0|1,0,1]=4 12237 B12R0.234 C=CCCCOCCCCC(C)C 34a_100000758997_100011216152 [1,1,0,0,0,0|1,0,1]=4 12238 B12R0.234 C=CCCCOCCCCC(C)C 34a_100011214890_100000757094 [1,1,0,0,0,0|1,0,1]=4 12239 B12R0.234 C=CCCCOCCCCC(C)C 7a_100000758997_100011216152 [1,1,0,0,0,0|1,0,1]=4 12240 B12R0.234 C=CCCCOCCCCC(C)C 7a_100011214890_100000757094 [1,1,0,0,0,0|1,0,1]=4 12241 B12R0.234 C=CCCCSCCCCC(C)C 62a_100011216152_100000757094 [1,1,0,0,0,0|1,0,1]=4 12242 B12R0.234 C=CCCCSCCCCC(C)C 62a_100011713584_100011216152 [1,1,0,0,0,0|1,0,1]=4 12243 B12R0.234 C=CCCNCCCCCC(C)C 2230a_100011290863_100000754431 [1,1,0,0,0,0|1,0,1]=4 12244 B12R0.234 C=CCCNCCCCCC(C)C 2230a_100015191253_100000210682 [1,1,0,0,0,0|1,0,1]=4 12245 B12R0.234 C=CCCNCCCCCC(C)C 34a_100011290863_100000754431 [1,1,0,0,0,0|1,0,1]=4 12246 B12R0.234 C=CCCOCCCCCC(C)C 34a_100011205117_100000210682 [1,1,0,0,0,0|1,0,1]=4 12247 B12R0.234 C=CCCOCCCCCC(C)C 34a_100011995859_100000754431 [1,1,0,0,0,0|1,0,1]=4 12248 B12R0.234 C=CCCOCCCCCC(C)C 7a_100011995859_100000754431 [1,1,0,0,0,0|1,0,1]=4 12249 B12R0.234 C=CCCSCCCCCC(C)C 62a_100000210682_100000754431 [1,1,0,0,0,0|1,0,1]=4 12250 B12R0.234 C=CCCSCCCCCC(C)C 62a_100000754431_100000210682 [1,1,0,0,0,0|1,0,1]=4 12251 B12R0.234 C=CCNCCCCCCC(C)C 2230a_100000211014_100000210623 [1,1,0,0,0,0|1,0,1]=4 12252 B12R0.234 C=CCNCCCCCCC(C)C 34a_100000211014_100015514636 [1,1,0,0,0,0|1,0,1]=4 12253 B12R0.234 CC#CCCCCCCCC(=O)C 1458a_100000066323_200000210301 [1,1,0,0,0,0|0,0,2]=4 12254 B12R0.234 CC#CCCCCCCCC(=O)[13CH3] 1458a_100000066323_200025704644 [1,1,0,0,0,0|0,0,2]=4 12255 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [1,1,0,0,0,0|1,0,0]=3 12256 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [1,1,0,0,0,0|1,0,0]=3 12257 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [1,1,0,0,0,0|2,0,0]=4 12258 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [1,1,0,0,0,0|2,0,0]=4 12259 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [1,1,0,0,0,0|2,0,0]=4 12260 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [1,1,0,0,0,0|2,0,0]=4 12261 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [1,1,0,0,0,0|2,0,0]=4 12262 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [1,1,0,0,0,0|2,0,0]=4 12263 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [1,1,0,0,0,0|2,0,0]=4 12264 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [1,1,0,0,0,0|2,0,0]=4 12265 B12R0.234 CC(=O)CCCCSCCCC=O 62a_100000735457_200011292268 [1,1,0,0,0,0|1,0,1]=4 12266 B12R0.234 CC(=O)CCCCSCCCC=O 62a_200011292268_100000735457 [1,1,0,0,0,0|1,0,1]=4 12267 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [1,1,0,0,0,0|2,0,0]=4 12268 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [1,1,0,0,0,0|2,0,0]=4 12269 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [1,1,0,0,0,0|2,0,0]=4 12270 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [1,1,0,0,0,0|2,0,0]=4 12271 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [1,1,0,0,0,0|2,0,0]=4 12272 B12R0.234 CC(=O)CCCOCCCCC=O 7a_100000759063_100000139335 [1,1,0,0,0,0|1,0,1]=4 12273 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [1,1,0,0,0,0|2,0,0]=4 12274 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [1,1,0,0,0,0|2,0,0]=4 12275 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [1,1,0,0,0,0|2,0,0]=4 12276 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [1,1,0,0,0,0|2,0,0]=4 12277 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [1,1,0,0,0,0|2,0,0]=4 12278 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [1,1,0,0,0,0|2,0,0]=4 12279 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [1,1,0,0,0,0|2,0,0]=4 12280 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [1,1,0,0,0,0|2,0,0]=4 12281 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [1,1,0,0,0,0|2,0,0]=4 12282 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [1,1,0,0,0,0|2,0,0]=4 12283 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [1,1,0,0,0,0|2,0,0]=4 12284 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100000139335_100011215641 [1,1,0,0,0,0|1,0,1]=4 12285 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100011215641_100000139335 [1,1,0,0,0,0|1,0,1]=4 12286 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [1,1,0,0,0,0|2,0,0]=4 12287 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [1,1,0,0,0,0|2,0,0]=4 12288 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [1,1,0,0,0,0|2,0,0]=4 12289 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [1,1,0,0,0,0|2,0,0]=4 12290 B12R0.234 CC(=O)CCOCCCCCC=O 7a_100000759926_100000139337 [1,1,0,0,0,0|1,0,1]=4 12291 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [1,1,0,0,0,0|2,0,0]=4 12292 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [1,1,0,0,0,0|2,0,0]=4 12293 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [1,1,0,0,0,0|2,0,0]=4 12294 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [1,1,0,0,0,0|2,0,0]=4 12295 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [1,1,0,0,0,0|2,0,0]=4 12296 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [1,1,0,0,0,0|2,0,0]=4 12297 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [1,1,0,0,0,0|2,0,0]=4 12298 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000053229_100000139337 [1,1,0,0,0,0|1,0,1]=4 12299 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000139337_100000053229 [1,1,0,0,0,0|1,0,1]=4 12300 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [1,1,0,0,0,0|2,0,0]=4 12301 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [1,1,0,0,0,0|2,0,0]=4 12302 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [1,1,0,0,0,0|2,0,0]=4 12303 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [1,1,0,0,0,0|2,0,0]=4 12304 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [1,1,0,0,0,0|2,0,0]=4 12305 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [1,1,0,0,0,0|2,0,0]=4 12306 B12R0.234 CC(Br)CCOCCCCCCF 34a_100009893172_100015922095 [1,1,0,0,0,0|2,0,0]=4 12307 B12R0.234 CC(Br)CCOCCCCCCO 34a_100009893172_100000766143 [1,1,0,0,0,0|1,0,1]=4 12308 B12R0.234 CC(Br)COCCCCCCCO 34a_100012180447_100000760002 [1,1,0,0,0,0|1,0,1]=4 12309 B12R0.234 CC(C)CCCCCCCOCF 34a_200000210741_100015361967 [1,1,0,0,0,0|2,0,0]=4 12310 B12R0.234 CC(C)CCCCCCCOCF 7a_200000210741_100015361967 [1,1,0,0,0,0|2,0,0]=4 12311 B12R0.234 CC(C)CCCCCCNCC=O 2230a_100000211014_200015260668 [1,1,0,0,0,0|1,0,0]=3 12312 B12R0.234 CC(C)CCCCCCNCC=O 34a_100000211014_200009817547 [1,1,0,0,0,0|1,0,0]=3 12313 B12R0.234 CC(C)CCCCCCNCCF 2230a_100000211014_100011217306 [1,1,0,0,0,0|2,0,0]=4 12314 B12R0.234 CC(C)CCCCCCNCCF 34a_100000211014_100011217306 [1,1,0,0,0,0|2,0,0]=4 12315 B12R0.234 CC(C)CCCCCCNCCO 2230a_100000211014_100000211926 [1,1,0,0,0,0|1,0,1]=4 12316 B12R0.234 CC(C)CCCCCCNCCO 34a_100000211014_100000211926 [1,1,0,0,0,0|1,0,1]=4 12317 B12R0.234 CC(C)CCCCCNCCCF 2230a_100011290863_100011934791 [1,1,0,0,0,0|2,0,0]=4 12318 B12R0.234 CC(C)CCCCCNCCCF 2230a_100015189416_100000210682 [1,1,0,0,0,0|2,0,0]=4 12319 B12R0.234 CC(C)CCCCCNCCCF 34a_100011290863_100011934791 [1,1,0,0,0,0|2,0,0]=4 12320 B12R0.234 CC(C)CCCCCNCCCF 34a_100015189416_100000210682 [1,1,0,0,0,0|2,0,0]=4 12321 B12R0.234 CC(C)CCCCCNCCCO 2230a_100011290863_100000230001 [1,1,0,0,0,0|1,0,1]=4 12322 B12R0.234 CC(C)CCCCCNCCCO 34a_100011290863_100000230001 [1,1,0,0,0,0|1,0,1]=4 12323 B12R0.234 CC(C)CCCCCOCCCBr 34a_100011217188_100000210682 [1,1,0,0,0,0|2,0,0]=4 12324 B12R0.234 CC(C)CCCCCOCCCCl 34a_100000230001_100000210682 [1,1,0,0,0,0|2,0,0]=4 12325 B12R0.234 CC(C)CCCCCOCCCF 34a_100000759539_100000210682 [1,1,0,0,0,0|2,0,0]=4 12326 B12R0.234 CC(C)CCCCCOCCCF 34a_100011995859_100011934791 [1,1,0,0,0,0|2,0,0]=4 12327 B12R0.234 CC(C)CCCCCOCCCF 7a_100011995859_100011934791 [1,1,0,0,0,0|2,0,0]=4 12328 B12R0.234 CC(C)CCCCCOCCCN 34a_100000182051_100000210682 [1,1,0,0,0,0|2,0,0]=4 12329 B12R0.234 CC(C)CCCCCOCCCO 34a_100011995859_100000230001 [1,1,0,0,0,0|1,0,1]=4 12330 B12R0.234 CC(C)CCCCCOCCCO 7a_100011995859_100011215043 [1,1,0,0,0,0|1,0,1]=4 12331 B12R0.234 CC(C)CCCCCSCCCF 62a_100000210682_100011934791 [1,1,0,0,0,0|2,0,0]=4 12332 B12R0.234 CC(C)CCCCCSCCCF 62a_100011934791_100000210682 [1,1,0,0,0,0|2,0,0]=4 12333 B12R0.234 CC(C)CCCCCSCCCO 62a_100000210682_100011215043 [1,1,0,0,0,0|1,0,1]=4 12334 B12R0.234 CC(C)CCCCCSCCCO 62a_100011215043_100000210682 [1,1,0,0,0,0|1,0,1]=4 12335 B12R0.234 CC(C)CCCCNCCCCO 2230a_100000750430_100011216152 [1,1,0,0,0,0|1,0,1]=4 12336 B12R0.234 CC(C)CCCCNCCCCO 34a_100000750430_100011216152 [1,1,0,0,0,0|1,0,1]=4 12337 B12R0.234 CC(C)CCCCOCCCC=O 7a_100011214890_200011292268 [1,1,0,0,0,0|1,0,0]=3 12338 B12R0.234 CC(C)CCCCOCCCCBr 34a_100011216708_100011216152 [1,1,0,0,0,0|2,0,0]=4 12339 B12R0.234 CC(C)CCCCOCCCCCl 34a_100000210776_100011216152 [1,1,0,0,0,0|2,0,0]=4 12340 B12R0.234 CC(C)CCCCOCCCCCl 7a_100000210776_100011216152 [1,1,0,0,0,0|2,0,0]=4 12341 B12R0.234 CC(C)CCCCOCCCCF 34a_100011214890_100000729493 [1,1,0,0,0,0|2,0,0]=4 12342 B12R0.234 CC(C)CCCCOCCCCF 34a_100011995726_100011216152 [1,1,0,0,0,0|2,0,0]=4 12343 B12R0.234 CC(C)CCCCOCCCCF 7a_100011214890_100000729493 [1,1,0,0,0,0|2,0,0]=4 12344 B12R0.234 CC(C)CCCCOCCCCF 7a_100011995726_100011216152 [1,1,0,0,0,0|2,0,0]=4 12345 B12R0.234 CC(C)CCCCOCCCCI 34a_200012148704_100011216152 [1,1,0,0,0,0|2,0,0]=4 12346 B12R0.234 CC(C)CCCCOCCCCN 34a_100000750430_100011216152 [1,1,0,0,0,0|2,0,0]=4 12347 B12R0.234 CC(C)CCCCOCCCCO 34a_100011214890_100011216708 [1,1,0,0,0,0|1,0,1]=4 12348 B12R0.234 CC(C)CCCCOCCCCO 7a_100011214890_100000210776 [1,1,0,0,0,0|1,0,1]=4 12349 B12R0.234 CC(C)CCCCSCCCC=O 62a_100011216152_200011292268 [1,1,0,0,0,0|1,0,0]=3 12350 B12R0.234 CC(C)CCCCSCCCC=O 62a_200011292268_100011216152 [1,1,0,0,0,0|1,0,0]=3 12351 B12R0.234 CC(C)CCCCSCCCCF 62a_100000729493_100011216152 [1,1,0,0,0,0|2,0,0]=4 12352 B12R0.234 CC(C)CCCCSCCCCF 62a_100011216152_100000729493 [1,1,0,0,0,0|2,0,0]=4 12353 B12R0.234 CC(C)CCCCSCCCCO 62a_100000210776_100011216152 [1,1,0,0,0,0|1,0,1]=4 12354 B12R0.234 CC(C)CCCCSCCCCO 62a_100011216152_100000210776 [1,1,0,0,0,0|1,0,1]=4 12355 B12R0.234 CC(C)CCCNCCCCC=O 2230a_200000737386_100000139335 [1,1,0,0,0,0|1,0,0]=3 12356 B12R0.234 CC(C)CCCNCCCCCF 2230a_200000737386_100000729378 [1,1,0,0,0,0|2,0,0]=4 12357 B12R0.234 CC(C)CCCNCCCCCF 34a_200000737386_100000729378 [1,1,0,0,0,0|2,0,0]=4 12358 B12R0.234 CC(C)CCCNCCCCCO 2230a_100000762737_100011214892 [1,1,0,0,0,0|1,0,1]=4 12359 B12R0.234 CC(C)CCCNCCCCCO 2230a_200000737386_100000746330 [1,1,0,0,0,0|1,0,1]=4 12360 B12R0.234 CC(C)CCCNCCCCCO 34a_100000762737_100011214892 [1,1,0,0,0,0|1,0,1]=4 12361 B12R0.234 CC(C)CCCNCCCCCO 34a_200000737386_100000746330 [1,1,0,0,0,0|1,0,1]=4 12362 B12R0.234 CC(C)CCCOCCCCC=O 7a_100000210774_100000139335 [1,1,0,0,0,0|1,0,0]=3 12363 B12R0.234 CC(C)CCCOCCCCCBr 34a_100000746331_100011214892 [1,1,0,0,0,0|2,0,0]=4 12364 B12R0.234 CC(C)CCCOCCCCCBr 7a_100000746331_100011214892 [1,1,0,0,0,0|2,0,0]=4 12365 B12R0.234 CC(C)CCCOCCCCCCl 34a_100000746330_100011214892 [1,1,0,0,0,0|2,0,0]=4 12366 B12R0.234 CC(C)CCCOCCCCCCl 7a_100000746330_100011214892 [1,1,0,0,0,0|2,0,0]=4 12367 B12R0.234 CC(C)CCCOCCCCCF 34a_100000210774_100000729378 [1,1,0,0,0,0|2,0,0]=4 12368 B12R0.234 CC(C)CCCOCCCCCF 7a_100000210774_100000729378 [1,1,0,0,0,0|2,0,0]=4 12369 B12R0.234 CC(C)CCCOCCCCCI 34a_200012148887_100011214892 [1,1,0,0,0,0|2,0,0]=4 12370 B12R0.234 CC(C)CCCOCCCCCI 7a_200012148887_100011214892 [1,1,0,0,0,0|2,0,0]=4 12371 B12R0.234 CC(C)CCCOCCCCCN 34a_100000762737_100011214892 [1,1,0,0,0,0|2,0,0]=4 12372 B12R0.234 CC(C)CCCOCCCCCO 34a_100000210774_100000746330 [1,1,0,0,0,0|1,0,1]=4 12373 B12R0.234 CC(C)CCCOCCCCCO 7a_100000210774_100000746330 [1,1,0,0,0,0|1,0,1]=4 12374 B12R0.234 CC(C)CCCSCCCCC=O 62a_100000139335_100011214892 [1,1,0,0,0,0|1,0,0]=3 12375 B12R0.234 CC(C)CCCSCCCCC=O 62a_100011214892_100000139335 [1,1,0,0,0,0|1,0,0]=3 12376 B12R0.234 CC(C)CCCSCCCCCF 62a_100000729378_100011214892 [1,1,0,0,0,0|2,0,0]=4 12377 B12R0.234 CC(C)CCCSCCCCCF 62a_100011214892_100000729378 [1,1,0,0,0,0|2,0,0]=4 12378 B12R0.234 CC(C)CCCSCCCCCO 62a_100000746330_100011214892 [1,1,0,0,0,0|1,0,1]=4 12379 B12R0.234 CC(C)CCCSCCCCCO 62a_100011214892_100000746330 [1,1,0,0,0,0|1,0,1]=4 12380 B12R0.234 CC(C)CCNCCCCCCO 2230a_100000686447_100000210312 [1,1,0,0,0,0|1,0,1]=4 12381 B12R0.234 CC(C)CCNCCCCCCO 269862a_100000686447_100000185833 [1,1,0,0,0,0|1,0,1]=4 12382 B12R0.234 CC(C)CCNCCCCCCO 34a_100000686447_100000210312 [1,1,0,0,0,0|1,0,1]=4 12383 B12R0.234 CC(C)CCOCCCCCC=O 7a_100000210254_100000139337 [1,1,0,0,0,0|1,0,0]=3 12384 B12R0.234 CC(C)CCOCCCCCCBr 34a_100011215345_100000210312 [1,1,0,0,0,0|2,0,0]=4 12385 B12R0.234 CC(C)CCOCCCCCCBr 7a_100011215345_100000210626 [1,1,0,0,0,0|2,0,0]=4 12386 B12R0.234 CC(C)CCOCCCCCCCl 34a_100000766143_100000210312 [1,1,0,0,0,0|2,0,0]=4 12387 B12R0.234 CC(C)CCOCCCCCCCl 7a_100000766143_100000210626 [1,1,0,0,0,0|2,0,0]=4 12388 B12R0.234 CC(C)CCOCCCCCCF 34a_100000210254_100015922095 [1,1,0,0,0,0|2,0,0]=4 12389 B12R0.234 CC(C)CCOCCCCCCF 34a_100000732779_100000210312 [1,1,0,0,0,0|2,0,0]=4 12390 B12R0.234 CC(C)CCOCCCCCCF 7a_100000210254_100015922095 [1,1,0,0,0,0|2,0,0]=4 12391 B12R0.234 CC(C)CCOCCCCCCF 7a_100000732779_100000210626 [1,1,0,0,0,0|2,0,0]=4 12392 B12R0.234 CC(C)CCOCCCCCCN 34a_100000686447_100000210312 [1,1,0,0,0,0|2,0,0]=4 12393 B12R0.234 CC(C)CCOCCCCCCO 34a_100000210254_100000766143 [1,1,0,0,0,0|1,0,1]=4 12394 B12R0.234 CC(C)CCOCCCCCCO 7a_100000210254_100000766143 [1,1,0,0,0,0|1,0,1]=4 12395 B12R0.234 CC(C)CCSCCCCCC=O 62a_100000139337_100000210312 [1,1,0,0,0,0|1,0,0]=3 12396 B12R0.234 CC(C)CCSCCCCCC=O 62a_100000210312_100000139337 [1,1,0,0,0,0|1,0,0]=3 12397 B12R0.234 CC(C)CCSCCCCCCF 62a_100000210312_100015922095 [1,1,0,0,0,0|2,0,0]=4 12398 B12R0.234 CC(C)CCSCCCCCCF 62a_100015922095_100000210312 [1,1,0,0,0,0|2,0,0]=4 12399 B12R0.234 CC(C)CCSCCCCCCO 62a_100000210312_100000766143 [1,1,0,0,0,0|1,0,1]=4 12400 B12R0.234 CC(C)CCSCCCCCCO 62a_100000766143_100000210312 [1,1,0,0,0,0|1,0,1]=4 12401 B12R0.234 CC(C)CNCCCCCCCO 2230a_100000210953_100000760002 [1,1,0,0,0,0|1,0,1]=4 12402 B12R0.234 CC(C)CNCCCCCCCO 2230a_100011996573_100000210760 [1,1,0,0,0,0|1,0,1]=4 12403 B12R0.234 CC(C)CNCCCCCCCO 270004a_100011996573_100000210432 [1,1,0,0,0,0|1,0,1]=4 12404 B12R0.234 CC(C)CNCCCCCCCO 34a_100000210953_100000760002 [1,1,0,0,0,0|1,0,1]=4 12405 B12R0.234 CC(C)CNCCCCCCCO 34a_100011996573_100000210624 [1,1,0,0,0,0|1,0,1]=4 12406 B12R0.234 CC(C)COCCCCCCCBr 34a_100000760002_100000210624 [1,1,0,0,0,0|2,0,0]=4 12407 B12R0.234 CC(C)COCCCCCCCBr 7a_100000760002_100000210760 [1,1,0,0,0,0|2,0,0]=4 12408 B12R0.234 CC(C)COCCCCCCCN 34a_100011996573_100000210624 [1,1,0,0,0,0|2,0,0]=4 12409 B12R0.234 CC(C)COCCCCCCCO 34a_100000210257_100000760002 [1,1,0,0,0,0|1,0,1]=4 12410 B12R0.234 CC(C)COCCOCCCC=O 7a_100000703358_200011292268 [1,1,0,0,0,0|2,0,0]=4 12411 B12R0.234 CC(C)CSCCCCCCCO 62a_100000210624_100000760002 [1,1,0,0,0,0|1,0,1]=4 12412 B12R0.234 CC(C)CSCCCCCCCO 62a_100000760002_100000210760 [1,1,0,0,0,0|1,0,1]=4 12413 B12R0.234 CC(C)CSCCOCCCC=O 7a_200000230437_200011292268 [1,1,0,0,0,0|2,0,0]=4 12414 B12R0.234 CC(C)NCCCCCCCCO 2230a_100138425928_100000033203 [1,1,0,0,0,0|1,0,1]=4 12415 B12R0.234 CC(C)NCCCCCCCCO 2230a_102515433106_100000210206 [1,1,0,0,0,0|1,0,1]=4 12416 B12R0.234 CC(C)NCCCCCCCCO 34a_100138425928_100000033203 [1,1,0,0,0,0|1,0,1]=4 12417 B12R0.234 CC(C)NCCCCCCCCO 34a_102515433106_100000210206 [1,1,0,0,0,0|1,0,1]=4 12418 B12R0.234 CC(C)NCCCCCOCC=O 34a_100011629493_200009817547 [1,1,0,0,0,0|2,0,0]=4 12419 B12R0.234 CC(C)OCCCCCCCCBr 34a_100009813846_100000210206 [1,1,0,0,0,0|2,0,0]=4 12420 B12R0.234 CC(C)OCCCCCCCCBr 7a_100009813846_100000210206 [1,1,0,0,0,0|2,0,0]=4 12421 B12R0.234 CC(C)OCCCCCCCCCl 34a_100000033203_100000210206 [1,1,0,0,0,0|2,0,0]=4 12422 B12R0.234 CC(C)OCCCCCCCCCl 7a_100000033203_100000210206 [1,1,0,0,0,0|2,0,0]=4 12423 B12R0.234 CC(C)OCCCCCCCCN 34a_102515433106_100000210206 [1,1,0,0,0,0|2,0,0]=4 12424 B12R0.234 CC(C)OCCCCCCCCO 34a_100000212225_100000033203 [1,1,0,0,0,0|1,0,1]=4 12425 B12R0.234 CC(C)OCCCNCCCC=O 2230a_100000737246_200011292268 [1,1,0,0,0,0|2,0,0]=4 12426 B12R0.234 CC(C)OCCNCCCCC=O 2230a_100000701111_100000139335 [1,1,0,0,0,0|2,0,0]=4 12427 B12R0.234 CC(C)OCCOCCCCC=O 7a_100000211219_100000139335 [1,1,0,0,0,0|2,0,0]=4 12428 B12R0.234 CC(C)OCCSCCCCC=O 62a_100000139335_100000211751 [1,1,0,0,0,0|2,0,0]=4 12429 B12R0.234 CC(C)OCCSCCCCC=O 62a_100000211751_100000139335 [1,1,0,0,0,0|2,0,0]=4 12430 B12R0.234 CC(C)OCSCCCCCC=O 62a_100000139337_100000709892 [1,1,0,0,0,0|2,0,0]=4 12431 B12R0.234 CC(C)OCSCCCCCC=O 62a_100000709892_100000139337 [1,1,0,0,0,0|2,0,0]=4 12432 B12R0.234 CC(C)SCCCCCCCCO 62a_100000033203_100000210206 [1,1,0,0,0,0|1,0,1]=4 12433 B12R0.234 CC(C)SCCCCCCCCO 62a_100000210206_100000033203 [1,1,0,0,0,0|1,0,1]=4 12434 B12R0.234 CC(C)SCCNCCCCC=O 2230a_100000731138_100000139335 [1,1,0,0,0,0|2,0,0]=4 12435 B12R0.234 CC(C)SCCOCCCCC=O 7a_200011212901_100000139335 [1,1,0,0,0,0|2,0,0]=4 12436 B12R0.234 CC(C)SCCSCCCCC=O 62a_100000139335_100000730970 [1,1,0,0,0,0|2,0,0]=4 12437 B12R0.234 CC(C)SCCSCCCCC=O 62a_100000730970_100000139335 [1,1,0,0,0,0|2,0,0]=4 12438 B12R0.234 CC(F)COCCCCCCCO 34a_100015925927_100000760002 [1,1,0,0,0,0|1,0,1]=4 12439 B12R0.234 CC(O)CCCNCCCCCO 2230a_100000762737_200000718107 [1,1,0,0,0,0|1,0,1]=4 12440 B12R0.234 CC(O)CCCNCCCCCO 34a_100000762737_200000718107 [1,1,0,0,0,0|1,0,1]=4 12441 B12R0.234 CC(O)CCCOCCCCCBr 34a_100000746331_200000718107 [1,1,0,0,0,0|2,0,0]=4 12442 B12R0.234 CC(O)CCCOCCCCCBr 7a_100000746331_200000718107 [1,1,0,0,0,0|2,0,0]=4 12443 B12R0.234 CC(O)CCCOCCCCCCl 34a_100000746330_200000718107 [1,1,0,0,0,0|2,0,0]=4 12444 B12R0.234 CC(O)CCCOCCCCCCl 7a_100000746330_200000718107 [1,1,0,0,0,0|2,0,0]=4 12445 B12R0.234 CC(O)CCCOCCCCCI 34a_200012148887_200000718107 [1,1,0,0,0,0|2,0,0]=4 12446 B12R0.234 CC(O)CCCOCCCCCI 7a_200012148887_200000718107 [1,1,0,0,0,0|2,0,0]=4 12447 B12R0.234 CC(O)CCCOCCCCCN 34a_100000762737_200000718107 [1,1,0,0,0,0|2,0,0]=4 12448 B12R0.234 CC(O)CCCSCCCCC=O 62a_100000139335_200000718107 [1,1,0,0,0,0|1,0,0]=3 12449 B12R0.234 CC(O)CCCSCCCCC=O 62a_200000718107_100000139335 [1,1,0,0,0,0|1,0,0]=3 12450 B12R0.234 CC(O)CCCSCCCCCF 62a_100000729378_200000718107 [1,1,0,0,0,0|2,0,0]=4 12451 B12R0.234 CC(O)CCCSCCCCCF 62a_200000718107_100000729378 [1,1,0,0,0,0|2,0,0]=4 12452 B12R0.234 CC(O)CCCSCCCCCO 62a_100000746330_200000718107 [1,1,0,0,0,0|1,0,1]=4 12453 B12R0.234 CC(O)CCCSCCCCCO 62a_200000718107_100000746330 [1,1,0,0,0,0|1,0,1]=4 12454 B12R0.234 CC(O)CCNCCCCCC=O 2230a_200000755665_100000139337 [1,1,0,0,0,0|1,0,0]=3 12455 B12R0.234 CC(O)CCNCCCCCCF 2230a_200000755665_100015922095 [1,1,0,0,0,0|2,0,0]=4 12456 B12R0.234 CC(O)CCNCCCCCCO 2230a_100000686447_100012276601 [1,1,0,0,0,0|1,0,1]=4 12457 B12R0.234 CC(O)CCNCCCCCCO 2230a_200000755665_100000766143 [1,1,0,0,0,0|1,0,1]=4 12458 B12R0.234 CC(O)CCNCCCCCCO 34a_100000686447_100012276601 [1,1,0,0,0,0|1,0,1]=4 12459 B12R0.234 CC(O)CCOCCCCCCBr 34a_100011215345_100012276601 [1,1,0,0,0,0|2,0,0]=4 12460 B12R0.234 CC(O)CCOCCCCCCBr 7a_100011215345_100012276601 [1,1,0,0,0,0|2,0,0]=4 12461 B12R0.234 CC(O)CCOCCCCCCCl 34a_100000766143_100012276601 [1,1,0,0,0,0|2,0,0]=4 12462 B12R0.234 CC(O)CCOCCCCCCCl 7a_100000766143_100012276601 [1,1,0,0,0,0|2,0,0]=4 12463 B12R0.234 CC(O)CCOCCCCCCF 34a_100000732779_100012276601 [1,1,0,0,0,0|2,0,0]=4 12464 B12R0.234 CC(O)CCOCCCCCCF 7a_100000732779_100012276601 [1,1,0,0,0,0|2,0,0]=4 12465 B12R0.234 CC(O)CCOCCCCCCN 34a_100000686447_100012276601 [1,1,0,0,0,0|2,0,0]=4 12466 B12R0.234 CC(O)CCSCCCCCC=O 62a_100000139337_100012276601 [1,1,0,0,0,0|1,0,0]=3 12467 B12R0.234 CC(O)CCSCCCCCC=O 62a_100012276601_100000139337 [1,1,0,0,0,0|1,0,0]=3 12468 B12R0.234 CC(O)CCSCCCCCCF 62a_100012276601_100015922095 [1,1,0,0,0,0|2,0,0]=4 12469 B12R0.234 CC(O)CCSCCCCCCF 62a_100015922095_100012276601 [1,1,0,0,0,0|2,0,0]=4 12470 B12R0.234 CC(O)CCSCCCCCCO 62a_100000766143_100012276601 [1,1,0,0,0,0|1,0,1]=4 12471 B12R0.234 CC(O)CCSCCCCCCO 62a_100012276601_100000766143 [1,1,0,0,0,0|1,0,1]=4 12472 B12R0.234 CC(O)CNCCCCCCCO 2230a_100000210904_100000760002 [1,1,0,0,0,0|1,0,1]=4 12473 B12R0.234 CC(O)CNCCCCCCCO 2230a_100011996573_100011218427 [1,1,0,0,0,0|1,0,1]=4 12474 B12R0.234 CC(O)CNCCCCCCCO 34a_100000210904_100000760002 [1,1,0,0,0,0|1,0,1]=4 12475 B12R0.234 CC(O)CNCCCCCCCO 34a_100011996573_100011218427 [1,1,0,0,0,0|1,0,1]=4 12476 B12R0.234 CC(O)COCCCCCCCBr 34a_100000760002_100011218427 [1,1,0,0,0,0|2,0,0]=4 12477 B12R0.234 CC(O)COCCCCCCCBr 7a_100000760002_100011218427 [1,1,0,0,0,0|2,0,0]=4 12478 B12R0.234 CC(O)COCCCCCCCN 34a_100011996573_100011218427 [1,1,0,0,0,0|2,0,0]=4 12479 B12R0.234 CC(O)CSCCCCCCCO 62a_100000760002_100011218427 [1,1,0,0,0,0|1,0,1]=4 12480 B12R0.234 CC(O)CSCCCCCCCO 62a_100011218427_100000760002 [1,1,0,0,0,0|1,0,1]=4 12481 B12R0.234 CCC#CCCCCCCC(=O)C 1458a_100000070787_200000036426 [1,1,0,0,0,0|0,0,2]=4 12482 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [1,1,0,0,0,0|0,0,2]=4 12483 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [1,1,0,0,0,0|0,0,2]=4 12484 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [1,1,0,0,0,0|0,0,0]=2 12485 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [1,1,0,0,0,0|0,0,0]=2 12486 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [1,1,0,0,0,0|0,0,0]=2 12487 B12R0.234 CCCCCCCCCCN(C)C 2230a_100000207566_200000210301 [1,1,0,0,0,0|1,0,1]=4 12488 B12R0.234 CCCCCCCCCCN(C)C 2230a_100102631434_100000210320 [1,1,0,0,0,0|1,0,1]=4 12489 B12R0.234 CCCCCCCCCCN(C)C 269982a_100000207566_200000210301 [1,1,0,0,0,0|1,0,1]=4 12490 B12R0.234 CCCCCCCCCCN(C)C 269982a_100102631434_100000210320 [1,1,0,0,0,0|1,0,1]=4 12491 B12R0.234 CCCCCCCCCCN(C)[13CH3] 2230a_100000207566_200025704644 [1,1,0,0,0,0|1,0,1]=4 12492 B12R0.234 CCCCCCCCCCN(C)[13CH3] 269982a_100000207566_200025704644 [1,1,0,0,0,0|1,0,1]=4 12493 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [1,1,0,0,0,0|1,0,0]=3 12494 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [1,1,0,0,0,0|1,0,0]=3 12495 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [1,1,0,0,0,0|1,0,0]=3 12496 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [1,1,0,0,0,0|1,0,0]=3 12497 B12R0.234 CCCCCCCCCNC(C)C 2230a_100000212291_100000210206 [1,1,0,0,0,0|1,0,1]=4 12498 B12R0.234 CCCCCCCCCNC(C)C 2230a_100138425928_100011214924 [1,1,0,0,0,0|1,0,1]=4 12499 B12R0.234 CCCCCCCCCNC(C)C 34a_100000212291_100000210206 [1,1,0,0,0,0|1,0,1]=4 12500 B12R0.234 CCCCCCCCCNC(C)C 34a_100138425928_100011214924 [1,1,0,0,0,0|1,0,1]=4 12501 B12R0.234 CCCCCCCCCOC(C)C 34a_100000210712_100000210206 [1,1,0,0,0,0|1,0,1]=4 12502 B12R0.234 CCCCCCCCCOC(C)C 34a_100000212225_100011214924 [1,1,0,0,0,0|1,0,1]=4 12503 B12R0.234 CCCCCCCCCOC(C)C 7a_100000210712_100000210206 [1,1,0,0,0,0|1,0,1]=4 12504 B12R0.234 CCCCCCCCCSC(C)C 62a_100000210206_100000210670 [1,1,0,0,0,0|1,0,1]=4 12505 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [1,1,0,0,0,0|1,0,0]=3 12506 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [1,1,0,0,0,0|1,0,0]=3 12507 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [1,1,0,0,0,0|1,0,0]=3 12508 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [1,1,0,0,0,0|1,0,0]=3 12509 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [1,1,0,0,0,0|1,0,0]=3 12510 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000210953_100000210759 [1,1,0,0,0,0|1,0,1]=4 12511 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000229939_100000210760 [1,1,0,0,0,0|1,0,1]=4 12512 B12R0.234 CCCCCCCCNCC(C)C 270004a_100000229939_100000210432 [1,1,0,0,0,0|1,0,1]=4 12513 B12R0.234 CCCCCCCCNCC(C)C 34a_100000210953_100000210759 [1,1,0,0,0,0|1,0,1]=4 12514 B12R0.234 CCCCCCCCNCC(C)C 34a_100000229939_100000210624 [1,1,0,0,0,0|1,0,1]=4 12515 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000210904_100000210759 [1,1,0,0,0,0|1,0,1]=4 12516 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000229939_100011218427 [1,1,0,0,0,0|1,0,1]=4 12517 B12R0.234 CCCCCCCCNCC(C)O 34a_100000210904_100000210759 [1,1,0,0,0,0|1,0,1]=4 12518 B12R0.234 CCCCCCCCNCC(C)O 34a_100000229939_100011218427 [1,1,0,0,0,0|1,0,1]=4 12519 B12R0.234 CCCCCCCCNCC(F)F 2230a_100000229939_100011934356 [1,1,0,0,0,0|2,0,0]=4 12520 B12R0.234 CCCCCCCCNCC(F)F 34a_100000229939_100011934356 [1,1,0,0,0,0|2,0,0]=4 12521 B12R0.234 CCCCCCCCNCC(F)F 34a_100000765723_100000210759 [1,1,0,0,0,0|2,0,0]=4 12522 B12R0.234 CCCCCCCCNC[C@@H](C)O 2230a_100000229939_100009817552 [1,1,0,0,0,0|1,0,1]=4 12523 B12R0.234 CCCCCCCCNC[C@@H](C)O 34a_100000229939_100009817552 [1,1,0,0,0,0|1,0,1]=4 12524 B12R0.234 CCCCCCCCNC[N+](=O)[O-] 34a_100000229939_100000761209 [1,1,0,0,0,0|2,0,0]=4 12525 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [1,1,0,0,0,0|1,0,0]=3 12526 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [1,1,0,0,0,0|1,0,0]=3 12527 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [1,1,0,0,0,0|1,0,0]=3 12528 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [1,1,0,0,0,0|1,0,0]=3 12529 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [1,1,0,0,0,0|1,0,0]=3 12530 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [1,1,0,0,0,0|1,0,0]=3 12531 B12R0.234 CCCCCCCCOCC(C)Br 34a_100012180447_100000210759 [1,1,0,0,0,0|1,0,1]=4 12532 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210232_100000210624 [1,1,0,0,0,0|1,0,1]=4 12533 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210257_100000210759 [1,1,0,0,0,0|1,0,1]=4 12534 B12R0.234 CCCCCCCCOCC(C)C 7a_100000210232_100000210760 [1,1,0,0,0,0|1,0,1]=4 12535 B12R0.234 CCCCCCCCOCC(C)F 34a_100015925927_100000210759 [1,1,0,0,0,0|1,0,1]=4 12536 B12R0.234 CCCCCCCCOCC(C)O 34a_100000210232_100011218427 [1,1,0,0,0,0|1,0,1]=4 12537 B12R0.234 CCCCCCCCOCC(C)O 7a_100000210232_100011218427 [1,1,0,0,0,0|1,0,1]=4 12538 B12R0.234 CCCCCCCCOCC(F)F 34a_100000210232_100011934356 [1,1,0,0,0,0|2,0,0]=4 12539 B12R0.234 CCCCCCCCOCC(F)F 34a_100000743014_100000210759 [1,1,0,0,0,0|2,0,0]=4 12540 B12R0.234 CCCCCCCCOCC(F)F 7a_100000210232_100011934356 [1,1,0,0,0,0|2,0,0]=4 12541 B12R0.234 CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210759 [1,1,0,0,0,0|1,0,1]=4 12542 B12R0.234 CCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210759 [1,1,0,0,0,0|1,0,1]=4 12543 B12R0.234 CCCCCCCCOC[C@@H](C)O 34a_100000210232_100009817552 [1,1,0,0,0,0|1,0,1]=4 12544 B12R0.234 CCCCCCCCOC[C@@H](C)O 7a_100000210232_100009817552 [1,1,0,0,0,0|1,0,1]=4 12545 B12R0.234 CCCCCCCCOC[N+](=O)[O-] 34a_100000210232_100000761209 [1,1,0,0,0,0|2,0,0]=4 12546 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [1,1,0,0,0,0|1,0,0]=3 12547 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [1,1,0,0,0,0|1,0,0]=3 12548 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [1,1,0,0,0,0|1,0,0]=3 12549 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [1,1,0,0,0,0|1,0,0]=3 12550 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210624_100000210317 [1,1,0,0,0,0|1,0,1]=4 12551 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210759_100000210760 [1,1,0,0,0,0|1,0,1]=4 12552 B12R0.234 CCCCCCCCSCC(C)O 62a_100000210759_100011218427 [1,1,0,0,0,0|1,0,1]=4 12553 B12R0.234 CCCCCCCCSCC(C)O 62a_100011218427_100000210317 [1,1,0,0,0,0|1,0,1]=4 12554 B12R0.234 CCCCCCCCSCC(F)F 62a_100000210759_100011934356 [1,1,0,0,0,0|2,0,0]=4 12555 B12R0.234 CCCCCCCCSCC(F)F 62a_100011934356_100000210317 [1,1,0,0,0,0|2,0,0]=4 12556 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100000210759_100009817552 [1,1,0,0,0,0|1,0,1]=4 12557 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210317 [1,1,0,0,0,0|1,0,1]=4 12558 B12R0.234 CCCCCCCCSC[N+](=O)[O-] 62a_100000210759_100000761209 [1,1,0,0,0,0|2,0,0]=4 12559 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [1,1,0,0,0,0|1,0,0]=3 12560 B12R0.234 CCCCCCCNCCC(C)C 2230a_100000229938_100000210312 [1,1,0,0,0,0|1,0,1]=4 12561 B12R0.234 CCCCCCCNCCC(C)C 269862a_100000229938_100000185833 [1,1,0,0,0,0|1,0,1]=4 12562 B12R0.234 CCCCCCCNCCC(C)O 2230a_100000229938_100012276601 [1,1,0,0,0,0|1,0,1]=4 12563 B12R0.234 CCCCCCCNCCC(C)O 2230a_200000755665_100000210681 [1,1,0,0,0,0|1,0,1]=4 12564 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [1,1,0,0,0,0|2,0,0]=4 12565 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [1,1,0,0,0,0|1,0,0]=3 12566 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [1,1,0,0,0,0|1,0,0]=3 12567 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [1,1,0,0,0,0|1,0,0]=3 12568 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [1,1,0,0,0,0|1,0,0]=3 12569 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [1,1,0,0,0,0|1,0,0]=3 12570 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [1,1,0,0,0,0|1,0,0]=3 12571 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [1,1,0,0,0,0|1,0,0]=3 12572 B12R0.234 CCCCCCCOCCC(C)Br 34a_100009893172_100000210614 [1,1,0,0,0,0|1,0,1]=4 12573 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210254_100000210614 [1,1,0,0,0,0|1,0,1]=4 12574 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210272_100000210312 [1,1,0,0,0,0|1,0,1]=4 12575 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210254_100000210614 [1,1,0,0,0,0|1,0,1]=4 12576 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210272_100000210626 [1,1,0,0,0,0|1,0,1]=4 12577 B12R0.234 CCCCCCCOCCC(C)O 34a_100000210272_100012276601 [1,1,0,0,0,0|1,0,1]=4 12578 B12R0.234 CCCCCCCOCCC(C)O 7a_100000210272_100012276601 [1,1,0,0,0,0|1,0,1]=4 12579 B12R0.234 CCCCCCCOCCC(F)F 34a_100103093639_100000210614 [1,1,0,0,0,0|2,0,0]=4 12580 B12R0.234 CCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210614 [1,1,0,0,0,0|1,0,1]=4 12581 B12R0.234 CCCCCCCOCOC(=O)C 34a_100000210272_100009813279 [1,1,0,0,0,0|2,0,0]=4 12582 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [1,1,0,0,0,0|1,0,0]=3 12583 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [1,1,0,0,0,0|1,0,0]=3 12584 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [1,1,0,0,0,0|1,0,0]=3 12585 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [1,1,0,0,0,0|1,0,0]=3 12586 B12R0.234 CCCCCCCSCCC(C)C 62a_100000210312_100000210316 [1,1,0,0,0,0|1,0,1]=4 12587 B12R0.234 CCCCCCCSCCC(C)C 62a_100000210614_100000210312 [1,1,0,0,0,0|1,0,1]=4 12588 B12R0.234 CCCCCCCSCCC(C)O 62a_100000210614_100012276601 [1,1,0,0,0,0|1,0,1]=4 12589 B12R0.234 CCCCCCCSCCC(C)O 62a_100012276601_100000210316 [1,1,0,0,0,0|1,0,1]=4 12590 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000076356_100000210316 [1,1,0,0,0,0|2,0,0]=4 12591 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000210614_100000076356 [1,1,0,0,0,0|2,0,0]=4 12592 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [1,1,0,0,0,0|1,0,0]=3 12593 B12R0.234 CCCCCCNCCCC(C)C 2230a_100000210581_100011214892 [1,1,0,0,0,0|1,0,1]=4 12594 B12R0.234 CCCCCCNCCCC(C)C 2230a_200000737386_100000210314 [1,1,0,0,0,0|1,0,1]=4 12595 B12R0.234 CCCCCCNCCCC(C)C 34a_200000737386_100000210314 [1,1,0,0,0,0|1,0,1]=4 12596 B12R0.234 CCCCCCNCCCC(C)O 2230a_100000210581_200000718107 [1,1,0,0,0,0|1,0,1]=4 12597 B12R0.234 CCCCCCNCCCS(=O)C 2230a_200000753449_100000210314 [1,1,0,0,0,0|2,0,0]=4 12598 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000209853_100000210314 [1,1,0,0,0,0|2,0,0]=4 12599 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000210581_100000189650 [1,1,0,0,0,0|2,0,0]=4 12600 B12R0.234 CCCCCCNCCNC(=O)N 2230a_100000210581_200000034859 [1,1,0,0,0,0|2,0,0]=4 12601 B12R0.234 CCCCCCNCCNC(=O)N 34a_100020590234_100000210314 [1,1,0,0,0,0|2,0,0]=4 12602 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [1,1,0,0,0,0|1,0,0]=3 12603 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [1,1,0,0,0,0|1,0,0]=3 12604 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [1,1,0,0,0,0|1,0,0]=3 12605 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [1,1,0,0,0,0|1,0,0]=3 12606 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [1,1,0,0,0,0|1,0,0]=3 12607 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [1,1,0,0,0,0|1,0,0]=3 12608 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210259_100011214892 [1,1,0,0,0,0|1,0,1]=4 12609 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210774_100000210314 [1,1,0,0,0,0|1,0,1]=4 12610 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210259_100011214892 [1,1,0,0,0,0|1,0,1]=4 12611 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210774_100000210314 [1,1,0,0,0,0|1,0,1]=4 12612 B12R0.234 CCCCCCOCCCC(C)O 34a_100000210259_200000718107 [1,1,0,0,0,0|1,0,1]=4 12613 B12R0.234 CCCCCCOCCCC(C)O 7a_100000210259_200000718107 [1,1,0,0,0,0|1,0,1]=4 12614 B12R0.234 CCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210314 [1,1,0,0,0,0|2,0,0]=4 12615 B12R0.234 CCCCCCOCCNC(=O)C 34a_100000158858_100000210314 [1,1,0,0,0,0|2,0,0]=4 12616 B12R0.234 CCCCCCOCCNC(=O)C 7a_100000210259_100000189650 [1,1,0,0,0,0|2,0,0]=4 12617 B12R0.234 CCCCCCOCCNC(=O)N 34a_100000181757_100000210314 [1,1,0,0,0,0|2,0,0]=4 12618 B12R0.234 CCCCCCOCCNC(=O)N 7a_100000210259_200000034859 [1,1,0,0,0,0|2,0,0]=4 12619 B12R0.234 CCCCCCOCCOC(=O)C 34a_100000210259_100009814007 [1,1,0,0,0,0|2,0,0]=4 12620 B12R0.234 CCCCCCOCCOC(=O)C 7a_100000210259_100009814007 [1,1,0,0,0,0|2,0,0]=4 12621 B12R0.234 CCCCCCOCCOC(=O)N 34a_100000210259_200011214921 [1,1,0,0,0,0|2,0,0]=4 12622 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000210259_200011214921 [1,1,0,0,0,0|2,0,0]=4 12623 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000766696_100000210314 [1,1,0,0,0,0|2,0,0]=4 12624 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [1,1,0,0,0,0|1,0,0]=3 12625 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [1,1,0,0,0,0|1,0,0]=3 12626 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [1,1,0,0,0,0|1,0,0]=3 12627 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [1,1,0,0,0,0|1,0,0]=3 12628 B12R0.234 CCCCCCSCCCC(C)C 62a_100000210314_100011214892 [1,1,0,0,0,0|1,0,1]=4 12629 B12R0.234 CCCCCCSCCCC(C)C 62a_100011214892_100000210757 [1,1,0,0,0,0|1,0,1]=4 12630 B12R0.234 CCCCCCSCCCC(C)O 62a_100000210314_200000718107 [1,1,0,0,0,0|1,0,1]=4 12631 B12R0.234 CCCCCCSCCCC(C)O 62a_200000718107_100000210757 [1,1,0,0,0,0|1,0,1]=4 12632 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000189650_100000210757 [1,1,0,0,0,0|2,0,0]=4 12633 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000210314_100000189650 [1,1,0,0,0,0|2,0,0]=4 12634 B12R0.234 CCCCCCSCCNC(=O)N 62a_100000210314_200000034859 [1,1,0,0,0,0|2,0,0]=4 12635 B12R0.234 CCCCCCSCCNC(=O)N 62a_200000034859_100000210757 [1,1,0,0,0,0|2,0,0]=4 12636 B12R0.234 CCCCCCSCCOC(=O)C 62a_100000210314_100009814007 [1,1,0,0,0,0|2,0,0]=4 12637 B12R0.234 CCCCCCSCCOC(=O)C 62a_100009814007_100000210757 [1,1,0,0,0,0|2,0,0]=4 12638 B12R0.234 CCCCCCSCCOC(=O)N 62a_100000210314_200011214921 [1,1,0,0,0,0|2,0,0]=4 12639 B12R0.234 CCCCCCSCCOC(=O)N 62a_200011214921_100000210757 [1,1,0,0,0,0|2,0,0]=4 12640 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [1,1,0,0,0,0|1,0,0]=3 12641 B12R0.234 CCCCCNCCCCC(C)C 2230a_100000209983_100011216152 [1,1,0,0,0,0|1,0,1]=4 12642 B12R0.234 CCCCCNCCCNC(=O)C 34a_100000736810_100000718602 [1,1,0,0,0,0|2,0,0]=4 12643 B12R0.234 CCCCCNCCCSC(=O)C 2230a_100000209983_100000038929 [1,1,0,0,0,0|2,0,0]=4 12644 B12R0.234 CCCCCNCCOCC(=O)N 2230a_100000209983_100000076697 [1,1,0,0,0,0|2,0,0]=4 12645 B12R0.234 CCCCCNCCOCC(=O)N 34a_100000224656_100000187820 [1,1,0,0,0,0|2,0,0]=4 12646 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [1,1,0,0,0,0|2,0,0]=4 12647 B12R0.234 CCCCCNCCOCC(=O)[O-] 34a_100000224656_100020667443 [1,1,0,0,0,0|2,0,0]=4 12648 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [1,1,0,0,0,0|1,0,0]=3 12649 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [1,1,0,0,0,0|1,0,0]=3 12650 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [1,1,0,0,0,0|1,0,0]=3 12651 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [1,1,0,0,0,0|1,0,0]=3 12652 B12R0.234 CCCCCOCCCCC(C)C 34a_100000210253_100011216152 [1,1,0,0,0,0|1,0,1]=4 12653 B12R0.234 CCCCCOCCCCC(C)C 34a_100011214890_100000718602 [1,1,0,0,0,0|1,0,1]=4 12654 B12R0.234 CCCCCOCCCCC(C)C 7a_100000210253_100011216152 [1,1,0,0,0,0|1,0,1]=4 12655 B12R0.234 CCCCCOCCCCC(C)C 7a_100011214890_100000210326 [1,1,0,0,0,0|1,0,1]=4 12656 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000718602 [1,1,0,0,0,0|2,0,0]=4 12657 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210326 [1,1,0,0,0,0|2,0,0]=4 12658 B12R0.234 CCCCCOCCCNC(=O)C 34a_100000752032_100000718602 [1,1,0,0,0,0|2,0,0]=4 12659 B12R0.234 CCCCCOCCCOC(=O)C 34a_100000210253_100000042594 [1,1,0,0,0,0|2,0,0]=4 12660 B12R0.234 CCCCCOCCCOC(=O)C 7a_100000210253_100000042594 [1,1,0,0,0,0|2,0,0]=4 12661 B12R0.234 CCCCCOCCCSC(=O)C 34a_100000210253_100000038929 [1,1,0,0,0,0|2,0,0]=4 12662 B12R0.234 CCCCCOCCCSC(=O)C 7a_100000210253_100000038929 [1,1,0,0,0,0|2,0,0]=4 12663 B12R0.234 CCCCCOCCOCC(=O)N 34a_100000210253_100000076697 [1,1,0,0,0,0|2,0,0]=4 12664 B12R0.234 CCCCCOCCOCC(=O)N 34a_100011215259_100000187820 [1,1,0,0,0,0|2,0,0]=4 12665 B12R0.234 CCCCCOCCOCC(=O)N 7a_100000210253_100000076697 [1,1,0,0,0,0|2,0,0]=4 12666 B12R0.234 CCCCCOCCOCC(=O)N 7a_100011215259_100000187820 [1,1,0,0,0,0|2,0,0]=4 12667 B12R0.234 CCCCCOCCOCC(=O)[O-] 34a_100011215259_100020667443 [1,1,0,0,0,0|2,0,0]=4 12668 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [1,1,0,0,0,0|1,0,0]=3 12669 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [1,1,0,0,0,0|1,0,0]=3 12670 B12R0.234 CCCCCSCCCCC(C)C 62a_100000210326_100011216152 [1,1,0,0,0,0|1,0,1]=4 12671 B12R0.234 CCCCCSCCCCC(C)C 62a_100011216152_100000210326 [1,1,0,0,0,0|1,0,1]=4 12672 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000042594_100000210326 [1,1,0,0,0,0|2,0,0]=4 12673 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000210326_100000042594 [1,1,0,0,0,0|2,0,0]=4 12674 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000038929_100000210326 [1,1,0,0,0,0|2,0,0]=4 12675 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000210326_100000038929 [1,1,0,0,0,0|2,0,0]=4 12676 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000076697_100000210326 [1,1,0,0,0,0|2,0,0]=4 12677 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000210326_100000076697 [1,1,0,0,0,0|2,0,0]=4 12678 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [1,1,0,0,0,0|1,0,0]=3 12679 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [1,1,0,0,0,0|1,0,0]=3 12680 B12R0.234 CCCCNCCCCCC(C)C 2230a_100000102301_100000210682 [1,1,0,0,0,0|1,0,1]=4 12681 B12R0.234 CCCCNCCCCCC(C)C 2230a_100011290863_100000210211 [1,1,0,0,0,0|1,0,1]=4 12682 B12R0.234 CCCCNCCCCCC(C)C 34a_100011290863_100000210210 [1,1,0,0,0,0|1,0,1]=4 12683 B12R0.234 CCCCNCCCCCC(C)C 7a_106832991798_100000210682 [1,1,0,0,0,0|1,0,1]=4 12684 B12R0.234 CCCCNCCCCNC(=O)C 2230a_200011368371_100000210211 [1,1,0,0,0,0|2,0,0]=4 12685 B12R0.234 CCCCNCCCCNC(=O)C 34a_200011368371_100000210210 [1,1,0,0,0,0|2,0,0]=4 12686 B12R0.234 CCCCNCCCCOC(=O)C 7a_106832991798_100000033659 [1,1,0,0,0,0|2,0,0]=4 12687 B12R0.234 CCCCNCCCCSC(=O)C 2230a_100000102301_200010402107 [1,1,0,0,0,0|2,0,0]=4 12688 B12R0.234 CCCCNCCCCSC(=O)C 7a_106832991798_200010402107 [1,1,0,0,0,0|2,0,0]=4 12689 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [1,1,0,0,0,0|1,0,0]=3 12690 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [1,1,0,0,0,0|1,0,0]=3 12691 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [1,1,0,0,0,0|1,0,0]=3 12692 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [1,1,0,0,0,0|1,0,0]=3 12693 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [1,1,0,0,0,0|1,0,0]=3 12694 B12R0.234 CCCCOCCCCCC(C)C 34a_100000210227_100000210682 [1,1,0,0,0,0|1,0,1]=4 12695 B12R0.234 CCCCOCCCCCC(C)C 34a_100011995859_100000210210 [1,1,0,0,0,0|1,0,1]=4 12696 B12R0.234 CCCCOCCCCCC(C)C 7a_100000210227_100000210682 [1,1,0,0,0,0|1,0,1]=4 12697 B12R0.234 CCCCOCCCCCC(C)C 7a_100011995859_100000210211 [1,1,0,0,0,0|1,0,1]=4 12698 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000073216_100000210210 [1,1,0,0,0,0|2,0,0]=4 12699 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000210227_100000033659 [1,1,0,0,0,0|2,0,0]=4 12700 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000073216_100000210211 [1,1,0,0,0,0|2,0,0]=4 12701 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000210227_100000033659 [1,1,0,0,0,0|2,0,0]=4 12702 B12R0.234 CCCCOCCCCSC(=O)C 34a_100000210227_200010402107 [1,1,0,0,0,0|2,0,0]=4 12703 B12R0.234 CCCCOCCCCSC(=O)C 7a_100000210227_200010402107 [1,1,0,0,0,0|2,0,0]=4 12704 B12R0.234 CCCCOCCCNCC(=O)N 2230a_200000211371_100000747473 [1,1,0,0,0,0|2,0,0]=4 12705 B12R0.234 CCCCOCCCNCC(=O)N 34a_200000211371_100000187820 [1,1,0,0,0,0|2,0,0]=4 12706 B12R0.234 CCCCOCCCNCC(=O)[O-] 34a_200000211371_100020667443 [1,1,0,0,0,0|2,0,0]=4 12707 B12R0.234 CCCCOCCCOCC(=O)N 34a_200011215613_100000187820 [1,1,0,0,0,0|2,0,0]=4 12708 B12R0.234 CCCCOCCCOCC(=O)N 7a_200011215613_100000187820 [1,1,0,0,0,0|2,0,0]=4 12709 B12R0.234 CCCCOCCCOCC(=O)[O-] 34a_200011215613_100020667443 [1,1,0,0,0,0|2,0,0]=4 12710 B12R0.234 CCCCOCCOCCC(=O)C 34a_100000759926_100000743108 [1,1,0,0,0,0|2,0,0]=4 12711 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000210238_100000053229 [1,1,0,0,0,0|2,0,0]=4 12712 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000759926_100000743108 [1,1,0,0,0,0|2,0,0]=4 12713 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000210238_100000731001 [1,1,0,0,0,0|2,0,0]=4 12714 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000757172_100000743108 [1,1,0,0,0,0|2,0,0]=4 12715 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000210238_100000744528 [1,1,0,0,0,0|2,0,0]=4 12716 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000757172_100000743108 [1,1,0,0,0,0|2,0,0]=4 12717 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000053229_100000743108 [1,1,0,0,0,0|2,0,0]=4 12718 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000743108_100000053229 [1,1,0,0,0,0|2,0,0]=4 12719 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000743108_100000744528 [1,1,0,0,0,0|2,0,0]=4 12720 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000744528_100000743108 [1,1,0,0,0,0|2,0,0]=4 12721 B12R0.234 CCCCOCNCCCC(=O)N 34a_100000739312_100011995733 [1,1,0,0,0,0|2,0,0]=4 12722 B12R0.234 CCCCOCOCCCC(=O)C 34a_100000759063_100011995733 [1,1,0,0,0,0|2,0,0]=4 12723 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011215641_100011995733 [1,1,0,0,0,0|2,0,0]=4 12724 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011995733_100011215641 [1,1,0,0,0,0|2,0,0]=4 12725 B12R0.234 CCCCOCSCCCC(=O)N 62a_100011995733_100102525003 [1,1,0,0,0,0|2,0,0]=4 12726 B12R0.234 CCCCOCSCCCC(=O)N 62a_100102525003_100011995733 [1,1,0,0,0,0|2,0,0]=4 12727 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [1,1,0,0,0,0|1,0,0]=3 12728 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [1,1,0,0,0,0|1,0,0]=3 12729 B12R0.234 CCCCSCCCCCC(C)C 62a_100000210211_100000210682 [1,1,0,0,0,0|1,0,1]=4 12730 B12R0.234 CCCCSCCCCCC(C)C 62a_100000210682_100000210210 [1,1,0,0,0,0|1,0,1]=4 12731 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000033659_100000210210 [1,1,0,0,0,0|2,0,0]=4 12732 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000210211_100000033659 [1,1,0,0,0,0|2,0,0]=4 12733 B12R0.234 CCCCSCCCCSC(=O)C 62a_100000210211_200010402107 [1,1,0,0,0,0|2,0,0]=4 12734 B12R0.234 CCCCSCCCCSC(=O)C 62a_200010402107_100000210210 [1,1,0,0,0,0|2,0,0]=4 12735 B12R0.234 CCCCSCCNCCC(=O)N 2230a_100025743550_100000744528 [1,1,0,0,0,0|2,0,0]=4 12736 B12R0.234 CCCCSCCOCCC(=O)C 7a_200000230436_100000053229 [1,1,0,0,0,0|2,0,0]=4 12737 B12R0.234 CCCCSCCOCCC(=O)N 34a_200000230436_100000731001 [1,1,0,0,0,0|2,0,0]=4 12738 B12R0.234 CCCCSCCOCCC(=O)N 7a_200000230436_100000744528 [1,1,0,0,0,0|2,0,0]=4 12739 B12R0.234 CCCNCCCCCCC(C)C 2230a_100000211014_100000210303 [1,1,0,0,0,0|1,0,1]=4 12740 B12R0.234 CCCNCCCCCCC(C)C 34a_100000211014_100000210303 [1,1,0,0,0,0|1,0,1]=4 12741 B12R0.234 CCCNCCCCCNC(=O)C 2230a_200012022750_100000210303 [1,1,0,0,0,0|2,0,0]=4 12742 B12R0.234 CCCNCCCCCNC(=O)C 34a_200012022750_100000210303 [1,1,0,0,0,0|2,0,0]=4 12743 B12R0.234 CCCOCCCCCOC(=O)C 34a_100000210258_100000033007 [1,1,0,0,0,0|2,0,0]=4 12744 B12R0.234 CCCOCCCNCCC(=O)N 2230a_100011217757_100000744528 [1,1,0,0,0,0|2,0,0]=4 12745 B12R0.234 CCCOCCCNCCC(=O)N 34a_100011217757_100000731001 [1,1,0,0,0,0|2,0,0]=4 12746 B12R0.234 CCCOCCNCCCC(=O)C 34a_100161115042_100000685027 [1,1,0,0,0,0|2,0,0]=4 12747 B12R0.234 CCCOCCNCCCC(=O)N 34a_100000739312_100011215938 [1,1,0,0,0,0|2,0,0]=4 12748 B12R0.234 CCCOCCNCCCC(=O)N 34a_100161115042_100102525003 [1,1,0,0,0,0|2,0,0]=4 12749 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000752267_100000685027 [1,1,0,0,0,0|2,0,0]=4 12750 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000759063_100011215938 [1,1,0,0,0,0|2,0,0]=4 12751 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000752267_100011215641 [1,1,0,0,0,0|2,0,0]=4 12752 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000759063_100011215938 [1,1,0,0,0,0|2,0,0]=4 12753 B12R0.234 CCCOCCOCCCC(=O)N 34a_100000752267_100102525003 [1,1,0,0,0,0|2,0,0]=4 12754 B12R0.234 CCCOCCOCCCC(=O)N 7a_100000752267_100102525003 [1,1,0,0,0,0|2,0,0]=4 12755 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215641_100011215938 [1,1,0,0,0,0|2,0,0]=4 12756 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215938_100011215641 [1,1,0,0,0,0|2,0,0]=4 12757 B12R0.234 CCCOCCSCCCC(=O)N 62a_100011215938_100102525003 [1,1,0,0,0,0|2,0,0]=4 12758 B12R0.234 CCCOCCSCCCC(=O)N 62a_100102525003_100011215938 [1,1,0,0,0,0|2,0,0]=4 12759 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000033007_100000210303 [1,1,0,0,0,0|2,0,0]=4 12760 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000210303_100000033007 [1,1,0,0,0,0|2,0,0]=4 12761 B12R0.234 CCCSCCOCCCC(=O)C 34a_200000230433_100000685027 [1,1,0,0,0,0|2,0,0]=4 12762 B12R0.234 CCCSCCOCCCC(=O)C 7a_200000230433_100011215641 [1,1,0,0,0,0|2,0,0]=4 12763 B12R0.234 CCCSCCOCCCC(=O)N 34a_200000230433_100102525003 [1,1,0,0,0,0|2,0,0]=4 12764 B12R0.234 CCCSCCOCCCC(=O)N 7a_200000230433_100102525003 [1,1,0,0,0,0|2,0,0]=4 12765 B12R0.234 CCNCCCCCCNC(=O)C 2230a_200011996284_100000210202 [1,1,0,0,0,0|2,0,0]=4 12766 B12R0.234 CCNCCCCCCNC(=O)C 34a_200011996284_100000210202 [1,1,0,0,0,0|2,0,0]=4 12767 B12R0.234 CCOCCCCCCCC(C)C 34a_200000210741_100000210202 [1,1,0,0,0,0|1,0,1]=4 12768 B12R0.234 CCOCCCCCCCC(C)C 7a_200000210741_100000210202 [1,1,0,0,0,0|1,0,1]=4 12769 B12R0.234 CCOCCCNCCCC(=O)C 34a_100000210961_100000685027 [1,1,0,0,0,0|2,0,0]=4 12770 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000210961_100102525003 [1,1,0,0,0,0|2,0,0]=4 12771 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000739312_100012232248 [1,1,0,0,0,0|2,0,0]=4 12772 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000757476_100000685027 [1,1,0,0,0,0|2,0,0]=4 12773 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000759063_100012232248 [1,1,0,0,0,0|2,0,0]=4 12774 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000757476_100011215641 [1,1,0,0,0,0|2,0,0]=4 12775 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000759063_100012232248 [1,1,0,0,0,0|2,0,0]=4 12776 B12R0.234 CCOCCCOCCCC(=O)N 34a_100000757476_100102525003 [1,1,0,0,0,0|2,0,0]=4 12777 B12R0.234 CCOCCCOCCCC(=O)N 7a_100000757476_100102525003 [1,1,0,0,0,0|2,0,0]=4 12778 B12R0.234 CCOCCCSCCCC(=O)C 62a_100011215641_100012232248 [1,1,0,0,0,0|2,0,0]=4 12779 B12R0.234 CCOCCCSCCCC(=O)C 62a_100012232248_100011215641 [1,1,0,0,0,0|2,0,0]=4 12780 B12R0.234 CCOCCCSCCCC(=O)N 62a_100012232248_100102525003 [1,1,0,0,0,0|2,0,0]=4 12781 B12R0.234 CCOCCCSCCCC(=O)N 62a_100102525003_100012232248 [1,1,0,0,0,0|2,0,0]=4 12782 B12R0.234 CCOCCNCCCCC(=O)C 34a_102516460346_100009817362 [1,1,0,0,0,0|2,0,0]=4 12783 B12R0.234 CCOCCNCCCCC(=O)N 34a_100000696515_100000210147 [1,1,0,0,0,0|2,0,0]=4 12784 B12R0.234 CCOCCOCCCCC(=O)C 34a_100000210136_100009817362 [1,1,0,0,0,0|2,0,0]=4 12785 B12R0.234 CCOCCOCCCCC(=O)C 7a_100000210136_100000735457 [1,1,0,0,0,0|2,0,0]=4 12786 B12R0.234 CCOCCOCCCCC(=O)N 34a_100012022536_100000210147 [1,1,0,0,0,0|2,0,0]=4 12787 B12R0.234 CCOCCOCCCCC(=O)N 7a_100012022536_100011215890 [1,1,0,0,0,0|2,0,0]=4 12788 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000210147_100000735457 [1,1,0,0,0,0|2,0,0]=4 12789 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000735457_100011215890 [1,1,0,0,0,0|2,0,0]=4 12790 B12R0.234 CCOCSCCCCCC(=O)N 62a_100000739092_100009817443 [1,1,0,0,0,0|2,0,0]=4 12791 B12R0.234 CCOCSCCCCCC(=O)N 62a_100009817443_100000739092 [1,1,0,0,0,0|2,0,0]=4 12792 B12R0.234 CCSCCCOCCCC(=O)C 34a_100011216438_100000685027 [1,1,0,0,0,0|2,0,0]=4 12793 B12R0.234 CCSCCCOCCCC(=O)C 7a_100011216438_100011215641 [1,1,0,0,0,0|2,0,0]=4 12794 B12R0.234 CCSCCCOCCCC(=O)N 34a_100011216438_100102525003 [1,1,0,0,0,0|2,0,0]=4 12795 B12R0.234 CCSCCCOCCCC(=O)N 7a_100011216438_100102525003 [1,1,0,0,0,0|2,0,0]=4 12796 B12R0.234 CCSCCNCCCCC(=O)N 34a_100000696515_100000757381 [1,1,0,0,0,0|2,0,0]=4 12797 B12R0.234 CCSCCOCCCCC(=O)C 34a_100000212035_100009817362 [1,1,0,0,0,0|2,0,0]=4 12798 B12R0.234 CCSCCOCCCCC(=O)C 7a_100000212035_100000735457 [1,1,0,0,0,0|2,0,0]=4 12799 B12R0.234 CCSCCOCCCCC(=O)N 34a_100012022536_100000757381 [1,1,0,0,0,0|2,0,0]=4 12800 B12R0.234 CCSCCOCCCCC(=O)N 7a_100012022536_100000757381 [1,1,0,0,0,0|2,0,0]=4 12801 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000735457_100000757381 [1,1,0,0,0,0|2,0,0]=4 12802 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000757381_100000735457 [1,1,0,0,0,0|2,0,0]=4 12803 B12R0.234 CN(C)CCCCCCCCCO 2230a_100102631434_100009813782 [1,1,0,0,0,0|1,0,1]=4 12804 B12R0.234 CN(C)CCCCCCCCCO 269982a_100102631434_100009813782 [1,1,0,0,0,0|1,0,1]=4 12805 B12R0.234 CN(C)CCCCSCCCC=O 62a_200011292268_100000690147 [1,1,0,0,0,0|2,0,0]=4 12806 B12R0.234 CN(C)CCCSCCCCC=O 62a_100000139335_100000757444 [1,1,0,0,0,0|2,0,0]=4 12807 B12R0.234 CN(C)CCSCCCCCC=O 62a_100000139337_100000755713 [1,1,0,0,0,0|2,0,0]=4 12808 B12R0.234 CNCCCCCOCCC(=O)N 34a_100000722520_100000731001 [1,1,0,0,0,0|2,0,0]=4 12809 B12R0.234 CNCCCOCCCCC(=O)C 34a_100000213112_100009817362 [1,1,0,0,0,0|2,0,0]=4 12810 B12R0.234 COCCCCCCNCC(=O)N 2230a_100000711301_100011998445 [1,1,0,0,0,0|2,0,0]=4 12811 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [1,1,0,0,0,0|2,0,0]=4 12812 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [1,1,0,0,0,0|2,0,0]=4 12813 B12R0.234 COCCCCCCOCC(=O)N 34a_200012092642_100000187820 [1,1,0,0,0,0|2,0,0]=4 12814 B12R0.234 COCCCCCCOCC(=O)N 7a_200012092642_100000187820 [1,1,0,0,0,0|2,0,0]=4 12815 B12R0.234 COCCCCCCOCC(=O)[O-] 34a_200012092642_100020667443 [1,1,0,0,0,0|2,0,0]=4 12816 B12R0.234 COCCCCCCSCC(=O)N 62a_100000747473_100011998445 [1,1,0,0,0,0|2,0,0]=4 12817 B12R0.234 COCCCCCCSCC(=O)N 62a_100011998445_100000747473 [1,1,0,0,0,0|2,0,0]=4 12818 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100011998445_100020667443 [1,1,0,0,0,0|2,0,0]=4 12819 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100020667443_100011998445 [1,1,0,0,0,0|2,0,0]=4 12820 B12R0.234 COCCCCCNCCC(=O)N 2230a_100000747528_100000744528 [1,1,0,0,0,0|2,0,0]=4 12821 B12R0.234 COCCCCCNCCC(=O)N 34a_100000747528_100000731001 [1,1,0,0,0,0|2,0,0]=4 12822 B12R0.234 COCCCCNCCCC(=O)N 34a_100000739312_100000755781 [1,1,0,0,0,0|2,0,0]=4 12823 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [1,1,0,0,0,0|2,0,0]=4 12824 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [1,1,0,0,0,0|2,0,0]=4 12825 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [1,1,0,0,0,0|2,0,0]=4 12826 B12R0.234 COCCCCOCCCC(=O)N 34a_100000740925_100102525003 [1,1,0,0,0,0|2,0,0]=4 12827 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [1,1,0,0,0,0|2,0,0]=4 12828 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [1,1,0,0,0,0|2,0,0]=4 12829 B12R0.234 COCCCCSCCCC(=O)N 62a_100000730899_100102525003 [1,1,0,0,0,0|2,0,0]=4 12830 B12R0.234 COCCCCSCCCC(=O)N 62a_100102525003_100000730899 [1,1,0,0,0,0|2,0,0]=4 12831 B12R0.234 COCCCNCCCCC(=O)C 34a_100150723488_100009817362 [1,1,0,0,0,0|2,0,0]=4 12832 B12R0.234 COCCCNCCCCC(=O)N 34a_100000696515_100000740836 [1,1,0,0,0,0|2,0,0]=4 12833 B12R0.234 COCCCOCCCCC(=O)C 34a_100000740835_100009817362 [1,1,0,0,0,0|2,0,0]=4 12834 B12R0.234 COCCCOCCCCC(=O)N 34a_100012022536_100000740836 [1,1,0,0,0,0|2,0,0]=4 12835 B12R0.234 COCCCOCCCCC(=O)N 7a_100012022536_100000740836 [1,1,0,0,0,0|2,0,0]=4 12836 B12R0.234 COCCCSCCCCC(=O)C 62a_100000709357_100000735457 [1,1,0,0,0,0|2,0,0]=4 12837 B12R0.234 COCCCSCCCCC(=O)C 62a_100000735457_100000709357 [1,1,0,0,0,0|2,0,0]=4 12838 B12R0.234 COCCNCCCCCC(=O)N 2230a_100000209980_100009817443 [1,1,0,0,0,0|2,0,0]=4 12839 B12R0.234 COCCOCCCCCC(=O)N 34a_100000123541_100011201679 [1,1,0,0,0,0|2,0,0]=4 12840 B12R0.234 COCCOCCCCCC(=O)N 34a_100000210237_100009817443 [1,1,0,0,0,0|2,0,0]=4 12841 B12R0.234 COCCOCCCCCC(=O)N 7a_100000123541_100000233755 [1,1,0,0,0,0|2,0,0]=4 12842 B12R0.234 COCCOCCCCCC(=O)[O-] 7a_100102619762_100000233755 [1,1,0,0,0,0|2,0,0]=4 12843 B12R0.234 COCCSCCCCCC(=O)N 62a_100000233755_100009817443 [1,1,0,0,0,0|2,0,0]=4 12844 B12R0.234 COCCSCCCCCC(=O)N 62a_100009817443_100000233755 [1,1,0,0,0,0|2,0,0]=4 12845 B12R0.234 CS(=O)CCCNCCCCC=O 2230a_200000753449_100000139335 [1,1,0,0,0,0|2,0,0]=4 12846 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [1,1,0,0,0,0|2,0,0]=4 12847 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [1,1,0,0,0,0|2,0,0]=4 12848 B12R0.234 CSCCCCOCCCC(=O)N 34a_100011217163_100102525003 [1,1,0,0,0,0|2,0,0]=4 12849 B12R0.234 CSCCCCOCCCC(=O)N 7a_100011217163_100102525003 [1,1,0,0,0,0|2,0,0]=4 12850 B12R0.234 CSCCCOCCCCC(=O)C 34a_100000690336_100009817362 [1,1,0,0,0,0|2,0,0]=4 12851 B12R0.234 CSCCCOCCCCC(=O)C 7a_100000690336_100000735457 [1,1,0,0,0,0|2,0,0]=4 12852 B12R0.234 CSCCNCCCCCC(=O)N 2230a_100020590264_100009817443 [1,1,0,0,0,0|2,0,0]=4 12853 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000123541_100000212216 [1,1,0,0,0,0|2,0,0]=4 12854 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000230434_100009817443 [1,1,0,0,0,0|2,0,0]=4 12855 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000123541_100000212216 [1,1,0,0,0,0|2,0,0]=4 12856 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000230434_100009817443 [1,1,0,0,0,0|2,0,0]=4 12857 B12R0.234 CSCCOCCCCCC(=O)[O-] 7a_100102619762_100000212216 [1,1,0,0,0,0|2,0,0]=4 12858 B12R0.234 CSCCSCCCCCC(=O)N 62a_100000212216_100009817443 [1,1,0,0,0,0|2,0,0]=4 12859 B12R0.234 CSCCSCCCCCC(=O)N 62a_100009817443_100000751147 [1,1,0,0,0,0|2,0,0]=4 12860 B12R0.234 C[C@@H](Cl)COCCCCCCCO 34a_100016084084_100000760002 [1,1,0,0,0,0|1,0,1]=4 12861 B12R0.234 C[C@@H](N)CCOCCCCCCF 34a_100000706166_100015922095 [1,1,0,0,0,0|2,0,0]=4 12862 B12R0.234 C[C@@H](N)CCOCCCCCCO 34a_100000706166_100000766143 [1,1,0,0,0,0|1,0,1]=4 12863 B12R0.234 C[C@@H](N)COCCCCCCCO 34a_100000737577_100000760002 [1,1,0,0,0,0|1,0,1]=4 12864 B12R0.234 C[C@@H](O)CNCCCCCCCO 2230a_100011996573_100009817552 [1,1,0,0,0,0|1,0,1]=4 12865 B12R0.234 C[C@@H](O)CNCCCCCCCO 34a_100011996573_100009817552 [1,1,0,0,0,0|1,0,1]=4 12866 B12R0.234 C[C@@H](O)COCCCCCCCBr 34a_100000760002_100009817552 [1,1,0,0,0,0|2,0,0]=4 12867 B12R0.234 C[C@@H](O)COCCCCCCCBr 7a_100000760002_100009817552 [1,1,0,0,0,0|2,0,0]=4 12868 B12R0.234 C[C@@H](O)COCCCCCCCN 34a_100011996573_100009817552 [1,1,0,0,0,0|2,0,0]=4 12869 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100000760002_100009817552 [1,1,0,0,0,0|1,0,1]=4 12870 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100009817552_100000760002 [1,1,0,0,0,0|1,0,1]=4 12871 B12R0.234 NC(=O)CCCCCNCCCF 2230a_100015189416_100009817443 [1,1,0,0,0,0|2,0,0]=4 12872 B12R0.234 NC(=O)CCCCCNCCCF 34a_100015189416_100009817443 [1,1,0,0,0,0|2,0,0]=4 12873 B12R0.234 NC(=O)CCCCCOCCCBr 34a_100011217188_100009817443 [1,1,0,0,0,0|2,0,0]=4 12874 B12R0.234 NC(=O)CCCCCOCCCCl 34a_100000230001_100009817443 [1,1,0,0,0,0|2,0,0]=4 12875 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000123541_100011934791 [1,1,0,0,0,0|2,0,0]=4 12876 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000759539_100009817443 [1,1,0,0,0,0|2,0,0]=4 12877 B12R0.234 NC(=O)CCCCCOCCCF 7a_100000123541_100011934791 [1,1,0,0,0,0|2,0,0]=4 12878 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [1,1,0,0,0,0|2,0,0]=4 12879 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [1,1,0,0,0,0|2,0,0]=4 12880 B12R0.234 NC(=O)CCCCCSCCCF 62a_100009817443_100011934791 [1,1,0,0,0,0|2,0,0]=4 12881 B12R0.234 NC(=O)CCCCCSCCCF 62a_100011934791_100009817443 [1,1,0,0,0,0|2,0,0]=4 12882 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [1,1,0,0,0,0|2,0,0]=4 12883 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [1,1,0,0,0,0|2,0,0]=4 12884 B12R0.234 NC(=O)CCCCNCCCCF 34a_100000696515_100000729493 [1,1,0,0,0,0|2,0,0]=4 12885 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [1,1,0,0,0,0|2,0,0]=4 12886 B12R0.234 NC(=O)CCCCOCCCCF 34a_100012022536_100000729493 [1,1,0,0,0,0|2,0,0]=4 12887 B12R0.234 NC(=O)CCCCOCCCCF 7a_100012022536_100000729493 [1,1,0,0,0,0|2,0,0]=4 12888 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [1,1,0,0,0,0|2,0,0]=4 12889 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [1,1,0,0,0,0|2,0,0]=4 12890 B12R0.234 NC(=O)CCCNCCCCCF 34a_100000739312_100000729378 [1,1,0,0,0,0|2,0,0]=4 12891 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [1,1,0,0,0,0|2,0,0]=4 12892 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [1,1,0,0,0,0|2,0,0]=4 12893 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [1,1,0,0,0,0|2,0,0]=4 12894 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [1,1,0,0,0,0|2,0,0]=4 12895 B12R0.234 NC(=O)CCCOCCCCCCl 34a_100000746330_100102525003 [1,1,0,0,0,0|2,0,0]=4 12896 B12R0.234 NC(=O)CCCOCCCCCCl 7a_100000746330_100102525003 [1,1,0,0,0,0|2,0,0]=4 12897 B12R0.234 NC(=O)CCCOCCCCCI 34a_200012148887_100102525003 [1,1,0,0,0,0|2,0,0]=4 12898 B12R0.234 NC(=O)CCCOCCCCCI 7a_200012148887_100102525003 [1,1,0,0,0,0|2,0,0]=4 12899 B12R0.234 NC(=O)CCCSCCCCCF 62a_100000729378_100102525003 [1,1,0,0,0,0|2,0,0]=4 12900 B12R0.234 NC(=O)CCCSCCCCCF 62a_100102525003_100000729378 [1,1,0,0,0,0|2,0,0]=4 12901 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [1,1,0,0,0,0|2,0,0]=4 12902 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [1,1,0,0,0,0|2,0,0]=4 12903 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [1,1,0,0,0,0|2,0,0]=4 12904 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [1,1,0,0,0,0|2,0,0]=4 12905 B12R0.234 NC(=O)CCOCCCCCCBr 34a_100011215345_100000731001 [1,1,0,0,0,0|2,0,0]=4 12906 B12R0.234 NC(=O)CCOCCCCCCBr 7a_100011215345_100000744528 [1,1,0,0,0,0|2,0,0]=4 12907 B12R0.234 NC(=O)CCOCCCCCCCl 34a_100000766143_100000731001 [1,1,0,0,0,0|2,0,0]=4 12908 B12R0.234 NC(=O)CCOCCCCCCCl 7a_100000766143_100000744528 [1,1,0,0,0,0|2,0,0]=4 12909 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000732779_100000731001 [1,1,0,0,0,0|2,0,0]=4 12910 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000757172_100015922095 [1,1,0,0,0,0|2,0,0]=4 12911 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000732779_100000744528 [1,1,0,0,0,0|2,0,0]=4 12912 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000757172_100015922095 [1,1,0,0,0,0|2,0,0]=4 12913 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [1,1,0,0,0,0|2,0,0]=4 12914 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [1,1,0,0,0,0|2,0,0]=4 12915 B12R0.234 NC(=O)CCSCCCCCCF 62a_100000744528_100015922095 [1,1,0,0,0,0|2,0,0]=4 12916 B12R0.234 NC(=O)CCSCCCCCCF 62a_100015922095_100000744528 [1,1,0,0,0,0|2,0,0]=4 12917 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [1,1,0,0,0,0|2,0,0]=4 12918 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [1,1,0,0,0,0|2,0,0]=4 12919 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [1,1,0,0,0,0|2,0,0]=4 12920 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [1,1,0,0,0,0|2,0,0]=4 12921 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [1,1,0,0,0,0|2,0,0]=4 12922 B12R0.234 NC(=O)COCCCCCCCBr 34a_100000760002_100000187820 [1,1,0,0,0,0|2,0,0]=4 12923 B12R0.234 NC(=O)COCCCCCCCBr 7a_100000760002_100000187820 [1,1,0,0,0,0|2,0,0]=4 12924 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [1,1,0,0,0,0|2,0,0]=4 12925 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [1,1,0,0,0,0|2,0,0]=4 12926 B12R0.234 NCCCCCCCOCC(=O)N 34a_100011996573_100000187820 [1,1,0,0,0,0|2,0,0]=4 12927 B12R0.234 NCCCCCCCOCC(=O)[O-] 34a_100011996573_100020667443 [1,1,0,0,0,0|2,0,0]=4 12928 B12R0.234 NCCCCCCOCCC(=O)N 34a_100000686447_100000731001 [1,1,0,0,0,0|2,0,0]=4 12929 B12R0.234 NCCCCCOCCCC(=O)N 34a_100000762737_100102525003 [1,1,0,0,0,0|2,0,0]=4 12930 B12R0.234 NCCCOCCCCCC(=O)N 34a_100000182051_100009817443 [1,1,0,0,0,0|2,0,0]=4 12931 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [1,1,0,0,0,0|2,0,0]=4 12932 B12R0.234 O=C([O-])CCCCCOCCCF 7a_100102619762_100011934791 [1,1,0,0,0,0|2,0,0]=4 12933 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [1,1,0,0,0,0|2,0,0]=4 12934 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [1,1,0,0,0,0|2,0,0]=4 12935 B12R0.234 O=C([O-])COCCCCCCCBr 34a_100000760002_100020667443 [1,1,0,0,0,0|2,0,0]=4 12936 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [1,1,0,0,0,0|2,0,0]=4 12937 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [1,1,0,0,0,0|2,0,0]=4 12938 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [1,1,0,0,0,0|1,0,0]=3 12939 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [1,1,0,0,0,0|0,0,2]=4 12940 B12R0.248 C=CC(C)COCCCCCCC 34a_100011215527_100000210614 [1,1,0,0,0,0|1,0,1]=4 12941 B12R0.248 C=CC(C)COCCCCCCC 7a_100011215527_100000210614 [1,1,0,0,0,0|1,0,1]=4 12942 B12R0.248 C=CC(C)OCCCCCCCC 34a_100000695699_100000210759 [1,1,0,0,0,0|1,0,1]=4 12943 B12R0.248 C=CC(C)SCCCCCCCC 62a_100011215867_100000210317 [1,1,0,0,0,0|1,0,1]=4 12944 B12R0.248 C=CC(O)CNCCCCCCC 2230a_100000229938_100000730141 [1,1,0,0,0,0|1,0,1]=4 12945 B12R0.248 C=CC(O)COCCCCCCC 34a_100000210272_100000730141 [1,1,0,0,0,0|1,0,1]=4 12946 B12R0.248 C=CC(O)COCCCCCCC 7a_100000210272_100000730141 [1,1,0,0,0,0|1,0,1]=4 12947 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000210614_100000730141 [1,1,0,0,0,0|1,0,1]=4 12948 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000730141_100000210316 [1,1,0,0,0,0|1,0,1]=4 12949 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [1,1,0,0,0,0|0,0,2]=4 12950 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [1,1,0,0,0,0|0,0,2]=4 12951 B12R0.248 C=CCCCCCCCN(C)CC 2230a_100000225621_100012355270 [1,1,0,0,0,0|1,0,1]=4 12952 B12R0.248 C=CCCCCCCCN(C)CC 269982a_100000225621_100012355270 [1,1,0,0,0,0|1,0,1]=4 12953 B12R0.248 C=CCCCCCCNC(C)CC 2230a_100000209981_100011215473 [1,1,0,0,0,0|1,0,1]=4 12954 B12R0.248 C=CCCCCCCOC(C)CC 34a_200011216477_100011215416 [1,1,0,0,0,0|1,0,1]=4 12955 B12R0.248 C=CCCCCCCOC(C)CC 7a_100000210228_100011215473 [1,1,0,0,0,0|1,0,1]=4 12956 B12R0.248 C=CCCCCCCOC(C)CC 7a_200011216477_100000758301 [1,1,0,0,0,0|1,0,1]=4 12957 B12R0.248 C=CCCCCCCSC(C)CC 62a_100000758301_100011215473 [1,1,0,0,0,0|1,0,1]=4 12958 B12R0.248 C=CCCCCCCSC(C)CC 62a_100011215473_100000758301 [1,1,0,0,0,0|1,0,1]=4 12959 B12R0.248 C=CCCCCCNCC(C)CC 2230a_100020588543_100000700193 [1,1,0,0,0,0|1,0,1]=4 12960 B12R0.248 C=CCCCCCNCC(O)CC 2230a_100011218483_100000700193 [1,1,0,0,0,0|1,0,1]=4 12961 B12R0.248 C=CCCCCCOCC(C)CC 34a_100011216702_100000748023 [1,1,0,0,0,0|1,0,1]=4 12962 B12R0.248 C=CCCCCCOCC(C)CC 7a_100011216702_100000748023 [1,1,0,0,0,0|1,0,1]=4 12963 B12R0.248 C=CCCCCCOCC(O)CC 34a_100011216702_100011218378 [1,1,0,0,0,0|1,0,1]=4 12964 B12R0.248 C=CCCCCCOCC(O)CC 7a_100011216702_100011218378 [1,1,0,0,0,0|1,0,1]=4 12965 B12R0.248 C=CCCCCCOC[C@@H](C)CC 34a_100011216702_100009816398 [1,1,0,0,0,0|1,0,1]=4 12966 B12R0.248 C=CCCCCCOC[C@@H](C)CC 7a_100009816381_100000700193 [1,1,0,0,0,0|1,0,1]=4 12967 B12R0.248 C=CCCCCCOC[C@@H](C)CC 7a_100011216702_100009816398 [1,1,0,0,0,0|1,0,1]=4 12968 B12R0.248 C=CCCCCCSCC(C)CC 62a_100000700193_100000748023 [1,1,0,0,0,0|1,0,1]=4 12969 B12R0.248 C=CCCCCCSCC(C)CC 62a_100000748023_100000700193 [1,1,0,0,0,0|1,0,1]=4 12970 B12R0.248 C=CCCCCCSCC(O)CC 62a_100000700193_100011218378 [1,1,0,0,0,0|1,0,1]=4 12971 B12R0.248 C=CCCCCCSCC(O)CC 62a_100011218378_100000700193 [1,1,0,0,0,0|1,0,1]=4 12972 B12R0.248 C=CCCCCCSC[C@@H](C)CC 62a_100000700193_100009816398 [1,1,0,0,0,0|1,0,1]=4 12973 B12R0.248 C=CCCCCCSC[C@@H](C)CC 62a_100009816398_100000700193 [1,1,0,0,0,0|1,0,1]=4 12974 B12R0.248 C=CCCCCNCCC(C)CC 2230a_100020591266_100011215482 [1,1,0,0,0,0|1,0,1]=4 12975 B12R0.248 C=CCCCCOCCC(C)CC 7a_100011215188_100011215482 [1,1,0,0,0,0|1,0,1]=4 12976 B12R0.248 C=CCCCOCCCC(C)CC 7a_100011216074_100000757094 [1,1,0,0,0,0|1,0,1]=4 12977 B12R0.248 C=CCOCCCCCC(C)CC 7a_200000035636_100015514636 [1,1,0,0,0,0|1,0,1]=4 12978 B12R0.248 C=C[C@H](N)COCCCCCCC 34a_100016989147_100000210614 [1,1,0,0,0,0|1,0,1]=4 12979 B12R0.248 CC(CO)CCNCCCCC=O 2230a_106354213184_100000139335 [1,1,0,0,0,0|2,0,0]=4 12980 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [1,1,0,0,0,0|0,0,2]=4 12981 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000139337_100000747405 [1,1,0,0,0,0|1,0,1]=4 12982 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000747405_100000139337 [1,1,0,0,0,0|1,0,1]=4 12983 B12R0.248 CCC(C)CCCCCOCC=O 7a_200000035636_200015260668 [1,1,0,0,0,0|1,0,0]=3 12984 B12R0.248 CCC(C)CCCCCOCCF 7a_200000035636_100011217306 [1,1,0,0,0,0|2,0,0]=4 12985 B12R0.248 CCC(C)CCCCCOCCO 7a_200000035636_100000211926 [1,1,0,0,0,0|1,0,1]=4 12986 B12R0.248 CCC(C)CCCOCCCC=O 7a_100011216074_200011292268 [1,1,0,0,0,0|1,0,0]=3 12987 B12R0.248 CCC(C)CCCOCCCCF 7a_100011216074_100000729493 [1,1,0,0,0,0|2,0,0]=4 12988 B12R0.248 CCC(C)CCCOCCCCO 7a_100011216074_100000210776 [1,1,0,0,0,0|1,0,1]=4 12989 B12R0.248 CCC(C)CCNCCCCC=O 2230a_100020591266_100000139335 [1,1,0,0,0,0|1,0,0]=3 12990 B12R0.248 CCC(C)CCNCCCCCF 2230a_100020591266_100000729378 [1,1,0,0,0,0|2,0,0]=4 12991 B12R0.248 CCC(C)CCNCCCCCO 2230a_100020591266_100000746330 [1,1,0,0,0,0|1,0,1]=4 12992 B12R0.248 CCC(C)CCOCCCCC=O 7a_100011215188_100000139335 [1,1,0,0,0,0|1,0,0]=3 12993 B12R0.248 CCC(C)CCOCCCCCF 7a_100011215188_100000729378 [1,1,0,0,0,0|2,0,0]=4 12994 B12R0.248 CCC(C)CCOCCCCCO 7a_100011215188_100000746330 [1,1,0,0,0,0|1,0,1]=4 12995 B12R0.248 CCC(C)CNCCCCCC=O 2230a_100020588543_100000139337 [1,1,0,0,0,0|1,0,0]=3 12996 B12R0.248 CCC(C)CNCCCCCCF 2230a_100020588543_100015922095 [1,1,0,0,0,0|2,0,0]=4 12997 B12R0.248 CCC(C)CNCCCCCCO 2230a_100000686447_100000748023 [1,1,0,0,0,0|1,0,1]=4 12998 B12R0.248 CCC(C)CNCCCCCCO 2230a_100020588543_100000766143 [1,1,0,0,0,0|1,0,1]=4 12999 B12R0.248 CCC(C)CNCCCCCCO 270004a_100000686447_100000243153 [1,1,0,0,0,0|1,0,1]=4 13000 B12R0.248 CCC(C)CNCCCCCCO 34a_100000686447_100000748023 [1,1,0,0,0,0|1,0,1]=4 13001 B12R0.248 CCC(C)COCCCCCCBr 34a_100011215345_100000748023 [1,1,0,0,0,0|2,0,0]=4 13002 B12R0.248 CCC(C)COCCCCCCBr 7a_100011215345_100000748023 [1,1,0,0,0,0|2,0,0]=4 13003 B12R0.248 CCC(C)COCCCCCCCl 34a_100000766143_100000748023 [1,1,0,0,0,0|2,0,0]=4 13004 B12R0.248 CCC(C)COCCCCCCCl 7a_100000766143_100000748023 [1,1,0,0,0,0|2,0,0]=4 13005 B12R0.248 CCC(C)COCCCCCCF 34a_100000732779_100000748023 [1,1,0,0,0,0|2,0,0]=4 13006 B12R0.248 CCC(C)COCCCCCCF 7a_100000732779_100000748023 [1,1,0,0,0,0|2,0,0]=4 13007 B12R0.248 CCC(C)COCCCCCCN 34a_100000686447_100000748023 [1,1,0,0,0,0|2,0,0]=4 13008 B12R0.248 CCC(C)CSCCCCCC=O 62a_100000139337_100000748023 [1,1,0,0,0,0|1,0,0]=3 13009 B12R0.248 CCC(C)CSCCCCCC=O 62a_100000748023_100000139337 [1,1,0,0,0,0|1,0,0]=3 13010 B12R0.248 CCC(C)CSCCCCCCF 62a_100000748023_100015922095 [1,1,0,0,0,0|2,0,0]=4 13011 B12R0.248 CCC(C)CSCCCCCCF 62a_100015922095_100000748023 [1,1,0,0,0,0|2,0,0]=4 13012 B12R0.248 CCC(C)CSCCCCCCO 62a_100000748023_100000766143 [1,1,0,0,0,0|1,0,1]=4 13013 B12R0.248 CCC(C)CSCCCCCCO 62a_100000766143_100000748023 [1,1,0,0,0,0|1,0,1]=4 13014 B12R0.248 CCC(C)NCCCCCCCO 2230a_100000209981_100000760002 [1,1,0,0,0,0|1,0,1]=4 13015 B12R0.248 CCC(C)NCCCCCCCO 2230a_100011996573_100000758301 [1,1,0,0,0,0|1,0,1]=4 13016 B12R0.248 CCC(C)NCCCCCCCO 34a_100011996573_100011215416 [1,1,0,0,0,0|1,0,1]=4 13017 B12R0.248 CCC(C)OCCCCCCCBr 34a_100000760002_100011215416 [1,1,0,0,0,0|2,0,0]=4 13018 B12R0.248 CCC(C)OCCCCCCCBr 7a_100000760002_100000758301 [1,1,0,0,0,0|2,0,0]=4 13019 B12R0.248 CCC(C)OCCCCCCCN 34a_100011996573_100011215416 [1,1,0,0,0,0|2,0,0]=4 13020 B12R0.248 CCC(C)OCCCCCCCO 7a_100000210228_100000760002 [1,1,0,0,0,0|1,0,1]=4 13021 B12R0.248 CCC(C)SCCCCCCCO 62a_100000758301_100000760002 [1,1,0,0,0,0|1,0,1]=4 13022 B12R0.248 CCC(C)SCCCCCCCO 62a_100000760002_100000758301 [1,1,0,0,0,0|1,0,1]=4 13023 B12R0.248 CCC(O)CNCCCCCC=O 2230a_100011218483_100000139337 [1,1,0,0,0,0|1,0,0]=3 13024 B12R0.248 CCC(O)CNCCCCCCF 2230a_100011218483_100015922095 [1,1,0,0,0,0|2,0,0]=4 13025 B12R0.248 CCC(O)CNCCCCCCO 2230a_100000686447_100011218378 [1,1,0,0,0,0|1,0,1]=4 13026 B12R0.248 CCC(O)CNCCCCCCO 2230a_100011218483_100000766143 [1,1,0,0,0,0|1,0,1]=4 13027 B12R0.248 CCC(O)CNCCCCCCO 34a_100000686447_100011218378 [1,1,0,0,0,0|1,0,1]=4 13028 B12R0.248 CCC(O)COCCCCCCBr 34a_100011215345_100011218378 [1,1,0,0,0,0|2,0,0]=4 13029 B12R0.248 CCC(O)COCCCCCCBr 7a_100011215345_100011218378 [1,1,0,0,0,0|2,0,0]=4 13030 B12R0.248 CCC(O)COCCCCCCCl 34a_100000766143_100011218378 [1,1,0,0,0,0|2,0,0]=4 13031 B12R0.248 CCC(O)COCCCCCCCl 7a_100000766143_100011218378 [1,1,0,0,0,0|2,0,0]=4 13032 B12R0.248 CCC(O)COCCCCCCF 34a_100000732779_100011218378 [1,1,0,0,0,0|2,0,0]=4 13033 B12R0.248 CCC(O)COCCCCCCF 7a_100000732779_100011218378 [1,1,0,0,0,0|2,0,0]=4 13034 B12R0.248 CCC(O)COCCCCCCN 34a_100000686447_100011218378 [1,1,0,0,0,0|2,0,0]=4 13035 B12R0.248 CCC(O)CSCCCCCC=O 62a_100000139337_100011218378 [1,1,0,0,0,0|1,0,0]=3 13036 B12R0.248 CCC(O)CSCCCCCC=O 62a_100011218378_100000139337 [1,1,0,0,0,0|1,0,0]=3 13037 B12R0.248 CCC(O)CSCCCCCCF 62a_100011218378_100015922095 [1,1,0,0,0,0|2,0,0]=4 13038 B12R0.248 CCC(O)CSCCCCCCF 62a_100015922095_100011218378 [1,1,0,0,0,0|2,0,0]=4 13039 B12R0.248 CCC(O)CSCCCCCCO 62a_100000766143_100011218378 [1,1,0,0,0,0|1,0,1]=4 13040 B12R0.248 CCC(O)CSCCCCCCO 62a_100011218378_100000766143 [1,1,0,0,0,0|1,0,1]=4 13041 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [1,1,0,0,0,0|0,0,2]=4 13042 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [1,1,0,0,0,0|0,0,2]=4 13043 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [1,1,0,0,0,0|1,0,1]=4 13044 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [1,1,0,0,0,0|0,0,2]=4 13045 B12R0.248 CCCCCCCCCC(C)NC 270004a_106832991635_100011215753 [1,1,0,0,0,0|1,0,1]=4 13046 B12R0.248 CCCCCCCCCC(C)OC 34a_100011218016_200000210301 [1,1,0,0,0,0|1,0,1]=4 13047 B12R0.248 CCCCCCCCCC(C)OC 7a_100011218016_200000210301 [1,1,0,0,0,0|1,0,1]=4 13048 B12R0.248 CCCCCCCCCC(C)O[13CH3] 34a_100011218016_200025704644 [1,1,0,0,0,0|1,0,1]=4 13049 B12R0.248 CCCCCCCCCC(C)O[13CH3] 7a_100011218016_200025704644 [1,1,0,0,0,0|1,0,1]=4 13050 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000225621_100011214924 [1,1,0,0,0,0|1,0,1]=4 13051 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000232482_100000210202 [1,1,0,0,0,0|1,0,1]=4 13052 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000225621_100000210670 [1,1,0,0,0,0|1,0,1]=4 13053 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000232482_100000204670 [1,1,0,0,0,0|1,0,1]=4 13054 B12R0.248 CCCCCCCCCN(C)CF 269982a_100000232482_100015361967 [1,1,0,0,0,0|2,0,0]=4 13055 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000209981_100000210759 [1,1,0,0,0,0|1,0,1]=4 13056 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000229939_100000758301 [1,1,0,0,0,0|1,0,1]=4 13057 B12R0.248 CCCCCCCCNC(C)CC 34a_100000229939_100011215416 [1,1,0,0,0,0|1,0,1]=4 13058 B12R0.248 CCCCCCCCNC(C)CO 2230a_100000229939_100012180447 [1,1,0,0,0,0|1,0,1]=4 13059 B12R0.248 CCCCCCCCNC(C)CO 34a_100000229939_100012180447 [1,1,0,0,0,0|1,0,1]=4 13060 B12R0.248 CCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210759 [1,1,0,0,0,0|1,0,1]=4 13061 B12R0.248 CCCCCCCCOC(C)CC 34a_100000210232_100011215416 [1,1,0,0,0,0|1,0,1]=4 13062 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210228_100000210759 [1,1,0,0,0,0|1,0,1]=4 13063 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210232_100000758301 [1,1,0,0,0,0|1,0,1]=4 13064 B12R0.248 CCCCCCCCOC(C)CF 34a_100016041109_100000210759 [1,1,0,0,0,0|2,0,0]=4 13065 B12R0.248 CCCCCCCCOC(C)CF 7a_100016041109_100000210759 [1,1,0,0,0,0|2,0,0]=4 13066 B12R0.248 CCCCCCCCOC(C)CN 34a_100000210904_100000210759 [1,1,0,0,0,0|2,0,0]=4 13067 B12R0.248 CCCCCCCCOC(C)CO 34a_100000210232_100012180447 [1,1,0,0,0,0|1,0,1]=4 13068 B12R0.248 CCCCCCCCOC(C)CO 7a_100000210232_100012180447 [1,1,0,0,0,0|1,0,1]=4 13069 B12R0.248 CCCCCCCCSC(C)CC 62a_100000210759_100000758301 [1,1,0,0,0,0|1,0,1]=4 13070 B12R0.248 CCCCCCCCSC(C)CC 62a_100000758301_100000210317 [1,1,0,0,0,0|1,0,1]=4 13071 B12R0.248 CCCCCCCCSC(C)CO 62a_100012180447_100000210317 [1,1,0,0,0,0|1,0,1]=4 13072 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100000210759_100016084084 [1,1,0,0,0,0|1,0,1]=4 13073 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100016084084_100000210317 [1,1,0,0,0,0|1,0,1]=4 13074 B12R0.248 CCCCCCCNCC(C)CC 2230a_100000229938_100000748023 [1,1,0,0,0,0|1,0,1]=4 13075 B12R0.248 CCCCCCCNCC(C)CC 2230a_100020588543_100000210681 [1,1,0,0,0,0|1,0,1]=4 13076 B12R0.248 CCCCCCCNCC(C)CC 270004a_100000229938_100000243153 [1,1,0,0,0,0|1,0,1]=4 13077 B12R0.248 CCCCCCCNCC(C)CO 34a_100000744482_100000210614 [1,1,0,0,0,0|1,0,1]=4 13078 B12R0.248 CCCCCCCNCC(O)CC 2230a_100000229938_100011218378 [1,1,0,0,0,0|1,0,1]=4 13079 B12R0.248 CCCCCCCNCC(O)CC 2230a_100011218483_100000210681 [1,1,0,0,0,0|1,0,1]=4 13080 B12R0.248 CCCCCCCNCC(O)CO 2230a_100000229938_100011219619 [1,1,0,0,0,0|1,0,1]=4 13081 B12R0.248 CCCCCCCNC[C@@H](C)CC 2230a_100000229938_100009816398 [1,1,0,0,0,0|1,0,1]=4 13082 B12R0.248 CCCCCCCNC[C@@H](C)CO 2230a_100000229938_100000059175 [1,1,0,0,0,0|1,0,1]=4 13083 B12R0.248 CCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210614 [1,1,0,0,0,0|1,0,1]=4 13084 B12R0.248 CCCCCCCNC[C@@H](O)CF 2230a_100000229938_100015614560 [1,1,0,0,0,0|2,0,0]=4 13085 B12R0.248 CCCCCCCNC[C@@H](O)CO 2230a_100000229938_100009815848 [1,1,0,0,0,0|1,0,1]=4 13086 B12R0.248 CCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210681 [1,1,0,0,0,0|1,0,1]=4 13087 B12R0.248 CCCCCCCOCC(C)CC 34a_100000210272_100000748023 [1,1,0,0,0,0|1,0,1]=4 13088 B12R0.248 CCCCCCCOCC(C)CC 7a_100000210272_100000748023 [1,1,0,0,0,0|1,0,1]=4 13089 B12R0.248 CCCCCCCOCC(C)CN 34a_100000744482_100000210614 [1,1,0,0,0,0|2,0,0]=4 13090 B12R0.248 CCCCCCCOCC(Cl)CCl 34a_100000033668_100000210614 [1,1,0,0,0,0|2,0,0]=4 13091 B12R0.248 CCCCCCCOCC(O)CC 34a_100000210272_100011218378 [1,1,0,0,0,0|1,0,1]=4 13092 B12R0.248 CCCCCCCOCC(O)CC 7a_100000210272_100011218378 [1,1,0,0,0,0|1,0,1]=4 13093 B12R0.248 CCCCCCCOCC(O)CO 34a_100000210272_100011219619 [1,1,0,0,0,0|1,0,1]=4 13094 B12R0.248 CCCCCCCOCC(O)CO 7a_100000210272_100011219619 [1,1,0,0,0,0|1,0,1]=4 13095 B12R0.248 CCCCCCCOC[C@@H](C)CC 34a_100000210272_100009816398 [1,1,0,0,0,0|1,0,1]=4 13096 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100000210272_100009816398 [1,1,0,0,0,0|1,0,1]=4 13097 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210614 [1,1,0,0,0,0|1,0,1]=4 13098 B12R0.248 CCCCCCCOC[C@@H](C)CO 34a_100000210272_100000059175 [1,1,0,0,0,0|1,0,1]=4 13099 B12R0.248 CCCCCCCOC[C@@H](C)CO 7a_100000210272_100000059175 [1,1,0,0,0,0|1,0,1]=4 13100 B12R0.248 CCCCCCCOC[C@@H](O)CF 34a_100000210272_100015614560 [1,1,0,0,0,0|2,0,0]=4 13101 B12R0.248 CCCCCCCOC[C@@H](O)CF 7a_100000210272_100015614560 [1,1,0,0,0,0|2,0,0]=4 13102 B12R0.248 CCCCCCCOC[C@@H](O)CO 34a_100000210272_100009815848 [1,1,0,0,0,0|1,0,1]=4 13103 B12R0.248 CCCCCCCOC[C@@H](O)CO 7a_100000210272_100009815848 [1,1,0,0,0,0|1,0,1]=4 13104 B12R0.248 CCCCCCCOC[C@H](F)CN 34a_100015665980_100000210614 [1,1,0,0,0,0|2,0,0]=4 13105 B12R0.248 CCCCCCCSCC(C)CC 62a_100000210614_100000748023 [1,1,0,0,0,0|1,0,1]=4 13106 B12R0.248 CCCCCCCSCC(C)CC 62a_100000748023_100000210316 [1,1,0,0,0,0|1,0,1]=4 13107 B12R0.248 CCCCCCCSCC(O)CC 62a_100000210614_100011218378 [1,1,0,0,0,0|1,0,1]=4 13108 B12R0.248 CCCCCCCSCC(O)CC 62a_100011218378_100000210316 [1,1,0,0,0,0|1,0,1]=4 13109 B12R0.248 CCCCCCCSCC(O)CO 62a_100000210614_100011219619 [1,1,0,0,0,0|1,0,1]=4 13110 B12R0.248 CCCCCCCSCC(O)CO 62a_100011219619_100000210316 [1,1,0,0,0,0|1,0,1]=4 13111 B12R0.248 CCCCCCCSC[C@@H](C)CC 62a_100000210614_100009816398 [1,1,0,0,0,0|1,0,1]=4 13112 B12R0.248 CCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210316 [1,1,0,0,0,0|1,0,1]=4 13113 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210316 [1,1,0,0,0,0|1,0,1]=4 13114 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000210614_100000059175 [1,1,0,0,0,0|1,0,1]=4 13115 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100000210614_100015614560 [1,1,0,0,0,0|2,0,0]=4 13116 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210316 [1,1,0,0,0,0|2,0,0]=4 13117 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100000210614_100009815848 [1,1,0,0,0,0|1,0,1]=4 13118 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210316 [1,1,0,0,0,0|1,0,1]=4 13119 B12R0.248 CCCCCCNCCC(C)CC 2230a_100020591266_100000210314 [1,1,0,0,0,0|1,0,1]=4 13120 B12R0.248 CCCCCCNCCC(C)CO 2230a_106354213184_100000210314 [1,1,0,0,0,0|1,0,1]=4 13121 B12R0.248 CCCCCCNCCC(C)CO 34a_106354213184_100000210314 [1,1,0,0,0,0|1,0,1]=4 13122 B12R0.248 CCCCCCOCCC(C)CC 7a_100011215188_100000210314 [1,1,0,0,0,0|1,0,1]=4 13123 B12R0.248 CCCCCOCCCC(C)CC 7a_100011216074_100000210326 [1,1,0,0,0,0|1,0,1]=4 13124 B12R0.248 CCCCCOCCC[C@@H](C)CN 34a_100160569302_100000718602 [1,1,0,0,0,0|2,0,0]=4 13125 B12R0.248 CCCOCCCCCC(C)CC 7a_200000035636_100000210303 [1,1,0,0,0,0|1,0,1]=4 13126 B12R0.248 CCN(C)CCCCCCCCO 2230a_100000225621_100000033203 [1,1,0,0,0,0|1,0,1]=4 13127 B12R0.248 CCN(C)CCCCCCCCO 269982a_100000225621_100000033203 [1,1,0,0,0,0|1,0,1]=4 13128 B12R0.248 CCN(C)CCCSCCCC=O 62a_200011292268_100015186262 [1,1,0,0,0,0|2,0,0]=4 13129 B12R0.248 CC[C@H](C)CNCCCCCCO 2230a_100000686447_100009816398 [1,1,0,0,0,0|1,0,1]=4 13130 B12R0.248 CC[C@H](C)CNCCCCCCO 34a_100000686447_100009816398 [1,1,0,0,0,0|1,0,1]=4 13131 B12R0.248 CC[C@H](C)COCCCCCC=O 7a_100009816381_100000139337 [1,1,0,0,0,0|1,0,0]=3 13132 B12R0.248 CC[C@H](C)COCCCCCCBr 34a_100011215345_100009816398 [1,1,0,0,0,0|2,0,0]=4 13133 B12R0.248 CC[C@H](C)COCCCCCCBr 7a_100011215345_100009816398 [1,1,0,0,0,0|2,0,0]=4 13134 B12R0.248 CC[C@H](C)COCCCCCCCl 34a_100000766143_100009816398 [1,1,0,0,0,0|2,0,0]=4 13135 B12R0.248 CC[C@H](C)COCCCCCCCl 7a_100000766143_100009816398 [1,1,0,0,0,0|2,0,0]=4 13136 B12R0.248 CC[C@H](C)COCCCCCCF 34a_100000732779_100009816398 [1,1,0,0,0,0|2,0,0]=4 13137 B12R0.248 CC[C@H](C)COCCCCCCF 7a_100000732779_100009816398 [1,1,0,0,0,0|2,0,0]=4 13138 B12R0.248 CC[C@H](C)COCCCCCCF 7a_100009816381_100015922095 [1,1,0,0,0,0|2,0,0]=4 13139 B12R0.248 CC[C@H](C)COCCCCCCN 34a_100000686447_100009816398 [1,1,0,0,0,0|2,0,0]=4 13140 B12R0.248 CC[C@H](C)COCCCCCCO 7a_100009816381_100000766143 [1,1,0,0,0,0|1,0,1]=4 13141 B12R0.248 CC[C@H](C)CSCCCCCC=O 62a_100000139337_100009816398 [1,1,0,0,0,0|1,0,0]=3 13142 B12R0.248 CC[C@H](C)CSCCCCCC=O 62a_100009816398_100000139337 [1,1,0,0,0,0|1,0,0]=3 13143 B12R0.248 CC[C@H](C)CSCCCCCCF 62a_100009816398_100015922095 [1,1,0,0,0,0|2,0,0]=4 13144 B12R0.248 CC[C@H](C)CSCCCCCCF 62a_100015922095_100009816398 [1,1,0,0,0,0|2,0,0]=4 13145 B12R0.248 CC[C@H](C)CSCCCCCCO 62a_100000766143_100009816398 [1,1,0,0,0,0|1,0,1]=4 13146 B12R0.248 CC[C@H](C)CSCCCCCCO 62a_100009816398_100000766143 [1,1,0,0,0,0|1,0,1]=4 13147 B12R0.248 COC(C)CCOCCCCC=O 7a_100000764861_100000139335 [1,1,0,0,0,0|2,0,0]=4 13148 B12R0.248 CO[C@H](C)CNCCCCCC=O 2230a_100020591295_100000139337 [1,1,0,0,0,0|2,0,0]=4 13149 B12R0.248 C[C@@H](CO)CSCCCCCC=O 62a_100000059175_100000139337 [1,1,0,0,0,0|2,0,0]=4 13150 B12R0.248 C[C@@H](CO)CSCCCCCC=O 62a_100000139337_100000059175 [1,1,0,0,0,0|2,0,0]=4 13151 B12R0.248 O=CCCCCCNC[C@H](O)CO 2230a_100020644852_100000139337 [1,1,0,0,0,0|2,0,0]=4 13152 B12R0.248 O=CCCCCCSCC(O)CO 62a_100000139337_100011219619 [1,1,0,0,0,0|2,0,0]=4 13153 B12R0.248 O=CCCCCCSCC(O)CO 62a_100011219619_100000139337 [1,1,0,0,0,0|2,0,0]=4 13154 B12R0.248 O=CCCCCCSC[C@@H](O)CF 62a_100000139337_100015614560 [1,1,0,0,0,0|2,0,0]=4 13155 B12R0.248 O=CCCCCCSC[C@@H](O)CF 62a_100015614560_100000139337 [1,1,0,0,0,0|2,0,0]=4 13156 B12R0.248 O=CCCCCCSC[C@@H](O)CO 62a_100000139337_100009815848 [1,1,0,0,0,0|2,0,0]=4 13157 B12R0.248 O=CCCCCCSC[C@@H](O)CO 62a_100009815848_100000139337 [1,1,0,0,0,0|2,0,0]=4 13158 B14R0.73 C=CCC(=O)CC(O)CCCCCCC 1458a_200011667753_100000210623 [0,2,0,0,0,0|1,0,1]=4 13159 B14R0.73 C=CCCCCCC(=O)CC(C)CCC 1458a_100000748435_100000700193 [0,2,0,0,0,0|1,0,1]=4 13160 B14R0.73 C=CCCCCCC(=O)CC(C)CCC 1458a_100011934241_100011216630 [0,2,0,0,0,0|1,0,1]=4 13161 B14R0.73 C=CC[C@@H](C)OC(C)CCCCCCC 34a_100000731007_200011218727 [0,2,0,0,0,0|2,0,0]=4 13162 B14R0.73 C=CC[C@@H](C)OC(C)CCCCCCC 7a_100000731007_200011218727 [0,2,0,0,0,0|2,0,0]=4 13163 B14R0.73 COCC(O)CN(C)CCCCCC=O 2230a_100000739405_100000139337 [0,2,0,0,0,0|2,0,0]=4 13164 B14R0.73 COCC(O)CN(C)CCCCCC=O 269982a_100000739405_100000139337 [0,2,0,0,0,0|2,0,0]=4 13165 B14R0.83 C=CCC(=O)C(O)CCCCCCCC 1458a_200011995895_100000210623 [0,2,0,0,0,0|1,0,1]=4 13166 B14R0.83 C=CCC(C)C(=O)CCCCCCCC 1458a_100011216819_100000210759 [0,2,0,0,0,0|1,0,1]=4 13167 B14R0.83 C=CCCCCCCC(=O)C(C)CCC 1458a_100000210906_100011215473 [0,2,0,0,0,0|1,0,1]=4 13168 B14R0.83 C=CCCCCCCC(=O)C(C)CCC 1458a_100011809334_100000766640 [0,2,0,0,0,0|1,0,1]=4 13169 B14R0.83 C=CCCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100011215473 [0,2,0,0,0,0|1,0,1]=4 13170 B14R0.83 C=CCCCCCOC(C)C(C)CCC 34a_100000708338_100000700193 [0,2,0,0,0,0|2,0,0]=4 13171 B14R0.83 C=CCCCCCOC(C)C(C)CCC 7a_100000708338_100000700193 [0,2,0,0,0,0|2,0,0]=4 13172 B14R0.83 C=CCN(C)C(C)CCCCCCCC 270004a_100000225617_100011216694 [0,2,0,0,0,0|2,0,0]=4 13173 B14R0.83 CCCC(C)C(C)OCCCCCC=O 7a_100000708338_100000139337 [0,2,0,0,0,0|1,0,0]=3 13174 B14R0.90 C#CC(CCC)OCCCCCCC=C 34a_200011217317_100011215473 [0,2,0,0,0,0|2,0,0]=4 13175 B14R0.90 C#CC(CCC)OCCCCCCC=C 7a_200011217317_100011215473 [0,2,0,0,0,0|2,0,0]=4 13176 B14R0.90 C=CCC(C=C)OCCCCCCCC 34a_100000038011_100000210759 [0,2,0,0,0,0|2,0,0]=4 13177 B14R0.90 C=CCC(C=C)OCCCCCCCC 7a_100000038011_100000210759 [0,2,0,0,0,0|2,0,0]=4 13178 B14R0.90 C=CCCCCCCCN(CC)CCC 2230a_100000226822_100012355270 [0,2,0,0,0,0|2,0,0]=4 13179 B14R0.90 C=CCCCCCCCN(CC)CCC 269982a_100000226822_100012355270 [0,2,0,0,0,0|2,0,0]=4 13180 B14R0.90 C=CCCCCCCNC(CC)CCC 2230a_100000747048_100011215473 [0,2,0,0,0,0|2,0,0]=4 13181 B14R0.90 C=CCCCCCCN[C@H](CO)CCC 2230a_100000732646_100011215473 [0,2,0,0,0,0|2,0,0]=4 13182 B14R0.90 C=CCCCCCCN[C@H](CO)CCC 34a_100000732646_100011215473 [0,2,0,0,0,0|2,0,0]=4 13183 B14R0.90 C=CCCCCCCOC(C#N)CCC 34a_100000686963_100011215473 [0,2,0,0,0,0|2,0,0]=4 13184 B14R0.90 C=CCCCCCCOC(C#N)CCC 7a_100000686963_100011215473 [0,2,0,0,0,0|2,0,0]=4 13185 B14R0.90 C=CCCCCCCOC(C=C)CCC 34a_100011216692_100011215473 [0,2,0,0,0,0|2,0,0]=4 13186 B14R0.90 C=CCCCCCCOC(C=C)CCC 7a_100011216692_100011215473 [0,2,0,0,0,0|2,0,0]=4 13187 B14R0.90 C=CCCCCCCOC(CC)CCC 34a_100000687864_100011215473 [0,2,0,0,0,0|2,0,0]=4 13188 B14R0.90 C=CCCCCCCOC(CC)CCC 7a_100000687864_100011215473 [0,2,0,0,0,0|2,0,0]=4 13189 B14R0.90 C=CCCCCCCOC(CC)CCC 7a_200011216477_100011219200 [0,2,0,0,0,0|2,0,0]=4 13190 B14R0.90 C=CCCCCCCSC(CC)CCC 62a_100011215473_100011219200 [0,2,0,0,0,0|2,0,0]=4 13191 B14R0.90 C=CCCCCCCSC(CC)CCC 62a_100011219200_100011215473 [0,2,0,0,0,0|2,0,0]=4 13192 B14R0.90 C=CCCCCOCCC(CCC)SC 34a_100000032865_100011215482 [0,2,0,0,0,0|2,0,0]=4 13193 B14R0.90 C=CCCCCOCCC(CCC)SC 7a_100000032865_100011215482 [0,2,0,0,0,0|2,0,0]=4 13194 B14R0.90 C=CC[C@H](CO)NCCCCCCCC 2230a_100020615467_100000210759 [0,2,0,0,0,0|2,0,0]=4 13195 B14R0.90 CCCC(CCOCCCCC=O)SC 7a_100000032865_100000139335 [0,2,0,0,0,0|1,0,0]=3 13196 B14R0.90 CCOC(CC)CNCCCCCC=O 2230a_100015183923_100000139337 [0,2,0,0,0,0|2,0,0]=4 13197 B14R0.181 C=CC(C)C(=O)CCCCCCCCC 1458a_100011216780_100000210670 [0,2,0,0,0,0|1,0,1]=4 13198 B14R0.181 C=CC(C)N(C)CCCCCCCCC 269982a_100000232482_100011215867 [0,2,0,0,0,0|2,0,0]=4 13199 B14R0.181 C=CCCCCCCCC(=O)C(C)CC 1458a_100011192722_100012355270 [0,2,0,0,0,0|1,0,1]=4 13200 B14R0.181 C=CCCCCCCCC(=O)C(C)CC 1458a_100011216160_100000758301 [0,2,0,0,0,0|1,0,1]=4 13201 B14R0.181 C=CCCCCCCCC(=O)C(O)CC 1458a_100011196387_100012355270 [0,2,0,0,0,0|1,0,1]=4 13202 B14R0.181 C=CCCCCCCCN(C)C(C)CC 2230a_100000741768_100012355270 [0,2,0,0,0,0|2,0,0]=4 13203 B14R0.181 C=CCCCCCCCN(C)C(C)CC 269982a_100000741768_100012355270 [0,2,0,0,0,0|2,0,0]=4 13204 B14R0.181 C=CCCCCCCOC(C)C(C)CC 7a_100011215189_100011215473 [0,2,0,0,0,0|2,0,0]=4 13205 B14R0.181 C=C[C@@H](C)[C@@H](C)OCCCCCCCC 34a_100015455354_100000210759 [0,2,0,0,0,0|2,0,0]=4 13206 B14R0.181 C=C[C@@H](C)[C@@H](C)OCCCCCCCC 7a_100015455354_100000210759 [0,2,0,0,0,0|2,0,0]=4 13207 B14R0.181 CCN(C)C(C)COCCCCCC=O 7a_100000732741_100000139337 [0,2,0,0,0,0|2,0,0]=4 13208 B14R0.199 C=CCC(C)COC(C)CCCCCC 34a_100009832082_100011215978 [0,2,0,0,0,0|2,0,0]=4 13209 B14R0.199 C=CCC(C)COC(C)CCCCCC 7a_100009832082_100011215978 [0,2,0,0,0,0|2,0,0]=4 13210 B14R0.199 C=CCCCNC(C)CCC(C)CCC 270004a_100000700776_200011216527 [0,2,0,0,0,0|2,0,0]=4 13211 B14R0.199 C=CC[C@@H](N)COC(C)CCCCCC 34a_100020615467_100011215978 [0,2,0,0,0,0|2,0,0]=4 13212 B14R0.391 C=C(C)CC(=O)CCCCCCCCC 1458a_100000210558_100000748629 [0,2,0,0,0,0|1,0,1]=4 13213 B14R0.391 C=C(C)CN(C)CCCCCCCCC 2230a_100000225649_100011214924 [0,2,0,0,0,0|2,0,0]=4 13214 B14R0.391 C=C(C)CN(C)CCCCCCCCC 2230a_100000232482_100000748629 [0,2,0,0,0,0|2,0,0]=4 13215 B14R0.391 C=C(C)CN(C)CCCCCCCCC 269982a_100000225649_100000210670 [0,2,0,0,0,0|2,0,0]=4 13216 B14R0.391 C=C(C)CN(C)CCCCCCCCC 269982a_100000232482_100000748629 [0,2,0,0,0,0|2,0,0]=4 13217 B14R0.391 C=C(F)CC(=O)CCCCCCCCC 1458a_100000210558_100009893438 [0,2,0,0,0,0|1,0,1]=4 13218 B14R0.391 C=C(F)CN(C)CCCCCCCCC 2230a_100000232482_100009893438 [0,2,0,0,0,0|2,0,0]=4 13219 B14R0.391 C=C(F)CN(C)CCCCCCCCC 269982a_100000232482_100009893438 [0,2,0,0,0,0|2,0,0]=4 13220 B14R0.391 C=CCCCCCCCC(=O)CC(C)C 1458a_100000210554_100012355270 [0,2,0,0,0,0|1,0,1]=4 13221 B14R0.391 C=CCCCCCCCC(=O)CC(C)C 1458a_100011216160_100000210624 [0,2,0,0,0,0|1,0,1]=4 13222 B14R0.391 C=CCCCCCCCC(=O)CC(C)O 1458a_100011216160_100011218427 [0,2,0,0,0,0|1,0,1]=4 13223 B14R0.391 C=CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012355270 [0,2,0,0,0,0|1,0,1]=4 13224 B14R0.391 C=CCCCCCCCN(C)CC(C)C 2230a_100000747067_100012355270 [0,2,0,0,0,0|2,0,0]=4 13225 B14R0.391 C=CCCCCCCCN(C)CC(C)C 269982a_100000747067_100012355270 [0,2,0,0,0,0|2,0,0]=4 13226 B14R0.391 C=CCCCCCCCN(C)CC(C)O 2230a_100000227577_100012355270 [0,2,0,0,0,0|2,0,0]=4 13227 B14R0.391 C=CCCCCCCCN(C)CC(C)O 269982a_100000227577_100012355270 [0,2,0,0,0,0|2,0,0]=4 13228 B14R0.391 C=CCCCCCCNC(C)CC(C)C 2230a_100000692259_100011215473 [0,2,0,0,0,0|2,0,0]=4 13229 B14R0.391 C=CCCCCCCOC(C)CC(C)C 34a_100000211805_100011215473 [0,2,0,0,0,0|2,0,0]=4 13230 B14R0.391 C=CCCCCCCOC(C)CC(C)C 34a_200011216477_100000731052 [0,2,0,0,0,0|2,0,0]=4 13231 B14R0.391 C=CCCCCCCOC(C)CC(C)C 7a_100000211805_100011215473 [0,2,0,0,0,0|2,0,0]=4 13232 B14R0.391 C=CCCCCCCOC(C)CC(C)C 7a_200011216477_100000731052 [0,2,0,0,0,0|2,0,0]=4 13233 B14R0.391 C=CCCCCCCSC(C)CC(C)C 62a_100000731052_100011215473 [0,2,0,0,0,0|2,0,0]=4 13234 B14R0.391 C=CCCCCCCSC(C)CC(C)C 62a_100011215473_100000731052 [0,2,0,0,0,0|2,0,0]=4 13235 B14R0.391 C=CCCCCCOC[C@@H](N)CC(C)C 34a_100011830311_100000700193 [0,2,0,0,0,0|2,0,0]=4 13236 B14R0.391 C=CCCCCOCC[C@@H](N)CC(C)C 34a_100161151251_100011215482 [0,2,0,0,0,0|2,0,0]=4 13237 B14R0.391 CC(CSCCCCCC=O)CN(C)C 62a_100000139337_100015348159 [0,2,0,0,0,0|2,0,0]=4 13238 B14R0.391 CC(CSCCCCCC=O)CN(C)C 62a_100015348159_100000139337 [0,2,0,0,0,0|2,0,0]=4 13239 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100000210558_100000187820 [0,2,0,0,0,0|0,0,1]=3 13240 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210670 [0,2,0,0,0,0|0,0,1]=3 13241 B14R0.391 CCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210558_100020667443 [0,2,0,0,0,0|0,0,1]=3 13242 B14R0.391 CCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210558_100000761209 [0,2,0,0,0,0|1,0,1]=4 13243 B14R0.391 CCCCCCCCCC(C)CN(C)C 270004a_100102631434_200011218516 [0,2,0,0,0,0|2,0,0]=4 13244 B14R0.391 CCCCCCCCCN(C)CC(=O)N 2230a_100000232482_100000747473 [0,2,0,0,0,0|1,0,0]=3 13245 B14R0.391 CCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011214924 [0,2,0,0,0,0|1,0,0]=3 13246 B14R0.391 CCCCCCCCCN(C)CC(=O)N 269982a_100000232482_100000187820 [0,2,0,0,0,0|1,0,0]=3 13247 B14R0.391 CCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210670 [0,2,0,0,0,0|1,0,0]=3 13248 B14R0.391 CCCCCCCCCN(C)CC(=O)[O-] 269982a_100000232482_100020667443 [0,2,0,0,0,0|1,0,0]=3 13249 B14R0.391 CCCCCCCCCN(C)C[N+](=O)[O-] 269982a_100000232482_100000761209 [0,2,0,0,0,0|2,0,0]=4 13250 B14R0.391 CCCCCCCCNC(=O)CC(=O)N 240690a_100000229939_100134613110 [0,2,0,0,0,0|1,0,1]=4 13251 B14R0.391 CCCCCCCCNC(=O)CC(=O)N 527a_100000229939_100134613110 [0,2,0,0,0,0|1,0,1]=4 13252 B14R0.391 CCCCCCCCSC(C)OC(=O)C 62a_100000210759_100009818208 [0,2,0,0,0,0|2,0,0]=4 13253 B14R0.391 CCCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210317 [0,2,0,0,0,0|2,0,0]=4 13254 B14R0.391 CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210614 [0,2,0,0,0,0|1,0,0]=3 13255 B14R0.391 CCCCOCCNCC(O)CC(=O)O 269956a_100011218706_100000743108 [0,2,0,0,0,0|2,0,0]=4 13256 B14R0.391 CN(CCCCCCCCO)CC(=O)N 2230a_100000739694_100000033203 [0,2,0,0,0,0|2,0,0]=4 13257 B14R0.391 CN(CCCCCCCCO)CC(=O)O 269956a_100000746989_100000033203 [0,2,0,0,0,0|2,0,0]=4 13258 B14R0.391 NC(=O)CC(=O)CCCCCCCCO 1458a_100134613110_100000033203 [0,2,0,0,0,0|1,0,1]=4 13259 B14R0.391 O=C(O)CC(O)CNCCCCCCF 269956a_100011218706_100015922095 [0,2,0,0,0,0|2,0,0]=4 13260 B14R0.391 O=C(O)CC(O)CNCCCCCCO 269956a_100011218706_100000766143 [0,2,0,0,0,0|2,0,0]=4 13261 B14R0.393 C#CCC(=O)CCCCCCCCCC 1458a_100000210375_100000184674 [0,2,0,0,0,0|1,0,1]=4 13262 B14R0.393 C#CCC(=O)CCCCCCCCCC 1458a_100011220946_100000210319 [0,2,0,0,0,0|1,0,1]=4 13263 B14R0.393 C#CCC(C)OCCCCCCCCC 34a_100000685586_100011214924 [0,2,0,0,0,0|1,0,1]=4 13264 B14R0.393 C#CCC(C)OCCCCCCCCC 7a_100000685586_100000210328 [0,2,0,0,0,0|1,0,1]=4 13265 B14R0.393 C#CCCCCCCCCC(=O)CCC 1458a_100000029693_100000210303 [0,2,0,0,0,0|1,0,1]=4 13266 B14R0.393 C#CCCCCCCCNC(C)CCC 2230a_100000741246_100153394163 [0,2,0,0,0,0|1,0,1]=4 13267 B14R0.393 C#CCCCCCCCOC(C)CCC 34a_100000054614_100000766640 [0,2,0,0,0,0|1,0,1]=4 13268 B14R0.393 C#CCCCCCCCOC(C)CCC 34a_100000764384_100153394163 [0,2,0,0,0,0|1,0,1]=4 13269 B14R0.393 C#CCCCCCCCOC(C)CCC 7a_100000054614_100000766640 [0,2,0,0,0,0|1,0,1]=4 13270 B14R0.393 C#CCCCCCCCOC(C)CCC 7a_100000764384_100153394163 [0,2,0,0,0,0|1,0,1]=4 13271 B14R0.393 C#CCCCCCCCSC(C)CCC 62a_100000766640_100153394163 [0,2,0,0,0,0|1,0,1]=4 13272 B14R0.393 C#CCCCCCCCSC(C)CCC 62a_100153394163_100000766640 [0,2,0,0,0,0|1,0,1]=4 13273 B14R0.393 C#CCCCCCCOCC(C)CCC 34a_100000688023_100012276617 [0,2,0,0,0,0|1,0,1]=4 13274 B14R0.393 C#CCCCCCCOCC(C)CCC 34a_100011217361_100011216630 [0,2,0,0,0,0|1,0,1]=4 13275 B14R0.393 C#CCCCCCCOCC(C)CCC 7a_100000688023_100012276617 [0,2,0,0,0,0|1,0,1]=4 13276 B14R0.393 C#CCCCCCCOCC(C)CCC 7a_100011217361_100011216630 [0,2,0,0,0,0|1,0,1]=4 13277 B14R0.393 C#CCCCCCCOC[C@@H](N)CCC 34a_100000732646_100012276617 [0,2,0,0,0,0|1,0,1]=4 13278 B14R0.393 C#CCCCCCCSCC(C)CCC 62a_100011216630_100012276617 [0,2,0,0,0,0|1,0,1]=4 13279 B14R0.393 C#CCCCCCCSCC(C)CCC 62a_100012276617_100011216630 [0,2,0,0,0,0|1,0,1]=4 13280 B14R0.393 C#CCCCCCOCCC(C)CCC 34a_100011217855_100012094781 [0,2,0,0,0,0|1,0,1]=4 13281 B14R0.393 C#CCCCCCOCCC(C)CCC 7a_100011217855_100012094781 [0,2,0,0,0,0|1,0,1]=4 13282 B14R0.393 C#CCCCCCOCC[C@@H](N)CCC 34a_100015193777_100012094781 [0,2,0,0,0,0|1,0,1]=4 13283 B14R0.393 C#CCCCCOCCCC(C)CCC 34a_100011713154_100010269958 [0,2,0,0,0,0|1,0,1]=4 13284 B14R0.393 C#CCCCCOCCCC(C)CCC 7a_100011713154_100010269958 [0,2,0,0,0,0|1,0,1]=4 13285 B14R0.393 C#CCN(C)CCCCCCCCCC 2230a_100000207566_100000038162 [0,2,0,0,0,0|1,0,1]=4 13286 B14R0.393 C#CCN(C)CCCCCCCCCC 2230a_100000225692_100000210320 [0,2,0,0,0,0|1,0,1]=4 13287 B14R0.393 C#CCN(C)CCCCCCCCCC 34a_100000225692_100000210320 [0,2,0,0,0,0|1,0,1]=4 13288 B14R0.393 C/C=C/C(C)OCCCCCCCCC 34a_200102604097_100011214924 [0,2,0,0,0,0|1,0,1]=4 13289 B14R0.393 C=CCC(=O)CCCCCCCCCC 1458a_100000210193_100000210319 [0,2,0,0,0,0|1,0,0]=3 13290 B14R0.393 C=CCC(=O)CCCCCCCCCC 1458a_100000210375_100000210623 [0,2,0,0,0,0|1,0,0]=3 13291 B14R0.393 C=CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210623 [0,2,0,0,0,0|1,0,1]=4 13292 B14R0.393 C=CCC(=O)CCCCCCCCCO 1458a_100000210193_100009813782 [0,2,0,0,0,0|1,0,1]=4 13293 B14R0.393 C=CCC(=O)COCCCCCCCC 1458a_100000759886_100000210623 [0,2,0,0,0,0|1,0,1]=4 13294 B14R0.393 C=CCC(=O)NCCCCCCCCC 11a_100000212291_100000210193 [0,2,0,0,0,0|1,0,1]=4 13295 B14R0.393 C=CCC(=O)NCCCCCCCCC 1626a_100000212291_100000210193 [0,2,0,0,0,0|1,0,1]=4 13296 B14R0.393 C=CCC(=O)NCCCCCCCCC 240690a_100000212291_100000210193 [0,2,0,0,0,0|1,0,1]=4 13297 B14R0.393 C=CCC(=O)NCCCCCCCCC 527a_100000212291_100000210193 [0,2,0,0,0,0|1,0,1]=4 13298 B14R0.393 C=CCC(C)COCCCCCCCC 34a_100009832082_100000210759 [0,2,0,0,0,0|1,0,0]=3 13299 B14R0.393 C=CCC(C)COCCCCCCCC 7a_100009832082_100000210759 [0,2,0,0,0,0|1,0,0]=3 13300 B14R0.393 C=CCC(C)COCCCCCCCO 34a_100009832082_100000760002 [0,2,0,0,0,0|2,0,0]=4 13301 B14R0.393 C=CCC(C)COCCCCCCCO 7a_100009832082_100000760002 [0,2,0,0,0,0|2,0,0]=4 13302 B14R0.393 C=CCC(C)COCCCCCCOC 34a_100009832082_100011998445 [0,2,0,0,0,0|2,0,0]=4 13303 B14R0.393 C=CCC(C)COCCCCCCOC 7a_100009832082_100011998445 [0,2,0,0,0,0|2,0,0]=4 13304 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211349_100000210303 [0,2,0,0,0,0|1,0,0]=3 13305 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211992_100011933949 [0,2,0,0,0,0|1,0,0]=3 13306 B14R0.393 C=CCCCCCCCCC(=O)CCF 1458a_100000211349_100011217306 [0,2,0,0,0,0|1,0,1]=4 13307 B14R0.393 C=CCCCCCCCCC(=O)CCO 1458a_100000211349_100000211926 [0,2,0,0,0,0|1,0,1]=4 13308 B14R0.393 C=CCCCCCCCCC(=O)CCO 1458a_100011216618_100011933949 [0,2,0,0,0,0|1,0,1]=4 13309 B14R0.393 C=CCCCCCCCCC(=O)COC 1458a_100000210968_100011933949 [0,2,0,0,0,0|1,0,1]=4 13310 B14R0.393 C=CCCCCCCCCC(=O)CSC 1458a_100000184570_100011933949 [0,2,0,0,0,0|1,0,1]=4 13311 B14R0.393 C=CCCCCCCCCC(=O)NCC 11a_100015525214_100000211349 [0,2,0,0,0,0|1,0,1]=4 13312 B14R0.393 C=CCCCCCCCCC(=O)NCC 240690a_100015525214_100000211349 [0,2,0,0,0,0|1,0,1]=4 13313 B14R0.393 C=CCCCCCCCCC(=O)NCC 527a_100015525214_100000211349 [0,2,0,0,0,0|1,0,1]=4 13314 B14R0.393 C=CCCCCCCCCN(C)CCC 2230a_100000747261_100011933949 [0,2,0,0,0,0|1,0,0]=3 13315 B14R0.393 C=CCCCCCCCCN(C)CCC 269982a_100000747261_100011933949 [0,2,0,0,0,0|1,0,0]=3 13316 B14R0.393 C=CCCCCCCCCN(C)CCO 2230a_100000210263_100011933949 [0,2,0,0,0,0|2,0,0]=4 13317 B14R0.393 C=CCCCCCCCCN(C)CCO 269982a_100000210263_100011933949 [0,2,0,0,0,0|2,0,0]=4 13318 B14R0.393 C=CCCCCCCCNC(C)CCC 2230a_100000741246_100012355270 [0,2,0,0,0,0|1,0,0]=3 13319 B14R0.393 C=CCCCCCCCN[C@H](C)CCO 2230a_100000706166_100012355270 [0,2,0,0,0,0|2,0,0]=4 13320 B14R0.393 C=CCCCCCCCN[C@H](C)CCO 34a_100000706166_100012355270 [0,2,0,0,0,0|2,0,0]=4 13321 B14R0.393 C=CCCCCCCCN[C@H](C)COC 2230a_100000764878_100012355270 [0,2,0,0,0,0|2,0,0]=4 13322 B14R0.393 C=CCCCCCCCOC(C)CCBr 34a_100012276601_100012355270 [0,2,0,0,0,0|2,0,0]=4 13323 B14R0.393 C=CCCCCCCCOC(C)CCC 34a_100000730831_100000766640 [0,2,0,0,0,0|1,0,0]=3 13324 B14R0.393 C=CCCCCCCCOC(C)CCC 34a_100000764384_100012355270 [0,2,0,0,0,0|1,0,0]=3 13325 B14R0.393 C=CCCCCCCCOC(C)CCC 7a_100000730831_100000766640 [0,2,0,0,0,0|1,0,0]=3 13326 B14R0.393 C=CCCCCCCCOC(C)CCC 7a_100000764384_100012355270 [0,2,0,0,0,0|1,0,0]=3 13327 B14R0.393 C=CCCCCCCCOC(C)CCO 34a_100000730831_100009893172 [0,2,0,0,0,0|2,0,0]=4 13328 B14R0.393 C=CCCCCCCCOC(C)CCO 7a_100000730831_100009893172 [0,2,0,0,0,0|2,0,0]=4 13329 B14R0.393 C=CCCCCCCCOC(C)COC 34a_100000730831_100000765312 [0,2,0,0,0,0|2,0,0]=4 13330 B14R0.393 C=CCCCCCCCOC(C)COC 7a_100000730831_100000765312 [0,2,0,0,0,0|2,0,0]=4 13331 B14R0.393 C=CCCCCCCCO[C@H](C)COC 34a_100011934205_100012355270 [0,2,0,0,0,0|2,0,0]=4 13332 B14R0.393 C=CCCCCCCCSC(C)CCC 62a_100000766640_100012355270 [0,2,0,0,0,0|1,0,0]=3 13333 B14R0.393 C=CCCCCCCCSC(C)CCC 62a_100012355270_100000766640 [0,2,0,0,0,0|1,0,0]=3 13334 B14R0.393 C=CCCCCCCCSC(C)CCO 62a_100009893172_100012355270 [0,2,0,0,0,0|2,0,0]=4 13335 B14R0.393 C=CCCCCCCCSC(C)CCO 62a_100012355270_100009893172 [0,2,0,0,0,0|2,0,0]=4 13336 B14R0.393 C=CCCCCCCCSC(C)COC 62a_100000765312_100012355270 [0,2,0,0,0,0|2,0,0]=4 13337 B14R0.393 C=CCCCCCCCSC(C)COC 62a_100012355270_100000765312 [0,2,0,0,0,0|2,0,0]=4 13338 B14R0.393 C=CCCCCCCNCC(O)COC 2230a_100000756049_100011215473 [0,2,0,0,0,0|2,0,0]=4 13339 B14R0.393 C=CCCCCCCNCC(O)COC 34a_100000756049_100011215473 [0,2,0,0,0,0|2,0,0]=4 13340 B14R0.393 C=CCCCCCCOCC(=O)CCC 7a_200011216477_100000747444 [0,2,0,0,0,0|1,0,1]=4 13341 B14R0.393 C=CCCCCCCOCC(C)CCC 34a_100000688023_100011215473 [0,2,0,0,0,0|1,0,0]=3 13342 B14R0.393 C=CCCCCCCOCC(C)CCC 34a_200011216477_100011216630 [0,2,0,0,0,0|1,0,0]=3 13343 B14R0.393 C=CCCCCCCOCC(C)CCC 7a_100000688023_100011215473 [0,2,0,0,0,0|1,0,0]=3 13344 B14R0.393 C=CCCCCCCOCC(C)CCC 7a_200011216477_100011216630 [0,2,0,0,0,0|1,0,0]=3 13345 B14R0.393 C=CCCCCCCOCC(C)CCN 34a_106354213184_100011215473 [0,2,0,0,0,0|2,0,0]=4 13346 B14R0.393 C=CCCCCCCOCC(N)COC 34a_100000724102_100011215473 [0,2,0,0,0,0|2,0,0]=4 13347 B14R0.393 C=CCCCCCCOCC(O)COC 34a_200011216477_100011215053 [0,2,0,0,0,0|2,0,0]=4 13348 B14R0.393 C=CCCCCCCOCC(O)COC 7a_200011216477_100011215053 [0,2,0,0,0,0|2,0,0]=4 13349 B14R0.393 C=CCCCCCCOC[C@@H](N)CCC 34a_100000732646_100011215473 [0,2,0,0,0,0|1,0,0]=3 13350 B14R0.393 C=CCCCCCCSCC(=O)CCC 62a_100000747444_100011215473 [0,2,0,0,0,0|1,0,1]=4 13351 B14R0.393 C=CCCCCCCSCC(=O)CCC 62a_100011215473_100000747444 [0,2,0,0,0,0|1,0,1]=4 13352 B14R0.393 C=CCCCCCCSCC(C)CCC 62a_100011215473_100011216630 [0,2,0,0,0,0|1,0,0]=3 13353 B14R0.393 C=CCCCCCCSCC(C)CCC 62a_100011216630_100011215473 [0,2,0,0,0,0|1,0,0]=3 13354 B14R0.393 C=CCCCCCCSCC(O)COC 62a_100011215053_100011215473 [0,2,0,0,0,0|2,0,0]=4 13355 B14R0.393 C=CCCCCCCSCC(O)COC 62a_100011215473_100011215053 [0,2,0,0,0,0|2,0,0]=4 13356 B14R0.393 C=CCCCCCOCCC(C)CCC 34a_100011217855_100000700193 [0,2,0,0,0,0|1,0,0]=3 13357 B14R0.393 C=CCCCCCOCCC(C)CCC 7a_100011217855_100000700193 [0,2,0,0,0,0|1,0,0]=3 13358 B14R0.393 C=CCCCCCOCC[C@@H](N)CCC 34a_100015193777_100000700193 [0,2,0,0,0,0|1,0,0]=3 13359 B14R0.393 C=CCCCCOCCCC(C)CCC 34a_100011713154_100011215482 [0,2,0,0,0,0|1,0,0]=3 13360 B14R0.393 C=CCCCCOCCCC(C)CCC 7a_100011713154_100011215482 [0,2,0,0,0,0|1,0,0]=3 13361 B14R0.393 C=CCN(C)CCCCCCCCCC 2230a_100000207566_100000210623 [0,2,0,0,0,0|1,0,0]=3 13362 B14R0.393 C=CCN(C)CCCCCCCCCC 2230a_100000225617_100000210320 [0,2,0,0,0,0|1,0,0]=3 13363 B14R0.393 C=CCN(C)CCCCCCCCCC 269982a_100000207566_100000210623 [0,2,0,0,0,0|1,0,0]=3 13364 B14R0.393 C=CCN(C)CCCCCCCCCC 269982a_100000225617_100000210320 [0,2,0,0,0,0|1,0,0]=3 13365 B14R0.393 C=CCN(C)CCCCCCCCCO 2230a_100000225617_100009813782 [0,2,0,0,0,0|2,0,0]=4 13366 B14R0.393 C=CCN(C)CCCCCCCCCO 269982a_100000225617_100009813782 [0,2,0,0,0,0|2,0,0]=4 13367 B14R0.393 C=CC[C@@H](C)OCCCCCCCCC 34a_100000731007_100011214924 [0,2,0,0,0,0|1,0,0]=3 13368 B14R0.393 C=CC[C@@H](C)OCCCCCCCCC 7a_100000731007_100000210328 [0,2,0,0,0,0|1,0,0]=3 13369 B14R0.393 C=CC[C@@H](C)OCCCCCCCCO 34a_100000731007_100000033203 [0,2,0,0,0,0|2,0,0]=4 13370 B14R0.393 C=CC[C@@H](C)OCCCCCCCCO 7a_100000731007_100000033203 [0,2,0,0,0,0|2,0,0]=4 13371 B14R0.393 C=CC[C@@H](N)COCCCCCCCC 34a_100020615467_100000210759 [0,2,0,0,0,0|1,0,0]=3 13372 B14R0.393 C=CC[C@@H](N)COCCCCCCCO 34a_100020615467_100000760002 [0,2,0,0,0,0|2,0,0]=4 13373 B14R0.393 C=CC[C@@H](N)COCCCCCCOC 34a_100020615467_100011998445 [0,2,0,0,0,0|2,0,0]=4 13374 B14R0.393 CC=CC(=O)CCCCCCCCCC 1458a_100000210699_100000210319 [0,2,0,0,0,0|1,0,1]=4 13375 B14R0.393 CCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210303 [0,2,0,0,0,0|1,0,1]=4 13376 B14R0.393 CCCC(=O)CCCCCCCCCO 1458a_100000211992_100009813782 [0,2,0,0,0,0|0,0,2]=4 13377 B14R0.393 CCCC(=O)OCSCCCCCC=O 62a_100000139337_100000034017 [0,2,0,0,0,0|1,0,1]=4 13378 B14R0.393 CCCC(C)CCCOCCCCC#N 7a_100011713154_100000211819 [0,2,0,0,0,0|1,0,1]=4 13379 B14R0.393 CCCC(C)CCCOCCCCC=O 7a_100011713154_100000139335 [0,2,0,0,0,0|0,0,0]=2 13380 B14R0.393 CCCC(C)CCCOCCCCCF 34a_100011713154_100000729378 [0,2,0,0,0,0|1,0,1]=4 13381 B14R0.393 CCCC(C)CCCOCCCCCF 7a_100011713154_100000729378 [0,2,0,0,0,0|1,0,1]=4 13382 B14R0.393 CCCC(C)CCCOCCCCCO 34a_100011713154_100000746330 [0,2,0,0,0,0|0,0,2]=4 13383 B14R0.393 CCCC(C)CCCOCCCCCO 7a_100011713154_100000746330 [0,2,0,0,0,0|0,0,2]=4 13384 B14R0.393 CCCC(C)CCCOCCCCOC 34a_100011713154_100000755781 [0,2,0,0,0,0|2,0,0]=4 13385 B14R0.393 CCCC(C)CCCOCCCCOC 7a_100011713154_100000730899 [0,2,0,0,0,0|2,0,0]=4 13386 B14R0.393 CCCC(C)CCOCCCCCC#N 7a_100011217855_100009813376 [0,2,0,0,0,0|1,0,1]=4 13387 B14R0.393 CCCC(C)CCOCCCCCC=O 7a_100011217855_100000139337 [0,2,0,0,0,0|0,0,0]=2 13388 B14R0.393 CCCC(C)CCOCCCCCCF 34a_100011217855_100015922095 [0,2,0,0,0,0|1,0,1]=4 13389 B14R0.393 CCCC(C)CCOCCCCCCF 7a_100011217855_100015922095 [0,2,0,0,0,0|1,0,1]=4 13390 B14R0.393 CCCC(C)CCOCCCCCCO 34a_100011217855_100000766143 [0,2,0,0,0,0|0,0,2]=4 13391 B14R0.393 CCCC(C)CCOCCCCCCO 7a_100011217855_100000766143 [0,2,0,0,0,0|0,0,2]=4 13392 B14R0.393 CCCC(C)CNCCCCCCCO 2230a_100011996573_100011216630 [0,2,0,0,0,0|0,0,2]=4 13393 B14R0.393 CCCC(C)CNCCCCCCCO 270004a_100011996573_100000243154 [0,2,0,0,0,0|0,0,2]=4 13394 B14R0.393 CCCC(C)CNCCCCCCCO 34a_100011996573_100011216630 [0,2,0,0,0,0|0,0,2]=4 13395 B14R0.393 CCCC(C)COCCCCCCC#N 7a_100000688023_100009813337 [0,2,0,0,0,0|1,0,1]=4 13396 B14R0.393 CCCC(C)COCCCCCCCBr 34a_100000760002_100011216630 [0,2,0,0,0,0|1,0,1]=4 13397 B14R0.393 CCCC(C)COCCCCCCCBr 7a_100000760002_100011216630 [0,2,0,0,0,0|1,0,1]=4 13398 B14R0.393 CCCC(C)COCCCCCCCN 34a_100011996573_100011216630 [0,2,0,0,0,0|1,0,1]=4 13399 B14R0.393 CCCC(C)COCCCCCCCO 34a_100000688023_100000760002 [0,2,0,0,0,0|0,0,2]=4 13400 B14R0.393 CCCC(C)COCCCCCCCO 7a_100000688023_100000760002 [0,2,0,0,0,0|0,0,2]=4 13401 B14R0.393 CCCC(C)COCCCCCCOC 34a_100000688023_100011998445 [0,2,0,0,0,0|2,0,0]=4 13402 B14R0.393 CCCC(C)COCCCCCCOC 34a_200012092642_100011216630 [0,2,0,0,0,0|2,0,0]=4 13403 B14R0.393 CCCC(C)COCCCCCCOC 7a_100000688023_100011998445 [0,2,0,0,0,0|2,0,0]=4 13404 B14R0.393 CCCC(C)COCCCCCCOC 7a_200012092642_100011216630 [0,2,0,0,0,0|2,0,0]=4 13405 B14R0.393 CCCC(C)CSCCCCCCC#N 62a_100009813337_100011216630 [0,2,0,0,0,0|1,0,1]=4 13406 B14R0.393 CCCC(C)CSCCCCCCC#N 62a_100011216630_100009813337 [0,2,0,0,0,0|1,0,1]=4 13407 B14R0.393 CCCC(C)CSCCCCCCCO 62a_100000760002_100011216630 [0,2,0,0,0,0|0,0,2]=4 13408 B14R0.393 CCCC(C)CSCCCCCCCO 62a_100011216630_100000760002 [0,2,0,0,0,0|0,0,2]=4 13409 B14R0.393 CCCC(C)CSCCCCCCOC 62a_100011216630_100011998445 [0,2,0,0,0,0|2,0,0]=4 13410 B14R0.393 CCCC(C)CSCCCCCCOC 62a_100011998445_100011216630 [0,2,0,0,0,0|2,0,0]=4 13411 B14R0.393 CCCC(C)NCCCCCCCCO 2230a_100000741246_100000033203 [0,2,0,0,0,0|0,0,2]=4 13412 B14R0.393 CCCC(C)NCCCCCCCCO 2230a_102515433106_100000766640 [0,2,0,0,0,0|0,0,2]=4 13413 B14R0.393 CCCC(C)NCCCCCCCCO 270004a_102515433106_100000211909 [0,2,0,0,0,0|0,0,2]=4 13414 B14R0.393 CCCC(C)NCCCCCCCCO 34a_102515433106_100000766640 [0,2,0,0,0,0|0,0,2]=4 13415 B14R0.393 CCCC(C)OCCCCCCCCBr 34a_100009813846_100000766640 [0,2,0,0,0,0|1,0,1]=4 13416 B14R0.393 CCCC(C)OCCCCCCCCBr 7a_100009813846_100000766640 [0,2,0,0,0,0|1,0,1]=4 13417 B14R0.393 CCCC(C)OCCCCCCCCCl 34a_100000033203_100000766640 [0,2,0,0,0,0|1,0,1]=4 13418 B14R0.393 CCCC(C)OCCCCCCCCCl 7a_100000033203_100000766640 [0,2,0,0,0,0|1,0,1]=4 13419 B14R0.393 CCCC(C)OCCCCCCCCN 34a_102515433106_100000766640 [0,2,0,0,0,0|1,0,1]=4 13420 B14R0.393 CCCC(C)OCCCCCCCCO 34a_100000764384_100000033203 [0,2,0,0,0,0|0,0,2]=4 13421 B14R0.393 CCCC(C)OCCCCCCCCO 7a_100000764384_100000033203 [0,2,0,0,0,0|0,0,2]=4 13422 B14R0.393 CCCC(C)SCCCCCCCCO 62a_100000033203_100000766640 [0,2,0,0,0,0|0,0,2]=4 13423 B14R0.393 CCCC(C)SCCCCCCCCO 62a_100000766640_100000033203 [0,2,0,0,0,0|0,0,2]=4 13424 B14R0.393 CCCCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210319 [0,2,0,0,0,0|1,0,1]=4 13425 B14R0.393 CCCCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210319 [0,2,0,0,0,0|1,0,1]=4 13426 B14R0.393 CCCCCCCCCCC(=O)C=CI 1458a_100016256311_100000210319 [0,2,0,0,0,0|1,0,1]=4 13427 B14R0.393 CCCCCCCCCCC(=O)CC#N 1458a_100000210375_100011214920 [0,2,0,0,0,0|1,0,1]=4 13428 B14R0.393 CCCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210319 [0,2,0,0,0,0|1,0,1]=4 13429 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000210375_100000210303 [0,2,0,0,0,0|1,0,1]=4 13430 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000211992_100000210319 [0,2,0,0,0,0|1,0,1]=4 13431 B14R0.393 CCCCCCCCCCC(=O)CCF 1458a_100000210375_100011217306 [0,2,0,0,0,0|1,0,1]=4 13432 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100000210375_100000211926 [0,2,0,0,0,0|0,0,2]=4 13433 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100011216618_100000210319 [0,2,0,0,0,0|0,0,2]=4 13434 B14R0.393 CCCCCCCCCCC(=O)COC 1458a_100000210968_100000210319 [0,2,0,0,0,0|2,0,0]=4 13435 B14R0.393 CCCCCCCCCCC(=O)CSC 1458a_100000184570_100000210319 [0,2,0,0,0,0|2,0,0]=4 13436 B14R0.393 CCCCCCCCCCC(C)NCC 270004a_100015525214_200011219864 [0,2,0,0,0,0|1,0,1]=4 13437 B14R0.393 CCCCCCCCCCC(C)OCC 34a_100011215000_100000210202 [0,2,0,0,0,0|1,0,1]=4 13438 B14R0.393 CCCCCCCCCCC(C)OCC 7a_100011215000_100000210202 [0,2,0,0,0,0|1,0,1]=4 13439 B14R0.393 CCCCCCCCCCC(C)OCF 34a_100011215000_100015361967 [0,2,0,0,0,0|1,0,1]=4 13440 B14R0.393 CCCCCCCCCCC(C)OCF 7a_100011215000_100015361967 [0,2,0,0,0,0|1,0,1]=4 13441 B14R0.393 CCCCCCCCCCN(C)CC#N 2230a_100000207566_100011215382 [0,2,0,0,0,0|1,0,1]=4 13442 B14R0.393 CCCCCCCCCCN(C)CC#N 2230a_100000748184_100000210320 [0,2,0,0,0,0|1,0,1]=4 13443 B14R0.393 CCCCCCCCCCN(C)CC#N 269982a_100000207566_100011214920 [0,2,0,0,0,0|1,0,1]=4 13444 B14R0.393 CCCCCCCCCCN(C)CC=O 2230a_100000207566_200015260668 [0,2,0,0,0,0|0,0,0]=2 13445 B14R0.393 CCCCCCCCCCN(C)CC=O 269982a_100000207566_200015260668 [0,2,0,0,0,0|0,0,0]=2 13446 B14R0.393 CCCCCCCCCCN(C)CCC 2230a_100000207566_100000210303 [0,2,0,0,0,0|1,0,1]=4 13447 B14R0.393 CCCCCCCCCCN(C)CCC 2230a_100000747261_100000210320 [0,2,0,0,0,0|1,0,1]=4 13448 B14R0.393 CCCCCCCCCCN(C)CCC 269982a_100000207566_100000210303 [0,2,0,0,0,0|1,0,1]=4 13449 B14R0.393 CCCCCCCCCCN(C)CCC 269982a_100000747261_100000210320 [0,2,0,0,0,0|1,0,1]=4 13450 B14R0.393 CCCCCCCCCCN(C)CCF 2230a_100000207566_100011217306 [0,2,0,0,0,0|1,0,1]=4 13451 B14R0.393 CCCCCCCCCCN(C)CCF 269982a_100000207566_100011217306 [0,2,0,0,0,0|1,0,1]=4 13452 B14R0.393 CCCCCCCCCCN(C)CCO 2230a_100000207566_100000211926 [0,2,0,0,0,0|0,0,2]=4 13453 B14R0.393 CCCCCCCCCCN(C)CCO 2230a_100000210263_100000210320 [0,2,0,0,0,0|0,0,2]=4 13454 B14R0.393 CCCCCCCCCCN(C)CCO 269982a_100000207566_100000211926 [0,2,0,0,0,0|0,0,2]=4 13455 B14R0.393 CCCCCCCCCCN(C)CCO 269982a_100000210263_100000210320 [0,2,0,0,0,0|0,0,2]=4 13456 B14R0.393 CCCCCCCCCCN(C)COC 2230a_100000207566_100000766300 [0,2,0,0,0,0|2,0,0]=4 13457 B14R0.393 CCCCCCCCCCN(C)COC 269982a_100000207566_100000766300 [0,2,0,0,0,0|2,0,0]=4 13458 B14R0.393 CCCCCCCCCCN(C)CSC 2230a_100000207566_100011218213 [0,2,0,0,0,0|2,0,0]=4 13459 B14R0.393 CCCCCCCCCCN(C)CSC 269982a_100000207566_100011218213 [0,2,0,0,0,0|2,0,0]=4 13460 B14R0.393 CCCCCCCCCNC(C)CC#N 2230a_100000212291_100009813641 [0,2,0,0,0,0|1,0,1]=4 13461 B14R0.393 CCCCCCCCCNC(C)CCC 2230a_100000212291_100000766640 [0,2,0,0,0,0|1,0,1]=4 13462 B14R0.393 CCCCCCCCCNC(C)CCC 2230a_100000741246_100011214924 [0,2,0,0,0,0|1,0,1]=4 13463 B14R0.393 CCCCCCCCCNC(C)CCC 270004a_100000212291_100000211909 [0,2,0,0,0,0|1,0,1]=4 13464 B14R0.393 CCCCCCCCCNC(C)CCC 34a_100000212291_100000766640 [0,2,0,0,0,0|1,0,1]=4 13465 B14R0.393 CCCCCCCCCNC(C)CCO 2230a_100000212291_100009893172 [0,2,0,0,0,0|0,0,2]=4 13466 B14R0.393 CCCCCCCCCNC(C)CCO 34a_100000212291_100009893172 [0,2,0,0,0,0|0,0,2]=4 13467 B14R0.393 CCCCCCCCCNC(C)COC 2230a_100000212291_100000765312 [0,2,0,0,0,0|2,0,0]=4 13468 B14R0.393 CCCCCCCCCNC(C)COC 270004a_100000212291_100000749346 [0,2,0,0,0,0|2,0,0]=4 13469 B14R0.393 CCCCCCCCCNC(C)COC 34a_100000212291_100000765312 [0,2,0,0,0,0|2,0,0]=4 13470 B14R0.393 CCCCCCCCCNC(C)CSC 270004a_100000212291_100011216314 [0,2,0,0,0,0|2,0,0]=4 13471 B14R0.393 CCCCCCCCCN[C@@H](C)CC#N 2230a_100016994482_100011214924 [0,2,0,0,0,0|1,0,1]=4 13472 B14R0.393 CCCCCCCCCN[C@H](C)CCO 2230a_100000706166_100011214924 [0,2,0,0,0,0|0,0,2]=4 13473 B14R0.393 CCCCCCCCCN[C@H](C)CCO 34a_100000706166_100011214924 [0,2,0,0,0,0|0,0,2]=4 13474 B14R0.393 CCCCCCCCCN[C@H](C)COC 2230a_100000764878_100011214924 [0,2,0,0,0,0|2,0,0]=4 13475 B14R0.393 CCCCCCCCCOC(C)CC#N 7a_100000210712_100009813641 [0,2,0,0,0,0|1,0,1]=4 13476 B14R0.393 CCCCCCCCCOC(C)CCBr 34a_100012276601_100011214924 [0,2,0,0,0,0|1,0,1]=4 13477 B14R0.393 CCCCCCCCCOC(C)CCC 34a_100000210712_100000766640 [0,2,0,0,0,0|1,0,1]=4 13478 B14R0.393 CCCCCCCCCOC(C)CCC 34a_100000764384_100011214924 [0,2,0,0,0,0|1,0,1]=4 13479 B14R0.393 CCCCCCCCCOC(C)CCC 7a_100000210712_100000766640 [0,2,0,0,0,0|1,0,1]=4 13480 B14R0.393 CCCCCCCCCOC(C)CCC 7a_100000764384_100000210328 [0,2,0,0,0,0|1,0,1]=4 13481 B14R0.393 CCCCCCCCCOC(C)CCO 34a_100000210712_100009893172 [0,2,0,0,0,0|0,0,2]=4 13482 B14R0.393 CCCCCCCCCOC(C)CCO 7a_100000210712_100009893172 [0,2,0,0,0,0|0,0,2]=4 13483 B14R0.393 CCCCCCCCCOC(C)COC 34a_100000210712_100000765312 [0,2,0,0,0,0|2,0,0]=4 13484 B14R0.393 CCCCCCCCCOC(C)COC 7a_100000210712_100000765312 [0,2,0,0,0,0|2,0,0]=4 13485 B14R0.393 CCCCCCCCCO[C@H](C)COC 34a_100011934205_100011214924 [0,2,0,0,0,0|2,0,0]=4 13486 B14R0.393 CCCCCCCCCSC(C)CC#N 62a_100009813641_100000210670 [0,2,0,0,0,0|1,0,1]=4 13487 B14R0.393 CCCCCCCCCSC(C)CCC 62a_100000766640_100000210670 [0,2,0,0,0,0|1,0,1]=4 13488 B14R0.393 CCCCCCCCCSC(C)CCO 62a_100009893172_100000210670 [0,2,0,0,0,0|0,0,2]=4 13489 B14R0.393 CCCCCCCCCSC(C)COC 62a_100000765312_100000210670 [0,2,0,0,0,0|2,0,0]=4 13490 B14R0.393 CCCCCCCCNCC(C)CCC 2230a_100000229939_100011216630 [0,2,0,0,0,0|1,0,1]=4 13491 B14R0.393 CCCCCCCCNCC(C)CCC 270004a_100000229939_100000243154 [0,2,0,0,0,0|1,0,1]=4 13492 B14R0.393 CCCCCCCCNCC(C)CCC 34a_100000229939_100011216630 [0,2,0,0,0,0|1,0,1]=4 13493 B14R0.393 CCCCCCCCNCC(O)COC 2230a_100000756049_100000210759 [0,2,0,0,0,0|2,0,0]=4 13494 B14R0.393 CCCCCCCCNCC(O)COC 34a_100000229939_100011215053 [0,2,0,0,0,0|2,0,0]=4 13495 B14R0.393 CCCCCCCCNCC(O)COC 34a_100000756049_100000210759 [0,2,0,0,0,0|2,0,0]=4 13496 B14R0.393 CCCCCCCCNC[C@@H](O)CC#N 2230a_100000229939_100000001066 [0,2,0,0,0,0|1,0,1]=4 13497 B14R0.393 CCCCCCCCOCC(C)CCC 34a_100000210232_100011216630 [0,2,0,0,0,0|1,0,1]=4 13498 B14R0.393 CCCCCCCCOCC(C)CCC 34a_100000688023_100000210759 [0,2,0,0,0,0|1,0,1]=4 13499 B14R0.393 CCCCCCCCOCC(C)CCC 7a_100000210232_100011216630 [0,2,0,0,0,0|1,0,1]=4 13500 B14R0.393 CCCCCCCCOCC(C)CCC 7a_100000688023_100000210759 [0,2,0,0,0,0|1,0,1]=4 13501 B14R0.393 CCCCCCCCOCC(C)CCN 34a_106354213184_100000210759 [0,2,0,0,0,0|1,0,1]=4 13502 B14R0.393 CCCCCCCCOCC(N)COC 34a_100000724102_100000210759 [0,2,0,0,0,0|2,0,0]=4 13503 B14R0.393 CCCCCCCCOCC(O)COC 34a_100000210232_100011215053 [0,2,0,0,0,0|2,0,0]=4 13504 B14R0.393 CCCCCCCCOCC(O)COC 7a_100000210232_100011215053 [0,2,0,0,0,0|2,0,0]=4 13505 B14R0.393 CCCCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210759 [0,2,0,0,0,0|1,0,1]=4 13506 B14R0.393 CCCCCCCCOC[C@@H](O)CC#N 7a_100000210232_100000001066 [0,2,0,0,0,0|1,0,1]=4 13507 B14R0.393 CCCCCCCCSCC(C)CCC 62a_100000210759_100011216630 [0,2,0,0,0,0|1,0,1]=4 13508 B14R0.393 CCCCCCCCSCC(C)CCC 62a_100011216630_100000210317 [0,2,0,0,0,0|1,0,1]=4 13509 B14R0.393 CCCCCCCCSCC(O)COC 62a_100000210759_100011215053 [0,2,0,0,0,0|2,0,0]=4 13510 B14R0.393 CCCCCCCCSCC(O)COC 62a_100011215053_100000210317 [0,2,0,0,0,0|2,0,0]=4 13511 B14R0.393 CCCCCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210317 [0,2,0,0,0,0|1,0,1]=4 13512 B14R0.393 CCCCCCCCSC[C@@H](O)CC#N 62a_100000210759_100000001066 [0,2,0,0,0,0|1,0,1]=4 13513 B14R0.393 CCCCCCCOCCC(C)CCC 34a_100011217855_100000210614 [0,2,0,0,0,0|1,0,1]=4 13514 B14R0.393 CCCCCCCOCCC(C)CCC 7a_100011217855_100000210614 [0,2,0,0,0,0|1,0,1]=4 13515 B14R0.393 CCCCCCCOCC[C@@H](N)CCC 34a_100015193777_100000210614 [0,2,0,0,0,0|1,0,1]=4 13516 B14R0.393 CCCCCCOCCCC(C)CCC 34a_100011713154_100000210314 [0,2,0,0,0,0|1,0,1]=4 13517 B14R0.393 CCCCCCOCCCC(C)CCC 7a_100011713154_100000210314 [0,2,0,0,0,0|1,0,1]=4 13518 B14R0.393 CCCN(C)CCCCCCCCCO 2230a_100000747261_100009813782 [0,2,0,0,0,0|0,0,2]=4 13519 B14R0.393 CCCN(C)CCCCCCCCCO 269982a_100000747261_100009813782 [0,2,0,0,0,0|0,0,2]=4 13520 B14R0.393 CCC[C@H](N)CCOCCCCCCF 34a_100015193777_100015922095 [0,2,0,0,0,0|1,0,1]=4 13521 B14R0.393 CCC[C@H](N)CCOCCCCCCO 34a_100015193777_100000766143 [0,2,0,0,0,0|0,0,2]=4 13522 B14R0.393 CCC[C@H](N)COCCCCCCCO 34a_100000732646_100000760002 [0,2,0,0,0,0|0,0,2]=4 13523 B14R0.393 CCC[C@H](N)COCCCCCCOC 34a_100000732646_100011998445 [0,2,0,0,0,0|2,0,0]=4 13524 B14R0.393 CCNC(=O)CCSCCCCCC=O 62a_100000139337_100000737597 [0,2,0,0,0,0|1,0,1]=4 13525 B14R0.393 CCNC(=O)CCSCCCCCC=O 62a_100000737597_100000139337 [0,2,0,0,0,0|1,0,1]=4 13526 B14R0.393 CCOC(=O)CCCCCCSCC=O 62a_200015260668_100009814379 [0,2,0,0,0,0|1,0,1]=4 13527 B14R0.393 CCOC(=O)CCCCSCCCC=O 62a_100000750268_200011292268 [0,2,0,0,0,0|1,0,1]=4 13528 B14R0.393 CCOC(=O)CCCCSCCCC=O 62a_200011292268_100000750268 [0,2,0,0,0,0|1,0,1]=4 13529 B14R0.393 CCOC(=O)CCCOCCCCC=O 7a_100012001163_100000139335 [0,2,0,0,0,0|1,0,1]=4 13530 B14R0.393 CCOC(=O)CCCSCCCCC=O 62a_100000139335_100009991533 [0,2,0,0,0,0|1,0,1]=4 13531 B14R0.393 CCOC(=O)CCCSCCCCC=O 62a_100009991533_100000139335 [0,2,0,0,0,0|1,0,1]=4 13532 B14R0.393 CCOC(=O)CCSCCCCCC=O 62a_100000139337_100000765890 [0,2,0,0,0,0|1,0,1]=4 13533 B14R0.393 CCOC(=O)CCSCCCCCC=O 62a_100000765890_100000139337 [0,2,0,0,0,0|1,0,1]=4 13534 B14R0.432 C=CCC(C)COCCCCCC(C)C 34a_100009832082_100000210682 [0,2,0,0,0,0|2,0,0]=4 13535 B14R0.432 C=CCC(C)COCCCCCC(C)C 7a_100009832082_100000210682 [0,2,0,0,0,0|2,0,0]=4 13536 B14R0.432 C=CC[C@@H](N)COCCCCCC(C)C 34a_100020615467_100000210682 [0,2,0,0,0,0|2,0,0]=4 13537 B14R0.432 CC(CCN)COCCCCCC(=O)N 34a_106354213184_100009817443 [0,2,0,0,0,0|2,0,0]=4 13538 B14R0.432 CCCC(=O)COCCCCCC(=O)N 7a_100000123541_100000747444 [0,2,0,0,0,0|1,0,1]=4 13539 B14R0.432 CCCC(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000747444 [0,2,0,0,0,0|1,0,1]=4 13540 B14R0.432 CCCC(=O)CSCCCCCC(=O)N 62a_100000747444_100009817443 [0,2,0,0,0,0|1,0,1]=4 13541 B14R0.432 CCCC(=O)CSCCCCCC(=O)N 62a_100009817443_100000747444 [0,2,0,0,0,0|1,0,1]=4 13542 B14R0.432 CCCC(C)CCCOCCCC(=O)C 34a_100011713154_100000685027 [0,2,0,0,0,0|1,0,0]=3 13543 B14R0.432 CCCC(C)CCCOCCCC(=O)C 7a_100011713154_100011215641 [0,2,0,0,0,0|1,0,0]=3 13544 B14R0.432 CCCC(C)CCCOCCCC(=O)N 34a_100011713154_100102525003 [0,2,0,0,0,0|1,0,0]=3 13545 B14R0.432 CCCC(C)CCCOCCCC(=O)N 7a_100011713154_100102525003 [0,2,0,0,0,0|1,0,0]=3 13546 B14R0.432 CCCC(C)CCCOCCNC(=O)C 7a_100011713154_100000189650 [0,2,0,0,0,0|2,0,0]=4 13547 B14R0.432 CCCC(C)CCCOCCNC(=O)N 7a_100011713154_200000034859 [0,2,0,0,0,0|2,0,0]=4 13548 B14R0.432 CCCC(C)CCCOCCOC(=O)C 34a_100011713154_100009814007 [0,2,0,0,0,0|2,0,0]=4 13549 B14R0.432 CCCC(C)CCCOCCOC(=O)C 7a_100011713154_100009814007 [0,2,0,0,0,0|2,0,0]=4 13550 B14R0.432 CCCC(C)CCCOCCOC(=O)N 34a_100011713154_200011214921 [0,2,0,0,0,0|2,0,0]=4 13551 B14R0.432 CCCC(C)CCCOCCOC(=O)N 7a_100011713154_200011214921 [0,2,0,0,0,0|2,0,0]=4 13552 B14R0.432 CCCC(C)CCOCCCCC(=O)C 34a_100011217855_100009817362 [0,2,0,0,0,0|1,0,0]=3 13553 B14R0.432 CCCC(C)CCOCCCCC(=O)C 7a_100011217855_100000735457 [0,2,0,0,0,0|1,0,0]=3 13554 B14R0.432 CCCC(C)CCOCCCOC(=O)C 34a_100011217855_100000042594 [0,2,0,0,0,0|2,0,0]=4 13555 B14R0.432 CCCC(C)CCOCCCOC(=O)C 7a_100011217855_100000042594 [0,2,0,0,0,0|2,0,0]=4 13556 B14R0.432 CCCC(C)CCOCCCSC(=O)C 34a_100011217855_100000038929 [0,2,0,0,0,0|2,0,0]=4 13557 B14R0.432 CCCC(C)CCOCCCSC(=O)C 7a_100011217855_100000038929 [0,2,0,0,0,0|2,0,0]=4 13558 B14R0.432 CCCC(C)CCOCCOCC(=O)N 34a_100011217855_100000076697 [0,2,0,0,0,0|2,0,0]=4 13559 B14R0.432 CCCC(C)CCOCCOCC(=O)N 7a_100011217855_100000076697 [0,2,0,0,0,0|2,0,0]=4 13560 B14R0.432 CCCC(C)CNCCCCNC(=O)C 2230a_200011368371_100011216630 [0,2,0,0,0,0|2,0,0]=4 13561 B14R0.432 CCCC(C)CNCCCCNC(=O)C 270004a_200011368371_100000243154 [0,2,0,0,0,0|2,0,0]=4 13562 B14R0.432 CCCC(C)CNCCCCNC(=O)C 34a_200011368371_100011216630 [0,2,0,0,0,0|2,0,0]=4 13563 B14R0.432 CCCC(C)COCCCCCC(=O)N 34a_100000123541_100011216630 [0,2,0,0,0,0|1,0,0]=3 13564 B14R0.432 CCCC(C)COCCCCCC(=O)N 34a_100000688023_100009817443 [0,2,0,0,0,0|1,0,0]=3 13565 B14R0.432 CCCC(C)COCCCCCC(=O)N 7a_100000123541_100011216630 [0,2,0,0,0,0|1,0,0]=3 13566 B14R0.432 CCCC(C)COCCCCCC(=O)N 7a_100000688023_100009817443 [0,2,0,0,0,0|1,0,0]=3 13567 B14R0.432 CCCC(C)COCCCCCC(=O)[O-] 7a_100102619762_100011216630 [0,2,0,0,0,0|1,0,0]=3 13568 B14R0.432 CCCC(C)COCCCCOC(=O)C 34a_100000073216_100011216630 [0,2,0,0,0,0|2,0,0]=4 13569 B14R0.432 CCCC(C)COCCCCOC(=O)C 34a_100000688023_100000033659 [0,2,0,0,0,0|2,0,0]=4 13570 B14R0.432 CCCC(C)COCCCCOC(=O)C 7a_100000073216_100011216630 [0,2,0,0,0,0|2,0,0]=4 13571 B14R0.432 CCCC(C)COCCCCOC(=O)C 7a_100000688023_100000033659 [0,2,0,0,0,0|2,0,0]=4 13572 B14R0.432 CCCC(C)COCCCCSC(=O)C 34a_100000688023_200010402107 [0,2,0,0,0,0|2,0,0]=4 13573 B14R0.432 CCCC(C)COCCCCSC(=O)C 7a_100000688023_200010402107 [0,2,0,0,0,0|2,0,0]=4 13574 B14R0.432 CCCC(C)CSCCCCCC(=O)N 62a_100009817443_100011216630 [0,2,0,0,0,0|1,0,0]=3 13575 B14R0.432 CCCC(C)CSCCCCCC(=O)N 62a_100011216630_100009817443 [0,2,0,0,0,0|1,0,0]=3 13576 B14R0.432 CCCC(C)CSCCCCOC(=O)C 62a_100000033659_100011216630 [0,2,0,0,0,0|2,0,0]=4 13577 B14R0.432 CCCC(C)CSCCCCOC(=O)C 62a_100011216630_100000033659 [0,2,0,0,0,0|2,0,0]=4 13578 B14R0.432 CCCC(C)CSCCCCSC(=O)C 62a_100011216630_200010402107 [0,2,0,0,0,0|2,0,0]=4 13579 B14R0.432 CCCC(C)CSCCCCSC(=O)C 62a_200010402107_100011216630 [0,2,0,0,0,0|2,0,0]=4 13580 B14R0.432 CCCC(C)NCCCCCNC(=O)C 2230a_200012022750_100000766640 [0,2,0,0,0,0|2,0,0]=4 13581 B14R0.432 CCCC(C)NCCCCCNC(=O)C 270004a_200012022750_100000211909 [0,2,0,0,0,0|2,0,0]=4 13582 B14R0.432 CCCC(C)NCCCCCNC(=O)C 34a_200012022750_100000766640 [0,2,0,0,0,0|2,0,0]=4 13583 B14R0.432 CCCC(C)NCCCCCOC(=O)C 2230a_100000741246_100009813381 [0,2,0,0,0,0|2,0,0]=4 13584 B14R0.432 CCCC(C)OCCCCCOC(=O)C 34a_100000764384_100000033007 [0,2,0,0,0,0|2,0,0]=4 13585 B14R0.432 CCCC(C)OCCCCCOC(=O)C 7a_100000764384_100000033007 [0,2,0,0,0,0|2,0,0]=4 13586 B14R0.432 CCCC(C)SCCCCCOC(=O)C 62a_100000033007_100000766640 [0,2,0,0,0,0|2,0,0]=4 13587 B14R0.432 CCCC(C)SCCCCCOC(=O)C 62a_100000766640_100000033007 [0,2,0,0,0,0|2,0,0]=4 13588 B14R0.432 CCC[C@H](N)CCOCCCCC(=O)C 34a_100015193777_100009817362 [0,2,0,0,0,0|1,0,0]=3 13589 B14R0.432 CCC[C@H](N)CCOCCCOC(=O)C 34a_100015193777_100000042594 [0,2,0,0,0,0|2,0,0]=4 13590 B14R0.432 CCC[C@H](N)CCOCCCSC(=O)C 34a_100015193777_100000038929 [0,2,0,0,0,0|2,0,0]=4 13591 B14R0.432 CCC[C@H](N)CCOCCOCC(=O)N 34a_100015193777_100000076697 [0,2,0,0,0,0|2,0,0]=4 13592 B14R0.432 CCC[C@H](N)COCCCCCC(=O)N 34a_100000732646_100009817443 [0,2,0,0,0,0|1,0,0]=3 13593 B14R0.432 CCC[C@H](N)COCCCCOC(=O)C 34a_100000732646_100000033659 [0,2,0,0,0,0|2,0,0]=4 13594 B14R0.432 CCC[C@H](N)COCCCCSC(=O)C 34a_100000732646_200010402107 [0,2,0,0,0,0|2,0,0]=4 13595 B14R0.432 CCOC(=O)CCCCCCCC(=O)C 1458a_100000070787_100009991516 [0,2,0,0,0,0|1,0,1]=4 13596 B14R0.432 COCC(N)COCCCCCC(=O)N 34a_100000724102_100009817443 [0,2,0,0,0,0|2,0,0]=4 13597 B14R0.432 COCC(O)CNCCCCCC(=O)N 2230a_100000756049_100009817443 [0,2,0,0,0,0|2,0,0]=4 13598 B14R0.432 COCC(O)CNCCCCCC(=O)N 34a_100000756049_100009817443 [0,2,0,0,0,0|2,0,0]=4 13599 B14R0.432 COCC(O)COCCCCCC(=O)N 34a_100000123541_100011215053 [0,2,0,0,0,0|2,0,0]=4 13600 B14R0.432 COCC(O)COCCCCCC(=O)N 7a_100000123541_100011215053 [0,2,0,0,0,0|2,0,0]=4 13601 B14R0.432 COCC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011215053 [0,2,0,0,0,0|2,0,0]=4 13602 B14R0.432 COCC(O)CSCCCCCC(=O)N 62a_100009817443_100011215053 [0,2,0,0,0,0|2,0,0]=4 13603 B14R0.432 COCC(O)CSCCCCCC(=O)N 62a_100011215053_100009817443 [0,2,0,0,0,0|2,0,0]=4 13604 B14R0.493 C#CCCC(=O)CCCCCCCCC 1458a_100000210558_100000753159 [0,2,0,0,0,0|1,0,1]=4 13605 B14R0.493 C#CCCC(=O)CCCCCCCCC 1458a_100000692101_100000210670 [0,2,0,0,0,0|1,0,1]=4 13606 B14R0.493 C#CCCCCCCCC(=O)CCCC 1458a_100000087357_100000210211 [0,2,0,0,0,0|1,0,1]=4 13607 B14R0.493 C#CCCCCCCCC(=O)CCCC 1458a_100000210183_100153394163 [0,2,0,0,0,0|1,0,1]=4 13608 B14R0.493 C#CCCCCCCCN(C)CCCC 2230a_100000207549_100153394163 [0,2,0,0,0,0|1,0,1]=4 13609 B14R0.493 C#CCCCCCCCN(C)CCCC 269982a_100000207549_100153394163 [0,2,0,0,0,0|1,0,1]=4 13610 B14R0.493 C#CCCCCCCNC(C)CCCC 2230a_100000126638_100012276617 [0,2,0,0,0,0|1,0,1]=4 13611 B14R0.493 C#CCCCCCCOC(C)CCCC 34a_100000687866_100012276617 [0,2,0,0,0,0|1,0,1]=4 13612 B14R0.493 C#CCCCCCCOC(C)CCCC 34a_100011217361_200011215066 [0,2,0,0,0,0|1,0,1]=4 13613 B14R0.493 C#CCCCCCCOC(C)CCCC 7a_100000687866_100012276617 [0,2,0,0,0,0|1,0,1]=4 13614 B14R0.493 C#CCCCCCCOC(C)CCCC 7a_100011217361_200011215066 [0,2,0,0,0,0|1,0,1]=4 13615 B14R0.493 C#CCCCCCCSC(C)CCCC 62a_100012276617_200011215066 [0,2,0,0,0,0|1,0,1]=4 13616 B14R0.493 C#CCCCCCCSC(C)CCCC 62a_200011215066_100012276617 [0,2,0,0,0,0|1,0,1]=4 13617 B14R0.493 C#CCCCCCOCC(C)CCCC 34a_100011995851_100012094781 [0,2,0,0,0,0|1,0,1]=4 13618 B14R0.493 C#CCCCCCOCC(C)CCCC 7a_100011995851_100012094781 [0,2,0,0,0,0|1,0,1]=4 13619 B14R0.493 C#CCCCCCOC[C@@H](N)CCCC 34a_100011934283_100012094781 [0,2,0,0,0,0|1,0,1]=4 13620 B14R0.493 C#CCCN(C)CCCCCCCCC 2230a_100000232482_100000688953 [0,2,0,0,0,0|1,0,1]=4 13621 B14R0.493 C#CCCN(C)CCCCCCCCC 269982a_100000232482_100000730999 [0,2,0,0,0,0|1,0,1]=4 13622 B14R0.493 C#CCCOCCCCC(C)CCCC 34a_200011021034_100000688953 [0,2,0,0,0,0|1,0,1]=4 13623 B14R0.493 C#CCCOCCCCC(C)CCCC 7a_200011021034_100000688953 [0,2,0,0,0,0|1,0,1]=4 13624 B14R0.493 C#CCOC(C)CCCCCCCCC 34a_100011218016_100000184674 [0,2,0,0,0,0|1,0,1]=4 13625 B14R0.493 C#CCOC(C)CCCCCCCCC 7a_100011218016_100000038162 [0,2,0,0,0,0|1,0,1]=4 13626 B14R0.493 C/C=C/CC(=O)CCCCCCCCC 1458a_100000210558_100102629194 [0,2,0,0,0,0|1,0,1]=4 13627 B14R0.493 C/C=C/CN(C)CCCCCCCCC 269982a_100000232482_100102629194 [0,2,0,0,0,0|1,0,1]=4 13628 B14R0.493 C/C=C/COCCCCC(C)CCCC 34a_200011021034_100102629194 [0,2,0,0,0,0|1,0,1]=4 13629 B14R0.493 C/C=C/COCCCCC(C)CCCC 7a_200011021034_100102629194 [0,2,0,0,0,0|1,0,1]=4 13630 B14R0.493 C=CCCC(=O)CCCCCCCCC 1458a_100000210558_100000754431 [0,2,0,0,0,0|1,0,0]=3 13631 B14R0.493 C=CCCC(=O)CCCCCCCCC 1458a_100000749702_100000210670 [0,2,0,0,0,0|1,0,0]=3 13632 B14R0.493 C=CCCC(=O)CCCCCCCCO 1458a_100000749702_100000033203 [0,2,0,0,0,0|1,0,1]=4 13633 B14R0.493 C=CCCC(=O)NCCCCCCCC 11a_100000229939_100000749702 [0,2,0,0,0,0|1,0,1]=4 13634 B14R0.493 C=CCCC(=O)NCCCCCCCC 1626a_100000229939_100000749702 [0,2,0,0,0,0|1,0,1]=4 13635 B14R0.493 C=CCCC(=O)NCCCCCCCC 240690a_100000229939_100000749702 [0,2,0,0,0,0|1,0,1]=4 13636 B14R0.493 C=CCCC(=O)NCCCCCCCC 527a_100000229939_100000749702 [0,2,0,0,0,0|1,0,1]=4 13637 B14R0.493 C=CCCC(C)NCCCCCCCC 270004a_100000229939_100000762624 [0,2,0,0,0,0|1,0,0]=3 13638 B14R0.493 C=CCCC(C)NCCCCCCCO 270004a_100011996573_100000762624 [0,2,0,0,0,0|2,0,0]=4 13639 B14R0.493 C=CCCC(C)NCCCOCCCC 270004a_200000211371_100000762624 [0,2,0,0,0,0|2,0,0]=4 13640 B14R0.493 C=CCCC(C)OCCCCCCCC 34a_100000765329_100000210759 [0,2,0,0,0,0|1,0,0]=3 13641 B14R0.493 C=CCCC(C)OCCCCCCCC 7a_100000765329_100000210759 [0,2,0,0,0,0|1,0,0]=3 13642 B14R0.493 C=CCCC(C)OCCCCCCCO 34a_100000765329_100000760002 [0,2,0,0,0,0|2,0,0]=4 13643 B14R0.493 C=CCCC(C)OCCCCCCCO 7a_100000765329_100000760002 [0,2,0,0,0,0|2,0,0]=4 13644 B14R0.493 C=CCCC(C)OCCCCCCOC 34a_100000765329_100011998445 [0,2,0,0,0,0|2,0,0]=4 13645 B14R0.493 C=CCCC(C)OCCCCCCOC 7a_100000765329_100011998445 [0,2,0,0,0,0|2,0,0]=4 13646 B14R0.493 C=CCCCCCCCC(=O)CCCC 1458a_100000210183_100012355270 [0,2,0,0,0,0|1,0,0]=3 13647 B14R0.493 C=CCCCCCCCC(=O)CCCC 1458a_100011216160_100000210211 [0,2,0,0,0,0|1,0,0]=3 13648 B14R0.493 C=CCCCCCCCC(=O)CCCF 1458a_100011216160_100011934791 [0,2,0,0,0,0|1,0,1]=4 13649 B14R0.493 C=CCCCCCCCC(=O)CCCO 1458a_100011216160_100011215043 [0,2,0,0,0,0|1,0,1]=4 13650 B14R0.493 C=CCCCCCCCC(=O)CCOC 1458a_100000749529_100012355270 [0,2,0,0,0,0|1,0,1]=4 13651 B14R0.493 C=CCCCCCCCC(=O)CCOC 1458a_100011216160_100000233755 [0,2,0,0,0,0|1,0,1]=4 13652 B14R0.493 C=CCCCCCCCC(=O)CCSC 1458a_100000174002_100012355270 [0,2,0,0,0,0|1,0,1]=4 13653 B14R0.493 C=CCCCCCCCC(=O)CCSC 1458a_100011216160_100000751147 [0,2,0,0,0,0|1,0,1]=4 13654 B14R0.493 C=CCCCCCCCC(=O)COCC 1458a_100000211967_100012355270 [0,2,0,0,0,0|1,0,1]=4 13655 B14R0.493 C=CCCCCCCCC(=O)CSCC 1458a_100000230394_100012355270 [0,2,0,0,0,0|1,0,1]=4 13656 B14R0.493 C=CCCCCCCCC(=O)NCCC 11a_100020643023_100011216160 [0,2,0,0,0,0|1,0,1]=4 13657 B14R0.493 C=CCCCCCCCC(=O)NCCC 1626a_100020643023_100011216160 [0,2,0,0,0,0|1,0,1]=4 13658 B14R0.493 C=CCCCCCCCC(=O)NCCC 240690a_100020643023_100011216160 [0,2,0,0,0,0|1,0,1]=4 13659 B14R0.493 C=CCCCCCCCC(=O)NCCC 527a_100020643023_100011216160 [0,2,0,0,0,0|1,0,1]=4 13660 B14R0.493 C=CCCCCCCCN(C)CCCC 2230a_100000207549_100012355270 [0,2,0,0,0,0|1,0,0]=3 13661 B14R0.493 C=CCCCCCCCN(C)CCCC 269982a_100000207549_100012355270 [0,2,0,0,0,0|1,0,0]=3 13662 B14R0.493 C=CCCCCCCCN(C)CCCO 2230a_100000213112_100012355270 [0,2,0,0,0,0|2,0,0]=4 13663 B14R0.493 C=CCCCCCCCN(C)CCCO 269982a_100000213112_100012355270 [0,2,0,0,0,0|2,0,0]=4 13664 B14R0.493 C=CCCCCCCCN(C)CCOC 2230a_100000743101_100012355270 [0,2,0,0,0,0|2,0,0]=4 13665 B14R0.493 C=CCCCCCCCN(C)CCOC 269982a_100000743101_100012355270 [0,2,0,0,0,0|2,0,0]=4 13666 B14R0.493 C=CCCCCCCCN(C)CCSC 2230a_100000686725_100012355270 [0,2,0,0,0,0|2,0,0]=4 13667 B14R0.493 C=CCCCCCCCN(C)CCSC 269982a_100000686725_100012355270 [0,2,0,0,0,0|2,0,0]=4 13668 B14R0.493 C=CCCCCCCNC(C)CCCC 2230a_100000126638_100011215473 [0,2,0,0,0,0|1,0,0]=3 13669 B14R0.493 C=CCCCCCCOC(C)CCCC 34a_100000687866_100011215473 [0,2,0,0,0,0|1,0,0]=3 13670 B14R0.493 C=CCCCCCCOC(C)CCCC 34a_200011216477_200011215066 [0,2,0,0,0,0|1,0,0]=3 13671 B14R0.493 C=CCCCCCCOC(C)CCCC 7a_100000687866_100011215473 [0,2,0,0,0,0|1,0,0]=3 13672 B14R0.493 C=CCCCCCCOC(C)CCCC 7a_200011216477_200011215066 [0,2,0,0,0,0|1,0,0]=3 13673 B14R0.493 C=CCCCCCCOC(C)CCCCl 34a_200000718107_100011215473 [0,2,0,0,0,0|2,0,0]=4 13674 B14R0.493 C=CCCCCCCOC(C)CCCCl 7a_200000718107_100011215473 [0,2,0,0,0,0|2,0,0]=4 13675 B14R0.493 C=CCCCCCCOC(C)COCC 34a_100000718985_100011215473 [0,2,0,0,0,0|2,0,0]=4 13676 B14R0.493 C=CCCCCCCOC(C)COCC 7a_100000718985_100011215473 [0,2,0,0,0,0|2,0,0]=4 13677 B14R0.493 C=CCCCCCCSC(C)CCCC 62a_100011215473_200011215066 [0,2,0,0,0,0|1,0,0]=3 13678 B14R0.493 C=CCCCCCCSC(C)CCCC 62a_200011215066_100011215473 [0,2,0,0,0,0|1,0,0]=3 13679 B14R0.493 C=CCCCCCNCC(C)OCCC 2230a_100015185124_100000700193 [0,2,0,0,0,0|2,0,0]=4 13680 B14R0.493 C=CCCCCCNCC(C)OCCC 34a_100015185124_100000700193 [0,2,0,0,0,0|2,0,0]=4 13681 B14R0.493 C=CCCCCCNCC(O)COCC 2230a_102515437182_100000700193 [0,2,0,0,0,0|2,0,0]=4 13682 B14R0.493 C=CCCCCCNCC(O)COCC 34a_102515437182_100000700193 [0,2,0,0,0,0|2,0,0]=4 13683 B14R0.493 C=CCCCCCNC[C@H](C)CCCO 2230a_100160569302_100000700193 [0,2,0,0,0,0|2,0,0]=4 13684 B14R0.493 C=CCCCCCNC[C@H](C)CCCO 34a_100160569302_100000700193 [0,2,0,0,0,0|2,0,0]=4 13685 B14R0.493 C=CCCCCCOCC(C)CCCC 34a_100011995851_100000700193 [0,2,0,0,0,0|1,0,0]=3 13686 B14R0.493 C=CCCCCCOCC(C)CCCC 7a_100011995851_100000700193 [0,2,0,0,0,0|1,0,0]=3 13687 B14R0.493 C=CCCCCCOC[C@@H](N)CCCC 34a_100011934283_100000700193 [0,2,0,0,0,0|1,0,0]=3 13688 B14R0.493 C=CCCCCCOC[C@@H](N)CCSC 34a_100011827619_100000700193 [0,2,0,0,0,0|2,0,0]=4 13689 B14R0.493 C=CCCN(C)CCCCCCCCC 2230a_100000232482_100000754431 [0,2,0,0,0,0|1,0,0]=3 13690 B14R0.493 C=CCCN(C)CCCCCCCCC 2230a_100020639649_100011214924 [0,2,0,0,0,0|1,0,0]=3 13691 B14R0.493 C=CCCN(C)CCCCCCCCC 269982a_100000232482_100000754431 [0,2,0,0,0,0|1,0,0]=3 13692 B14R0.493 C=CCCN(C)CCCCCCCCC 269982a_100020639649_100000210670 [0,2,0,0,0,0|1,0,0]=3 13693 B14R0.493 C=CCCN(C)CCCCCCCCO 2230a_100020639649_100000033203 [0,2,0,0,0,0|2,0,0]=4 13694 B14R0.493 C=CCCN(C)CCCCCCCCO 269982a_100020639649_100000033203 [0,2,0,0,0,0|2,0,0]=4 13695 B14R0.493 C=CCCOCCCCC(C)CCCC 34a_200011021034_100000754431 [0,2,0,0,0,0|1,0,0]=3 13696 B14R0.493 C=CCCOCCCCC(C)CCCC 7a_200011021034_100000754431 [0,2,0,0,0,0|1,0,0]=3 13697 B14R0.493 C=CCNC(=O)CCCCCCCCC 1626a_100020586998_100000210558 [0,2,0,0,0,0|1,0,1]=4 13698 B14R0.493 C=CCNC(=O)CCCCCCCCC 240690a_100020586998_100000210558 [0,2,0,0,0,0|1,0,1]=4 13699 B14R0.493 C=CCNC(=O)CCCCCCCCC 527a_100020586998_100000210558 [0,2,0,0,0,0|1,0,1]=4 13700 B14R0.493 C=CCNC(C)CCCCCCCCC 270004a_100020586998_100011215753 [0,2,0,0,0,0|1,0,0]=3 13701 B14R0.493 C=CCOC(C)CCCCCCCCC 34a_100011218016_100015514636 [0,2,0,0,0,0|1,0,0]=3 13702 B14R0.493 C=CCOC(C)CCCCCCCCC 7a_100011218016_100015514636 [0,2,0,0,0,0|1,0,0]=3 13703 B14R0.493 CC=CCC(=O)CCCCCCCCC 1458a_100000210558_100000070051 [0,2,0,0,0,0|1,0,1]=4 13704 B14R0.493 CC=CCC(=O)CCCCCCCCC 1458a_100121576822_100000210670 [0,2,0,0,0,0|1,0,1]=4 13705 B14R0.493 CC=CCN(C)CCCCCCCCC 2230a_100000232482_100000070051 [0,2,0,0,0,0|1,0,1]=4 13706 B14R0.493 CC=CCOCCCCC(C)CCCC 34a_200011021034_100000070051 [0,2,0,0,0,0|1,0,1]=4 13707 B14R0.493 CC=CCOCCCCC(C)CCCC 7a_200011021034_100000070051 [0,2,0,0,0,0|1,0,1]=4 13708 B14R0.493 CCCCC(=O)CCCCCCCCO 1458a_100000210183_100000033203 [0,2,0,0,0,0|0,0,2]=4 13709 B14R0.493 CCCCC(C)CCCCOCCC#N 7a_200011021034_100000184422 [0,2,0,0,0,0|1,0,1]=4 13710 B14R0.493 CCCCC(C)CCCCOCCCF 34a_200011021034_100011934791 [0,2,0,0,0,0|1,0,1]=4 13711 B14R0.493 CCCCC(C)CCCCOCCCF 7a_200011021034_100011934791 [0,2,0,0,0,0|1,0,1]=4 13712 B14R0.493 CCCCC(C)CCCCOCCCO 34a_200011021034_100000230001 [0,2,0,0,0,0|0,0,2]=4 13713 B14R0.493 CCCCC(C)CCCCOCCCO 7a_200011021034_100011215043 [0,2,0,0,0,0|0,0,2]=4 13714 B14R0.493 CCCCC(C)CCCCOCCOC 34a_200011021034_100011201679 [0,2,0,0,0,0|2,0,0]=4 13715 B14R0.493 CCCCC(C)CCCCOCCOC 7a_200011021034_100000233755 [0,2,0,0,0,0|2,0,0]=4 13716 B14R0.493 CCCCC(C)CCCCOCCSC 34a_200011021034_100000212216 [0,2,0,0,0,0|2,0,0]=4 13717 B14R0.493 CCCCC(C)CCCCOCCSC 7a_200011021034_100000212216 [0,2,0,0,0,0|2,0,0]=4 13718 B14R0.493 CCCCC(C)COCCCCCC#N 7a_100011995851_100009813376 [0,2,0,0,0,0|1,0,1]=4 13719 B14R0.493 CCCCC(C)COCCCCCC=O 7a_100011995851_100000139337 [0,2,0,0,0,0|0,0,0]=2 13720 B14R0.493 CCCCC(C)COCCCCCCF 34a_100011995851_100015922095 [0,2,0,0,0,0|1,0,1]=4 13721 B14R0.493 CCCCC(C)COCCCCCCF 7a_100011995851_100015922095 [0,2,0,0,0,0|1,0,1]=4 13722 B14R0.493 CCCCC(C)COCCCCCCO 34a_100011995851_100000766143 [0,2,0,0,0,0|0,0,2]=4 13723 B14R0.493 CCCCC(C)COCCCCCCO 7a_100011995851_100000766143 [0,2,0,0,0,0|0,0,2]=4 13724 B14R0.493 CCCCC(C)NCCCCCCC#N 2230a_100000126638_100009813337 [0,2,0,0,0,0|1,0,1]=4 13725 B14R0.493 CCCCC(C)NCCCCCCCO 2230a_100000126638_100000760002 [0,2,0,0,0,0|0,0,2]=4 13726 B14R0.493 CCCCC(C)NCCCCCCCO 2230a_100011996573_200011215066 [0,2,0,0,0,0|0,0,2]=4 13727 B14R0.493 CCCCC(C)NCCCCCCCO 270004a_100011996573_100000210087 [0,2,0,0,0,0|0,0,2]=4 13728 B14R0.493 CCCCC(C)NCCCCCCCO 34a_100011996573_200011215066 [0,2,0,0,0,0|0,0,2]=4 13729 B14R0.493 CCCCC(C)NCCCCCCOC 2230a_100000126638_100011998445 [0,2,0,0,0,0|2,0,0]=4 13730 B14R0.493 CCCCC(C)OCCCCCCC#N 7a_100000687866_100009813337 [0,2,0,0,0,0|1,0,1]=4 13731 B14R0.493 CCCCC(C)OCCCCCCCBr 34a_100000760002_200011215066 [0,2,0,0,0,0|1,0,1]=4 13732 B14R0.493 CCCCC(C)OCCCCCCCBr 7a_100000760002_200011215066 [0,2,0,0,0,0|1,0,1]=4 13733 B14R0.493 CCCCC(C)OCCCCCCCN 34a_100011996573_200011215066 [0,2,0,0,0,0|1,0,1]=4 13734 B14R0.493 CCCCC(C)OCCCCCCCO 34a_100000687866_100000760002 [0,2,0,0,0,0|0,0,2]=4 13735 B14R0.493 CCCCC(C)OCCCCCCCO 7a_100000687866_100000760002 [0,2,0,0,0,0|0,0,2]=4 13736 B14R0.493 CCCCC(C)OCCCCCCOC 34a_100000687866_100011998445 [0,2,0,0,0,0|2,0,0]=4 13737 B14R0.493 CCCCC(C)OCCCCCCOC 34a_200012092642_200011215066 [0,2,0,0,0,0|2,0,0]=4 13738 B14R0.493 CCCCC(C)OCCCCCCOC 7a_100000687866_100011998445 [0,2,0,0,0,0|2,0,0]=4 13739 B14R0.493 CCCCC(C)OCCCCCCOC 7a_200012092642_200011215066 [0,2,0,0,0,0|2,0,0]=4 13740 B14R0.493 CCCCC(C)SCCCCCCC#N 62a_100009813337_200011215066 [0,2,0,0,0,0|1,0,1]=4 13741 B14R0.493 CCCCC(C)SCCCCCCC#N 62a_200011215066_100009813337 [0,2,0,0,0,0|1,0,1]=4 13742 B14R0.493 CCCCC(C)SCCCCCCCO 62a_100000760002_200011215066 [0,2,0,0,0,0|0,0,2]=4 13743 B14R0.493 CCCCC(C)SCCCCCCCO 62a_200011215066_100000760002 [0,2,0,0,0,0|0,0,2]=4 13744 B14R0.493 CCCCC(C)SCCCCCCOC 62a_100011998445_200011215066 [0,2,0,0,0,0|2,0,0]=4 13745 B14R0.493 CCCCC(C)SCCCCCCOC 62a_200011215066_100011998445 [0,2,0,0,0,0|2,0,0]=4 13746 B14R0.493 CCCCCCCCCC(=O)CCC#N 1458a_100000210558_100011215226 [0,2,0,0,0,0|1,0,1]=4 13747 B14R0.493 CCCCCCCCCC(=O)CCC#N 1458a_100011934036_100000210670 [0,2,0,0,0,0|1,0,1]=4 13748 B14R0.493 CCCCCCCCCC(=O)CCCC 1458a_100000210183_100000210670 [0,2,0,0,0,0|1,0,1]=4 13749 B14R0.493 CCCCCCCCCC(=O)CCCC 1458a_100000210558_100000210211 [0,2,0,0,0,0|1,0,1]=4 13750 B14R0.493 CCCCCCCCCC(=O)CCCF 1458a_100000210558_100011934791 [0,2,0,0,0,0|1,0,1]=4 13751 B14R0.493 CCCCCCCCCC(=O)CCCO 1458a_100000210558_100011215043 [0,2,0,0,0,0|0,0,2]=4 13752 B14R0.493 CCCCCCCCCC(=O)CCOC 1458a_100000210558_100000233755 [0,2,0,0,0,0|2,0,0]=4 13753 B14R0.493 CCCCCCCCCC(=O)CCOC 1458a_100000749529_100000210670 [0,2,0,0,0,0|2,0,0]=4 13754 B14R0.493 CCCCCCCCCC(=O)CCSC 1458a_100000174002_100000210670 [0,2,0,0,0,0|2,0,0]=4 13755 B14R0.493 CCCCCCCCCC(=O)CCSC 1458a_100000210558_100000751147 [0,2,0,0,0,0|2,0,0]=4 13756 B14R0.493 CCCCCCCCCC(C)CNCC 270004a_100015525214_200011218516 [0,2,0,0,0,0|1,0,1]=4 13757 B14R0.493 CCCCCCCCCC(C)NCCC 270004a_100020643023_100011215753 [0,2,0,0,0,0|1,0,1]=4 13758 B14R0.493 CCCCCCCCCC(C)NCCO 270004a_100000210304_100011215753 [0,2,0,0,0,0|0,0,2]=4 13759 B14R0.493 CCCCCCCCCC(C)OCC#N 7a_100011218016_100011215382 [0,2,0,0,0,0|1,0,1]=4 13760 B14R0.493 CCCCCCCCCC(C)OCC=O 34a_100011218016_200009817547 [0,2,0,0,0,0|0,0,0]=2 13761 B14R0.493 CCCCCCCCCC(C)OCC=O 7a_100011218016_200015260668 [0,2,0,0,0,0|0,0,0]=2 13762 B14R0.493 CCCCCCCCCC(C)OCCC 34a_100011218016_100000210303 [0,2,0,0,0,0|1,0,1]=4 13763 B14R0.493 CCCCCCCCCC(C)OCCC 7a_100011218016_100000210303 [0,2,0,0,0,0|1,0,1]=4 13764 B14R0.493 CCCCCCCCCC(C)OCCF 34a_100011218016_100011217306 [0,2,0,0,0,0|1,0,1]=4 13765 B14R0.493 CCCCCCCCCC(C)OCCF 7a_100011218016_100011217306 [0,2,0,0,0,0|1,0,1]=4 13766 B14R0.493 CCCCCCCCCC(C)OCCO 34a_100011218016_100000211926 [0,2,0,0,0,0|0,0,2]=4 13767 B14R0.493 CCCCCCCCCC(C)OCCO 7a_100011218016_100000211926 [0,2,0,0,0,0|0,0,2]=4 13768 B14R0.493 CCCCCCCCCC(C)OCSC 34a_100011218016_100011218213 [0,2,0,0,0,0|2,0,0]=4 13769 B14R0.493 CCCCCCCCCN(C)CCC#N 2230a_100000184479_100011214924 [0,2,0,0,0,0|1,0,1]=4 13770 B14R0.493 CCCCCCCCCN(C)CCC#N 2230a_100000232482_100011215226 [0,2,0,0,0,0|1,0,1]=4 13771 B14R0.493 CCCCCCCCCN(C)CCC#N 2230a_200000021605_200000210301 [0,2,0,0,0,0|1,0,1]=4 13772 B14R0.493 CCCCCCCCCN(C)CCC#N 269982a_100000232482_100011215226 [0,2,0,0,0,0|1,0,1]=4 13773 B14R0.493 CCCCCCCCCN(C)CCCC 2230a_100000207549_100011214924 [0,2,0,0,0,0|1,0,1]=4 13774 B14R0.493 CCCCCCCCCN(C)CCCC 2230a_100000232482_100000210211 [0,2,0,0,0,0|1,0,1]=4 13775 B14R0.493 CCCCCCCCCN(C)CCCC 269982a_100000207549_100000210670 [0,2,0,0,0,0|1,0,1]=4 13776 B14R0.493 CCCCCCCCCN(C)CCCC 269982a_100000232482_100000210211 [0,2,0,0,0,0|1,0,1]=4 13777 B14R0.493 CCCCCCCCCN(C)CCCF 2230a_100000232482_100011934791 [0,2,0,0,0,0|1,0,1]=4 13778 B14R0.493 CCCCCCCCCN(C)CCCF 269982a_100000232482_100011934791 [0,2,0,0,0,0|1,0,1]=4 13779 B14R0.493 CCCCCCCCCN(C)CCCO 2230a_100000213112_100011214924 [0,2,0,0,0,0|0,0,2]=4 13780 B14R0.493 CCCCCCCCCN(C)CCCO 2230a_100000232482_100000230001 [0,2,0,0,0,0|0,0,2]=4 13781 B14R0.493 CCCCCCCCCN(C)CCCO 269982a_100000213112_100000210670 [0,2,0,0,0,0|0,0,2]=4 13782 B14R0.493 CCCCCCCCCN(C)CCCO 269982a_100000232482_100011215043 [0,2,0,0,0,0|0,0,2]=4 13783 B14R0.493 CCCCCCCCCN(C)CCOC 2230a_100000232482_100011201679 [0,2,0,0,0,0|2,0,0]=4 13784 B14R0.493 CCCCCCCCCN(C)CCOC 2230a_100000743101_100011214924 [0,2,0,0,0,0|2,0,0]=4 13785 B14R0.493 CCCCCCCCCN(C)CCOC 269982a_100000232482_100000233755 [0,2,0,0,0,0|2,0,0]=4 13786 B14R0.493 CCCCCCCCCN(C)CCOC 269982a_100000743101_100000210670 [0,2,0,0,0,0|2,0,0]=4 13787 B14R0.493 CCCCCCCCCN(C)CCSC 2230a_100000232482_100000751147 [0,2,0,0,0,0|2,0,0]=4 13788 B14R0.493 CCCCCCCCCN(C)CCSC 2230a_100000686725_100011214924 [0,2,0,0,0,0|2,0,0]=4 13789 B14R0.493 CCCCCCCCCN(C)CCSC 269982a_100000232482_100000212216 [0,2,0,0,0,0|2,0,0]=4 13790 B14R0.493 CCCCCCCCCN(C)CCSC 269982a_100000686725_100000210670 [0,2,0,0,0,0|2,0,0]=4 13791 B14R0.493 CCCCCCCCCN([13CH3])CCC#N 2230a_200000021605_200025704644 [0,2,0,0,0,0|1,0,1]=4 13792 B14R0.493 CCCCCCCCNC(C)CCCC 2230a_100000126638_100000210759 [0,2,0,0,0,0|1,0,1]=4 13793 B14R0.493 CCCCCCCCNC(C)CCCC 2230a_100000229939_200011215066 [0,2,0,0,0,0|1,0,1]=4 13794 B14R0.493 CCCCCCCCNC(C)CCCC 270004a_100000229939_100000210087 [0,2,0,0,0,0|1,0,1]=4 13795 B14R0.493 CCCCCCCCNC(C)CCCC 34a_100000229939_200011215066 [0,2,0,0,0,0|1,0,1]=4 13796 B14R0.493 CCCCCCCCNC(C)CCOC 270004a_100000229939_100000742357 [0,2,0,0,0,0|2,0,0]=4 13797 B14R0.493 CCCCCCCCNC(C)CCSC 270004a_100000229939_100011217047 [0,2,0,0,0,0|2,0,0]=4 13798 B14R0.493 CCCCCCCCOC(C)CCCC 34a_100000210232_200011215066 [0,2,0,0,0,0|1,0,1]=4 13799 B14R0.493 CCCCCCCCOC(C)CCCC 34a_100000687866_100000210759 [0,2,0,0,0,0|1,0,1]=4 13800 B14R0.493 CCCCCCCCOC(C)CCCC 7a_100000210232_200011215066 [0,2,0,0,0,0|1,0,1]=4 13801 B14R0.493 CCCCCCCCOC(C)CCCC 7a_100000687866_100000210759 [0,2,0,0,0,0|1,0,1]=4 13802 B14R0.493 CCCCCCCCOC(C)CCCCl 34a_200000718107_100000210759 [0,2,0,0,0,0|1,0,1]=4 13803 B14R0.493 CCCCCCCCOC(C)CCCCl 7a_200000718107_100000210759 [0,2,0,0,0,0|1,0,1]=4 13804 B14R0.493 CCCCCCCCSC(C)CCCC 62a_100000210759_200011215066 [0,2,0,0,0,0|1,0,1]=4 13805 B14R0.493 CCCCCCCCSC(C)CCCC 62a_200011215066_100000210317 [0,2,0,0,0,0|1,0,1]=4 13806 B14R0.493 CCCCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210681 [0,2,0,0,0,0|0,0,2]=4 13807 B14R0.493 CCCCCCCNC[C@H](C)CCCO 34a_100160569302_100000210614 [0,2,0,0,0,0|0,0,2]=4 13808 B14R0.493 CCCCCCCOCC(C)CCCC 34a_100011995851_100000210614 [0,2,0,0,0,0|1,0,1]=4 13809 B14R0.493 CCCCCCCOCC(C)CCCC 7a_100011995851_100000210614 [0,2,0,0,0,0|1,0,1]=4 13810 B14R0.493 CCCCCCCOC[C@@H](N)CCCC 34a_100011934283_100000210614 [0,2,0,0,0,0|1,0,1]=4 13811 B14R0.493 CCCCCCCOC[C@@H](N)CCSC 34a_100011827619_100000210614 [0,2,0,0,0,0|2,0,0]=4 13812 B14R0.493 CCCCN(C)CCCCCCCCO 2230a_100000207549_100000033203 [0,2,0,0,0,0|0,0,2]=4 13813 B14R0.493 CCCCN(C)CCCCCCCCO 269982a_100000207549_100000033203 [0,2,0,0,0,0|0,0,2]=4 13814 B14R0.493 CCCCOCCCCC(C)CCCC 34a_200011021034_100000210210 [0,2,0,0,0,0|1,0,1]=4 13815 B14R0.493 CCCCOCCCCC(C)CCCC 7a_200011021034_100000210211 [0,2,0,0,0,0|1,0,1]=4 13816 B14R0.493 CCCC[C@H](N)COCCCCCCF 34a_100011934283_100015922095 [0,2,0,0,0,0|1,0,1]=4 13817 B14R0.493 CCCC[C@H](N)COCCCCCCO 34a_100011934283_100000766143 [0,2,0,0,0,0|0,0,2]=4 13818 B14R0.493 CCCNC(=O)CCCSCCCC=O 62a_100011194427_200011292268 [0,2,0,0,0,0|1,0,1]=4 13819 B14R0.493 CCCNC(=O)CCCSCCCC=O 62a_200011292268_100011194427 [0,2,0,0,0,0|1,0,1]=4 13820 B14R0.493 CCCNC(=O)CNCCCCCC=O 2230a_100000174927_100000139337 [0,2,0,0,0,0|1,0,1]=4 13821 B14R0.493 CCCNC(=O)CSCCCCCC=O 62a_100000139337_100000183358 [0,2,0,0,0,0|1,0,1]=4 13822 B14R0.493 CCCNC(=O)CSCCCCCC=O 62a_100000183358_100000139337 [0,2,0,0,0,0|1,0,1]=4 13823 B14R0.493 CCCOC(=O)CSCCCCCC=O 62a_100000139337_200011215008 [0,2,0,0,0,0|1,0,1]=4 13824 B14R0.493 CCCOC(=O)CSCCCCCC=O 62a_200011215008_100000139337 [0,2,0,0,0,0|1,0,1]=4 13825 B14R0.493 CCCOC(C)CNCCCCCC=O 2230a_100015185124_100000139337 [0,2,0,0,0,0|1,0,0]=3 13826 B14R0.493 CCOCC(O)CNCCCCCC=O 2230a_102515437182_100000139337 [0,2,0,0,0,0|1,0,0]=3 13827 B14R0.493 COCO[C@H](C)COCCCCCC=O 7a_100016172286_100000139337 [0,2,0,0,0,0|2,0,0]=4 13828 B14R0.493 C[C@H](CCCO)CNCCCCCC=O 2230a_100160569302_100000139337 [0,2,0,0,0,0|1,0,0]=3 13829 B14R0.1390 C=CCC(C)(C)OCCCCCCCC 7a_100011995686_100000210759 [0,2,0,0,0,0|2,0,0]=4 13830 B14R0.1390 C=CCCCCCCOC(C)(C)CCC 7a_100000748436_100011215473 [0,2,0,0,0,0|2,0,0]=4 13831 B14R0.1390 C=CCCCCCOCC(C)(C)CCC 7a_100011995695_100000700193 [0,2,0,0,0,0|2,0,0]=4 13832 B14R0.1390 CCCC(C)(C)COCCCCCC=O 7a_100011995695_100000139337 [0,2,0,0,0,0|1,0,0]=3 13833 B14R0.1390 CCNC(C)(C)COCCCCCC=O 7a_100000747347_100000139337 [0,2,0,0,0,0|2,0,0]=4 13834 B14R0.1390 COCC(C)(C)CNCCCCCC=O 2230a_100000734190_100000139337 [0,2,0,0,0,0|2,0,0]=4 13835 B14R0.2 C=C(Br)CCOC(C)CCCCCCC 34a_100009813270_200011218727 [0,2,0,0,0,0|2,0,0]=4 13836 B14R0.2 C=C(C)CCOC(C)CCCCCCC 34a_100000764851_200011218727 [0,2,0,0,0,0|2,0,0]=4 13837 B14R0.2 C=C(C)CCOC(C)CCCCCCC 34a_200011215852_100000730704 [0,2,0,0,0,0|2,0,0]=4 13838 B14R0.2 C=C(C)CCOC(C)CCCCCCC 7a_200011215852_100000730704 [0,2,0,0,0,0|2,0,0]=4 13839 B14R0.2 C=C(C)CCSC(C)CCCCCCC 62a_100000730704_200011218727 [0,2,0,0,0,0|2,0,0]=4 13840 B14R0.2 C=C(C)CCSC(C)CCCCCCC 62a_200011218727_100000730704 [0,2,0,0,0,0|2,0,0]=4 13841 B14R0.2 C=CCCCCCC(=O)CCCC(C)C 1458a_100011216857_100000700193 [0,2,0,0,0,0|1,0,1]=4 13842 B14R0.2 C=CCCCCCC(=O)CCCC(C)C 1458a_100011934241_100011214892 [0,2,0,0,0,0|1,0,1]=4 13843 B14R0.2 C=CCCCCCC(=O)CCCC(C)O 1458a_100011934241_200000718107 [0,2,0,0,0,0|1,0,1]=4 13844 B14R0.2 C=CCCCCNC(C)CCCC(C)C 2230a_100000210607_100011215482 [0,2,0,0,0,0|2,0,0]=4 13845 B14R0.2 C=CCCCCNC(C)CCCC(C)C 270004a_100000703577_100000753411 [0,2,0,0,0,0|2,0,0]=4 13846 B14R0.2 C=CCCCCOC(C)CCCC(C)C 34a_200011218570_100011215482 [0,2,0,0,0,0|2,0,0]=4 13847 B14R0.2 C=CCCCCOC(C)CCCC(C)C 7a_200011218570_100011215482 [0,2,0,0,0,0|2,0,0]=4 13848 B14R0.2 C=CCCNCCC(C)CCCC(C)C 2230a_100015191253_100009816328 [0,2,0,0,0,0|2,0,0]=4 13849 B14R0.2 C=CCCNCCC(C)CCCC(C)C 2230a_102516457229_100000754431 [0,2,0,0,0,0|2,0,0]=4 13850 B14R0.2 C=CCCOCCC(C)CCCC(C)C 34a_100000015991_100000754431 [0,2,0,0,0,0|2,0,0]=4 13851 B14R0.2 C=CCCOCCC(C)CCCC(C)C 34a_100011205117_100009816328 [0,2,0,0,0,0|2,0,0]=4 13852 B14R0.2 C=CCCOCCC(C)CCCC(C)C 7a_100000015991_100000754431 [0,2,0,0,0,0|2,0,0]=4 13853 B14R0.2 C=CCCSCCC(C)CCCC(C)C 62a_100000754431_100009816328 [0,2,0,0,0,0|2,0,0]=4 13854 B14R0.2 C=CCCSCCC(C)CCCC(C)C 62a_100009816328_100000754431 [0,2,0,0,0,0|2,0,0]=4 13855 B14R0.2 CC(=O)CCCC(=O)CCCCCCO 1458a_100011996774_100011215641 [0,2,0,0,0,0|1,0,1]=4 13856 B14R0.2 CC(C)CCCC(C)NCCCCC=O 2230a_100000210607_100000139335 [0,2,0,0,0,0|1,0,0]=3 13857 B14R0.2 CC(C)CCCC(C)OCCCCC=O 7a_200011218570_100000139335 [0,2,0,0,0,0|1,0,0]=3 13858 B14R0.2 CC(CCCC(=O)[O-])OCCCCCF 7a_100000761597_100000729378 [0,2,0,0,0,0|2,0,0]=4 13859 B14R0.2 CC(CCCC(=O)[O-])OCCCCCO 7a_100000761597_100000746330 [0,2,0,0,0,0|2,0,0]=4 13860 B14R0.2 CCCCCCCC(=O)CCCC(=O)C 1458a_100000211969_100011215641 [0,2,0,0,0,0|0,0,1]=3 13861 B14R0.2 CCCCCCCC(=O)CCCC(=O)N 1458a_100000211969_100102525003 [0,2,0,0,0,0|0,0,1]=3 13862 B14R0.2 CCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210614 [0,2,0,0,0,0|1,0,1]=4 13863 B14R0.2 CCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210614 [0,2,0,0,0,0|1,0,1]=4 13864 B14R0.2 CCCCCCCC(=O)CCNC(=O)C 1458a_100000211969_100000189650 [0,2,0,0,0,0|1,0,1]=4 13865 B14R0.2 CCCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210614 [0,2,0,0,0,0|1,0,1]=4 13866 B14R0.2 CCCCCCCC(=O)CCNC(=O)N 1458a_100000211969_200000034859 [0,2,0,0,0,0|1,0,1]=4 13867 B14R0.2 CCCCCCCC(=O)CCOC(=O)C 1458a_100000211969_100009814007 [0,2,0,0,0,0|1,0,1]=4 13868 B14R0.2 CCCCCCCC(=O)CCOC(=O)N 1458a_100000211969_200011214921 [0,2,0,0,0,0|1,0,1]=4 13869 B14R0.2 CCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210614 [0,2,0,0,0,0|1,0,1]=4 13870 B14R0.2 CCCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210614 [0,2,0,0,0,0|1,0,1]=4 13871 B14R0.2 CCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000211969 [0,2,0,0,0,0|1,0,1]=4 13872 B14R0.2 CCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000211969 [0,2,0,0,0,0|1,0,1]=4 13873 B14R0.2 CCCCCCCC(=O)NCCC(=O)N 527a_100000740010_100000211969 [0,2,0,0,0,0|1,0,1]=4 13874 B14R0.2 CCCCCCCC(C)NOCC(=O)O 269956a_100000106656_200011218727 [0,2,0,0,0,0|2,0,0]=4 13875 B14R0.2 CCCCCCCC(C)OCCC(=O)C 34a_100000759926_200011218727 [0,2,0,0,0,0|1,0,0]=3 13876 B14R0.2 CCCCCCCC(C)OCCC(=O)C 7a_100000759926_200011218727 [0,2,0,0,0,0|1,0,0]=3 13877 B14R0.2 CCCCCCCC(C)OCCC(=O)C 7a_200011215852_100000053229 [0,2,0,0,0,0|1,0,0]=3 13878 B14R0.2 CCCCCCCC(C)OCCC(=O)N 34a_100000757172_200011218727 [0,2,0,0,0,0|1,0,0]=3 13879 B14R0.2 CCCCCCCC(C)OCCC(=O)N 34a_200011215852_100000731001 [0,2,0,0,0,0|1,0,0]=3 13880 B14R0.2 CCCCCCCC(C)OCCC(=O)N 7a_100000757172_200011218727 [0,2,0,0,0,0|1,0,0]=3 13881 B14R0.2 CCCCCCCC(C)OCCC(=O)N 7a_200011215852_100000744528 [0,2,0,0,0,0|1,0,0]=3 13882 B14R0.2 CCCCCCCC(C)OCOC(=O)C 34a_200011215852_100009813279 [0,2,0,0,0,0|2,0,0]=4 13883 B14R0.2 CCCCCCCC(C)SCCC(=O)C 62a_100000053229_200011218727 [0,2,0,0,0,0|1,0,0]=3 13884 B14R0.2 CCCCCCCC(C)SCCC(=O)C 62a_200011218727_100000053229 [0,2,0,0,0,0|1,0,0]=3 13885 B14R0.2 CCCCCCCC(C)SCCC(=O)N 62a_100000744528_200011218727 [0,2,0,0,0,0|1,0,0]=3 13886 B14R0.2 CCCCCCCC(C)SCCC(=O)N 62a_200011218727_100000744528 [0,2,0,0,0,0|1,0,0]=3 13887 B14R0.2 CCCCCCCC(C)SCOC(=O)C 62a_100000076356_200011218727 [0,2,0,0,0,0|2,0,0]=4 13888 B14R0.2 CCCCCCCC(C)SCOC(=O)C 62a_200011218727_100000076356 [0,2,0,0,0,0|2,0,0]=4 13889 B14R0.2 CCCCCCCN(C)CCCC(=O)C 269982a_100000228206_100011215641 [0,2,0,0,0,0|1,0,0]=3 13890 B14R0.2 CCCCCCCN(C)CCCC(=O)N 269982a_100000228206_100102525003 [0,2,0,0,0,0|1,0,0]=3 13891 B14R0.2 CCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210614 [0,2,0,0,0,0|1,0,0]=3 13892 B14R0.2 CCCCCCCN(C)CCNC(=O)C 2230a_100000228206_100000189650 [0,2,0,0,0,0|2,0,0]=4 13893 B14R0.2 CCCCCCCN(C)CCNC(=O)C 269982a_100000228206_100000189650 [0,2,0,0,0,0|2,0,0]=4 13894 B14R0.2 CCCCCCCN(C)CCNC(=O)N 2230a_100000228206_200000034859 [0,2,0,0,0,0|2,0,0]=4 13895 B14R0.2 CCCCCCCN(C)CCNC(=O)N 269982a_100000228206_200000034859 [0,2,0,0,0,0|2,0,0]=4 13896 B14R0.2 CCCCCCCN(C)CCOC(=O)C 269982a_100000228206_100009814007 [0,2,0,0,0,0|2,0,0]=4 13897 B14R0.2 CCCCCCCN(C)CCOC(=O)N 269982a_100000228206_200011214921 [0,2,0,0,0,0|2,0,0]=4 13898 B14R0.2 CCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210314 [0,2,0,0,0,0|1,0,0]=3 13899 B14R0.2 CCCCOCCN(C)CCCC(=O)O 269956a_100000719178_100000743108 [0,2,0,0,0,0|2,0,0]=4 13900 B14R0.2 CCCOCCOC(C)CCCC(=O)[O-] 7a_100000761597_100011215938 [0,2,0,0,0,0|2,0,0]=4 13901 B14R0.2 CCOCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100012232248 [0,2,0,0,0,0|2,0,0]=4 13902 B14R0.2 CN(C)CCCN(C)CCCCCC=O 269982a_100000225831_100000139337 [0,2,0,0,0,0|2,0,0]=4 13903 B14R0.2 CN(CCCCCCF)CCCC(=O)O 269956a_100000719178_100015922095 [0,2,0,0,0,0|2,0,0]=4 13904 B14R0.2 CN(CCCCCCO)CCCC(=O)O 269956a_100000719178_100000766143 [0,2,0,0,0,0|2,0,0]=4 13905 B14R0.2 COCCCCCC(=O)CCCC(=O)C 1458a_100011935119_100011215641 [0,2,0,0,0,0|1,0,1]=4 13906 B14R0.2 COCCCCCC(=O)CCCC(=O)N 1458a_100011935119_100102525003 [0,2,0,0,0,0|1,0,1]=4 13907 B14R0.2 COCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000730899 [0,2,0,0,0,0|2,0,0]=4 13908 B14R0.2 NC(=O)CCCC(=O)CCCCCCO 1458a_100011996774_100102525003 [0,2,0,0,0,0|1,0,1]=4 13909 B14R0.68 C=C(C)CCNCCCCCCC(C)C 2230a_100000211014_100000730704 [0,2,0,0,0,0|2,0,0]=4 13910 B14R0.68 C=C(C)CCNCCCCCCC(C)C 34a_100000211014_100000730704 [0,2,0,0,0,0|2,0,0]=4 13911 B14R0.68 C=C(C)COCCCCCCCC(C)C 34a_200000210741_100000748629 [0,2,0,0,0,0|2,0,0]=4 13912 B14R0.68 C=C(C)COCCCCCCCC(C)C 7a_200000210741_100000748629 [0,2,0,0,0,0|2,0,0]=4 13913 B14R0.68 C=C(F)COCCCCCCCC(C)C 34a_200000210741_100009893438 [0,2,0,0,0,0|2,0,0]=4 13914 B14R0.68 C=C(F)COCCCCCCCC(C)C 7a_200000210741_100000042424 [0,2,0,0,0,0|2,0,0]=4 13915 B14R0.68 CC(=O)CCCCNCCCCC(=O)N 34a_100000696515_100009817362 [0,2,0,0,0,0|1,0,1]=4 13916 B14R0.68 CC(=O)CCCCNCCCOC(C)C 34a_100000737246_100009817362 [0,2,0,0,0,0|2,0,0]=4 13917 B14R0.68 CC(=O)CCCCOCCCCC(=O)N 34a_100012022536_100009817362 [0,2,0,0,0,0|1,0,1]=4 13918 B14R0.68 CC(=O)CCCCOCCCCC(=O)N 7a_100012022536_100000735457 [0,2,0,0,0,0|1,0,1]=4 13919 B14R0.68 CC(=O)CCCCOCCCCC(C)C 34a_100011214890_100009817362 [0,2,0,0,0,0|1,0,0]=3 13920 B14R0.68 CC(=O)CCCCOCCCCC(C)C 7a_100011214890_100000735457 [0,2,0,0,0,0|1,0,0]=3 13921 B14R0.68 CC(=O)CCCCOCCCNC(C)C 34a_100000182298_100009817362 [0,2,0,0,0,0|2,0,0]=4 13922 B14R0.68 CC(=O)CCCCOCCNCC(C)C 34a_100015185251_100009817362 [0,2,0,0,0,0|2,0,0]=4 13923 B14R0.68 CC(=O)CCCCOCCOCC(C)C 34a_100000703358_100009817362 [0,2,0,0,0,0|2,0,0]=4 13924 B14R0.68 CC(=O)CCCCOCCOCC(C)C 7a_100000703358_100000735457 [0,2,0,0,0,0|2,0,0]=4 13925 B14R0.68 CC(=O)CCCCOCCSCC(C)C 34a_200000230437_100009817362 [0,2,0,0,0,0|2,0,0]=4 13926 B14R0.68 CC(=O)CCCCOCCSCC(C)C 7a_200000230437_100000735457 [0,2,0,0,0,0|2,0,0]=4 13927 B14R0.68 CC(=O)CCCCSCCCCC(=O)C 62a_100000735457_100000735457 [0,2,0,0,0,0|1,0,1]=4 13928 B14R0.68 CC(=O)CCCCSCCCCC(C)C 62a_100000735457_100011216152 [0,2,0,0,0,0|1,0,0]=3 13929 B14R0.68 CC(=O)CCCCSCCCCC(C)C 62a_100011216152_100000735457 [0,2,0,0,0,0|1,0,0]=3 13930 B14R0.68 CC(=O)CCCCSCCCCN(C)C 62a_100000735457_100000690147 [0,2,0,0,0,0|2,0,0]=4 13931 B14R0.68 CC(=O)CCCNCCCCCC(C)C 34a_100011290863_100000685027 [0,2,0,0,0,0|1,0,0]=3 13932 B14R0.68 CC(=O)CCCNCCCOCC(C)C 34a_100000205972_100000685027 [0,2,0,0,0,0|2,0,0]=4 13933 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 34a_100000123541_100000685027 [0,2,0,0,0,0|1,0,1]=4 13934 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 34a_100000759063_100009817443 [0,2,0,0,0,0|1,0,1]=4 13935 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 7a_100000123541_100011215641 [0,2,0,0,0,0|1,0,1]=4 13936 B14R0.68 CC(=O)CCCOCCCCCC(=O)N 7a_100000759063_100009817443 [0,2,0,0,0,0|1,0,1]=4 13937 B14R0.68 CC(=O)CCCOCCCCCC(=O)[O-] 7a_100102619762_100011215641 [0,2,0,0,0,0|1,0,1]=4 13938 B14R0.68 CC(=O)CCCOCCCCCC(C)C 34a_100000759063_100000210682 [0,2,0,0,0,0|1,0,0]=3 13939 B14R0.68 CC(=O)CCCOCCCCCC(C)C 34a_100011995859_100000685027 [0,2,0,0,0,0|1,0,0]=3 13940 B14R0.68 CC(=O)CCCOCCCCCC(C)C 7a_100000759063_100000210682 [0,2,0,0,0,0|1,0,0]=3 13941 B14R0.68 CC(=O)CCCOCCCCCC(C)C 7a_100011995859_100011215641 [0,2,0,0,0,0|1,0,0]=3 13942 B14R0.68 CC(=O)CCCOCCCCNC(C)C 34a_100011521146_100000685027 [0,2,0,0,0,0|2,0,0]=4 13943 B14R0.68 CC(=O)CCCSCCCCCC(=O)N 62a_100009817443_100011215641 [0,2,0,0,0,0|1,0,1]=4 13944 B14R0.68 CC(=O)CCCSCCCCCC(=O)N 62a_100011215641_100009817443 [0,2,0,0,0,0|1,0,1]=4 13945 B14R0.68 CC(=O)CCCSCCCCCC(C)C 62a_100000210682_100011215641 [0,2,0,0,0,0|1,0,0]=3 13946 B14R0.68 CC(=O)CCCSCCCCCC(C)C 62a_100011215641_100000210682 [0,2,0,0,0,0|1,0,0]=3 13947 B14R0.68 CC(=O)NCCCCCCNCC(C)C 2230a_200011996284_100000210760 [0,2,0,0,0,0|2,0,0]=4 13948 B14R0.68 CC(=O)NCCCCCCNCC(C)C 270004a_200011996284_100000210432 [0,2,0,0,0,0|2,0,0]=4 13949 B14R0.68 CC(=O)NCCCCCCNCC(C)C 34a_200011996284_100000210624 [0,2,0,0,0,0|2,0,0]=4 13950 B14R0.68 CC(=O)NCCCCCCNCC(C)O 2230a_200011996284_100011218427 [0,2,0,0,0,0|2,0,0]=4 13951 B14R0.68 CC(=O)NCCCCCCNCC(C)O 34a_200011996284_100011218427 [0,2,0,0,0,0|2,0,0]=4 13952 B14R0.68 CC(=O)NCCCCCCNC[C@@H](C)O 2230a_200011996284_100009817552 [0,2,0,0,0,0|2,0,0]=4 13953 B14R0.68 CC(=O)NCCCCCCNC[C@@H](C)O 34a_200011996284_100009817552 [0,2,0,0,0,0|2,0,0]=4 13954 B14R0.68 CC(=O)NCCCCCNCCC(C)C 2230a_200012022750_100000210312 [0,2,0,0,0,0|2,0,0]=4 13955 B14R0.68 CC(=O)NCCCCCNCCC(C)C 269862a_200012022750_100000185833 [0,2,0,0,0,0|2,0,0]=4 13956 B14R0.68 CC(=O)NCCCCCNCCC(C)C 34a_200012022750_100000210312 [0,2,0,0,0,0|2,0,0]=4 13957 B14R0.68 CC(=O)NCCCCCNCCC(C)O 2230a_200012022750_100012276601 [0,2,0,0,0,0|2,0,0]=4 13958 B14R0.68 CC(=O)NCCCCCNCCC(C)O 34a_200012022750_100012276601 [0,2,0,0,0,0|2,0,0]=4 13959 B14R0.68 CC(=O)NCCCCNCCCC(C)C 2230a_200011368371_100011214892 [0,2,0,0,0,0|2,0,0]=4 13960 B14R0.68 CC(=O)NCCCCNCCCC(C)C 34a_200011368371_100011214892 [0,2,0,0,0,0|2,0,0]=4 13961 B14R0.68 CC(=O)NCCCCNCCCC(C)O 2230a_200011368371_200000718107 [0,2,0,0,0,0|2,0,0]=4 13962 B14R0.68 CC(=O)NCCCCNCCCC(C)O 34a_200011368371_200000718107 [0,2,0,0,0,0|2,0,0]=4 13963 B14R0.68 CC(=O)NCCCNCCCCC(C)C 34a_100000736810_100011216152 [0,2,0,0,0,0|2,0,0]=4 13964 B14R0.68 CC(=O)NCCCOCCCCC(C)C 34a_100000752032_100011216152 [0,2,0,0,0,0|2,0,0]=4 13965 B14R0.68 CC(=O)NCCNCCCCCC(C)C 2230a_100000209853_100000210682 [0,2,0,0,0,0|2,0,0]=4 13966 B14R0.68 CC(=O)NCCNCCCCCC(C)C 2230a_100011290863_100000189650 [0,2,0,0,0,0|2,0,0]=4 13967 B14R0.68 CC(=O)NCCOCCCCCC(C)C 34a_100000158858_100000210682 [0,2,0,0,0,0|2,0,0]=4 13968 B14R0.68 CC(=O)NCCOCCCCCC(C)C 7a_100011995859_100000189650 [0,2,0,0,0,0|2,0,0]=4 13969 B14R0.68 CC(=O)NCCSCCCCCC(C)C 62a_100000189650_100000210682 [0,2,0,0,0,0|2,0,0]=4 13970 B14R0.68 CC(=O)NCCSCCCCCC(C)C 62a_100000210682_100000189650 [0,2,0,0,0,0|2,0,0]=4 13971 B14R0.68 CC(=O)OCCCCCNCCC(C)O 2230a_200000755665_100009813381 [0,2,0,0,0,0|2,0,0]=4 13972 B14R0.68 CC(=O)OCCCCCOCCC(C)Br 34a_100009893172_100000033007 [0,2,0,0,0,0|2,0,0]=4 13973 B14R0.68 CC(=O)OCCCCCOCCC(C)C 34a_100000210254_100000033007 [0,2,0,0,0,0|2,0,0]=4 13974 B14R0.68 CC(=O)OCCCCCOCCC(C)C 7a_100000210254_100000033007 [0,2,0,0,0,0|2,0,0]=4 13975 B14R0.68 CC(=O)OCCCCCOCC[C@@H](C)N 34a_100000706166_100000033007 [0,2,0,0,0,0|2,0,0]=4 13976 B14R0.68 CC(=O)OCCCCCSCCC(C)C 62a_100000033007_100000210312 [0,2,0,0,0,0|2,0,0]=4 13977 B14R0.68 CC(=O)OCCCCCSCCC(C)C 62a_100000210312_100000033007 [0,2,0,0,0,0|2,0,0]=4 13978 B14R0.68 CC(=O)OCCCCCSCCC(C)O 62a_100000033007_100012276601 [0,2,0,0,0,0|2,0,0]=4 13979 B14R0.68 CC(=O)OCCCCCSCCC(C)O 62a_100012276601_100000033007 [0,2,0,0,0,0|2,0,0]=4 13980 B14R0.68 CC(=O)OCCCCNCCCC(C)C 34a_200000737386_100000033659 [0,2,0,0,0,0|2,0,0]=4 13981 B14R0.68 CC(=O)OCCCCOCCCC(C)C 34a_100000073216_100011214892 [0,2,0,0,0,0|2,0,0]=4 13982 B14R0.68 CC(=O)OCCCCOCCCC(C)C 34a_100000210774_100000033659 [0,2,0,0,0,0|2,0,0]=4 13983 B14R0.68 CC(=O)OCCCCOCCCC(C)C 7a_100000073216_100011214892 [0,2,0,0,0,0|2,0,0]=4 13984 B14R0.68 CC(=O)OCCCCOCCCC(C)C 7a_100000210774_100000033659 [0,2,0,0,0,0|2,0,0]=4 13985 B14R0.68 CC(=O)OCCCCOCCCC(C)O 34a_100000073216_200000718107 [0,2,0,0,0,0|2,0,0]=4 13986 B14R0.68 CC(=O)OCCCCOCCCC(C)O 7a_100000073216_200000718107 [0,2,0,0,0,0|2,0,0]=4 13987 B14R0.68 CC(=O)OCCCCSCCCC(C)C 62a_100000033659_100011214892 [0,2,0,0,0,0|2,0,0]=4 13988 B14R0.68 CC(=O)OCCCCSCCCC(C)C 62a_100011214892_100000033659 [0,2,0,0,0,0|2,0,0]=4 13989 B14R0.68 CC(=O)OCCCCSCCCC(C)O 62a_100000033659_200000718107 [0,2,0,0,0,0|2,0,0]=4 13990 B14R0.68 CC(=O)OCCCCSCCCC(C)O 62a_200000718107_100000033659 [0,2,0,0,0,0|2,0,0]=4 13991 B14R0.68 CC(=O)OCCCOCCCCC(C)C 34a_100011214890_100000042594 [0,2,0,0,0,0|2,0,0]=4 13992 B14R0.68 CC(=O)OCCCOCCCCC(C)C 7a_100011214890_100000042594 [0,2,0,0,0,0|2,0,0]=4 13993 B14R0.68 CC(=O)OCCCSCCCCC(C)C 62a_100000042594_100011216152 [0,2,0,0,0,0|2,0,0]=4 13994 B14R0.68 CC(=O)OCCCSCCCCC(C)C 62a_100011216152_100000042594 [0,2,0,0,0,0|2,0,0]=4 13995 B14R0.68 CC(=O)OCCNCCCCCC(C)C 34a_100011290863_100009814007 [0,2,0,0,0,0|2,0,0]=4 13996 B14R0.68 CC(=O)OCCOCCCCCC(C)C 34a_100011995859_100009814007 [0,2,0,0,0,0|2,0,0]=4 13997 B14R0.68 CC(=O)OCCOCCCCCC(C)C 7a_100011995859_100009814007 [0,2,0,0,0,0|2,0,0]=4 13998 B14R0.68 CC(=O)OCCSCCCCCC(C)C 62a_100000210682_100009814007 [0,2,0,0,0,0|2,0,0]=4 13999 B14R0.68 CC(=O)OCCSCCCCCC(C)C 62a_100009814007_100000210682 [0,2,0,0,0,0|2,0,0]=4 14000 B14R0.68 CC(=O)OCNCCCCCCC(C)C 34a_100000211014_100009813279 [0,2,0,0,0,0|2,0,0]=4 14001 B14R0.68 CC(=O)SCCCCCCNCC(C)C 270004a_100000704104_100000210432 [0,2,0,0,0,0|2,0,0]=4 14002 B14R0.68 CC(=O)SCCCCNCCCC(C)C 2230a_200000737386_200010402107 [0,2,0,0,0,0|2,0,0]=4 14003 B14R0.68 CC(=O)SCCCCNCCCC(C)C 34a_200000737386_200010402107 [0,2,0,0,0,0|2,0,0]=4 14004 B14R0.68 CC(=O)SCCCCOCCCC(C)C 34a_100000210774_200010402107 [0,2,0,0,0,0|2,0,0]=4 14005 B14R0.68 CC(=O)SCCCCOCCCC(C)C 7a_100000210774_200010402107 [0,2,0,0,0,0|2,0,0]=4 14006 B14R0.68 CC(=O)SCCCCSCCCC(C)C 62a_100011214892_200010402107 [0,2,0,0,0,0|2,0,0]=4 14007 B14R0.68 CC(=O)SCCCCSCCCC(C)C 62a_200010402107_100011214892 [0,2,0,0,0,0|2,0,0]=4 14008 B14R0.68 CC(=O)SCCCCSCCCC(C)O 62a_200000718107_200010402107 [0,2,0,0,0,0|2,0,0]=4 14009 B14R0.68 CC(=O)SCCCCSCCCC(C)O 62a_200010402107_200000718107 [0,2,0,0,0,0|2,0,0]=4 14010 B14R0.68 CC(=O)SCCCOCCCCC(C)C 34a_100011214890_100000038929 [0,2,0,0,0,0|2,0,0]=4 14011 B14R0.68 CC(=O)SCCCOCCCCC(C)C 7a_100011214890_100000038929 [0,2,0,0,0,0|2,0,0]=4 14012 B14R0.68 CC(=O)SCCCSCCCCC(C)C 62a_100000038929_100011216152 [0,2,0,0,0,0|2,0,0]=4 14013 B14R0.68 CC(=O)SCCCSCCCCC(C)C 62a_100011216152_100000038929 [0,2,0,0,0,0|2,0,0]=4 14014 B14R0.68 CC(C)CCCCCCCOCC(=O)N 34a_200000210741_100000187820 [0,2,0,0,0,0|1,0,0]=3 14015 B14R0.68 CC(C)CCCCCCCOCC(=O)N 7a_200000210741_100000187820 [0,2,0,0,0,0|1,0,0]=3 14016 B14R0.68 CC(C)CCCCCCCOCC(=O)[O-] 34a_200000210741_100020667443 [0,2,0,0,0,0|1,0,0]=3 14017 B14R0.68 CC(C)CCCCCCCOC[N+](=O)[O-] 34a_200000210741_100000761209 [0,2,0,0,0,0|2,0,0]=4 14018 B14R0.68 CC(C)CCCCCCNCCC(=O)N 2230a_100000211014_100000744528 [0,2,0,0,0,0|1,0,0]=3 14019 B14R0.68 CC(C)CCCCCCNCCC(=O)N 34a_100000211014_100000731001 [0,2,0,0,0,0|1,0,0]=3 14020 B14R0.68 CC(C)CCCCCNCCCC(=O)N 34a_100000739312_100000210682 [0,2,0,0,0,0|1,0,0]=3 14021 B14R0.68 CC(C)CCCCCNCCCC(=O)N 34a_100011290863_100102525003 [0,2,0,0,0,0|1,0,0]=3 14022 B14R0.68 CC(C)CCCCCNCCCS(=O)C 2230a_200000753449_100000210682 [0,2,0,0,0,0|2,0,0]=4 14023 B14R0.68 CC(C)CCCCCNCCNC(=O)N 2230a_100011290863_200000034859 [0,2,0,0,0,0|2,0,0]=4 14024 B14R0.68 CC(C)CCCCCNCCNC(=O)N 34a_100020590234_100000210682 [0,2,0,0,0,0|2,0,0]=4 14025 B14R0.68 CC(C)CCCCCNCCOC(=O)N 34a_100011290863_200011214921 [0,2,0,0,0,0|2,0,0]=4 14026 B14R0.68 CC(C)CCCCCOCCCC(=O)N 34a_100011995859_100102525003 [0,2,0,0,0,0|1,0,0]=3 14027 B14R0.68 CC(C)CCCCCOCCCC(=O)N 7a_100011995859_100102525003 [0,2,0,0,0,0|1,0,0]=3 14028 B14R0.68 CC(C)CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210682 [0,2,0,0,0,0|2,0,0]=4 14029 B14R0.68 CC(C)CCCCCOCCNC(=O)N 34a_100000181757_100000210682 [0,2,0,0,0,0|2,0,0]=4 14030 B14R0.68 CC(C)CCCCCOCCNC(=O)N 7a_100011995859_200000034859 [0,2,0,0,0,0|2,0,0]=4 14031 B14R0.68 CC(C)CCCCCOCCOC(=O)N 34a_100011995859_200011214921 [0,2,0,0,0,0|2,0,0]=4 14032 B14R0.68 CC(C)CCCCCOCCOC(=O)N 7a_100000766696_100000210682 [0,2,0,0,0,0|2,0,0]=4 14033 B14R0.68 CC(C)CCCCCOCCOC(=O)N 7a_100011995859_200011214921 [0,2,0,0,0,0|2,0,0]=4 14034 B14R0.68 CC(C)CCCCCSCCCC(=O)N 62a_100000210682_100102525003 [0,2,0,0,0,0|1,0,0]=3 14035 B14R0.68 CC(C)CCCCCSCCCC(=O)N 62a_100102525003_100000210682 [0,2,0,0,0,0|1,0,0]=3 14036 B14R0.68 CC(C)CCCCCSCCNC(=O)N 62a_100000210682_200000034859 [0,2,0,0,0,0|2,0,0]=4 14037 B14R0.68 CC(C)CCCCCSCCNC(=O)N 62a_200000034859_100000210682 [0,2,0,0,0,0|2,0,0]=4 14038 B14R0.68 CC(C)CCCCCSCCOC(=O)N 62a_100000210682_200011214921 [0,2,0,0,0,0|2,0,0]=4 14039 B14R0.68 CC(C)CCCCCSCCOC(=O)N 62a_200011214921_100000210682 [0,2,0,0,0,0|2,0,0]=4 14040 B14R0.68 CC(C)CCCCNCCCCC(=O)N 34a_100000696515_100011216152 [0,2,0,0,0,0|1,0,0]=3 14041 B14R0.68 CC(C)CCCCNCCOCC(=O)O 269956a_100000700818_100011216152 [0,2,0,0,0,0|2,0,0]=4 14042 B14R0.68 CC(C)CCCCOCCCCC(=O)N 34a_100012022536_100011216152 [0,2,0,0,0,0|1,0,0]=3 14043 B14R0.68 CC(C)CCCCOCCCCC(=O)N 7a_100012022536_100011216152 [0,2,0,0,0,0|1,0,0]=3 14044 B14R0.68 CC(C)CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100011216152 [0,2,0,0,0,0|2,0,0]=4 14045 B14R0.68 CC(C)CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100011216152 [0,2,0,0,0,0|2,0,0]=4 14046 B14R0.68 CC(C)CCCCOCCOCC(=O)N 34a_100011214890_100000076697 [0,2,0,0,0,0|2,0,0]=4 14047 B14R0.68 CC(C)CCCCOCCOCC(=O)N 7a_100011214890_100000076697 [0,2,0,0,0,0|2,0,0]=4 14048 B14R0.68 CC(C)CCCCSCCOCC(=O)N 62a_100000076697_100011216152 [0,2,0,0,0,0|2,0,0]=4 14049 B14R0.68 CC(C)CCCCSCCOCC(=O)N 62a_100011216152_100000076697 [0,2,0,0,0,0|2,0,0]=4 14050 B14R0.68 CC(C)CCCNCCCCCC(=O)N 2230a_200000737386_100009817443 [0,2,0,0,0,0|1,0,0]=3 14051 B14R0.68 CC(C)CCCNCCCCCC(=O)N 34a_200000737386_100009817443 [0,2,0,0,0,0|1,0,0]=3 14052 B14R0.68 CC(C)CCCOCCCCCC(=O)N 34a_100000123541_100011214892 [0,2,0,0,0,0|1,0,0]=3 14053 B14R0.68 CC(C)CCCOCCCCCC(=O)N 34a_100000210774_100009817443 [0,2,0,0,0,0|1,0,0]=3 14054 B14R0.68 CC(C)CCCOCCCCCC(=O)N 7a_100000123541_100011214892 [0,2,0,0,0,0|1,0,0]=3 14055 B14R0.68 CC(C)CCCOCCCCCC(=O)N 7a_100000210774_100009817443 [0,2,0,0,0,0|1,0,0]=3 14056 B14R0.68 CC(C)CCCOCCCCCC(=O)[O-] 7a_100102619762_100011214892 [0,2,0,0,0,0|1,0,0]=3 14057 B14R0.68 CC(C)CCCSCCCCCC(=O)N 62a_100009817443_100011214892 [0,2,0,0,0,0|1,0,0]=3 14058 B14R0.68 CC(C)CCCSCCCCCC(=O)N 62a_100011214892_100009817443 [0,2,0,0,0,0|1,0,0]=3 14059 B14R0.68 CC(C)COCCCNCCCC(=O)N 34a_100000205972_100102525003 [0,2,0,0,0,0|2,0,0]=4 14060 B14R0.68 CC(C)NCCCCCOCCC(=O)N 34a_100011629493_100000731001 [0,2,0,0,0,0|2,0,0]=4 14061 B14R0.68 CC(C)NCCCCOCCCC(=O)N 34a_100011521146_100102525003 [0,2,0,0,0,0|2,0,0]=4 14062 B14R0.68 CC(C)NCCOCCCCCC(=O)N 34a_100000224655_100009817443 [0,2,0,0,0,0|2,0,0]=4 14063 B14R0.68 CC(C)OCCNCCCCCC(=O)N 2230a_100000701111_100009817443 [0,2,0,0,0,0|2,0,0]=4 14064 B14R0.68 CC(C)OCCNCCCCCC(=O)N 34a_100000701111_100009817443 [0,2,0,0,0,0|2,0,0]=4 14065 B14R0.68 CC(C)OCCOCCCCCC(=O)N 34a_100000123541_100000211751 [0,2,0,0,0,0|2,0,0]=4 14066 B14R0.68 CC(C)OCCOCCCCCC(=O)N 34a_100000211219_100009817443 [0,2,0,0,0,0|2,0,0]=4 14067 B14R0.68 CC(C)OCCOCCCCCC(=O)N 7a_100000123541_100000211751 [0,2,0,0,0,0|2,0,0]=4 14068 B14R0.68 CC(C)OCCOCCCCCC(=O)N 7a_100000211219_100009817443 [0,2,0,0,0,0|2,0,0]=4 14069 B14R0.68 CC(C)OCCOCCCCCC(=O)[O-] 7a_100102619762_100000211751 [0,2,0,0,0,0|2,0,0]=4 14070 B14R0.68 CC(C)OCCSCCCCCC(=O)N 62a_100000211751_100009817443 [0,2,0,0,0,0|2,0,0]=4 14071 B14R0.68 CC(C)OCCSCCCCCC(=O)N 62a_100009817443_100000211751 [0,2,0,0,0,0|2,0,0]=4 14072 B14R0.68 CC(C)SCCNCCCCCC(=O)N 2230a_100000731138_100009817443 [0,2,0,0,0,0|2,0,0]=4 14073 B14R0.68 CC(C)SCCNCCCCCC(=O)N 34a_100000731138_100009817443 [0,2,0,0,0,0|2,0,0]=4 14074 B14R0.68 CC(C)SCCOCCCCCC(=O)N 34a_100000123541_100000730970 [0,2,0,0,0,0|2,0,0]=4 14075 B14R0.68 CC(C)SCCOCCCCCC(=O)N 34a_200011212901_100009817443 [0,2,0,0,0,0|2,0,0]=4 14076 B14R0.68 CC(C)SCCOCCCCCC(=O)N 7a_100000123541_100000730970 [0,2,0,0,0,0|2,0,0]=4 14077 B14R0.68 CC(C)SCCOCCCCCC(=O)N 7a_200011212901_100009817443 [0,2,0,0,0,0|2,0,0]=4 14078 B14R0.68 CC(C)SCCOCCCCCC(=O)[O-] 7a_100102619762_100000730970 [0,2,0,0,0,0|2,0,0]=4 14079 B14R0.68 CC(C)SCCSCCCCCC(=O)N 62a_100000730970_100009817443 [0,2,0,0,0,0|2,0,0]=4 14080 B14R0.68 CC(C)SCCSCCCCCC(=O)N 62a_100009817443_100000730970 [0,2,0,0,0,0|2,0,0]=4 14081 B14R0.68 CC(O)CCCOCCCCCC(=O)N 34a_100000123541_200000718107 [0,2,0,0,0,0|1,0,0]=3 14082 B14R0.68 CC(O)CCCOCCCCCC(=O)N 7a_100000123541_200000718107 [0,2,0,0,0,0|1,0,0]=3 14083 B14R0.68 CC(O)CCCOCCCCCC(=O)[O-] 7a_100102619762_200000718107 [0,2,0,0,0,0|1,0,0]=3 14084 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_100009817443_200000718107 [0,2,0,0,0,0|1,0,0]=3 14085 B14R0.68 CC(O)CCCSCCCCCC(=O)N 62a_200000718107_100009817443 [0,2,0,0,0,0|1,0,0]=3 14086 B14R0.68 CN(C)CCCOCCCCCC(=O)N 7a_100000123541_100000757444 [0,2,0,0,0,0|2,0,0]=4 14087 B14R0.68 CN(C)CCCOCCCCCC(=O)[O-] 7a_100102619762_100000757444 [0,2,0,0,0,0|2,0,0]=4 14088 B14R0.68 CN(C)CCCSCCCCCC(=O)N 62a_100009817443_100000757444 [0,2,0,0,0,0|2,0,0]=4 14089 B14R0.68 CS(=O)CCCNCCCCCC(=O)N 2230a_200000753449_100009817443 [0,2,0,0,0,0|2,0,0]=4 14090 B14R0.88 C=CCCCCCCCCNC(C)(C)C 2230a_100000715429_100011933949 [0,2,0,0,0,0|2,0,0]=4 14091 B14R0.88 C=CCCCCCCCCOC(C)(C)C 34a_100011215194_100000210625 [0,2,0,0,0,0|2,0,0]=4 14092 B14R0.88 C=CCCCCCCCCOC(C)(C)C 34a_100015890283_100011933949 [0,2,0,0,0,0|2,0,0]=4 14093 B14R0.88 C=CCCCCCCCCOC(C)(C)C 7a_100015890283_100011933949 [0,2,0,0,0,0|2,0,0]=4 14094 B14R0.88 C=CCCCCCCCCSC(C)(C)C 62a_100000211941_100011933949 [0,2,0,0,0,0|2,0,0]=4 14095 B14R0.88 C=CCCCCCCCCSC(C)(C)C 62a_100011933949_100000211941 [0,2,0,0,0,0|2,0,0]=4 14096 B14R0.88 C=CCCCCCCCNCC(C)(C)C 2230a_100000743828_100012355270 [0,2,0,0,0,0|2,0,0]=4 14097 B14R0.88 C=CCCCCCCCNCC(C)(C)F 2230a_100020643315_100012355270 [0,2,0,0,0,0|2,0,0]=4 14098 B14R0.88 C=CCCCCCCCNCC(C)(C)O 2230a_100000751335_100012355270 [0,2,0,0,0,0|2,0,0]=4 14099 B14R0.88 C=CCCCCCCCOCC(C)(C)C 34a_100000730831_100011219605 [0,2,0,0,0,0|2,0,0]=4 14100 B14R0.88 C=CCCCCCCCOCC(C)(C)F 34a_100000716592_100012355270 [0,2,0,0,0,0|2,0,0]=4 14101 B14R0.88 C=CCCCCCCCOCC(C)(C)F 34a_100000730831_100011997219 [0,2,0,0,0,0|2,0,0]=4 14102 B14R0.88 C=CCCCCCCCOCC(C)(C)O 34a_100000730831_100000764493 [0,2,0,0,0,0|2,0,0]=4 14103 B14R0.88 C=CCCCCCCCOCC(C)(C)O 7a_100000730831_100000764493 [0,2,0,0,0,0|2,0,0]=4 14104 B14R0.88 C=CCCCCCCCOCC(C)(F)F 34a_100000068830_100012355270 [0,2,0,0,0,0|2,0,0]=4 14105 B14R0.88 C=CCCCCCCCSCC(C)(C)C 62a_100011219605_100012355270 [0,2,0,0,0,0|2,0,0]=4 14106 B14R0.88 C=CCCCCCCCSCC(C)(C)C 62a_100012355270_100011219605 [0,2,0,0,0,0|2,0,0]=4 14107 B14R0.88 C=CCCCCCCCSCC(C)(C)F 62a_100011997219_100012355270 [0,2,0,0,0,0|2,0,0]=4 14108 B14R0.88 C=CCCCCCCCSCC(C)(C)F 62a_100012355270_100011997219 [0,2,0,0,0,0|2,0,0]=4 14109 B14R0.88 C=CCCCCCCCSCC(C)(C)O 62a_100000764493_100012355270 [0,2,0,0,0,0|2,0,0]=4 14110 B14R0.88 C=CCCCCCCCSCC(C)(C)O 62a_100012355270_100000764493 [0,2,0,0,0,0|2,0,0]=4 14111 B14R0.88 C=CCCCCCCNCCC(C)(C)C 2230a_100000738805_100011215473 [0,2,0,0,0,0|2,0,0]=4 14112 B14R0.88 C=CCCCCCCNCCC(C)(C)F 2230a_100016253952_100011215473 [0,2,0,0,0,0|2,0,0]=4 14113 B14R0.88 C=CCCCCCCOCCC(C)(C)C 34a_200011216477_100000755188 [0,2,0,0,0,0|2,0,0]=4 14114 B14R0.88 C=CCCCCCCOCCC(C)(C)C 7a_100000765024_100011215473 [0,2,0,0,0,0|2,0,0]=4 14115 B14R0.88 C=CCCCCCCOCCC(C)(C)C 7a_200011216477_100000755188 [0,2,0,0,0,0|2,0,0]=4 14116 B14R0.88 C=CCCCCCCOCCC(C)(C)O 34a_200011216477_100000702414 [0,2,0,0,0,0|2,0,0]=4 14117 B14R0.88 C=CCCCCCCOCCC(C)(C)O 7a_200011216477_100000702414 [0,2,0,0,0,0|2,0,0]=4 14118 B14R0.88 C=CCCCCCCSCCC(C)(C)C 62a_100000755188_100011215473 [0,2,0,0,0,0|2,0,0]=4 14119 B14R0.88 C=CCCCCCCSCCC(C)(C)C 62a_100011215473_100000755188 [0,2,0,0,0,0|2,0,0]=4 14120 B14R0.88 C=CCCCCCCSCCC(C)(C)O 62a_100000702414_100011215473 [0,2,0,0,0,0|2,0,0]=4 14121 B14R0.88 C=CCCCCCCSCCC(C)(C)O 62a_100011215473_100000702414 [0,2,0,0,0,0|2,0,0]=4 14122 B14R0.88 C=CCCCCCOCCCC(C)(C)O 34a_100011216702_100009888830 [0,2,0,0,0,0|2,0,0]=4 14123 B14R0.88 C=CCCCCCOCCCC(C)(C)O 7a_100011216702_100009888830 [0,2,0,0,0,0|2,0,0]=4 14124 B14R0.88 C=CCCCCCSCCCC(C)(C)O 62a_100000700193_100009888830 [0,2,0,0,0,0|2,0,0]=4 14125 B14R0.88 C=CCCCCCSCCCC(C)(C)O 62a_100009888830_100000700193 [0,2,0,0,0,0|2,0,0]=4 14126 B14R0.88 C=CCCCNCCCCCC(C)(C)O 2230a_100000700776_100010402123 [0,2,0,0,0,0|2,0,0]=4 14127 B14R0.88 C=CCCCNCCCCCC(C)(C)O 34a_100000700776_100010402123 [0,2,0,0,0,0|2,0,0]=4 14128 B14R0.88 C=CCCCOCCCCCC(C)(C)O 34a_100000758997_100010402123 [0,2,0,0,0,0|2,0,0]=4 14129 B14R0.88 C=CCCCOCCCCCC(C)(C)O 7a_100000758997_100010402123 [0,2,0,0,0,0|2,0,0]=4 14130 B14R0.88 C=CCCCSCCCCCC(C)(C)O 62a_100010402123_100000757094 [0,2,0,0,0,0|2,0,0]=4 14131 B14R0.88 C=CCCCSCCCCCC(C)(C)O 62a_100011713584_100010402123 [0,2,0,0,0,0|2,0,0]=4 14132 B14R0.88 CC(C)(C)OCCCNCCCCC=O 2230a_100011250582_100000139335 [0,2,0,0,0,0|2,0,0]=4 14133 B14R0.88 CC(C)(C)OCCNCCCCCC=O 2230a_100000747557_100000139337 [0,2,0,0,0,0|2,0,0]=4 14134 B14R0.88 CC(C)(C)OCCOCCCCCC=O 7a_100000693234_100000139337 [0,2,0,0,0,0|2,0,0]=4 14135 B14R0.88 CC(C)(C)SCCNCCCCCC=O 2230a_100000689375_100000139337 [0,2,0,0,0,0|2,0,0]=4 14136 B14R0.88 CC(C)(O)CCCCCSCCCC=O 62a_100010402123_200011292268 [0,2,0,0,0,0|1,0,0]=3 14137 B14R0.88 CC(C)(O)CCCCCSCCCC=O 62a_200011292268_100010402123 [0,2,0,0,0,0|1,0,0]=3 14138 B14R0.88 CC(C)(O)CCCSCCCCCC=O 62a_100000139337_100009888830 [0,2,0,0,0,0|1,0,0]=3 14139 B14R0.88 CC(C)(O)CCCSCCCCCC=O 62a_100009888830_100000139337 [0,2,0,0,0,0|1,0,0]=3 14140 B14R0.88 CCCCCCCCCCNS(=O)(=O)C 40a_100000684558_100000738038 [0,2,0,0,0,0|2,0,0]=4 14141 B14R0.88 CCCCCCCCCNCS(=O)(=O)[O-] 34a_100000212291_100009817235 [0,2,0,0,0,0|2,0,0]=4 14142 B14R0.88 CCCCCCCCCOCS(=O)(=O)[O-] 34a_100000210712_100009817235 [0,2,0,0,0,0|2,0,0]=4 14143 B14R0.88 CCCCCCCCCSCS(=O)(=O)N 62a_100000741382_100000210670 [0,2,0,0,0,0|2,0,0]=4 14144 B14R0.88 CCCCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210670 [0,2,0,0,0,0|2,0,0]=4 14145 B14R0.88 CCCCCCCCNCCS(=O)(=O)C 2230a_100000229939_100000731031 [0,2,0,0,0,0|2,0,0]=4 14146 B14R0.88 CCCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210759 [0,2,0,0,0,0|2,0,0]=4 14147 B14R0.88 CCCCCCCCNCCS(=O)(=O)C 34a_100000229939_100000731031 [0,2,0,0,0,0|2,0,0]=4 14148 B14R0.88 CCCCCCCCNCCS(=O)(=O)C 34a_100000740961_100000210759 [0,2,0,0,0,0|2,0,0]=4 14149 B14R0.88 CCCCCCCCNCCS(=O)(=O)N 2230a_100000738205_100000210759 [0,2,0,0,0,0|2,0,0]=4 14150 B14R0.88 CCCCCCCCNCCS(=O)(=O)N 34a_100000738205_100000210759 [0,2,0,0,0,0|2,0,0]=4 14151 B14R0.88 CCCCCCCCNCCS(=O)(=O)[O-] 2230a_100000229939_100000737633 [0,2,0,0,0,0|2,0,0]=4 14152 B14R0.88 CCCCCCCCNCCS(=O)(=O)[O-] 34a_100000229939_100000762736 [0,2,0,0,0,0|2,0,0]=4 14153 B14R0.88 CCCCCCCCOCCS(=O)(=O)C 34a_100000210232_100000731031 [0,2,0,0,0,0|2,0,0]=4 14154 B14R0.88 CCCCCCCCOCCS(=O)(=O)C 34a_100000211924_100000210759 [0,2,0,0,0,0|2,0,0]=4 14155 B14R0.88 CCCCCCCCOCCS(=O)(=O)C 7a_100000210232_100000230027 [0,2,0,0,0,0|2,0,0]=4 14156 B14R0.88 CCCCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210759 [0,2,0,0,0,0|2,0,0]=4 14157 B14R0.88 CCCCCCCCOCCS(=O)(=O)N 34a_100012334274_100000210759 [0,2,0,0,0,0|2,0,0]=4 14158 B14R0.88 CCCCCCCCOCCS(=O)(=O)[O-] 34a_100000210232_100000762736 [0,2,0,0,0,0|2,0,0]=4 14159 B14R0.88 CCCCCCCCSCCS(=O)(=O)C 62a_100000210759_100000230027 [0,2,0,0,0,0|2,0,0]=4 14160 B14R0.88 CCCCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210317 [0,2,0,0,0,0|2,0,0]=4 14161 B14R0.88 CCCCCCCCSCCS(=O)(=O)[O-] 62a_100000210759_100000762736 [0,2,0,0,0,0|2,0,0]=4 14162 B14R0.88 CCCCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210317 [0,2,0,0,0,0|2,0,0]=4 14163 B14R0.88 CCCCCCCNCCCS(=O)(=O)C 2230a_100000229938_100000754308 [0,2,0,0,0,0|2,0,0]=4 14164 B14R0.88 CCCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210681 [0,2,0,0,0,0|2,0,0]=4 14165 B14R0.88 CCCCCCCNCCCS(=O)(=O)C 34a_100000742409_100000210614 [0,2,0,0,0,0|2,0,0]=4 14166 B14R0.88 CCCCCCCNCCCS(=O)(=O)N 2230a_100000229938_100000750626 [0,2,0,0,0,0|2,0,0]=4 14167 B14R0.88 CCCCCCCOCCCS(=O)(=O)C 34a_100000210272_100000754308 [0,2,0,0,0,0|2,0,0]=4 14168 B14R0.88 CCCCCCCOCCCS(=O)(=O)C 34a_100000689940_100000210614 [0,2,0,0,0,0|2,0,0]=4 14169 B14R0.88 CCCCCCCOCCCS(=O)(=O)C 7a_100000210272_100000754308 [0,2,0,0,0,0|2,0,0]=4 14170 B14R0.88 CCCCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210614 [0,2,0,0,0,0|2,0,0]=4 14171 B14R0.88 CCCCCCCOCCCS(=O)(=O)N 34a_100000210272_100000750626 [0,2,0,0,0,0|2,0,0]=4 14172 B14R0.88 CCCCCCCOCCCS(=O)(=O)N 7a_100000210272_100000750626 [0,2,0,0,0,0|2,0,0]=4 14173 B14R0.88 CCCCCCCOCCCS(=O)(=O)[O-] 34a_100000210272_100009813499 [0,2,0,0,0,0|2,0,0]=4 14174 B14R0.88 CCCCCCCSCCCS(=O)(=O)C 62a_100000210614_100000754308 [0,2,0,0,0,0|2,0,0]=4 14175 B14R0.88 CCCCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210316 [0,2,0,0,0,0|2,0,0]=4 14176 B14R0.88 CCCCCCCSCCCS(=O)(=O)N 62a_100000210614_100000750626 [0,2,0,0,0,0|2,0,0]=4 14177 B14R0.88 CCCCCCCSCCCS(=O)(=O)N 62a_100000750626_100000210316 [0,2,0,0,0,0|2,0,0]=4 14178 B14R0.88 CCCCCCCSCCCS(=O)(=O)[O-] 62a_100000210614_100009813499 [0,2,0,0,0,0|2,0,0]=4 14179 B14R0.88 CCCCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210316 [0,2,0,0,0,0|2,0,0]=4 14180 B14R0.88 CS(=O)(=O)CCCNCCCCCC=O 2230a_100000742409_100000139337 [0,2,0,0,0,0|2,0,0]=4 14181 B14R0.88 CS(=O)(=O)CCCOCCCCCC=O 7a_100000689940_100000139337 [0,2,0,0,0,0|2,0,0]=4 14182 B14R0.88 CS(=O)(=O)CCCSCCCCCC=O 62a_100000139337_100000754308 [0,2,0,0,0,0|2,0,0]=4 14183 B14R0.88 CS(=O)(=O)CCCSCCCCCC=O 62a_100000754308_100000139337 [0,2,0,0,0,0|2,0,0]=4 14184 B14R0.88 C[N+](C)(C)CCCCCSCCCC=O 62a_100009813293_200011292268 [0,2,0,0,0,0|2,0,0]=4 14185 B14R0.88 C[N+](C)(C)CCCCCSCCCC=O 62a_200011292268_100009813293 [0,2,0,0,0,0|2,0,0]=4 14186 B14R0.88 C[N+](C)(C)CCCSCCCCCC=O 62a_100000139337_100016990835 [0,2,0,0,0,0|2,0,0]=4 14187 B14R0.88 C[N+](C)(C)CCCSCCCCCC=O 62a_100016990835_100000139337 [0,2,0,0,0,0|2,0,0]=4 14188 B14R0.88 C[Si](C)(C)CCCCOCCCCC=O 7a_200009881916_100000139335 [0,2,0,0,0,0|1,1,0]=4 14189 B14R0.88 C[Si](C)(C)CCCOCCCCCC=O 7a_200011215415_100000139337 [0,2,0,0,0,0|1,1,0]=4 14190 B14R0.88 C[Si](C)(C)CCCSCCCCCC=O 62a_100000139337_100011219597 [0,2,0,0,0,0|1,1,0]=4 14191 B14R0.88 C[Si](C)(C)CCCSCCCCCC=O 62a_100011219597_100000139337 [0,2,0,0,0,0|1,1,0]=4 14192 B14R0.88 O=CCCCCCNCCCC(F)(F)F 2230a_100000727188_100000139337 [0,2,0,0,0,0|2,0,0]=4 14193 B14R0.88 O=CCCCCCSCCCC(F)(F)F 62a_100000139337_100011216173 [0,2,0,0,0,0|2,0,0]=4 14194 B14R0.88 O=CCCCCCSCCCC(F)(F)F 62a_100011216173_100000139337 [0,2,0,0,0,0|2,0,0]=4 14195 B14R0.88 O=CCCCCOCCCCC(F)(F)F 7a_100000749236_100000139335 [0,2,0,0,0,0|2,0,0]=4 14196 B14R0.88 O=CCCCCSCCCCC(F)(F)F 62a_100000139335_100000692467 [0,2,0,0,0,0|2,0,0]=4 14197 B14R0.88 O=CCCCCSCCCCC(F)(F)F 62a_100000692467_100000139335 [0,2,0,0,0,0|2,0,0]=4 14198 B14R0.88 O=CCCCSCCCCCC(F)(F)F 62a_100010187589_200011292268 [0,2,0,0,0,0|2,0,0]=4 14199 B14R0.88 O=CCCCSCCCCCC(F)(F)F 62a_200011292268_100010187589 [0,2,0,0,0,0|2,0,0]=4 14200 B14R0.153 C=C(C)COCCCCC(C)CCCC 34a_200011021034_100000748629 [0,2,0,0,0,0|2,0,0]=4 14201 B14R0.153 C=C(C)COCCCCC(C)CCCC 7a_200011021034_100000748629 [0,2,0,0,0,0|2,0,0]=4 14202 B14R0.153 C=C(F)COCCCCC(C)CCCC 34a_200011021034_100009893438 [0,2,0,0,0,0|2,0,0]=4 14203 B14R0.153 C=C(F)COCCCCC(C)CCCC 7a_200011021034_100000042424 [0,2,0,0,0,0|2,0,0]=4 14204 B14R0.153 C=CCCC(=O)CCCCCCC(C)C 1458a_100000040743_100000754431 [0,2,0,0,0,0|1,0,1]=4 14205 B14R0.153 C=CCCC(C)NCCCCCC(C)C 270004a_100011290863_100000762624 [0,2,0,0,0,0|2,0,0]=4 14206 B14R0.153 C=CCCC(C)OCCCCCC(C)C 34a_100000765329_100000210682 [0,2,0,0,0,0|2,0,0]=4 14207 B14R0.153 C=CCCC(C)OCCCCCC(C)C 7a_100000765329_100000210682 [0,2,0,0,0,0|2,0,0]=4 14208 B14R0.153 CC(=O)CCCCNC[C@H](C)CCCO 34a_100160569302_100009817362 [0,2,0,0,0,0|2,0,0]=4 14209 B14R0.153 CC(CCCCl)OCCCCCC(=O)N 34a_200000718107_100009817443 [0,2,0,0,0,0|2,0,0]=4 14210 B14R0.153 CC(CCCCl)OCCCCCC(=O)N 7a_200000718107_100009817443 [0,2,0,0,0,0|2,0,0]=4 14211 B14R0.153 CCCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210211 [0,2,0,0,0,0|1,0,1]=4 14212 B14R0.153 CCCCC(=O)CCCCCOC(=O)C 1458a_100000210183_100000033007 [0,2,0,0,0,0|1,0,1]=4 14213 B14R0.153 CCCCC(C)CCCCOCC(=O)N 34a_200011021034_100000187820 [0,2,0,0,0,0|1,0,0]=3 14214 B14R0.153 CCCCC(C)CCCCOCC(=O)N 7a_200011021034_100000187820 [0,2,0,0,0,0|1,0,0]=3 14215 B14R0.153 CCCCC(C)CCCCOCC(=O)[O-] 34a_200011021034_100020667443 [0,2,0,0,0,0|1,0,0]=3 14216 B14R0.153 CCCCC(C)CCCCOC[N+](=O)[O-] 34a_200011021034_100000761209 [0,2,0,0,0,0|2,0,0]=4 14217 B14R0.153 CCCCC(C)COCCCCC(=O)C 34a_100011995851_100009817362 [0,2,0,0,0,0|1,0,0]=3 14218 B14R0.153 CCCCC(C)COCCCCC(=O)C 7a_100011995851_100000735457 [0,2,0,0,0,0|1,0,0]=3 14219 B14R0.153 CCCCC(C)COCCCOC(=O)C 34a_100011995851_100000042594 [0,2,0,0,0,0|2,0,0]=4 14220 B14R0.153 CCCCC(C)COCCCOC(=O)C 7a_100011995851_100000042594 [0,2,0,0,0,0|2,0,0]=4 14221 B14R0.153 CCCCC(C)COCCCSC(=O)C 34a_100011995851_100000038929 [0,2,0,0,0,0|2,0,0]=4 14222 B14R0.153 CCCCC(C)COCCCSC(=O)C 7a_100011995851_100000038929 [0,2,0,0,0,0|2,0,0]=4 14223 B14R0.153 CCCCC(C)COCCOCC(=O)N 34a_100011995851_100000076697 [0,2,0,0,0,0|2,0,0]=4 14224 B14R0.153 CCCCC(C)COCCOCC(=O)N 7a_100011995851_100000076697 [0,2,0,0,0,0|2,0,0]=4 14225 B14R0.153 CCCCC(C)NCCCCCC(=O)N 2230a_100000126638_100009817443 [0,2,0,0,0,0|1,0,0]=3 14226 B14R0.153 CCCCC(C)NCCCCNC(=O)C 2230a_200011368371_200011215066 [0,2,0,0,0,0|2,0,0]=4 14227 B14R0.153 CCCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000210087 [0,2,0,0,0,0|2,0,0]=4 14228 B14R0.153 CCCCC(C)NCCCCNC(=O)C 34a_200011368371_200011215066 [0,2,0,0,0,0|2,0,0]=4 14229 B14R0.153 CCCCC(C)NCCCCSC(=O)C 2230a_100000126638_200010402107 [0,2,0,0,0,0|2,0,0]=4 14230 B14R0.153 CCCCC(C)OCCCCCC(=O)N 34a_100000123541_200011215066 [0,2,0,0,0,0|1,0,0]=3 14231 B14R0.153 CCCCC(C)OCCCCCC(=O)N 34a_100000687866_100009817443 [0,2,0,0,0,0|1,0,0]=3 14232 B14R0.153 CCCCC(C)OCCCCCC(=O)N 7a_100000123541_200011215066 [0,2,0,0,0,0|1,0,0]=3 14233 B14R0.153 CCCCC(C)OCCCCCC(=O)N 7a_100000687866_100009817443 [0,2,0,0,0,0|1,0,0]=3 14234 B14R0.153 CCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_200011215066 [0,2,0,0,0,0|1,0,0]=3 14235 B14R0.153 CCCCC(C)OCCCCOC(=O)C 34a_100000073216_200011215066 [0,2,0,0,0,0|2,0,0]=4 14236 B14R0.153 CCCCC(C)OCCCCOC(=O)C 34a_100000687866_100000033659 [0,2,0,0,0,0|2,0,0]=4 14237 B14R0.153 CCCCC(C)OCCCCOC(=O)C 7a_100000073216_200011215066 [0,2,0,0,0,0|2,0,0]=4 14238 B14R0.153 CCCCC(C)OCCCCOC(=O)C 7a_100000687866_100000033659 [0,2,0,0,0,0|2,0,0]=4 14239 B14R0.153 CCCCC(C)OCCCCSC(=O)C 34a_100000687866_200010402107 [0,2,0,0,0,0|2,0,0]=4 14240 B14R0.153 CCCCC(C)OCCCCSC(=O)C 7a_100000687866_200010402107 [0,2,0,0,0,0|2,0,0]=4 14241 B14R0.153 CCCCC(C)SCCCCCC(=O)N 62a_100009817443_200011215066 [0,2,0,0,0,0|1,0,0]=3 14242 B14R0.153 CCCCC(C)SCCCCCC(=O)N 62a_200011215066_100009817443 [0,2,0,0,0,0|1,0,0]=3 14243 B14R0.153 CCCCC(C)SCCCCOC(=O)C 62a_100000033659_200011215066 [0,2,0,0,0,0|2,0,0]=4 14244 B14R0.153 CCCCC(C)SCCCCOC(=O)C 62a_200011215066_100000033659 [0,2,0,0,0,0|2,0,0]=4 14245 B14R0.153 CCCCC(C)SCCCCSC(=O)C 62a_200010402107_200011215066 [0,2,0,0,0,0|2,0,0]=4 14246 B14R0.153 CCCCC(C)SCCCCSC(=O)C 62a_200011215066_200010402107 [0,2,0,0,0,0|2,0,0]=4 14247 B14R0.153 CCCCN(C)CCCCCOC(=O)C 2230a_100000207549_100009813381 [0,2,0,0,0,0|2,0,0]=4 14248 B14R0.153 CCCCN(C)CCCCCOC(=O)C 269982a_100000207549_100000033007 [0,2,0,0,0,0|2,0,0]=4 14249 B14R0.153 CCCC[C@H](N)COCCCCC(=O)C 34a_100011934283_100009817362 [0,2,0,0,0,0|1,0,0]=3 14250 B14R0.153 CCCC[C@H](N)COCCCOC(=O)C 34a_100011934283_100000042594 [0,2,0,0,0,0|2,0,0]=4 14251 B14R0.153 CCCC[C@H](N)COCCCSC(=O)C 34a_100011934283_100000038929 [0,2,0,0,0,0|2,0,0]=4 14252 B14R0.153 CCCC[C@H](N)COCCOCC(=O)N 34a_100011934283_100000076697 [0,2,0,0,0,0|2,0,0]=4 14253 B14R0.153 CCCOC(C)CNCCCCC(=O)C 34a_100015185124_100009817362 [0,2,0,0,0,0|2,0,0]=4 14254 B14R0.153 CCOCC(C)OCCCCCC(=O)N 34a_100000718985_100009817443 [0,2,0,0,0,0|2,0,0]=4 14255 B14R0.153 CCOCC(C)OCCCCCC(=O)N 7a_100000718985_100009817443 [0,2,0,0,0,0|2,0,0]=4 14256 B14R0.153 CCOCC(O)CNCCCCC(=O)C 34a_102515437182_100009817362 [0,2,0,0,0,0|2,0,0]=4 14257 B14R0.153 CSCC[C@H](N)COCCCCC(=O)C 34a_100011827619_100009817362 [0,2,0,0,0,0|2,0,0]=4 14258 B14R0.231 C=CCCCC(=O)CCCCCC(C)C 1458a_100000766313_100000757094 [0,2,0,0,0,0|1,0,1]=4 14259 B14R0.231 C=CCCCC(=O)CCCCCC(C)C 1458a_100000766728_100000210682 [0,2,0,0,0,0|1,0,1]=4 14260 B14R0.231 CC(=O)CCCOC[C@@H](N)CCCCN 34a_100016993712_100000685027 [0,2,0,0,0,0|2,0,0]=4 14261 B14R0.231 CCCCCC(=O)CCCCCC(=O)N 1458a_100000212188_100009817443 [0,2,0,0,0,0|0,0,1]=3 14262 B14R0.231 CCCCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210326 [0,2,0,0,0,0|1,0,1]=4 14263 B14R0.231 CCCCCC(=O)CCCCOC(=O)C 1458a_100000212188_100000033659 [0,2,0,0,0,0|1,0,1]=4 14264 B14R0.231 CCCCCC(=O)CCCCSC(=O)C 1458a_100000212188_200010402107 [0,2,0,0,0,0|1,0,1]=4 14265 B14R0.231 CCCCCC(=O)CNCCCC(=O)N 34a_100000739312_200012276598 [0,2,0,0,0,0|1,0,1]=4 14266 B14R0.231 CCCCCC(=O)COCCCC(=O)C 34a_100000759063_200012276598 [0,2,0,0,0,0|1,0,1]=4 14267 B14R0.231 CCCCCC(=O)COCCCC(=O)C 7a_100000759063_200012276598 [0,2,0,0,0,0|1,0,1]=4 14268 B14R0.231 CCCCCC(=O)CSCCCC(=O)C 62a_100011215641_200012276598 [0,2,0,0,0,0|1,0,1]=4 14269 B14R0.231 CCCCCC(=O)CSCCCC(=O)C 62a_200012276598_100011215641 [0,2,0,0,0,0|1,0,1]=4 14270 B14R0.231 CCCCCC(=O)CSCCCC(=O)N 62a_100102525003_200012276598 [0,2,0,0,0,0|1,0,1]=4 14271 B14R0.231 CCCCCC(=O)CSCCCC(=O)N 62a_200012276598_100102525003 [0,2,0,0,0,0|1,0,1]=4 14272 B14R0.231 CCCCCC(=O)NCCCCC(=O)N 11a_100000696515_100000212188 [0,2,0,0,0,0|1,0,1]=4 14273 B14R0.231 CCCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000212188 [0,2,0,0,0,0|1,0,1]=4 14274 B14R0.231 CCCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000212188 [0,2,0,0,0,0|1,0,1]=4 14275 B14R0.231 CCCCCC(=O)NCCCCC(=O)N 527a_100000696515_100000212188 [0,2,0,0,0,0|1,0,1]=4 14276 B14R0.231 CCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000211708 [0,2,0,0,0,0|1,0,0]=3 14277 B14R0.231 CCCCCC(C)NCCCCC(=O)N 34a_100000696515_200011218191 [0,2,0,0,0,0|1,0,0]=3 14278 B14R0.231 CCCCCC(C)NCCCNC(=O)C 270004a_100000736810_100000211708 [0,2,0,0,0,0|2,0,0]=4 14279 B14R0.231 CCCCCC(C)NCCCNC(=O)C 34a_100000736810_200011218191 [0,2,0,0,0,0|2,0,0]=4 14280 B14R0.231 CCCCCC(C)NCCCSC(=O)C 2230a_100000211957_100000038929 [0,2,0,0,0,0|2,0,0]=4 14281 B14R0.231 CCCCCC(C)NCCOCC(=O)N 2230a_100000211957_100000076697 [0,2,0,0,0,0|2,0,0]=4 14282 B14R0.231 CCCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011218191 [0,2,0,0,0,0|2,0,0]=4 14283 B14R0.231 CCCCCC(C)OCCCCC(=O)C 34a_100011215632_100009817362 [0,2,0,0,0,0|1,0,0]=3 14284 B14R0.231 CCCCCC(C)OCCCCC(=O)C 7a_100011215632_100000735457 [0,2,0,0,0,0|1,0,0]=3 14285 B14R0.231 CCCCCC(C)OCCCCC(=O)N 34a_100012022536_200011218191 [0,2,0,0,0,0|1,0,0]=3 14286 B14R0.231 CCCCCC(C)OCCCCC(=O)N 7a_100012022536_200011218191 [0,2,0,0,0,0|1,0,0]=3 14287 B14R0.231 CCCCCC(C)OCCCC[N+](=O)[O-] 34a_200015379883_200011218191 [0,2,0,0,0,0|2,0,0]=4 14288 B14R0.231 CCCCCC(C)OCCCC[N+](=O)[O-] 7a_200015379883_200011218191 [0,2,0,0,0,0|2,0,0]=4 14289 B14R0.231 CCCCCC(C)OCCCNC(=O)C 34a_100000752032_200011218191 [0,2,0,0,0,0|2,0,0]=4 14290 B14R0.231 CCCCCC(C)OCCCOC(=O)C 34a_100011215632_100000042594 [0,2,0,0,0,0|2,0,0]=4 14291 B14R0.231 CCCCCC(C)OCCCOC(=O)C 7a_100011215632_100000042594 [0,2,0,0,0,0|2,0,0]=4 14292 B14R0.231 CCCCCC(C)OCCCSC(=O)C 34a_100011215632_100000038929 [0,2,0,0,0,0|2,0,0]=4 14293 B14R0.231 CCCCCC(C)OCCCSC(=O)C 7a_100011215632_100000038929 [0,2,0,0,0,0|2,0,0]=4 14294 B14R0.231 CCCCCC(C)OCCOCC(=O)N 34a_100011215632_100000076697 [0,2,0,0,0,0|2,0,0]=4 14295 B14R0.231 CCCCCC(C)OCCOCC(=O)N 7a_100011215632_100000076697 [0,2,0,0,0,0|2,0,0]=4 14296 B14R0.231 CCCCCC(C)SCCCCC(=O)C 62a_100000735457_200011218191 [0,2,0,0,0,0|1,0,0]=3 14297 B14R0.231 CCCCCC(C)SCCCCC(=O)C 62a_200011218191_100000735457 [0,2,0,0,0,0|1,0,0]=3 14298 B14R0.231 CCCCCC(C)SCCCOC(=O)C 62a_100000042594_200011218191 [0,2,0,0,0,0|2,0,0]=4 14299 B14R0.231 CCCCCC(C)SCCCOC(=O)C 62a_200011218191_100000042594 [0,2,0,0,0,0|2,0,0]=4 14300 B14R0.231 CCCCCC(C)SCCCSC(=O)C 62a_100000038929_200011218191 [0,2,0,0,0,0|2,0,0]=4 14301 B14R0.231 CCCCCC(C)SCCCSC(=O)C 62a_200011218191_100000038929 [0,2,0,0,0,0|2,0,0]=4 14302 B14R0.231 CCCCCC(C)SCCOCC(=O)N 62a_100000076697_200011218191 [0,2,0,0,0,0|2,0,0]=4 14303 B14R0.231 CCCCCC(C)SCCOCC(=O)N 62a_200011218191_100000076697 [0,2,0,0,0,0|2,0,0]=4 14304 B14R0.231 CCCCCN(C)CCCCCC(=O)N 2230a_100000223495_100009817443 [0,2,0,0,0,0|1,0,0]=3 14305 B14R0.231 CCCCCN(C)CCCCCC(=O)N 269982a_100000223495_100009817443 [0,2,0,0,0,0|1,0,0]=3 14306 B14R0.231 CCCCCN(C)CCCCOC(=O)C 269982a_100000223495_100000033659 [0,2,0,0,0,0|2,0,0]=4 14307 B14R0.231 CCCCCN(C)CCCCSC(=O)C 2230a_100000223495_200010402107 [0,2,0,0,0,0|2,0,0]=4 14308 B14R0.231 CCCCCN(C)CCCCSC(=O)C 269982a_100000223495_200010402107 [0,2,0,0,0,0|2,0,0]=4 14309 B14R0.231 CCCOCC(=O)CCCCCC(=O)N 1458a_100000745993_100009817443 [0,2,0,0,0,0|1,0,1]=4 14310 B14R0.231 CCCSCC(=O)CCCCCC(=O)N 1458a_100000217233_100009817443 [0,2,0,0,0,0|1,0,1]=4 14311 B14R0.231 CCCSCC(C)NCCCCC(=O)N 270004a_100000696515_100011343953 [0,2,0,0,0,0|2,0,0]=4 14312 B14R0.231 CCOCCC(=O)CCCCCC(=O)N 1458a_100000749530_100009817443 [0,2,0,0,0,0|1,0,1]=4 14313 B14R0.231 CCOCCC(C)NCCCCC(=O)N 270004a_100000696515_200011216536 [0,2,0,0,0,0|2,0,0]=4 14314 B14R0.231 CCSCCC(=O)CCCCCC(=O)N 1458a_100000230768_100009817443 [0,2,0,0,0,0|1,0,1]=4 14315 B14R0.231 CN(CCCCO)CCCCCC(=O)N 2230a_100000717598_100009817443 [0,2,0,0,0,0|2,0,0]=4 14316 B14R0.231 CN(CCCCO)CCCCCC(=O)N 269982a_100000717598_100009817443 [0,2,0,0,0,0|2,0,0]=4 14317 B14R0.231 COCCCC(=O)CCCCCC(=O)N 1458a_100000741012_100009817443 [0,2,0,0,0,0|1,0,1]=4 14318 B14R0.231 COCCCC(C)OCCCCC(=O)C 34a_200011539412_100009817362 [0,2,0,0,0,0|2,0,0]=4 14319 B14R0.231 COCCCC(C)OCCCCC(=O)C 7a_200011539412_100000735457 [0,2,0,0,0,0|2,0,0]=4 14320 B14R0.231 COCCCN(C)CCCCCC(=O)N 2230a_100000224831_100009817443 [0,2,0,0,0,0|2,0,0]=4 14321 B14R0.231 COCCCN(C)CCCCCC(=O)N 269982a_100000224831_100009817443 [0,2,0,0,0,0|2,0,0]=4 14322 B14R0.231 CSCCCC(=O)CCCCCC(=O)N 1458a_100000173376_100009817443 [0,2,0,0,0,0|1,0,1]=4 14323 B14R0.231 CSCCCC(C)NCCCCC(=O)N 270004a_100000696515_100011399439 [0,2,0,0,0,0|2,0,0]=4 14324 B14R0.231 NC(=O)CCCCCC(=O)CCCCO 1458a_100000695505_100009817443 [0,2,0,0,0,0|1,0,1]=4 14325 B14R0.231 NCCCC[C@H](N)COCCCC(=O)N 34a_100016993712_100102525003 [0,2,0,0,0,0|2,0,0]=4 14326 B14R0.305 C=C(C)CCOCCCCCC(C)CC 7a_200000035636_100000730704 [0,2,0,0,0,0|2,0,0]=4 14327 B14R0.305 C=CC(O)CNCCCCCCC(C)C 2230a_100000211014_100000730141 [0,2,0,0,0,0|2,0,0]=4 14328 B14R0.305 C=CC(O)CNCCCCCCC(C)C 34a_100000211014_100000730141 [0,2,0,0,0,0|2,0,0]=4 14329 B14R0.305 CC(=O)CCCCOCCC[C@@H](C)CN 34a_100160569302_100009817362 [0,2,0,0,0,0|2,0,0]=4 14330 B14R0.305 CC(CO)CCNCCCCCC(=O)N 2230a_106354213184_100009817443 [0,2,0,0,0,0|2,0,0]=4 14331 B14R0.305 CC(CO)CCNCCCCCC(=O)N 34a_106354213184_100009817443 [0,2,0,0,0,0|2,0,0]=4 14332 B14R0.305 CCC(C)CCCCCOCCC(=O)C 7a_200000035636_100000053229 [0,2,0,0,0,0|1,0,0]=3 14333 B14R0.305 CCC(C)CCCCCOCCC(=O)N 7a_200000035636_100000744528 [0,2,0,0,0,0|1,0,0]=3 14334 B14R0.305 CCC(C)CCCOCCCCC(=O)C 7a_100011216074_100000735457 [0,2,0,0,0,0|1,0,0]=3 14335 B14R0.305 CCC(C)CCCOCCCOC(=O)C 7a_100011216074_100000042594 [0,2,0,0,0,0|2,0,0]=4 14336 B14R0.305 CCC(C)CCCOCCCSC(=O)C 7a_100011216074_100000038929 [0,2,0,0,0,0|2,0,0]=4 14337 B14R0.305 CCC(C)CCCOCCOCC(=O)N 7a_100011216074_100000076697 [0,2,0,0,0,0|2,0,0]=4 14338 B14R0.305 CCC(C)CCNCCCCCC(=O)N 2230a_100020591266_100009817443 [0,2,0,0,0,0|1,0,0]=3 14339 B14R0.305 CCC(C)CCNCCCCSC(=O)C 2230a_100020591266_200010402107 [0,2,0,0,0,0|2,0,0]=4 14340 B14R0.305 CCC(C)CCOCCCCCC(=O)N 7a_100011215188_100009817443 [0,2,0,0,0,0|1,0,0]=3 14341 B14R0.305 CCC(C)CCOCCCCOC(=O)C 7a_100011215188_100000033659 [0,2,0,0,0,0|2,0,0]=4 14342 B14R0.305 CCC(C)CCOCCCCSC(=O)C 7a_100011215188_200010402107 [0,2,0,0,0,0|2,0,0]=4 14343 B14R0.305 CCC(C)CNCCCCCNC(=O)C 2230a_200012022750_100000748023 [0,2,0,0,0,0|2,0,0]=4 14344 B14R0.305 CCC(C)CNCCCCCNC(=O)C 270004a_200012022750_100000243153 [0,2,0,0,0,0|2,0,0]=4 14345 B14R0.305 CCC(C)CNCCCCCNC(=O)C 34a_200012022750_100000748023 [0,2,0,0,0,0|2,0,0]=4 14346 B14R0.305 CCC(C)CNCCCCCOC(=O)C 2230a_100020588543_100009813381 [0,2,0,0,0,0|2,0,0]=4 14347 B14R0.305 CCC(C)CSCCCCCOC(=O)C 62a_100000033007_100000748023 [0,2,0,0,0,0|2,0,0]=4 14348 B14R0.305 CCC(C)CSCCCCCOC(=O)C 62a_100000748023_100000033007 [0,2,0,0,0,0|2,0,0]=4 14349 B14R0.305 CCC(C)NCCCCCCNC(=O)C 2230a_200011996284_100000758301 [0,2,0,0,0,0|2,0,0]=4 14350 B14R0.305 CCC(C)NCCCCCCNC(=O)C 34a_200011996284_100011215416 [0,2,0,0,0,0|2,0,0]=4 14351 B14R0.305 CCC(O)CNCCCCCNC(=O)C 2230a_200012022750_100011218378 [0,2,0,0,0,0|2,0,0]=4 14352 B14R0.305 CCC(O)CNCCCCCNC(=O)C 34a_200012022750_100011218378 [0,2,0,0,0,0|2,0,0]=4 14353 B14R0.305 CCC(O)CNCCCCCOC(=O)C 2230a_100011218483_100009813381 [0,2,0,0,0,0|2,0,0]=4 14354 B14R0.305 CCC(O)CSCCCCCOC(=O)C 62a_100000033007_100011218378 [0,2,0,0,0,0|2,0,0]=4 14355 B14R0.305 CCC(O)CSCCCCCOC(=O)C 62a_100011218378_100000033007 [0,2,0,0,0,0|2,0,0]=4 14356 B14R0.305 CCN(C)CCCOCCCCC(=O)N 7a_100012022536_100015186262 [0,2,0,0,0,0|2,0,0]=4 14357 B14R0.305 CCN(C)CCCSCCCCC(=O)C 62a_100000735457_100015186262 [0,2,0,0,0,0|2,0,0]=4 14358 B14R0.305 CC[C@H](C)CNCCCCCNC(=O)C 2230a_200012022750_100009816398 [0,2,0,0,0,0|2,0,0]=4 14359 B14R0.305 CC[C@H](C)CNCCCCCNC(=O)C 34a_200012022750_100009816398 [0,2,0,0,0,0|2,0,0]=4 14360 B14R0.305 CC[C@H](C)COCCCCCOC(=O)C 7a_100009816381_100000033007 [0,2,0,0,0,0|2,0,0]=4 14361 B14R0.305 CC[C@H](C)CSCCCCCOC(=O)C 62a_100000033007_100009816398 [0,2,0,0,0,0|2,0,0]=4 14362 B14R0.305 CC[C@H](C)CSCCCCCOC(=O)C 62a_100009816398_100000033007 [0,2,0,0,0,0|2,0,0]=4 14363 B14R0.305 COC(=O)CCCCCCCCC(=O)C 1458a_100000036616_200000210301 [0,2,0,0,0,0|1,0,1]=4 14364 B14R0.305 COC(=O)CCCCCCCCC(=O)C 1458a_100000070787_100010282707 [0,2,0,0,0,0|1,0,1]=4 14365 B14R0.305 COC(=O)CCCCCCCCC(=O)[13CH3] 1458a_100000036616_200025704644 [0,2,0,0,0,0|1,0,1]=4 14366 B14R0.305 COC(C)CCOCCCCCC(=O)N 7a_100000764861_100009817443 [0,2,0,0,0,0|2,0,0]=4 14367 B14R0.337 C#CC(=O)CCCCCCCCCC=C 1458a_100000211873_100009814027 [0,2,0,0,0,0|0,0,2]=4 14368 B14R0.337 C#CC(=O)CCCCCCCCCCC 1458a_100000211873_100011215454 [0,2,0,0,0,0|0,0,0]=2 14369 B14R0.337 C#CC(=O)CCCCCCCCCCO 1458a_100000211873_100009813290 [0,2,0,0,0,0|1,0,0]=3 14370 B14R0.337 C#CC(C)NCCCCCCCCC=C 2230a_100000707721_100011933949 [0,2,0,0,0,0|2,0,0]=4 14371 B14R0.337 C#CC(C)NCCCCCCCCC=C 34a_100000707721_100011933949 [0,2,0,0,0,0|2,0,0]=4 14372 B14R0.337 C#CC(C)NCCCCCCCCCC 2230a_100000707721_100000210320 [0,2,0,0,0,0|1,0,1]=4 14373 B14R0.337 C#CC(C)NCCCCCCCCCC 34a_100000684558_200000035995 [0,2,0,0,0,0|1,0,1]=4 14374 B14R0.337 C#CC(C)NCCCCCCCCCC 34a_100000707721_100000210320 [0,2,0,0,0,0|1,0,1]=4 14375 B14R0.337 C#CC(C)OCCCCCCCCC=C 34a_100011215194_200000035995 [0,2,0,0,0,0|2,0,0]=4 14376 B14R0.337 C#CC(C)OCCCCCCCCCC 34a_100000210711_200000035995 [0,2,0,0,0,0|1,0,1]=4 14377 B14R0.337 C#CC(C)SCCCCCCCCC=C 62a_200000035995_100011933949 [0,2,0,0,0,0|2,0,0]=4 14378 B14R0.337 C#CC(C)SCCCCCCCCCC 62a_200000035995_100000210320 [0,2,0,0,0,0|1,0,1]=4 14379 B14R0.337 C#CC(O)CCCCCNCCCCC 2230a_100000209983_200010408556 [0,2,0,0,0,0|1,0,1]=4 14380 B14R0.337 C#CC(O)CCCCCOCCCCC 34a_100000210253_200010408556 [0,2,0,0,0,0|1,0,1]=4 14381 B14R0.337 C#CC(O)CCCCCOCCCCC 7a_100000210253_200010408556 [0,2,0,0,0,0|1,0,1]=4 14382 B14R0.337 C#CC(O)CCCCCSCCCC=O 62a_200010408556_200011292268 [0,2,0,0,0,0|0,0,2]=4 14383 B14R0.337 C#CC(O)CCCCCSCCCC=O 62a_200011292268_200010408556 [0,2,0,0,0,0|0,0,2]=4 14384 B14R0.337 C#CC(O)CCCCCSCCCCC 62a_100000210326_200010408556 [0,2,0,0,0,0|1,0,1]=4 14385 B14R0.337 C#CC(O)CCCCCSCCCCC 62a_200010408556_100000210326 [0,2,0,0,0,0|1,0,1]=4 14386 B14R0.337 C#CCCCCCCCCOC(C)CC 34a_100000065265_100011215416 [0,2,0,0,0,0|1,0,1]=4 14387 B14R0.337 C#CCCCCCCCCOC(C)CC 7a_100000065265_100000758301 [0,2,0,0,0,0|1,0,1]=4 14388 B14R0.337 C#CCCCCCCCNCC(C)CC 2230a_100020588543_100153394163 [0,2,0,0,0,0|1,0,1]=4 14389 B14R0.337 C#CCCCCCCCNCC(O)CC 2230a_100011218483_100153394163 [0,2,0,0,0,0|1,0,1]=4 14390 B14R0.337 C#CCCCCCCCOCC(C)CC 34a_100000054614_100000748023 [0,2,0,0,0,0|1,0,1]=4 14391 B14R0.337 C#CCCCCCCCOCC(C)CC 7a_100000054614_100000748023 [0,2,0,0,0,0|1,0,1]=4 14392 B14R0.337 C#CCCCCCCCOCC(O)CC 34a_100000054614_100011218378 [0,2,0,0,0,0|1,0,1]=4 14393 B14R0.337 C#CCCCCCCCOCC(O)CC 7a_100000054614_100011218378 [0,2,0,0,0,0|1,0,1]=4 14394 B14R0.337 C#CCCCCCCCOC[C@@H](C)CC 34a_100000054614_100009816398 [0,2,0,0,0,0|1,0,1]=4 14395 B14R0.337 C#CCCCCCCCOC[C@@H](C)CC 7a_100000054614_100009816398 [0,2,0,0,0,0|1,0,1]=4 14396 B14R0.337 C#CCCCCCCCOC[C@@H](C)CC 7a_100009816381_100153394163 [0,2,0,0,0,0|1,0,1]=4 14397 B14R0.337 C#CCCCCCCCSCC(C)CC 62a_100000748023_100153394163 [0,2,0,0,0,0|1,0,1]=4 14398 B14R0.337 C#CCCCCCCCSCC(C)CC 62a_100153394163_100000748023 [0,2,0,0,0,0|1,0,1]=4 14399 B14R0.337 C#CCCCCCCCSCC(O)CC 62a_100011218378_100153394163 [0,2,0,0,0,0|1,0,1]=4 14400 B14R0.337 C#CCCCCCCCSCC(O)CC 62a_100153394163_100011218378 [0,2,0,0,0,0|1,0,1]=4 14401 B14R0.337 C#CCCCCCCCSC[C@@H](C)CC 62a_100009816398_100153394163 [0,2,0,0,0,0|1,0,1]=4 14402 B14R0.337 C#CCCCCCCCSC[C@@H](C)CC 62a_100153394163_100009816398 [0,2,0,0,0,0|1,0,1]=4 14403 B14R0.337 C#CCCCCCCNCCC(C)CC 2230a_100020591266_100012276617 [0,2,0,0,0,0|1,0,1]=4 14404 B14R0.337 C#CCCCCCCOCCC(C)CC 7a_100011215188_100012276617 [0,2,0,0,0,0|1,0,1]=4 14405 B14R0.337 C#CCCCCCOCCCC(C)CC 7a_100011216074_100012094781 [0,2,0,0,0,0|1,0,1]=4 14406 B14R0.337 C#CCCCOCCCCCC(C)CC 7a_200000035636_100011215417 [0,2,0,0,0,0|1,0,1]=4 14407 B14R0.337 C#C[C@@H](C)OCCCCCCCCC=C 34a_100009815206_100011933949 [0,2,0,0,0,0|2,0,0]=4 14408 B14R0.337 C#C[C@@H](C)OCCCCCCCCC=C 7a_100009815206_100011933949 [0,2,0,0,0,0|2,0,0]=4 14409 B14R0.337 C#C[C@@H](C)OCCCCCCCCCC 34a_100009815206_100000210320 [0,2,0,0,0,0|1,0,1]=4 14410 B14R0.337 C#C[C@@H](C)OCCCCCCCCCC 7a_100009815206_100000210320 [0,2,0,0,0,0|1,0,1]=4 14411 B14R0.337 C=C(C#N)CNCCCCCCCCC 2230a_100000212291_100000694840 [0,2,0,0,0,0|2,0,0]=4 14412 B14R0.337 C=C(C#N)CNCCCCCCCCC 34a_100000212291_100000694840 [0,2,0,0,0,0|2,0,0]=4 14413 B14R0.337 C=C(C#N)COCCCCCCCCC 34a_100000210712_100000694840 [0,2,0,0,0,0|2,0,0]=4 14414 B14R0.337 C=CC(=O)CCCCCCCCCCC 1458a_100000185746_100011215454 [0,2,0,0,0,0|0,0,0]=2 14415 B14R0.337 C=CC(=O)CCCCCCCCCCO 1458a_100000185746_100009813290 [0,2,0,0,0,0|1,0,0]=3 14416 B14R0.337 C=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000185746 [0,2,0,0,0,0|1,0,0]=3 14417 B14R0.337 C=CC(=O)NCCCCCCCCCC 240690a_100000684558_200121576911 [0,2,0,0,0,0|1,0,0]=3 14418 B14R0.337 C=CC(=O)NCCCCCCCCCO 240690a_100000078944_200121576911 [0,2,0,0,0,0|2,0,0]=4 14419 B14R0.337 C=CC(=O)NCCCCOCCCCC 34a_100014118770_100000718602 [0,2,0,0,0,0|2,0,0]=4 14420 B14R0.337 C=CC(=O)NCCNCCCCCCC 2230a_114873766552_100000210681 [0,2,0,0,0,0|2,0,0]=4 14421 B14R0.337 C=CC(=O)NCCOCCCCCCC 34a_100011304386_100000210614 [0,2,0,0,0,0|2,0,0]=4 14422 B14R0.337 C=CC(=O)OCCCCCCOCCC 34a_100000210258_100009894100 [0,2,0,0,0,0|2,0,0]=4 14423 B14R0.337 C=CC(=O)OCCCCCCSCCC 62a_100000210303_100009894100 [0,2,0,0,0,0|2,0,0]=4 14424 B14R0.337 C=CC(=O)OCCCCCCSCCC 62a_100009894100_100000210303 [0,2,0,0,0,0|2,0,0]=4 14425 B14R0.337 C=CC(=O)OCCCCCOCCCC 7a_200011023508_100000210211 [0,2,0,0,0,0|2,0,0]=4 14426 B14R0.337 C=CC(=O)OCCNCCCCCCC 2230a_100000229938_100009813456 [0,2,0,0,0,0|2,0,0]=4 14427 B14R0.337 C=CC(=O)OCCOCCCCCCC 34a_100000210272_100009813456 [0,2,0,0,0,0|2,0,0]=4 14428 B14R0.337 C=CC(=O)OCCOCCCCCCC 7a_100000210272_100009813456 [0,2,0,0,0,0|2,0,0]=4 14429 B14R0.337 C=CC(=O)OCCSCCCCCCC 62a_100000210614_100009813456 [0,2,0,0,0,0|2,0,0]=4 14430 B14R0.337 C=CC(=O)OCCSCCCCCCC 62a_100009813456_100000210316 [0,2,0,0,0,0|2,0,0]=4 14431 B14R0.337 C=CC(C)COCCCCCCCCC 34a_100011215527_100011214924 [0,2,0,0,0,0|1,0,0]=3 14432 B14R0.337 C=CC(C)COCCCCCCCCC 7a_100011215527_100000210328 [0,2,0,0,0,0|1,0,0]=3 14433 B14R0.337 C=CC(C)COCCCCCCCCO 34a_100011215527_100000033203 [0,2,0,0,0,0|2,0,0]=4 14434 B14R0.337 C=CC(C)COCCCCCCCCO 7a_100011215527_100000033203 [0,2,0,0,0,0|2,0,0]=4 14435 B14R0.337 C=CC(C)OCCCCCCCCCC 34a_100000695699_100000210320 [0,2,0,0,0,0|1,0,0]=3 14436 B14R0.337 C=CC(C)OCCCCCCCCCO 34a_100000695699_100009813782 [0,2,0,0,0,0|2,0,0]=4 14437 B14R0.337 C=CC(C)SCCCCCCCCCC 62a_100011215867_100000210320 [0,2,0,0,0,0|1,0,0]=3 14438 B14R0.337 C=CC(C)SCCCCCCCCCO 62a_100011215867_100009813782 [0,2,0,0,0,0|2,0,0]=4 14439 B14R0.337 C=CC(O)CNCCCCCCCCC 2230a_100000212291_100000730141 [0,2,0,0,0,0|1,0,0]=3 14440 B14R0.337 C=CC(O)CNCCCCCCCCC 34a_100000212291_100000730141 [0,2,0,0,0,0|1,0,0]=3 14441 B14R0.337 C=CC(O)CNCCCCCCCCO 2230a_102515433106_100000730141 [0,2,0,0,0,0|2,0,0]=4 14442 B14R0.337 C=CC(O)CNCCCCCCCCO 34a_102515433106_100000730141 [0,2,0,0,0,0|2,0,0]=4 14443 B14R0.337 C=CC(O)COCCCCCCCCBr 34a_100009813846_100000730141 [0,2,0,0,0,0|2,0,0]=4 14444 B14R0.337 C=CC(O)COCCCCCCCCBr 7a_100009813846_100000730141 [0,2,0,0,0,0|2,0,0]=4 14445 B14R0.337 C=CC(O)COCCCCCCCCC 34a_100000210712_100000730141 [0,2,0,0,0,0|1,0,0]=3 14446 B14R0.337 C=CC(O)COCCCCCCCCC 7a_100000210712_100000730141 [0,2,0,0,0,0|1,0,0]=3 14447 B14R0.337 C=CC(O)COCCCCCCCCCl 34a_100000033203_100000730141 [0,2,0,0,0,0|2,0,0]=4 14448 B14R0.337 C=CC(O)COCCCCCCCCCl 7a_100000033203_100000730141 [0,2,0,0,0,0|2,0,0]=4 14449 B14R0.337 C=CC(O)COCCCCCCCCN 34a_102515433106_100000730141 [0,2,0,0,0,0|2,0,0]=4 14450 B14R0.337 C=CC(O)COCCCCNCCCC 34a_200011216965_100000730141 [0,2,0,0,0,0|2,0,0]=4 14451 B14R0.337 C=CC(O)COCCCCOCCCC 34a_200000760531_100000730141 [0,2,0,0,0,0|2,0,0]=4 14452 B14R0.337 C=CC(O)COCCCCOCCCC 7a_200000760531_100000730141 [0,2,0,0,0,0|2,0,0]=4 14453 B14R0.337 C=CC(O)COCCOCCCCCC 34a_100000691444_100000730141 [0,2,0,0,0,0|2,0,0]=4 14454 B14R0.337 C=CC(O)COCCOCCCCCC 7a_100000691444_100000730141 [0,2,0,0,0,0|2,0,0]=4 14455 B14R0.337 C=CC(O)CSCCCCCCCCC 62a_100000730141_100000210670 [0,2,0,0,0,0|1,0,0]=3 14456 B14R0.337 C=CC(O)CSCCCCCCCCO 62a_100000033203_100000730141 [0,2,0,0,0,0|2,0,0]=4 14457 B14R0.337 C=CC(O)CSCCCCCCCCO 62a_100000730141_100000033203 [0,2,0,0,0,0|2,0,0]=4 14458 B14R0.337 C=CCCCCCCCCCC(=O)C=C 1458a_100000185746_100009814027 [0,2,0,0,0,0|0,0,2]=4 14459 B14R0.337 C=CCCCCCCCCCC(=O)CC 1458a_100000210414_100009814027 [0,2,0,0,0,0|1,0,0]=3 14460 B14R0.337 C=CCCCCCCCCCC(=O)CO 1458a_100000210174_100009814027 [0,2,0,0,0,0|0,0,2]=4 14461 B14R0.337 C=CCCCCCCCCCN(C)CC 2230a_100000225621_100009814027 [0,2,0,0,0,0|1,0,0]=3 14462 B14R0.337 C=CCCCCCCCCCN(C)CC 269982a_100000225621_100009814027 [0,2,0,0,0,0|1,0,0]=3 14463 B14R0.337 C=CCCCCCCCCNC(C)C#N 2230a_100000737613_100011933949 [0,2,0,0,0,0|2,0,0]=4 14464 B14R0.337 C=CCCCCCCCCNC(C)CC 2230a_100000209981_100011933949 [0,2,0,0,0,0|1,0,0]=3 14465 B14R0.337 C=CCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011933949 [0,2,0,0,0,0|2,0,0]=4 14466 B14R0.337 C=CCCCCCCCCOC(C)C#N 34a_100011218135_100011933949 [0,2,0,0,0,0|2,0,0]=4 14467 B14R0.337 C=CCCCCCCCCOC(C)C#N 7a_100011215194_100000703298 [0,2,0,0,0,0|2,0,0]=4 14468 B14R0.337 C=CCCCCCCCCOC(C)C=C 34a_100000695699_100011933949 [0,2,0,0,0,0|2,0,0]=4 14469 B14R0.337 C=CCCCCCCCCOC(C)CC 34a_100011215194_100011215416 [0,2,0,0,0,0|1,0,0]=3 14470 B14R0.337 C=CCCCCCCCCOC(C)CC 7a_100000210228_100011933949 [0,2,0,0,0,0|1,0,0]=3 14471 B14R0.337 C=CCCCCCCCCOC(C)CC 7a_100011215194_100000758301 [0,2,0,0,0,0|1,0,0]=3 14472 B14R0.337 C=CCCCCCCCCOC(C)CF 34a_100016041109_100011933949 [0,2,0,0,0,0|2,0,0]=4 14473 B14R0.337 C=CCCCCCCCCOC(C)CF 7a_100016041109_100011933949 [0,2,0,0,0,0|2,0,0]=4 14474 B14R0.337 C=CCCCCCCCCOC(C)CN 34a_100000210904_100011933949 [0,2,0,0,0,0|2,0,0]=4 14475 B14R0.337 C=CCCCCCCCCOC(C)CO 34a_100011215194_100012180447 [0,2,0,0,0,0|2,0,0]=4 14476 B14R0.337 C=CCCCCCCCCOC(C)CO 7a_100011215194_100012180447 [0,2,0,0,0,0|2,0,0]=4 14477 B14R0.337 C=CCCCCCCCCSC(C)C#N 62a_100000703298_100011933949 [0,2,0,0,0,0|2,0,0]=4 14478 B14R0.337 C=CCCCCCCCCSC(C)C#N 62a_100011933949_100000703298 [0,2,0,0,0,0|2,0,0]=4 14479 B14R0.337 C=CCCCCCCCCSC(C)C=C 62a_100011215867_100011933949 [0,2,0,0,0,0|2,0,0]=4 14480 B14R0.337 C=CCCCCCCCCSC(C)CC 62a_100000758301_100011933949 [0,2,0,0,0,0|1,0,0]=3 14481 B14R0.337 C=CCCCCCCCCSC(C)CC 62a_100011933949_100000758301 [0,2,0,0,0,0|1,0,0]=3 14482 B14R0.337 C=CCCCCCCCCSC(C)CO 62a_100012180447_100011933949 [0,2,0,0,0,0|2,0,0]=4 14483 B14R0.337 C=CCCCCCCCCSC(C)OC 62a_100009879195_100011933949 [0,2,0,0,0,0|2,0,0]=4 14484 B14R0.337 C=CCCCCCCCCSC(C)OC 62a_100011933949_100009879195 [0,2,0,0,0,0|2,0,0]=4 14485 B14R0.337 C=CCCCCCCCCS[C@H](C)CO 62a_100011933949_100016084084 [0,2,0,0,0,0|2,0,0]=4 14486 B14R0.337 C=CCCCCCCCCS[C@H](C)CO 62a_100016084084_100011933949 [0,2,0,0,0,0|2,0,0]=4 14487 B14R0.337 C=CCCCCCCCNCC(C)CC 2230a_100020588543_100012355270 [0,2,0,0,0,0|1,0,0]=3 14488 B14R0.337 C=CCCCCCCCNCC(C)CO 34a_100000744482_100012355270 [0,2,0,0,0,0|2,0,0]=4 14489 B14R0.337 C=CCCCCCCCNCC(O)CC 2230a_100011218483_100012355270 [0,2,0,0,0,0|1,0,0]=3 14490 B14R0.337 C=CCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100012355270 [0,2,0,0,0,0|2,0,0]=4 14491 B14R0.337 C=CCCCCCCCNC[C@@H](F)CO 34a_100015665980_100012355270 [0,2,0,0,0,0|2,0,0]=4 14492 B14R0.337 C=CCCCCCCCNC[C@H](O)CO 2230a_100020644852_100012355270 [0,2,0,0,0,0|2,0,0]=4 14493 B14R0.337 C=CCCCCCCCOCC(=O)CC 34a_100000725409_100012355270 [0,2,0,0,0,0|1,0,1]=4 14494 B14R0.337 C=CCCCCCCCOCC(=O)CC 7a_100000730831_100000747405 [0,2,0,0,0,0|1,0,1]=4 14495 B14R0.337 C=CCCCCCCCOCC(C)C=C 34a_100011215527_100012355270 [0,2,0,0,0,0|2,0,0]=4 14496 B14R0.337 C=CCCCCCCCOCC(C)C=C 7a_100011215527_100012355270 [0,2,0,0,0,0|2,0,0]=4 14497 B14R0.337 C=CCCCCCCCOCC(C)CC 34a_100000730831_100000748023 [0,2,0,0,0,0|1,0,0]=3 14498 B14R0.337 C=CCCCCCCCOCC(C)CC 7a_100000730831_100000748023 [0,2,0,0,0,0|1,0,0]=3 14499 B14R0.337 C=CCCCCCCCOCC(C)CN 34a_100000744482_100012355270 [0,2,0,0,0,0|2,0,0]=4 14500 B14R0.337 C=CCCCCCCCOCC(C)OC 34a_100000690652_100012355270 [0,2,0,0,0,0|2,0,0]=4 14501 B14R0.337 C=CCCCCCCCOCC(Cl)CCl 34a_100000033668_100012355270 [0,2,0,0,0,0|2,0,0]=4 14502 B14R0.337 C=CCCCCCCCOCC(O)CC 34a_100000730831_100011218378 [0,2,0,0,0,0|1,0,0]=3 14503 B14R0.337 C=CCCCCCCCOCC(O)CC 7a_100000730831_100011218378 [0,2,0,0,0,0|1,0,0]=3 14504 B14R0.337 C=CCCCCCCCOCC(O)CO 34a_100000730831_100011219619 [0,2,0,0,0,0|2,0,0]=4 14505 B14R0.337 C=CCCCCCCCOCC(O)CO 7a_100000730831_100011219619 [0,2,0,0,0,0|2,0,0]=4 14506 B14R0.337 C=CCCCCCCCOC[C@@H](C)CC 34a_100000730831_100009816398 [0,2,0,0,0,0|1,0,0]=3 14507 B14R0.337 C=CCCCCCCCOC[C@@H](C)CC 7a_100000730831_100009816398 [0,2,0,0,0,0|1,0,0]=3 14508 B14R0.337 C=CCCCCCCCOC[C@@H](C)CC 7a_100009816381_100012355270 [0,2,0,0,0,0|1,0,0]=3 14509 B14R0.337 C=CCCCCCCCOC[C@@H](C)CO 34a_100000730831_100000059175 [0,2,0,0,0,0|2,0,0]=4 14510 B14R0.337 C=CCCCCCCCOC[C@@H](C)CO 7a_100000730831_100000059175 [0,2,0,0,0,0|2,0,0]=4 14511 B14R0.337 C=CCCCCCCCOC[C@@H](O)CF 34a_100000730831_100015614560 [0,2,0,0,0,0|2,0,0]=4 14512 B14R0.337 C=CCCCCCCCOC[C@@H](O)CF 7a_100000730831_100015614560 [0,2,0,0,0,0|2,0,0]=4 14513 B14R0.337 C=CCCCCCCCOC[C@@H](O)CO 34a_100000730831_100009815848 [0,2,0,0,0,0|2,0,0]=4 14514 B14R0.337 C=CCCCCCCCOC[C@@H](O)CO 7a_100000730831_100009815848 [0,2,0,0,0,0|2,0,0]=4 14515 B14R0.337 C=CCCCCCCCOC[C@H](F)CN 34a_100015665980_100012355270 [0,2,0,0,0,0|2,0,0]=4 14516 B14R0.337 C=CCCCCCCCSCC(=O)CC 62a_100000747405_100012355270 [0,2,0,0,0,0|1,0,1]=4 14517 B14R0.337 C=CCCCCCCCSCC(=O)CC 62a_100012355270_100000747405 [0,2,0,0,0,0|1,0,1]=4 14518 B14R0.337 C=CCCCCCCCSCC(C)CC 62a_100000748023_100012355270 [0,2,0,0,0,0|1,0,0]=3 14519 B14R0.337 C=CCCCCCCCSCC(C)CC 62a_100012355270_100000748023 [0,2,0,0,0,0|1,0,0]=3 14520 B14R0.337 C=CCCCCCCCSCC(O)CC 62a_100011218378_100012355270 [0,2,0,0,0,0|1,0,0]=3 14521 B14R0.337 C=CCCCCCCCSCC(O)CC 62a_100012355270_100011218378 [0,2,0,0,0,0|1,0,0]=3 14522 B14R0.337 C=CCCCCCCCSCC(O)CO 62a_100011219619_100012355270 [0,2,0,0,0,0|2,0,0]=4 14523 B14R0.337 C=CCCCCCCCSCC(O)CO 62a_100012355270_100011219619 [0,2,0,0,0,0|2,0,0]=4 14524 B14R0.337 C=CCCCCCCCSC[C@@H](C)CC 62a_100009816398_100012355270 [0,2,0,0,0,0|1,0,0]=3 14525 B14R0.337 C=CCCCCCCCSC[C@@H](C)CC 62a_100012355270_100009816398 [0,2,0,0,0,0|1,0,0]=3 14526 B14R0.337 C=CCCCCCCCSC[C@@H](C)CO 62a_100000059175_100012355270 [0,2,0,0,0,0|2,0,0]=4 14527 B14R0.337 C=CCCCCCCCSC[C@@H](C)CO 62a_100012355270_100000059175 [0,2,0,0,0,0|2,0,0]=4 14528 B14R0.337 C=CCCCCCCCSC[C@@H](O)CF 62a_100012355270_100015614560 [0,2,0,0,0,0|2,0,0]=4 14529 B14R0.337 C=CCCCCCCCSC[C@@H](O)CF 62a_100015614560_100012355270 [0,2,0,0,0,0|2,0,0]=4 14530 B14R0.337 C=CCCCCCCCSC[C@@H](O)CO 62a_100009815848_100012355270 [0,2,0,0,0,0|2,0,0]=4 14531 B14R0.337 C=CCCCCCCCSC[C@@H](O)CO 62a_100012355270_100009815848 [0,2,0,0,0,0|2,0,0]=4 14532 B14R0.337 C=CCCCCCCNCCC(C)CC 2230a_100020591266_100011215473 [0,2,0,0,0,0|1,0,0]=3 14533 B14R0.337 C=CCCCCCCNCCC(C)CO 2230a_106354213184_100011215473 [0,2,0,0,0,0|2,0,0]=4 14534 B14R0.337 C=CCCCCCCNCCC(C)CO 34a_106354213184_100011215473 [0,2,0,0,0,0|2,0,0]=4 14535 B14R0.337 C=CCCCCCCOCCC(C)CC 7a_100011215188_100011215473 [0,2,0,0,0,0|1,0,0]=3 14536 B14R0.337 C=CCCCCCCOCCC(C)OC 7a_100000764861_100011215473 [0,2,0,0,0,0|2,0,0]=4 14537 B14R0.337 C=CCCCCCOCCCC(C)CC 7a_100011216074_100000700193 [0,2,0,0,0,0|1,0,0]=3 14538 B14R0.337 C=CCCCCCOCCCN(C)CC 7a_100011216702_100015186262 [0,2,0,0,0,0|2,0,0]=4 14539 B14R0.337 C=CCCCCCOCCC[C@@H](C)CN 34a_100160569302_100000700193 [0,2,0,0,0,0|2,0,0]=4 14540 B14R0.337 C=CCCCCCSCCCN(C)CC 62a_100000700193_100015186262 [0,2,0,0,0,0|2,0,0]=4 14541 B14R0.337 C=CCCCOCCCCCC(C)CC 7a_200000035636_100000757094 [0,2,0,0,0,0|1,0,0]=3 14542 B14R0.337 C=COCCOCCCCCC(C)CC 7a_200000035636_100000039644 [0,2,0,0,0,0|2,0,0]=4 14543 B14R0.337 C=C[C@H](N)COCCCCCCCCC 34a_100016989147_100011214924 [0,2,0,0,0,0|1,0,0]=3 14544 B14R0.337 C=C[C@H](N)COCCCCCCCCO 34a_100016989147_100000033203 [0,2,0,0,0,0|2,0,0]=4 14545 B14R0.337 CCC(=O)CCCCCCCCCCO 1458a_100000210414_100009813290 [0,2,0,0,0,0|1,0,0]=3 14546 B14R0.337 CCC(=O)COCCCCCCCCBr 7a_100009813846_100000747405 [0,2,0,0,0,0|2,0,0]=4 14547 B14R0.337 CCC(=O)COCCCCCCCCCl 7a_100000033203_100000747405 [0,2,0,0,0,0|2,0,0]=4 14548 B14R0.337 CCC(=O)COCCCCCCCCO 34a_100000725409_100000033203 [0,2,0,0,0,0|2,0,0]=4 14549 B14R0.337 CCC(=O)CSCCCCCCCCO 62a_100000033203_100000747405 [0,2,0,0,0,0|2,0,0]=4 14550 B14R0.337 CCC(=O)CSCCCCCCCCO 62a_100000747405_100000033203 [0,2,0,0,0,0|2,0,0]=4 14551 B14R0.337 CCC(=O)NCCCCCCCCCO 240690a_100000078944_100000210414 [0,2,0,0,0,0|2,0,0]=4 14552 B14R0.337 CCC(=O)NCCOCCCCCC=O 7a_200000158885_100000139337 [0,2,0,0,0,0|1,0,1]=4 14553 B14R0.337 CCC(=O)OCCOCCCCCC=O 7a_200000031056_100000139337 [0,2,0,0,0,0|1,0,1]=4 14554 B14R0.337 CCC(C)CCCCCOCCCC#N 7a_200000035636_100000687738 [0,2,0,0,0,0|1,0,1]=4 14555 B14R0.337 CCC(C)CCCCCOCCCC=O 7a_200000035636_200011292268 [0,2,0,0,0,0|0,0,0]=2 14556 B14R0.337 CCC(C)CCCCCOCCCCF 7a_200000035636_100000729493 [0,2,0,0,0,0|1,0,1]=4 14557 B14R0.337 CCC(C)CCCCCOCCCCO 7a_200000035636_100000210776 [0,2,0,0,0,0|0,0,2]=4 14558 B14R0.337 CCC(C)CCCCCOCCCOC 7a_200000035636_100000740836 [0,2,0,0,0,0|2,0,0]=4 14559 B14R0.337 CCC(C)CCCOCCCCCC#N 7a_100011216074_100009813376 [0,2,0,0,0,0|1,0,1]=4 14560 B14R0.337 CCC(C)CCCOCCCCCC=O 7a_100011216074_100000139337 [0,2,0,0,0,0|0,0,0]=2 14561 B14R0.337 CCC(C)CCCOCCCCCCF 7a_100011216074_100015922095 [0,2,0,0,0,0|1,0,1]=4 14562 B14R0.337 CCC(C)CCCOCCCCCCO 7a_100011216074_100000766143 [0,2,0,0,0,0|0,0,2]=4 14563 B14R0.337 CCC(C)CCNCCCCCCC#N 2230a_100020591266_100009813337 [0,2,0,0,0,0|1,0,1]=4 14564 B14R0.337 CCC(C)CCNCCCCCCCO 2230a_100020591266_100000760002 [0,2,0,0,0,0|0,0,2]=4 14565 B14R0.337 CCC(C)CCNCCCCCCOC 2230a_100020591266_100011998445 [0,2,0,0,0,0|2,0,0]=4 14566 B14R0.337 CCC(C)CCOCCCCCCC#N 7a_100011215188_100009813337 [0,2,0,0,0,0|1,0,1]=4 14567 B14R0.337 CCC(C)CCOCCCCCCCO 7a_100011215188_100000760002 [0,2,0,0,0,0|0,0,2]=4 14568 B14R0.337 CCC(C)CCOCCCCCCOC 7a_100011215188_100011998445 [0,2,0,0,0,0|2,0,0]=4 14569 B14R0.337 CCC(C)CNCCCCCCCCO 2230a_100020588543_100000033203 [0,2,0,0,0,0|0,0,2]=4 14570 B14R0.337 CCC(C)CNCCCCCCCCO 2230a_102515433106_100000748023 [0,2,0,0,0,0|0,0,2]=4 14571 B14R0.337 CCC(C)CNCCCCCCCCO 270004a_102515433106_100000243153 [0,2,0,0,0,0|0,0,2]=4 14572 B14R0.337 CCC(C)CNCCCCCCCCO 34a_102515433106_100000748023 [0,2,0,0,0,0|0,0,2]=4 14573 B14R0.337 CCC(C)COCCCCCCCCBr 34a_100009813846_100000748023 [0,2,0,0,0,0|1,0,1]=4 14574 B14R0.337 CCC(C)COCCCCCCCCBr 7a_100009813846_100000748023 [0,2,0,0,0,0|1,0,1]=4 14575 B14R0.337 CCC(C)COCCCCCCCCCl 34a_100000033203_100000748023 [0,2,0,0,0,0|1,0,1]=4 14576 B14R0.337 CCC(C)COCCCCCCCCCl 7a_100000033203_100000748023 [0,2,0,0,0,0|1,0,1]=4 14577 B14R0.337 CCC(C)COCCCCCCCCN 34a_102515433106_100000748023 [0,2,0,0,0,0|1,0,1]=4 14578 B14R0.337 CCC(C)CSCCCCCCCCO 62a_100000033203_100000748023 [0,2,0,0,0,0|0,0,2]=4 14579 B14R0.337 CCC(C)CSCCCCCCCCO 62a_100000748023_100000033203 [0,2,0,0,0,0|0,0,2]=4 14580 B14R0.337 CCC(C)NCCCCCCCCCO 2230a_100000078944_100000758301 [0,2,0,0,0,0|0,0,2]=4 14581 B14R0.337 CCC(C)NCCCCCCCCCO 2230a_100000209981_100009813782 [0,2,0,0,0,0|0,0,2]=4 14582 B14R0.337 CCC(C)NCCCCCCCCCO 34a_100000078944_100011215416 [0,2,0,0,0,0|0,0,2]=4 14583 B14R0.337 CCC(C)OCCCCCCCCCBr 34a_100009813782_100011215416 [0,2,0,0,0,0|1,0,1]=4 14584 B14R0.337 CCC(C)OCCCCCCCCCBr 7a_100009813782_100000758301 [0,2,0,0,0,0|1,0,1]=4 14585 B14R0.337 CCC(C)OCCCCCCCCCCl 34a_100009868337_100011215416 [0,2,0,0,0,0|1,0,1]=4 14586 B14R0.337 CCC(C)OCCCCCCCCCCl 7a_100009868337_100000758301 [0,2,0,0,0,0|1,0,1]=4 14587 B14R0.337 CCC(C)OCCCCCCCCCN 34a_100000078944_100011215416 [0,2,0,0,0,0|1,0,1]=4 14588 B14R0.337 CCC(C)OCCCCCCCCCO 7a_100000210228_100009813782 [0,2,0,0,0,0|0,0,2]=4 14589 B14R0.337 CCC(C)SCCCCCCCCCO 62a_100000758301_100009813782 [0,2,0,0,0,0|0,0,2]=4 14590 B14R0.337 CCC(C)SCCCCCCCCCO 62a_100009813782_100000758301 [0,2,0,0,0,0|0,0,2]=4 14591 B14R0.337 CCC(O)CNCCCCCCCCO 2230a_100011218483_100000033203 [0,2,0,0,0,0|0,0,2]=4 14592 B14R0.337 CCC(O)CNCCCCCCCCO 2230a_102515433106_100011218378 [0,2,0,0,0,0|0,0,2]=4 14593 B14R0.337 CCC(O)CNCCCCCCCCO 34a_102515433106_100011218378 [0,2,0,0,0,0|0,0,2]=4 14594 B14R0.337 CCC(O)COCCCCCCCCBr 34a_100009813846_100011218378 [0,2,0,0,0,0|1,0,1]=4 14595 B14R0.337 CCC(O)COCCCCCCCCBr 7a_100009813846_100011218378 [0,2,0,0,0,0|1,0,1]=4 14596 B14R0.337 CCC(O)COCCCCCCCCCl 34a_100000033203_100011218378 [0,2,0,0,0,0|1,0,1]=4 14597 B14R0.337 CCC(O)COCCCCCCCCCl 7a_100000033203_100011218378 [0,2,0,0,0,0|1,0,1]=4 14598 B14R0.337 CCC(O)COCCCCCCCCN 34a_102515433106_100011218378 [0,2,0,0,0,0|1,0,1]=4 14599 B14R0.337 CCC(O)CSCCCCCCCCO 62a_100000033203_100011218378 [0,2,0,0,0,0|0,0,2]=4 14600 B14R0.337 CCC(O)CSCCCCCCCCO 62a_100011218378_100000033203 [0,2,0,0,0,0|0,0,2]=4 14601 B14R0.337 CCCCCCCCCC=CC(=O)CC 1458a_200015352897_100000210202 [0,2,0,0,0,0|0,0,2]=4 14602 B14R0.337 CCCCCCCCCC=CC(=O)CF 1458a_200015352897_100015361967 [0,2,0,0,0,0|0,0,2]=4 14603 B14R0.337 CCCCCCCCCC=CC(=O)NC 11a_106832991635_200015352897 [0,2,0,0,0,0|0,0,2]=4 14604 B14R0.337 CCCCCCCCCC=CC(=O)NC 1626a_100102657272_200015352897 [0,2,0,0,0,0|0,0,2]=4 14605 B14R0.337 CCCCCCCCCC=CC(=O)NC 240690a_100102657272_200015352897 [0,2,0,0,0,0|0,0,2]=4 14606 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210414_100011215454 [0,2,0,0,0,0|0,0,0]=2 14607 B14R0.337 CCCCCCCCCCCC(=O)CC 1458a_100000210736_100000210202 [0,2,0,0,0,0|0,0,0]=2 14608 B14R0.337 CCCCCCCCCCCC(=O)CF 1458a_100000210736_100015361967 [0,2,0,0,0,0|0,0,0]=2 14609 B14R0.337 CCCCCCCCCCCC(=O)CO 1458a_100000210174_100011215454 [0,2,0,0,0,0|0,0,0]=2 14610 B14R0.337 CCCCCCCCCCCC(=O)NC 11a_106832991635_100000210736 [0,2,0,0,0,0|0,0,0]=2 14611 B14R0.337 CCCCCCCCCCCC(=O)NC 1626a_100102657272_100000210736 [0,2,0,0,0,0|0,0,0]=2 14612 B14R0.337 CCCCCCCCCCCC(=O)NC 240690a_100102657272_100000210736 [0,2,0,0,0,0|0,0,0]=2 14613 B14R0.337 CCCCCCCCCCCC(C)NC 270004a_106832991635_100011216755 [0,2,0,0,0,0|1,0,1]=4 14614 B14R0.337 CCCCCCCCCCCC(C)OC 34a_100011217895_200000210301 [0,2,0,0,0,0|0,0,2]=4 14615 B14R0.337 CCCCCCCCCCCC(C)OC 7a_100011217895_200000210301 [0,2,0,0,0,0|0,0,2]=4 14616 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 34a_100011217895_200025704644 [0,2,0,0,0,0|0,0,2]=4 14617 B14R0.337 CCCCCCCCCCCC(C)O[13CH3] 7a_100011217895_200025704644 [0,2,0,0,0,0|0,0,2]=4 14618 B14R0.337 CCCCCCCCCCCN(C)CC 2230a_100000225621_100011215454 [0,2,0,0,0,0|1,0,1]=4 14619 B14R0.337 CCCCCCCCCCCN(C)CC 269982a_100000225621_100011215454 [0,2,0,0,0,0|1,0,1]=4 14620 B14R0.337 CCCCCCCCCCNC(=O)CC 11a_100000684558_100000210414 [0,2,0,0,0,0|1,0,0]=3 14621 B14R0.337 CCCCCCCCCCNC(=O)CC 1626a_100000684558_100000210414 [0,2,0,0,0,0|1,0,0]=3 14622 B14R0.337 CCCCCCCCCCNC(=O)CC 240690a_100000684558_100000210414 [0,2,0,0,0,0|1,0,0]=3 14623 B14R0.337 CCCCCCCCCCNC(=O)CC 527a_100000684558_100000210414 [0,2,0,0,0,0|1,0,0]=3 14624 B14R0.337 CCCCCCCCCCNC(=O)CO 240690a_100000684558_100000210174 [0,2,0,0,0,0|1,0,0]=3 14625 B14R0.337 CCCCCCCCCCNC(=O)CO 527a_100000684558_100000210174 [0,2,0,0,0,0|1,0,0]=3 14626 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100000684558_106832991635 [0,2,0,0,0,0|1,0,0]=3 14627 B14R0.337 CCCCCCCCCCNC(=O)NC 2708a_100102657272_100000684558 [0,2,0,0,0,0|1,0,0]=3 14628 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100000684558_100102657272 [0,2,0,0,0,0|1,0,0]=3 14629 B14R0.337 CCCCCCCCCCNC(=O)NC 273464a_100102657272_100000684558 [0,2,0,0,0,0|1,0,0]=3 14630 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_100000684558_100102657272 [0,2,0,0,0,0|1,0,0]=3 14631 B14R0.337 CCCCCCCCCCNC(=O)NC 512a_106832991638_100000684558 [0,2,0,0,0,0|1,0,0]=3 14632 B14R0.337 CCCCCCCCCCNC(C)C#N 2230a_100000684558_100000184139 [0,2,0,0,0,0|1,0,1]=4 14633 B14R0.337 CCCCCCCCCCNC(C)C#N 2230a_100000737613_100000210320 [0,2,0,0,0,0|1,0,1]=4 14634 B14R0.337 CCCCCCCCCCNC(C)CC 2230a_100000209981_100000210320 [0,2,0,0,0,0|1,0,1]=4 14635 B14R0.337 CCCCCCCCCCNC(C)CC 2230a_100000684558_100000758301 [0,2,0,0,0,0|1,0,1]=4 14636 B14R0.337 CCCCCCCCCCNC(C)CC 34a_100000684558_100011215416 [0,2,0,0,0,0|1,0,1]=4 14637 B14R0.337 CCCCCCCCCCNC(C)CO 2230a_100000684558_100012180447 [0,2,0,0,0,0|0,0,2]=4 14638 B14R0.337 CCCCCCCCCCNC(C)CO 34a_100000684558_100012180447 [0,2,0,0,0,0|0,0,2]=4 14639 B14R0.337 CCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210320 [0,2,0,0,0,0|0,0,2]=4 14640 B14R0.337 CCCCCCCCCCOC(C)C#N 34a_100011218135_100000210320 [0,2,0,0,0,0|1,0,1]=4 14641 B14R0.337 CCCCCCCCCCOC(C)C#N 7a_100000210711_100000703298 [0,2,0,0,0,0|1,0,1]=4 14642 B14R0.337 CCCCCCCCCCOC(C)CC 34a_100000210711_100011215416 [0,2,0,0,0,0|1,0,1]=4 14643 B14R0.337 CCCCCCCCCCOC(C)CC 7a_100000210228_100000210320 [0,2,0,0,0,0|1,0,1]=4 14644 B14R0.337 CCCCCCCCCCOC(C)CC 7a_100000210711_100000758301 [0,2,0,0,0,0|1,0,1]=4 14645 B14R0.337 CCCCCCCCCCOC(C)CF 34a_100016041109_100000210320 [0,2,0,0,0,0|1,0,1]=4 14646 B14R0.337 CCCCCCCCCCOC(C)CF 7a_100016041109_100000210320 [0,2,0,0,0,0|1,0,1]=4 14647 B14R0.337 CCCCCCCCCCOC(C)CN 34a_100000210904_100000210320 [0,2,0,0,0,0|1,0,1]=4 14648 B14R0.337 CCCCCCCCCCOC(C)CO 34a_100000210711_100012180447 [0,2,0,0,0,0|0,0,2]=4 14649 B14R0.337 CCCCCCCCCCOC(C)CO 7a_100000210711_100012180447 [0,2,0,0,0,0|0,0,2]=4 14650 B14R0.337 CCCCCCCCCCSC(C)C#N 62a_100000703298_100000210320 [0,2,0,0,0,0|1,0,1]=4 14651 B14R0.337 CCCCCCCCCCSC(C)CC 62a_100000758301_100000210320 [0,2,0,0,0,0|1,0,1]=4 14652 B14R0.337 CCCCCCCCCCSC(C)CO 62a_100012180447_100000210320 [0,2,0,0,0,0|0,0,2]=4 14653 B14R0.337 CCCCCCCCCCSC(C)OC 62a_100009879195_100000210320 [0,2,0,0,0,0|2,0,0]=4 14654 B14R0.337 CCCCCCCCCCSC(F)C#N 62a_200000117898_100000210320 [0,2,0,0,0,0|1,0,1]=4 14655 B14R0.337 CCCCCCCCCCS[C@H](C)CO 62a_100016084084_100000210320 [0,2,0,0,0,0|0,0,2]=4 14656 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000212291_100000183359 [0,2,0,0,0,0|1,0,0]=3 14657 B14R0.337 CCCCCCCCCNCC(=O)NC 2230a_100000693194_100011214924 [0,2,0,0,0,0|1,0,0]=3 14658 B14R0.337 CCCCCCCCCNCC(=O)NC 34a_100000212291_100000183359 [0,2,0,0,0,0|1,0,0]=3 14659 B14R0.337 CCCCCCCCCNCC(=O)OC 2230a_100000212291_100000747449 [0,2,0,0,0,0|1,0,0]=3 14660 B14R0.337 CCCCCCCCCNCC(=O)OC 34a_100000212291_100000747449 [0,2,0,0,0,0|1,0,0]=3 14661 B14R0.337 CCCCCCCCCNCC(C)CC 2230a_100000212291_100000748023 [0,2,0,0,0,0|1,0,1]=4 14662 B14R0.337 CCCCCCCCCNCC(C)CC 2230a_100020588543_100011214924 [0,2,0,0,0,0|1,0,1]=4 14663 B14R0.337 CCCCCCCCCNCC(C)CC 270004a_100000212291_100000243153 [0,2,0,0,0,0|1,0,1]=4 14664 B14R0.337 CCCCCCCCCNCC(C)CC 34a_100000212291_100000748023 [0,2,0,0,0,0|1,0,1]=4 14665 B14R0.337 CCCCCCCCCNCC(C)CO 34a_100000744482_100011214924 [0,2,0,0,0,0|0,0,2]=4 14666 B14R0.337 CCCCCCCCCNCC(O)CC 2230a_100000212291_100011218378 [0,2,0,0,0,0|1,0,1]=4 14667 B14R0.337 CCCCCCCCCNCC(O)CC 2230a_100011218483_100011214924 [0,2,0,0,0,0|1,0,1]=4 14668 B14R0.337 CCCCCCCCCNCC(O)CC 34a_100000212291_100011218378 [0,2,0,0,0,0|1,0,1]=4 14669 B14R0.337 CCCCCCCCCNCC(O)CO 2230a_100000212291_100011219619 [0,2,0,0,0,0|0,0,2]=4 14670 B14R0.337 CCCCCCCCCNCC(O)CO 34a_100000212291_100011219619 [0,2,0,0,0,0|0,0,2]=4 14671 B14R0.337 CCCCCCCCCNC[C@@H](C)CC 2230a_100000212291_100009816398 [0,2,0,0,0,0|1,0,1]=4 14672 B14R0.337 CCCCCCCCCNC[C@@H](C)CC 34a_100000212291_100009816398 [0,2,0,0,0,0|1,0,1]=4 14673 B14R0.337 CCCCCCCCCNC[C@@H](C)CO 2230a_100000212291_100000059175 [0,2,0,0,0,0|0,0,2]=4 14674 B14R0.337 CCCCCCCCCNC[C@@H](C)CO 34a_100000212291_100000059175 [0,2,0,0,0,0|0,0,2]=4 14675 B14R0.337 CCCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011214924 [0,2,0,0,0,0|2,0,0]=4 14676 B14R0.337 CCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100011214924 [0,2,0,0,0,0|0,0,2]=4 14677 B14R0.337 CCCCCCCCCNC[C@@H](O)CF 2230a_100000212291_100015614560 [0,2,0,0,0,0|1,0,1]=4 14678 B14R0.337 CCCCCCCCCNC[C@@H](O)CF 34a_100000212291_100015614560 [0,2,0,0,0,0|1,0,1]=4 14679 B14R0.337 CCCCCCCCCNC[C@@H](O)CO 2230a_100000212291_100009815848 [0,2,0,0,0,0|0,0,2]=4 14680 B14R0.337 CCCCCCCCCNC[C@@H](O)CO 34a_100000212291_100009815848 [0,2,0,0,0,0|0,0,2]=4 14681 B14R0.337 CCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100011214924 [0,2,0,0,0,0|0,0,2]=4 14682 B14R0.337 CCCCCCCCCOCC(=O)CC 34a_100000725409_100011214924 [0,2,0,0,0,0|1,0,0]=3 14683 B14R0.337 CCCCCCCCCOCC(=O)CC 7a_100000210712_100000747405 [0,2,0,0,0,0|1,0,0]=3 14684 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000210712_100000183359 [0,2,0,0,0,0|1,0,0]=3 14685 B14R0.337 CCCCCCCCCOCC(=O)NC 34a_100000750040_100011214924 [0,2,0,0,0,0|1,0,0]=3 14686 B14R0.337 CCCCCCCCCOCC(=O)NC 7a_100000210712_100000183359 [0,2,0,0,0,0|1,0,0]=3 14687 B14R0.337 CCCCCCCCCOCC(=O)OC 34a_100000210712_100000747449 [0,2,0,0,0,0|1,0,0]=3 14688 B14R0.337 CCCCCCCCCOCC(=O)OC 7a_100000210712_100000747449 [0,2,0,0,0,0|1,0,0]=3 14689 B14R0.337 CCCCCCCCCOCC(C)CC 34a_100000210712_100000748023 [0,2,0,0,0,0|1,0,1]=4 14690 B14R0.337 CCCCCCCCCOCC(C)CC 7a_100000210712_100000748023 [0,2,0,0,0,0|1,0,1]=4 14691 B14R0.337 CCCCCCCCCOCC(C)CN 34a_100000744482_100011214924 [0,2,0,0,0,0|1,0,1]=4 14692 B14R0.337 CCCCCCCCCOCC(C)OC 34a_100000690652_100011214924 [0,2,0,0,0,0|2,0,0]=4 14693 B14R0.337 CCCCCCCCCOCC(Cl)CCl 34a_100000033668_100011214924 [0,2,0,0,0,0|1,0,1]=4 14694 B14R0.337 CCCCCCCCCOCC(O)CC 34a_100000210712_100011218378 [0,2,0,0,0,0|1,0,1]=4 14695 B14R0.337 CCCCCCCCCOCC(O)CC 7a_100000210712_100011218378 [0,2,0,0,0,0|1,0,1]=4 14696 B14R0.337 CCCCCCCCCOCC(O)CO 34a_100000210712_100011219619 [0,2,0,0,0,0|0,0,2]=4 14697 B14R0.337 CCCCCCCCCOCC(O)CO 7a_100000210712_100011219619 [0,2,0,0,0,0|0,0,2]=4 14698 B14R0.337 CCCCCCCCCOC[C@@H](C)CC 34a_100000210712_100009816398 [0,2,0,0,0,0|1,0,1]=4 14699 B14R0.337 CCCCCCCCCOC[C@@H](C)CC 7a_100000210712_100009816398 [0,2,0,0,0,0|1,0,1]=4 14700 B14R0.337 CCCCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210328 [0,2,0,0,0,0|1,0,1]=4 14701 B14R0.337 CCCCCCCCCOC[C@@H](C)CO 34a_100000210712_100000059175 [0,2,0,0,0,0|0,0,2]=4 14702 B14R0.337 CCCCCCCCCOC[C@@H](C)CO 7a_100000210712_100000059175 [0,2,0,0,0,0|0,0,2]=4 14703 B14R0.337 CCCCCCCCCOC[C@@H](O)CF 34a_100000210712_100015614560 [0,2,0,0,0,0|1,0,1]=4 14704 B14R0.337 CCCCCCCCCOC[C@@H](O)CF 7a_100000210712_100015614560 [0,2,0,0,0,0|1,0,1]=4 14705 B14R0.337 CCCCCCCCCOC[C@@H](O)CO 34a_100000210712_100009815848 [0,2,0,0,0,0|0,0,2]=4 14706 B14R0.337 CCCCCCCCCOC[C@@H](O)CO 7a_100000210712_100009815848 [0,2,0,0,0,0|0,0,2]=4 14707 B14R0.337 CCCCCCCCCOC[C@H](F)CN 34a_100015665980_100011214924 [0,2,0,0,0,0|1,0,1]=4 14708 B14R0.337 CCCCCCCCCSCC(=O)CC 62a_100000747405_100000210670 [0,2,0,0,0,0|1,0,0]=3 14709 B14R0.337 CCCCCCCCCSCC(=O)NC 62a_100000183359_100000210670 [0,2,0,0,0,0|1,0,0]=3 14710 B14R0.337 CCCCCCCCCSCC(=O)OC 62a_100000747449_100000210670 [0,2,0,0,0,0|1,0,0]=3 14711 B14R0.337 CCCCCCCCCSCC(C)CC 62a_100000748023_100000210670 [0,2,0,0,0,0|1,0,1]=4 14712 B14R0.337 CCCCCCCCCSCC(O)CC 62a_100011218378_100000210670 [0,2,0,0,0,0|1,0,1]=4 14713 B14R0.337 CCCCCCCCCSCC(O)CO 62a_100011219619_100000210670 [0,2,0,0,0,0|0,0,2]=4 14714 B14R0.337 CCCCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210670 [0,2,0,0,0,0|1,0,1]=4 14715 B14R0.337 CCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210670 [0,2,0,0,0,0|0,0,2]=4 14716 B14R0.337 CCCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210670 [0,2,0,0,0,0|1,0,1]=4 14717 B14R0.337 CCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210670 [0,2,0,0,0,0|0,0,2]=4 14718 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000229939_100000737683 [0,2,0,0,0,0|1,0,0]=3 14719 B14R0.337 CCCCCCCCNCCC(=O)NC 2230a_100000738227_100000210759 [0,2,0,0,0,0|1,0,0]=3 14720 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000229939_100012179268 [0,2,0,0,0,0|1,0,0]=3 14721 B14R0.337 CCCCCCCCNCCC(=O)NC 34a_100000738227_100000210759 [0,2,0,0,0,0|1,0,0]=3 14722 B14R0.337 CCCCCCCCNCCC(=O)OC 2230a_100000229939_100000204255 [0,2,0,0,0,0|1,0,0]=3 14723 B14R0.337 CCCCCCCCNCCC(=O)OC 34a_100000229939_100000742370 [0,2,0,0,0,0|1,0,0]=3 14724 B14R0.337 CCCCCCCCNCCC(C)CC 2230a_100020591266_100000210759 [0,2,0,0,0,0|1,0,1]=4 14725 B14R0.337 CCCCCCCCNCCC(C)CO 2230a_106354213184_100000210759 [0,2,0,0,0,0|0,0,2]=4 14726 B14R0.337 CCCCCCCCNCCC(C)CO 34a_106354213184_100000210759 [0,2,0,0,0,0|0,0,2]=4 14727 B14R0.337 CCCCCCCCOCCC(=NO)N 34a_100000749954_100000210759 [0,2,0,0,0,0|1,0,1]=4 14728 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000210232_100012179268 [0,2,0,0,0,0|1,0,0]=3 14729 B14R0.337 CCCCCCCCOCCC(=O)NC 34a_100000754576_100000210759 [0,2,0,0,0,0|1,0,0]=3 14730 B14R0.337 CCCCCCCCOCCC(=O)NC 7a_100000210232_100000737683 [0,2,0,0,0,0|1,0,0]=3 14731 B14R0.337 CCCCCCCCOCCC(=O)OC 34a_100000210232_100000742370 [0,2,0,0,0,0|1,0,0]=3 14732 B14R0.337 CCCCCCCCOCCC(=O)OC 7a_100000210232_100000204255 [0,2,0,0,0,0|1,0,0]=3 14733 B14R0.337 CCCCCCCCOCCC(C)CC 7a_100011215188_100000210759 [0,2,0,0,0,0|1,0,1]=4 14734 B14R0.337 CCCCCCCCOCCC(C)OC 7a_100000764861_100000210759 [0,2,0,0,0,0|2,0,0]=4 14735 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000210759_100000737683 [0,2,0,0,0,0|1,0,0]=3 14736 B14R0.337 CCCCCCCCSCCC(=O)NC 62a_100000737683_100000210317 [0,2,0,0,0,0|1,0,0]=3 14737 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000204255_100000210317 [0,2,0,0,0,0|1,0,0]=3 14738 B14R0.337 CCCCCCCCSCCC(=O)OC 62a_100000210759_100000204255 [0,2,0,0,0,0|1,0,0]=3 14739 B14R0.337 CCCCCCCCSCOC(=O)OC 62a_100000210759_100000139417 [0,2,0,0,0,0|2,0,0]=4 14740 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000229938_100000741757 [0,2,0,0,0,0|1,0,0]=3 14741 B14R0.337 CCCCCCCNCCCC(=O)NC 2230a_100000740002_100000210681 [0,2,0,0,0,0|1,0,0]=3 14742 B14R0.337 CCCCCCCNCCCC(=O)NC 34a_100000740002_100000210614 [0,2,0,0,0,0|1,0,0]=3 14743 B14R0.337 CCCCCCCNCCCC(=O)OC 2230a_100000229938_100011218270 [0,2,0,0,0,0|1,0,0]=3 14744 B14R0.337 CCCCCCCNCCNC(=O)CC 34a_100132302217_100000210614 [0,2,0,0,0,0|2,0,0]=4 14745 B14R0.337 CCCCCCCNCCNC(=O)NC 34a_100015205895_100000210614 [0,2,0,0,0,0|2,0,0]=4 14746 B14R0.337 CCCCCCCOCCCC(=O)NC 34a_100000210272_100000741757 [0,2,0,0,0,0|1,0,0]=3 14747 B14R0.337 CCCCCCCOCCCC(=O)NC 7a_100000210272_100000741757 [0,2,0,0,0,0|1,0,0]=3 14748 B14R0.337 CCCCCCCOCCCC(=O)NN 34a_100000211488_100000210614 [0,2,0,0,0,0|1,0,0]=3 14749 B14R0.337 CCCCCCCOCCCC(=O)OC 34a_100000210272_100000742333 [0,2,0,0,0,0|1,0,0]=3 14750 B14R0.337 CCCCCCCOCCCC(=O)OC 7a_100000210272_100011218270 [0,2,0,0,0,0|1,0,0]=3 14751 B14R0.337 CCCCCCCOCCCC(C)CC 7a_100011216074_100000210614 [0,2,0,0,0,0|1,0,1]=4 14752 B14R0.337 CCCCCCCOCCC[C@@H](C)CN 34a_100160569302_100000210614 [0,2,0,0,0,0|1,0,1]=4 14753 B14R0.337 CCCCCCCOCCNC(=O)CC 34a_200000158885_100000210614 [0,2,0,0,0,0|2,0,0]=4 14754 B14R0.337 CCCCCCCOCCNC(=O)CC 7a_200000158885_100000210614 [0,2,0,0,0,0|2,0,0]=4 14755 B14R0.337 CCCCCCCOCCNC(=O)OC 34a_100000757965_100000210614 [0,2,0,0,0,0|2,0,0]=4 14756 B14R0.337 CCCCCCCOCCOC(=O)CC 7a_200000031056_100000210614 [0,2,0,0,0,0|2,0,0]=4 14757 B14R0.337 CCCCCCCOCCOC(=O)NC 34a_100000210272_200011997002 [0,2,0,0,0,0|2,0,0]=4 14758 B14R0.337 CCCCCCCOCCOC(=O)NC 7a_100000210272_200011997002 [0,2,0,0,0,0|2,0,0]=4 14759 B14R0.337 CCCCCCCOCCOC(=O)OC 34a_100010262106_100000210614 [0,2,0,0,0,0|2,0,0]=4 14760 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000210614_100000741757 [0,2,0,0,0,0|1,0,0]=3 14761 B14R0.337 CCCCCCCSCCCC(=O)NC 62a_100000741757_100000210316 [0,2,0,0,0,0|1,0,0]=3 14762 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100000210614_100011218270 [0,2,0,0,0,0|1,0,0]=3 14763 B14R0.337 CCCCCCCSCCCC(=O)OC 62a_100011218270_100000210316 [0,2,0,0,0,0|1,0,0]=3 14764 B14R0.337 CCCCCCCSCCOC(=O)NC 62a_100000210614_200011997002 [0,2,0,0,0,0|2,0,0]=4 14765 B14R0.337 CCCCCCCSCCOC(=O)NC 62a_200011997002_100000210316 [0,2,0,0,0,0|2,0,0]=4 14766 B14R0.337 CCCCCCNCCCCC(=O)OC 2230a_100000210581_100000204269 [0,2,0,0,0,0|1,0,0]=3 14767 B14R0.337 CCCCCCNCCOCC(=O)OC 2230a_100000210581_100000090808 [0,2,0,0,0,0|2,0,0]=4 14768 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000059025_100000210314 [0,2,0,0,0,0|1,0,0]=3 14769 B14R0.337 CCCCCCOCCCCC(=O)OC 34a_100000210259_100000204269 [0,2,0,0,0,0|1,0,0]=3 14770 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000059025_100000210314 [0,2,0,0,0,0|1,0,0]=3 14771 B14R0.337 CCCCCCOCCCCC(=O)OC 7a_100000210259_100000204269 [0,2,0,0,0,0|1,0,0]=3 14772 B14R0.337 CCCCCCOCCOCC(=O)CC 7a_100000691444_100000747405 [0,2,0,0,0,0|2,0,0]=4 14773 B14R0.337 CCCCCCOCCOCC(=O)NC 34a_100000691444_100000183359 [0,2,0,0,0,0|2,0,0]=4 14774 B14R0.337 CCCCCCOCCOCC(=O)NC 7a_100000691444_100000183359 [0,2,0,0,0,0|2,0,0]=4 14775 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000210259_100000090808 [0,2,0,0,0,0|2,0,0]=4 14776 B14R0.337 CCCCCCOCCOCC(=O)OC 34a_100000691444_100000747449 [0,2,0,0,0,0|2,0,0]=4 14777 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000210259_100000090808 [0,2,0,0,0,0|2,0,0]=4 14778 B14R0.337 CCCCCCOCCOCC(=O)OC 7a_100000691444_100000747449 [0,2,0,0,0,0|2,0,0]=4 14779 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000204269_100000210757 [0,2,0,0,0,0|1,0,0]=3 14780 B14R0.337 CCCCCCSCCCCC(=O)OC 62a_100000210314_100000204269 [0,2,0,0,0,0|1,0,0]=3 14781 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000090808_100000210757 [0,2,0,0,0,0|2,0,0]=4 14782 B14R0.337 CCCCCCSCCOCC(=O)OC 62a_100000210314_100000090808 [0,2,0,0,0,0|2,0,0]=4 14783 B14R0.337 CCCCCNCCCCCC(=O)OC 2230a_100000209983_100009816466 [0,2,0,0,0,0|1,0,0]=3 14784 B14R0.337 CCCCCNCCOCCC(=O)NC 34a_100000224656_100012179268 [0,2,0,0,0,0|2,0,0]=4 14785 B14R0.337 CCCCCNCCOCCC(=O)OC 34a_100000224656_100000742370 [0,2,0,0,0,0|2,0,0]=4 14786 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000074720_100000718602 [0,2,0,0,0,0|1,0,0]=3 14787 B14R0.337 CCCCCOCCCCCC(=O)OC 34a_100000210253_100009816466 [0,2,0,0,0,0|1,0,0]=3 14788 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000074720_100000210326 [0,2,0,0,0,0|1,0,0]=3 14789 B14R0.337 CCCCCOCCCCCC(=O)OC 7a_100000210253_100009816466 [0,2,0,0,0,0|1,0,0]=3 14790 B14R0.337 CCCCCOCCCCCC(C)CC 7a_200000035636_100000210326 [0,2,0,0,0,0|1,0,1]=4 14791 B14R0.337 CCCCCOCCOCCC(=O)NC 34a_100011215259_100012179268 [0,2,0,0,0,0|2,0,0]=4 14792 B14R0.337 CCCCCOCCOCCC(=O)NC 7a_100011215259_100000737683 [0,2,0,0,0,0|2,0,0]=4 14793 B14R0.337 CCCCCOCCOCCC(=O)OC 34a_100011215259_100000742370 [0,2,0,0,0,0|2,0,0]=4 14794 B14R0.337 CCCCCOCCOCCC(=O)OC 7a_100011215259_100000204255 [0,2,0,0,0,0|2,0,0]=4 14795 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100000210326_100009816466 [0,2,0,0,0,0|1,0,0]=3 14796 B14R0.337 CCCCCSCCCCCC(=O)OC 62a_100009816466_100000210326 [0,2,0,0,0,0|1,0,0]=3 14797 B14R0.337 CCCCNCCCCCCC(=O)OC 2230a_100000102301_100009815986 [0,2,0,0,0,0|1,0,0]=3 14798 B14R0.337 CCCCNCCCCCCC(=O)OC 7a_106832991798_100009815986 [0,2,0,0,0,0|1,0,0]=3 14799 B14R0.337 CCCCNCCCCOCC(=O)NC 34a_200011216965_100000183359 [0,2,0,0,0,0|2,0,0]=4 14800 B14R0.337 CCCCNCCCCOCC(=O)OC 34a_200011216965_100000747449 [0,2,0,0,0,0|2,0,0]=4 14801 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100000210227_100009815986 [0,2,0,0,0,0|1,0,0]=3 14802 B14R0.337 CCCCOCCCCCCC(=O)OC 34a_100009863599_100000210210 [0,2,0,0,0,0|1,0,0]=3 14803 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100000210227_100009815986 [0,2,0,0,0,0|1,0,0]=3 14804 B14R0.337 CCCCOCCCCCCC(=O)OC 7a_100009863599_100000210211 [0,2,0,0,0,0|1,0,0]=3 14805 B14R0.337 CCCCOCCCCOCC(=O)CC 7a_200000760531_100000747405 [0,2,0,0,0,0|2,0,0]=4 14806 B14R0.337 CCCCOCCCCOCC(=O)NC 34a_200000760531_100000183359 [0,2,0,0,0,0|2,0,0]=4 14807 B14R0.337 CCCCOCCCCOCC(=O)NC 7a_200000760531_100000183359 [0,2,0,0,0,0|2,0,0]=4 14808 B14R0.337 CCCCOCCCCOCC(=O)OC 34a_200000760531_100000747449 [0,2,0,0,0,0|2,0,0]=4 14809 B14R0.337 CCCCOCCCCOCC(=O)OC 7a_200000760531_100000747449 [0,2,0,0,0,0|2,0,0]=4 14810 B14R0.337 CCCCOCCCNCCC(=O)NC 2230a_200000211371_100000737683 [0,2,0,0,0,0|2,0,0]=4 14811 B14R0.337 CCCCOCCCNCCC(=O)NC 34a_200000211371_100012179268 [0,2,0,0,0,0|2,0,0]=4 14812 B14R0.337 CCCCOCCCNCCC(=O)OC 2230a_200000211371_100000204255 [0,2,0,0,0,0|2,0,0]=4 14813 B14R0.337 CCCCOCCCNCCC(=O)OC 34a_200000211371_100000742370 [0,2,0,0,0,0|2,0,0]=4 14814 B14R0.337 CCCCOCCCOCCC(=O)NC 34a_200011215613_100012179268 [0,2,0,0,0,0|2,0,0]=4 14815 B14R0.337 CCCCOCCCOCCC(=O)NC 7a_200011215613_100000737683 [0,2,0,0,0,0|2,0,0]=4 14816 B14R0.337 CCCCOCCCOCCC(=O)OC 34a_200011215613_100000742370 [0,2,0,0,0,0|2,0,0]=4 14817 B14R0.337 CCCCOCCCOCCC(=O)OC 7a_200011215613_100000204255 [0,2,0,0,0,0|2,0,0]=4 14818 B14R0.337 CCCCOCCNCCCC(=O)NC 2230a_100000740002_100000743108 [0,2,0,0,0,0|2,0,0]=4 14819 B14R0.337 CCCCOCCNCCCC(=O)NC 34a_100000740002_100000743108 [0,2,0,0,0,0|2,0,0]=4 14820 B14R0.337 CCCCOCCOCCCC(=O)NC 34a_100000210238_100000741757 [0,2,0,0,0,0|2,0,0]=4 14821 B14R0.337 CCCCOCCOCCCC(=O)NC 7a_100000210238_100000741757 [0,2,0,0,0,0|2,0,0]=4 14822 B14R0.337 CCCCOCCOCCCC(=O)NN 34a_100000211488_100000743108 [0,2,0,0,0,0|2,0,0]=4 14823 B14R0.337 CCCCOCCOCCCC(=O)OC 34a_100000210238_100000742333 [0,2,0,0,0,0|2,0,0]=4 14824 B14R0.337 CCCCOCCOCCCC(=O)OC 7a_100000210238_100011218270 [0,2,0,0,0,0|2,0,0]=4 14825 B14R0.337 CCCCOCCSCCCC(=O)NC 62a_100000741757_100000743108 [0,2,0,0,0,0|2,0,0]=4 14826 B14R0.337 CCCCOCCSCCCC(=O)NC 62a_100000743108_100000741757 [0,2,0,0,0,0|2,0,0]=4 14827 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100000743108_100011218270 [0,2,0,0,0,0|2,0,0]=4 14828 B14R0.337 CCCCOCCSCCCC(=O)OC 62a_100011218270_100000743108 [0,2,0,0,0,0|2,0,0]=4 14829 B14R0.337 CCCCOCOCCCCC(=O)OC 34a_100000059025_100011995733 [0,2,0,0,0,0|2,0,0]=4 14830 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100000204269_100011995733 [0,2,0,0,0,0|2,0,0]=4 14831 B14R0.337 CCCCOCSCCCCC(=O)OC 62a_100011995733_100000204269 [0,2,0,0,0,0|2,0,0]=4 14832 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100000210211_100009815986 [0,2,0,0,0,0|1,0,0]=3 14833 B14R0.337 CCCCSCCCCCCC(=O)OC 62a_100009815986_100000210210 [0,2,0,0,0,0|1,0,0]=3 14834 B14R0.337 CCCCSCCNCCCC(=O)NC 2230a_100025743550_100000741757 [0,2,0,0,0,0|2,0,0]=4 14835 B14R0.337 CCCCSCCNCCCC(=O)OC 2230a_100025743550_100011218270 [0,2,0,0,0,0|2,0,0]=4 14836 B14R0.337 CCCCSCCOCCCC(=O)NC 34a_200000230436_100000741757 [0,2,0,0,0,0|2,0,0]=4 14837 B14R0.337 CCCCSCCOCCCC(=O)NC 7a_200000230436_100000741757 [0,2,0,0,0,0|2,0,0]=4 14838 B14R0.337 CCCCSCCOCCCC(=O)OC 34a_200000230436_100000742333 [0,2,0,0,0,0|2,0,0]=4 14839 B14R0.337 CCCCSCCOCCCC(=O)OC 7a_200000230436_100011218270 [0,2,0,0,0,0|2,0,0]=4 14840 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100000210258_100010004213 [0,2,0,0,0,0|1,0,0]=3 14841 B14R0.337 CCCOCCCCCCCC(=O)OC 34a_100011022521_100000210303 [0,2,0,0,0,0|1,0,0]=3 14842 B14R0.337 CCCOCCCCCCCC(=O)OC 7a_100011022521_100000210303 [0,2,0,0,0,0|1,0,0]=3 14843 B14R0.337 CCCOCCCNCCCC(=O)NC 2230a_100011217757_100000741757 [0,2,0,0,0,0|2,0,0]=4 14844 B14R0.337 CCCOCCCNCCCC(=O)NC 34a_100011217757_100000741757 [0,2,0,0,0,0|2,0,0]=4 14845 B14R0.337 CCCOCCCNCCCC(=O)OC 2230a_100011217757_100011218270 [0,2,0,0,0,0|2,0,0]=4 14846 B14R0.337 CCCOCCCNCCCC(=O)OC 34a_100011217757_100000742333 [0,2,0,0,0,0|2,0,0]=4 14847 B14R0.337 CCCOCCNCCCCC(=O)OC 2230a_100161115042_100000204269 [0,2,0,0,0,0|2,0,0]=4 14848 B14R0.337 CCCOCCNCCCCC(=O)OC 34a_100161115042_100000204269 [0,2,0,0,0,0|2,0,0]=4 14849 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000059025_100011215938 [0,2,0,0,0,0|2,0,0]=4 14850 B14R0.337 CCCOCCOCCCCC(=O)OC 34a_100000752267_100000204269 [0,2,0,0,0,0|2,0,0]=4 14851 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000059025_100011215938 [0,2,0,0,0,0|2,0,0]=4 14852 B14R0.337 CCCOCCOCCCCC(=O)OC 7a_100000752267_100000204269 [0,2,0,0,0,0|2,0,0]=4 14853 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100000204269_100011215938 [0,2,0,0,0,0|2,0,0]=4 14854 B14R0.337 CCCOCCSCCCCC(=O)OC 62a_100011215938_100000204269 [0,2,0,0,0,0|2,0,0]=4 14855 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100000210303_100010004213 [0,2,0,0,0,0|1,0,0]=3 14856 B14R0.337 CCCSCCCCCCCC(=O)OC 62a_100010004213_100000210303 [0,2,0,0,0,0|1,0,0]=3 14857 B14R0.337 CCCSCCNCCCCC(=O)OC 2230a_100020603323_100000204269 [0,2,0,0,0,0|2,0,0]=4 14858 B14R0.337 CCCSCCOCCCCC(=O)OC 34a_200000230433_100000204269 [0,2,0,0,0,0|2,0,0]=4 14859 B14R0.337 CCCSCCOCCCCC(=O)OC 7a_200000230433_100000204269 [0,2,0,0,0,0|2,0,0]=4 14860 B14R0.337 CCN(C)CCCCCCCCCCO 2230a_100000225621_100009813290 [0,2,0,0,0,0|0,0,2]=4 14861 B14R0.337 CCN(C)CCCCCCCCCCO 269982a_100000225621_100009813290 [0,2,0,0,0,0|0,0,2]=4 14862 B14R0.337 CCN(C)CCCSCCCCCC=O 62a_100000139337_100015186262 [0,2,0,0,0,0|1,0,0]=3 14863 B14R0.337 CCNCCCCCCCCC(=O)OC 2230a_100015525214_100010282707 [0,2,0,0,0,0|1,0,0]=3 14864 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100000035544_100000210202 [0,2,0,0,0,0|1,0,0]=3 14865 B14R0.337 CCOCCCCCCCCC(=O)OC 34a_100121572206_100010282707 [0,2,0,0,0,0|1,0,0]=3 14866 B14R0.337 CCOCCCCCCCCC(=O)OC 7a_100000035544_100000210202 [0,2,0,0,0,0|1,0,0]=3 14867 B14R0.337 CCOCCCNCCCCC(=O)OC 2230a_100000210961_100000204269 [0,2,0,0,0,0|2,0,0]=4 14868 B14R0.337 CCOCCCNCCCCC(=O)OC 34a_100000210961_100000204269 [0,2,0,0,0,0|2,0,0]=4 14869 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000059025_100012232248 [0,2,0,0,0,0|2,0,0]=4 14870 B14R0.337 CCOCCCOCCCCC(=O)OC 34a_100000757476_100000204269 [0,2,0,0,0,0|2,0,0]=4 14871 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000059025_100012232248 [0,2,0,0,0,0|2,0,0]=4 14872 B14R0.337 CCOCCCOCCCCC(=O)OC 7a_100000757476_100000204269 [0,2,0,0,0,0|2,0,0]=4 14873 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100000204269_100012232248 [0,2,0,0,0,0|2,0,0]=4 14874 B14R0.337 CCOCCCSCCCCC(=O)OC 62a_100012232248_100000204269 [0,2,0,0,0,0|2,0,0]=4 14875 B14R0.337 CCOCCNCCCCCC(=O)OC 2230a_102516460346_100009816466 [0,2,0,0,0,0|2,0,0]=4 14876 B14R0.337 CCOCCNCCCCCC(=O)OC 34a_102516460346_100009816466 [0,2,0,0,0,0|2,0,0]=4 14877 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000074720_100000210147 [0,2,0,0,0,0|2,0,0]=4 14878 B14R0.337 CCOCCOCCCCCC(=O)OC 34a_100000210136_100009816466 [0,2,0,0,0,0|2,0,0]=4 14879 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000074720_100011215890 [0,2,0,0,0,0|2,0,0]=4 14880 B14R0.337 CCOCCOCCCCCC(=O)OC 7a_100000210136_100009816466 [0,2,0,0,0,0|2,0,0]=4 14881 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100000210147_100009816466 [0,2,0,0,0,0|2,0,0]=4 14882 B14R0.337 CCOCCSCCCCCC(=O)OC 62a_100009816466_100011215890 [0,2,0,0,0,0|2,0,0]=4 14883 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100000739092_100009815986 [0,2,0,0,0,0|2,0,0]=4 14884 B14R0.337 CCOCSCCCCCCC(=O)OC 62a_100009815986_100000739092 [0,2,0,0,0,0|2,0,0]=4 14885 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100000210202_100010282707 [0,2,0,0,0,0|1,0,0]=3 14886 B14R0.337 CCSCCCCCCCCC(=O)OC 62a_100010282707_100000210202 [0,2,0,0,0,0|1,0,0]=3 14887 B14R0.337 CCSCCCOCCCCC(=O)OC 34a_100011216438_100000204269 [0,2,0,0,0,0|2,0,0]=4 14888 B14R0.337 CCSCCCOCCCCC(=O)OC 7a_100011216438_100000204269 [0,2,0,0,0,0|2,0,0]=4 14889 B14R0.337 CCSCCNCCCCCC(=O)OC 2230a_100000106463_100009816466 [0,2,0,0,0,0|2,0,0]=4 14890 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000074720_100000757381 [0,2,0,0,0,0|2,0,0]=4 14891 B14R0.337 CCSCCOCCCCCC(=O)OC 34a_100000212035_100009816466 [0,2,0,0,0,0|2,0,0]=4 14892 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000074720_100000757381 [0,2,0,0,0,0|2,0,0]=4 14893 B14R0.337 CCSCCOCCCCCC(=O)OC 7a_100000212035_100009816466 [0,2,0,0,0,0|2,0,0]=4 14894 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100000757381_100009816466 [0,2,0,0,0,0|2,0,0]=4 14895 B14R0.337 CCSCCSCCCCCC(=O)OC 62a_100009816466_100000757381 [0,2,0,0,0,0|2,0,0]=4 14896 B14R0.337 CC[C@H](C)CNCCCCCCCCO 2230a_102515433106_100009816398 [0,2,0,0,0,0|0,0,2]=4 14897 B14R0.337 CC[C@H](C)CNCCCCCCCCO 34a_102515433106_100009816398 [0,2,0,0,0,0|0,0,2]=4 14898 B14R0.337 CC[C@H](C)COCCCCCCCCBr 34a_100009813846_100009816398 [0,2,0,0,0,0|1,0,1]=4 14899 B14R0.337 CC[C@H](C)COCCCCCCCCBr 7a_100009813846_100009816398 [0,2,0,0,0,0|1,0,1]=4 14900 B14R0.337 CC[C@H](C)COCCCCCCCCCl 34a_100000033203_100009816398 [0,2,0,0,0,0|1,0,1]=4 14901 B14R0.337 CC[C@H](C)COCCCCCCCCCl 7a_100000033203_100009816398 [0,2,0,0,0,0|1,0,1]=4 14902 B14R0.337 CC[C@H](C)COCCCCCCCCN 34a_102515433106_100009816398 [0,2,0,0,0,0|1,0,1]=4 14903 B14R0.337 CC[C@H](C)COCCCCCCCCO 7a_100009816381_100000033203 [0,2,0,0,0,0|0,0,2]=4 14904 B14R0.337 CC[C@H](C)CSCCCCCCCCO 62a_100000033203_100009816398 [0,2,0,0,0,0|0,0,2]=4 14905 B14R0.337 CC[C@H](C)CSCCCCCCCCO 62a_100009816398_100000033203 [0,2,0,0,0,0|0,0,2]=4 14906 B14R0.337 CNC(=O)CCCCCCCCCCO 240690a_100102657272_200000016029 [0,2,0,0,0,0|1,0,0]=3 14907 B14R0.337 CNC(=O)CCCNCCCCCC=O 2230a_100000740002_100000139337 [0,2,0,0,0,0|1,0,1]=4 14908 B14R0.337 CNC(=O)CCCNCCCCCCF 2230a_100000740002_100015922095 [0,2,0,0,0,0|2,0,0]=4 14909 B14R0.337 CNC(=O)CCCNCCCCCCF 34a_100000740002_100015922095 [0,2,0,0,0,0|2,0,0]=4 14910 B14R0.337 CNC(=O)CCCNCCCCCCO 2230a_100000686447_100000741757 [0,2,0,0,0,0|2,0,0]=4 14911 B14R0.337 CNC(=O)CCCNCCCCCCO 2230a_100000740002_100000766143 [0,2,0,0,0,0|2,0,0]=4 14912 B14R0.337 CNC(=O)CCCNCCCCCCO 34a_100000686447_100000741757 [0,2,0,0,0,0|2,0,0]=4 14913 B14R0.337 CNC(=O)CCCNCCCCCCO 34a_100000740002_100000766143 [0,2,0,0,0,0|2,0,0]=4 14914 B14R0.337 CNC(=O)CCCNCCCCCOC 2230a_100000747528_100000741757 [0,2,0,0,0,0|2,0,0]=4 14915 B14R0.337 CNC(=O)CCCNCCCCCOC 34a_100000747528_100000741757 [0,2,0,0,0,0|2,0,0]=4 14916 B14R0.337 CNC(=O)CCCOCCCCCCBr 34a_100011215345_100000741757 [0,2,0,0,0,0|2,0,0]=4 14917 B14R0.337 CNC(=O)CCCOCCCCCCBr 7a_100011215345_100000741757 [0,2,0,0,0,0|2,0,0]=4 14918 B14R0.337 CNC(=O)CCCOCCCCCCCl 34a_100000766143_100000741757 [0,2,0,0,0,0|2,0,0]=4 14919 B14R0.337 CNC(=O)CCCOCCCCCCCl 7a_100000766143_100000741757 [0,2,0,0,0,0|2,0,0]=4 14920 B14R0.337 CNC(=O)CCCOCCCCCCF 34a_100000732779_100000741757 [0,2,0,0,0,0|2,0,0]=4 14921 B14R0.337 CNC(=O)CCCOCCCCCCF 7a_100000732779_100000741757 [0,2,0,0,0,0|2,0,0]=4 14922 B14R0.337 CNC(=O)CCCOCCCCCCN 34a_100000686447_100000741757 [0,2,0,0,0,0|2,0,0]=4 14923 B14R0.337 CNC(=O)CCCSCCCCCC=O 62a_100000139337_100000741757 [0,2,0,0,0,0|1,0,1]=4 14924 B14R0.337 CNC(=O)CCCSCCCCCC=O 62a_100000741757_100000139337 [0,2,0,0,0,0|1,0,1]=4 14925 B14R0.337 CNC(=O)CCCSCCCCCCF 62a_100000741757_100015922095 [0,2,0,0,0,0|2,0,0]=4 14926 B14R0.337 CNC(=O)CCCSCCCCCCF 62a_100015922095_100000741757 [0,2,0,0,0,0|2,0,0]=4 14927 B14R0.337 CNC(=O)CCCSCCCCCCO 62a_100000741757_100000766143 [0,2,0,0,0,0|2,0,0]=4 14928 B14R0.337 CNC(=O)CCCSCCCCCCO 62a_100000766143_100000741757 [0,2,0,0,0,0|2,0,0]=4 14929 B14R0.337 CNC(=O)CCNCCCCCCCO 2230a_100000738227_100000760002 [0,2,0,0,0,0|2,0,0]=4 14930 B14R0.337 CNC(=O)CCNCCCCCCCO 2230a_100011996573_100000737683 [0,2,0,0,0,0|2,0,0]=4 14931 B14R0.337 CNC(=O)CCNCCCCCCCO 34a_100000738227_100000760002 [0,2,0,0,0,0|2,0,0]=4 14932 B14R0.337 CNC(=O)CCNCCCCCCCO 34a_100011996573_100012179268 [0,2,0,0,0,0|2,0,0]=4 14933 B14R0.337 CNC(=O)CCNCCCCCCOC 2230a_100000738227_100011998445 [0,2,0,0,0,0|2,0,0]=4 14934 B14R0.337 CNC(=O)CCNCCCCCCOC 34a_100000738227_100011998445 [0,2,0,0,0,0|2,0,0]=4 14935 B14R0.337 CNC(=O)CCOCCCCCCCBr 34a_100000760002_100012179268 [0,2,0,0,0,0|2,0,0]=4 14936 B14R0.337 CNC(=O)CCOCCCCCCCBr 7a_100000760002_100000737683 [0,2,0,0,0,0|2,0,0]=4 14937 B14R0.337 CNC(=O)CCOCCCCCCCN 34a_100011996573_100012179268 [0,2,0,0,0,0|2,0,0]=4 14938 B14R0.337 CNC(=O)CCOCCCCCCCO 34a_100000754576_100000760002 [0,2,0,0,0,0|2,0,0]=4 14939 B14R0.337 CNC(=O)CCOCCCCCCOC 34a_100000754576_100011998445 [0,2,0,0,0,0|2,0,0]=4 14940 B14R0.337 CNC(=O)CCOCCCCCCOC 34a_200012092642_100012179268 [0,2,0,0,0,0|2,0,0]=4 14941 B14R0.337 CNC(=O)CCOCCCCCCOC 7a_200012092642_100000737683 [0,2,0,0,0,0|2,0,0]=4 14942 B14R0.337 CNC(=O)CCSCCCCCCCO 62a_100000737683_100000760002 [0,2,0,0,0,0|2,0,0]=4 14943 B14R0.337 CNC(=O)CCSCCCCCCCO 62a_100000760002_100000737683 [0,2,0,0,0,0|2,0,0]=4 14944 B14R0.337 CNC(=O)CCSCCCCCCOC 62a_100000737683_100011998445 [0,2,0,0,0,0|2,0,0]=4 14945 B14R0.337 CNC(=O)CCSCCCCCCOC 62a_100011998445_100000737683 [0,2,0,0,0,0|2,0,0]=4 14946 B14R0.337 CNC(=O)CNCCCCCCCCO 2230a_100000693194_100000033203 [0,2,0,0,0,0|2,0,0]=4 14947 B14R0.337 CNC(=O)CNCCCCCCCCO 2230a_102515433106_100000183359 [0,2,0,0,0,0|2,0,0]=4 14948 B14R0.337 CNC(=O)CNCCCCCCCCO 34a_102515433106_100000183359 [0,2,0,0,0,0|2,0,0]=4 14949 B14R0.337 CNC(=O)COCCCCCCCCBr 34a_100009813846_100000183359 [0,2,0,0,0,0|2,0,0]=4 14950 B14R0.337 CNC(=O)COCCCCCCCCBr 7a_100009813846_100000183359 [0,2,0,0,0,0|2,0,0]=4 14951 B14R0.337 CNC(=O)COCCCCCCCCCl 34a_100000033203_100000183359 [0,2,0,0,0,0|2,0,0]=4 14952 B14R0.337 CNC(=O)COCCCCCCCCCl 7a_100000033203_100000183359 [0,2,0,0,0,0|2,0,0]=4 14953 B14R0.337 CNC(=O)COCCCCCCCCN 34a_102515433106_100000183359 [0,2,0,0,0,0|2,0,0]=4 14954 B14R0.337 CNC(=O)COCCCCCCCCO 34a_100000750040_100000033203 [0,2,0,0,0,0|2,0,0]=4 14955 B14R0.337 CNC(=O)CSCCCCCCCCO 62a_100000033203_100000183359 [0,2,0,0,0,0|2,0,0]=4 14956 B14R0.337 CNC(=O)CSCCCCCCCCO 62a_100000183359_100000033203 [0,2,0,0,0,0|2,0,0]=4 14957 B14R0.337 CNC(=O)NCCCCCCCCCO 2708a_100000078944_106832991635 [0,2,0,0,0,0|2,0,0]=4 14958 B14R0.337 CNC(=O)NCCCCCCCCCO 2708a_100102657272_100000078944 [0,2,0,0,0,0|2,0,0]=4 14959 B14R0.337 CNC(=O)NCCCCCCCCCO 273464a_100000078944_100102657272 [0,2,0,0,0,0|2,0,0]=4 14960 B14R0.337 CNC(=O)NCCCCCCCCCO 273464a_100102657272_100000078944 [0,2,0,0,0,0|2,0,0]=4 14961 B14R0.337 CNC(=O)NCCCCCCCCCO 512a_100000078944_100102657272 [0,2,0,0,0,0|2,0,0]=4 14962 B14R0.337 CNC(=O)NCCCCCCCCCO 512a_106832991638_100000078944 [0,2,0,0,0,0|2,0,0]=4 14963 B14R0.337 CNCCCCCCCCCC(=O)OC 2230a_106832991635_100009813843 [0,2,0,0,0,0|1,0,0]=3 14964 B14R0.337 CNCCCCCCCCCC(=O)OC 34a_100102657272_100009813843 [0,2,0,0,0,0|1,0,0]=3 14965 B14R0.337 CNCCCCCCCCCC(=O)OC 7a_106832991635_100009813843 [0,2,0,0,0,0|1,0,0]=3 14966 B14R0.337 CNCCCCCOCCCC(=O)NC 34a_100000722520_100000741757 [0,2,0,0,0,0|2,0,0]=4 14967 B14R0.337 CNCCCCCOCCCC(=O)OC 34a_100000722520_100000742333 [0,2,0,0,0,0|2,0,0]=4 14968 B14R0.337 CNCCCOCCCCCC(=O)OC 34a_100000213112_100009816466 [0,2,0,0,0,0|2,0,0]=4 14969 B14R0.337 COC(=O)CCCCCCCCCSC 62a_200000210301_100009813843 [0,2,0,0,0,0|1,0,0]=3 14970 B14R0.337 COC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009813843 [0,2,0,0,0,0|1,0,0]=3 14971 B14R0.337 COC(=O)CCCCCCCCOCF 34a_100000035544_100015361967 [0,2,0,0,0,0|2,0,0]=4 14972 B14R0.337 COC(=O)CCCCCCCCOCF 7a_100000035544_100015361967 [0,2,0,0,0,0|2,0,0]=4 14973 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100010282707_100015361967 [0,2,0,0,0,0|2,0,0]=4 14974 B14R0.337 COC(=O)CCCCCCCCSCF 62a_100015361967_100010282707 [0,2,0,0,0,0|2,0,0]=4 14975 B14R0.337 COC(=O)CCCCCCCNCCF 34a_100000724931_100010004213 [0,2,0,0,0,0|2,0,0]=4 14976 B14R0.337 COC(=O)CCCCCCCNCCO 2230a_100016997473_100010004213 [0,2,0,0,0,0|2,0,0]=4 14977 B14R0.337 COC(=O)CCCCCCCNCCO 34a_100016990907_100010004213 [0,2,0,0,0,0|2,0,0]=4 14978 B14R0.337 COC(=O)CCCCCCCOCC=O 34a_100011022521_200009817547 [0,2,0,0,0,0|1,0,1]=4 14979 B14R0.337 COC(=O)CCCCCCCOCC=O 7a_100011022521_200015260668 [0,2,0,0,0,0|1,0,1]=4 14980 B14R0.337 COC(=O)CCCCCCCOCCBr 34a_100000211926_100010004213 [0,2,0,0,0,0|2,0,0]=4 14981 B14R0.337 COC(=O)CCCCCCCOCCF 34a_100011022521_100011217306 [0,2,0,0,0,0|2,0,0]=4 14982 B14R0.337 COC(=O)CCCCCCCOCCF 7a_100011022521_100011217306 [0,2,0,0,0,0|2,0,0]=4 14983 B14R0.337 COC(=O)CCCCCCCOCCN 34a_100000210304_100010004213 [0,2,0,0,0,0|2,0,0]=4 14984 B14R0.337 COC(=O)CCCCCCCOCCO 34a_100011022521_100000211926 [0,2,0,0,0,0|2,0,0]=4 14985 B14R0.337 COC(=O)CCCCCCCOCCO 7a_100011022521_100000211926 [0,2,0,0,0,0|2,0,0]=4 14986 B14R0.337 COC(=O)CCCCCCCOCSC 34a_100011022521_100011218213 [0,2,0,0,0,0|2,0,0]=4 14987 B14R0.337 COC(=O)CCCCCCCSCC=O 62a_100010004213_200015260668 [0,2,0,0,0,0|1,0,1]=4 14988 B14R0.337 COC(=O)CCCCCCCSCC=O 62a_200015260668_100010004213 [0,2,0,0,0,0|1,0,1]=4 14989 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100010004213_100011217306 [0,2,0,0,0,0|2,0,0]=4 14990 B14R0.337 COC(=O)CCCCCCCSCCF 62a_100011217306_100010004213 [0,2,0,0,0,0|2,0,0]=4 14991 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100000211926_100010004213 [0,2,0,0,0,0|2,0,0]=4 14992 B14R0.337 COC(=O)CCCCCCCSCCO 62a_100010004213_100000211926 [0,2,0,0,0,0|2,0,0]=4 14993 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100010004213_100011218213 [0,2,0,0,0,0|2,0,0]=4 14994 B14R0.337 COC(=O)CCCCCCCSCSC 62a_100011218213_100010004213 [0,2,0,0,0,0|2,0,0]=4 14995 B14R0.337 COC(=O)CCCCCCNCCCF 2230a_100015189416_100009815986 [0,2,0,0,0,0|2,0,0]=4 14996 B14R0.337 COC(=O)CCCCCCNCCCF 34a_100015189416_100009815986 [0,2,0,0,0,0|2,0,0]=4 14997 B14R0.337 COC(=O)CCCCCCNCCSC 2230a_100020590264_100009815986 [0,2,0,0,0,0|2,0,0]=4 14998 B14R0.337 COC(=O)CCCCCCOCCCBr 34a_100011217188_100009815986 [0,2,0,0,0,0|2,0,0]=4 14999 B14R0.337 COC(=O)CCCCCCOCCCCl 34a_100000230001_100009815986 [0,2,0,0,0,0|2,0,0]=4 15000 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100000759539_100009815986 [0,2,0,0,0,0|2,0,0]=4 15001 B14R0.337 COC(=O)CCCCCCOCCCF 34a_100009863599_100011934791 [0,2,0,0,0,0|2,0,0]=4 15002 B14R0.337 COC(=O)CCCCCCOCCCF 7a_100009863599_100011934791 [0,2,0,0,0,0|2,0,0]=4 15003 B14R0.337 COC(=O)CCCCCCOCCCN 34a_100000182051_100009815986 [0,2,0,0,0,0|2,0,0]=4 15004 B14R0.337 COC(=O)CCCCCCOCCCO 34a_100009863599_100000230001 [0,2,0,0,0,0|2,0,0]=4 15005 B14R0.337 COC(=O)CCCCCCOCCCO 7a_100009863599_100011215043 [0,2,0,0,0,0|2,0,0]=4 15006 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100000230434_100009815986 [0,2,0,0,0,0|2,0,0]=4 15007 B14R0.337 COC(=O)CCCCCCOCCSC 34a_100009863599_100000212216 [0,2,0,0,0,0|2,0,0]=4 15008 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100000230434_100009815986 [0,2,0,0,0,0|2,0,0]=4 15009 B14R0.337 COC(=O)CCCCCCOCCSC 7a_100009863599_100000212216 [0,2,0,0,0,0|2,0,0]=4 15010 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100009815986_100011934791 [0,2,0,0,0,0|2,0,0]=4 15011 B14R0.337 COC(=O)CCCCCCSCCCF 62a_100011934791_100009815986 [0,2,0,0,0,0|2,0,0]=4 15012 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100009815986_100011215043 [0,2,0,0,0,0|2,0,0]=4 15013 B14R0.337 COC(=O)CCCCCCSCCCO 62a_100011215043_100009815986 [0,2,0,0,0,0|2,0,0]=4 15014 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100000212216_100009815986 [0,2,0,0,0,0|2,0,0]=4 15015 B14R0.337 COC(=O)CCCCCCSCCSC 62a_100009815986_100000751147 [0,2,0,0,0,0|2,0,0]=4 15016 B14R0.337 COC(=O)CCCCCNCCCCO 2230a_100000750430_100009816466 [0,2,0,0,0,0|2,0,0]=4 15017 B14R0.337 COC(=O)CCCCCNCCCCO 34a_100000750430_100009816466 [0,2,0,0,0,0|2,0,0]=4 15018 B14R0.337 COC(=O)CCCCCNCCCSC 2230a_100000749238_100009816466 [0,2,0,0,0,0|2,0,0]=4 15019 B14R0.337 COC(=O)CCCCCOCCCC=O 7a_100000074720_200011292268 [0,2,0,0,0,0|1,0,1]=4 15020 B14R0.337 COC(=O)CCCCCOCCCCBr 34a_100011216708_100009816466 [0,2,0,0,0,0|2,0,0]=4 15021 B14R0.337 COC(=O)CCCCCOCCCCCl 34a_100000210776_100009816466 [0,2,0,0,0,0|2,0,0]=4 15022 B14R0.337 COC(=O)CCCCCOCCCCCl 7a_100000210776_100009816466 [0,2,0,0,0,0|2,0,0]=4 15023 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100000074720_100000729493 [0,2,0,0,0,0|2,0,0]=4 15024 B14R0.337 COC(=O)CCCCCOCCCCF 34a_100011995726_100009816466 [0,2,0,0,0,0|2,0,0]=4 15025 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100000074720_100000729493 [0,2,0,0,0,0|2,0,0]=4 15026 B14R0.337 COC(=O)CCCCCOCCCCF 7a_100011995726_100009816466 [0,2,0,0,0,0|2,0,0]=4 15027 B14R0.337 COC(=O)CCCCCOCCCCI 34a_200012148704_100009816466 [0,2,0,0,0,0|2,0,0]=4 15028 B14R0.337 COC(=O)CCCCCOCCCCN 34a_100000750430_100009816466 [0,2,0,0,0,0|2,0,0]=4 15029 B14R0.337 COC(=O)CCCCCOCCCCO 34a_100000074720_100011216708 [0,2,0,0,0,0|2,0,0]=4 15030 B14R0.337 COC(=O)CCCCCOCCCCO 7a_100000074720_100000210776 [0,2,0,0,0,0|2,0,0]=4 15031 B14R0.337 COC(=O)CCCCCOCCCSC 34a_100000690336_100009816466 [0,2,0,0,0,0|2,0,0]=4 15032 B14R0.337 COC(=O)CCCCCOCCCSC 7a_100000690336_100009816466 [0,2,0,0,0,0|2,0,0]=4 15033 B14R0.337 COC(=O)CCCCCSCCCC=O 62a_100009816466_200011292268 [0,2,0,0,0,0|1,0,1]=4 15034 B14R0.337 COC(=O)CCCCCSCCCC=O 62a_200011292268_100009816466 [0,2,0,0,0,0|1,0,1]=4 15035 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100000729493_100009816466 [0,2,0,0,0,0|2,0,0]=4 15036 B14R0.337 COC(=O)CCCCCSCCCCF 62a_100009816466_100000729493 [0,2,0,0,0,0|2,0,0]=4 15037 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100000210776_100009816466 [0,2,0,0,0,0|2,0,0]=4 15038 B14R0.337 COC(=O)CCCCCSCCCCO 62a_100009816466_100000210776 [0,2,0,0,0,0|2,0,0]=4 15039 B14R0.337 COC(=O)CCCCNCCCCCO 2230a_100000762737_100000204269 [0,2,0,0,0,0|2,0,0]=4 15040 B14R0.337 COC(=O)CCCCNCCCCCO 34a_100000762737_100000204269 [0,2,0,0,0,0|2,0,0]=4 15041 B14R0.337 COC(=O)CCCCOCCCCC=O 7a_100000059025_100000139335 [0,2,0,0,0,0|1,0,1]=4 15042 B14R0.337 COC(=O)CCCCOCCCCCBr 34a_100000746331_100000204269 [0,2,0,0,0,0|2,0,0]=4 15043 B14R0.337 COC(=O)CCCCOCCCCCBr 7a_100000746331_100000204269 [0,2,0,0,0,0|2,0,0]=4 15044 B14R0.337 COC(=O)CCCCOCCCCCCl 34a_100000746330_100000204269 [0,2,0,0,0,0|2,0,0]=4 15045 B14R0.337 COC(=O)CCCCOCCCCCCl 7a_100000746330_100000204269 [0,2,0,0,0,0|2,0,0]=4 15046 B14R0.337 COC(=O)CCCCOCCCCCF 34a_100000059025_100000729378 [0,2,0,0,0,0|2,0,0]=4 15047 B14R0.337 COC(=O)CCCCOCCCCCF 7a_100000059025_100000729378 [0,2,0,0,0,0|2,0,0]=4 15048 B14R0.337 COC(=O)CCCCOCCCCCI 34a_200012148887_100000204269 [0,2,0,0,0,0|2,0,0]=4 15049 B14R0.337 COC(=O)CCCCOCCCCCI 7a_200012148887_100000204269 [0,2,0,0,0,0|2,0,0]=4 15050 B14R0.337 COC(=O)CCCCOCCCCCN 34a_100000762737_100000204269 [0,2,0,0,0,0|2,0,0]=4 15051 B14R0.337 COC(=O)CCCCOCCCCCO 34a_100000059025_100000746330 [0,2,0,0,0,0|2,0,0]=4 15052 B14R0.337 COC(=O)CCCCOCCCCCO 7a_100000059025_100000746330 [0,2,0,0,0,0|2,0,0]=4 15053 B14R0.337 COC(=O)CCCCOCCCCSC 34a_100011217163_100000204269 [0,2,0,0,0,0|2,0,0]=4 15054 B14R0.337 COC(=O)CCCCOCCCCSC 7a_100011217163_100000204269 [0,2,0,0,0,0|2,0,0]=4 15055 B14R0.337 COC(=O)CCCCSCCCCC=O 62a_100000139335_100000204269 [0,2,0,0,0,0|1,0,1]=4 15056 B14R0.337 COC(=O)CCCCSCCCCC=O 62a_100000204269_100000139335 [0,2,0,0,0,0|1,0,1]=4 15057 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000204269_100000729378 [0,2,0,0,0,0|2,0,0]=4 15058 B14R0.337 COC(=O)CCCCSCCCCCF 62a_100000729378_100000204269 [0,2,0,0,0,0|2,0,0]=4 15059 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000204269_100000746330 [0,2,0,0,0,0|2,0,0]=4 15060 B14R0.337 COC(=O)CCCCSCCCCCO 62a_100000746330_100000204269 [0,2,0,0,0,0|2,0,0]=4 15061 B14R0.337 COC(=O)CCCNCCCCCCO 2230a_100000686447_100011218270 [0,2,0,0,0,0|2,0,0]=4 15062 B14R0.337 COC(=O)CCCNCCCCCCO 34a_100000686447_100000742333 [0,2,0,0,0,0|2,0,0]=4 15063 B14R0.337 COC(=O)CCCOCCCCCCBr 34a_100011215345_100000742333 [0,2,0,0,0,0|2,0,0]=4 15064 B14R0.337 COC(=O)CCCOCCCCCCBr 7a_100011215345_100011218270 [0,2,0,0,0,0|2,0,0]=4 15065 B14R0.337 COC(=O)CCCOCCCCCCCl 34a_100000766143_100000742333 [0,2,0,0,0,0|2,0,0]=4 15066 B14R0.337 COC(=O)CCCOCCCCCCCl 7a_100000766143_100011218270 [0,2,0,0,0,0|2,0,0]=4 15067 B14R0.337 COC(=O)CCCOCCCCCCF 34a_100000732779_100000742333 [0,2,0,0,0,0|2,0,0]=4 15068 B14R0.337 COC(=O)CCCOCCCCCCF 7a_100000732779_100011218270 [0,2,0,0,0,0|2,0,0]=4 15069 B14R0.337 COC(=O)CCCOCCCCCCN 34a_100000686447_100000742333 [0,2,0,0,0,0|2,0,0]=4 15070 B14R0.337 COC(=O)CCCSCCCCCC=O 62a_100000139337_100011218270 [0,2,0,0,0,0|1,0,1]=4 15071 B14R0.337 COC(=O)CCCSCCCCCC=O 62a_100011218270_100000139337 [0,2,0,0,0,0|1,0,1]=4 15072 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100011218270_100015922095 [0,2,0,0,0,0|2,0,0]=4 15073 B14R0.337 COC(=O)CCCSCCCCCCF 62a_100015922095_100011218270 [0,2,0,0,0,0|2,0,0]=4 15074 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100000766143_100011218270 [0,2,0,0,0,0|2,0,0]=4 15075 B14R0.337 COC(=O)CCCSCCCCCCO 62a_100011218270_100000766143 [0,2,0,0,0,0|2,0,0]=4 15076 B14R0.337 COC(=O)CCNCCCCCCCO 2230a_100011996573_100000204255 [0,2,0,0,0,0|2,0,0]=4 15077 B14R0.337 COC(=O)CCNCCCCCCCO 34a_100011996573_100000742370 [0,2,0,0,0,0|2,0,0]=4 15078 B14R0.337 COC(=O)CCOCCCCCCCBr 34a_100000760002_100000742370 [0,2,0,0,0,0|2,0,0]=4 15079 B14R0.337 COC(=O)CCOCCCCCCCBr 7a_100000760002_100000204255 [0,2,0,0,0,0|2,0,0]=4 15080 B14R0.337 COC(=O)CCOCCCCCCCN 34a_100011996573_100000742370 [0,2,0,0,0,0|2,0,0]=4 15081 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000204255_100000760002 [0,2,0,0,0,0|2,0,0]=4 15082 B14R0.337 COC(=O)CCSCCCCCCCO 62a_100000760002_100000204255 [0,2,0,0,0,0|2,0,0]=4 15083 B14R0.337 COC(=O)CNCCCCCCCCO 2230a_102515433106_100000747449 [0,2,0,0,0,0|2,0,0]=4 15084 B14R0.337 COC(=O)CNCCCCCCCCO 34a_102515433106_100000747449 [0,2,0,0,0,0|2,0,0]=4 15085 B14R0.337 COC(=O)COCCCCCCCCBr 34a_100009813846_100000747449 [0,2,0,0,0,0|2,0,0]=4 15086 B14R0.337 COC(=O)COCCCCCCCCBr 7a_100009813846_100000747449 [0,2,0,0,0,0|2,0,0]=4 15087 B14R0.337 COC(=O)COCCCCCCCCCl 34a_100000033203_100000747449 [0,2,0,0,0,0|2,0,0]=4 15088 B14R0.337 COC(=O)COCCCCCCCCCl 7a_100000033203_100000747449 [0,2,0,0,0,0|2,0,0]=4 15089 B14R0.337 COC(=O)COCCCCCCCCN 34a_102515433106_100000747449 [0,2,0,0,0,0|2,0,0]=4 15090 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000033203_100000747449 [0,2,0,0,0,0|2,0,0]=4 15091 B14R0.337 COC(=O)CSCCCCCCCCO 62a_100000747449_100000033203 [0,2,0,0,0,0|2,0,0]=4 15092 B14R0.337 COCCCCCCCCCC(=O)OC 34a_100138415774_100009813843 [0,2,0,0,0,0|1,0,0]=3 15093 B14R0.337 COCCCCCCOCCC(=O)OC 34a_200012092642_100000742370 [0,2,0,0,0,0|2,0,0]=4 15094 B14R0.337 COCCCCCCOCCC(=O)OC 7a_200012092642_100000204255 [0,2,0,0,0,0|2,0,0]=4 15095 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100000204255_100011998445 [0,2,0,0,0,0|2,0,0]=4 15096 B14R0.337 COCCCCCCSCCC(=O)OC 62a_100011998445_100000204255 [0,2,0,0,0,0|2,0,0]=4 15097 B14R0.337 COCCCCCNCCCC(=O)OC 2230a_100000747528_100011218270 [0,2,0,0,0,0|2,0,0]=4 15098 B14R0.337 COCCCCCNCCCC(=O)OC 34a_100000747528_100000742333 [0,2,0,0,0,0|2,0,0]=4 15099 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000059025_100000755781 [0,2,0,0,0,0|2,0,0]=4 15100 B14R0.337 COCCCCOCCCCC(=O)OC 34a_100000740925_100000204269 [0,2,0,0,0,0|2,0,0]=4 15101 B14R0.337 COCCCCOCCCCC(=O)OC 7a_100000059025_100000730899 [0,2,0,0,0,0|2,0,0]=4 15102 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000204269_100000730899 [0,2,0,0,0,0|2,0,0]=4 15103 B14R0.337 COCCCCSCCCCC(=O)OC 62a_100000730899_100000204269 [0,2,0,0,0,0|2,0,0]=4 15104 B14R0.337 COCCCNCCCCCC(=O)OC 34a_100150723488_100009816466 [0,2,0,0,0,0|2,0,0]=4 15105 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000074720_100000740836 [0,2,0,0,0,0|2,0,0]=4 15106 B14R0.337 COCCCOCCCCCC(=O)OC 34a_100000740835_100009816466 [0,2,0,0,0,0|2,0,0]=4 15107 B14R0.337 COCCCOCCCCCC(=O)OC 7a_100000074720_100000740836 [0,2,0,0,0,0|2,0,0]=4 15108 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100000709357_100009816466 [0,2,0,0,0,0|2,0,0]=4 15109 B14R0.337 COCCCSCCCCCC(=O)OC 62a_100009816466_100000709357 [0,2,0,0,0,0|2,0,0]=4 15110 B14R0.337 COCCNCCCCCCC(=O)OC 2230a_100000209980_100009815986 [0,2,0,0,0,0|2,0,0]=4 15111 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100000210237_100009815986 [0,2,0,0,0,0|2,0,0]=4 15112 B14R0.337 COCCOCCCCCCC(=O)OC 34a_100009863599_100011201679 [0,2,0,0,0,0|2,0,0]=4 15113 B14R0.337 COCCOCCCCCCC(=O)OC 7a_100009863599_100000233755 [0,2,0,0,0,0|2,0,0]=4 15114 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100000233755_100009815986 [0,2,0,0,0,0|2,0,0]=4 15115 B14R0.337 COCCSCCCCCCC(=O)OC 62a_100009815986_100000233755 [0,2,0,0,0,0|2,0,0]=4 15116 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100000766300_100010004213 [0,2,0,0,0,0|2,0,0]=4 15117 B14R0.337 COCSCCCCCCCC(=O)OC 62a_100010004213_100000766300 [0,2,0,0,0,0|2,0,0]=4 15118 B14R0.337 NNC(=O)CCCOCCCCCCF 34a_100000211488_100015922095 [0,2,0,0,0,0|2,0,0]=4 15119 B14R0.337 NNC(=O)CCCOCCCCCCO 34a_100000211488_100000766143 [0,2,0,0,0,0|2,0,0]=4 15120 B14R0.337 O=C(CO)CCCCCCCCCCO 1458a_100000210174_100009813290 [0,2,0,0,0,0|1,0,0]=3 15121 B14R0.337 O=C(CO)NCCCCCCCCCO 240690a_100000078944_100000210174 [0,2,0,0,0,0|2,0,0]=4 15122 B14R0.340 C=C(C)C(=O)CCCCCCCCCC 1458a_100000185857_100000210319 [0,2,0,0,0,0|1,0,1]=4 15123 B14R0.340 C=C(C)C(C)NCCCCCCCCC 269862a_100000212291_100011216138 [0,2,0,0,0,0|2,0,0]=4 15124 B14R0.340 C=CCCCCCCCCC(=O)C(C)C 1458a_100000210198_100011933949 [0,2,0,0,0,0|1,0,1]=4 15125 B14R0.340 C=CCCCCCCCCC(=O)C(C)C 1458a_100000211349_100000210206 [0,2,0,0,0,0|1,0,1]=4 15126 B14R0.340 C=CCCCCCCCCC(=O)C(C)F 1458a_100000062450_100011933949 [0,2,0,0,0,0|1,0,1]=4 15127 B14R0.340 C=CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011933949 [0,2,0,0,0,0|1,0,1]=4 15128 B14R0.340 C=CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011933949 [0,2,0,0,0,0|1,0,1]=4 15129 B14R0.340 C=CCCCCCCCCN(C)C(C)C 269982a_200000211004_100011933949 [0,2,0,0,0,0|2,0,0]=4 15130 B14R0.340 C=CCCCCCCCNC(C)C(C)C 2230a_100000211541_100012355270 [0,2,0,0,0,0|2,0,0]=4 15131 B14R0.340 C=CCCCCCCCOC(C)C(C)C 7a_100000748068_100012355270 [0,2,0,0,0,0|2,0,0]=4 15132 B14R0.340 C=CCCCCCCNCC(O)C(C)C 2230a_100000759067_100011215473 [0,2,0,0,0,0|2,0,0]=4 15133 B14R0.340 C=CCCCCCCNCC(O)C(C)C 34a_100000759067_100011215473 [0,2,0,0,0,0|2,0,0]=4 15134 B14R0.340 C=CCCCCCCOC[C@H](N)C(C)C 34a_100011830312_100011215473 [0,2,0,0,0,0|2,0,0]=4 15135 B14R0.340 C=CCCCCCOCCC(N)C(C)C 34a_100161115045_100000700193 [0,2,0,0,0,0|2,0,0]=4 15136 B14R0.340 CC(=O)C(C)COCCCCCCCO 34a_100000032740_100000760002 [0,2,0,0,0,0|2,0,0]=4 15137 B14R0.340 CC(=O)C(C)COCCCCCCCO 7a_100000032740_100000760002 [0,2,0,0,0,0|2,0,0]=4 15138 B14R0.340 CC(=O)C(C)NCCCCCCCCO 2230a_102515433106_100009814033 [0,2,0,0,0,0|2,0,0]=4 15139 B14R0.340 CC(=O)C(C)OCCCCCCCCBr 7a_100009813846_100000179758 [0,2,0,0,0,0|2,0,0]=4 15140 B14R0.340 CC(=O)C(C)OCCCCCCCCCl 7a_100000033203_100000179758 [0,2,0,0,0,0|2,0,0]=4 15141 B14R0.340 CC(=O)C(C)OCCCCCCCCO 34a_100000212229_100000033203 [0,2,0,0,0,0|2,0,0]=4 15142 B14R0.340 CC(=O)C(C)SCCCCCCCCO 62a_100000033203_100009814033 [0,2,0,0,0,0|2,0,0]=4 15143 B14R0.340 CC(=O)C(C)SCCCCCCCCO 62a_100009814033_100000033203 [0,2,0,0,0,0|2,0,0]=4 15144 B14R0.340 CC(CNCCCCCCCO)C(=O)O 269956a_100000749485_100000760002 [0,2,0,0,0,0|2,0,0]=4 15145 B14R0.340 CC(NCCCCCCCCO)C(=O)N 2230a_102515433106_100000702099 [0,2,0,0,0,0|2,0,0]=4 15146 B14R0.340 CC(NCCCCCCCCO)C(=O)N 34a_102515433106_100000702099 [0,2,0,0,0,0|2,0,0]=4 15147 B14R0.340 CC(OCCCCCCCCBr)C(=O)N 34a_100009813846_100000702099 [0,2,0,0,0,0|2,0,0]=4 15148 B14R0.340 CC(OCCCCCCCCBr)C(=O)N 7a_100009813846_100000702099 [0,2,0,0,0,0|2,0,0]=4 15149 B14R0.340 CC(OCCCCCCCCCl)C(=O)N 34a_100000033203_100000702099 [0,2,0,0,0,0|2,0,0]=4 15150 B14R0.340 CC(OCCCCCCCCCl)C(=O)N 7a_100000033203_100000702099 [0,2,0,0,0,0|2,0,0]=4 15151 B14R0.340 CC(OCCCCCCCCN)C(=O)N 34a_102515433106_100000702099 [0,2,0,0,0,0|2,0,0]=4 15152 B14R0.340 CC(SCCCCCCCCO)C(=O)N 62a_100000033203_100000702099 [0,2,0,0,0,0|2,0,0]=4 15153 B14R0.340 CC(SCCCCCCCCO)C(=O)N 62a_100000702099_100000033203 [0,2,0,0,0,0|2,0,0]=4 15154 B14R0.340 CCCCCCCCCCC(C)N(C)C 270004a_100102631434_200011219864 [0,2,0,0,0,0|2,0,0]=4 15155 B14R0.340 CCCCCCCCCCN(C)C(=O)C 11a_100000207566_100015343762 [0,2,0,0,0,0|1,0,0]=3 15156 B14R0.340 CCCCCCCCCCN(C)C(=O)C 1626a_100000207566_100015343762 [0,2,0,0,0,0|1,0,0]=3 15157 B14R0.340 CCCCCCCCCCN(C)C(=O)C 240690a_100000207566_100015343762 [0,2,0,0,0,0|1,0,0]=3 15158 B14R0.340 CCCCCCCCCCN(C)C(=O)C 527a_100000207566_100103153847 [0,2,0,0,0,0|1,0,0]=3 15159 B14R0.340 CCCCCCCCCNC(=O)C(=O)N 240690a_100000212291_100011215815 [0,2,0,0,0,0|1,0,1]=4 15160 B14R0.340 CCCCCCCCCNC(C)C(=O)C 2230a_100000212291_100009814033 [0,2,0,0,0,0|1,0,0]=3 15161 B14R0.340 CCCCCCCCCNC(C)C(=O)N 2230a_100000212291_100000702099 [0,2,0,0,0,0|1,0,0]=3 15162 B14R0.340 CCCCCCCCCNC(C)C(=O)N 34a_100000212291_100000702099 [0,2,0,0,0,0|1,0,0]=3 15163 B14R0.340 CCCCCCCCCNC(F)C(=O)N 2230a_100000212291_100009813875 [0,2,0,0,0,0|1,0,0]=3 15164 B14R0.340 CCCCCCCCCNC(F)C(=O)N 34a_100000212291_100009813875 [0,2,0,0,0,0|1,0,0]=3 15165 B14R0.340 CCCCCCCCCNC(F)C(=O)[O-] 34a_100000212291_100020610796 [0,2,0,0,0,0|1,0,0]=3 15166 B14R0.340 CCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210670 [0,2,0,0,0,0|1,0,0]=3 15167 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011214924 [0,2,0,0,0,0|1,0,0]=3 15168 B14R0.340 CCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011214924 [0,2,0,0,0,0|1,0,0]=3 15169 B14R0.340 CCCCCCCCCOC(C)C(=O)C 34a_100000212229_100011214924 [0,2,0,0,0,0|1,0,0]=3 15170 B14R0.340 CCCCCCCCCOC(C)C(=O)C 7a_100000210712_100000179758 [0,2,0,0,0,0|1,0,0]=3 15171 B14R0.340 CCCCCCCCCOC(C)C(=O)N 34a_100000210712_100000702099 [0,2,0,0,0,0|1,0,0]=3 15172 B14R0.340 CCCCCCCCCOC(C)C(=O)N 7a_100000210712_100000702099 [0,2,0,0,0,0|1,0,0]=3 15173 B14R0.340 CCCCCCCCCOC(F)C(=O)N 34a_100000210712_100009813875 [0,2,0,0,0,0|1,0,0]=3 15174 B14R0.340 CCCCCCCCCOC(F)C(=O)N 7a_100000210712_100009813875 [0,2,0,0,0,0|1,0,0]=3 15175 B14R0.340 CCCCCCCCCOC(F)C(=O)[O-] 34a_100000210712_100020610796 [0,2,0,0,0,0|1,0,0]=3 15176 B14R0.340 CCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210328 [0,2,0,0,0,0|1,0,0]=3 15177 B14R0.340 CCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011214924 [0,2,0,0,0,0|1,0,0]=3 15178 B14R0.340 CCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210328 [0,2,0,0,0,0|1,0,0]=3 15179 B14R0.340 CCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210670 [0,2,0,0,0,0|1,0,0]=3 15180 B14R0.340 CCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210670 [0,2,0,0,0,0|1,0,0]=3 15181 B14R0.340 CCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210670 [0,2,0,0,0,0|1,0,0]=3 15182 B14R0.340 CCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210670 [0,2,0,0,0,0|1,0,0]=3 15183 B14R0.340 CCCCCCCCNCC(=O)C(=O)C 34a_100000229939_100011261029 [0,2,0,0,0,0|1,0,1]=4 15184 B14R0.340 CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210759 [0,2,0,0,0,0|1,0,0]=3 15185 B14R0.340 CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210759 [0,2,0,0,0,0|1,0,0]=3 15186 B14R0.340 CCCCCCCCOCC(=O)C(=O)C 34a_100000210232_100011261029 [0,2,0,0,0,0|1,0,1]=4 15187 B14R0.340 CCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210759 [0,2,0,0,0,0|1,0,0]=3 15188 B14R0.340 CCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210759 [0,2,0,0,0,0|1,0,0]=3 15189 B14R0.340 CCCCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210759 [0,2,0,0,0,0|2,0,0]=4 15190 B14R0.340 CCCCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210759 [0,2,0,0,0,0|2,0,0]=4 15191 B14R0.340 CCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210759 [0,2,0,0,0,0|1,0,0]=3 15192 B14R0.340 CCCCCCCCSCC(=O)C(=O)C 62a_100000210759_100011261029 [0,2,0,0,0,0|1,0,1]=4 15193 B14R0.340 CCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210317 [0,2,0,0,0,0|1,0,1]=4 15194 B14R0.340 CCCCCCOCCOC(C)C(=O)C 7a_100000691444_100000179758 [0,2,0,0,0,0|2,0,0]=4 15195 B14R0.340 CCCCCCOCCOC(C)C(=O)N 34a_100000691444_100000702099 [0,2,0,0,0,0|2,0,0]=4 15196 B14R0.340 CCCCCCOCCOC(C)C(=O)N 7a_100000691444_100000702099 [0,2,0,0,0,0|2,0,0]=4 15197 B14R0.340 CCCCCCOCCOC(F)C(=O)N 34a_100000691444_100009813875 [0,2,0,0,0,0|2,0,0]=4 15198 B14R0.340 CCCCCCOCCOC(F)C(=O)N 7a_100000691444_100009813875 [0,2,0,0,0,0|2,0,0]=4 15199 B14R0.340 CCCCCCOCCOC(F)C(=O)[O-] 34a_100000691444_100020610796 [0,2,0,0,0,0|2,0,0]=4 15200 B14R0.340 CCCCNCCCCOC(C)C(=O)N 34a_200011216965_100000702099 [0,2,0,0,0,0|2,0,0]=4 15201 B14R0.340 CCCCNCCCCOC(F)C(=O)N 34a_200011216965_100009813875 [0,2,0,0,0,0|2,0,0]=4 15202 B14R0.340 CCCCNCCCCOC(F)C(=O)[O-] 34a_200011216965_100020610796 [0,2,0,0,0,0|2,0,0]=4 15203 B14R0.340 CCCCOCCCCOC(C)C(=O)C 7a_200000760531_100000179758 [0,2,0,0,0,0|2,0,0]=4 15204 B14R0.340 CCCCOCCCCOC(C)C(=O)N 34a_200000760531_100000702099 [0,2,0,0,0,0|2,0,0]=4 15205 B14R0.340 CCCCOCCCCOC(C)C(=O)N 7a_200000760531_100000702099 [0,2,0,0,0,0|2,0,0]=4 15206 B14R0.340 CCCCOCCCCOC(F)C(=O)N 34a_200000760531_100009813875 [0,2,0,0,0,0|2,0,0]=4 15207 B14R0.340 CCCCOCCCCOC(F)C(=O)N 7a_200000760531_100009813875 [0,2,0,0,0,0|2,0,0]=4 15208 B14R0.340 CCCCOCCCCOC(F)C(=O)[O-] 34a_200000760531_100020610796 [0,2,0,0,0,0|2,0,0]=4 15209 B14R0.340 COCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011998445 [0,2,0,0,0,0|2,0,0]=4 15210 B14R0.340 COCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011998445 [0,2,0,0,0,0|2,0,0]=4 15211 B14R0.340 COCCCCCCOCC(C)C(=O)C 34a_100000032740_100011998445 [0,2,0,0,0,0|2,0,0]=4 15212 B14R0.340 COCCCCCCOCC(C)C(=O)C 7a_100000032740_100011998445 [0,2,0,0,0,0|2,0,0]=4 15213 B14R0.340 COCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100011998445 [0,2,0,0,0,0|2,0,0]=4 15214 B14R0.340 C[C@@H](NCCCCCCCCO)C(=O)N 2230a_100000119354_100000033203 [0,2,0,0,0,0|2,0,0]=4 15215 B14R0.340 C[C@@H](NCCCCCCCCO)C(=O)N 34a_100000119354_100000033203 [0,2,0,0,0,0|2,0,0]=4 15216 B14R0.340 C[C@@H](OCCCCCCCCO)C(=O)N 34a_100000731257_100000033203 [0,2,0,0,0,0|2,0,0]=4 15217 B14R0.340 C[C@@H](OCCCCCCCCO)C(=O)N 7a_100000731257_100000033203 [0,2,0,0,0,0|2,0,0]=4 15218 B14R0.340 C[C@H](NCCCCCCCCO)C(=O)O 269956a_100000743915_100000033203 [0,2,0,0,0,0|2,0,0]=4 15219 B14R0.340 C[C@H](OCCCCCCCCO)C(=O)[O-] 7a_217856618621_100000033203 [0,2,0,0,0,0|2,0,0]=4 15220 B14R0.340 NC(=O)C(F)NCCCCCCCCO 2230a_102515433106_100009813875 [0,2,0,0,0,0|2,0,0]=4 15221 B14R0.340 NC(=O)C(F)NCCCCCCCCO 34a_102515433106_100009813875 [0,2,0,0,0,0|2,0,0]=4 15222 B14R0.340 NC(=O)C(F)OCCCCCCCCBr 34a_100009813846_100009813875 [0,2,0,0,0,0|2,0,0]=4 15223 B14R0.340 NC(=O)C(F)OCCCCCCCCBr 7a_100009813846_100009813875 [0,2,0,0,0,0|2,0,0]=4 15224 B14R0.340 NC(=O)C(F)OCCCCCCCCCl 34a_100000033203_100009813875 [0,2,0,0,0,0|2,0,0]=4 15225 B14R0.340 NC(=O)C(F)OCCCCCCCCCl 7a_100000033203_100009813875 [0,2,0,0,0,0|2,0,0]=4 15226 B14R0.340 NC(=O)C(F)SCCCCCCCCO 62a_100000033203_100009813875 [0,2,0,0,0,0|2,0,0]=4 15227 B14R0.340 NC(=O)C(F)SCCCCCCCCO 62a_100009813875_100000033203 [0,2,0,0,0,0|2,0,0]=4 15228 B14R0.340 NC(=O)[C@@H](N)COCCCCCCCO 34a_100000729942_100000760002 [0,2,0,0,0,0|2,0,0]=4 15229 B14R0.340 NCCCCCCCCOC(F)C(=O)N 34a_102515433106_100009813875 [0,2,0,0,0,0|2,0,0]=4 15230 B14R0.340 NCCCCCCCCOC(F)C(=O)[O-] 34a_102515433106_100020610796 [0,2,0,0,0,0|2,0,0]=4 15231 B14R0.340 O=C(O)C(F)CNCCCCCCCO 269956a_100000084737_100000760002 [0,2,0,0,0,0|2,0,0]=4 15232 B14R0.340 O=C([O-])C(F)NCCCCCCCCO 34a_102515433106_100020610796 [0,2,0,0,0,0|2,0,0]=4 15233 B14R0.340 O=C([O-])C(F)OCCCCCCCCBr 34a_100009813846_100020610796 [0,2,0,0,0,0|2,0,0]=4 15234 B14R0.340 O=C([O-])C(F)OCCCCCCCCCl 34a_100000033203_100020610796 [0,2,0,0,0,0|2,0,0]=4 15235 B14R0.340 O=C([O-])C(F)SCCCCCCCCO 62a_100000033203_100020610796 [0,2,0,0,0,0|2,0,0]=4 15236 B14R0.340 O=C([O-])C(F)SCCCCCCCCO 62a_100020610796_100000033203 [0,2,0,0,0,0|2,0,0]=4 15237 B14R0.344 C=C(C)CCC(=O)CCCCCCCC 1458a_100000210188_100000730704 [0,2,0,0,0,0|1,0,1]=4 15238 B14R0.344 C=C(C)CCC(=O)CCCCCCCC 1458a_200000688413_100000210759 [0,2,0,0,0,0|1,0,1]=4 15239 B14R0.344 C=C(C)CCC(C)NCCCCCCC 270004a_100000229938_100011215600 [0,2,0,0,0,0|2,0,0]=4 15240 B14R0.344 C=C(C)CCN(C)CCCCCCCC 2230a_100000207567_100000730704 [0,2,0,0,0,0|2,0,0]=4 15241 B14R0.344 C=C(C)CCN(C)CCCCCCCC 269982a_100000207567_100000730704 [0,2,0,0,0,0|2,0,0]=4 15242 B14R0.344 C=C(C)COC(C)CCCCCCCC 34a_100000210740_100000748629 [0,2,0,0,0,0|2,0,0]=4 15243 B14R0.344 C=C(C)COC(C)CCCCCCCC 7a_100000210740_100000748629 [0,2,0,0,0,0|2,0,0]=4 15244 B14R0.344 C=C(F)COC(C)CCCCCCCC 34a_100000210740_100009893438 [0,2,0,0,0,0|2,0,0]=4 15245 B14R0.344 C=C(F)COC(C)CCCCCCCC 7a_100000210740_100000042424 [0,2,0,0,0,0|2,0,0]=4 15246 B14R0.344 C=CCCCCCCC(=O)CCC(C)C 1458a_100000181311_100011215473 [0,2,0,0,0,0|1,0,1]=4 15247 B14R0.344 C=CCCCCCCC(=O)CCC(C)C 1458a_100011809334_100000210312 [0,2,0,0,0,0|1,0,1]=4 15248 B14R0.344 C=CCCCCCCC(=O)CCC(C)O 1458a_100011809334_100012276601 [0,2,0,0,0,0|1,0,1]=4 15249 B14R0.344 C=CCCCCCCN(C)CCC(C)C 2230a_100000742789_100011215473 [0,2,0,0,0,0|2,0,0]=4 15250 B14R0.344 C=CCCCCCCN(C)CCC(C)C 269982a_100000742789_100011215473 [0,2,0,0,0,0|2,0,0]=4 15251 B14R0.344 C=CCCCCCNC(C)CCC(C)C 2230a_100138410893_100000700193 [0,2,0,0,0,0|2,0,0]=4 15252 B14R0.344 C=CCCCCCOC(C)CCC(C)C 34a_100011215350_100000700193 [0,2,0,0,0,0|2,0,0]=4 15253 B14R0.344 C=CCCCCCOC(C)CCC(C)C 34a_100011216702_100011261404 [0,2,0,0,0,0|2,0,0]=4 15254 B14R0.344 C=CCCCCCOC(C)CCC(C)C 7a_100011215350_100000700193 [0,2,0,0,0,0|2,0,0]=4 15255 B14R0.344 C=CCCCCCSC(C)CCC(C)C 62a_100000700193_100011261404 [0,2,0,0,0,0|2,0,0]=4 15256 B14R0.344 C=CCCCCCSC(C)CCC(C)C 62a_100011261404_100000700193 [0,2,0,0,0,0|2,0,0]=4 15257 B14R0.344 CC(C)CCC(C)NCCCCCC=O 2230a_100138410893_100000139337 [0,2,0,0,0,0|1,0,0]=3 15258 B14R0.344 CC(C)CCC(C)OCCCCCC=O 7a_100011215350_100000139337 [0,2,0,0,0,0|1,0,0]=3 15259 B14R0.344 CC(C)CCC(C)SCCCCCC=O 62a_100000139337_100011261404 [0,2,0,0,0,0|1,0,0]=3 15260 B14R0.344 CC(C)CCC(C)SCCCCCC=O 62a_100011261404_100000139337 [0,2,0,0,0,0|1,0,0]=3 15261 B14R0.344 CCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210759 [0,2,0,0,0,0|0,0,1]=3 15262 B14R0.344 CCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210759 [0,2,0,0,0,0|1,0,1]=4 15263 B14R0.344 CCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210759 [0,2,0,0,0,0|1,0,1]=4 15264 B14R0.344 CCCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210759 [0,2,0,0,0,0|1,0,1]=4 15265 B14R0.344 CCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210759 [0,2,0,0,0,0|1,0,1]=4 15266 B14R0.344 CCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210759 [0,2,0,0,0,0|1,0,1]=4 15267 B14R0.344 CCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000210188 [0,2,0,0,0,0|1,0,1]=4 15268 B14R0.344 CCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000210188 [0,2,0,0,0,0|1,0,1]=4 15269 B14R0.344 CCCCCCCCC(=O)NCC(=O)N 527a_100000711301_100000210188 [0,2,0,0,0,0|1,0,1]=4 15270 B14R0.344 CCCCCCCCC(C)OCC(=O)N 34a_100000210740_100000187820 [0,2,0,0,0,0|1,0,0]=3 15271 B14R0.344 CCCCCCCCC(C)OCC(=O)N 7a_100000210740_100000187820 [0,2,0,0,0,0|1,0,0]=3 15272 B14R0.344 CCCCCCCCC(C)OCC(=O)[O-] 34a_100000210740_100020667443 [0,2,0,0,0,0|1,0,0]=3 15273 B14R0.344 CCCCCCCCC(C)OC[N+](=O)[O-] 34a_100000210740_100000761209 [0,2,0,0,0,0|2,0,0]=4 15274 B14R0.344 CCCCCCCCN(C)CCC(=O)C 269982a_100000207567_100000053229 [0,2,0,0,0,0|1,0,0]=3 15275 B14R0.344 CCCCCCCCN(C)CCC(=O)N 2230a_100000207567_100000744528 [0,2,0,0,0,0|1,0,0]=3 15276 B14R0.344 CCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210759 [0,2,0,0,0,0|1,0,0]=3 15277 B14R0.344 CCCCCCCCN(C)CCC(=O)N 269982a_100000207567_100000744528 [0,2,0,0,0,0|1,0,0]=3 15278 B14R0.344 CCCCCCCCN(C)COC(=O)C 269982a_100000207567_100000076356 [0,2,0,0,0,0|2,0,0]=4 15279 B14R0.344 CCCCCCCNC(=O)CCC(=O)N 240690a_100000229938_100011215257 [0,2,0,0,0,0|1,0,1]=4 15280 B14R0.344 CCCCCCCNC(=O)CCC(=O)N 527a_100000229938_100011215257 [0,2,0,0,0,0|1,0,1]=4 15281 B14R0.344 CCCCCCCNC(C)COC(=O)C 270004a_100000229938_100000000629 [0,2,0,0,0,0|2,0,0]=4 15282 B14R0.344 CCCCCCNCC(C)CSC(=O)C 2230a_100000210581_200000116872 [0,2,0,0,0,0|2,0,0]=4 15283 B14R0.344 CCCCCCOCC(C)CSC(=O)C 34a_100000210259_200000116872 [0,2,0,0,0,0|2,0,0]=4 15284 B14R0.344 CCCCCCOCC(C)CSC(=O)C 7a_100000210259_200000116872 [0,2,0,0,0,0|2,0,0]=4 15285 B14R0.344 CCCCCCOCC(O)COC(=O)C 34a_100000210259_200000139349 [0,2,0,0,0,0|2,0,0]=4 15286 B14R0.344 CCCCCCOCC(O)COC(=O)C 7a_100000210259_200000139349 [0,2,0,0,0,0|2,0,0]=4 15287 B14R0.344 CCCCCCSCC(C)CSC(=O)C 62a_100000210314_200000116872 [0,2,0,0,0,0|2,0,0]=4 15288 B14R0.344 CCCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210757 [0,2,0,0,0,0|2,0,0]=4 15289 B14R0.344 CCCCCCSCC(O)COC(=O)C 62a_100000210314_200000139349 [0,2,0,0,0,0|2,0,0]=4 15290 B14R0.344 CCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210757 [0,2,0,0,0,0|2,0,0]=4 15291 B14R0.344 CN(CCCCCCCO)CCC(=O)N 2230a_100000730477_100000760002 [0,2,0,0,0,0|2,0,0]=4 15292 B14R0.344 COCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100011998445 [0,2,0,0,0,0|1,0,1]=4 15293 B14R0.344 COCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011998445 [0,2,0,0,0,0|2,0,0]=4 15294 B14R0.344 NC(=O)CCC(=O)CCCCCCCO 1458a_100011215257_100000760002 [0,2,0,0,0,0|1,0,1]=4 15295 B14R0.394 C#CCCCCCCCCCOC(C)C 34a_100000034437_100000210206 [0,2,0,0,0,0|1,0,1]=4 15296 B14R0.394 C#CCCCCCCCCCOC(C)C 7a_100000034437_100000210206 [0,2,0,0,0,0|1,0,1]=4 15297 B14R0.394 C#CCCCCCCCCOCC(=O)N 34a_100000065265_100000187820 [0,2,0,0,0,0|0,0,2]=4 15298 B14R0.394 C#CCCCCCCCCOCC(=O)N 7a_100000065265_100000187820 [0,2,0,0,0,0|0,0,2]=4 15299 B14R0.394 C#CCCCCCCCCOCC(=O)[O-] 34a_100000065265_100020667443 [0,2,0,0,0,0|0,0,2]=4 15300 B14R0.394 C#CCCCCCCCCOCC(C)C 34a_100000065265_100000210624 [0,2,0,0,0,0|1,0,1]=4 15301 B14R0.394 C#CCCCCCCCCOCC(C)C 7a_100000065265_100000210760 [0,2,0,0,0,0|1,0,1]=4 15302 B14R0.394 C#CCCCCCCCCOCC(C)O 34a_100000065265_100011218427 [0,2,0,0,0,0|1,0,1]=4 15303 B14R0.394 C#CCCCCCCCCOCC(C)O 7a_100000065265_100011218427 [0,2,0,0,0,0|1,0,1]=4 15304 B14R0.394 C#CCCCCCCCCOC[C@@H](C)O 34a_100000065265_100009817552 [0,2,0,0,0,0|1,0,1]=4 15305 B14R0.394 C#CCCCCCCCCOC[C@@H](C)O 7a_100000065265_100009817552 [0,2,0,0,0,0|1,0,1]=4 15306 B14R0.394 C#CCCCCCCCNCCC(C)O 2230a_200000755665_100153394163 [0,2,0,0,0,0|1,0,1]=4 15307 B14R0.394 C#CCCCCCCCOCCC(=O)C 34a_100000759926_100153394163 [0,2,0,0,0,0|0,0,2]=4 15308 B14R0.394 C#CCCCCCCCOCCC(=O)C 7a_100000054614_100000053229 [0,2,0,0,0,0|0,0,2]=4 15309 B14R0.394 C#CCCCCCCCOCCC(=O)C 7a_100000759926_100153394163 [0,2,0,0,0,0|0,0,2]=4 15310 B14R0.394 C#CCCCCCCCOCCC(=O)N 34a_100000054614_100000731001 [0,2,0,0,0,0|0,0,2]=4 15311 B14R0.394 C#CCCCCCCCOCCC(=O)N 34a_100000757172_100153394163 [0,2,0,0,0,0|0,0,2]=4 15312 B14R0.394 C#CCCCCCCCOCCC(=O)N 7a_100000054614_100000744528 [0,2,0,0,0,0|0,0,2]=4 15313 B14R0.394 C#CCCCCCCCOCCC(=O)N 7a_100000757172_100153394163 [0,2,0,0,0,0|0,0,2]=4 15314 B14R0.394 C#CCCCCCCCOCCC(C)Br 34a_100009893172_100153394163 [0,2,0,0,0,0|1,0,1]=4 15315 B14R0.394 C#CCCCCCCCOCCC(C)C 34a_100000054614_100000210312 [0,2,0,0,0,0|1,0,1]=4 15316 B14R0.394 C#CCCCCCCCOCCC(C)C 34a_100000210254_100153394163 [0,2,0,0,0,0|1,0,1]=4 15317 B14R0.394 C#CCCCCCCCOCCC(C)C 7a_100000054614_100000210626 [0,2,0,0,0,0|1,0,1]=4 15318 B14R0.394 C#CCCCCCCCOCCC(C)C 7a_100000210254_100153394163 [0,2,0,0,0,0|1,0,1]=4 15319 B14R0.394 C#CCCCCCCCOCCC(C)O 34a_100000054614_100012276601 [0,2,0,0,0,0|1,0,1]=4 15320 B14R0.394 C#CCCCCCCCOCCC(C)O 7a_100000054614_100012276601 [0,2,0,0,0,0|1,0,1]=4 15321 B14R0.394 C#CCCCCCCCOCC[C@@H](C)N 34a_100000706166_100153394163 [0,2,0,0,0,0|1,0,1]=4 15322 B14R0.394 C#CCCCCCCCSCCC(=O)C 62a_100000053229_100153394163 [0,2,0,0,0,0|0,0,2]=4 15323 B14R0.394 C#CCCCCCCCSCCC(=O)C 62a_100153394163_100000053229 [0,2,0,0,0,0|0,0,2]=4 15324 B14R0.394 C#CCCCCCCCSCCC(=O)N 62a_100000744528_100153394163 [0,2,0,0,0,0|0,0,2]=4 15325 B14R0.394 C#CCCCCCCCSCCC(=O)N 62a_100153394163_100000744528 [0,2,0,0,0,0|0,0,2]=4 15326 B14R0.394 C#CCCCCCCCSCCC(C)C 62a_100000210312_100153394163 [0,2,0,0,0,0|1,0,1]=4 15327 B14R0.394 C#CCCCCCCCSCCC(C)C 62a_100153394163_100000210312 [0,2,0,0,0,0|1,0,1]=4 15328 B14R0.394 C#CCCCCCCCSCCC(C)O 62a_100012276601_100153394163 [0,2,0,0,0,0|1,0,1]=4 15329 B14R0.394 C#CCCCCCCCSCCC(C)O 62a_100153394163_100012276601 [0,2,0,0,0,0|1,0,1]=4 15330 B14R0.394 C#CCCCCCCNCCCC(=O)N 34a_100000739312_100012276617 [0,2,0,0,0,0|0,0,2]=4 15331 B14R0.394 C#CCCCCCCNCCCC(C)C 2230a_200000737386_100012276617 [0,2,0,0,0,0|1,0,1]=4 15332 B14R0.394 C#CCCCCCCNCCCC(C)C 34a_200000737386_100012276617 [0,2,0,0,0,0|1,0,1]=4 15333 B14R0.394 C#CCCCCCCOCCCC(=O)C 34a_100000759063_100012276617 [0,2,0,0,0,0|0,0,2]=4 15334 B14R0.394 C#CCCCCCCOCCCC(=O)C 34a_100011217361_100000685027 [0,2,0,0,0,0|0,0,2]=4 15335 B14R0.394 C#CCCCCCCOCCCC(=O)C 7a_100000759063_100012276617 [0,2,0,0,0,0|0,0,2]=4 15336 B14R0.394 C#CCCCCCCOCCCC(=O)C 7a_100011217361_100011215641 [0,2,0,0,0,0|0,0,2]=4 15337 B14R0.394 C#CCCCCCCOCCCC(=O)N 34a_100011217361_100102525003 [0,2,0,0,0,0|0,0,2]=4 15338 B14R0.394 C#CCCCCCCOCCCC(=O)N 7a_100011217361_100102525003 [0,2,0,0,0,0|0,0,2]=4 15339 B14R0.394 C#CCCCCCCOCCCC(C)C 34a_100000210774_100012276617 [0,2,0,0,0,0|1,0,1]=4 15340 B14R0.394 C#CCCCCCCOCCCC(C)C 34a_100011217361_100011214892 [0,2,0,0,0,0|1,0,1]=4 15341 B14R0.394 C#CCCCCCCOCCCC(C)C 7a_100000210774_100012276617 [0,2,0,0,0,0|1,0,1]=4 15342 B14R0.394 C#CCCCCCCOCCCC(C)C 7a_100011217361_100011214892 [0,2,0,0,0,0|1,0,1]=4 15343 B14R0.394 C#CCCCCCCOCCCC(C)O 34a_100011217361_200000718107 [0,2,0,0,0,0|1,0,1]=4 15344 B14R0.394 C#CCCCCCCOCCCC(C)O 7a_100011217361_200000718107 [0,2,0,0,0,0|1,0,1]=4 15345 B14R0.394 C#CCCCCCCSCCCC(=O)C 62a_100011215641_100012276617 [0,2,0,0,0,0|0,0,2]=4 15346 B14R0.394 C#CCCCCCCSCCCC(=O)C 62a_100012276617_100011215641 [0,2,0,0,0,0|0,0,2]=4 15347 B14R0.394 C#CCCCCCCSCCCC(=O)N 62a_100012276617_100102525003 [0,2,0,0,0,0|0,0,2]=4 15348 B14R0.394 C#CCCCCCCSCCCC(=O)N 62a_100102525003_100012276617 [0,2,0,0,0,0|0,0,2]=4 15349 B14R0.394 C#CCCCCCCSCCCC(C)C 62a_100011214892_100012276617 [0,2,0,0,0,0|1,0,1]=4 15350 B14R0.394 C#CCCCCCCSCCCC(C)C 62a_100012276617_100011214892 [0,2,0,0,0,0|1,0,1]=4 15351 B14R0.394 C#CCCCCCCSCCCC(C)O 62a_100012276617_200000718107 [0,2,0,0,0,0|1,0,1]=4 15352 B14R0.394 C#CCCCCCCSCCCC(C)O 62a_200000718107_100012276617 [0,2,0,0,0,0|1,0,1]=4 15353 B14R0.394 C#CCCCCCNCCCCC(=O)N 34a_100000696515_100012094781 [0,2,0,0,0,0|0,0,2]=4 15354 B14R0.394 C#CCCCCCOCCCCC(=O)C 34a_100000766912_100009817362 [0,2,0,0,0,0|0,0,2]=4 15355 B14R0.394 C#CCCCCCOCCCCC(=O)C 7a_100000766912_100000735457 [0,2,0,0,0,0|0,0,2]=4 15356 B14R0.394 C#CCCCCCOCCCCC(=O)N 34a_100012022536_100012094781 [0,2,0,0,0,0|0,0,2]=4 15357 B14R0.394 C#CCCCCCOCCCCC(=O)N 7a_100012022536_100012094781 [0,2,0,0,0,0|0,0,2]=4 15358 B14R0.394 C#CCCCCCOCCCCC(C)C 34a_100000766912_100011216152 [0,2,0,0,0,0|1,0,1]=4 15359 B14R0.394 C#CCCCCCOCCCCC(C)C 34a_100011214890_100012094781 [0,2,0,0,0,0|1,0,1]=4 15360 B14R0.394 C#CCCCCCOCCCCC(C)C 7a_100000766912_100011216152 [0,2,0,0,0,0|1,0,1]=4 15361 B14R0.394 C#CCCCCCOCCCCC(C)C 7a_100011214890_100012094781 [0,2,0,0,0,0|1,0,1]=4 15362 B14R0.394 C#CCCCCCSCCCCC(=O)C 62a_100000735457_100012094781 [0,2,0,0,0,0|0,0,2]=4 15363 B14R0.394 C#CCCCCCSCCCCC(=O)C 62a_100012094781_100000735457 [0,2,0,0,0,0|0,0,2]=4 15364 B14R0.394 C#CCCCCCSCCCCC(C)C 62a_100011216152_100012094781 [0,2,0,0,0,0|1,0,1]=4 15365 B14R0.394 C#CCCCCCSCCCCC(C)C 62a_100012094781_100011216152 [0,2,0,0,0,0|1,0,1]=4 15366 B14R0.394 C#CCCCCNCCCCCC(=O)N 2230a_100000706060_100009817443 [0,2,0,0,0,0|0,0,2]=4 15367 B14R0.394 C#CCCCCNCCCCCC(=O)N 34a_100000706060_100009817443 [0,2,0,0,0,0|0,0,2]=4 15368 B14R0.394 C#CCCCCNCCCCCC(C)C 2230a_100000706060_100000210682 [0,2,0,0,0,0|1,0,1]=4 15369 B14R0.394 C#CCCCCNCCCCCC(C)C 2230a_100011290863_100010269958 [0,2,0,0,0,0|1,0,1]=4 15370 B14R0.394 C#CCCCCNCCCCCC(C)C 34a_100000706060_100000210682 [0,2,0,0,0,0|1,0,1]=4 15371 B14R0.394 C#CCCCCNCCCCCC(C)C 34a_100011290863_100010269958 [0,2,0,0,0,0|1,0,1]=4 15372 B14R0.394 C#CCCCCOCCCCCC(=O)N 34a_100000123541_100010269958 [0,2,0,0,0,0|0,0,2]=4 15373 B14R0.394 C#CCCCCOCCCCCC(=O)N 34a_100000766709_100009817443 [0,2,0,0,0,0|0,0,2]=4 15374 B14R0.394 C#CCCCCOCCCCCC(=O)N 7a_100000123541_100010269958 [0,2,0,0,0,0|0,0,2]=4 15375 B14R0.394 C#CCCCCOCCCCCC(=O)N 7a_100000766709_100009817443 [0,2,0,0,0,0|0,0,2]=4 15376 B14R0.394 C#CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100010269958 [0,2,0,0,0,0|0,0,2]=4 15377 B14R0.394 C#CCCCCOCCCCCC(C)C 34a_100000766709_100000210682 [0,2,0,0,0,0|1,0,1]=4 15378 B14R0.394 C#CCCCCOCCCCCC(C)C 34a_100011995859_100010269958 [0,2,0,0,0,0|1,0,1]=4 15379 B14R0.394 C#CCCCCOCCCCCC(C)C 7a_100000766709_100000210682 [0,2,0,0,0,0|1,0,1]=4 15380 B14R0.394 C#CCCCCOCCCCCC(C)C 7a_100011995859_100010269958 [0,2,0,0,0,0|1,0,1]=4 15381 B14R0.394 C#CCCCCSCCCCCC(=O)N 62a_100009817443_100010269958 [0,2,0,0,0,0|0,0,2]=4 15382 B14R0.394 C#CCCCCSCCCCCC(=O)N 62a_100010269958_100009817443 [0,2,0,0,0,0|0,0,2]=4 15383 B14R0.394 C#CCCCCSCCCCCC(C)C 62a_100000210682_100010269958 [0,2,0,0,0,0|1,0,1]=4 15384 B14R0.394 C#CCCCCSCCCCCC(C)C 62a_100010269958_100000210682 [0,2,0,0,0,0|1,0,1]=4 15385 B14R0.394 C#CCCCNCCCCCCC(C)C 2230a_100000211014_100000731252 [0,2,0,0,0,0|1,0,1]=4 15386 B14R0.394 C#CCCCNCCCCCCC(C)C 34a_100000211014_100000695029 [0,2,0,0,0,0|1,0,1]=4 15387 B14R0.394 C#CCCOCCCCCCCC(C)C 34a_200000210741_100000688953 [0,2,0,0,0,0|1,0,1]=4 15388 B14R0.394 C#CCCOCCCCCCCC(C)C 7a_200000210741_100000688953 [0,2,0,0,0,0|1,0,1]=4 15389 B14R0.394 C/C=C/COCCCCCCCC(C)C 34a_200000210741_100102629194 [0,2,0,0,0,0|1,0,1]=4 15390 B14R0.394 C/C=C/COCCCCCCCC(C)C 7a_200000210741_100102629194 [0,2,0,0,0,0|1,0,1]=4 15391 B14R0.394 C=C(Br)CCOCCCCCCCCC 34a_100009813270_100011214924 [0,2,0,0,0,0|1,0,0]=3 15392 B14R0.394 C=C(Br)CCOCCCCCCCCO 34a_100009813270_100000033203 [0,2,0,0,0,0|2,0,0]=4 15393 B14R0.394 C=C(C)CCNCCCCCCCCC 2230a_100000212291_100000730704 [0,2,0,0,0,0|1,0,0]=3 15394 B14R0.394 C=C(C)CCNCCCCCCCCC 34a_100000212291_100000730704 [0,2,0,0,0,0|1,0,0]=3 15395 B14R0.394 C=C(C)CCNCCCCCCCCO 2230a_102515433106_100000730704 [0,2,0,0,0,0|2,0,0]=4 15396 B14R0.394 C=C(C)CCNCCCCCCCCO 34a_102515433106_100000730704 [0,2,0,0,0,0|2,0,0]=4 15397 B14R0.394 C=C(C)CCOCCCCCCCCBr 34a_100009813846_100000730704 [0,2,0,0,0,0|2,0,0]=4 15398 B14R0.394 C=C(C)CCOCCCCCCCCBr 7a_100009813846_100000730704 [0,2,0,0,0,0|2,0,0]=4 15399 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000210712_100000730704 [0,2,0,0,0,0|1,0,0]=3 15400 B14R0.394 C=C(C)CCOCCCCCCCCC 34a_100000764851_100011214924 [0,2,0,0,0,0|1,0,0]=3 15401 B14R0.394 C=C(C)CCOCCCCCCCCC 7a_100000210712_100000730704 [0,2,0,0,0,0|1,0,0]=3 15402 B14R0.394 C=C(C)CCOCCCCCCCCCl 34a_100000033203_100000730704 [0,2,0,0,0,0|2,0,0]=4 15403 B14R0.394 C=C(C)CCOCCCCCCCCCl 7a_100000033203_100000730704 [0,2,0,0,0,0|2,0,0]=4 15404 B14R0.394 C=C(C)CCOCCCCCCCCN 34a_102515433106_100000730704 [0,2,0,0,0,0|2,0,0]=4 15405 B14R0.394 C=C(C)CCOCCCCCCCCO 34a_100000764851_100000033203 [0,2,0,0,0,0|2,0,0]=4 15406 B14R0.394 C=C(C)CCOCCCCNCCCC 34a_200011216965_100000730704 [0,2,0,0,0,0|2,0,0]=4 15407 B14R0.394 C=C(C)CCOCCCCOCCCC 34a_200000760531_100000730704 [0,2,0,0,0,0|2,0,0]=4 15408 B14R0.394 C=C(C)CCOCCCCOCCCC 7a_200000760531_100000730704 [0,2,0,0,0,0|2,0,0]=4 15409 B14R0.394 C=C(C)CCOCCOCCCCCC 34a_100000691444_100000730704 [0,2,0,0,0,0|2,0,0]=4 15410 B14R0.394 C=C(C)CCOCCOCCCCCC 7a_100000691444_100000730704 [0,2,0,0,0,0|2,0,0]=4 15411 B14R0.394 C=C(C)CCSCCCCCCCCC 62a_100000730704_100000210670 [0,2,0,0,0,0|1,0,0]=3 15412 B14R0.394 C=C(C)CCSCCCCCCCCO 62a_100000033203_100000730704 [0,2,0,0,0,0|2,0,0]=4 15413 B14R0.394 C=C(C)CCSCCCCCCCCO 62a_100000730704_100000033203 [0,2,0,0,0,0|2,0,0]=4 15414 B14R0.394 C=C(C)CNCCCCCCCCCC 2230a_100000684558_100000748629 [0,2,0,0,0,0|1,0,0]=3 15415 B14R0.394 C=C(C)CNCCCCCCCCCC 34a_100000684558_100000748629 [0,2,0,0,0,0|1,0,0]=3 15416 B14R0.394 C=C(C)CNCCCCCCCCCO 2230a_100000078944_100000748629 [0,2,0,0,0,0|2,0,0]=4 15417 B14R0.394 C=C(C)CNCCCCCCCCCO 34a_100000078944_100000748629 [0,2,0,0,0,0|2,0,0]=4 15418 B14R0.394 C=C(C)COCCCCCCCCCBr 34a_100009813782_100000748629 [0,2,0,0,0,0|2,0,0]=4 15419 B14R0.394 C=C(C)COCCCCCCCCCBr 7a_100009813782_100000748629 [0,2,0,0,0,0|2,0,0]=4 15420 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210245_100000210320 [0,2,0,0,0,0|1,0,0]=3 15421 B14R0.394 C=C(C)COCCCCCCCCCC 34a_100000210711_100000748629 [0,2,0,0,0,0|1,0,0]=3 15422 B14R0.394 C=C(C)COCCCCCCCCCC 7a_100000210711_100000748629 [0,2,0,0,0,0|1,0,0]=3 15423 B14R0.394 C=C(C)COCCCCCCCCCCl 34a_100009868337_100000748629 [0,2,0,0,0,0|2,0,0]=4 15424 B14R0.394 C=C(C)COCCCCCCCCCCl 7a_100009868337_100000748629 [0,2,0,0,0,0|2,0,0]=4 15425 B14R0.394 C=C(C)COCCCCCCCCCN 34a_100000078944_100000748629 [0,2,0,0,0,0|2,0,0]=4 15426 B14R0.394 C=C(C)COCCCCCCCCCO 34a_100000210245_100009813782 [0,2,0,0,0,0|2,0,0]=4 15427 B14R0.394 C=C(C)CSCCCCCCCCCC 62a_100000748629_100000210320 [0,2,0,0,0,0|1,0,0]=3 15428 B14R0.394 C=C(C)CSCCCCCCCCCO 62a_100000748629_100009813782 [0,2,0,0,0,0|2,0,0]=4 15429 B14R0.394 C=C(C)CSCCCCCCCCCO 62a_100009813782_100000211660 [0,2,0,0,0,0|2,0,0]=4 15430 B14R0.394 C=C(F)CNCCCCCCCCCC 2230a_100000684558_100009893438 [0,2,0,0,0,0|1,0,0]=3 15431 B14R0.394 C=C(F)CNCCCCCCCCCC 34a_100000684558_100009893438 [0,2,0,0,0,0|1,0,0]=3 15432 B14R0.394 C=C(F)CNCCCCCCCCCO 2230a_100000078944_100009893438 [0,2,0,0,0,0|2,0,0]=4 15433 B14R0.394 C=C(F)CNCCCCCCCCCO 34a_100000078944_100009893438 [0,2,0,0,0,0|2,0,0]=4 15434 B14R0.394 C=C(F)COCCCCCCCCCBr 34a_100009813782_100009893438 [0,2,0,0,0,0|2,0,0]=4 15435 B14R0.394 C=C(F)COCCCCCCCCCBr 7a_100009813782_100000042424 [0,2,0,0,0,0|2,0,0]=4 15436 B14R0.394 C=C(F)COCCCCCCCCCC 34a_100000210711_100009893438 [0,2,0,0,0,0|1,0,0]=3 15437 B14R0.394 C=C(F)COCCCCCCCCCC 34a_200010262243_100000210320 [0,2,0,0,0,0|1,0,0]=3 15438 B14R0.394 C=C(F)COCCCCCCCCCC 7a_100000210711_100000042424 [0,2,0,0,0,0|1,0,0]=3 15439 B14R0.394 C=C(F)COCCCCCCCCCCl 34a_100009868337_100009893438 [0,2,0,0,0,0|2,0,0]=4 15440 B14R0.394 C=C(F)COCCCCCCCCCCl 7a_100009868337_100000042424 [0,2,0,0,0,0|2,0,0]=4 15441 B14R0.394 C=C(F)COCCCCCCCCCN 34a_100000078944_100009893438 [0,2,0,0,0,0|2,0,0]=4 15442 B14R0.394 C=C(F)COCCCCCCCCCO 34a_200010262243_100009813782 [0,2,0,0,0,0|2,0,0]=4 15443 B14R0.394 C=C(F)CSCCCCCCCCCC 62a_100000042424_100000210320 [0,2,0,0,0,0|1,0,0]=3 15444 B14R0.394 C=C(F)CSCCCCCCCCCO 62a_100000042424_100009813782 [0,2,0,0,0,0|2,0,0]=4 15445 B14R0.394 C=C(F)CSCCCCCCCCCO 62a_100009813782_100000042424 [0,2,0,0,0,0|2,0,0]=4 15446 B14R0.394 C=CCCCCCCCCCCC(=O)C 1458a_100000070787_100011093070 [0,2,0,0,0,0|0,0,1]=3 15447 B14R0.394 C=CCCCCCCCCCCN(C)C 2230a_100102631434_100011093070 [0,2,0,0,0,0|1,0,0]=3 15448 B14R0.394 C=CCCCCCCCCCCN(C)C 269982a_100102631434_100011093070 [0,2,0,0,0,0|1,0,0]=3 15449 B14R0.394 C=CCCCCCCCCCNC(=O)C 11a_100000081888_100015343762 [0,2,0,0,0,0|0,0,2]=4 15450 B14R0.394 C=CCCCCCCCCCNC(=O)C 1626a_100000081888_100015343762 [0,2,0,0,0,0|0,0,2]=4 15451 B14R0.394 C=CCCCCCCCCCNC(=O)C 240690a_100000081888_100015343762 [0,2,0,0,0,0|0,0,2]=4 15452 B14R0.394 C=CCCCCCCCCCNC(=O)C 527a_100000081888_100103153847 [0,2,0,0,0,0|0,0,2]=4 15453 B14R0.394 C=CCCCCCCCCCNC(C)C 2230a_100000081888_100000210206 [0,2,0,0,0,0|1,0,0]=3 15454 B14R0.394 C=CCCCCCCCCCNC(C)C 2230a_100138425928_100009814027 [0,2,0,0,0,0|1,0,0]=3 15455 B14R0.394 C=CCCCCCCCCCNC(C)C 34a_100000081888_100000210206 [0,2,0,0,0,0|1,0,0]=3 15456 B14R0.394 C=CCCCCCCCCCNC(C)C 34a_100138425928_100009814027 [0,2,0,0,0,0|1,0,0]=3 15457 B14R0.394 C=CCCCCCCCCCOC(C)C 34a_100000038209_100000210206 [0,2,0,0,0,0|1,0,0]=3 15458 B14R0.394 C=CCCCCCCCCCOC(C)C 34a_100000212225_100009814027 [0,2,0,0,0,0|1,0,0]=3 15459 B14R0.394 C=CCCCCCCCCCOC(C)C 7a_100000038209_100000210206 [0,2,0,0,0,0|1,0,0]=3 15460 B14R0.394 C=CCCCCCCCCCSC(C)C 62a_100000210206_100009814027 [0,2,0,0,0,0|1,0,0]=3 15461 B14R0.394 C=CCCCCCCCCCSC(C)C 62a_100009814027_100000210206 [0,2,0,0,0,0|1,0,0]=3 15462 B14R0.394 C=CCCCCCCCCNCC(=O)N 2230a_100000711301_100011933949 [0,2,0,0,0,0|0,0,2]=4 15463 B14R0.394 C=CCCCCCCCCNCC(=O)O 269956a_100016091260_100011933949 [0,2,0,0,0,0|0,0,2]=4 15464 B14R0.394 C=CCCCCCCCCNCC(C)C 2230a_100000210953_100011933949 [0,2,0,0,0,0|1,0,0]=3 15465 B14R0.394 C=CCCCCCCCCNCC(C)C 34a_100000210953_100011933949 [0,2,0,0,0,0|1,0,0]=3 15466 B14R0.394 C=CCCCCCCCCNCC(C)O 2230a_100000210904_100011933949 [0,2,0,0,0,0|1,0,0]=3 15467 B14R0.394 C=CCCCCCCCCNCC(C)O 34a_100000210904_100011933949 [0,2,0,0,0,0|1,0,0]=3 15468 B14R0.394 C=CCCCCCCCCNCC(F)F 34a_100000765723_100011933949 [0,2,0,0,0,0|2,0,0]=4 15469 B14R0.394 C=CCCCCCCCCOCC(=C)C 34a_100000210245_100011933949 [0,2,0,0,0,0|1,0,1]=4 15470 B14R0.394 C=CCCCCCCCCOCC(=C)C 34a_100011215194_100000748629 [0,2,0,0,0,0|1,0,1]=4 15471 B14R0.394 C=CCCCCCCCCOCC(=C)C 7a_100011215194_100000748629 [0,2,0,0,0,0|1,0,1]=4 15472 B14R0.394 C=CCCCCCCCCOCC(=O)C 34a_100000211253_100011933949 [0,2,0,0,0,0|0,0,2]=4 15473 B14R0.394 C=CCCCCCCCCOCC(=O)N 34a_100011215194_100000187820 [0,2,0,0,0,0|0,0,2]=4 15474 B14R0.394 C=CCCCCCCCCOCC(=O)N 7a_100011215194_100000187820 [0,2,0,0,0,0|0,0,2]=4 15475 B14R0.394 C=CCCCCCCCCOCC(=O)[O-] 34a_100011215194_100020667443 [0,2,0,0,0,0|0,0,2]=4 15476 B14R0.394 C=CCCCCCCCCOCC(C)Br 34a_100012180447_100011933949 [0,2,0,0,0,0|1,0,0]=3 15477 B14R0.394 C=CCCCCCCCCOCC(C)C 34a_100000210257_100011933949 [0,2,0,0,0,0|1,0,0]=3 15478 B14R0.394 C=CCCCCCCCCOCC(C)C 34a_100011215194_100000210624 [0,2,0,0,0,0|1,0,0]=3 15479 B14R0.394 C=CCCCCCCCCOCC(C)C 7a_100011215194_100000210760 [0,2,0,0,0,0|1,0,0]=3 15480 B14R0.394 C=CCCCCCCCCOCC(C)F 34a_100015925927_100011933949 [0,2,0,0,0,0|1,0,0]=3 15481 B14R0.394 C=CCCCCCCCCOCC(C)O 34a_100011215194_100011218427 [0,2,0,0,0,0|1,0,0]=3 15482 B14R0.394 C=CCCCCCCCCOCC(C)O 7a_100011215194_100011218427 [0,2,0,0,0,0|1,0,0]=3 15483 B14R0.394 C=CCCCCCCCCOCC(F)F 34a_100000743014_100011933949 [0,2,0,0,0,0|2,0,0]=4 15484 B14R0.394 C=CCCCCCCCCOCC(F)F 34a_100011215194_100011934356 [0,2,0,0,0,0|2,0,0]=4 15485 B14R0.394 C=CCCCCCCCCOCC(F)F 7a_100011215194_100011934356 [0,2,0,0,0,0|2,0,0]=4 15486 B14R0.394 C=CCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011933949 [0,2,0,0,0,0|1,0,0]=3 15487 B14R0.394 C=CCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011933949 [0,2,0,0,0,0|1,0,0]=3 15488 B14R0.394 C=CCCCCCCCCOC[C@@H](C)O 34a_100011215194_100009817552 [0,2,0,0,0,0|1,0,0]=3 15489 B14R0.394 C=CCCCCCCCCOC[C@@H](C)O 7a_100011215194_100009817552 [0,2,0,0,0,0|1,0,0]=3 15490 B14R0.394 C=CCCCCCCCCSCC(=C)C 62a_100000748629_100011933949 [0,2,0,0,0,0|1,0,1]=4 15491 B14R0.394 C=CCCCCCCCCSCC(=C)C 62a_100011933949_100000211660 [0,2,0,0,0,0|1,0,1]=4 15492 B14R0.394 C=CCCCCCCCCSCC(=O)N 62a_100000747473_100011933949 [0,2,0,0,0,0|0,0,2]=4 15493 B14R0.394 C=CCCCCCCCCSCC(=O)N 62a_100011933949_100000747473 [0,2,0,0,0,0|0,0,2]=4 15494 B14R0.394 C=CCCCCCCCCSCC(=O)[O-] 62a_100011933949_100020667443 [0,2,0,0,0,0|0,0,2]=4 15495 B14R0.394 C=CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011933949 [0,2,0,0,0,0|0,0,2]=4 15496 B14R0.394 C=CCCCCCCCCSCC(C)C 62a_100000210624_100011933949 [0,2,0,0,0,0|1,0,0]=3 15497 B14R0.394 C=CCCCCCCCCSCC(C)C 62a_100011933949_100000210760 [0,2,0,0,0,0|1,0,0]=3 15498 B14R0.394 C=CCCCCCCCCSCC(C)O 62a_100011218427_100011933949 [0,2,0,0,0,0|1,0,0]=3 15499 B14R0.394 C=CCCCCCCCCSCC(C)O 62a_100011933949_100011218427 [0,2,0,0,0,0|1,0,0]=3 15500 B14R0.394 C=CCCCCCCCCSCC(F)F 62a_100011933949_100011934356 [0,2,0,0,0,0|2,0,0]=4 15501 B14R0.394 C=CCCCCCCCCSCC(F)F 62a_100011934356_100011933949 [0,2,0,0,0,0|2,0,0]=4 15502 B14R0.394 C=CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011933949 [0,2,0,0,0,0|1,0,0]=3 15503 B14R0.394 C=CCCCCCCCCSC[C@@H](C)O 62a_100011933949_100009817552 [0,2,0,0,0,0|1,0,0]=3 15504 B14R0.394 C=CCCCCCCCNCCC(C)O 2230a_200000755665_100012355270 [0,2,0,0,0,0|1,0,0]=3 15505 B14R0.394 C=CCCCCCCCOCCC(=C)C 34a_100000730831_100000730704 [0,2,0,0,0,0|1,0,1]=4 15506 B14R0.394 C=CCCCCCCCOCCC(=C)C 34a_100000764851_100012355270 [0,2,0,0,0,0|1,0,1]=4 15507 B14R0.394 C=CCCCCCCCOCCC(=C)C 7a_100000730831_100000730704 [0,2,0,0,0,0|1,0,1]=4 15508 B14R0.394 C=CCCCCCCCOCCC(=O)C 34a_100000759926_100012355270 [0,2,0,0,0,0|0,0,2]=4 15509 B14R0.394 C=CCCCCCCCOCCC(=O)C 7a_100000730831_100000053229 [0,2,0,0,0,0|0,0,2]=4 15510 B14R0.394 C=CCCCCCCCOCCC(=O)C 7a_100000759926_100012355270 [0,2,0,0,0,0|0,0,2]=4 15511 B14R0.394 C=CCCCCCCCOCCC(=O)N 34a_100000730831_100000731001 [0,2,0,0,0,0|0,0,2]=4 15512 B14R0.394 C=CCCCCCCCOCCC(=O)N 34a_100000757172_100012355270 [0,2,0,0,0,0|0,0,2]=4 15513 B14R0.394 C=CCCCCCCCOCCC(=O)N 7a_100000730831_100000744528 [0,2,0,0,0,0|0,0,2]=4 15514 B14R0.394 C=CCCCCCCCOCCC(=O)N 7a_100000757172_100012355270 [0,2,0,0,0,0|0,0,2]=4 15515 B14R0.394 C=CCCCCCCCOCCC(C)Br 34a_100009893172_100012355270 [0,2,0,0,0,0|1,0,0]=3 15516 B14R0.394 C=CCCCCCCCOCCC(C)C 34a_100000210254_100012355270 [0,2,0,0,0,0|1,0,0]=3 15517 B14R0.394 C=CCCCCCCCOCCC(C)C 34a_100000730831_100000210312 [0,2,0,0,0,0|1,0,0]=3 15518 B14R0.394 C=CCCCCCCCOCCC(C)C 7a_100000210254_100012355270 [0,2,0,0,0,0|1,0,0]=3 15519 B14R0.394 C=CCCCCCCCOCCC(C)C 7a_100000730831_100000210626 [0,2,0,0,0,0|1,0,0]=3 15520 B14R0.394 C=CCCCCCCCOCCC(C)O 34a_100000730831_100012276601 [0,2,0,0,0,0|1,0,0]=3 15521 B14R0.394 C=CCCCCCCCOCCC(C)O 7a_100000730831_100012276601 [0,2,0,0,0,0|1,0,0]=3 15522 B14R0.394 C=CCCCCCCCOCCC(F)F 34a_100103093639_100012355270 [0,2,0,0,0,0|2,0,0]=4 15523 B14R0.394 C=CCCCCCCCOCCN(C)C 7a_100000730831_100000755713 [0,2,0,0,0,0|2,0,0]=4 15524 B14R0.394 C=CCCCCCCCOCC[C@@H](C)N 34a_100000706166_100012355270 [0,2,0,0,0,0|1,0,0]=3 15525 B14R0.394 C=CCCCCCCCOCOC(C)C 34a_100000730831_100000709892 [0,2,0,0,0,0|2,0,0]=4 15526 B14R0.394 C=CCCCCCCCSCCC(=C)C 62a_100000730704_100012355270 [0,2,0,0,0,0|1,0,1]=4 15527 B14R0.394 C=CCCCCCCCSCCC(=C)C 62a_100012355270_100000730704 [0,2,0,0,0,0|1,0,1]=4 15528 B14R0.394 C=CCCCCCCCSCCC(=O)C 62a_100000053229_100012355270 [0,2,0,0,0,0|0,0,2]=4 15529 B14R0.394 C=CCCCCCCCSCCC(=O)C 62a_100012355270_100000053229 [0,2,0,0,0,0|0,0,2]=4 15530 B14R0.394 C=CCCCCCCCSCCC(=O)N 62a_100000744528_100012355270 [0,2,0,0,0,0|0,0,2]=4 15531 B14R0.394 C=CCCCCCCCSCCC(=O)N 62a_100012355270_100000744528 [0,2,0,0,0,0|0,0,2]=4 15532 B14R0.394 C=CCCCCCCCSCCC(C)C 62a_100000210312_100012355270 [0,2,0,0,0,0|1,0,0]=3 15533 B14R0.394 C=CCCCCCCCSCCC(C)C 62a_100012355270_100000210312 [0,2,0,0,0,0|1,0,0]=3 15534 B14R0.394 C=CCCCCCCCSCCC(C)O 62a_100012276601_100012355270 [0,2,0,0,0,0|1,0,0]=3 15535 B14R0.394 C=CCCCCCCCSCCC(C)O 62a_100012355270_100012276601 [0,2,0,0,0,0|1,0,0]=3 15536 B14R0.394 C=CCCCCCCCSCCN(C)C 62a_100012355270_100000755713 [0,2,0,0,0,0|2,0,0]=4 15537 B14R0.394 C=CCCCCCCCSCOC(C)C 62a_100000709892_100012355270 [0,2,0,0,0,0|2,0,0]=4 15538 B14R0.394 C=CCCCCCCCSCOC(C)C 62a_100012355270_100000709892 [0,2,0,0,0,0|2,0,0]=4 15539 B14R0.394 C=CCCCCCCNCCCC(=O)N 34a_100000739312_100011215473 [0,2,0,0,0,0|0,0,2]=4 15540 B14R0.394 C=CCCCCCCNCCCC(C)C 2230a_200000737386_100011215473 [0,2,0,0,0,0|1,0,0]=3 15541 B14R0.394 C=CCCCCCCNCCCC(C)C 34a_200000737386_100011215473 [0,2,0,0,0,0|1,0,0]=3 15542 B14R0.394 C=CCCCCCCNCCCS(=O)C 2230a_200000753449_100011215473 [0,2,0,0,0,0|2,0,0]=4 15543 B14R0.394 C=CCCCCCCNCCOC(C)C 2230a_100000701111_100011215473 [0,2,0,0,0,0|2,0,0]=4 15544 B14R0.394 C=CCCCCCCNCCOC(C)C 34a_100000701111_100011215473 [0,2,0,0,0,0|2,0,0]=4 15545 B14R0.394 C=CCCCCCCNCCSC(C)C 2230a_100000731138_100011215473 [0,2,0,0,0,0|2,0,0]=4 15546 B14R0.394 C=CCCCCCCNCCSC(C)C 34a_100000731138_100011215473 [0,2,0,0,0,0|2,0,0]=4 15547 B14R0.394 C=CCCCCCCOCCCC(=O)C 34a_100000759063_100011215473 [0,2,0,0,0,0|0,0,2]=4 15548 B14R0.394 C=CCCCCCCOCCCC(=O)C 34a_200011216477_100000685027 [0,2,0,0,0,0|0,0,2]=4 15549 B14R0.394 C=CCCCCCCOCCCC(=O)C 7a_100000759063_100011215473 [0,2,0,0,0,0|0,0,2]=4 15550 B14R0.394 C=CCCCCCCOCCCC(=O)C 7a_200011216477_100011215641 [0,2,0,0,0,0|0,0,2]=4 15551 B14R0.394 C=CCCCCCCOCCCC(=O)N 34a_200011216477_100102525003 [0,2,0,0,0,0|0,0,2]=4 15552 B14R0.394 C=CCCCCCCOCCCC(=O)N 7a_200011216477_100102525003 [0,2,0,0,0,0|0,0,2]=4 15553 B14R0.394 C=CCCCCCCOCCCC(C)C 34a_100000210774_100011215473 [0,2,0,0,0,0|1,0,0]=3 15554 B14R0.394 C=CCCCCCCOCCCC(C)C 34a_200011216477_100011214892 [0,2,0,0,0,0|1,0,0]=3 15555 B14R0.394 C=CCCCCCCOCCCC(C)C 7a_100000210774_100011215473 [0,2,0,0,0,0|1,0,0]=3 15556 B14R0.394 C=CCCCCCCOCCCC(C)C 7a_200011216477_100011214892 [0,2,0,0,0,0|1,0,0]=3 15557 B14R0.394 C=CCCCCCCOCCCC(C)O 34a_200011216477_200000718107 [0,2,0,0,0,0|1,0,0]=3 15558 B14R0.394 C=CCCCCCCOCCCC(C)O 7a_200011216477_200000718107 [0,2,0,0,0,0|1,0,0]=3 15559 B14R0.394 C=CCCCCCCOCCCN(C)C 7a_200011216477_100000757444 [0,2,0,0,0,0|2,0,0]=4 15560 B14R0.394 C=CCCCCCCOCCNC(C)C 34a_100000224655_100011215473 [0,2,0,0,0,0|2,0,0]=4 15561 B14R0.394 C=CCCCCCCOCCOC(C)C 34a_100000211219_100011215473 [0,2,0,0,0,0|2,0,0]=4 15562 B14R0.394 C=CCCCCCCOCCOC(C)C 34a_200011216477_100000211751 [0,2,0,0,0,0|2,0,0]=4 15563 B14R0.394 C=CCCCCCCOCCOC(C)C 7a_100000211219_100011215473 [0,2,0,0,0,0|2,0,0]=4 15564 B14R0.394 C=CCCCCCCOCCOC(C)C 7a_200011216477_100000211751 [0,2,0,0,0,0|2,0,0]=4 15565 B14R0.394 C=CCCCCCCOCCSC(C)C 34a_200011212901_100011215473 [0,2,0,0,0,0|2,0,0]=4 15566 B14R0.394 C=CCCCCCCOCCSC(C)C 34a_200011216477_100000730970 [0,2,0,0,0,0|2,0,0]=4 15567 B14R0.394 C=CCCCCCCOCCSC(C)C 7a_200011212901_100011215473 [0,2,0,0,0,0|2,0,0]=4 15568 B14R0.394 C=CCCCCCCOCCSC(C)C 7a_200011216477_100000730970 [0,2,0,0,0,0|2,0,0]=4 15569 B14R0.394 C=CCCCCCCSCCCC(=O)C 62a_100011215473_100011215641 [0,2,0,0,0,0|0,0,2]=4 15570 B14R0.394 C=CCCCCCCSCCCC(=O)C 62a_100011215641_100011215473 [0,2,0,0,0,0|0,0,2]=4 15571 B14R0.394 C=CCCCCCCSCCCC(=O)N 62a_100011215473_100102525003 [0,2,0,0,0,0|0,0,2]=4 15572 B14R0.394 C=CCCCCCCSCCCC(=O)N 62a_100102525003_100011215473 [0,2,0,0,0,0|0,0,2]=4 15573 B14R0.394 C=CCCCCCCSCCCC(C)C 62a_100011214892_100011215473 [0,2,0,0,0,0|1,0,0]=3 15574 B14R0.394 C=CCCCCCCSCCCC(C)C 62a_100011215473_100011214892 [0,2,0,0,0,0|1,0,0]=3 15575 B14R0.394 C=CCCCCCCSCCCC(C)O 62a_100011215473_200000718107 [0,2,0,0,0,0|1,0,0]=3 15576 B14R0.394 C=CCCCCCCSCCCC(C)O 62a_200000718107_100011215473 [0,2,0,0,0,0|1,0,0]=3 15577 B14R0.394 C=CCCCCCCSCCCN(C)C 62a_100011215473_100000757444 [0,2,0,0,0,0|2,0,0]=4 15578 B14R0.394 C=CCCCCCCSCCOC(C)C 62a_100000211751_100011215473 [0,2,0,0,0,0|2,0,0]=4 15579 B14R0.394 C=CCCCCCCSCCOC(C)C 62a_100011215473_100000211751 [0,2,0,0,0,0|2,0,0]=4 15580 B14R0.394 C=CCCCCCCSCCSC(C)C 62a_100000730970_100011215473 [0,2,0,0,0,0|2,0,0]=4 15581 B14R0.394 C=CCCCCCCSCCSC(C)C 62a_100011215473_100000730970 [0,2,0,0,0,0|2,0,0]=4 15582 B14R0.394 C=CCCCCCNCCCCC(=O)N 34a_100000696515_100000700193 [0,2,0,0,0,0|0,0,2]=4 15583 B14R0.394 C=CCCCCCNCCCOC(C)C 2230a_100000737246_100000700193 [0,2,0,0,0,0|2,0,0]=4 15584 B14R0.394 C=CCCCCCNCCCOC(C)C 34a_100000737246_100000700193 [0,2,0,0,0,0|2,0,0]=4 15585 B14R0.394 C=CCCCCCOCCCCC(=O)C 34a_100011216702_100009817362 [0,2,0,0,0,0|0,0,2]=4 15586 B14R0.394 C=CCCCCCOCCCCC(=O)C 7a_100011216702_100000735457 [0,2,0,0,0,0|0,0,2]=4 15587 B14R0.394 C=CCCCCCOCCCCC(=O)N 34a_100012022536_100000700193 [0,2,0,0,0,0|0,0,2]=4 15588 B14R0.394 C=CCCCCCOCCCCC(=O)N 7a_100012022536_100000700193 [0,2,0,0,0,0|0,0,2]=4 15589 B14R0.394 C=CCCCCCOCCCCC(C)C 34a_100011214890_100000700193 [0,2,0,0,0,0|1,0,0]=3 15590 B14R0.394 C=CCCCCCOCCCCC(C)C 34a_100011216702_100011216152 [0,2,0,0,0,0|1,0,0]=3 15591 B14R0.394 C=CCCCCCOCCCCC(C)C 7a_100011214890_100000700193 [0,2,0,0,0,0|1,0,0]=3 15592 B14R0.394 C=CCCCCCOCCCCC(C)C 7a_100011216702_100011216152 [0,2,0,0,0,0|1,0,0]=3 15593 B14R0.394 C=CCCCCCOCCCNC(C)C 34a_100000182298_100000700193 [0,2,0,0,0,0|2,0,0]=4 15594 B14R0.394 C=CCCCCCOCCNCC(C)C 34a_100015185251_100000700193 [0,2,0,0,0,0|2,0,0]=4 15595 B14R0.394 C=CCCCCCOCCOCC(C)C 34a_100000703358_100000700193 [0,2,0,0,0,0|2,0,0]=4 15596 B14R0.394 C=CCCCCCOCCOCC(C)C 7a_100000703358_100000700193 [0,2,0,0,0,0|2,0,0]=4 15597 B14R0.394 C=CCCCCCOCCSCC(C)C 34a_200000230437_100000700193 [0,2,0,0,0,0|2,0,0]=4 15598 B14R0.394 C=CCCCCCOCCSCC(C)C 7a_200000230437_100000700193 [0,2,0,0,0,0|2,0,0]=4 15599 B14R0.394 C=CCCCCCSCCCCC(=O)C 62a_100000700193_100000735457 [0,2,0,0,0,0|0,0,2]=4 15600 B14R0.394 C=CCCCCCSCCCCC(=O)C 62a_100000735457_100000700193 [0,2,0,0,0,0|0,0,2]=4 15601 B14R0.394 C=CCCCCCSCCCCC(C)C 62a_100000700193_100011216152 [0,2,0,0,0,0|1,0,0]=3 15602 B14R0.394 C=CCCCCCSCCCCC(C)C 62a_100011216152_100000700193 [0,2,0,0,0,0|1,0,0]=3 15603 B14R0.394 C=CCCCCCSCCCCN(C)C 62a_100000700193_100000690147 [0,2,0,0,0,0|2,0,0]=4 15604 B14R0.394 C=CCCCCNCCCCCC(=O)N 2230a_100000703577_100009817443 [0,2,0,0,0,0|0,0,2]=4 15605 B14R0.394 C=CCCCCNCCCCCC(=O)N 34a_100000703577_100009817443 [0,2,0,0,0,0|0,0,2]=4 15606 B14R0.394 C=CCCCCNCCCCCC(C)C 2230a_100000703577_100000210682 [0,2,0,0,0,0|1,0,0]=3 15607 B14R0.394 C=CCCCCNCCCCCC(C)C 2230a_100011290863_100011215482 [0,2,0,0,0,0|1,0,0]=3 15608 B14R0.394 C=CCCCCNCCCCCC(C)C 34a_100000703577_100000210682 [0,2,0,0,0,0|1,0,0]=3 15609 B14R0.394 C=CCCCCNCCCCCC(C)C 34a_100011290863_100011215482 [0,2,0,0,0,0|1,0,0]=3 15610 B14R0.394 C=CCCCCNCCCOCC(C)C 2230a_100000205972_100011215482 [0,2,0,0,0,0|2,0,0]=4 15611 B14R0.394 C=CCCCCNCCCOCC(C)C 34a_100000205972_100011215482 [0,2,0,0,0,0|2,0,0]=4 15612 B14R0.394 C=CCCCCOCCCCCC(=O)N 34a_100000123541_100011215482 [0,2,0,0,0,0|0,0,2]=4 15613 B14R0.394 C=CCCCCOCCCCCC(=O)N 34a_100000766645_100009817443 [0,2,0,0,0,0|0,0,2]=4 15614 B14R0.394 C=CCCCCOCCCCCC(=O)N 7a_100000123541_100011215482 [0,2,0,0,0,0|0,0,2]=4 15615 B14R0.394 C=CCCCCOCCCCCC(=O)N 7a_100000766645_100009817443 [0,2,0,0,0,0|0,0,2]=4 15616 B14R0.394 C=CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011215482 [0,2,0,0,0,0|0,0,2]=4 15617 B14R0.394 C=CCCCCOCCCCCC(C)C 34a_100000766645_100000210682 [0,2,0,0,0,0|1,0,0]=3 15618 B14R0.394 C=CCCCCOCCCCCC(C)C 34a_100011995859_100011215482 [0,2,0,0,0,0|1,0,0]=3 15619 B14R0.394 C=CCCCCOCCCCCC(C)C 7a_100000766645_100000210682 [0,2,0,0,0,0|1,0,0]=3 15620 B14R0.394 C=CCCCCOCCCCCC(C)C 7a_100011995859_100011215482 [0,2,0,0,0,0|1,0,0]=3 15621 B14R0.394 C=CCCCCOCCCCNC(C)C 34a_100011521146_100011215482 [0,2,0,0,0,0|2,0,0]=4 15622 B14R0.394 C=CCCCCSCCCCCC(=O)N 62a_100009817443_100011215482 [0,2,0,0,0,0|0,0,2]=4 15623 B14R0.394 C=CCCCCSCCCCCC(=O)N 62a_100011215482_100009817443 [0,2,0,0,0,0|0,0,2]=4 15624 B14R0.394 C=CCCCCSCCCCCC(C)C 62a_100000210682_100011215482 [0,2,0,0,0,0|1,0,0]=3 15625 B14R0.394 C=CCCCCSCCCCCC(C)C 62a_100011215482_100000210682 [0,2,0,0,0,0|1,0,0]=3 15626 B14R0.394 C=CCCCNCCCCCCC(C)C 2230a_100000211014_100011713584 [0,2,0,0,0,0|1,0,0]=3 15627 B14R0.394 C=CCCCNCCCCCCC(C)C 34a_100000211014_100000757094 [0,2,0,0,0,0|1,0,0]=3 15628 B14R0.394 C=CCCCOCCCCCNC(C)C 34a_100011629493_100000757094 [0,2,0,0,0,0|2,0,0]=4 15629 B14R0.394 C=CCCOCCCCCCCC(C)C 34a_200000210741_100000754431 [0,2,0,0,0,0|1,0,0]=3 15630 B14R0.394 C=CCCOCCCCCCCC(C)C 7a_200000210741_100000754431 [0,2,0,0,0,0|1,0,0]=3 15631 B14R0.394 C=CCOCCOCCCCCC(C)C 34a_100000037705_100000210682 [0,2,0,0,0,0|2,0,0]=4 15632 B14R0.394 C=CCOCCOCCCCCC(C)C 7a_100000037705_100000210682 [0,2,0,0,0,0|2,0,0]=4 15633 B14R0.394 C=COCCCCOCCCCC(C)C 34a_100000031558_100011216152 [0,2,0,0,0,0|2,0,0]=4 15634 B14R0.394 C=COCCCCOCCCCC(C)C 7a_100000031558_100011216152 [0,2,0,0,0,0|2,0,0]=4 15635 B14R0.394 C=COCCCNCCCCCC(C)C 2230a_100000210767_100000210682 [0,2,0,0,0,0|2,0,0]=4 15636 B14R0.394 C=COCCCNCCCCCC(C)C 34a_100000210767_100000210682 [0,2,0,0,0,0|2,0,0]=4 15637 B14R0.394 C=COCCNCCCCCCC(C)C 2230a_100000211014_100000039644 [0,2,0,0,0,0|2,0,0]=4 15638 B14R0.394 C=COCCNCCCCCCC(C)C 34a_100000211014_100000039644 [0,2,0,0,0,0|2,0,0]=4 15639 B14R0.394 CC(=O)CCCCCCCCCCCO 1458a_100000070787_100009812471 [0,2,0,0,0,0|0,0,0]=2 15640 B14R0.394 CC(=O)CCCCNCCCCCCO 34a_100000686447_100009817362 [0,2,0,0,0,0|1,0,0]=3 15641 B14R0.394 CC(=O)CCCCOCCCCCCBr 34a_100011215345_100009817362 [0,2,0,0,0,0|1,0,0]=3 15642 B14R0.394 CC(=O)CCCCOCCCCCCBr 7a_100011215345_100000735457 [0,2,0,0,0,0|1,0,0]=3 15643 B14R0.394 CC(=O)CCCCOCCCCCCCl 34a_100000766143_100009817362 [0,2,0,0,0,0|1,0,0]=3 15644 B14R0.394 CC(=O)CCCCOCCCCCCCl 7a_100000766143_100000735457 [0,2,0,0,0,0|1,0,0]=3 15645 B14R0.394 CC(=O)CCCCOCCCCCCF 34a_100000732779_100009817362 [0,2,0,0,0,0|1,0,0]=3 15646 B14R0.394 CC(=O)CCCCOCCCCCCF 7a_100000732779_100000735457 [0,2,0,0,0,0|1,0,0]=3 15647 B14R0.394 CC(=O)CCCCOCCCCCCN 34a_100000686447_100009817362 [0,2,0,0,0,0|1,0,0]=3 15648 B14R0.394 CC(=O)CCCCSCCCCCC#N 62a_100000735457_100009813376 [0,2,0,0,0,0|1,0,1]=4 15649 B14R0.394 CC(=O)CCCCSCCCCCC#N 62a_100009813376_100000735457 [0,2,0,0,0,0|1,0,1]=4 15650 B14R0.394 CC(=O)CCCCSCCCCCC=O 62a_100000139337_100000735457 [0,2,0,0,0,0|0,0,1]=3 15651 B14R0.394 CC(=O)CCCCSCCCCCC=O 62a_100000735457_100000139337 [0,2,0,0,0,0|0,0,1]=3 15652 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100000735457_100015922095 [0,2,0,0,0,0|1,0,0]=3 15653 B14R0.394 CC(=O)CCCCSCCCCCCF 62a_100015922095_100000735457 [0,2,0,0,0,0|1,0,0]=3 15654 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000735457_100000766143 [0,2,0,0,0,0|1,0,0]=3 15655 B14R0.394 CC(=O)CCCCSCCCCCCO 62a_100000766143_100000735457 [0,2,0,0,0,0|1,0,0]=3 15656 B14R0.394 CC(=O)CCCNCCCCCCCO 34a_100011996573_100000685027 [0,2,0,0,0,0|1,0,0]=3 15657 B14R0.394 CC(=O)CCCNCCCOCCCO 34a_100011310245_100000685027 [0,2,0,0,0,0|2,0,0]=4 15658 B14R0.394 CC(=O)CCCOCCCCCCC#N 7a_100000759063_100009813337 [0,2,0,0,0,0|1,0,1]=4 15659 B14R0.394 CC(=O)CCCOCCCCCCCBr 34a_100000760002_100000685027 [0,2,0,0,0,0|1,0,0]=3 15660 B14R0.394 CC(=O)CCCOCCCCCCCBr 7a_100000760002_100011215641 [0,2,0,0,0,0|1,0,0]=3 15661 B14R0.394 CC(=O)CCCOCCCCCCCN 34a_100011996573_100000685027 [0,2,0,0,0,0|1,0,0]=3 15662 B14R0.394 CC(=O)CCCOCCCCCCCO 34a_100000759063_100000760002 [0,2,0,0,0,0|1,0,0]=3 15663 B14R0.394 CC(=O)CCCOCCCCCCCO 7a_100000759063_100000760002 [0,2,0,0,0,0|1,0,0]=3 15664 B14R0.394 CC(=O)CCCOCCCOCCCN 34a_100011310245_100000685027 [0,2,0,0,0,0|2,0,0]=4 15665 B14R0.394 CC(=O)CCCSCCCCCCC#N 62a_100009813337_100011215641 [0,2,0,0,0,0|1,0,1]=4 15666 B14R0.394 CC(=O)CCCSCCCCCCC#N 62a_100011215641_100009813337 [0,2,0,0,0,0|1,0,1]=4 15667 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100000760002_100011215641 [0,2,0,0,0,0|1,0,0]=3 15668 B14R0.394 CC(=O)CCCSCCCCCCCO 62a_100011215641_100000760002 [0,2,0,0,0,0|1,0,0]=3 15669 B14R0.394 CC(=O)CCOCCCCCCCCBr 7a_100009813846_100000053229 [0,2,0,0,0,0|1,0,0]=3 15670 B14R0.394 CC(=O)CCOCCCCCCCCCl 7a_100000033203_100000053229 [0,2,0,0,0,0|1,0,0]=3 15671 B14R0.394 CC(=O)CCOCCCCCCCCO 34a_100000759926_100000033203 [0,2,0,0,0,0|1,0,0]=3 15672 B14R0.394 CC(=O)CCOCCCCCCCCO 7a_100000759926_100000033203 [0,2,0,0,0,0|1,0,0]=3 15673 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000033203_100000053229 [0,2,0,0,0,0|1,0,0]=3 15674 B14R0.394 CC(=O)CCSCCCCCCCCO 62a_100000053229_100000033203 [0,2,0,0,0,0|1,0,0]=3 15675 B14R0.394 CC(=O)COCCCCCCCCCO 34a_100000211253_100009813782 [0,2,0,0,0,0|1,0,0]=3 15676 B14R0.394 CC(=O)NCCCCCCCCCCO 240690a_100000066964_100015343762 [0,2,0,0,0,0|1,0,0]=3 15677 B14R0.394 CC(=O)NCCCCCCNCCCF 2230a_200011996284_100011934791 [0,2,0,0,0,0|2,0,0]=4 15678 B14R0.394 CC(=O)NCCCCCCNCCCF 34a_200011996284_100011934791 [0,2,0,0,0,0|2,0,0]=4 15679 B14R0.394 CC(=O)NCCCCCCNCCCO 2230a_200011996284_100000230001 [0,2,0,0,0,0|2,0,0]=4 15680 B14R0.394 CC(=O)NCCCCCCNCCCO 34a_200011996284_100000230001 [0,2,0,0,0,0|2,0,0]=4 15681 B14R0.394 CC(=O)NCCCCCNCCCC=O 2230a_200012022750_200011292268 [0,2,0,0,0,0|1,0,1]=4 15682 B14R0.394 CC(=O)NCCCCCNCCCCF 2230a_200012022750_100000729493 [0,2,0,0,0,0|2,0,0]=4 15683 B14R0.394 CC(=O)NCCCCCNCCCCF 34a_200012022750_100000729493 [0,2,0,0,0,0|2,0,0]=4 15684 B14R0.394 CC(=O)NCCCCCNCCCCO 2230a_200012022750_100000210776 [0,2,0,0,0,0|2,0,0]=4 15685 B14R0.394 CC(=O)NCCCCCNCCCCO 34a_200012022750_100011216708 [0,2,0,0,0,0|2,0,0]=4 15686 B14R0.394 CC(=O)NCCCCNCCCCC=O 2230a_200011368371_100000139335 [0,2,0,0,0,0|1,0,1]=4 15687 B14R0.394 CC(=O)NCCCCNCCCCCF 2230a_200011368371_100000729378 [0,2,0,0,0,0|2,0,0]=4 15688 B14R0.394 CC(=O)NCCCCNCCCCCF 34a_200011368371_100000729378 [0,2,0,0,0,0|2,0,0]=4 15689 B14R0.394 CC(=O)NCCCCNCCCCCO 2230a_200011368371_100000746330 [0,2,0,0,0,0|2,0,0]=4 15690 B14R0.394 CC(=O)NCCCCNCCCCCO 34a_200011368371_100000746330 [0,2,0,0,0,0|2,0,0]=4 15691 B14R0.394 CC(=O)NCCCNCCCCCCF 34a_100000736810_100015922095 [0,2,0,0,0,0|2,0,0]=4 15692 B14R0.394 CC(=O)NCCCNCCCCCCO 34a_100000736810_100000766143 [0,2,0,0,0,0|2,0,0]=4 15693 B14R0.394 CC(=O)NCCCOCCCCCCF 34a_100000752032_100015922095 [0,2,0,0,0,0|2,0,0]=4 15694 B14R0.394 CC(=O)NCCCOCCCCCCO 34a_100000752032_100000766143 [0,2,0,0,0,0|2,0,0]=4 15695 B14R0.394 CC(=O)NCCNCCCCCCCO 2230a_100000209853_100000760002 [0,2,0,0,0,0|2,0,0]=4 15696 B14R0.394 CC(=O)NCCNCCCCCCCO 2230a_100011996573_100000189650 [0,2,0,0,0,0|2,0,0]=4 15697 B14R0.394 CC(=O)NCCOCCCCCCCBr 7a_100000760002_100000189650 [0,2,0,0,0,0|2,0,0]=4 15698 B14R0.394 CC(=O)NCCOCCCCCCCO 34a_100000158858_100000760002 [0,2,0,0,0,0|2,0,0]=4 15699 B14R0.394 CC(=O)NCCSCCCCCCCO 62a_100000189650_100000760002 [0,2,0,0,0,0|2,0,0]=4 15700 B14R0.394 CC(=O)NCCSCCCCCCCO 62a_100000760002_100000189650 [0,2,0,0,0,0|2,0,0]=4 15701 B14R0.394 CC(=O)OCCCCCNCCCCO 2230a_100000750430_100009813381 [0,2,0,0,0,0|2,0,0]=4 15702 B14R0.394 CC(=O)OCCCCCNCCCCO 34a_100000750430_100000033007 [0,2,0,0,0,0|2,0,0]=4 15703 B14R0.394 CC(=O)OCCCCCOCCCCBr 34a_100011216708_100000033007 [0,2,0,0,0,0|2,0,0]=4 15704 B14R0.394 CC(=O)OCCCCCOCCCCCl 34a_100000210776_100000033007 [0,2,0,0,0,0|2,0,0]=4 15705 B14R0.394 CC(=O)OCCCCCOCCCCCl 7a_100000210776_100000033007 [0,2,0,0,0,0|2,0,0]=4 15706 B14R0.394 CC(=O)OCCCCCOCCCCF 34a_100011995726_100000033007 [0,2,0,0,0,0|2,0,0]=4 15707 B14R0.394 CC(=O)OCCCCCOCCCCF 7a_100011995726_100000033007 [0,2,0,0,0,0|2,0,0]=4 15708 B14R0.394 CC(=O)OCCCCCOCCCCI 34a_200012148704_100000033007 [0,2,0,0,0,0|2,0,0]=4 15709 B14R0.394 CC(=O)OCCCCCOCCCCN 34a_100000750430_100000033007 [0,2,0,0,0,0|2,0,0]=4 15710 B14R0.394 CC(=O)OCCCCCSCCCC=O 62a_100000033007_200011292268 [0,2,0,0,0,0|1,0,1]=4 15711 B14R0.394 CC(=O)OCCCCCSCCCC=O 62a_200011292268_100000033007 [0,2,0,0,0,0|1,0,1]=4 15712 B14R0.394 CC(=O)OCCCCCSCCCCF 62a_100000033007_100000729493 [0,2,0,0,0,0|2,0,0]=4 15713 B14R0.394 CC(=O)OCCCCCSCCCCF 62a_100000729493_100000033007 [0,2,0,0,0,0|2,0,0]=4 15714 B14R0.394 CC(=O)OCCCCCSCCCCO 62a_100000033007_100000210776 [0,2,0,0,0,0|2,0,0]=4 15715 B14R0.394 CC(=O)OCCCCCSCCCCO 62a_100000210776_100000033007 [0,2,0,0,0,0|2,0,0]=4 15716 B14R0.394 CC(=O)OCCCCNCCCCCO 34a_100000762737_100000033659 [0,2,0,0,0,0|2,0,0]=4 15717 B14R0.394 CC(=O)OCCCCOCCCCC=O 7a_100000073216_100000139335 [0,2,0,0,0,0|1,0,1]=4 15718 B14R0.394 CC(=O)OCCCCOCCCCCBr 34a_100000746331_100000033659 [0,2,0,0,0,0|2,0,0]=4 15719 B14R0.394 CC(=O)OCCCCOCCCCCBr 7a_100000746331_100000033659 [0,2,0,0,0,0|2,0,0]=4 15720 B14R0.394 CC(=O)OCCCCOCCCCCCl 34a_100000746330_100000033659 [0,2,0,0,0,0|2,0,0]=4 15721 B14R0.394 CC(=O)OCCCCOCCCCCCl 7a_100000746330_100000033659 [0,2,0,0,0,0|2,0,0]=4 15722 B14R0.394 CC(=O)OCCCCOCCCCCF 34a_100000073216_100000729378 [0,2,0,0,0,0|2,0,0]=4 15723 B14R0.394 CC(=O)OCCCCOCCCCCF 7a_100000073216_100000729378 [0,2,0,0,0,0|2,0,0]=4 15724 B14R0.394 CC(=O)OCCCCOCCCCCI 34a_200012148887_100000033659 [0,2,0,0,0,0|2,0,0]=4 15725 B14R0.394 CC(=O)OCCCCOCCCCCI 7a_200012148887_100000033659 [0,2,0,0,0,0|2,0,0]=4 15726 B14R0.394 CC(=O)OCCCCOCCCCCN 34a_100000762737_100000033659 [0,2,0,0,0,0|2,0,0]=4 15727 B14R0.394 CC(=O)OCCCCOCCCCCO 34a_100000073216_100000746330 [0,2,0,0,0,0|2,0,0]=4 15728 B14R0.394 CC(=O)OCCCCOCCCCCO 7a_100000073216_100000746330 [0,2,0,0,0,0|2,0,0]=4 15729 B14R0.394 CC(=O)OCCCCSCCCCC=O 62a_100000033659_100000139335 [0,2,0,0,0,0|1,0,1]=4 15730 B14R0.394 CC(=O)OCCCCSCCCCC=O 62a_100000139335_100000033659 [0,2,0,0,0,0|1,0,1]=4 15731 B14R0.394 CC(=O)OCCCCSCCCCCF 62a_100000033659_100000729378 [0,2,0,0,0,0|2,0,0]=4 15732 B14R0.394 CC(=O)OCCCCSCCCCCF 62a_100000729378_100000033659 [0,2,0,0,0,0|2,0,0]=4 15733 B14R0.394 CC(=O)OCCCCSCCCCCO 62a_100000033659_100000746330 [0,2,0,0,0,0|2,0,0]=4 15734 B14R0.394 CC(=O)OCCCCSCCCCCO 62a_100000746330_100000033659 [0,2,0,0,0,0|2,0,0]=4 15735 B14R0.394 CC(=O)OCCCNCCCCCCO 34a_100000686447_100000042594 [0,2,0,0,0,0|2,0,0]=4 15736 B14R0.394 CC(=O)OCCCOCCCCCCBr 34a_100011215345_100000042594 [0,2,0,0,0,0|2,0,0]=4 15737 B14R0.394 CC(=O)OCCCOCCCCCCBr 7a_100011215345_100000042594 [0,2,0,0,0,0|2,0,0]=4 15738 B14R0.394 CC(=O)OCCCOCCCCCCCl 34a_100000766143_100000042594 [0,2,0,0,0,0|2,0,0]=4 15739 B14R0.394 CC(=O)OCCCOCCCCCCCl 7a_100000766143_100000042594 [0,2,0,0,0,0|2,0,0]=4 15740 B14R0.394 CC(=O)OCCCOCCCCCCF 34a_100000732779_100000042594 [0,2,0,0,0,0|2,0,0]=4 15741 B14R0.394 CC(=O)OCCCOCCCCCCF 7a_100000732779_100000042594 [0,2,0,0,0,0|2,0,0]=4 15742 B14R0.394 CC(=O)OCCCOCCCCCCN 34a_100000686447_100000042594 [0,2,0,0,0,0|2,0,0]=4 15743 B14R0.394 CC(=O)OCCCSCCCCCC=O 62a_100000042594_100000139337 [0,2,0,0,0,0|1,0,1]=4 15744 B14R0.394 CC(=O)OCCCSCCCCCC=O 62a_100000139337_100000042594 [0,2,0,0,0,0|1,0,1]=4 15745 B14R0.394 CC(=O)OCCCSCCCCCCF 62a_100000042594_100015922095 [0,2,0,0,0,0|2,0,0]=4 15746 B14R0.394 CC(=O)OCCCSCCCCCCF 62a_100015922095_100000042594 [0,2,0,0,0,0|2,0,0]=4 15747 B14R0.394 CC(=O)OCCCSCCCCCCO 62a_100000042594_100000766143 [0,2,0,0,0,0|2,0,0]=4 15748 B14R0.394 CC(=O)OCCCSCCCCCCO 62a_100000766143_100000042594 [0,2,0,0,0,0|2,0,0]=4 15749 B14R0.394 CC(=O)OCCNCCCCCCCO 34a_100011996573_100009814007 [0,2,0,0,0,0|2,0,0]=4 15750 B14R0.394 CC(=O)OCCOCCCCCCCBr 34a_100000760002_100009814007 [0,2,0,0,0,0|2,0,0]=4 15751 B14R0.394 CC(=O)OCCOCCCCCCCBr 7a_100000760002_100009814007 [0,2,0,0,0,0|2,0,0]=4 15752 B14R0.394 CC(=O)OCCOCCCCCCCN 34a_100011996573_100009814007 [0,2,0,0,0,0|2,0,0]=4 15753 B14R0.394 CC(=O)OCCSCCCCCCCO 62a_100000760002_100009814007 [0,2,0,0,0,0|2,0,0]=4 15754 B14R0.394 CC(=O)OCCSCCCCCCCO 62a_100009814007_100000760002 [0,2,0,0,0,0|2,0,0]=4 15755 B14R0.394 CC(=O)OCNCCCCCCCCO 34a_102515433106_100009813279 [0,2,0,0,0,0|2,0,0]=4 15756 B14R0.394 CC(=O)OCOCCCCCCCCBr 34a_100009813846_100009813279 [0,2,0,0,0,0|2,0,0]=4 15757 B14R0.394 CC(=O)OCOCCCCCCCCCl 34a_100000033203_100009813279 [0,2,0,0,0,0|2,0,0]=4 15758 B14R0.394 CC(=O)OCOCCCCCCCCN 34a_102515433106_100009813279 [0,2,0,0,0,0|2,0,0]=4 15759 B14R0.394 CC(=O)OCSCCCCCCCCO 62a_100000033203_100000076356 [0,2,0,0,0,0|2,0,0]=4 15760 B14R0.394 CC(=O)OCSCCCCCCCCO 62a_100000076356_100000033203 [0,2,0,0,0,0|2,0,0]=4 15761 B14R0.394 CC(=O)SCCCCNCCCCCO 2230a_100000762737_200010402107 [0,2,0,0,0,0|2,0,0]=4 15762 B14R0.394 CC(=O)SCCCCNCCCCCO 34a_100000762737_200010402107 [0,2,0,0,0,0|2,0,0]=4 15763 B14R0.394 CC(=O)SCCCCOCCCCCBr 34a_100000746331_200010402107 [0,2,0,0,0,0|2,0,0]=4 15764 B14R0.394 CC(=O)SCCCCOCCCCCBr 7a_100000746331_200010402107 [0,2,0,0,0,0|2,0,0]=4 15765 B14R0.394 CC(=O)SCCCCOCCCCCCl 34a_100000746330_200010402107 [0,2,0,0,0,0|2,0,0]=4 15766 B14R0.394 CC(=O)SCCCCOCCCCCCl 7a_100000746330_200010402107 [0,2,0,0,0,0|2,0,0]=4 15767 B14R0.394 CC(=O)SCCCCOCCCCCI 34a_200012148887_200010402107 [0,2,0,0,0,0|2,0,0]=4 15768 B14R0.394 CC(=O)SCCCCOCCCCCI 7a_200012148887_200010402107 [0,2,0,0,0,0|2,0,0]=4 15769 B14R0.394 CC(=O)SCCCCOCCCCCN 34a_100000762737_200010402107 [0,2,0,0,0,0|2,0,0]=4 15770 B14R0.394 CC(=O)SCCCCSCCCCC=O 62a_100000139335_200010402107 [0,2,0,0,0,0|1,0,1]=4 15771 B14R0.394 CC(=O)SCCCCSCCCCC=O 62a_200010402107_100000139335 [0,2,0,0,0,0|1,0,1]=4 15772 B14R0.394 CC(=O)SCCCCSCCCCCF 62a_100000729378_200010402107 [0,2,0,0,0,0|2,0,0]=4 15773 B14R0.394 CC(=O)SCCCCSCCCCCF 62a_200010402107_100000729378 [0,2,0,0,0,0|2,0,0]=4 15774 B14R0.394 CC(=O)SCCCCSCCCCCO 62a_100000746330_200010402107 [0,2,0,0,0,0|2,0,0]=4 15775 B14R0.394 CC(=O)SCCCCSCCCCCO 62a_200010402107_100000746330 [0,2,0,0,0,0|2,0,0]=4 15776 B14R0.394 CC(=O)SCCCNCCCCCCO 2230a_100000686447_100000038929 [0,2,0,0,0,0|2,0,0]=4 15777 B14R0.394 CC(=O)SCCCNCCCCCCO 34a_100000686447_100000038929 [0,2,0,0,0,0|2,0,0]=4 15778 B14R0.394 CC(=O)SCCCOCCCCCCBr 34a_100011215345_100000038929 [0,2,0,0,0,0|2,0,0]=4 15779 B14R0.394 CC(=O)SCCCOCCCCCCBr 7a_100011215345_100000038929 [0,2,0,0,0,0|2,0,0]=4 15780 B14R0.394 CC(=O)SCCCOCCCCCCCl 34a_100000766143_100000038929 [0,2,0,0,0,0|2,0,0]=4 15781 B14R0.394 CC(=O)SCCCOCCCCCCCl 7a_100000766143_100000038929 [0,2,0,0,0,0|2,0,0]=4 15782 B14R0.394 CC(=O)SCCCOCCCCCCF 34a_100000732779_100000038929 [0,2,0,0,0,0|2,0,0]=4 15783 B14R0.394 CC(=O)SCCCOCCCCCCF 7a_100000732779_100000038929 [0,2,0,0,0,0|2,0,0]=4 15784 B14R0.394 CC(=O)SCCCOCCCCCCN 34a_100000686447_100000038929 [0,2,0,0,0,0|2,0,0]=4 15785 B14R0.394 CC(=O)SCCCSCCCCCC=O 62a_100000038929_100000139337 [0,2,0,0,0,0|1,0,1]=4 15786 B14R0.394 CC(=O)SCCCSCCCCCC=O 62a_100000139337_100000038929 [0,2,0,0,0,0|1,0,1]=4 15787 B14R0.394 CC(=O)SCCCSCCCCCCF 62a_100000038929_100015922095 [0,2,0,0,0,0|2,0,0]=4 15788 B14R0.394 CC(=O)SCCCSCCCCCCF 62a_100015922095_100000038929 [0,2,0,0,0,0|2,0,0]=4 15789 B14R0.394 CC(=O)SCCCSCCCCCCO 62a_100000038929_100000766143 [0,2,0,0,0,0|2,0,0]=4 15790 B14R0.394 CC(=O)SCCCSCCCCCCO 62a_100000766143_100000038929 [0,2,0,0,0,0|2,0,0]=4 15791 B14R0.394 CC(=S)OCCCSCCCCCC=O 62a_100000139337_200135323944 [0,2,0,0,0,0|1,0,1]=4 15792 B14R0.394 CC(=S)OCCCSCCCCCC=O 62a_200135323944_100000139337 [0,2,0,0,0,0|1,0,1]=4 15793 B14R0.394 CC(Br)CCOCCCCCCCCO 34a_100009893172_100000033203 [0,2,0,0,0,0|0,0,2]=4 15794 B14R0.394 CC(Br)COCCCCCCCCCO 34a_100012180447_100009813782 [0,2,0,0,0,0|0,0,2]=4 15795 B14R0.394 CC(C)CCCCCCCOCCC#N 7a_200000210741_100000184422 [0,2,0,0,0,0|1,0,1]=4 15796 B14R0.394 CC(C)CCCCCCCOCCCF 34a_200000210741_100011934791 [0,2,0,0,0,0|1,0,1]=4 15797 B14R0.394 CC(C)CCCCCCCOCCCF 7a_200000210741_100011934791 [0,2,0,0,0,0|1,0,1]=4 15798 B14R0.394 CC(C)CCCCCCCOCCCO 34a_200000210741_100000230001 [0,2,0,0,0,0|0,0,2]=4 15799 B14R0.394 CC(C)CCCCCCCOCCCO 7a_200000210741_100011215043 [0,2,0,0,0,0|0,0,2]=4 15800 B14R0.394 CC(C)CCCCCCNCCCC#N 2230a_100000211014_100000687738 [0,2,0,0,0,0|1,0,1]=4 15801 B14R0.394 CC(C)CCCCCCNCCCC=O 2230a_100000211014_200011292268 [0,2,0,0,0,0|0,0,0]=2 15802 B14R0.394 CC(C)CCCCCCNCCCCF 2230a_100000211014_100000729493 [0,2,0,0,0,0|1,0,1]=4 15803 B14R0.394 CC(C)CCCCCCNCCCCF 34a_100000211014_100000729493 [0,2,0,0,0,0|1,0,1]=4 15804 B14R0.394 CC(C)CCCCCCNCCCCO 2230a_100000211014_100000210776 [0,2,0,0,0,0|0,0,2]=4 15805 B14R0.394 CC(C)CCCCCCNCCCCO 34a_100000211014_100011216708 [0,2,0,0,0,0|0,0,2]=4 15806 B14R0.394 CC(C)CCCCCNCCCCC#N 2230a_100011290863_100000211819 [0,2,0,0,0,0|1,0,1]=4 15807 B14R0.394 CC(C)CCCCCNCCCCC=O 2230a_100011290863_100000139335 [0,2,0,0,0,0|0,0,0]=2 15808 B14R0.394 CC(C)CCCCCNCCCCCF 2230a_100011290863_100000729378 [0,2,0,0,0,0|1,0,1]=4 15809 B14R0.394 CC(C)CCCCCNCCCCCF 34a_100011290863_100000729378 [0,2,0,0,0,0|1,0,1]=4 15810 B14R0.394 CC(C)CCCCCNCCCCCO 2230a_100000762737_100000210682 [0,2,0,0,0,0|0,0,2]=4 15811 B14R0.394 CC(C)CCCCCNCCCCCO 2230a_100011290863_100000746330 [0,2,0,0,0,0|0,0,2]=4 15812 B14R0.394 CC(C)CCCCCNCCCCCO 34a_100000762737_100000210682 [0,2,0,0,0,0|0,0,2]=4 15813 B14R0.394 CC(C)CCCCCNCCCCCO 34a_100011290863_100000746330 [0,2,0,0,0,0|0,0,2]=4 15814 B14R0.394 CC(C)CCCCCOCCCCC#N 7a_100011995859_100000211819 [0,2,0,0,0,0|1,0,1]=4 15815 B14R0.394 CC(C)CCCCCOCCCCC=O 7a_100011995859_100000139335 [0,2,0,0,0,0|0,0,0]=2 15816 B14R0.394 CC(C)CCCCCOCCCCCBr 34a_100000746331_100000210682 [0,2,0,0,0,0|1,0,1]=4 15817 B14R0.394 CC(C)CCCCCOCCCCCBr 7a_100000746331_100000210682 [0,2,0,0,0,0|1,0,1]=4 15818 B14R0.394 CC(C)CCCCCOCCCCCCl 34a_100000746330_100000210682 [0,2,0,0,0,0|1,0,1]=4 15819 B14R0.394 CC(C)CCCCCOCCCCCCl 7a_100000746330_100000210682 [0,2,0,0,0,0|1,0,1]=4 15820 B14R0.394 CC(C)CCCCCOCCCCCF 34a_100011995859_100000729378 [0,2,0,0,0,0|1,0,1]=4 15821 B14R0.394 CC(C)CCCCCOCCCCCF 7a_100011995859_100000729378 [0,2,0,0,0,0|1,0,1]=4 15822 B14R0.394 CC(C)CCCCCOCCCCCI 34a_200012148887_100000210682 [0,2,0,0,0,0|1,0,1]=4 15823 B14R0.394 CC(C)CCCCCOCCCCCI 7a_200012148887_100000210682 [0,2,0,0,0,0|1,0,1]=4 15824 B14R0.394 CC(C)CCCCCOCCCCCN 34a_100000762737_100000210682 [0,2,0,0,0,0|1,0,1]=4 15825 B14R0.394 CC(C)CCCCCOCCCCCO 34a_100011995859_100000746330 [0,2,0,0,0,0|0,0,2]=4 15826 B14R0.394 CC(C)CCCCCOCCCCCO 7a_100011995859_100000746330 [0,2,0,0,0,0|0,0,2]=4 15827 B14R0.394 CC(C)CCCCCSCCCCC#N 62a_100000210682_100000211819 [0,2,0,0,0,0|1,0,1]=4 15828 B14R0.394 CC(C)CCCCCSCCCCC#N 62a_100011219923_100000210682 [0,2,0,0,0,0|1,0,1]=4 15829 B14R0.394 CC(C)CCCCCSCCCCC=O 62a_100000139335_100000210682 [0,2,0,0,0,0|0,0,0]=2 15830 B14R0.394 CC(C)CCCCCSCCCCC=O 62a_100000210682_100000139335 [0,2,0,0,0,0|0,0,0]=2 15831 B14R0.394 CC(C)CCCCCSCCCCCF 62a_100000210682_100000729378 [0,2,0,0,0,0|1,0,1]=4 15832 B14R0.394 CC(C)CCCCCSCCCCCF 62a_100000729378_100000210682 [0,2,0,0,0,0|1,0,1]=4 15833 B14R0.394 CC(C)CCCCCSCCCCCO 62a_100000210682_100000746330 [0,2,0,0,0,0|0,0,2]=4 15834 B14R0.394 CC(C)CCCCCSCCCCCO 62a_100000746330_100000210682 [0,2,0,0,0,0|0,0,2]=4 15835 B14R0.394 CC(C)CCCCNCCCCCCO 2230a_100000686447_100011216152 [0,2,0,0,0,0|0,0,2]=4 15836 B14R0.394 CC(C)CCCCNCCCCCCO 34a_100000686447_100011216152 [0,2,0,0,0,0|0,0,2]=4 15837 B14R0.394 CC(C)CCCCOCCCCCC#N 7a_100011214890_100009813376 [0,2,0,0,0,0|1,0,1]=4 15838 B14R0.394 CC(C)CCCCOCCCCCC=O 7a_100011214890_100000139337 [0,2,0,0,0,0|0,0,0]=2 15839 B14R0.394 CC(C)CCCCOCCCCCCBr 34a_100011215345_100011216152 [0,2,0,0,0,0|1,0,1]=4 15840 B14R0.394 CC(C)CCCCOCCCCCCBr 7a_100011215345_100011216152 [0,2,0,0,0,0|1,0,1]=4 15841 B14R0.394 CC(C)CCCCOCCCCCCCl 34a_100000766143_100011216152 [0,2,0,0,0,0|1,0,1]=4 15842 B14R0.394 CC(C)CCCCOCCCCCCCl 7a_100000766143_100011216152 [0,2,0,0,0,0|1,0,1]=4 15843 B14R0.394 CC(C)CCCCOCCCCCCF 34a_100000732779_100011216152 [0,2,0,0,0,0|1,0,1]=4 15844 B14R0.394 CC(C)CCCCOCCCCCCF 34a_100011214890_100015922095 [0,2,0,0,0,0|1,0,1]=4 15845 B14R0.394 CC(C)CCCCOCCCCCCF 7a_100000732779_100011216152 [0,2,0,0,0,0|1,0,1]=4 15846 B14R0.394 CC(C)CCCCOCCCCCCF 7a_100011214890_100015922095 [0,2,0,0,0,0|1,0,1]=4 15847 B14R0.394 CC(C)CCCCOCCCCCCN 34a_100000686447_100011216152 [0,2,0,0,0,0|1,0,1]=4 15848 B14R0.394 CC(C)CCCCOCCCCCCO 34a_100011214890_100000766143 [0,2,0,0,0,0|0,0,2]=4 15849 B14R0.394 CC(C)CCCCOCCCCCCO 7a_100011214890_100000766143 [0,2,0,0,0,0|0,0,2]=4 15850 B14R0.394 CC(C)CCCCSCCCCCC#N 62a_100009813376_100011216152 [0,2,0,0,0,0|1,0,1]=4 15851 B14R0.394 CC(C)CCCCSCCCCCC#N 62a_100011216152_100009813376 [0,2,0,0,0,0|1,0,1]=4 15852 B14R0.394 CC(C)CCCCSCCCCCC=O 62a_100000139337_100011216152 [0,2,0,0,0,0|0,0,0]=2 15853 B14R0.394 CC(C)CCCCSCCCCCC=O 62a_100011216152_100000139337 [0,2,0,0,0,0|0,0,0]=2 15854 B14R0.394 CC(C)CCCCSCCCCCCF 62a_100011216152_100015922095 [0,2,0,0,0,0|1,0,1]=4 15855 B14R0.394 CC(C)CCCCSCCCCCCF 62a_100015922095_100011216152 [0,2,0,0,0,0|1,0,1]=4 15856 B14R0.394 CC(C)CCCCSCCCCCCO 62a_100000766143_100011216152 [0,2,0,0,0,0|0,0,2]=4 15857 B14R0.394 CC(C)CCCCSCCCCCCO 62a_100011216152_100000766143 [0,2,0,0,0,0|0,0,2]=4 15858 B14R0.394 CC(C)CCCNCCCCCCC#N 2230a_200000737386_100009813337 [0,2,0,0,0,0|1,0,1]=4 15859 B14R0.394 CC(C)CCCNCCCCCCCO 2230a_100011996573_100011214892 [0,2,0,0,0,0|0,0,2]=4 15860 B14R0.394 CC(C)CCCNCCCCCCCO 2230a_200000737386_100000760002 [0,2,0,0,0,0|0,0,2]=4 15861 B14R0.394 CC(C)CCCNCCCCCCCO 34a_100011996573_100011214892 [0,2,0,0,0,0|0,0,2]=4 15862 B14R0.394 CC(C)CCCNCCCCCCCO 34a_200000737386_100000760002 [0,2,0,0,0,0|0,0,2]=4 15863 B14R0.394 CC(C)CCCOCCCCCCC#N 7a_100000210774_100009813337 [0,2,0,0,0,0|1,0,1]=4 15864 B14R0.394 CC(C)CCCOCCCCCCCBr 34a_100000760002_100011214892 [0,2,0,0,0,0|1,0,1]=4 15865 B14R0.394 CC(C)CCCOCCCCCCCBr 7a_100000760002_100011214892 [0,2,0,0,0,0|1,0,1]=4 15866 B14R0.394 CC(C)CCCOCCCCCCCN 34a_100011996573_100011214892 [0,2,0,0,0,0|1,0,1]=4 15867 B14R0.394 CC(C)CCCOCCCCCCCO 34a_100000210774_100000760002 [0,2,0,0,0,0|0,0,2]=4 15868 B14R0.394 CC(C)CCCOCCCCCCCO 7a_100000210774_100000760002 [0,2,0,0,0,0|0,0,2]=4 15869 B14R0.394 CC(C)CCCSCCCCCCC#N 62a_100009813337_100011214892 [0,2,0,0,0,0|1,0,1]=4 15870 B14R0.394 CC(C)CCCSCCCCCCC#N 62a_100011214892_100009813337 [0,2,0,0,0,0|1,0,1]=4 15871 B14R0.394 CC(C)CCCSCCCCCCCO 62a_100000760002_100011214892 [0,2,0,0,0,0|0,0,2]=4 15872 B14R0.394 CC(C)CCCSCCCCCCCO 62a_100011214892_100000760002 [0,2,0,0,0,0|0,0,2]=4 15873 B14R0.394 CC(C)CCNCCCCCCCCO 2230a_102515433106_100000210312 [0,2,0,0,0,0|0,0,2]=4 15874 B14R0.394 CC(C)CCNCCCCCCCCO 269862a_102515433106_100000185833 [0,2,0,0,0,0|0,0,2]=4 15875 B14R0.394 CC(C)CCNCCCCCCCCO 34a_102515433106_100000210312 [0,2,0,0,0,0|0,0,2]=4 15876 B14R0.394 CC(C)CCOCCCCCCCCBr 34a_100009813846_100000210312 [0,2,0,0,0,0|1,0,1]=4 15877 B14R0.394 CC(C)CCOCCCCCCCCBr 7a_100009813846_100000210626 [0,2,0,0,0,0|1,0,1]=4 15878 B14R0.394 CC(C)CCOCCCCCCCCCl 34a_100000033203_100000210312 [0,2,0,0,0,0|1,0,1]=4 15879 B14R0.394 CC(C)CCOCCCCCCCCCl 7a_100000033203_100000210626 [0,2,0,0,0,0|1,0,1]=4 15880 B14R0.394 CC(C)CCOCCCCCCCCN 34a_102515433106_100000210312 [0,2,0,0,0,0|1,0,1]=4 15881 B14R0.394 CC(C)CCOCCCCCCCCO 34a_100000210254_100000033203 [0,2,0,0,0,0|0,0,2]=4 15882 B14R0.394 CC(C)CCOCCCCCCCCO 7a_100000210254_100000033203 [0,2,0,0,0,0|0,0,2]=4 15883 B14R0.394 CC(C)CCSCCCCCCCCO 62a_100000033203_100000210312 [0,2,0,0,0,0|0,0,2]=4 15884 B14R0.394 CC(C)CCSCCCCCCCCO 62a_100000210312_100000033203 [0,2,0,0,0,0|0,0,2]=4 15885 B14R0.394 CC(C)CNCCCCCCCCCO 2230a_100000078944_100000210760 [0,2,0,0,0,0|0,0,2]=4 15886 B14R0.394 CC(C)CNCCCCCCCCCO 2230a_100000210953_100009813782 [0,2,0,0,0,0|0,0,2]=4 15887 B14R0.394 CC(C)CNCCCCCCCCCO 270004a_100000078944_100000210432 [0,2,0,0,0,0|0,0,2]=4 15888 B14R0.394 CC(C)CNCCCCCCCCCO 34a_100000078944_100000210624 [0,2,0,0,0,0|0,0,2]=4 15889 B14R0.394 CC(C)CNCCCCCCCCCO 34a_100000210953_100009813782 [0,2,0,0,0,0|0,0,2]=4 15890 B14R0.394 CC(C)COCCCCCCCCCBr 34a_100009813782_100000210624 [0,2,0,0,0,0|1,0,1]=4 15891 B14R0.394 CC(C)COCCCCCCCCCBr 7a_100009813782_100000210760 [0,2,0,0,0,0|1,0,1]=4 15892 B14R0.394 CC(C)COCCCCCCCCCCl 34a_100009868337_100000210624 [0,2,0,0,0,0|1,0,1]=4 15893 B14R0.394 CC(C)COCCCCCCCCCCl 7a_100009868337_100000210760 [0,2,0,0,0,0|1,0,1]=4 15894 B14R0.394 CC(C)COCCCCCCCCCN 34a_100000078944_100000210624 [0,2,0,0,0,0|1,0,1]=4 15895 B14R0.394 CC(C)COCCCCCCCCCO 34a_100000210257_100009813782 [0,2,0,0,0,0|0,0,2]=4 15896 B14R0.394 CC(C)COCCCNCCCCC=O 2230a_100000205972_100000139335 [0,2,0,0,0,0|1,0,0]=3 15897 B14R0.394 CC(C)COCCOCCCCCC=O 7a_100000703358_100000139337 [0,2,0,0,0,0|1,0,0]=3 15898 B14R0.394 CC(C)CSCCCCCCCCCO 62a_100000210624_100009813782 [0,2,0,0,0,0|0,0,2]=4 15899 B14R0.394 CC(C)CSCCCCCCCCCO 62a_100009813782_100000210760 [0,2,0,0,0,0|0,0,2]=4 15900 B14R0.394 CC(C)CSCCOCCCCCC=O 7a_200000230437_100000139337 [0,2,0,0,0,0|1,0,0]=3 15901 B14R0.394 CC(C)NCCCCCCCCCCO 2230a_100000066964_100000210206 [0,2,0,0,0,0|0,0,2]=4 15902 B14R0.394 CC(C)NCCCCCCCCCCO 2230a_100138425928_100009813290 [0,2,0,0,0,0|0,0,2]=4 15903 B14R0.394 CC(C)NCCCCCCCCCCO 34a_100000066964_100000210206 [0,2,0,0,0,0|0,0,2]=4 15904 B14R0.394 CC(C)NCCCCCCCCCCO 34a_100138425928_100009813290 [0,2,0,0,0,0|0,0,2]=4 15905 B14R0.394 CC(C)OCCCCCCCCCCBr 34a_100009813290_100000210206 [0,2,0,0,0,0|1,0,1]=4 15906 B14R0.394 CC(C)OCCCCCCCCCCBr 7a_100009813290_100000210206 [0,2,0,0,0,0|1,0,1]=4 15907 B14R0.394 CC(C)OCCCCCCCCCCCl 34a_200000033068_100000210206 [0,2,0,0,0,0|1,0,1]=4 15908 B14R0.394 CC(C)OCCCCCCCCCCCl 7a_200000033068_100000210206 [0,2,0,0,0,0|1,0,1]=4 15909 B14R0.394 CC(C)OCCCCCCCCCCN 34a_100000066964_100000210206 [0,2,0,0,0,0|1,0,1]=4 15910 B14R0.394 CC(C)OCCCCCCCCCCO 34a_100000212225_100009813290 [0,2,0,0,0,0|0,0,2]=4 15911 B14R0.394 CC(C)OCCCNCCCCCC=O 2230a_100000737246_100000139337 [0,2,0,0,0,0|1,0,0]=3 15912 B14R0.394 CC(C)SCCCCCCCCCCO 62a_100000210206_200000033068 [0,2,0,0,0,0|0,0,2]=4 15913 B14R0.394 CC(C)SCCCCCCCCCCO 62a_100009813290_100000210206 [0,2,0,0,0,0|0,0,2]=4 15914 B14R0.394 CC(F)COCCCCCCCCCO 34a_100015925927_100009813782 [0,2,0,0,0,0|0,0,2]=4 15915 B14R0.394 CC(O)CCCNCCCCCCCO 2230a_100011996573_200000718107 [0,2,0,0,0,0|0,0,2]=4 15916 B14R0.394 CC(O)CCCNCCCCCCCO 34a_100011996573_200000718107 [0,2,0,0,0,0|0,0,2]=4 15917 B14R0.394 CC(O)CCCOCCCCCCCBr 34a_100000760002_200000718107 [0,2,0,0,0,0|1,0,1]=4 15918 B14R0.394 CC(O)CCCOCCCCCCCBr 7a_100000760002_200000718107 [0,2,0,0,0,0|1,0,1]=4 15919 B14R0.394 CC(O)CCCOCCCCCCCN 34a_100011996573_200000718107 [0,2,0,0,0,0|1,0,1]=4 15920 B14R0.394 CC(O)CCCSCCCCCCC#N 62a_100009813337_200000718107 [0,2,0,0,0,0|1,0,1]=4 15921 B14R0.394 CC(O)CCCSCCCCCCC#N 62a_200000718107_100009813337 [0,2,0,0,0,0|1,0,1]=4 15922 B14R0.394 CC(O)CCCSCCCCCCCO 62a_100000760002_200000718107 [0,2,0,0,0,0|0,0,2]=4 15923 B14R0.394 CC(O)CCCSCCCCCCCO 62a_200000718107_100000760002 [0,2,0,0,0,0|0,0,2]=4 15924 B14R0.394 CC(O)CCNCCCCCCCCO 2230a_102515433106_100012276601 [0,2,0,0,0,0|0,0,2]=4 15925 B14R0.394 CC(O)CCNCCCCCCCCO 2230a_200000755665_100000033203 [0,2,0,0,0,0|0,0,2]=4 15926 B14R0.394 CC(O)CCNCCCCCCCCO 34a_102515433106_100012276601 [0,2,0,0,0,0|0,0,2]=4 15927 B14R0.394 CC(O)CCOCCCCCCCCBr 34a_100009813846_100012276601 [0,2,0,0,0,0|1,0,1]=4 15928 B14R0.394 CC(O)CCOCCCCCCCCBr 7a_100009813846_100012276601 [0,2,0,0,0,0|1,0,1]=4 15929 B14R0.394 CC(O)CCOCCCCCCCCCl 34a_100000033203_100012276601 [0,2,0,0,0,0|1,0,1]=4 15930 B14R0.394 CC(O)CCOCCCCCCCCCl 7a_100000033203_100012276601 [0,2,0,0,0,0|1,0,1]=4 15931 B14R0.394 CC(O)CCOCCCCCCCCN 34a_102515433106_100012276601 [0,2,0,0,0,0|1,0,1]=4 15932 B14R0.394 CC(O)CCSCCCCCCCCO 62a_100000033203_100012276601 [0,2,0,0,0,0|0,0,2]=4 15933 B14R0.394 CC(O)CCSCCCCCCCCO 62a_100012276601_100000033203 [0,2,0,0,0,0|0,0,2]=4 15934 B14R0.394 CC(O)CNCCCCCCCCCO 2230a_100000078944_100011218427 [0,2,0,0,0,0|0,0,2]=4 15935 B14R0.394 CC(O)CNCCCCCCCCCO 2230a_100000210904_100009813782 [0,2,0,0,0,0|0,0,2]=4 15936 B14R0.394 CC(O)CNCCCCCCCCCO 34a_100000078944_100011218427 [0,2,0,0,0,0|0,0,2]=4 15937 B14R0.394 CC(O)CNCCCCCCCCCO 34a_100000210904_100009813782 [0,2,0,0,0,0|0,0,2]=4 15938 B14R0.394 CC(O)COCCCCCCCCCBr 34a_100009813782_100011218427 [0,2,0,0,0,0|1,0,1]=4 15939 B14R0.394 CC(O)COCCCCCCCCCBr 7a_100009813782_100011218427 [0,2,0,0,0,0|1,0,1]=4 15940 B14R0.394 CC(O)COCCCCCCCCCCl 34a_100009868337_100011218427 [0,2,0,0,0,0|1,0,1]=4 15941 B14R0.394 CC(O)COCCCCCCCCCCl 7a_100009868337_100011218427 [0,2,0,0,0,0|1,0,1]=4 15942 B14R0.394 CC(O)COCCCCCCCCCN 34a_100000078944_100011218427 [0,2,0,0,0,0|1,0,1]=4 15943 B14R0.394 CC(O)CSCCCCCCCCCO 62a_100009813782_100011218427 [0,2,0,0,0,0|0,0,2]=4 15944 B14R0.394 CC(O)CSCCCCCCCCCO 62a_100011218427_100009813782 [0,2,0,0,0,0|0,0,2]=4 15945 B14R0.394 CC/C=C/CCCOCCCCC(=O)C 34a_100016287902_100009817362 [0,2,0,0,0,0|0,0,2]=4 15946 B14R0.394 CC/C=C/CCCOCCCCC(=O)C 7a_100016287902_100000735457 [0,2,0,0,0,0|0,0,2]=4 15947 B14R0.394 CC/C=C\CCCCCNCCC(=O)N 269862a_100000740010_100016288537 [0,2,0,0,0,0|0,0,2]=4 15948 B14R0.394 CC/C=C\CCCCCOCCC(=O)C 7a_100016268722_100000053229 [0,2,0,0,0,0|0,0,2]=4 15949 B14R0.394 CC/C=C\CCCCCOCCC(=O)N 34a_100016268722_100000731001 [0,2,0,0,0,0|0,0,2]=4 15950 B14R0.394 CC/C=C\CCCCCOCCC(=O)N 7a_100016268722_100000744528 [0,2,0,0,0,0|0,0,2]=4 15951 B14R0.394 CC/C=C\CCCCOCCCC(=O)C 34a_100016287862_100000685027 [0,2,0,0,0,0|0,0,2]=4 15952 B14R0.394 CC/C=C\CCCCOCCCC(=O)C 7a_100016287862_100011215641 [0,2,0,0,0,0|0,0,2]=4 15953 B14R0.394 CC/C=C\CCCCOCCCC(=O)N 34a_100016287862_100102525003 [0,2,0,0,0,0|0,0,2]=4 15954 B14R0.394 CC/C=C\CCCCOCCCC(=O)N 7a_100016287862_100102525003 [0,2,0,0,0,0|0,0,2]=4 15955 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 34a_100000123541_100015370543 [0,2,0,0,0,0|0,0,2]=4 15956 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 34a_100016288707_100009817443 [0,2,0,0,0,0|0,0,2]=4 15957 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 7a_100000123541_100015370543 [0,2,0,0,0,0|0,0,2]=4 15958 B14R0.394 CC/C=C\CCOCCCCCC(=O)N 7a_100016288707_100009817443 [0,2,0,0,0,0|0,0,2]=4 15959 B14R0.394 CC/C=C\CCOCCCCCC(=O)[O-] 7a_100102619762_100015370543 [0,2,0,0,0,0|0,0,2]=4 15960 B14R0.394 CC/C=C\CCSCCCCCC(=O)N 62a_100009817443_100015370543 [0,2,0,0,0,0|0,0,2]=4 15961 B14R0.394 CC/C=C\CCSCCCCCC(=O)N 62a_100015370543_100009817443 [0,2,0,0,0,0|0,0,2]=4 15962 B14R0.394 CC=CCCCOCCCCCC(=O)N 34a_100020645299_100009817443 [0,2,0,0,0,0|0,0,2]=4 15963 B14R0.394 CC=CCCCOCCCCCC(C)C 34a_100020645299_100000210682 [0,2,0,0,0,0|1,0,1]=4 15964 B14R0.394 CC=CCOCCCCCCCC(C)C 34a_200000210741_100000070051 [0,2,0,0,0,0|1,0,1]=4 15965 B14R0.394 CC=CCOCCCCCCCC(C)C 7a_200000210741_100000070051 [0,2,0,0,0,0|1,0,1]=4 15966 B14R0.394 CCC#CCCCCCCNCC(=O)N 2230a_100000711301_200000036426 [0,2,0,0,0,0|0,0,2]=4 15967 B14R0.394 CCC#CCCCCCCNCC(=O)O 269956a_100016091260_200000036426 [0,2,0,0,0,0|0,0,2]=4 15968 B14R0.394 CCC#CCCCCCCOCC(=O)C 34a_100000211253_200000036426 [0,2,0,0,0,0|0,0,2]=4 15969 B14R0.394 CCC#CCCCCCCSCC(=O)N 62a_100000747473_200000036426 [0,2,0,0,0,0|0,0,2]=4 15970 B14R0.394 CCC#CCCCCCCSCC(=O)N 62a_200000036426_100000747473 [0,2,0,0,0,0|0,0,2]=4 15971 B14R0.394 CCC#CCCCCCCSCC(=O)[O-] 62a_100020667443_200000036426 [0,2,0,0,0,0|0,0,2]=4 15972 B14R0.394 CCC#CCCCCCCSCC(=O)[O-] 62a_200000036426_100020667443 [0,2,0,0,0,0|0,0,2]=4 15973 B14R0.394 CCC#CCCOCCCCCC(=O)N 34a_100000036655_100009817443 [0,2,0,0,0,0|0,0,2]=4 15974 B14R0.394 CCC#CCCOCCCCCC(=O)N 7a_100000036655_100009817443 [0,2,0,0,0,0|0,0,2]=4 15975 B14R0.394 CCC/C=C/COCCCCCC(=O)N 34a_100016278788_100009817443 [0,2,0,0,0,0|0,0,2]=4 15976 B14R0.394 CCC/C=C/COCCCCCC(=O)N 7a_100016278788_100009817443 [0,2,0,0,0,0|0,0,2]=4 15977 B14R0.394 CCCC#CCCOCCCCC(=O)C 34a_100000042726_100009817362 [0,2,0,0,0,0|0,0,2]=4 15978 B14R0.394 CCCC#CCCOCCCCC(=O)C 7a_100000042726_100000735457 [0,2,0,0,0,0|0,0,2]=4 15979 B14R0.394 CCCC#CCOCCCCCC(=O)N 34a_100000034806_100009817443 [0,2,0,0,0,0|0,0,2]=4 15980 B14R0.394 CCCC#CCOCCCCCC(=O)N 7a_100000034806_100009817443 [0,2,0,0,0,0|0,0,2]=4 15981 B14R0.394 CCCC/C=C/CCCCOCC(=O)N 34a_200020645093_100000187820 [0,2,0,0,0,0|0,0,2]=4 15982 B14R0.394 CCCC/C=C/CCCCOCC(=O)N 7a_200020645093_100000187820 [0,2,0,0,0,0|0,0,2]=4 15983 B14R0.394 CCCC/C=C/CCCCOCC(=O)[O-] 34a_200020645093_100020667443 [0,2,0,0,0,0|0,0,2]=4 15984 B14R0.394 CCCC/C=C/COCCCCC(=O)C 34a_200016272032_100009817362 [0,2,0,0,0,0|0,0,2]=4 15985 B14R0.394 CCCC/C=C/COCCCCC(=O)C 7a_200016272032_100000735457 [0,2,0,0,0,0|0,0,2]=4 15986 B14R0.394 CCCC/C=C\CCOCCCC(=O)C 34a_200016286491_100000685027 [0,2,0,0,0,0|0,0,2]=4 15987 B14R0.394 CCCC/C=C\CCOCCCC(=O)C 7a_200016286491_100011215641 [0,2,0,0,0,0|0,0,2]=4 15988 B14R0.394 CCCC/C=C\CCOCCCC(=O)N 34a_200016286491_100102525003 [0,2,0,0,0,0|0,0,2]=4 15989 B14R0.394 CCCC/C=C\CCOCCCC(=O)N 7a_200016286491_100102525003 [0,2,0,0,0,0|0,0,2]=4 15990 B14R0.394 CCCCC#CCCCCCCC(=O)C 1458a_100000070787_200000043322 [0,2,0,0,0,0|0,0,1]=3 15991 B14R0.394 CCCCC#CCCCCOCC(=O)N 34a_200000066234_100000187820 [0,2,0,0,0,0|0,0,2]=4 15992 B14R0.394 CCCCC#CCCCCOCC(=O)N 7a_200000066234_100000187820 [0,2,0,0,0,0|0,0,2]=4 15993 B14R0.394 CCCCC#CCCCCOCC(=O)[O-] 34a_200000066234_100020667443 [0,2,0,0,0,0|0,0,2]=4 15994 B14R0.394 CCCCC#CCCCOCCC(=O)C 34a_100000759926_200000047210 [0,2,0,0,0,0|0,0,2]=4 15995 B14R0.394 CCCCC#CCCCOCCC(=O)C 7a_100000759926_200000047210 [0,2,0,0,0,0|0,0,2]=4 15996 B14R0.394 CCCCC#CCCCOCCC(=O)N 34a_100000757172_200000047210 [0,2,0,0,0,0|0,0,2]=4 15997 B14R0.394 CCCCC#CCCCOCCC(=O)N 7a_100000757172_200000047210 [0,2,0,0,0,0|0,0,2]=4 15998 B14R0.394 CCCCC#CCCCSCCC(=O)C 62a_100000053229_200000047210 [0,2,0,0,0,0|0,0,2]=4 15999 B14R0.394 CCCCC#CCCCSCCC(=O)C 62a_200000047210_100000053229 [0,2,0,0,0,0|0,0,2]=4 16000 B14R0.394 CCCCC#CCCCSCCC(=O)N 62a_100000744528_200000047210 [0,2,0,0,0,0|0,0,2]=4 16001 B14R0.394 CCCCC#CCCCSCCC(=O)N 62a_200000047210_100000744528 [0,2,0,0,0,0|0,0,2]=4 16002 B14R0.394 CCCCC#CCCOCCCC(=O)C 34a_100000037610_100000685027 [0,2,0,0,0,0|0,0,2]=4 16003 B14R0.394 CCCCC#CCCOCCCC(=O)C 7a_100000037610_100011215641 [0,2,0,0,0,0|0,0,2]=4 16004 B14R0.394 CCCCC#CCCOCCCC(=O)N 34a_100000037610_100102525003 [0,2,0,0,0,0|0,0,2]=4 16005 B14R0.394 CCCCC#CCCOCCCC(=O)N 7a_100000037610_100102525003 [0,2,0,0,0,0|0,0,2]=4 16006 B14R0.394 CCCCC#CCOCCCCC(=O)C 34a_200000034558_100009817362 [0,2,0,0,0,0|0,0,2]=4 16007 B14R0.394 CCCCC#CCOCCCCC(=O)C 7a_200000034558_100000735457 [0,2,0,0,0,0|0,0,2]=4 16008 B14R0.394 CCCCC/C=C/COCCCC(=O)C 34a_100016258190_100000685027 [0,2,0,0,0,0|0,0,2]=4 16009 B14R0.394 CCCCC/C=C/COCCCC(=O)C 7a_100016258190_100011215641 [0,2,0,0,0,0|0,0,2]=4 16010 B14R0.394 CCCCC/C=C/COCCCC(=O)N 34a_100016258190_100102525003 [0,2,0,0,0,0|0,0,2]=4 16011 B14R0.394 CCCCC/C=C/COCCCC(=O)N 7a_100016258190_100102525003 [0,2,0,0,0,0|0,0,2]=4 16012 B14R0.394 CCCCC/C=C\CCCOCC(=O)N 34a_100020655193_100000187820 [0,2,0,0,0,0|0,0,2]=4 16013 B14R0.394 CCCCC/C=C\CCCOCC(=O)N 7a_100020655193_100000187820 [0,2,0,0,0,0|0,0,2]=4 16014 B14R0.394 CCCCC/C=C\CCCOCC(=O)[O-] 34a_100020655193_100020667443 [0,2,0,0,0,0|0,0,2]=4 16015 B14R0.394 CCCCC/C=C\CCOCCC(=O)C 7a_100016277358_100000053229 [0,2,0,0,0,0|0,0,2]=4 16016 B14R0.394 CCCCC/C=C\CCOCCC(=O)N 34a_100016277358_100000731001 [0,2,0,0,0,0|0,0,2]=4 16017 B14R0.394 CCCCC/C=C\CCOCCC(=O)N 7a_100016277358_100000744528 [0,2,0,0,0,0|0,0,2]=4 16018 B14R0.394 CCCCCC#CCCOCCC(=O)C 7a_200000042877_100000053229 [0,2,0,0,0,0|0,0,2]=4 16019 B14R0.394 CCCCCC#CCCOCCC(=O)N 34a_200000042877_100000731001 [0,2,0,0,0,0|0,0,2]=4 16020 B14R0.394 CCCCCC#CCCOCCC(=O)N 7a_200000042877_100000744528 [0,2,0,0,0,0|0,0,2]=4 16021 B14R0.394 CCCCCC#CCNCCCC(=O)N 34a_100000739312_100009816472 [0,2,0,0,0,0|0,0,2]=4 16022 B14R0.394 CCCCCC#CCOCCCC(=O)C 34a_100000759063_100009816472 [0,2,0,0,0,0|0,0,2]=4 16023 B14R0.394 CCCCCC#CCOCCCC(=O)C 34a_200000033628_100000685027 [0,2,0,0,0,0|0,0,2]=4 16024 B14R0.394 CCCCCC#CCOCCCC(=O)C 7a_100000759063_100009816472 [0,2,0,0,0,0|0,0,2]=4 16025 B14R0.394 CCCCCC#CCOCCCC(=O)C 7a_200000033628_100011215641 [0,2,0,0,0,0|0,0,2]=4 16026 B14R0.394 CCCCCC#CCOCCCC(=O)N 34a_200000033628_100102525003 [0,2,0,0,0,0|0,0,2]=4 16027 B14R0.394 CCCCCC#CCOCCCC(=O)N 7a_200000033628_100102525003 [0,2,0,0,0,0|0,0,2]=4 16028 B14R0.394 CCCCCC#CCSCCCC(=O)C 62a_100009816472_100011215641 [0,2,0,0,0,0|0,0,2]=4 16029 B14R0.394 CCCCCC#CCSCCCC(=O)C 62a_100011215641_100009816472 [0,2,0,0,0,0|0,0,2]=4 16030 B14R0.394 CCCCCC#CCSCCCC(=O)N 62a_100009816472_100102525003 [0,2,0,0,0,0|0,0,2]=4 16031 B14R0.394 CCCCCC#CCSCCCC(=O)N 62a_100102525003_100009816472 [0,2,0,0,0,0|0,0,2]=4 16032 B14R0.394 CCCCCC/C=C/COCCC(=O)C 7a_200016276170_100000053229 [0,2,0,0,0,0|0,0,2]=4 16033 B14R0.394 CCCCCC/C=C/COCCC(=O)N 34a_200016276170_100000731001 [0,2,0,0,0,0|0,0,2]=4 16034 B14R0.394 CCCCCC/C=C/COCCC(=O)N 7a_200016276170_100000744528 [0,2,0,0,0,0|0,0,2]=4 16035 B14R0.394 CCCCCCC#CCCOCC(=O)N 34a_200000033163_100000187820 [0,2,0,0,0,0|0,0,2]=4 16036 B14R0.394 CCCCCCC#CCCOCC(=O)N 7a_200000033163_100000187820 [0,2,0,0,0,0|0,0,2]=4 16037 B14R0.394 CCCCCCC#CCCOCC(=O)[O-] 34a_200000033163_100020667443 [0,2,0,0,0,0|0,0,2]=4 16038 B14R0.394 CCCCCCC#CCOCCC(=O)C 7a_200000037284_100000053229 [0,2,0,0,0,0|0,0,2]=4 16039 B14R0.394 CCCCCCC#CCOCCC(=O)N 34a_200000037284_100000731001 [0,2,0,0,0,0|0,0,2]=4 16040 B14R0.394 CCCCCCC#CCOCCC(=O)N 7a_200000037284_100000744528 [0,2,0,0,0,0|0,0,2]=4 16041 B14R0.394 CCCCCCCC#CCOCC(=O)N 34a_200000061759_100000187820 [0,2,0,0,0,0|0,0,2]=4 16042 B14R0.394 CCCCCCCC#CCOCC(=O)N 7a_200000061759_100000187820 [0,2,0,0,0,0|0,0,2]=4 16043 B14R0.394 CCCCCCCC#CCOCC(=O)[O-] 34a_200000061759_100020667443 [0,2,0,0,0,0|0,0,2]=4 16044 B14R0.394 CCCCCCCCCC=NNC(=O)C 4a_100000189765_100000210895 [0,2,0,0,0,0|1,0,1]=4 16045 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100000070787_100000759014 [0,2,0,0,0,0|0,0,0]=2 16046 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100011215791_200000210301 [0,2,0,0,0,0|0,0,0]=2 16047 B14R0.394 CCCCCCCCCCCCC(=O)[13CH3] 1458a_100011215791_200025704644 [0,2,0,0,0,0|0,0,0]=2 16048 B14R0.394 CCCCCCCCCCCCN(C)C 2230a_100000227908_200000210301 [0,2,0,0,0,0|1,0,1]=4 16049 B14R0.394 CCCCCCCCCCCCN(C)C 2230a_100102631434_100011215052 [0,2,0,0,0,0|1,0,1]=4 16050 B14R0.394 CCCCCCCCCCCCN(C)C 269982a_100000227908_200000210301 [0,2,0,0,0,0|1,0,1]=4 16051 B14R0.394 CCCCCCCCCCCCN(C)C 269982a_100102631434_100000759014 [0,2,0,0,0,0|1,0,1]=4 16052 B14R0.394 CCCCCCCCCCCCN(C)C 270004a_100102631434_100011218549 [0,2,0,0,0,0|1,0,1]=4 16053 B14R0.394 CCCCCCCCCCCCN(C)[13CH3] 2230a_100000227908_200025704644 [0,2,0,0,0,0|1,0,1]=4 16054 B14R0.394 CCCCCCCCCCCCN(C)[13CH3] 269982a_100000227908_200025704644 [0,2,0,0,0,0|1,0,1]=4 16055 B14R0.394 CCCCCCCCCCCNC(=O)C 11a_200011215754_100015343762 [0,2,0,0,0,0|0,0,0]=2 16056 B14R0.394 CCCCCCCCCCCNC(=O)C 1626a_200011215754_100015343762 [0,2,0,0,0,0|0,0,0]=2 16057 B14R0.394 CCCCCCCCCCCNC(=O)C 240690a_200011215754_100015343762 [0,2,0,0,0,0|0,0,0]=2 16058 B14R0.394 CCCCCCCCCCCNC(=O)C 527a_200011215754_100103153847 [0,2,0,0,0,0|0,0,0]=2 16059 B14R0.394 CCCCCCCCCCCNC(C)C 2230a_100138425928_100011215454 [0,2,0,0,0,0|1,0,1]=4 16060 B14R0.394 CCCCCCCCCCCNC(C)C 2230a_200011215754_100000210206 [0,2,0,0,0,0|1,0,1]=4 16061 B14R0.394 CCCCCCCCCCCNC(C)C 34a_100138425928_100011215454 [0,2,0,0,0,0|1,0,1]=4 16062 B14R0.394 CCCCCCCCCCCNC(C)C 34a_200011215754_100000210206 [0,2,0,0,0,0|1,0,1]=4 16063 B14R0.394 CCCCCCCCCCCOC(C)C 34a_100000210809_100000210206 [0,2,0,0,0,0|1,0,1]=4 16064 B14R0.394 CCCCCCCCCCCOC(C)C 34a_100000212225_100011215454 [0,2,0,0,0,0|1,0,1]=4 16065 B14R0.394 CCCCCCCCCCCOC(C)C 7a_100000210809_100000210206 [0,2,0,0,0,0|1,0,1]=4 16066 B14R0.394 CCCCCCCCCCCSC(C)C 62a_100000210206_100011215454 [0,2,0,0,0,0|1,0,1]=4 16067 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000684558_100000747473 [0,2,0,0,0,0|0,0,0]=2 16068 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210320 [0,2,0,0,0,0|0,0,0]=2 16069 B14R0.394 CCCCCCCCCCNCC(=O)N 34a_100000684558_100000187820 [0,2,0,0,0,0|0,0,0]=2 16070 B14R0.394 CCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210320 [0,2,0,0,0,0|0,0,0]=2 16071 B14R0.394 CCCCCCCCCCNCC(=O)[O-] 34a_100000684558_100020667443 [0,2,0,0,0,0|0,0,0]=2 16072 B14R0.394 CCCCCCCCCCNCC(C)C 2230a_100000210953_100000210320 [0,2,0,0,0,0|1,0,1]=4 16073 B14R0.394 CCCCCCCCCCNCC(C)C 2230a_100000684558_100000210760 [0,2,0,0,0,0|1,0,1]=4 16074 B14R0.394 CCCCCCCCCCNCC(C)C 270004a_100000684558_100000210432 [0,2,0,0,0,0|1,0,1]=4 16075 B14R0.394 CCCCCCCCCCNCC(C)C 34a_100000210953_100000210320 [0,2,0,0,0,0|1,0,1]=4 16076 B14R0.394 CCCCCCCCCCNCC(C)C 34a_100000684558_100000210624 [0,2,0,0,0,0|1,0,1]=4 16077 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000210904_100000210320 [0,2,0,0,0,0|0,0,2]=4 16078 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000684558_100011218427 [0,2,0,0,0,0|0,0,2]=4 16079 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000210904_100000210320 [0,2,0,0,0,0|0,0,2]=4 16080 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000684558_100011218427 [0,2,0,0,0,0|0,0,2]=4 16081 B14R0.394 CCCCCCCCCCNCC(F)F 2230a_100000684558_100011934356 [0,2,0,0,0,0|1,0,1]=4 16082 B14R0.394 CCCCCCCCCCNCC(F)F 34a_100000684558_100011934356 [0,2,0,0,0,0|1,0,1]=4 16083 B14R0.394 CCCCCCCCCCNCC(F)F 34a_100000765723_100000210320 [0,2,0,0,0,0|1,0,1]=4 16084 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 2230a_100000684558_100009817552 [0,2,0,0,0,0|0,0,2]=4 16085 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 34a_100000684558_100009817552 [0,2,0,0,0,0|0,0,2]=4 16086 B14R0.394 CCCCCCCCCCNC[N+](=O)[O-] 34a_100000684558_100000761209 [0,2,0,0,0,0|1,0,0]=3 16087 B14R0.394 CCCCCCCCCCOCC(=O)C 34a_100000211253_100000210320 [0,2,0,0,0,0|0,0,0]=2 16088 B14R0.394 CCCCCCCCCCOCC(=O)N 34a_100000210711_100000187820 [0,2,0,0,0,0|0,0,0]=2 16089 B14R0.394 CCCCCCCCCCOCC(=O)N 7a_100000210711_100000187820 [0,2,0,0,0,0|0,0,0]=2 16090 B14R0.394 CCCCCCCCCCOCC(=O)[O-] 34a_100000210711_100020667443 [0,2,0,0,0,0|0,0,0]=2 16091 B14R0.394 CCCCCCCCCCOCC(C)Br 34a_100012180447_100000210320 [0,2,0,0,0,0|1,0,1]=4 16092 B14R0.394 CCCCCCCCCCOCC(C)C 34a_100000210257_100000210320 [0,2,0,0,0,0|1,0,1]=4 16093 B14R0.394 CCCCCCCCCCOCC(C)C 34a_100000210711_100000210624 [0,2,0,0,0,0|1,0,1]=4 16094 B14R0.394 CCCCCCCCCCOCC(C)C 7a_100000210711_100000210760 [0,2,0,0,0,0|1,0,1]=4 16095 B14R0.394 CCCCCCCCCCOCC(C)F 34a_100015925927_100000210320 [0,2,0,0,0,0|1,0,1]=4 16096 B14R0.394 CCCCCCCCCCOCC(C)O 34a_100000210711_100011218427 [0,2,0,0,0,0|0,0,2]=4 16097 B14R0.394 CCCCCCCCCCOCC(C)O 7a_100000210711_100011218427 [0,2,0,0,0,0|0,0,2]=4 16098 B14R0.394 CCCCCCCCCCOCC(F)F 34a_100000210711_100011934356 [0,2,0,0,0,0|1,0,1]=4 16099 B14R0.394 CCCCCCCCCCOCC(F)F 34a_100000743014_100000210320 [0,2,0,0,0,0|1,0,1]=4 16100 B14R0.394 CCCCCCCCCCOCC(F)F 7a_100000210711_100011934356 [0,2,0,0,0,0|1,0,1]=4 16101 B14R0.394 CCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210320 [0,2,0,0,0,0|1,0,1]=4 16102 B14R0.394 CCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210320 [0,2,0,0,0,0|1,0,1]=4 16103 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 34a_100000210711_100009817552 [0,2,0,0,0,0|0,0,2]=4 16104 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 7a_100000210711_100009817552 [0,2,0,0,0,0|0,0,2]=4 16105 B14R0.394 CCCCCCCCCCOC[N+](=O)[O-] 34a_100000210711_100000761209 [0,2,0,0,0,0|1,0,0]=3 16106 B14R0.394 CCCCCCCCCCSCC(=O)N 62a_100000747473_100000210320 [0,2,0,0,0,0|0,0,0]=2 16107 B14R0.394 CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210320 [0,2,0,0,0,0|0,0,0]=2 16108 B14R0.394 CCCCCCCCCCSCC(C)C 62a_100000210624_100000210320 [0,2,0,0,0,0|1,0,1]=4 16109 B14R0.394 CCCCCCCCCCSCC(C)O 62a_100011218427_100000210320 [0,2,0,0,0,0|0,0,2]=4 16110 B14R0.394 CCCCCCCCCCSCC(F)F 62a_100011934356_100000210320 [0,2,0,0,0,0|1,0,1]=4 16111 B14R0.394 CCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210320 [0,2,0,0,0,0|0,0,2]=4 16112 B14R0.394 CCCCCCCCCNCC=C(C)C 2230a_100000212291_100000761012 [0,2,0,0,0,0|1,0,1]=4 16113 B14R0.394 CCCCCCCCCNCC=C(C)C 34a_100000212291_100000761012 [0,2,0,0,0,0|1,0,1]=4 16114 B14R0.394 CCCCCCCCCNCC=C(C)C 34a_100000718196_100011214924 [0,2,0,0,0,0|1,0,1]=4 16115 B14R0.394 CCCCCCCCCNCCC(=O)N 2230a_100000212291_100000744528 [0,2,0,0,0,0|0,0,0]=2 16116 B14R0.394 CCCCCCCCCNCCC(=O)N 34a_100000212291_100000731001 [0,2,0,0,0,0|0,0,0]=2 16117 B14R0.394 CCCCCCCCCNCCC(C)C 2230a_100000212291_100000210312 [0,2,0,0,0,0|1,0,1]=4 16118 B14R0.394 CCCCCCCCCNCCC(C)C 269862a_100000212291_100000185833 [0,2,0,0,0,0|1,0,1]=4 16119 B14R0.394 CCCCCCCCCNCCC(C)C 34a_100000212291_100000210312 [0,2,0,0,0,0|1,0,1]=4 16120 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_100000212291_100012276601 [0,2,0,0,0,0|0,0,2]=4 16121 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_200000755665_100011214924 [0,2,0,0,0,0|0,0,2]=4 16122 B14R0.394 CCCCCCCCCNCCC(C)O 34a_100000212291_100012276601 [0,2,0,0,0,0|0,0,2]=4 16123 B14R0.394 CCCCCCCCCNCOC(=O)C 34a_100000212291_100009813279 [0,2,0,0,0,0|1,0,0]=3 16124 B14R0.394 CCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210670 [0,2,0,0,0,0|1,0,0]=3 16125 B14R0.394 CCCCCCCCCOCC=C(C)C 34a_100000210712_100000761012 [0,2,0,0,0,0|1,0,1]=4 16126 B14R0.394 CCCCCCCCCOCC=C(C)C 34a_100000753907_100011214924 [0,2,0,0,0,0|1,0,1]=4 16127 B14R0.394 CCCCCCCCCOCC=C(C)C 7a_100000210712_100000761012 [0,2,0,0,0,0|1,0,1]=4 16128 B14R0.394 CCCCCCCCCOCCC(=O)C 34a_100000759926_100011214924 [0,2,0,0,0,0|0,0,0]=2 16129 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000210712_100000053229 [0,2,0,0,0,0|0,0,0]=2 16130 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000759926_100000210328 [0,2,0,0,0,0|0,0,0]=2 16131 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000210712_100000731001 [0,2,0,0,0,0|0,0,0]=2 16132 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000757172_100011214924 [0,2,0,0,0,0|0,0,0]=2 16133 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000210712_100000744528 [0,2,0,0,0,0|0,0,0]=2 16134 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000757172_100000210328 [0,2,0,0,0,0|0,0,0]=2 16135 B14R0.394 CCCCCCCCCOCCC(C)Br 34a_100009893172_100011214924 [0,2,0,0,0,0|1,0,1]=4 16136 B14R0.394 CCCCCCCCCOCCC(C)C 34a_100000210254_100011214924 [0,2,0,0,0,0|1,0,1]=4 16137 B14R0.394 CCCCCCCCCOCCC(C)C 34a_100000210712_100000210312 [0,2,0,0,0,0|1,0,1]=4 16138 B14R0.394 CCCCCCCCCOCCC(C)C 7a_100000210254_100000210328 [0,2,0,0,0,0|1,0,1]=4 16139 B14R0.394 CCCCCCCCCOCCC(C)C 7a_100000210712_100000210626 [0,2,0,0,0,0|1,0,1]=4 16140 B14R0.394 CCCCCCCCCOCCC(C)O 34a_100000210712_100012276601 [0,2,0,0,0,0|0,0,2]=4 16141 B14R0.394 CCCCCCCCCOCCC(C)O 7a_100000210712_100012276601 [0,2,0,0,0,0|0,0,2]=4 16142 B14R0.394 CCCCCCCCCOCCC(F)F 34a_100103093639_100011214924 [0,2,0,0,0,0|1,0,1]=4 16143 B14R0.394 CCCCCCCCCOCCN(C)C 7a_100000210712_100000755713 [0,2,0,0,0,0|2,0,0]=4 16144 B14R0.394 CCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100011214924 [0,2,0,0,0,0|1,0,1]=4 16145 B14R0.394 CCCCCCCCCOCOC(=O)C 34a_100000210712_100009813279 [0,2,0,0,0,0|1,0,0]=3 16146 B14R0.394 CCCCCCCCCSCC=C(C)C 62a_100000761012_100000210670 [0,2,0,0,0,0|1,0,1]=4 16147 B14R0.394 CCCCCCCCCSCCC(=O)C 62a_100000053229_100000210670 [0,2,0,0,0,0|0,0,0]=2 16148 B14R0.394 CCCCCCCCCSCCC(=O)N 62a_100000744528_100000210670 [0,2,0,0,0,0|0,0,0]=2 16149 B14R0.394 CCCCCCCCCSCCC(C)C 62a_100000210312_100000210670 [0,2,0,0,0,0|1,0,1]=4 16150 B14R0.394 CCCCCCCCCSCCC(C)O 62a_100012276601_100000210670 [0,2,0,0,0,0|0,0,2]=4 16151 B14R0.394 CCCCCCCCCSCOC(=O)C 62a_100000076356_100000210670 [0,2,0,0,0,0|1,0,0]=3 16152 B14R0.394 CCCCCCCCNCCC=C(C)C 2230a_100000229939_100011217483 [0,2,0,0,0,0|1,0,1]=4 16153 B14R0.394 CCCCCCCCNCCC=C(C)C 34a_100000229939_100011217483 [0,2,0,0,0,0|1,0,1]=4 16154 B14R0.394 CCCCCCCCNCCC=C(F)F 2230a_100000229939_200009816681 [0,2,0,0,0,0|1,0,1]=4 16155 B14R0.394 CCCCCCCCNCCC=C(F)F 34a_100000229939_200009816681 [0,2,0,0,0,0|1,0,1]=4 16156 B14R0.394 CCCCCCCCNCCCC(=O)C 34a_100000229939_100000685027 [0,2,0,0,0,0|0,0,0]=2 16157 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000229939_100102525003 [0,2,0,0,0,0|0,0,0]=2 16158 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000739312_100000210759 [0,2,0,0,0,0|0,0,0]=2 16159 B14R0.394 CCCCCCCCNCCCC(C)C 2230a_100000229939_100011214892 [0,2,0,0,0,0|1,0,1]=4 16160 B14R0.394 CCCCCCCCNCCCC(C)C 2230a_200000737386_100000210759 [0,2,0,0,0,0|1,0,1]=4 16161 B14R0.394 CCCCCCCCNCCCC(C)C 34a_100000229939_100011214892 [0,2,0,0,0,0|1,0,1]=4 16162 B14R0.394 CCCCCCCCNCCCC(C)C 34a_200000737386_100000210759 [0,2,0,0,0,0|1,0,1]=4 16163 B14R0.394 CCCCCCCCNCCCC(C)O 2230a_100000229939_200000718107 [0,2,0,0,0,0|0,0,2]=4 16164 B14R0.394 CCCCCCCCNCCCC(C)O 34a_100000229939_200000718107 [0,2,0,0,0,0|0,0,2]=4 16165 B14R0.394 CCCCCCCCNCCCS(=O)C 2230a_200000753449_100000210759 [0,2,0,0,0,0|1,0,0]=3 16166 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210759 [0,2,0,0,0,0|1,0,0]=3 16167 B14R0.394 CCCCCCCCNCCNC(=O)C 2230a_100000229939_100000189650 [0,2,0,0,0,0|1,0,0]=3 16168 B14R0.394 CCCCCCCCNCCNC(=O)N 2230a_100000229939_200000034859 [0,2,0,0,0,0|1,0,0]=3 16169 B14R0.394 CCCCCCCCNCCNC(=O)N 34a_100020590234_100000210759 [0,2,0,0,0,0|1,0,0]=3 16170 B14R0.394 CCCCCCCCNCCOC(=O)C 34a_100000229939_100009814007 [0,2,0,0,0,0|1,0,0]=3 16171 B14R0.394 CCCCCCCCNCCOC(=O)N 34a_100000229939_200011214921 [0,2,0,0,0,0|1,0,0]=3 16172 B14R0.394 CCCCCCCCOCCC=C(C)C 34a_100000210232_100011217483 [0,2,0,0,0,0|1,0,1]=4 16173 B14R0.394 CCCCCCCCOCCC=C(C)C 7a_100000210232_100011217483 [0,2,0,0,0,0|1,0,1]=4 16174 B14R0.394 CCCCCCCCOCCC=C(F)F 34a_100000210232_200009816681 [0,2,0,0,0,0|1,0,1]=4 16175 B14R0.394 CCCCCCCCOCCC=C(F)F 7a_100000210232_200009816681 [0,2,0,0,0,0|1,0,1]=4 16176 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000210232_100000685027 [0,2,0,0,0,0|0,0,0]=2 16177 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000759063_100000210759 [0,2,0,0,0,0|0,0,0]=2 16178 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000210232_100011215641 [0,2,0,0,0,0|0,0,0]=2 16179 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000759063_100000210759 [0,2,0,0,0,0|0,0,0]=2 16180 B14R0.394 CCCCCCCCOCCCC(=O)N 34a_100000210232_100102525003 [0,2,0,0,0,0|0,0,0]=2 16181 B14R0.394 CCCCCCCCOCCCC(=O)N 7a_100000210232_100102525003 [0,2,0,0,0,0|0,0,0]=2 16182 B14R0.394 CCCCCCCCOCCCC(C)C 34a_100000210232_100011214892 [0,2,0,0,0,0|1,0,1]=4 16183 B14R0.394 CCCCCCCCOCCCC(C)C 34a_100000210774_100000210759 [0,2,0,0,0,0|1,0,1]=4 16184 B14R0.394 CCCCCCCCOCCCC(C)C 7a_100000210232_100011214892 [0,2,0,0,0,0|1,0,1]=4 16185 B14R0.394 CCCCCCCCOCCCC(C)C 7a_100000210774_100000210759 [0,2,0,0,0,0|1,0,1]=4 16186 B14R0.394 CCCCCCCCOCCCC(C)O 34a_100000210232_200000718107 [0,2,0,0,0,0|0,0,2]=4 16187 B14R0.394 CCCCCCCCOCCCC(C)O 7a_100000210232_200000718107 [0,2,0,0,0,0|0,0,2]=4 16188 B14R0.394 CCCCCCCCOCCCN(C)C 7a_100000210232_100000757444 [0,2,0,0,0,0|2,0,0]=4 16189 B14R0.394 CCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210759 [0,2,0,0,0,0|1,0,0]=3 16190 B14R0.394 CCCCCCCCOCCNC(=O)C 34a_100000158858_100000210759 [0,2,0,0,0,0|1,0,0]=3 16191 B14R0.394 CCCCCCCCOCCNC(=O)C 7a_100000210232_100000189650 [0,2,0,0,0,0|1,0,0]=3 16192 B14R0.394 CCCCCCCCOCCNC(=O)N 34a_100000181757_100000210759 [0,2,0,0,0,0|1,0,0]=3 16193 B14R0.394 CCCCCCCCOCCNC(=O)N 7a_100000210232_200000034859 [0,2,0,0,0,0|1,0,0]=3 16194 B14R0.394 CCCCCCCCOCCOC(=O)C 34a_100000210232_100009814007 [0,2,0,0,0,0|1,0,0]=3 16195 B14R0.394 CCCCCCCCOCCOC(=O)C 7a_100000210232_100009814007 [0,2,0,0,0,0|1,0,0]=3 16196 B14R0.394 CCCCCCCCOCCOC(=O)N 34a_100000210232_200011214921 [0,2,0,0,0,0|1,0,0]=3 16197 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000210232_200011214921 [0,2,0,0,0,0|1,0,0]=3 16198 B14R0.394 CCCCCCCCOCCOC(=O)N 7a_100000766696_100000210759 [0,2,0,0,0,0|1,0,0]=3 16199 B14R0.394 CCCCCCCCSCCC=C(C)C 62a_100000210759_100011217483 [0,2,0,0,0,0|1,0,1]=4 16200 B14R0.394 CCCCCCCCSCCC=C(C)C 62a_100011217483_100000210317 [0,2,0,0,0,0|1,0,1]=4 16201 B14R0.394 CCCCCCCCSCCC=C(F)F 62a_100000210759_200009816681 [0,2,0,0,0,0|1,0,1]=4 16202 B14R0.394 CCCCCCCCSCCC=C(F)F 62a_200009816681_100000210317 [0,2,0,0,0,0|1,0,1]=4 16203 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100000210759_100011215641 [0,2,0,0,0,0|0,0,0]=2 16204 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100011215641_100000210317 [0,2,0,0,0,0|0,0,0]=2 16205 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100000210759_100102525003 [0,2,0,0,0,0|0,0,0]=2 16206 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100102525003_100000210317 [0,2,0,0,0,0|0,0,0]=2 16207 B14R0.394 CCCCCCCCSCCCC(C)C 62a_100000210759_100011214892 [0,2,0,0,0,0|1,0,1]=4 16208 B14R0.394 CCCCCCCCSCCCC(C)C 62a_100011214892_100000210317 [0,2,0,0,0,0|1,0,1]=4 16209 B14R0.394 CCCCCCCCSCCCC(C)O 62a_100000210759_200000718107 [0,2,0,0,0,0|0,0,2]=4 16210 B14R0.394 CCCCCCCCSCCCC(C)O 62a_200000718107_100000210317 [0,2,0,0,0,0|0,0,2]=4 16211 B14R0.394 CCCCCCCCSCCCN(C)C 62a_100000210759_100000757444 [0,2,0,0,0,0|2,0,0]=4 16212 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000189650_100000210317 [0,2,0,0,0,0|1,0,0]=3 16213 B14R0.394 CCCCCCCCSCCNC(=O)C 62a_100000210759_100000189650 [0,2,0,0,0,0|1,0,0]=3 16214 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_100000210759_200000034859 [0,2,0,0,0,0|1,0,0]=3 16215 B14R0.394 CCCCCCCCSCCNC(=O)N 62a_200000034859_100000210317 [0,2,0,0,0,0|1,0,0]=3 16216 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100000210759_100009814007 [0,2,0,0,0,0|1,0,0]=3 16217 B14R0.394 CCCCCCCCSCCOC(=O)C 62a_100009814007_100000210317 [0,2,0,0,0,0|1,0,0]=3 16218 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_100000210759_200011214921 [0,2,0,0,0,0|1,0,0]=3 16219 B14R0.394 CCCCCCCCSCCOC(=O)N 62a_200011214921_100000210317 [0,2,0,0,0,0|1,0,0]=3 16220 B14R0.394 CCCCCCCNCCCCB(O)O 2230a_100000229938_200009817182 [0,2,0,0,0,0|1,0,1]=4 16221 B14R0.394 CCCCCCCNCCCCC(=O)N 34a_100000696515_100000210614 [0,2,0,0,0,0|0,0,0]=2 16222 B14R0.394 CCCCCCCNCCCCC(C)C 2230a_100000229938_100011216152 [0,2,0,0,0,0|1,0,1]=4 16223 B14R0.394 CCCCCCCNCCCNC(=O)C 34a_100000736810_100000210614 [0,2,0,0,0,0|1,0,0]=3 16224 B14R0.394 CCCCCCCNCCCOC(=S)C 2230a_100000229938_200135323944 [0,2,0,0,0,0|1,1,0]=4 16225 B14R0.394 CCCCCCCNCCCSC(=O)C 2230a_100000229938_100000038929 [0,2,0,0,0,0|1,0,0]=3 16226 B14R0.394 CCCCCCCNCCOCC(=O)N 2230a_100000229938_100000076697 [0,2,0,0,0,0|1,0,0]=3 16227 B14R0.394 CCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210614 [0,2,0,0,0,0|1,0,0]=3 16228 B14R0.394 CCCCCCCOCCCCB(O)O 34a_100000210272_200009817182 [0,2,0,0,0,0|1,0,1]=4 16229 B14R0.394 CCCCCCCOCCCCB(O)O 7a_100000210272_200009817182 [0,2,0,0,0,0|1,0,1]=4 16230 B14R0.394 CCCCCCCOCCCCC(=O)C 34a_100000210272_100009817362 [0,2,0,0,0,0|0,0,0]=2 16231 B14R0.394 CCCCCCCOCCCCC(=O)C 7a_100000210272_100000735457 [0,2,0,0,0,0|0,0,0]=2 16232 B14R0.394 CCCCCCCOCCCCC(=O)N 34a_100012022536_100000210614 [0,2,0,0,0,0|0,0,0]=2 16233 B14R0.394 CCCCCCCOCCCCC(=O)N 7a_100012022536_100000210614 [0,2,0,0,0,0|0,0,0]=2 16234 B14R0.394 CCCCCCCOCCCCC(C)C 34a_100000210272_100011216152 [0,2,0,0,0,0|1,0,1]=4 16235 B14R0.394 CCCCCCCOCCCCC(C)C 34a_100011214890_100000210614 [0,2,0,0,0,0|1,0,1]=4 16236 B14R0.394 CCCCCCCOCCCCC(C)C 7a_100000210272_100011216152 [0,2,0,0,0,0|1,0,1]=4 16237 B14R0.394 CCCCCCCOCCCCC(C)C 7a_100011214890_100000210614 [0,2,0,0,0,0|1,0,1]=4 16238 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210614 [0,2,0,0,0,0|1,0,0]=3 16239 B14R0.394 CCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210614 [0,2,0,0,0,0|1,0,0]=3 16240 B14R0.394 CCCCCCCOCCCNC(=O)C 34a_100000752032_100000210614 [0,2,0,0,0,0|1,0,0]=3 16241 B14R0.394 CCCCCCCOCCCOC(=O)C 34a_100000210272_100000042594 [0,2,0,0,0,0|1,0,0]=3 16242 B14R0.394 CCCCCCCOCCCOC(=O)C 7a_100000210272_100000042594 [0,2,0,0,0,0|1,0,0]=3 16243 B14R0.394 CCCCCCCOCCCOC(=S)C 34a_100000210272_200135323944 [0,2,0,0,0,0|1,1,0]=4 16244 B14R0.394 CCCCCCCOCCCOC(=S)C 7a_100000210272_200135323944 [0,2,0,0,0,0|1,1,0]=4 16245 B14R0.394 CCCCCCCOCCCSC(=O)C 34a_100000210272_100000038929 [0,2,0,0,0,0|1,0,0]=3 16246 B14R0.394 CCCCCCCOCCCSC(=O)C 7a_100000210272_100000038929 [0,2,0,0,0,0|1,0,0]=3 16247 B14R0.394 CCCCCCCOCCOCC(=O)N 34a_100000210272_100000076697 [0,2,0,0,0,0|1,0,0]=3 16248 B14R0.394 CCCCCCCOCCOCC(=O)N 7a_100000210272_100000076697 [0,2,0,0,0,0|1,0,0]=3 16249 B14R0.394 CCCCCCCSCCCCB(O)O 62a_100000210614_200009817182 [0,2,0,0,0,0|1,0,1]=4 16250 B14R0.394 CCCCCCCSCCCCB(O)O 62a_200009817182_100000210316 [0,2,0,0,0,0|1,0,1]=4 16251 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000210614_100000735457 [0,2,0,0,0,0|0,0,0]=2 16252 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000735457_100000210316 [0,2,0,0,0,0|0,0,0]=2 16253 B14R0.394 CCCCCCCSCCCCC(C)C 62a_100000210614_100011216152 [0,2,0,0,0,0|1,0,1]=4 16254 B14R0.394 CCCCCCCSCCCCC(C)C 62a_100011216152_100000210316 [0,2,0,0,0,0|1,0,1]=4 16255 B14R0.394 CCCCCCCSCCCCN(C)C 62a_100000210614_100000690147 [0,2,0,0,0,0|2,0,0]=4 16256 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000042594_100000210316 [0,2,0,0,0,0|1,0,0]=3 16257 B14R0.394 CCCCCCCSCCCOC(=O)C 62a_100000210614_100000042594 [0,2,0,0,0,0|1,0,0]=3 16258 B14R0.394 CCCCCCCSCCCOC(=S)C 62a_100000210614_200135323944 [0,2,0,0,0,0|1,1,0]=4 16259 B14R0.394 CCCCCCCSCCCOC(=S)C 62a_200135323944_100000210316 [0,2,0,0,0,0|1,1,0]=4 16260 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000038929_100000210316 [0,2,0,0,0,0|1,0,0]=3 16261 B14R0.394 CCCCCCCSCCCSC(=O)C 62a_100000210614_100000038929 [0,2,0,0,0,0|1,0,0]=3 16262 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000076697_100000210316 [0,2,0,0,0,0|1,0,0]=3 16263 B14R0.394 CCCCCCCSCCOCC(=O)N 62a_100000210614_100000076697 [0,2,0,0,0,0|1,0,0]=3 16264 B14R0.394 CCCCCCNCCCCCB(O)O 2230a_100000210581_200009817188 [0,2,0,0,0,0|1,0,1]=4 16265 B14R0.394 CCCCCCNCCCCCC(=O)N 2230a_100000210581_100009817443 [0,2,0,0,0,0|0,0,0]=2 16266 B14R0.394 CCCCCCNCCCCCC(C)C 2230a_100000210581_100000210682 [0,2,0,0,0,0|1,0,1]=4 16267 B14R0.394 CCCCCCNCCCCCC(C)C 2230a_100011290863_100000210314 [0,2,0,0,0,0|1,0,1]=4 16268 B14R0.394 CCCCCCNCCCCCC(C)C 34a_100011290863_100000210314 [0,2,0,0,0,0|1,0,1]=4 16269 B14R0.394 CCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210314 [0,2,0,0,0,0|1,0,0]=3 16270 B14R0.394 CCCCCCNCCCCNC(=O)C 34a_200011368371_100000210314 [0,2,0,0,0,0|1,0,0]=3 16271 B14R0.394 CCCCCCNCCCCSC(=O)C 2230a_100000210581_200010402107 [0,2,0,0,0,0|1,0,0]=3 16272 B14R0.394 CCCCCCOCCCCCB(O)O 34a_100000210259_200009817188 [0,2,0,0,0,0|1,0,1]=4 16273 B14R0.394 CCCCCCOCCCCCB(O)O 7a_100000210259_200009817188 [0,2,0,0,0,0|1,0,1]=4 16274 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000123541_100000210314 [0,2,0,0,0,0|0,0,0]=2 16275 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000210259_100009817443 [0,2,0,0,0,0|0,0,0]=2 16276 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000123541_100000210314 [0,2,0,0,0,0|0,0,0]=2 16277 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000210259_100009817443 [0,2,0,0,0,0|0,0,0]=2 16278 B14R0.394 CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210314 [0,2,0,0,0,0|0,0,0]=2 16279 B14R0.394 CCCCCCOCCCCCC(C)C 34a_100000210259_100000210682 [0,2,0,0,0,0|1,0,1]=4 16280 B14R0.394 CCCCCCOCCCCCC(C)C 34a_100011995859_100000210314 [0,2,0,0,0,0|1,0,1]=4 16281 B14R0.394 CCCCCCOCCCCCC(C)C 7a_100000210259_100000210682 [0,2,0,0,0,0|1,0,1]=4 16282 B14R0.394 CCCCCCOCCCCCC(C)C 7a_100011995859_100000210314 [0,2,0,0,0,0|1,0,1]=4 16283 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000073216_100000210314 [0,2,0,0,0,0|1,0,0]=3 16284 B14R0.394 CCCCCCOCCCCOC(=O)C 34a_100000210259_100000033659 [0,2,0,0,0,0|1,0,0]=3 16285 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000073216_100000210314 [0,2,0,0,0,0|1,0,0]=3 16286 B14R0.394 CCCCCCOCCCCOC(=O)C 7a_100000210259_100000033659 [0,2,0,0,0,0|1,0,0]=3 16287 B14R0.394 CCCCCCOCCCCO[N+](=O)[O-] 34a_100000210259_100015694321 [0,2,0,0,0,0|2,0,0]=4 16288 B14R0.394 CCCCCCOCCCCO[N+](=O)[O-] 7a_100000210259_100015694321 [0,2,0,0,0,0|2,0,0]=4 16289 B14R0.394 CCCCCCOCCCCSC(=O)C 34a_100000210259_200010402107 [0,2,0,0,0,0|1,0,0]=3 16290 B14R0.394 CCCCCCOCCCCSC(=O)C 7a_100000210259_200010402107 [0,2,0,0,0,0|1,0,0]=3 16291 B14R0.394 CCCCCCOCCOCCC(=O)C 7a_100000691444_100000053229 [0,2,0,0,0,0|1,0,0]=3 16292 B14R0.394 CCCCCCOCCOCCC(=O)N 34a_100000691444_100000731001 [0,2,0,0,0,0|1,0,0]=3 16293 B14R0.394 CCCCCCOCCOCCC(=O)N 7a_100000691444_100000744528 [0,2,0,0,0,0|1,0,0]=3 16294 B14R0.394 CCCCCCOCCOCOC(=O)C 34a_100000691444_100009813279 [0,2,0,0,0,0|2,0,0]=4 16295 B14R0.394 CCCCCCOCOCCOC(=O)C 34a_100000210259_100000076355 [0,2,0,0,0,0|2,0,0]=4 16296 B14R0.394 CCCCCCSCCCCCB(O)O 62a_100000210314_200009817188 [0,2,0,0,0,0|1,0,1]=4 16297 B14R0.394 CCCCCCSCCCCCB(O)O 62a_200009817188_100000210757 [0,2,0,0,0,0|1,0,1]=4 16298 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100000210314_100009817443 [0,2,0,0,0,0|0,0,0]=2 16299 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100009817443_100000210757 [0,2,0,0,0,0|0,0,0]=2 16300 B14R0.394 CCCCCCSCCCCCC(C)C 62a_100000210314_100000210682 [0,2,0,0,0,0|1,0,1]=4 16301 B14R0.394 CCCCCCSCCCCCC(C)C 62a_100000210682_100000210757 [0,2,0,0,0,0|1,0,1]=4 16302 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000033659_100000210757 [0,2,0,0,0,0|1,0,0]=3 16303 B14R0.394 CCCCCCSCCCCOC(=O)C 62a_100000210314_100000033659 [0,2,0,0,0,0|1,0,0]=3 16304 B14R0.394 CCCCCCSCCCCO[N+](=O)[O-] 62a_100000210314_100015694321 [0,2,0,0,0,0|2,0,0]=4 16305 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_100000210314_200010402107 [0,2,0,0,0,0|1,0,0]=3 16306 B14R0.394 CCCCCCSCCCCSC(=O)C 62a_200010402107_100000210757 [0,2,0,0,0,0|1,0,0]=3 16307 B14R0.394 CCCCCCSCOCCOC(=O)C 62a_100000076355_100000210757 [0,2,0,0,0,0|2,0,0]=4 16308 B14R0.394 CCCCCCSCOCCOC(=O)C 62a_100000210314_100000076355 [0,2,0,0,0,0|2,0,0]=4 16309 B14R0.394 CCCCCNCCCCCCB(O)O 2230a_100000209983_100009817187 [0,2,0,0,0,0|1,0,1]=4 16310 B14R0.394 CCCCCNCCCCCCC(C)C 2230a_100000211014_100000210326 [0,2,0,0,0,0|1,0,1]=4 16311 B14R0.394 CCCCCNCCCCCCC(C)C 34a_100000211014_100000718602 [0,2,0,0,0,0|1,0,1]=4 16312 B14R0.394 CCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210326 [0,2,0,0,0,0|1,0,0]=3 16313 B14R0.394 CCCCCNCCCCCNC(=O)C 34a_200012022750_100000718602 [0,2,0,0,0,0|1,0,0]=3 16314 B14R0.394 CCCCCNCCCCCOC(=O)C 2230a_100000209983_100009813381 [0,2,0,0,0,0|1,0,0]=3 16315 B14R0.394 CCCCCNCCOCCCC(=O)C 34a_100000224656_100000685027 [0,2,0,0,0,0|1,0,0]=3 16316 B14R0.394 CCCCCNCCOCCCC(=O)N 34a_100000224656_100102525003 [0,2,0,0,0,0|1,0,0]=3 16317 B14R0.394 CCCCCNCCOCCOC(=O)C 2230a_100000209983_200000083610 [0,2,0,0,0,0|2,0,0]=4 16318 B14R0.394 CCCCCNCCOCCOC(=O)C 34a_100000224656_100009814007 [0,2,0,0,0,0|2,0,0]=4 16319 B14R0.394 CCCCCNCCOCCOC(=O)N 34a_100000224656_200011214921 [0,2,0,0,0,0|2,0,0]=4 16320 B14R0.394 CCCCCOCCCCCCB(O)O 34a_100000210253_100009817187 [0,2,0,0,0,0|1,0,1]=4 16321 B14R0.394 CCCCCOCCCCCCB(O)O 7a_100000210253_100009817187 [0,2,0,0,0,0|1,0,1]=4 16322 B14R0.394 CCCCCOCCCCCOC(=O)C 34a_100000210253_100000033007 [0,2,0,0,0,0|1,0,0]=3 16323 B14R0.394 CCCCCOCCCCCOC(=O)C 7a_100000210253_100000033007 [0,2,0,0,0,0|1,0,0]=3 16324 B14R0.394 CCCCCOCCOCCCC(=O)C 34a_100011215259_100000685027 [0,2,0,0,0,0|1,0,0]=3 16325 B14R0.394 CCCCCOCCOCCCC(=O)C 7a_100011215259_100011215641 [0,2,0,0,0,0|1,0,0]=3 16326 B14R0.394 CCCCCOCCOCCCC(=O)N 34a_100011215259_100102525003 [0,2,0,0,0,0|1,0,0]=3 16327 B14R0.394 CCCCCOCCOCCCC(=O)N 7a_100011215259_100102525003 [0,2,0,0,0,0|1,0,0]=3 16328 B14R0.394 CCCCCOCCOCCNC(=O)C 7a_100011215259_100000189650 [0,2,0,0,0,0|2,0,0]=4 16329 B14R0.394 CCCCCOCCOCCNC(=O)N 7a_100011215259_200000034859 [0,2,0,0,0,0|2,0,0]=4 16330 B14R0.394 CCCCCOCCOCCOC(=O)C 34a_100000210253_200000083610 [0,2,0,0,0,0|2,0,0]=4 16331 B14R0.394 CCCCCOCCOCCOC(=O)C 34a_100011215259_100009814007 [0,2,0,0,0,0|2,0,0]=4 16332 B14R0.394 CCCCCOCCOCCOC(=O)C 7a_100000210253_200000083610 [0,2,0,0,0,0|2,0,0]=4 16333 B14R0.394 CCCCCOCCOCCOC(=O)C 7a_100011215259_100009814007 [0,2,0,0,0,0|2,0,0]=4 16334 B14R0.394 CCCCCOCCOCCOC(=O)N 34a_100011215259_200011214921 [0,2,0,0,0,0|2,0,0]=4 16335 B14R0.394 CCCCCOCCOCCOC(=O)N 7a_100011215259_200011214921 [0,2,0,0,0,0|2,0,0]=4 16336 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100000210326_100009817187 [0,2,0,0,0,0|1,0,1]=4 16337 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100009817187_100000210326 [0,2,0,0,0,0|1,0,1]=4 16338 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000033007_100000210326 [0,2,0,0,0,0|1,0,0]=3 16339 B14R0.394 CCCCCSCCCCCOC(=O)C 62a_100000210326_100000033007 [0,2,0,0,0,0|1,0,0]=3 16340 B14R0.394 CCCCCSCCOCCOC(=O)C 62a_100000210326_200000083610 [0,2,0,0,0,0|2,0,0]=4 16341 B14R0.394 CCCCCSCCOCCOC(=O)C 62a_200000083610_100000210326 [0,2,0,0,0,0|2,0,0]=4 16342 B14R0.394 CCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210211 [0,2,0,0,0,0|1,0,0]=3 16343 B14R0.394 CCCCNCCCCCCNC(=O)C 34a_200011996284_100000210210 [0,2,0,0,0,0|1,0,0]=3 16344 B14R0.394 CCCCNCCCCOCCC(=O)N 34a_200011216965_100000731001 [0,2,0,0,0,0|1,0,0]=3 16345 B14R0.394 CCCCNCCCCOCOC(=O)C 34a_200011216965_100009813279 [0,2,0,0,0,0|2,0,0]=4 16346 B14R0.394 CCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210211 [0,2,0,0,0,0|2,0,0]=4 16347 B14R0.394 CCCCOCCCCCCCC(C)C 34a_200000210741_100000210210 [0,2,0,0,0,0|1,0,1]=4 16348 B14R0.394 CCCCOCCCCCCCC(C)C 7a_200000210741_100000210211 [0,2,0,0,0,0|1,0,1]=4 16349 B14R0.394 CCCCOCCCCOCCC(=O)C 7a_200000760531_100000053229 [0,2,0,0,0,0|1,0,0]=3 16350 B14R0.394 CCCCOCCCCOCCC(=O)N 34a_200000760531_100000731001 [0,2,0,0,0,0|1,0,0]=3 16351 B14R0.394 CCCCOCCCCOCCC(=O)N 7a_200000760531_100000744528 [0,2,0,0,0,0|1,0,0]=3 16352 B14R0.394 CCCCOCCCCOCOC(=O)C 34a_200000760531_100009813279 [0,2,0,0,0,0|2,0,0]=4 16353 B14R0.394 CCCCOCCCNCCCC(=O)C 34a_200000211371_100000685027 [0,2,0,0,0,0|1,0,0]=3 16354 B14R0.394 CCCCOCCCNCCCC(=O)N 34a_200000211371_100102525003 [0,2,0,0,0,0|1,0,0]=3 16355 B14R0.394 CCCCOCCCNCCNC(=O)C 2230a_200000211371_100000189650 [0,2,0,0,0,0|2,0,0]=4 16356 B14R0.394 CCCCOCCCNCCNC(=O)N 2230a_200000211371_200000034859 [0,2,0,0,0,0|2,0,0]=4 16357 B14R0.394 CCCCOCCCNCCOC(=O)C 34a_200000211371_100009814007 [0,2,0,0,0,0|2,0,0]=4 16358 B14R0.394 CCCCOCCCNCCOC(=O)N 34a_200000211371_200011214921 [0,2,0,0,0,0|2,0,0]=4 16359 B14R0.394 CCCCOCCCOCCCC(=O)C 34a_200011215613_100000685027 [0,2,0,0,0,0|1,0,0]=3 16360 B14R0.394 CCCCOCCCOCCCC(=O)C 7a_200011215613_100011215641 [0,2,0,0,0,0|1,0,0]=3 16361 B14R0.394 CCCCOCCCOCCCC(=O)N 34a_200011215613_100102525003 [0,2,0,0,0,0|1,0,0]=3 16362 B14R0.394 CCCCOCCCOCCCC(=O)N 7a_200011215613_100102525003 [0,2,0,0,0,0|1,0,0]=3 16363 B14R0.394 CCCCOCCCOCCNC(=O)C 7a_200011215613_100000189650 [0,2,0,0,0,0|2,0,0]=4 16364 B14R0.394 CCCCOCCCOCCNC(=O)N 7a_200011215613_200000034859 [0,2,0,0,0,0|2,0,0]=4 16365 B14R0.394 CCCCOCCCOCCOC(=O)C 34a_200011215613_100009814007 [0,2,0,0,0,0|2,0,0]=4 16366 B14R0.394 CCCCOCCCOCCOC(=O)C 7a_200011215613_100009814007 [0,2,0,0,0,0|2,0,0]=4 16367 B14R0.394 CCCCOCCCOCCOC(=O)N 34a_200011215613_200011214921 [0,2,0,0,0,0|2,0,0]=4 16368 B14R0.394 CCCCOCCCOCCOC(=O)N 7a_200011215613_200011214921 [0,2,0,0,0,0|2,0,0]=4 16369 B14R0.394 CCCCOCCNCCCCC(=O)N 34a_100000696515_100000743108 [0,2,0,0,0,0|1,0,0]=3 16370 B14R0.394 CCCCOCCNCCCNC(=O)C 34a_100000736810_100000743108 [0,2,0,0,0,0|2,0,0]=4 16371 B14R0.394 CCCCOCCNCCOCC(=O)O 269956a_100000700818_100000743108 [0,2,0,0,0,0|2,0,0]=4 16372 B14R0.394 CCCCOCCOCCCCC(=O)C 34a_100000210238_100009817362 [0,2,0,0,0,0|1,0,0]=3 16373 B14R0.394 CCCCOCCOCCCCC(=O)C 7a_100000210238_100000735457 [0,2,0,0,0,0|1,0,0]=3 16374 B14R0.394 CCCCOCCOCCCCC(=O)N 34a_100012022536_100000743108 [0,2,0,0,0,0|1,0,0]=3 16375 B14R0.394 CCCCOCCOCCCCC(=O)N 7a_100012022536_100000743108 [0,2,0,0,0,0|1,0,0]=3 16376 B14R0.394 CCCCOCCOCCCC[N+](=O)[O-] 34a_200015379883_100000743108 [0,2,0,0,0,0|2,0,0]=4 16377 B14R0.394 CCCCOCCOCCCC[N+](=O)[O-] 7a_200015379883_100000743108 [0,2,0,0,0,0|2,0,0]=4 16378 B14R0.394 CCCCOCCOCCCNC(=O)C 34a_100000752032_100000743108 [0,2,0,0,0,0|2,0,0]=4 16379 B14R0.394 CCCCOCCOCCCOC(=O)C 34a_100000210238_100000042594 [0,2,0,0,0,0|2,0,0]=4 16380 B14R0.394 CCCCOCCOCCCOC(=O)C 7a_100000210238_100000042594 [0,2,0,0,0,0|2,0,0]=4 16381 B14R0.394 CCCCOCCOCCCSC(=O)C 34a_100000210238_100000038929 [0,2,0,0,0,0|2,0,0]=4 16382 B14R0.394 CCCCOCCOCCCSC(=O)C 7a_100000210238_100000038929 [0,2,0,0,0,0|2,0,0]=4 16383 B14R0.394 CCCCOCCOCCOCC(=O)N 34a_100000210238_100000076697 [0,2,0,0,0,0|2,0,0]=4 16384 B14R0.394 CCCCOCCOCCOCC(=O)N 34a_100011215186_100000187820 [0,2,0,0,0,0|2,0,0]=4 16385 B14R0.394 CCCCOCCOCCOCC(=O)N 7a_100000210238_100000076697 [0,2,0,0,0,0|2,0,0]=4 16386 B14R0.394 CCCCOCCOCCOCC(=O)N 7a_100011215186_100000187820 [0,2,0,0,0,0|2,0,0]=4 16387 B14R0.394 CCCCOCCOCCOCC(=O)[O-] 34a_100011215186_100020667443 [0,2,0,0,0,0|2,0,0]=4 16388 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000735457_100000743108 [0,2,0,0,0,0|1,0,0]=3 16389 B14R0.394 CCCCOCCSCCCCC(=O)C 62a_100000743108_100000735457 [0,2,0,0,0,0|1,0,0]=3 16390 B14R0.394 CCCCOCCSCCCOC(=O)C 62a_100000042594_100000743108 [0,2,0,0,0,0|2,0,0]=4 16391 B14R0.394 CCCCOCCSCCCOC(=O)C 62a_100000743108_100000042594 [0,2,0,0,0,0|2,0,0]=4 16392 B14R0.394 CCCCOCCSCCCSC(=O)C 62a_100000038929_100000743108 [0,2,0,0,0,0|2,0,0]=4 16393 B14R0.394 CCCCOCCSCCCSC(=O)C 62a_100000743108_100000038929 [0,2,0,0,0,0|2,0,0]=4 16394 B14R0.394 CCCCOCCSCCOCC(=O)N 62a_100000076697_100000743108 [0,2,0,0,0,0|2,0,0]=4 16395 B14R0.394 CCCCOCCSCCOCC(=O)N 62a_100000743108_100000076697 [0,2,0,0,0,0|2,0,0]=4 16396 B14R0.394 CCCCOCNCCCCNC(=O)C 2230a_200011368371_100011995733 [0,2,0,0,0,0|2,0,0]=4 16397 B14R0.394 CCCCOCNCCCCNC(=O)C 34a_200011368371_100011995733 [0,2,0,0,0,0|2,0,0]=4 16398 B14R0.394 CCCCOCOCCCCCC(=O)N 34a_100000123541_100011995733 [0,2,0,0,0,0|1,0,0]=3 16399 B14R0.394 CCCCOCOCCCCOC(=O)C 34a_100000073216_100011995733 [0,2,0,0,0,0|2,0,0]=4 16400 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100009817443_100011995733 [0,2,0,0,0,0|1,0,0]=3 16401 B14R0.394 CCCCOCSCCCCCC(=O)N 62a_100011995733_100009817443 [0,2,0,0,0,0|1,0,0]=3 16402 B14R0.394 CCCCOCSCCCCOC(=O)C 62a_100000033659_100011995733 [0,2,0,0,0,0|2,0,0]=4 16403 B14R0.394 CCCCOCSCCCCOC(=O)C 62a_100011995733_100000033659 [0,2,0,0,0,0|2,0,0]=4 16404 B14R0.394 CCCCOCSCCCCSC(=O)C 62a_100011995733_200010402107 [0,2,0,0,0,0|2,0,0]=4 16405 B14R0.394 CCCCOCSCCCCSC(=O)C 62a_200010402107_100011995733 [0,2,0,0,0,0|2,0,0]=4 16406 B14R0.394 CCCCSCCNCCCSC(=O)C 2230a_100025743550_100000038929 [0,2,0,0,0,0|2,0,0]=4 16407 B14R0.394 CCCCSCCNCCOCC(=O)N 2230a_100025743550_100000076697 [0,2,0,0,0,0|2,0,0]=4 16408 B14R0.394 CCCCSCCOCCCCC(=O)C 34a_200000230436_100009817362 [0,2,0,0,0,0|1,0,0]=3 16409 B14R0.394 CCCCSCCOCCCCC(=O)C 7a_200000230436_100000735457 [0,2,0,0,0,0|1,0,0]=3 16410 B14R0.394 CCCCSCCOCCCOC(=O)C 34a_200000230436_100000042594 [0,2,0,0,0,0|2,0,0]=4 16411 B14R0.394 CCCCSCCOCCCOC(=O)C 7a_200000230436_100000042594 [0,2,0,0,0,0|2,0,0]=4 16412 B14R0.394 CCCCSCCOCCCSC(=O)C 34a_200000230436_100000038929 [0,2,0,0,0,0|2,0,0]=4 16413 B14R0.394 CCCCSCCOCCCSC(=O)C 7a_200000230436_100000038929 [0,2,0,0,0,0|2,0,0]=4 16414 B14R0.394 CCCCSCCOCCOCC(=O)N 34a_200000230436_100000076697 [0,2,0,0,0,0|2,0,0]=4 16415 B14R0.394 CCCCSCCOCCOCC(=O)N 7a_200000230436_100000076697 [0,2,0,0,0,0|2,0,0]=4 16416 B14R0.394 CCCOCCCNCCCCC(=O)C 34a_100011217757_100009817362 [0,2,0,0,0,0|1,0,0]=3 16417 B14R0.394 CCCOCCCNCCCOC(=O)C 34a_100011217757_100000042594 [0,2,0,0,0,0|2,0,0]=4 16418 B14R0.394 CCCOCCCNCCCSC(=O)C 2230a_100011217757_100000038929 [0,2,0,0,0,0|2,0,0]=4 16419 B14R0.394 CCCOCCCNCCCSC(=O)C 34a_100011217757_100000038929 [0,2,0,0,0,0|2,0,0]=4 16420 B14R0.394 CCCOCCCNCCOCC(=O)N 2230a_100011217757_100000076697 [0,2,0,0,0,0|2,0,0]=4 16421 B14R0.394 CCCOCCCNCCOCC(=O)N 34a_100011217757_100000076697 [0,2,0,0,0,0|2,0,0]=4 16422 B14R0.394 CCCOCCNCCCCCC(=O)N 2230a_100161115042_100009817443 [0,2,0,0,0,0|1,0,0]=3 16423 B14R0.394 CCCOCCNCCCCCC(=O)N 34a_100161115042_100009817443 [0,2,0,0,0,0|1,0,0]=3 16424 B14R0.394 CCCOCCNCCCCNC(=O)C 2230a_200011368371_100011215938 [0,2,0,0,0,0|2,0,0]=4 16425 B14R0.394 CCCOCCNCCCCNC(=O)C 34a_200011368371_100011215938 [0,2,0,0,0,0|2,0,0]=4 16426 B14R0.394 CCCOCCNCCCCOC(=O)C 34a_100161115042_100000033659 [0,2,0,0,0,0|2,0,0]=4 16427 B14R0.394 CCCOCCNCCCCSC(=O)C 2230a_100161115042_200010402107 [0,2,0,0,0,0|2,0,0]=4 16428 B14R0.394 CCCOCCNCCCCSC(=O)C 34a_100161115042_200010402107 [0,2,0,0,0,0|2,0,0]=4 16429 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000123541_100011215938 [0,2,0,0,0,0|1,0,0]=3 16430 B14R0.394 CCCOCCOCCCCCC(=O)N 34a_100000752267_100009817443 [0,2,0,0,0,0|1,0,0]=3 16431 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000123541_100011215938 [0,2,0,0,0,0|1,0,0]=3 16432 B14R0.394 CCCOCCOCCCCCC(=O)N 7a_100000752267_100009817443 [0,2,0,0,0,0|1,0,0]=3 16433 B14R0.394 CCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215938 [0,2,0,0,0,0|1,0,0]=3 16434 B14R0.394 CCCOCCOCCCCOC(=O)C 34a_100000073216_100011215938 [0,2,0,0,0,0|2,0,0]=4 16435 B14R0.394 CCCOCCOCCCCOC(=O)C 34a_100000752267_100000033659 [0,2,0,0,0,0|2,0,0]=4 16436 B14R0.394 CCCOCCOCCCCOC(=O)C 7a_100000073216_100011215938 [0,2,0,0,0,0|2,0,0]=4 16437 B14R0.394 CCCOCCOCCCCOC(=O)C 7a_100000752267_100000033659 [0,2,0,0,0,0|2,0,0]=4 16438 B14R0.394 CCCOCCOCCCCSC(=O)C 34a_100000752267_200010402107 [0,2,0,0,0,0|2,0,0]=4 16439 B14R0.394 CCCOCCOCCCCSC(=O)C 7a_100000752267_200010402107 [0,2,0,0,0,0|2,0,0]=4 16440 B14R0.394 CCCOCCOCCNCCC(=O)N 2230a_200011904461_100000744528 [0,2,0,0,0,0|2,0,0]=4 16441 B14R0.394 CCCOCCOCCNCCC(=O)N 34a_200011904461_100000731001 [0,2,0,0,0,0|2,0,0]=4 16442 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100009817443_100011215938 [0,2,0,0,0,0|1,0,0]=3 16443 B14R0.394 CCCOCCSCCCCCC(=O)N 62a_100011215938_100009817443 [0,2,0,0,0,0|1,0,0]=3 16444 B14R0.394 CCCOCCSCCCCOC(=O)C 62a_100000033659_100011215938 [0,2,0,0,0,0|2,0,0]=4 16445 B14R0.394 CCCOCCSCCCCOC(=O)C 62a_100011215938_100000033659 [0,2,0,0,0,0|2,0,0]=4 16446 B14R0.394 CCCOCCSCCCCSC(=O)C 62a_100011215938_200010402107 [0,2,0,0,0,0|2,0,0]=4 16447 B14R0.394 CCCOCCSCCCCSC(=O)C 62a_200010402107_100011215938 [0,2,0,0,0,0|2,0,0]=4 16448 B14R0.394 CCCSCCNCCCCCC(=O)N 2230a_100020603323_100009817443 [0,2,0,0,0,0|1,0,0]=3 16449 B14R0.394 CCCSCCNCCCCSC(=O)C 2230a_100020603323_200010402107 [0,2,0,0,0,0|2,0,0]=4 16450 B14R0.394 CCCSCCOCCCCCC(=O)N 34a_200000230433_100009817443 [0,2,0,0,0,0|1,0,0]=3 16451 B14R0.394 CCCSCCOCCCCCC(=O)N 7a_200000230433_100009817443 [0,2,0,0,0,0|1,0,0]=3 16452 B14R0.394 CCCSCCOCCCCOC(=O)C 34a_200000230433_100000033659 [0,2,0,0,0,0|2,0,0]=4 16453 B14R0.394 CCCSCCOCCCCOC(=O)C 7a_200000230433_100000033659 [0,2,0,0,0,0|2,0,0]=4 16454 B14R0.394 CCCSCCOCCCCSC(=O)C 34a_200000230433_200010402107 [0,2,0,0,0,0|2,0,0]=4 16455 B14R0.394 CCCSCCOCCCCSC(=O)C 7a_200000230433_200010402107 [0,2,0,0,0,0|2,0,0]=4 16456 B14R0.394 CCOCCCNCCCCCC(=O)N 2230a_100000210961_100009817443 [0,2,0,0,0,0|1,0,0]=3 16457 B14R0.394 CCOCCCNCCCCCC(=O)N 34a_100000210961_100009817443 [0,2,0,0,0,0|1,0,0]=3 16458 B14R0.394 CCOCCCNCCCCNC(=O)C 2230a_200011368371_100012232248 [0,2,0,0,0,0|2,0,0]=4 16459 B14R0.394 CCOCCCNCCCCNC(=O)C 34a_200011368371_100012232248 [0,2,0,0,0,0|2,0,0]=4 16460 B14R0.394 CCOCCCNCCCCOC(=O)C 34a_100000210961_100000033659 [0,2,0,0,0,0|2,0,0]=4 16461 B14R0.394 CCOCCCNCCCCSC(=O)C 2230a_100000210961_200010402107 [0,2,0,0,0,0|2,0,0]=4 16462 B14R0.394 CCOCCCNCCCCSC(=O)C 34a_100000210961_200010402107 [0,2,0,0,0,0|2,0,0]=4 16463 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000123541_100012232248 [0,2,0,0,0,0|1,0,0]=3 16464 B14R0.394 CCOCCCOCCCCCC(=O)N 34a_100000757476_100009817443 [0,2,0,0,0,0|1,0,0]=3 16465 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000123541_100012232248 [0,2,0,0,0,0|1,0,0]=3 16466 B14R0.394 CCOCCCOCCCCCC(=O)N 7a_100000757476_100009817443 [0,2,0,0,0,0|1,0,0]=3 16467 B14R0.394 CCOCCCOCCCCCC(=O)[O-] 7a_100102619762_100012232248 [0,2,0,0,0,0|1,0,0]=3 16468 B14R0.394 CCOCCCOCCCCOC(=O)C 34a_100000073216_100012232248 [0,2,0,0,0,0|2,0,0]=4 16469 B14R0.394 CCOCCCOCCCCOC(=O)C 34a_100000757476_100000033659 [0,2,0,0,0,0|2,0,0]=4 16470 B14R0.394 CCOCCCOCCCCOC(=O)C 7a_100000073216_100012232248 [0,2,0,0,0,0|2,0,0]=4 16471 B14R0.394 CCOCCCOCCCCOC(=O)C 7a_100000757476_100000033659 [0,2,0,0,0,0|2,0,0]=4 16472 B14R0.394 CCOCCCOCCCCSC(=O)C 34a_100000757476_200010402107 [0,2,0,0,0,0|2,0,0]=4 16473 B14R0.394 CCOCCCOCCCCSC(=O)C 7a_100000757476_200010402107 [0,2,0,0,0,0|2,0,0]=4 16474 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100009817443_100012232248 [0,2,0,0,0,0|1,0,0]=3 16475 B14R0.394 CCOCCCSCCCCCC(=O)N 62a_100012232248_100009817443 [0,2,0,0,0,0|1,0,0]=3 16476 B14R0.394 CCOCCCSCCCCOC(=O)C 62a_100000033659_100012232248 [0,2,0,0,0,0|2,0,0]=4 16477 B14R0.394 CCOCCCSCCCCOC(=O)C 62a_100012232248_100000033659 [0,2,0,0,0,0|2,0,0]=4 16478 B14R0.394 CCOCCCSCCCCSC(=O)C 62a_100012232248_200010402107 [0,2,0,0,0,0|2,0,0]=4 16479 B14R0.394 CCOCCCSCCCCSC(=O)C 62a_200010402107_100012232248 [0,2,0,0,0,0|2,0,0]=4 16480 B14R0.394 CCOCCNCCCCCNC(=O)C 2230a_200012022750_100011215890 [0,2,0,0,0,0|2,0,0]=4 16481 B14R0.394 CCOCCNCCCCCNC(=O)C 34a_200012022750_100000210147 [0,2,0,0,0,0|2,0,0]=4 16482 B14R0.394 CCOCCNCCCCCOC(=O)C 2230a_102516460346_100009813381 [0,2,0,0,0,0|2,0,0]=4 16483 B14R0.394 CCOCCNCCCCCOC(=O)C 34a_102516460346_100000033007 [0,2,0,0,0,0|2,0,0]=4 16484 B14R0.394 CCOCCOCCCCCOC(=O)C 34a_100000210136_100000033007 [0,2,0,0,0,0|2,0,0]=4 16485 B14R0.394 CCOCCOCCCCCOC(=O)C 7a_100000210136_100000033007 [0,2,0,0,0,0|2,0,0]=4 16486 B14R0.394 CCOCCOCCNCCCC(=O)C 34a_100102712874_100000685027 [0,2,0,0,0,0|2,0,0]=4 16487 B14R0.394 CCOCCOCCNCCCC(=O)N 34a_100000739312_100011211534 [0,2,0,0,0,0|2,0,0]=4 16488 B14R0.394 CCOCCOCCNCCCC(=O)N 34a_100102712874_100102525003 [0,2,0,0,0,0|2,0,0]=4 16489 B14R0.394 CCOCCOCCOCCCC(=O)C 34a_100000210240_100000685027 [0,2,0,0,0,0|2,0,0]=4 16490 B14R0.394 CCOCCOCCOCCCC(=O)C 34a_100000759063_100011211534 [0,2,0,0,0,0|2,0,0]=4 16491 B14R0.394 CCOCCOCCOCCCC(=O)C 7a_100000210240_100011215641 [0,2,0,0,0,0|2,0,0]=4 16492 B14R0.394 CCOCCOCCOCCCC(=O)C 7a_100000759063_100011211534 [0,2,0,0,0,0|2,0,0]=4 16493 B14R0.394 CCOCCOCCOCCCC(=O)N 34a_100000210240_100102525003 [0,2,0,0,0,0|2,0,0]=4 16494 B14R0.394 CCOCCOCCOCCCC(=O)N 7a_100000210240_100102525003 [0,2,0,0,0,0|2,0,0]=4 16495 B14R0.394 CCOCCOCCSCCCC(=O)C 62a_100011211534_100011215641 [0,2,0,0,0,0|2,0,0]=4 16496 B14R0.394 CCOCCOCCSCCCC(=O)C 62a_100011215641_100011211534 [0,2,0,0,0,0|2,0,0]=4 16497 B14R0.394 CCOCCOCCSCCCC(=O)N 62a_100011211534_100102525003 [0,2,0,0,0,0|2,0,0]=4 16498 B14R0.394 CCOCCOCCSCCCC(=O)N 62a_100102525003_100011211534 [0,2,0,0,0,0|2,0,0]=4 16499 B14R0.394 CCOCCSCCCCCOC(=O)C 62a_100000033007_100011215890 [0,2,0,0,0,0|2,0,0]=4 16500 B14R0.394 CCOCCSCCCCCOC(=O)C 62a_100000210147_100000033007 [0,2,0,0,0,0|2,0,0]=4 16501 B14R0.394 CCSCCCOCCCCCC(=O)N 34a_100011216438_100009817443 [0,2,0,0,0,0|1,0,0]=3 16502 B14R0.394 CCSCCCOCCCCCC(=O)N 7a_100011216438_100009817443 [0,2,0,0,0,0|1,0,0]=3 16503 B14R0.394 CCSCCCOCCCCOC(=O)C 34a_100011216438_100000033659 [0,2,0,0,0,0|2,0,0]=4 16504 B14R0.394 CCSCCCOCCCCOC(=O)C 7a_100011216438_100000033659 [0,2,0,0,0,0|2,0,0]=4 16505 B14R0.394 CCSCCCOCCCCSC(=O)C 34a_100011216438_200010402107 [0,2,0,0,0,0|2,0,0]=4 16506 B14R0.394 CCSCCCOCCCCSC(=O)C 7a_100011216438_200010402107 [0,2,0,0,0,0|2,0,0]=4 16507 B14R0.394 CCSCCNCCCCCNC(=O)C 2230a_200012022750_100000757381 [0,2,0,0,0,0|2,0,0]=4 16508 B14R0.394 CCSCCNCCCCCNC(=O)C 34a_200012022750_100000757381 [0,2,0,0,0,0|2,0,0]=4 16509 B14R0.394 CCSCCNCCCCCOC(=O)C 2230a_100000106463_100009813381 [0,2,0,0,0,0|2,0,0]=4 16510 B14R0.394 CCSCCOCCCCCOC(=O)C 34a_100000212035_100000033007 [0,2,0,0,0,0|2,0,0]=4 16511 B14R0.394 CCSCCOCCCCCOC(=O)C 7a_100000212035_100000033007 [0,2,0,0,0,0|2,0,0]=4 16512 B14R0.394 CCSCCSCCCCCOC(=O)C 62a_100000033007_100000757381 [0,2,0,0,0,0|2,0,0]=4 16513 B14R0.394 CCSCCSCCCCCOC(=O)C 62a_100000757381_100000033007 [0,2,0,0,0,0|2,0,0]=4 16514 B14R0.394 CN(C)CCCCCCCCCCCO 2230a_100102631434_100009812471 [0,2,0,0,0,0|0,0,2]=4 16515 B14R0.394 CN(C)CCCCCCCCCCCO 269982a_100102631434_100009812471 [0,2,0,0,0,0|0,0,2]=4 16516 B14R0.394 CN(C)CCCCSCCCCCC=O 62a_100000139337_100000690147 [0,2,0,0,0,0|1,0,0]=3 16517 B14R0.394 CNCCCCCCCCCCC(=O)N 2230a_106832991635_200010167045 [0,2,0,0,0,0|0,0,0]=2 16518 B14R0.394 CNCCCCCCCCCCC(=O)N 34a_100102657272_200010167045 [0,2,0,0,0,0|0,0,0]=2 16519 B14R0.394 CNCCCCCCCCCCC(=O)N 7a_106832991635_200010167045 [0,2,0,0,0,0|0,0,0]=2 16520 B14R0.394 CNCCCCCOCCCCC(=O)C 34a_100000722520_100009817362 [0,2,0,0,0,0|1,0,0]=3 16521 B14R0.394 CNCCCCCOCCCCC(C)C 34a_100000722520_100011216152 [0,2,0,0,0,0|2,0,0]=4 16522 B14R0.394 CNCCCCCOCCCOC(=O)C 34a_100000722520_100000042594 [0,2,0,0,0,0|2,0,0]=4 16523 B14R0.394 CNCCCCCOCCCSC(=O)C 34a_100000722520_100000038929 [0,2,0,0,0,0|2,0,0]=4 16524 B14R0.394 CNCCCCCOCCOCC(=O)N 34a_100000722520_100000076697 [0,2,0,0,0,0|2,0,0]=4 16525 B14R0.394 CNCCCOCCCCCOC(=O)C 34a_100000213112_100000033007 [0,2,0,0,0,0|2,0,0]=4 16526 B14R0.394 CNCCOCCOCCCCC(=O)C 34a_100000228057_100009817362 [0,2,0,0,0,0|2,0,0]=4 16527 B14R0.394 COCCCCCCCCCCC(=O)N 34a_100138415774_200010167045 [0,2,0,0,0,0|0,0,0]=2 16528 B14R0.394 COCCCCCCNCCCC(=O)N 34a_100000739312_100011998445 [0,2,0,0,0,0|1,0,0]=3 16529 B14R0.394 COCCCCCCNCCCC(C)C 2230a_200000737386_100011998445 [0,2,0,0,0,0|2,0,0]=4 16530 B14R0.394 COCCCCCCNCCCC(C)C 34a_200000737386_100011998445 [0,2,0,0,0,0|2,0,0]=4 16531 B14R0.394 COCCCCCCNCCCS(=O)C 2230a_200000753449_100011998445 [0,2,0,0,0,0|2,0,0]=4 16532 B14R0.394 COCCCCCCNCCNC(=O)C 2230a_100000209853_100011998445 [0,2,0,0,0,0|2,0,0]=4 16533 B14R0.394 COCCCCCCNCCNC(=O)N 34a_100020590234_100011998445 [0,2,0,0,0,0|2,0,0]=4 16534 B14R0.394 COCCCCCCOCCCC(=O)C 34a_100000759063_100011998445 [0,2,0,0,0,0|1,0,0]=3 16535 B14R0.394 COCCCCCCOCCCC(=O)C 34a_200012092642_100000685027 [0,2,0,0,0,0|1,0,0]=3 16536 B14R0.394 COCCCCCCOCCCC(=O)C 7a_100000759063_100011998445 [0,2,0,0,0,0|1,0,0]=3 16537 B14R0.394 COCCCCCCOCCCC(=O)C 7a_200012092642_100011215641 [0,2,0,0,0,0|1,0,0]=3 16538 B14R0.394 COCCCCCCOCCCC(=O)N 34a_200012092642_100102525003 [0,2,0,0,0,0|1,0,0]=3 16539 B14R0.394 COCCCCCCOCCCC(=O)N 7a_200012092642_100102525003 [0,2,0,0,0,0|1,0,0]=3 16540 B14R0.394 COCCCCCCOCCCC(C)C 34a_100000210774_100011998445 [0,2,0,0,0,0|2,0,0]=4 16541 B14R0.394 COCCCCCCOCCCC(C)C 34a_200012092642_100011214892 [0,2,0,0,0,0|2,0,0]=4 16542 B14R0.394 COCCCCCCOCCCC(C)C 7a_100000210774_100011998445 [0,2,0,0,0,0|2,0,0]=4 16543 B14R0.394 COCCCCCCOCCCC(C)C 7a_200012092642_100011214892 [0,2,0,0,0,0|2,0,0]=4 16544 B14R0.394 COCCCCCCOCCCC(C)O 34a_200012092642_200000718107 [0,2,0,0,0,0|2,0,0]=4 16545 B14R0.394 COCCCCCCOCCCC(C)O 7a_200012092642_200000718107 [0,2,0,0,0,0|2,0,0]=4 16546 B14R0.394 COCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011998445 [0,2,0,0,0,0|2,0,0]=4 16547 B14R0.394 COCCCCCCOCCNC(=O)C 34a_100000158858_100011998445 [0,2,0,0,0,0|2,0,0]=4 16548 B14R0.394 COCCCCCCOCCNC(=O)C 7a_200012092642_100000189650 [0,2,0,0,0,0|2,0,0]=4 16549 B14R0.394 COCCCCCCOCCNC(=O)N 34a_100000181757_100011998445 [0,2,0,0,0,0|2,0,0]=4 16550 B14R0.394 COCCCCCCOCCNC(=O)N 7a_200012092642_200000034859 [0,2,0,0,0,0|2,0,0]=4 16551 B14R0.394 COCCCCCCOCCOC(=O)C 34a_200012092642_100009814007 [0,2,0,0,0,0|2,0,0]=4 16552 B14R0.394 COCCCCCCOCCOC(=O)C 7a_200012092642_100009814007 [0,2,0,0,0,0|2,0,0]=4 16553 B14R0.394 COCCCCCCOCCOC(=O)N 34a_200012092642_200011214921 [0,2,0,0,0,0|2,0,0]=4 16554 B14R0.394 COCCCCCCOCCOC(=O)N 7a_100000766696_100011998445 [0,2,0,0,0,0|2,0,0]=4 16555 B14R0.394 COCCCCCCOCCOC(=O)N 7a_200012092642_200011214921 [0,2,0,0,0,0|2,0,0]=4 16556 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011215641_100011998445 [0,2,0,0,0,0|1,0,0]=3 16557 B14R0.394 COCCCCCCSCCCC(=O)C 62a_100011998445_100011215641 [0,2,0,0,0,0|1,0,0]=3 16558 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100011998445_100102525003 [0,2,0,0,0,0|1,0,0]=3 16559 B14R0.394 COCCCCCCSCCCC(=O)N 62a_100102525003_100011998445 [0,2,0,0,0,0|1,0,0]=3 16560 B14R0.394 COCCCCCCSCCCC(C)C 62a_100011214892_100011998445 [0,2,0,0,0,0|2,0,0]=4 16561 B14R0.394 COCCCCCCSCCCC(C)C 62a_100011998445_100011214892 [0,2,0,0,0,0|2,0,0]=4 16562 B14R0.394 COCCCCCCSCCCC(C)O 62a_100011998445_200000718107 [0,2,0,0,0,0|2,0,0]=4 16563 B14R0.394 COCCCCCCSCCCC(C)O 62a_200000718107_100011998445 [0,2,0,0,0,0|2,0,0]=4 16564 B14R0.394 COCCCCCCSCCNC(=O)C 62a_100000189650_100011998445 [0,2,0,0,0,0|2,0,0]=4 16565 B14R0.394 COCCCCCCSCCNC(=O)C 62a_100011998445_100000189650 [0,2,0,0,0,0|2,0,0]=4 16566 B14R0.394 COCCCCCCSCCNC(=O)N 62a_100011998445_200000034859 [0,2,0,0,0,0|2,0,0]=4 16567 B14R0.394 COCCCCCCSCCNC(=O)N 62a_200000034859_100011998445 [0,2,0,0,0,0|2,0,0]=4 16568 B14R0.394 COCCCCCCSCCOC(=O)C 62a_100009814007_100011998445 [0,2,0,0,0,0|2,0,0]=4 16569 B14R0.394 COCCCCCCSCCOC(=O)C 62a_100011998445_100009814007 [0,2,0,0,0,0|2,0,0]=4 16570 B14R0.394 COCCCCCCSCCOC(=O)N 62a_100011998445_200011214921 [0,2,0,0,0,0|2,0,0]=4 16571 B14R0.394 COCCCCCCSCCOC(=O)N 62a_200011214921_100011998445 [0,2,0,0,0,0|2,0,0]=4 16572 B14R0.394 COCCCCCNCCCCC(=O)C 34a_100000747528_100009817362 [0,2,0,0,0,0|1,0,0]=3 16573 B14R0.394 COCCCCCNCCCCC(C)C 2230a_100000747528_100011216152 [0,2,0,0,0,0|2,0,0]=4 16574 B14R0.394 COCCCCCNCCCCC(C)C 34a_100000747528_100011216152 [0,2,0,0,0,0|2,0,0]=4 16575 B14R0.394 COCCCCCNCCCOC(=O)C 34a_100000747528_100000042594 [0,2,0,0,0,0|2,0,0]=4 16576 B14R0.394 COCCCCCNCCCSC(=O)C 2230a_100000747528_100000038929 [0,2,0,0,0,0|2,0,0]=4 16577 B14R0.394 COCCCCCNCCCSC(=O)C 34a_100000747528_100000038929 [0,2,0,0,0,0|2,0,0]=4 16578 B14R0.394 COCCCCCNCCOCC(=O)N 2230a_100000747528_100000076697 [0,2,0,0,0,0|2,0,0]=4 16579 B14R0.394 COCCCCCNCCOCC(=O)N 34a_100000747528_100000076697 [0,2,0,0,0,0|2,0,0]=4 16580 B14R0.394 COCCCCNCCCCCC(C)C 2230a_100011290863_100000730899 [0,2,0,0,0,0|2,0,0]=4 16581 B14R0.394 COCCCCNCCCCCC(C)C 34a_100011290863_100000755781 [0,2,0,0,0,0|2,0,0]=4 16582 B14R0.394 COCCCCNCCCCNC(=O)C 2230a_200011368371_100000730899 [0,2,0,0,0,0|2,0,0]=4 16583 B14R0.394 COCCCCNCCCCNC(=O)C 34a_200011368371_100000755781 [0,2,0,0,0,0|2,0,0]=4 16584 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000123541_100000755781 [0,2,0,0,0,0|1,0,0]=3 16585 B14R0.394 COCCCCOCCCCCC(=O)N 34a_100000740925_100009817443 [0,2,0,0,0,0|1,0,0]=3 16586 B14R0.394 COCCCCOCCCCCC(=O)N 7a_100000123541_100000730899 [0,2,0,0,0,0|1,0,0]=3 16587 B14R0.394 COCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000730899 [0,2,0,0,0,0|1,0,0]=3 16588 B14R0.394 COCCCCOCCCCCC(C)C 34a_100000740925_100000210682 [0,2,0,0,0,0|2,0,0]=4 16589 B14R0.394 COCCCCOCCCCCC(C)C 34a_100011995859_100000755781 [0,2,0,0,0,0|2,0,0]=4 16590 B14R0.394 COCCCCOCCCCCC(C)C 7a_100011995859_100000730899 [0,2,0,0,0,0|2,0,0]=4 16591 B14R0.394 COCCCCOCCCCOC(=O)C 34a_100000073216_100000755781 [0,2,0,0,0,0|2,0,0]=4 16592 B14R0.394 COCCCCOCCCCOC(=O)C 34a_100000740925_100000033659 [0,2,0,0,0,0|2,0,0]=4 16593 B14R0.394 COCCCCOCCCCOC(=O)C 7a_100000073216_100000730899 [0,2,0,0,0,0|2,0,0]=4 16594 B14R0.394 COCCCCOCCCCSC(=O)C 34a_100000740925_200010402107 [0,2,0,0,0,0|2,0,0]=4 16595 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100000730899_100009817443 [0,2,0,0,0,0|1,0,0]=3 16596 B14R0.394 COCCCCSCCCCCC(=O)N 62a_100009817443_100000730899 [0,2,0,0,0,0|1,0,0]=3 16597 B14R0.394 COCCCCSCCCCCC(C)C 62a_100000210682_100000730899 [0,2,0,0,0,0|2,0,0]=4 16598 B14R0.394 COCCCCSCCCCCC(C)C 62a_100000730899_100000210682 [0,2,0,0,0,0|2,0,0]=4 16599 B14R0.394 COCCCCSCCCCOC(=O)C 62a_100000033659_100000730899 [0,2,0,0,0,0|2,0,0]=4 16600 B14R0.394 COCCCCSCCCCOC(=O)C 62a_100000730899_100000033659 [0,2,0,0,0,0|2,0,0]=4 16601 B14R0.394 COCCCCSCCCCSC(=O)C 62a_100000730899_200010402107 [0,2,0,0,0,0|2,0,0]=4 16602 B14R0.394 COCCCCSCCCCSC(=O)C 62a_200010402107_100000730899 [0,2,0,0,0,0|2,0,0]=4 16603 B14R0.394 COCCCNCCCCCCC(C)C 2230a_100000211014_100000740836 [0,2,0,0,0,0|2,0,0]=4 16604 B14R0.394 COCCCNCCCCCCC(C)C 34a_100000211014_100000740836 [0,2,0,0,0,0|2,0,0]=4 16605 B14R0.394 COCCCNCCCCCNC(=O)C 2230a_200012022750_100000740836 [0,2,0,0,0,0|2,0,0]=4 16606 B14R0.394 COCCCNCCCCCNC(=O)C 34a_200012022750_100000740836 [0,2,0,0,0,0|2,0,0]=4 16607 B14R0.394 COCCCNCCCCCOC(=O)C 34a_100150723488_100000033007 [0,2,0,0,0,0|2,0,0]=4 16608 B14R0.394 COCCCOCCCCCOC(=O)C 34a_100000740835_100000033007 [0,2,0,0,0,0|2,0,0]=4 16609 B14R0.394 COCCCOCCCOCCC(=O)C 7a_200011215475_100000053229 [0,2,0,0,0,0|2,0,0]=4 16610 B14R0.394 COCCCOCCCOCCC(=O)N 34a_200011215475_100000731001 [0,2,0,0,0,0|2,0,0]=4 16611 B14R0.394 COCCCOCCCOCCC(=O)N 7a_200011215475_100000744528 [0,2,0,0,0,0|2,0,0]=4 16612 B14R0.394 COCCCSCCCCCOC(=O)C 62a_100000033007_100000709357 [0,2,0,0,0,0|2,0,0]=4 16613 B14R0.394 COCCCSCCCCCOC(=O)C 62a_100000709357_100000033007 [0,2,0,0,0,0|2,0,0]=4 16614 B14R0.394 COCCNCCCCCCNC(=O)C 2230a_200011996284_100011201679 [0,2,0,0,0,0|2,0,0]=4 16615 B14R0.394 COCCNCCCCCCNC(=O)C 34a_200011996284_100011201679 [0,2,0,0,0,0|2,0,0]=4 16616 B14R0.394 COCCOCCCCCCCC(C)C 34a_200000210741_100011201679 [0,2,0,0,0,0|2,0,0]=4 16617 B14R0.394 COCCOCCCCCCCC(C)C 7a_200000210741_100000233755 [0,2,0,0,0,0|2,0,0]=4 16618 B14R0.394 COCCOCCCNCCCC(=O)C 34a_100000206027_100000685027 [0,2,0,0,0,0|2,0,0]=4 16619 B14R0.394 COCCOCCCNCCCC(=O)N 34a_100000206027_100102525003 [0,2,0,0,0,0|2,0,0]=4 16620 B14R0.394 COCCOCCCNCCCC(=O)N 34a_100000739312_100011216529 [0,2,0,0,0,0|2,0,0]=4 16621 B14R0.394 COCCOCCCOCCCC(=O)C 34a_100000759063_100011216529 [0,2,0,0,0,0|2,0,0]=4 16622 B14R0.394 COCCOCCCOCCCC(=O)C 7a_100000759063_100011216529 [0,2,0,0,0,0|2,0,0]=4 16623 B14R0.394 COCCOCCCSCCCC(=O)C 62a_100011215641_100011216529 [0,2,0,0,0,0|2,0,0]=4 16624 B14R0.394 COCCOCCCSCCCC(=O)C 62a_100011216529_100011215641 [0,2,0,0,0,0|2,0,0]=4 16625 B14R0.394 COCCOCCCSCCCC(=O)N 62a_100011216529_100102525003 [0,2,0,0,0,0|2,0,0]=4 16626 B14R0.394 COCCOCCCSCCCC(=O)N 62a_100102525003_100011216529 [0,2,0,0,0,0|2,0,0]=4 16627 B14R0.394 COCCOCCNCCCCC(=O)C 34a_100000745349_100009817362 [0,2,0,0,0,0|2,0,0]=4 16628 B14R0.394 COCCOCCNCCCCC(=O)N 34a_100000696515_100000695917 [0,2,0,0,0,0|2,0,0]=4 16629 B14R0.394 COCCOCCOCCCCC(=O)C 34a_100011215163_100009817362 [0,2,0,0,0,0|2,0,0]=4 16630 B14R0.394 COCCOCCOCCCCC(=O)C 7a_100011215163_100000735457 [0,2,0,0,0,0|2,0,0]=4 16631 B14R0.394 COCCOCCOCCCCC(=O)N 34a_100012022536_100000695917 [0,2,0,0,0,0|2,0,0]=4 16632 B14R0.394 COCCOCCOCCCCC(=O)N 7a_100012022536_100000695917 [0,2,0,0,0,0|2,0,0]=4 16633 B14R0.394 COCCOCCSCCCCC(=O)C 62a_100000695917_100000735457 [0,2,0,0,0,0|2,0,0]=4 16634 B14R0.394 COCCOCCSCCCCC(=O)C 62a_100000735457_100000695917 [0,2,0,0,0,0|2,0,0]=4 16635 B14R0.394 COCCOCSCCCCCC(=O)N 62a_100000231047_100009817443 [0,2,0,0,0,0|2,0,0]=4 16636 B14R0.394 COCCOCSCCCCCC(=O)N 62a_100009817443_100000231047 [0,2,0,0,0,0|2,0,0]=4 16637 B14R0.394 CS(=O)CCCNCCCCCCCO 2230a_200000753449_100000760002 [0,2,0,0,0,0|2,0,0]=4 16638 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200000210301_200010167045 [0,2,0,0,0,0|0,0,0]=2 16639 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200010167045_200000210301 [0,2,0,0,0,0|0,0,0]=2 16640 B14R0.394 CSCCCCOCCCCCC(=O)N 34a_100011217163_100009817443 [0,2,0,0,0,0|1,0,0]=3 16641 B14R0.394 CSCCCCOCCCCCC(=O)N 7a_100011217163_100009817443 [0,2,0,0,0,0|1,0,0]=3 16642 B14R0.394 CSCCCCOCCCCCC(C)C 34a_100011217163_100000210682 [0,2,0,0,0,0|2,0,0]=4 16643 B14R0.394 CSCCCCOCCCCCC(C)C 7a_100011217163_100000210682 [0,2,0,0,0,0|2,0,0]=4 16644 B14R0.394 CSCCCCOCCCCOC(=O)C 34a_100011217163_100000033659 [0,2,0,0,0,0|2,0,0]=4 16645 B14R0.394 CSCCCCOCCCCOC(=O)C 7a_100011217163_100000033659 [0,2,0,0,0,0|2,0,0]=4 16646 B14R0.394 CSCCCCOCCCCSC(=O)C 34a_100011217163_200010402107 [0,2,0,0,0,0|2,0,0]=4 16647 B14R0.394 CSCCCCOCCCCSC(=O)C 7a_100011217163_200010402107 [0,2,0,0,0,0|2,0,0]=4 16648 B14R0.394 CSCCCNCCCCCOC(=O)C 2230a_100000749238_100009813381 [0,2,0,0,0,0|2,0,0]=4 16649 B14R0.394 CSCCCOCCCCCOC(=O)C 34a_100000690336_100000033007 [0,2,0,0,0,0|2,0,0]=4 16650 B14R0.394 CSCCCOCCCCCOC(=O)C 7a_100000690336_100000033007 [0,2,0,0,0,0|2,0,0]=4 16651 B14R0.394 CSCCNCCCCCCNC(=O)C 2230a_200011996284_100000751147 [0,2,0,0,0,0|2,0,0]=4 16652 B14R0.394 CSCCNCCCCCCNC(=O)C 34a_200011996284_100000212216 [0,2,0,0,0,0|2,0,0]=4 16653 B14R0.394 CSCCOCCCCCCCC(C)C 34a_200000210741_100000212216 [0,2,0,0,0,0|2,0,0]=4 16654 B14R0.394 CSCCOCCCCCCCC(C)C 7a_200000210741_100000212216 [0,2,0,0,0,0|2,0,0]=4 16655 B14R0.394 C[C@@H](Cl)COCCCCCCCCCO 34a_100016084084_100009813782 [0,2,0,0,0,0|0,0,2]=4 16656 B14R0.394 C[C@@H](N)CCOCCCCCCCCO 34a_100000706166_100000033203 [0,2,0,0,0,0|0,0,2]=4 16657 B14R0.394 C[C@@H](N)COCCCCCCCCCO 34a_100000737577_100009813782 [0,2,0,0,0,0|0,0,2]=4 16658 B14R0.394 C[C@@H](O)CNCCCCCCCCCO 2230a_100000078944_100009817552 [0,2,0,0,0,0|0,0,2]=4 16659 B14R0.394 C[C@@H](O)CNCCCCCCCCCO 34a_100000078944_100009817552 [0,2,0,0,0,0|0,0,2]=4 16660 B14R0.394 C[C@@H](O)COCCCCCCCCCBr 34a_100009813782_100009817552 [0,2,0,0,0,0|1,0,1]=4 16661 B14R0.394 C[C@@H](O)COCCCCCCCCCBr 7a_100009813782_100009817552 [0,2,0,0,0,0|1,0,1]=4 16662 B14R0.394 C[C@@H](O)COCCCCCCCCCCl 34a_100009868337_100009817552 [0,2,0,0,0,0|1,0,1]=4 16663 B14R0.394 C[C@@H](O)COCCCCCCCCCCl 7a_100009868337_100009817552 [0,2,0,0,0,0|1,0,1]=4 16664 B14R0.394 C[C@@H](O)COCCCCCCCCCN 34a_100000078944_100009817552 [0,2,0,0,0,0|1,0,1]=4 16665 B14R0.394 C[C@@H](O)CSCCCCCCCCCO 62a_100009813782_100009817552 [0,2,0,0,0,0|0,0,2]=4 16666 B14R0.394 C[C@@H](O)CSCCCCCCCCCO 62a_100009817552_100009813782 [0,2,0,0,0,0|0,0,2]=4 16667 B14R0.394 N#CCCCCCCSCCCC(=O)N 62a_100009813337_100102525003 [0,2,0,0,0,0|1,0,1]=4 16668 B14R0.394 N#CCCCCCCSCCCC(=O)N 62a_100102525003_100009813337 [0,2,0,0,0,0|1,0,1]=4 16669 B14R0.394 N#CCCCCCOCCCCC(=O)N 7a_100012022536_100009813376 [0,2,0,0,0,0|1,0,1]=4 16670 B14R0.394 N#CCCCCOCCCCCC(=O)N 7a_100000123541_100000211819 [0,2,0,0,0,0|1,0,1]=4 16671 B14R0.394 N#CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000211819 [0,2,0,0,0,0|1,0,1]=4 16672 B14R0.394 N#CCCCCSCCCCCC(=O)N 62a_100009817443_100000211819 [0,2,0,0,0,0|1,0,1]=4 16673 B14R0.394 N#CCCCCSCCCCCC(=O)N 62a_100011219923_100009817443 [0,2,0,0,0,0|1,0,1]=4 16674 B14R0.394 NC(=O)CCCCCNCCCCCO 2230a_100000762737_100009817443 [0,2,0,0,0,0|1,0,0]=3 16675 B14R0.394 NC(=O)CCCCCNCCCCCO 34a_100000762737_100009817443 [0,2,0,0,0,0|1,0,0]=3 16676 B14R0.394 NC(=O)CCCCCNCCOCCO 2230a_100000211614_100009817443 [0,2,0,0,0,0|2,0,0]=4 16677 B14R0.394 NC(=O)CCCCCNCCOCCO 34a_100000211614_100009817443 [0,2,0,0,0,0|2,0,0]=4 16678 B14R0.394 NC(=O)CCCCCNCCSCCO 2230a_100011219999_100009817443 [0,2,0,0,0,0|2,0,0]=4 16679 B14R0.394 NC(=O)CCCCCOCCCCC=O 7a_100000123541_100000139335 [0,2,0,0,0,0|1,0,1]=4 16680 B14R0.394 NC(=O)CCCCCOCCCCCBr 34a_100000746331_100009817443 [0,2,0,0,0,0|1,0,0]=3 16681 B14R0.394 NC(=O)CCCCCOCCCCCBr 7a_100000746331_100009817443 [0,2,0,0,0,0|1,0,0]=3 16682 B14R0.394 NC(=O)CCCCCOCCCCCCl 34a_100000746330_100009817443 [0,2,0,0,0,0|1,0,0]=3 16683 B14R0.394 NC(=O)CCCCCOCCCCCCl 7a_100000746330_100009817443 [0,2,0,0,0,0|1,0,0]=3 16684 B14R0.394 NC(=O)CCCCCOCCCCCF 34a_100000123541_100000729378 [0,2,0,0,0,0|1,0,0]=3 16685 B14R0.394 NC(=O)CCCCCOCCCCCF 7a_100000123541_100000729378 [0,2,0,0,0,0|1,0,0]=3 16686 B14R0.394 NC(=O)CCCCCOCCCCCI 34a_200012148887_100009817443 [0,2,0,0,0,0|1,0,0]=3 16687 B14R0.394 NC(=O)CCCCCOCCCCCI 7a_200012148887_100009817443 [0,2,0,0,0,0|1,0,0]=3 16688 B14R0.394 NC(=O)CCCCCOCCCCCO 34a_100000123541_100000746330 [0,2,0,0,0,0|1,0,0]=3 16689 B14R0.394 NC(=O)CCCCCOCCCCCO 7a_100000123541_100000746330 [0,2,0,0,0,0|1,0,0]=3 16690 B14R0.394 NC(=O)CCCCCOCCOCCBr 34a_100000692535_100009817443 [0,2,0,0,0,0|2,0,0]=4 16691 B14R0.394 NC(=O)CCCCCOCCOCCBr 7a_100000692535_100009817443 [0,2,0,0,0,0|2,0,0]=4 16692 B14R0.394 NC(=O)CCCCCOCCOCCCl 34a_100011215305_100009817443 [0,2,0,0,0,0|2,0,0]=4 16693 B14R0.394 NC(=O)CCCCCOCCOCCCl 7a_100011215305_100009817443 [0,2,0,0,0,0|2,0,0]=4 16694 B14R0.394 NC(=O)CCCCCOCCOCCF 34a_200015357709_100009817443 [0,2,0,0,0,0|2,0,0]=4 16695 B14R0.394 NC(=O)CCCCCOCCOCCF 7a_200015357709_100009817443 [0,2,0,0,0,0|2,0,0]=4 16696 B14R0.394 NC(=O)CCCCCOCCOCCI 34a_100012149058_100009817443 [0,2,0,0,0,0|2,0,0]=4 16697 B14R0.394 NC(=O)CCCCCOCCOCCI 7a_100012149058_100009817443 [0,2,0,0,0,0|2,0,0]=4 16698 B14R0.394 NC(=O)CCCCCOCCOCCO 34a_100000123541_100000692535 [0,2,0,0,0,0|2,0,0]=4 16699 B14R0.394 NC(=O)CCCCCOCCOCCO 7a_100000123541_100011215305 [0,2,0,0,0,0|2,0,0]=4 16700 B14R0.394 NC(=O)CCCCCSCCCCC=O 62a_100000139335_100009817443 [0,2,0,0,0,0|1,0,1]=4 16701 B14R0.394 NC(=O)CCCCCSCCCCC=O 62a_100009817443_100000139335 [0,2,0,0,0,0|1,0,1]=4 16702 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100000729378_100009817443 [0,2,0,0,0,0|1,0,0]=3 16703 B14R0.394 NC(=O)CCCCCSCCCCCF 62a_100009817443_100000729378 [0,2,0,0,0,0|1,0,0]=3 16704 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100000746330_100009817443 [0,2,0,0,0,0|1,0,0]=3 16705 B14R0.394 NC(=O)CCCCCSCCCCCO 62a_100009817443_100000746330 [0,2,0,0,0,0|1,0,0]=3 16706 B14R0.394 NC(=O)CCCCCSCCOCCO 62a_100009817443_100011215305 [0,2,0,0,0,0|2,0,0]=4 16707 B14R0.394 NC(=O)CCCCCSCCOCCO 62a_100011215305_100009817443 [0,2,0,0,0,0|2,0,0]=4 16708 B14R0.394 NC(=O)CCCCNCCCCCCF 34a_100000696515_100015922095 [0,2,0,0,0,0|1,0,0]=3 16709 B14R0.394 NC(=O)CCCCNCCCCCCO 34a_100000696515_100000766143 [0,2,0,0,0,0|1,0,0]=3 16710 B14R0.394 NC(=O)CCCCOCCCCCC=O 7a_100012022536_100000139337 [0,2,0,0,0,0|1,0,1]=4 16711 B14R0.394 NC(=O)CCCCOCCCCCCF 34a_100012022536_100015922095 [0,2,0,0,0,0|1,0,0]=3 16712 B14R0.394 NC(=O)CCCCOCCCCCCF 7a_100012022536_100015922095 [0,2,0,0,0,0|1,0,0]=3 16713 B14R0.394 NC(=O)CCCCOCCCCCCO 34a_100012022536_100000766143 [0,2,0,0,0,0|1,0,0]=3 16714 B14R0.394 NC(=O)CCCCOCCCCCCO 7a_100012022536_100000766143 [0,2,0,0,0,0|1,0,0]=3 16715 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100000739312_100000760002 [0,2,0,0,0,0|1,0,0]=3 16716 B14R0.394 NC(=O)CCCNCCCCCCCO 34a_100011996573_100102525003 [0,2,0,0,0,0|1,0,0]=3 16717 B14R0.394 NC(=O)CCCNCCCOCCCO 34a_100011310245_100102525003 [0,2,0,0,0,0|2,0,0]=4 16718 B14R0.394 NC(=O)CCCOCCCCCCCBr 34a_100000760002_100102525003 [0,2,0,0,0,0|1,0,0]=3 16719 B14R0.394 NC(=O)CCCOCCCCCCCBr 7a_100000760002_100102525003 [0,2,0,0,0,0|1,0,0]=3 16720 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100000760002_100102525003 [0,2,0,0,0,0|1,0,0]=3 16721 B14R0.394 NC(=O)CCCSCCCCCCCO 62a_100102525003_100000760002 [0,2,0,0,0,0|1,0,0]=3 16722 B14R0.394 NC(=O)CCNCCCCCCCCO 2230a_102515433106_100000744528 [0,2,0,0,0,0|1,0,0]=3 16723 B14R0.394 NC(=O)CCNCCCCCCCCO 34a_102515433106_100000731001 [0,2,0,0,0,0|1,0,0]=3 16724 B14R0.394 NC(=O)CCOCCCCCCCCBr 34a_100009813846_100000731001 [0,2,0,0,0,0|1,0,0]=3 16725 B14R0.394 NC(=O)CCOCCCCCCCCBr 7a_100009813846_100000744528 [0,2,0,0,0,0|1,0,0]=3 16726 B14R0.394 NC(=O)CCOCCCCCCCCCl 34a_100000033203_100000731001 [0,2,0,0,0,0|1,0,0]=3 16727 B14R0.394 NC(=O)CCOCCCCCCCCCl 7a_100000033203_100000744528 [0,2,0,0,0,0|1,0,0]=3 16728 B14R0.394 NC(=O)CCOCCCCCCCCO 34a_100000757172_100000033203 [0,2,0,0,0,0|1,0,0]=3 16729 B14R0.394 NC(=O)CCOCCCCCCCCO 7a_100000757172_100000033203 [0,2,0,0,0,0|1,0,0]=3 16730 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000033203_100000744528 [0,2,0,0,0,0|1,0,0]=3 16731 B14R0.394 NC(=O)CCSCCCCCCCCO 62a_100000744528_100000033203 [0,2,0,0,0,0|1,0,0]=3 16732 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000078944_100000747473 [0,2,0,0,0,0|1,0,0]=3 16733 B14R0.394 NC(=O)CNCCCCCCCCCO 2230a_100000711301_100009813782 [0,2,0,0,0,0|1,0,0]=3 16734 B14R0.394 NC(=O)CNCCCCCCCCCO 34a_100000078944_100000187820 [0,2,0,0,0,0|1,0,0]=3 16735 B14R0.394 NC(=O)COCCCCCCCCCBr 34a_100009813782_100000187820 [0,2,0,0,0,0|1,0,0]=3 16736 B14R0.394 NC(=O)COCCCCCCCCCBr 7a_100009813782_100000187820 [0,2,0,0,0,0|1,0,0]=3 16737 B14R0.394 NC(=O)COCCCCCCCCCCl 34a_100009868337_100000187820 [0,2,0,0,0,0|1,0,0]=3 16738 B14R0.394 NC(=O)COCCCCCCCCCCl 7a_100009868337_100000187820 [0,2,0,0,0,0|1,0,0]=3 16739 B14R0.394 NC(=O)COCCNCCCCCCO 2230a_100000686447_100000076697 [0,2,0,0,0,0|2,0,0]=4 16740 B14R0.394 NC(=O)COCCNCCCCCCO 34a_100000686447_100000076697 [0,2,0,0,0,0|2,0,0]=4 16741 B14R0.394 NC(=O)COCCOCCCCCCBr 34a_100011215345_100000076697 [0,2,0,0,0,0|2,0,0]=4 16742 B14R0.394 NC(=O)COCCOCCCCCCBr 7a_100011215345_100000076697 [0,2,0,0,0,0|2,0,0]=4 16743 B14R0.394 NC(=O)COCCOCCCCCCCl 34a_100000766143_100000076697 [0,2,0,0,0,0|2,0,0]=4 16744 B14R0.394 NC(=O)COCCOCCCCCCCl 7a_100000766143_100000076697 [0,2,0,0,0,0|2,0,0]=4 16745 B14R0.394 NC(=O)COCCOCCCCCCF 34a_100000732779_100000076697 [0,2,0,0,0,0|2,0,0]=4 16746 B14R0.394 NC(=O)COCCOCCCCCCF 7a_100000732779_100000076697 [0,2,0,0,0,0|2,0,0]=4 16747 B14R0.394 NC(=O)COCCSCCCCCCF 62a_100000076697_100015922095 [0,2,0,0,0,0|2,0,0]=4 16748 B14R0.394 NC(=O)COCCSCCCCCCF 62a_100015922095_100000076697 [0,2,0,0,0,0|2,0,0]=4 16749 B14R0.394 NC(=O)COCCSCCCCCCO 62a_100000076697_100000766143 [0,2,0,0,0,0|2,0,0]=4 16750 B14R0.394 NC(=O)COCCSCCCCCCO 62a_100000766143_100000076697 [0,2,0,0,0,0|2,0,0]=4 16751 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100000747473_100009813782 [0,2,0,0,0,0|1,0,0]=3 16752 B14R0.394 NC(=O)CSCCCCCCCCCO 62a_100009813782_100000747473 [0,2,0,0,0,0|1,0,0]=3 16753 B14R0.394 NC(=O)NCCNCCCCCCCO 2230a_100011996573_200000034859 [0,2,0,0,0,0|2,0,0]=4 16754 B14R0.394 NC(=O)NCCNCCCCCCCO 34a_100020590234_100000760002 [0,2,0,0,0,0|2,0,0]=4 16755 B14R0.394 NC(=O)NCCOCCCCCCCBr 7a_100000760002_200000034859 [0,2,0,0,0,0|2,0,0]=4 16756 B14R0.394 NC(=O)NCCOCCCCCCCO 34a_100000181757_100000760002 [0,2,0,0,0,0|2,0,0]=4 16757 B14R0.394 NC(=O)NCCSCCCCCCCO 62a_100000760002_200000034859 [0,2,0,0,0,0|2,0,0]=4 16758 B14R0.394 NC(=O)NCCSCCCCCCCO 62a_200000034859_100000760002 [0,2,0,0,0,0|2,0,0]=4 16759 B14R0.394 NC(=O)OCCNCCCCCCCO 34a_100011996573_200011214921 [0,2,0,0,0,0|2,0,0]=4 16760 B14R0.394 NC(=O)OCCOCCCCCCCBr 34a_100000760002_200011214921 [0,2,0,0,0,0|2,0,0]=4 16761 B14R0.394 NC(=O)OCCOCCCCCCCBr 7a_100000760002_200011214921 [0,2,0,0,0,0|2,0,0]=4 16762 B14R0.394 NC(=O)OCCOCCCCCCCO 7a_100000766696_100000760002 [0,2,0,0,0,0|2,0,0]=4 16763 B14R0.394 NC(=O)OCCSCCCCCCCO 62a_100000760002_200011214921 [0,2,0,0,0,0|2,0,0]=4 16764 B14R0.394 NC(=O)OCCSCCCCCCCO 62a_200011214921_100000760002 [0,2,0,0,0,0|2,0,0]=4 16765 B14R0.394 NCCCCCCCCCOCC(=O)N 34a_100000078944_100000187820 [0,2,0,0,0,0|1,0,0]=3 16766 B14R0.394 NCCCCCCCCCOCC(=O)[O-] 34a_100000078944_100020667443 [0,2,0,0,0,0|1,0,0]=3 16767 B14R0.394 NCCCCCCCCCOC[N+](=O)[O-] 34a_100000078944_100000761209 [0,2,0,0,0,0|2,0,0]=4 16768 B14R0.394 NCCCCCCCCOCCC(=O)N 34a_102515433106_100000731001 [0,2,0,0,0,0|1,0,0]=3 16769 B14R0.394 NCCCCCCCOCCCC(=O)N 34a_100011996573_100102525003 [0,2,0,0,0,0|1,0,0]=3 16770 B14R0.394 NCCCCCCCOCCOC(=O)N 34a_100011996573_200011214921 [0,2,0,0,0,0|2,0,0]=4 16771 B14R0.394 NCCCCCCOCCOCC(=O)N 34a_100000686447_100000076697 [0,2,0,0,0,0|2,0,0]=4 16772 B14R0.394 NCCCCCOCCCCCC(=O)N 34a_100000762737_100009817443 [0,2,0,0,0,0|1,0,0]=3 16773 B14R0.394 NCCCOCCCOCCCC(=O)N 34a_100011310245_100102525003 [0,2,0,0,0,0|2,0,0]=4 16774 B14R0.394 NCCNCCCCCOCCC(=O)N 34a_103619048469_100000731001 [0,2,0,0,0,0|2,0,0]=4 16775 B14R0.394 NCCOCCOCCCCCC(=O)N 34a_100000211614_100009817443 [0,2,0,0,0,0|2,0,0]=4 16776 B14R0.394 O=C(O)CNCCCCCCCCCO 269956a_100016091260_100009813782 [0,2,0,0,0,0|1,0,0]=3 16777 B14R0.394 O=C(O)COCCNCCCCCCF 269956a_100000700818_100015922095 [0,2,0,0,0,0|2,0,0]=4 16778 B14R0.394 O=C(O)COCCNCCCCCCO 269956a_100000700818_100000766143 [0,2,0,0,0,0|2,0,0]=4 16779 B14R0.394 O=C(O)CONCCCCCCCCO 269956a_100000106656_100000033203 [0,2,0,0,0,0|2,0,0]=4 16780 B14R0.394 O=C([O-])CCCCCOCCCCCF 7a_100102619762_100000729378 [0,2,0,0,0,0|1,0,0]=3 16781 B14R0.394 O=C([O-])CCCCCOCCCCCO 7a_100102619762_100000746330 [0,2,0,0,0,0|1,0,0]=3 16782 B14R0.394 O=C([O-])CCCCCOCCOCCO 7a_100102619762_100011215305 [0,2,0,0,0,0|2,0,0]=4 16783 B14R0.394 O=C([O-])CNCCCCCCCCCO 34a_100000078944_100020667443 [0,2,0,0,0,0|1,0,0]=3 16784 B14R0.394 O=C([O-])COCCCCCCCCCBr 34a_100009813782_100020667443 [0,2,0,0,0,0|1,0,0]=3 16785 B14R0.394 O=C([O-])COCCCCCCCCCCl 34a_100009868337_100020667443 [0,2,0,0,0,0|1,0,0]=3 16786 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100009813782_100020667443 [0,2,0,0,0,0|1,0,0]=3 16787 B14R0.394 O=C([O-])CSCCCCCCCCCO 62a_100020667443_100009813782 [0,2,0,0,0,0|1,0,0]=3 16788 B14R0.394 O=CCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000139337 [0,2,0,0,0,0|2,0,0]=4 16789 B14R0.394 O=CCCCCCOCCOCC(F)F 7a_100000704375_100000139337 [0,2,0,0,0,0|2,0,0]=4 16790 B14R0.394 O=CCCCCCSCCCCB(O)O 62a_100000139337_200009817182 [0,2,0,0,0,0|2,0,0]=4 16791 B14R0.394 O=CCCCCCSCCCCB(O)O 62a_200009817182_100000139337 [0,2,0,0,0,0|2,0,0]=4 16792 B14R0.394 O=CCCCCCSCCOCC(F)F 62a_100000139337_200012177212 [0,2,0,0,0,0|2,0,0]=4 16793 B14R0.394 O=CCCCCCSCCOCC(F)F 62a_200012177212_100000139337 [0,2,0,0,0,0|2,0,0]=4 16794 B14R0.394 O=CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000139335 [0,2,0,0,0,0|1,0,1]=4 16795 B14R0.394 O=CCCCCSCCCCCB(O)O 62a_100000139335_200009817188 [0,2,0,0,0,0|2,0,0]=4 16796 B14R0.394 O=CCCCCSCCCCCB(O)O 62a_200009817188_100000139335 [0,2,0,0,0,0|2,0,0]=4 16797 B14R0.394 O=CCCCSCCCCCCB(O)O 62a_100009817187_200011292268 [0,2,0,0,0,0|2,0,0]=4 16798 B14R0.394 O=CCCCSCCCCCCB(O)O 62a_200011292268_100009817187 [0,2,0,0,0,0|2,0,0]=4 16799 B14R0.394 O=[N+]([O-])CCCCOCCCCCCF 34a_200015379883_100015922095 [0,2,0,0,0,0|2,0,0]=4 16800 B14R0.394 O=[N+]([O-])CCCCOCCCCCCF 7a_200015379883_100015922095 [0,2,0,0,0,0|2,0,0]=4 16801 B14R0.394 O=[N+]([O-])CCCCOCCCCCCO 34a_200015379883_100000766143 [0,2,0,0,0,0|2,0,0]=4 16802 B14R0.394 O=[N+]([O-])CCCCOCCCCCCO 7a_200015379883_100000766143 [0,2,0,0,0,0|2,0,0]=4 16803 B14R0.394 O=[N+]([O-])CCCOCCCCCCCO 34a_200000037920_100000760002 [0,2,0,0,0,0|2,0,0]=4 16804 B14R0.394 O=[N+]([O-])CNCCCCCCCCCO 34a_100000078944_100000761209 [0,2,0,0,0,0|2,0,0]=4 16805 B14R0.394 O=[N+]([O-])COCCCCCCCCCBr 34a_100009813782_100000761209 [0,2,0,0,0,0|2,0,0]=4 16806 B14R0.394 O=[N+]([O-])COCCCCCCCCCCl 34a_100009868337_100000761209 [0,2,0,0,0,0|2,0,0]=4 16807 B14R0.394 O=[N+]([O-])CSCCCCCCCCCO 62a_100009813782_100000761209 [0,2,0,0,0,0|2,0,0]=4 16808 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200010167045_200025704644 [0,2,0,0,0,0|0,0,0]=2 16809 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200025704644_200010167045 [0,2,0,0,0,0|0,0,0]=2 16810 B14R0.2224 C=C(C)COCCC(C)CCCCCC 34a_200011024964_100000748629 [0,2,0,0,0,0|2,0,0]=4 16811 B14R0.2224 C=C(C)COCCC(C)CCCCCC 7a_200011024964_100000748629 [0,2,0,0,0,0|2,0,0]=4 16812 B14R0.2224 C=C(F)COCCC(C)CCCCCC 34a_200011024964_100009893438 [0,2,0,0,0,0|2,0,0]=4 16813 B14R0.2224 C=C(F)COCCC(C)CCCCCC 7a_200011024964_100000042424 [0,2,0,0,0,0|2,0,0]=4 16814 B14R0.2224 C=CCCCCC(=O)CCCCC(C)C 1458a_100011215552_100011216152 [0,2,0,0,0,0|1,0,1]=4 16815 B14R0.2224 C=CCCCCC(=O)CCCCC(C)C 1458a_100011933920_100011215482 [0,2,0,0,0,0|1,0,1]=4 16816 B14R0.2224 C=CCCCCN(C)CCCCC(C)C 2230a_100012000471_100011216152 [0,2,0,0,0,0|2,0,0]=4 16817 B14R0.2224 C=CCCCCN(C)CCCCC(C)C 269982a_100012000471_100011216152 [0,2,0,0,0,0|2,0,0]=4 16818 B14R0.2224 CC(=O)CCCCC(=O)CCCCCO 1458a_100102619762_100000735457 [0,2,0,0,0,0|1,0,1]=4 16819 B14R0.2224 CC(=O)CCCCN(C)CCCCCO 269982a_100000722520_100000735457 [0,2,0,0,0,0|2,0,0]=4 16820 B14R0.2224 CCCCCCC(=O)CCCCC(=O)C 1458a_100102632555_100000735457 [0,2,0,0,0,0|0,0,1]=3 16821 B14R0.2224 CCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210757 [0,2,0,0,0,0|1,0,1]=4 16822 B14R0.2224 CCCCCCC(=O)CCCOC(=O)C 1458a_100102632555_100000042594 [0,2,0,0,0,0|1,0,1]=4 16823 B14R0.2224 CCCCCCC(=O)CCCSC(=O)C 1458a_100102632555_100000038929 [0,2,0,0,0,0|1,0,1]=4 16824 B14R0.2224 CCCCCCC(=O)CCOCC(=O)N 1458a_100102632555_100000076697 [0,2,0,0,0,0|1,0,1]=4 16825 B14R0.2224 CCCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210757 [0,2,0,0,0,0|1,0,1]=4 16826 B14R0.2224 CCCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100102632555 [0,2,0,0,0,0|1,0,1]=4 16827 B14R0.2224 CCCCCCC(=O)NCCCC(=O)N 527a_100000739312_100102632555 [0,2,0,0,0,0|1,0,1]=4 16828 B14R0.2224 CCCCCCC(C)CCOCC(=O)N 34a_200011024964_100000187820 [0,2,0,0,0,0|1,0,0]=3 16829 B14R0.2224 CCCCCCC(C)CCOCC(=O)N 7a_200011024964_100000187820 [0,2,0,0,0,0|1,0,0]=3 16830 B14R0.2224 CCCCCCC(C)CCOCC(=O)[O-] 34a_200011024964_100020667443 [0,2,0,0,0,0|1,0,0]=3 16831 B14R0.2224 CCCCCCC(C)CCOC[N+](=O)[O-] 34a_200011024964_100000761209 [0,2,0,0,0,0|2,0,0]=4 16832 B14R0.2224 CCCCCCC(C)NCCCC(=O)C 34a_100000210919_100000685027 [0,2,0,0,0,0|1,0,0]=3 16833 B14R0.2224 CCCCCCC(C)NCCCC(=O)N 34a_100000210919_100102525003 [0,2,0,0,0,0|1,0,0]=3 16834 B14R0.2224 CCCCCCC(C)NCCCC(=O)N 34a_100000739312_100011215978 [0,2,0,0,0,0|1,0,0]=3 16835 B14R0.2224 CCCCCCC(C)NCCCS(=O)C 2230a_200000753449_100011215978 [0,2,0,0,0,0|2,0,0]=4 16836 B14R0.2224 CCCCCCC(C)NCCCS(=O)C 270004a_200000753449_100000210826 [0,2,0,0,0,0|2,0,0]=4 16837 B14R0.2224 CCCCCCC(C)NCCNC(=O)C 2230a_100000209853_100011215978 [0,2,0,0,0,0|2,0,0]=4 16838 B14R0.2224 CCCCCCC(C)NCCNC(=O)C 2230a_100000210919_100000189650 [0,2,0,0,0,0|2,0,0]=4 16839 B14R0.2224 CCCCCCC(C)NCCNC(=O)N 2230a_100000210919_200000034859 [0,2,0,0,0,0|2,0,0]=4 16840 B14R0.2224 CCCCCCC(C)NCCNC(=O)N 34a_100020590234_100011215978 [0,2,0,0,0,0|2,0,0]=4 16841 B14R0.2224 CCCCCCC(C)NCCOC(=O)C 34a_100000210919_100009814007 [0,2,0,0,0,0|2,0,0]=4 16842 B14R0.2224 CCCCCCC(C)NCCOC(=O)N 34a_100000210919_200011214921 [0,2,0,0,0,0|2,0,0]=4 16843 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 34a_100000210265_100000685027 [0,2,0,0,0,0|1,0,0]=3 16844 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 34a_100000759063_100011215978 [0,2,0,0,0,0|1,0,0]=3 16845 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 7a_100000210265_100011215641 [0,2,0,0,0,0|1,0,0]=3 16846 B14R0.2224 CCCCCCC(C)OCCCC(=O)C 7a_100000759063_100011215978 [0,2,0,0,0,0|1,0,0]=3 16847 B14R0.2224 CCCCCCC(C)OCCCC(=O)N 34a_100000210265_100102525003 [0,2,0,0,0,0|1,0,0]=3 16848 B14R0.2224 CCCCCCC(C)OCCCC(=O)N 7a_100000210265_100102525003 [0,2,0,0,0,0|1,0,0]=3 16849 B14R0.2224 CCCCCCC(C)OCCC[N+](=O)[O-] 34a_200000037920_100011215978 [0,2,0,0,0,0|2,0,0]=4 16850 B14R0.2224 CCCCCCC(C)OCCNC(=O)C 34a_100000158858_100011215978 [0,2,0,0,0,0|2,0,0]=4 16851 B14R0.2224 CCCCCCC(C)OCCNC(=O)C 7a_100000210265_100000189650 [0,2,0,0,0,0|2,0,0]=4 16852 B14R0.2224 CCCCCCC(C)OCCNC(=O)N 34a_100000181757_100011215978 [0,2,0,0,0,0|2,0,0]=4 16853 B14R0.2224 CCCCCCC(C)OCCNC(=O)N 7a_100000210265_200000034859 [0,2,0,0,0,0|2,0,0]=4 16854 B14R0.2224 CCCCCCC(C)OCCOC(=O)C 34a_100000210265_100009814007 [0,2,0,0,0,0|2,0,0]=4 16855 B14R0.2224 CCCCCCC(C)OCCOC(=O)C 7a_100000210265_100009814007 [0,2,0,0,0,0|2,0,0]=4 16856 B14R0.2224 CCCCCCC(C)OCCOC(=O)N 34a_100000210265_200011214921 [0,2,0,0,0,0|2,0,0]=4 16857 B14R0.2224 CCCCCCC(C)OCCOC(=O)N 7a_100000210265_200011214921 [0,2,0,0,0,0|2,0,0]=4 16858 B14R0.2224 CCCCCCC(C)OCCOC(=O)N 7a_100000766696_100011215978 [0,2,0,0,0,0|2,0,0]=4 16859 B14R0.2224 CCCCCCC(C)SCCCC(=O)C 62a_100011215641_100011215978 [0,2,0,0,0,0|1,0,0]=3 16860 B14R0.2224 CCCCCCC(C)SCCCC(=O)C 62a_100011215978_100011215641 [0,2,0,0,0,0|1,0,0]=3 16861 B14R0.2224 CCCCCCC(C)SCCCC(=O)N 62a_100011215978_100102525003 [0,2,0,0,0,0|1,0,0]=3 16862 B14R0.2224 CCCCCCC(C)SCCCC(=O)N 62a_100102525003_100011215978 [0,2,0,0,0,0|1,0,0]=3 16863 B14R0.2224 CCCCCCC(C)SCCNC(=O)C 62a_100000189650_100011215978 [0,2,0,0,0,0|2,0,0]=4 16864 B14R0.2224 CCCCCCC(C)SCCNC(=O)C 62a_100011215978_100000189650 [0,2,0,0,0,0|2,0,0]=4 16865 B14R0.2224 CCCCCCC(C)SCCNC(=O)N 62a_100011215978_200000034859 [0,2,0,0,0,0|2,0,0]=4 16866 B14R0.2224 CCCCCCC(C)SCCNC(=O)N 62a_200000034859_100011215978 [0,2,0,0,0,0|2,0,0]=4 16867 B14R0.2224 CCCCCCC(C)SCCOC(=O)C 62a_100009814007_100011215978 [0,2,0,0,0,0|2,0,0]=4 16868 B14R0.2224 CCCCCCC(C)SCCOC(=O)C 62a_100011215978_100009814007 [0,2,0,0,0,0|2,0,0]=4 16869 B14R0.2224 CCCCCCC(C)SCCOC(=O)N 62a_100011215978_200011214921 [0,2,0,0,0,0|2,0,0]=4 16870 B14R0.2224 CCCCCCC(C)SCCOC(=O)N 62a_200011214921_100011215978 [0,2,0,0,0,0|2,0,0]=4 16871 B14R0.2224 CCCCCCN(C)CCCCC(=O)C 269982a_106256046315_100000735457 [0,2,0,0,0,0|1,0,0]=3 16872 B14R0.2224 CCCCCCN(C)CCCOC(=O)C 269982a_106256046315_100000042594 [0,2,0,0,0,0|2,0,0]=4 16873 B14R0.2224 CCCCCCN(C)CCCSC(=O)C 2230a_106256046315_100000038929 [0,2,0,0,0,0|2,0,0]=4 16874 B14R0.2224 CCCCCCN(C)CCCSC(=O)C 269982a_106256046315_100000038929 [0,2,0,0,0,0|2,0,0]=4 16875 B14R0.2224 CCCCCCN(C)CCOCC(=O)N 2230a_106256046315_100000076697 [0,2,0,0,0,0|2,0,0]=4 16876 B14R0.2224 CCCCCCN(C)CCOCC(=O)N 269982a_106256046315_100000076697 [0,2,0,0,0,0|2,0,0]=4 16877 B14R0.2224 CCCCOCC(=O)CCCCC(=O)C 1458a_100000757543_100000735457 [0,2,0,0,0,0|1,0,1]=4 16878 B14R0.2224 CCCCOCC(C)OCCCC(=O)C 34a_100011217071_100000685027 [0,2,0,0,0,0|2,0,0]=4 16879 B14R0.2224 CCCCOCC(C)OCCCC(=O)C 7a_100011217071_100011215641 [0,2,0,0,0,0|2,0,0]=4 16880 B14R0.2224 CCCCOCC(C)OCCCC(=O)N 34a_100011217071_100102525003 [0,2,0,0,0,0|2,0,0]=4 16881 B14R0.2224 CCCCOCC(C)OCCCC(=O)N 7a_100011217071_100102525003 [0,2,0,0,0,0|2,0,0]=4 16882 B14R0.2224 CCCCSCC(=O)CCCCC(=O)C 1458a_100000191162_100000735457 [0,2,0,0,0,0|1,0,1]=4 16883 B14R0.80 C#CC(CCCC)OCCCCCC=C 34a_200011217967_100000700193 [0,2,0,0,0,0|2,0,0]=4 16884 B14R0.80 C#CC(CCCC)OCCCCCC=C 7a_200011217967_100000700193 [0,2,0,0,0,0|2,0,0]=4 16885 B14R0.80 C#CC(CCCC)OCCCCCC=O 7a_200011217967_100000139337 [0,2,0,0,0,0|1,0,0]=3 16886 B14R0.80 C=CC(CCCC)OCCCCCC=O 7a_200011215037_100000139337 [0,2,0,0,0,0|1,0,0]=3 16887 B14R0.80 C=CCCCCCCN(CC)CCCC 2230a_100000207695_100011215473 [0,2,0,0,0,0|2,0,0]=4 16888 B14R0.80 C=CCCCCCCN(CC)CCCC 269982a_100000207695_100011215473 [0,2,0,0,0,0|2,0,0]=4 16889 B14R0.80 C=CCCCCCN[C@H](CO)CCCC 2230a_100011934283_100000700193 [0,2,0,0,0,0|2,0,0]=4 16890 B14R0.80 C=CCCCCCN[C@H](CO)CCCC 34a_100011934283_100000700193 [0,2,0,0,0,0|2,0,0]=4 16891 B14R0.80 C=CCCCCCOC(C=C)CCCC 34a_200011215037_100000700193 [0,2,0,0,0,0|2,0,0]=4 16892 B14R0.80 C=CCCCCCOC(C=C)CCCC 7a_200011215037_100000700193 [0,2,0,0,0,0|2,0,0]=4 16893 B14R0.80 C=CCCCCCOC(CC)CCCC 34a_100011215227_100000700193 [0,2,0,0,0,0|2,0,0]=4 16894 B14R0.80 C=CCCCCCOC(CC)CCCC 34a_100011216702_200011216223 [0,2,0,0,0,0|2,0,0]=4 16895 B14R0.80 C=CCCCCCOC(CC)CCCC 7a_100011215227_100000700193 [0,2,0,0,0,0|2,0,0]=4 16896 B14R0.80 C=CCCCCCOC(CC)CCCC 7a_100011216702_200011216223 [0,2,0,0,0,0|2,0,0]=4 16897 B14R0.80 C=CCCCCCSC(CC)CCCC 62a_100000700193_200011216223 [0,2,0,0,0,0|2,0,0]=4 16898 B14R0.80 C=CCCCCCSC(CC)CCCC 62a_200011216223_100000700193 [0,2,0,0,0,0|2,0,0]=4 16899 B14R0.80 C=CCCCCNCC(CC)CCCC 2230a_100000209976_100011215482 [0,2,0,0,0,0|2,0,0]=4 16900 B14R0.80 C=CCCCCNCC(CC)CCCC 2230a_100000703577_100000211942 [0,2,0,0,0,0|2,0,0]=4 16901 B14R0.80 C=CCCCCNCC(CC)CCCC 269862a_100000703577_100011219736 [0,2,0,0,0,0|2,0,0]=4 16902 B14R0.80 C=CCCCCNCC(CC)CCCC 270004a_100000703577_100011219736 [0,2,0,0,0,0|2,0,0]=4 16903 B14R0.80 C=CCCCCNCC(CC)CCCC 34a_100000703577_100000211942 [0,2,0,0,0,0|2,0,0]=4 16904 B14R0.80 C=CCCCCOCC(CC)CCCC 34a_100000210273_100011215482 [0,2,0,0,0,0|2,0,0]=4 16905 B14R0.80 C=CCCCCOCC(CC)CCCC 34a_100000766645_100000211942 [0,2,0,0,0,0|2,0,0]=4 16906 B14R0.80 C=CCCCCOCC(CC)CCCC 7a_100000210273_100011215482 [0,2,0,0,0,0|2,0,0]=4 16907 B14R0.80 C=CCCCCOCC(CC)CCCC 7a_100000766645_100000211942 [0,2,0,0,0,0|2,0,0]=4 16908 B14R0.80 C=CCCCCSCC(CC)CCCC 62a_100000211942_100011215482 [0,2,0,0,0,0|2,0,0]=4 16909 B14R0.80 C=CCCCCSCC(CC)CCCC 62a_100011215482_100000211942 [0,2,0,0,0,0|2,0,0]=4 16910 B14R0.80 C=CCNC(CC)CCCCCCCC 270004a_100020586998_200011217995 [0,2,0,0,0,0|2,0,0]=4 16911 B14R0.80 C=CCNCCCCC(CC)CCCC 2230a_100020586998_200012094884 [0,2,0,0,0,0|2,0,0]=4 16912 B14R0.80 C=CCOC(CC)CCCCCCCC 34a_200011216270_100015514636 [0,2,0,0,0,0|2,0,0]=4 16913 B14R0.80 C=CCOC(CC)CCCCCCCC 7a_200011216270_100015514636 [0,2,0,0,0,0|2,0,0]=4 16914 B14R0.80 C=CCOCCCCC(CC)CCCC 34a_200000210373_200012094884 [0,2,0,0,0,0|2,0,0]=4 16915 B14R0.80 C=CCSCCCCC(CC)CCCC 62a_100000210623_200012094884 [0,2,0,0,0,0|2,0,0]=4 16916 B14R0.80 C=CCSCCCCC(CC)CCCC 62a_200012094884_100000210623 [0,2,0,0,0,0|2,0,0]=4 16917 B14R0.80 CCCCC(CC)CCCCSCC=O 62a_200012094884_200015260668 [0,2,0,0,0,0|1,0,0]=3 16918 B14R0.80 CCCCC(CC)CCCCSCC=O 62a_200015260668_200012094884 [0,2,0,0,0,0|1,0,0]=3 16919 B14R0.80 CCCCC(CC)CNCCCCC=O 2230a_100000209976_100000139335 [0,2,0,0,0,0|1,0,0]=3 16920 B14R0.80 CCCCC(CC)COCCCCC=O 7a_100000210273_100000139335 [0,2,0,0,0,0|1,0,0]=3 16921 B14R0.80 CCCCC(CC)CSCCCCC=O 62a_100000139335_100000211942 [0,2,0,0,0,0|1,0,0]=3 16922 B14R0.80 CCCCC(CC)CSCCCCC=O 62a_100000211942_100000139335 [0,2,0,0,0,0|1,0,0]=3 16923 B14R0.80 CCCCC(CC)OCCCCCC=O 7a_100011215227_100000139337 [0,2,0,0,0,0|1,0,0]=3 16924 B14R0.80 CCCCC(CC)SCCCCCC=O 62a_100000139337_200011216223 [0,2,0,0,0,0|1,0,0]=3 16925 B14R0.80 CCCCC(CC)SCCCCCC=O 62a_200011216223_100000139337 [0,2,0,0,0,0|1,0,0]=3 16926 B14R0.80 CCCCCCCCC(CC)OCC=O 34a_200011216270_200009817547 [0,2,0,0,0,0|1,0,0]=3 16927 B14R0.80 CCCCCCCCC(CC)OCC=O 7a_200011216270_200015260668 [0,2,0,0,0,0|1,0,0]=3 16928 B14R0.80 CCCCN(CC)CCNCCCC=O 2230a_200011208488_200011292268 [0,2,0,0,0,0|2,0,0]=4 16929 B14R0.80 CCCCN(CCCCOCC=O)N=O 34a_200000034022_200009817547 [0,2,0,0,0,0|2,0,0]=4 16930 B14R0.80 CCCCN(CCCCOCC=O)N=O 7a_200000034022_200015260668 [0,2,0,0,0,0|2,0,0]=4 16931 B14R0.80 CCCC[C@@H](CO)NCCCCCC=O 2230a_100011934283_100000139337 [0,2,0,0,0,0|1,0,0]=3 16932 B14R0.80 CSCC[C@@H](CO)NCCCCCC=O 2230a_100011827619_100000139337 [0,2,0,0,0,0|2,0,0]=4 16933 B14R0.82 C=CC(C)CC(=O)CCCCCCCC 1458a_100011934298_100000210759 [0,2,0,0,0,0|1,0,1]=4 16934 B14R0.82 C=CC(O)CN(C)CCCCCCCC 2230a_100000207567_100000730141 [0,2,0,0,0,0|2,0,0]=4 16935 B14R0.82 C=CCCCCCCC(=O)CC(C)CC 1458a_100000708755_100011215473 [0,2,0,0,0,0|1,0,1]=4 16936 B14R0.82 C=CCCCCCCC(=O)CC(C)CC 1458a_100011809334_100000748023 [0,2,0,0,0,0|1,0,1]=4 16937 B14R0.82 C=CCCCCCCC(=O)CC(O)CC 1458a_100011667805_100011215473 [0,2,0,0,0,0|1,0,1]=4 16938 B14R0.82 C=CCCCCCCC(=O)CC(O)CC 1458a_100011809334_100011218378 [0,2,0,0,0,0|1,0,1]=4 16939 B14R0.82 C=CCCCCCCC(=O)C[C@@H](C)CC 1458a_100011809334_100009816398 [0,2,0,0,0,0|1,0,1]=4 16940 B14R0.82 C=CCCCCCCN(C)CC(C)CC 2230a_100000753921_100011215473 [0,2,0,0,0,0|2,0,0]=4 16941 B14R0.82 C=CCCCCCCN(C)CC(C)CC 269982a_100000753921_100011215473 [0,2,0,0,0,0|2,0,0]=4 16942 B14R0.82 C=CCCCCCNC(C)CC(C)CC 2230a_100000763565_100000700193 [0,2,0,0,0,0|2,0,0]=4 16943 B14R0.82 CCC(C)CC(C)NCCCCCC=O 2230a_100000763565_100000139337 [0,2,0,0,0,0|1,0,0]=3 16944 B14R0.179 C#CCCCC(=O)CCCCCCCC 1458a_100000210188_100000731252 [0,2,0,0,0,0|1,0,1]=4 16945 B14R0.179 C#CCCCC(=O)CCCCCCCC 1458a_100000690238_100000210759 [0,2,0,0,0,0|1,0,1]=4 16946 B14R0.179 C#CCCCCCCC(=O)CCCCC 1458a_100000034748_100000210326 [0,2,0,0,0,0|1,0,1]=4 16947 B14R0.179 C#CCCCCCCC(=O)CCCCC 1458a_100000212188_100012276617 [0,2,0,0,0,0|1,0,1]=4 16948 B14R0.179 C#CCCCCCCN(C)CCCCC 2230a_100000223495_100012276617 [0,2,0,0,0,0|1,0,1]=4 16949 B14R0.179 C#CCCCCCCN(C)CCCCC 269982a_100000223495_100012276617 [0,2,0,0,0,0|1,0,1]=4 16950 B14R0.179 C#CCCCCCNC(C)CCCCC 2230a_100000211957_100012094781 [0,2,0,0,0,0|1,0,1]=4 16951 B14R0.179 C#CCCCCCOC(C)CCCCC 34a_100000766912_200011218191 [0,2,0,0,0,0|1,0,1]=4 16952 B14R0.179 C#CCCCCCOC(C)CCCCC 34a_100011215632_100012094781 [0,2,0,0,0,0|1,0,1]=4 16953 B14R0.179 C#CCCCCCOC(C)CCCCC 7a_100000766912_200011218191 [0,2,0,0,0,0|1,0,1]=4 16954 B14R0.179 C#CCCCCCOC(C)CCCCC 7a_100011215632_100012094781 [0,2,0,0,0,0|1,0,1]=4 16955 B14R0.179 C#CCCCCCSC(C)CCCCC 62a_100012094781_200011218191 [0,2,0,0,0,0|1,0,1]=4 16956 B14R0.179 C#CCCCCCSC(C)CCCCC 62a_200011218191_100012094781 [0,2,0,0,0,0|1,0,1]=4 16957 B14R0.179 C#CCCCN(C)CCCCCCCC 2230a_100000207567_100000731252 [0,2,0,0,0,0|1,0,1]=4 16958 B14R0.179 C#CCCCN(C)CCCCCCCC 269982a_100000207567_100011215417 [0,2,0,0,0,0|1,0,1]=4 16959 B14R0.179 C#CCCOC(C)CCCCCCCC 34a_100000210740_100000688953 [0,2,0,0,0,0|1,0,1]=4 16960 B14R0.179 C#CCCOC(C)CCCCCCCC 7a_100000210740_100000688953 [0,2,0,0,0,0|1,0,1]=4 16961 B14R0.179 C#CCOCC(C)CCCCCCCC 34a_200012125181_100000184674 [0,2,0,0,0,0|1,0,1]=4 16962 B14R0.179 C#CCOCC(C)CCCCCCCC 7a_200012125181_100000038162 [0,2,0,0,0,0|1,0,1]=4 16963 B14R0.179 C/C=C/COC(C)CCCCCCCC 34a_100000210740_100102629194 [0,2,0,0,0,0|1,0,1]=4 16964 B14R0.179 C/C=C/COC(C)CCCCCCCC 7a_100000210740_100102629194 [0,2,0,0,0,0|1,0,1]=4 16965 B14R0.179 C=CCCCC(=O)CCCCCCCC 1458a_100000210188_100000757094 [0,2,0,0,0,0|1,0,0]=3 16966 B14R0.179 C=CCCCC(=O)CCCCCCCC 1458a_100000766728_100000210759 [0,2,0,0,0,0|1,0,0]=3 16967 B14R0.179 C=CCCCC(=O)CCCCCCCO 1458a_100000766728_100000760002 [0,2,0,0,0,0|1,0,1]=4 16968 B14R0.179 C=CCCCC(=O)CCCCCCCO 1458a_100011219782_100000757094 [0,2,0,0,0,0|1,0,1]=4 16969 B14R0.179 C=CCCCC(=O)CCCCCCOC 1458a_100000766728_100011998445 [0,2,0,0,0,0|1,0,1]=4 16970 B14R0.179 C=CCCCC(=O)NCCCCCCC 11a_100000229938_100000766728 [0,2,0,0,0,0|1,0,1]=4 16971 B14R0.179 C=CCCCC(=O)NCCCCCCC 1626a_100000229938_100000766728 [0,2,0,0,0,0|1,0,1]=4 16972 B14R0.179 C=CCCCC(=O)NCCCCCCC 240690a_100000229938_100000766728 [0,2,0,0,0,0|1,0,1]=4 16973 B14R0.179 C=CCCCC(=O)NCCCCCCC 527a_100000229938_100000766728 [0,2,0,0,0,0|1,0,1]=4 16974 B14R0.179 C=CCCCCCCC(=O)CCCCC 1458a_100000212188_100011215473 [0,2,0,0,0,0|1,0,0]=3 16975 B14R0.179 C=CCCCCCCC(=O)CCCCC 1458a_100011809334_100000210326 [0,2,0,0,0,0|1,0,0]=3 16976 B14R0.179 C=CCCCCCCC(=O)CCCCF 1458a_100011809334_100000729493 [0,2,0,0,0,0|1,0,1]=4 16977 B14R0.179 C=CCCCCCCC(=O)CCCCO 1458a_100000695505_100011215473 [0,2,0,0,0,0|1,0,1]=4 16978 B14R0.179 C=CCCCCCCC(=O)CCCCO 1458a_100011809334_100000210776 [0,2,0,0,0,0|1,0,1]=4 16979 B14R0.179 C=CCCCCCCC(=O)CCCOC 1458a_100000741012_100011215473 [0,2,0,0,0,0|1,0,1]=4 16980 B14R0.179 C=CCCCCCCC(=O)CCCOC 1458a_100011809334_100000740836 [0,2,0,0,0,0|1,0,1]=4 16981 B14R0.179 C=CCCCCCCC(=O)CCCSC 1458a_100000173376_100011215473 [0,2,0,0,0,0|1,0,1]=4 16982 B14R0.179 C=CCCCCCCC(=O)CCOCC 1458a_100000749530_100011215473 [0,2,0,0,0,0|1,0,1]=4 16983 B14R0.179 C=CCCCCCCC(=O)CCOCC 1458a_100011809334_100011215890 [0,2,0,0,0,0|1,0,1]=4 16984 B14R0.179 C=CCCCCCCC(=O)CCSCC 1458a_100000230768_100011215473 [0,2,0,0,0,0|1,0,1]=4 16985 B14R0.179 C=CCCCCCCC(=O)CCSCC 1458a_100011809334_100000757381 [0,2,0,0,0,0|1,0,1]=4 16986 B14R0.179 C=CCCCCCCC(=O)COCCC 1458a_100000745993_100011215473 [0,2,0,0,0,0|1,0,1]=4 16987 B14R0.179 C=CCCCCCCC(=O)CSCCC 1458a_100000217233_100011215473 [0,2,0,0,0,0|1,0,1]=4 16988 B14R0.179 C=CCCCCCCC(=O)NCCCC 11a_100000102301_100011809334 [0,2,0,0,0,0|1,0,1]=4 16989 B14R0.179 C=CCCCCCCC(=O)NCCCC 1626a_100000102301_100011809334 [0,2,0,0,0,0|1,0,1]=4 16990 B14R0.179 C=CCCCCCCC(=O)NCCCC 240690a_100000102301_100011809334 [0,2,0,0,0,0|1,0,1]=4 16991 B14R0.179 C=CCCCCCCC(=O)NCCCC 527a_100000102301_100011809334 [0,2,0,0,0,0|1,0,1]=4 16992 B14R0.179 C=CCCCCCCN(C)CCCCC 2230a_100000223495_100011215473 [0,2,0,0,0,0|1,0,0]=3 16993 B14R0.179 C=CCCCCCCN(C)CCCCC 269982a_100000223495_100011215473 [0,2,0,0,0,0|1,0,0]=3 16994 B14R0.179 C=CCCCCCCN(C)CCCCO 2230a_100000717598_100011215473 [0,2,0,0,0,0|2,0,0]=4 16995 B14R0.179 C=CCCCCCCN(C)CCCCO 269982a_100000717598_100011215473 [0,2,0,0,0,0|2,0,0]=4 16996 B14R0.179 C=CCCCCCCN(C)CCCOC 2230a_100000224831_100011215473 [0,2,0,0,0,0|2,0,0]=4 16997 B14R0.179 C=CCCCCCCN(C)CCCOC 269982a_100000224831_100011215473 [0,2,0,0,0,0|2,0,0]=4 16998 B14R0.179 C=CCCCCCNC(C)CCCCC 2230a_100000211957_100000700193 [0,2,0,0,0,0|1,0,0]=3 16999 B14R0.179 C=CCCCCCOC(C)CCCCC 34a_100011215632_100000700193 [0,2,0,0,0,0|1,0,0]=3 17000 B14R0.179 C=CCCCCCOC(C)CCCCC 34a_100011216702_200011218191 [0,2,0,0,0,0|1,0,0]=3 17001 B14R0.179 C=CCCCCCOC(C)CCCCC 7a_100011215632_100000700193 [0,2,0,0,0,0|1,0,0]=3 17002 B14R0.179 C=CCCCCCOC(C)CCCCC 7a_100011216702_200011218191 [0,2,0,0,0,0|1,0,0]=3 17003 B14R0.179 C=CCCCCCOC(C)CCCOC 34a_200011539412_100000700193 [0,2,0,0,0,0|2,0,0]=4 17004 B14R0.179 C=CCCCCCOC(C)CCCOC 7a_200011539412_100000700193 [0,2,0,0,0,0|2,0,0]=4 17005 B14R0.179 C=CCCCCCSC(C)CCCCC 62a_100000700193_200011218191 [0,2,0,0,0,0|1,0,0]=3 17006 B14R0.179 C=CCCCCCSC(C)CCCCC 62a_200011218191_100000700193 [0,2,0,0,0,0|1,0,0]=3 17007 B14R0.179 C=CCCCCNCC(=O)CCCCC 2230a_100000703577_200012276598 [0,2,0,0,0,0|1,0,1]=4 17008 B14R0.179 C=CCCCCNCC(=O)CCCCC 34a_100000703577_200012276598 [0,2,0,0,0,0|1,0,1]=4 17009 B14R0.179 C=CCCCCOCC(=O)CCCCC 34a_100000766645_200012276598 [0,2,0,0,0,0|1,0,1]=4 17010 B14R0.179 C=CCCCCOCC(=O)CCCCC 7a_100000766645_200012276598 [0,2,0,0,0,0|1,0,1]=4 17011 B14R0.179 C=CCCCCOC[C@@H](N)CCCCN 34a_100016993712_100011215482 [0,2,0,0,0,0|2,0,0]=4 17012 B14R0.179 C=CCCCCSCC(=O)CCCCC 62a_100011215482_200012276598 [0,2,0,0,0,0|1,0,1]=4 17013 B14R0.179 C=CCCCCSCC(=O)CCCCC 62a_200012276598_100011215482 [0,2,0,0,0,0|1,0,1]=4 17014 B14R0.179 C=CCCCN(C)CCCCCCCC 2230a_100000207567_100011713584 [0,2,0,0,0,0|1,0,0]=3 17015 B14R0.179 C=CCCCN(C)CCCCCCCC 269982a_100000207567_100000757094 [0,2,0,0,0,0|1,0,0]=3 17016 B14R0.179 C=CCCNC(=O)CCCCCCCC 11a_100015191253_100000210188 [0,2,0,0,0,0|1,0,1]=4 17017 B14R0.179 C=CCCNC(=O)CCCCCCCC 1626a_100015191253_100000210188 [0,2,0,0,0,0|1,0,1]=4 17018 B14R0.179 C=CCCNC(=O)CCCCCCCC 240690a_100015191253_100000210188 [0,2,0,0,0,0|1,0,1]=4 17019 B14R0.179 C=CCCNC(=O)CCCCCCCC 527a_100015191253_100000210188 [0,2,0,0,0,0|1,0,1]=4 17020 B14R0.179 C=CCCNC(C)CCCCCCCC 270004a_100015191253_100011216694 [0,2,0,0,0,0|1,0,0]=3 17021 B14R0.179 C=CCCOC(C)CCCCCCCC 34a_100000210740_100000754431 [0,2,0,0,0,0|1,0,0]=3 17022 B14R0.179 C=CCCOC(C)CCCCCCCC 7a_100000210740_100000754431 [0,2,0,0,0,0|1,0,0]=3 17023 B14R0.179 C=CCNCC(C)CCCCCCCC 270004a_100020586998_100011995885 [0,2,0,0,0,0|1,0,0]=3 17024 B14R0.179 C=CCOCC(C)CCCCCCCC 34a_200012125181_100015514636 [0,2,0,0,0,0|1,0,0]=3 17025 B14R0.179 C=CCOCC(C)CCCCCCCC 7a_200012125181_100015514636 [0,2,0,0,0,0|1,0,0]=3 17026 B14R0.179 C=CCSCC(=O)CCCCCCCC 1458a_100000230395_100000210759 [0,2,0,0,0,0|1,0,1]=4 17027 B14R0.179 C=COCCC(=O)CCCCCCCC 1458a_100000210188_100000039644 [0,2,0,0,0,0|1,0,1]=4 17028 B14R0.179 C=COCCCCOC(C)CCCCC 34a_100000031558_200011218191 [0,2,0,0,0,0|2,0,0]=4 17029 B14R0.179 C=COCCCCOC(C)CCCCC 7a_100000031558_200011218191 [0,2,0,0,0,0|2,0,0]=4 17030 B14R0.179 C=COCCN(C)CCCCCCCC 2230a_100000207567_100000039644 [0,2,0,0,0,0|2,0,0]=4 17031 B14R0.179 C=COCCN(C)CCCCCCCC 269982a_100000207567_100000039644 [0,2,0,0,0,0|2,0,0]=4 17032 B14R0.179 CC=CCOC(C)CCCCCCCC 34a_100000210740_100000070051 [0,2,0,0,0,0|1,0,1]=4 17033 B14R0.179 CC=CCOC(C)CCCCCCCC 7a_100000210740_100000070051 [0,2,0,0,0,0|1,0,1]=4 17034 B14R0.179 CCC#CCC(C)OCCCCCC=O 7a_200000035118_100000139337 [0,2,0,0,0,0|0,0,2]=4 17035 B14R0.179 CCCCCC(=O)CCCCCCC#N 1458a_100000212188_100009813337 [0,2,0,0,0,0|1,0,1]=4 17036 B14R0.179 CCCCCC(=O)CCCCCCCO 1458a_100000212188_100000760002 [0,2,0,0,0,0|0,0,2]=4 17037 B14R0.179 CCCCCC(=O)CCCCCCCO 1458a_100011219782_100000210326 [0,2,0,0,0,0|0,0,2]=4 17038 B14R0.179 CCCCCC(=O)CCCCCCOC 1458a_100000212188_100011998445 [0,2,0,0,0,0|2,0,0]=4 17039 B14R0.179 CCCCCC(=O)CSCCCCC=O 62a_100000139335_200012276598 [0,2,0,0,0,0|0,0,1]=3 17040 B14R0.179 CCCCCC(=O)CSCCCCC=O 62a_200012276598_100000139335 [0,2,0,0,0,0|0,0,1]=3 17041 B14R0.179 CCCCCC(C)NCCCCCC#N 2230a_100000211957_100009813376 [0,2,0,0,0,0|1,0,1]=4 17042 B14R0.179 CCCCCC(C)NCCCCCC#N 270004a_100000061152_100000211708 [0,2,0,0,0,0|1,0,1]=4 17043 B14R0.179 CCCCCC(C)NCCCCCC=O 2230a_100000211957_100000139337 [0,2,0,0,0,0|0,0,0]=2 17044 B14R0.179 CCCCCC(C)NCCCCCCF 2230a_100000211957_100015922095 [0,2,0,0,0,0|1,0,1]=4 17045 B14R0.179 CCCCCC(C)NCCCCCCO 2230a_100000211957_100000766143 [0,2,0,0,0,0|0,0,2]=4 17046 B14R0.179 CCCCCC(C)NCCCCCCO 2230a_100000686447_200011218191 [0,2,0,0,0,0|0,0,2]=4 17047 B14R0.179 CCCCCC(C)NCCCCCCO 270004a_100000686447_100000211708 [0,2,0,0,0,0|0,0,2]=4 17048 B14R0.179 CCCCCC(C)NCCCCCCO 34a_100000686447_200011218191 [0,2,0,0,0,0|0,0,2]=4 17049 B14R0.179 CCCCCC(C)NCCCCCOC 2230a_100000747528_200011218191 [0,2,0,0,0,0|2,0,0]=4 17050 B14R0.179 CCCCCC(C)NCCCCCOC 270004a_100000747528_100000211708 [0,2,0,0,0,0|2,0,0]=4 17051 B14R0.179 CCCCCC(C)NCCCCCOC 34a_100000747528_200011218191 [0,2,0,0,0,0|2,0,0]=4 17052 B14R0.179 CCCCCC(C)OCCCCCC#N 7a_100011215632_100009813376 [0,2,0,0,0,0|1,0,1]=4 17053 B14R0.179 CCCCCC(C)OCCCCCC=O 7a_100011215632_100000139337 [0,2,0,0,0,0|0,0,0]=2 17054 B14R0.179 CCCCCC(C)OCCCCCCBr 34a_100011215345_200011218191 [0,2,0,0,0,0|1,0,1]=4 17055 B14R0.179 CCCCCC(C)OCCCCCCBr 7a_100011215345_200011218191 [0,2,0,0,0,0|1,0,1]=4 17056 B14R0.179 CCCCCC(C)OCCCCCCCl 34a_100000766143_200011218191 [0,2,0,0,0,0|1,0,1]=4 17057 B14R0.179 CCCCCC(C)OCCCCCCCl 7a_100000766143_200011218191 [0,2,0,0,0,0|1,0,1]=4 17058 B14R0.179 CCCCCC(C)OCCCCCCF 34a_100000732779_200011218191 [0,2,0,0,0,0|1,0,1]=4 17059 B14R0.179 CCCCCC(C)OCCCCCCF 34a_100011215632_100015922095 [0,2,0,0,0,0|1,0,1]=4 17060 B14R0.179 CCCCCC(C)OCCCCCCF 7a_100000732779_200011218191 [0,2,0,0,0,0|1,0,1]=4 17061 B14R0.179 CCCCCC(C)OCCCCCCF 7a_100011215632_100015922095 [0,2,0,0,0,0|1,0,1]=4 17062 B14R0.179 CCCCCC(C)OCCCCCCN 34a_100000686447_200011218191 [0,2,0,0,0,0|1,0,1]=4 17063 B14R0.179 CCCCCC(C)OCCCCCCO 34a_100011215632_100000766143 [0,2,0,0,0,0|0,0,2]=4 17064 B14R0.179 CCCCCC(C)OCCCCCCO 7a_100011215632_100000766143 [0,2,0,0,0,0|0,0,2]=4 17065 B14R0.179 CCCCCC(C)OCCCCCNC 34a_100000722520_200011218191 [0,2,0,0,0,0|2,0,0]=4 17066 B14R0.179 CCCCCC(C)SCCCCCC#N 62a_100009813376_200011218191 [0,2,0,0,0,0|1,0,1]=4 17067 B14R0.179 CCCCCC(C)SCCCCCC#N 62a_200011218191_100009813376 [0,2,0,0,0,0|1,0,1]=4 17068 B14R0.179 CCCCCC(C)SCCCCCC=O 62a_100000139337_200011218191 [0,2,0,0,0,0|0,0,0]=2 17069 B14R0.179 CCCCCC(C)SCCCCCC=O 62a_200011218191_100000139337 [0,2,0,0,0,0|0,0,0]=2 17070 B14R0.179 CCCCCC(C)SCCCCCCF 62a_100015922095_200011218191 [0,2,0,0,0,0|1,0,1]=4 17071 B14R0.179 CCCCCC(C)SCCCCCCF 62a_200011218191_100015922095 [0,2,0,0,0,0|1,0,1]=4 17072 B14R0.179 CCCCCC(C)SCCCCCCO 62a_100000766143_200011218191 [0,2,0,0,0,0|0,0,2]=4 17073 B14R0.179 CCCCCC(C)SCCCCCCO 62a_200011218191_100000766143 [0,2,0,0,0,0|0,0,2]=4 17074 B14R0.179 CCCCCCCCC(=O)CCCC#N 1458a_100000075515_100000210759 [0,2,0,0,0,0|1,0,1]=4 17075 B14R0.179 CCCCCCCCC(=O)CCCC#N 1458a_100000210188_100000211468 [0,2,0,0,0,0|1,0,1]=4 17076 B14R0.179 CCCCCCCCC(=O)CCCCC 1458a_100000210188_100000210326 [0,2,0,0,0,0|1,0,1]=4 17077 B14R0.179 CCCCCCCCC(=O)CCCCC 1458a_100000212188_100000210759 [0,2,0,0,0,0|1,0,1]=4 17078 B14R0.179 CCCCCCCCC(=O)CCCCF 1458a_100000210188_100000729493 [0,2,0,0,0,0|1,0,1]=4 17079 B14R0.179 CCCCCCCCC(=O)CCCCO 1458a_100000210188_100000210776 [0,2,0,0,0,0|0,0,2]=4 17080 B14R0.179 CCCCCCCCC(=O)CCCCO 1458a_100000695505_100000210759 [0,2,0,0,0,0|0,0,2]=4 17081 B14R0.179 CCCCCCCCC(=O)CCCOC 1458a_100000210188_100000740836 [0,2,0,0,0,0|2,0,0]=4 17082 B14R0.179 CCCCCCCCC(=O)CCCOC 1458a_100000741012_100000210759 [0,2,0,0,0,0|2,0,0]=4 17083 B14R0.179 CCCCCCCCC(=O)CCCSC 1458a_100000173376_100000210759 [0,2,0,0,0,0|2,0,0]=4 17084 B14R0.179 CCCCCCCCC(C)CNCCC 270004a_100020643023_100011995885 [0,2,0,0,0,0|1,0,1]=4 17085 B14R0.179 CCCCCCCCC(C)CNCCO 270004a_100000210304_100011995885 [0,2,0,0,0,0|0,0,2]=4 17086 B14R0.179 CCCCCCCCC(C)COCC#N 7a_200012125181_100011215382 [0,2,0,0,0,0|1,0,1]=4 17087 B14R0.179 CCCCCCCCC(C)COCC=O 34a_200012125181_200009817547 [0,2,0,0,0,0|0,0,0]=2 17088 B14R0.179 CCCCCCCCC(C)COCC=O 7a_200012125181_200015260668 [0,2,0,0,0,0|0,0,0]=2 17089 B14R0.179 CCCCCCCCC(C)COCCC 34a_200012125181_100000210303 [0,2,0,0,0,0|1,0,1]=4 17090 B14R0.179 CCCCCCCCC(C)COCCC 7a_200012125181_100000210303 [0,2,0,0,0,0|1,0,1]=4 17091 B14R0.179 CCCCCCCCC(C)COCCF 34a_200012125181_100011217306 [0,2,0,0,0,0|1,0,1]=4 17092 B14R0.179 CCCCCCCCC(C)COCCF 7a_200012125181_100011217306 [0,2,0,0,0,0|1,0,1]=4 17093 B14R0.179 CCCCCCCCC(C)COCCO 34a_200012125181_100000211926 [0,2,0,0,0,0|0,0,2]=4 17094 B14R0.179 CCCCCCCCC(C)COCCO 7a_200012125181_100000211926 [0,2,0,0,0,0|0,0,2]=4 17095 B14R0.179 CCCCCCCCC(C)COCSC 34a_200012125181_100011218213 [0,2,0,0,0,0|2,0,0]=4 17096 B14R0.179 CCCCCCCCC(C)NCCC#N 270004a_100000720768_100011216694 [0,2,0,0,0,0|1,0,1]=4 17097 B14R0.179 CCCCCCCCC(C)NCCCC 270004a_100000102301_100011216694 [0,2,0,0,0,0|1,0,1]=4 17098 B14R0.179 CCCCCCCCC(C)NCCCF 270004a_100015189416_100011216694 [0,2,0,0,0,0|1,0,1]=4 17099 B14R0.179 CCCCCCCCC(C)NCCCO 270004a_100000182051_100011216694 [0,2,0,0,0,0|0,0,2]=4 17100 B14R0.179 CCCCCCCCC(C)NCCOC 270004a_100000209980_100011216694 [0,2,0,0,0,0|2,0,0]=4 17101 B14R0.179 CCCCCCCCC(C)NCCSC 270004a_100020590264_100011216694 [0,2,0,0,0,0|2,0,0]=4 17102 B14R0.179 CCCCCCCCC(C)OCCC#N 7a_100000210740_100000184422 [0,2,0,0,0,0|1,0,1]=4 17103 B14R0.179 CCCCCCCCC(C)OCCCC 34a_100000210740_100000210210 [0,2,0,0,0,0|1,0,1]=4 17104 B14R0.179 CCCCCCCCC(C)OCCCC 7a_100000210740_100000210211 [0,2,0,0,0,0|1,0,1]=4 17105 B14R0.179 CCCCCCCCC(C)OCCCF 34a_100000210740_100011934791 [0,2,0,0,0,0|1,0,1]=4 17106 B14R0.179 CCCCCCCCC(C)OCCCF 7a_100000210740_100011934791 [0,2,0,0,0,0|1,0,1]=4 17107 B14R0.179 CCCCCCCCC(C)OCCCO 34a_100000210740_100000230001 [0,2,0,0,0,0|0,0,2]=4 17108 B14R0.179 CCCCCCCCC(C)OCCCO 7a_100000210740_100011215043 [0,2,0,0,0,0|0,0,2]=4 17109 B14R0.179 CCCCCCCCC(C)OCCOC 34a_100000210740_100011201679 [0,2,0,0,0,0|2,0,0]=4 17110 B14R0.179 CCCCCCCCC(C)OCCOC 7a_100000210740_100000233755 [0,2,0,0,0,0|2,0,0]=4 17111 B14R0.179 CCCCCCCCC(C)OCCSC 34a_100000210740_100000212216 [0,2,0,0,0,0|2,0,0]=4 17112 B14R0.179 CCCCCCCCC(C)OCCSC 7a_100000210740_100000212216 [0,2,0,0,0,0|2,0,0]=4 17113 B14R0.179 CCCCCCCCN(C)CCCC#N 2230a_100000207567_100000687738 [0,2,0,0,0,0|1,0,1]=4 17114 B14R0.179 CCCCCCCCN(C)CCCC#N 269982a_100000207567_100000687738 [0,2,0,0,0,0|1,0,1]=4 17115 B14R0.179 CCCCCCCCN(C)CCCC=O 2230a_100000207567_200011292268 [0,2,0,0,0,0|0,0,0]=2 17116 B14R0.179 CCCCCCCCN(C)CCCC=O 269982a_100000207567_200011292268 [0,2,0,0,0,0|0,0,0]=2 17117 B14R0.179 CCCCCCCCN(C)CCCCC 2230a_100000207567_100000210326 [0,2,0,0,0,0|1,0,1]=4 17118 B14R0.179 CCCCCCCCN(C)CCCCC 2230a_100000223495_100000210759 [0,2,0,0,0,0|1,0,1]=4 17119 B14R0.179 CCCCCCCCN(C)CCCCC 2230a_200000207366_200000210301 [0,2,0,0,0,0|1,0,1]=4 17120 B14R0.179 CCCCCCCCN(C)CCCCC 269982a_100000207567_100000210215 [0,2,0,0,0,0|1,0,1]=4 17121 B14R0.179 CCCCCCCCN(C)CCCCC 269982a_100000223495_100000210759 [0,2,0,0,0,0|1,0,1]=4 17122 B14R0.179 CCCCCCCCN(C)CCCCC 269982a_200000207366_200000210301 [0,2,0,0,0,0|1,0,1]=4 17123 B14R0.179 CCCCCCCCN(C)CCCCF 2230a_100000207567_100000729493 [0,2,0,0,0,0|1,0,1]=4 17124 B14R0.179 CCCCCCCCN(C)CCCCF 269982a_100000207567_100000729493 [0,2,0,0,0,0|1,0,1]=4 17125 B14R0.179 CCCCCCCCN(C)CCCCO 2230a_100000207567_100000210776 [0,2,0,0,0,0|0,0,2]=4 17126 B14R0.179 CCCCCCCCN(C)CCCCO 2230a_100000717598_100000210759 [0,2,0,0,0,0|0,0,2]=4 17127 B14R0.179 CCCCCCCCN(C)CCCCO 269982a_100000207567_100000210776 [0,2,0,0,0,0|0,0,2]=4 17128 B14R0.179 CCCCCCCCN(C)CCCCO 269982a_100000717598_100000210759 [0,2,0,0,0,0|0,0,2]=4 17129 B14R0.179 CCCCCCCCN(C)CCCOC 2230a_100000207567_100000740836 [0,2,0,0,0,0|2,0,0]=4 17130 B14R0.179 CCCCCCCCN(C)CCCOC 2230a_100000224831_100000210759 [0,2,0,0,0,0|2,0,0]=4 17131 B14R0.179 CCCCCCCCN(C)CCCOC 269982a_100000207567_100000740836 [0,2,0,0,0,0|2,0,0]=4 17132 B14R0.179 CCCCCCCCN(C)CCCOC 269982a_100000224831_100000210759 [0,2,0,0,0,0|2,0,0]=4 17133 B14R0.179 CCCCCCCCN([13CH3])CCCCC 2230a_200000207366_200025704644 [0,2,0,0,0,0|1,0,1]=4 17134 B14R0.179 CCCCCCCCN([13CH3])CCCCC 269982a_200000207366_200025704644 [0,2,0,0,0,0|1,0,1]=4 17135 B14R0.179 CCCCCCCNC(C)CCCC#N 270004a_100000229938_200000032708 [0,2,0,0,0,0|1,0,1]=4 17136 B14R0.179 CCCCCCCNC(C)CCCCC 2230a_100000211957_100000210681 [0,2,0,0,0,0|1,0,1]=4 17137 B14R0.179 CCCCCCCNC(C)CCCCC 2230a_100000229938_200011218191 [0,2,0,0,0,0|1,0,1]=4 17138 B14R0.179 CCCCCCCNC(C)CCCCC 270004a_100000229938_100000211708 [0,2,0,0,0,0|1,0,1]=4 17139 B14R0.179 CCCCCCCNC(C)CCCSC 270004a_100000229938_100011399439 [0,2,0,0,0,0|2,0,0]=4 17140 B14R0.179 CCCCCCCOC(C)CCCCC 34a_100000210272_200011218191 [0,2,0,0,0,0|1,0,1]=4 17141 B14R0.179 CCCCCCCOC(C)CCCCC 34a_100011215632_100000210614 [0,2,0,0,0,0|1,0,1]=4 17142 B14R0.179 CCCCCCCOC(C)CCCCC 7a_100000210272_200011218191 [0,2,0,0,0,0|1,0,1]=4 17143 B14R0.179 CCCCCCCOC(C)CCCCC 7a_100011215632_100000210614 [0,2,0,0,0,0|1,0,1]=4 17144 B14R0.179 CCCCCCCOC(C)CCCOC 34a_200011539412_100000210614 [0,2,0,0,0,0|2,0,0]=4 17145 B14R0.179 CCCCCCCOC(C)CCCOC 7a_200011539412_100000210614 [0,2,0,0,0,0|2,0,0]=4 17146 B14R0.179 CCCCCCCSC(C)CCCCC 62a_100000210614_200011218191 [0,2,0,0,0,0|1,0,1]=4 17147 B14R0.179 CCCCCCCSC(C)CCCCC 62a_200011218191_100000210316 [0,2,0,0,0,0|1,0,1]=4 17148 B14R0.179 CCCCCCOC[C@@H](N)CCCCN 34a_100016993712_100000210314 [0,2,0,0,0,0|1,0,1]=4 17149 B14R0.179 CCCCCN(C)CCCCCCC#N 2230a_100000223495_100009813337 [0,2,0,0,0,0|1,0,1]=4 17150 B14R0.179 CCCCCN(C)CCCCCCC#N 269982a_100000223495_100009813337 [0,2,0,0,0,0|1,0,1]=4 17151 B14R0.179 CCCCCN(C)CCCCCCCO 2230a_100000223495_100000760002 [0,2,0,0,0,0|0,0,2]=4 17152 B14R0.179 CCCCCN(C)CCCCCCCO 269982a_100000223495_100000760002 [0,2,0,0,0,0|0,0,2]=4 17153 B14R0.179 CCCCCN(C)CCCCCCOC 2230a_100000223495_100011998445 [0,2,0,0,0,0|2,0,0]=4 17154 B14R0.179 CCCCCN(C)CCCCCCOC 269982a_100000223495_100011998445 [0,2,0,0,0,0|2,0,0]=4 17155 B14R0.179 CCCCNC(=O)CSCCCCC=O 62a_100000139335_100000182744 [0,2,0,0,0,0|1,0,1]=4 17156 B14R0.179 CCCCNC(=O)CSCCCCC=O 62a_100000182744_100000139335 [0,2,0,0,0,0|1,0,1]=4 17157 B14R0.179 CCCCOC(=O)CSCCCCC=O 62a_100000139335_100000211628 [0,2,0,0,0,0|1,0,1]=4 17158 B14R0.179 CCCCOC(=O)CSCCCCC=O 62a_100000211628_100000139335 [0,2,0,0,0,0|1,0,1]=4 17159 B14R0.179 COCCCC(C)OCCCCCC=O 7a_200011539412_100000139337 [0,2,0,0,0,0|1,0,0]=3 17160 B14R0.203 C=CCCC(C)NC(C)CCCCCC 270004a_100000210919_100000762624 [0,2,0,0,0,0|2,0,0]=4 17161 B14R0.203 C=CCCC(C)OC(C)CCCCCC 34a_100000765329_100011215978 [0,2,0,0,0,0|2,0,0]=4 17162 B14R0.203 C=CCCC(C)OC(C)CCCCCC 7a_100000765329_100011215978 [0,2,0,0,0,0|2,0,0]=4 17163 B14R0.529 C=CCCC(=O)CCC(C)CCCCC 1458a_100000034243_100000754431 [0,2,0,0,0,0|1,0,1]=4 17164 B14R0.529 C=CCCCC(=O)CCC(C)CCCC 1458a_100000033779_100000757094 [0,2,0,0,0,0|1,0,1]=4 17165 B14R0.1095 C=CCCC(=O)C(C)CCCCCCC 1458a_100000749702_200011218727 [0,2,0,0,0,0|1,0,1]=4 17166 B14R0.1095 C=CCCC(C)N(C)CCCCCCC 270004a_100000228206_100000762624 [0,2,0,0,0,0|2,0,0]=4 17167 B14R0.1095 C=CCCCCCC(=O)C(C)CCCC 1458a_100000725509_100000700193 [0,2,0,0,0,0|1,0,1]=4 17168 B14R0.1095 C=CCCCCCC(=O)C(C)CCCC 1458a_100011934241_200011215066 [0,2,0,0,0,0|1,0,1]=4 17169 B14R0.1095 C=CCCCCCC(=O)C(O)CCCC 1458a_100000720857_100000700193 [0,2,0,0,0,0|1,0,1]=4 17170 B14R0.1095 C=CCCN(C)C(C)CCCCCCC 2230a_100020639649_200011218727 [0,2,0,0,0,0|2,0,0]=4 17171 B14R0.1095 C=CCCN(C)C(C)CCCCCCC 269982a_100020639649_200011218727 [0,2,0,0,0,0|2,0,0]=4 17172 B14R0.1095 C=CCCN(C)C(C)CCCCCCC 270004a_100020639649_100000210596 [0,2,0,0,0,0|2,0,0]=4 17173 B14R0.2489 C=CCCCCCOC(C)(C)CCCC 7a_100011219641_100000700193 [0,2,0,0,0,0|2,0,0]=4 17174 B14R0.2489 C=CCCCCOCC(C)(C)CCCC 7a_200011995781_100011215482 [0,2,0,0,0,0|2,0,0]=4 17175 B14R0.2489 CC(C)(CCCBr)OCCCCCC=O 7a_100009888830_100000139337 [0,2,0,0,0,0|2,0,0]=4 17176 B14R0.2489 CCCCC(C)(C)COCCCCC=O 7a_200011995781_100000139335 [0,2,0,0,0,0|1,0,0]=3 17177 B14R0.2489 CCCCC(C)(C)OCCCCCC=O 7a_100011219641_100000139337 [0,2,0,0,0,0|1,0,0]=3 17178 B14R0.2489 CCCC[Si](C)(C)CSCCCCC=O 62a_100000139335_200000073895 [0,2,0,0,0,0|1,1,0]=4 17179 B14R0.2489 CCCC[Si](C)(C)CSCCCCC=O 62a_200000073895_100000139335 [0,2,0,0,0,0|1,1,0]=4 17180 B14R0.140 C=CC(C)COC(C)CCCCCCC 34a_100011215527_200011218727 [0,2,0,0,0,0|2,0,0]=4 17181 B14R0.140 C=CC(C)COC(C)CCCCCCC 7a_100011215527_200011218727 [0,2,0,0,0,0|2,0,0]=4 17182 B14R0.140 C=CC(O)COC(C)CCCCCCC 34a_200011215852_100000730141 [0,2,0,0,0,0|2,0,0]=4 17183 B14R0.140 C=CC(O)COC(C)CCCCCCC 7a_200011215852_100000730141 [0,2,0,0,0,0|2,0,0]=4 17184 B14R0.140 C=CC(O)CSC(C)CCCCCCC 62a_100000730141_200011218727 [0,2,0,0,0,0|2,0,0]=4 17185 B14R0.140 C=CC(O)CSC(C)CCCCCCC 62a_200011218727_100000730141 [0,2,0,0,0,0|2,0,0]=4 17186 B14R0.140 C=CCCCCCC(=O)CCC(C)CC 1458a_100000701222_100000700193 [0,2,0,0,0,0|1,0,1]=4 17187 B14R0.140 C=CCCCCOC(C)CCC(C)CC 7a_200011216552_100011215482 [0,2,0,0,0,0|2,0,0]=4 17188 B14R0.140 C=C[C@H](N)COC(C)CCCCCCC 34a_100016989147_200011218727 [0,2,0,0,0,0|2,0,0]=4 17189 B14R0.140 CCC(C)CCC(C)OCCCCC=O 7a_200011216552_100000139335 [0,2,0,0,0,0|1,0,0]=3 17190 B14R0.197 C=CC(O)COCCCCCC(C)CC 7a_200000035636_100000730141 [0,2,0,0,0,0|2,0,0]=4 17191 B14R0.2056 C=CC(C)(C)OCCCCCCCCC 34a_100011215311_100011214924 [0,2,0,0,0,0|2,0,0]=4 17192 B14R0.2056 C=CC(C)(C)OCCCCCCCCC 7a_100011215311_100000210328 [0,2,0,0,0,0|2,0,0]=4 17193 B14R0.2056 C=CC(F)(F)SCCCCCCCCC 62a_100009814244_100000210670 [0,2,0,0,0,0|2,0,0]=4 17194 B14R0.2056 C=CCCCCCCCNC(C)(C)CC 2230a_100000211385_100012355270 [0,2,0,0,0,0|2,0,0]=4 17195 B14R0.2056 C=CCCCCCCCOC(C)(C)CC 7a_100000210230_100012355270 [0,2,0,0,0,0|2,0,0]=4 17196 B14R0.2056 C=CCCCCCCCOC(C)(C)CC 7a_100000730831_100000210677 [0,2,0,0,0,0|2,0,0]=4 17197 B14R0.2056 C=CCCCCCCCSC(C)(C)CC 62a_100000032637_100012355270 [0,2,0,0,0,0|2,0,0]=4 17198 B14R0.2056 C=CCCCCCCCSC(C)(C)CC 62a_100012355270_100000032637 [0,2,0,0,0,0|2,0,0]=4 17199 B14R0.2056 C=CCCCCCCOCC(C)(C)CC 7a_100000765029_100011215473 [0,2,0,0,0,0|2,0,0]=4 17200 B14R0.2056 CC(C)(CO)CCCNCCCCC=O 2230a_100000039164_100000139335 [0,2,0,0,0,0|2,0,0]=4 17201 B14R0.2056 CCS(=O)(=O)CCNCCCCCC=O 2230a_100000751051_100000139337 [0,2,0,0,0,0|2,0,0]=4 17202 B14R0.2056 CCS(=O)(=O)CCOCCCCCC=O 7a_200011216379_100000139337 [0,2,0,0,0,0|2,0,0]=4 17203 B14R0.2056 CCS(=O)(=O)CCSCCCCCC=O 62a_100000139337_100000756660 [0,2,0,0,0,0|2,0,0]=4 17204 B14R0.2056 CCS(=O)(=O)CCSCCCCCC=O 62a_100000756660_100000139337 [0,2,0,0,0,0|2,0,0]=4 17205 B14R0.2056 COC(C)(C)CCOCCCCCC=O 7a_100000699976_100000139337 [0,2,0,0,0,0|2,0,0]=4 17206 B14R0.2297 C#CC(CC)OCCCCCCCC=C 34a_100000758843_100012355270 [0,2,0,0,0,0|2,0,0]=4 17207 B14R0.2297 C#CC(CC)OCCCCCCCC=C 7a_100000758843_100012355270 [0,2,0,0,0,0|2,0,0]=4 17208 B14R0.2297 C=CC(C=C)OCCCCCCCCC 34a_100000033096_100011214924 [0,2,0,0,0,0|2,0,0]=4 17209 B14R0.2297 C=CC(CC)OCCCCCCCCC 34a_100000766422_100011214924 [0,2,0,0,0,0|2,0,0]=4 17210 B14R0.2297 C=CC(CC)OCCCCCCCCC 7a_100000766422_100000210328 [0,2,0,0,0,0|2,0,0]=4 17211 B14R0.2297 C=CCCCCCCCCN(CC)CC 2230a_100000724800_100011933949 [0,2,0,0,0,0|2,0,0]=4 17212 B14R0.2297 C=CCCCCCCCCN(CC)CC 269956a_100000042499_100011933949 [0,2,0,0,0,0|2,0,0]=4 17213 B14R0.2297 C=CCCCCCCCCN(CC)CC 269982a_100000724800_100011933949 [0,2,0,0,0,0|2,0,0]=4 17214 B14R0.2297 C=CCCCCCCCNC(CC)CC 2230a_100000199018_100012355270 [0,2,0,0,0,0|2,0,0]=4 17215 B14R0.2297 C=CCCCCCCCN[C@@H](CC)CO 2230a_100000709445_100012355270 [0,2,0,0,0,0|2,0,0]=4 17216 B14R0.2297 C=CCCCCCCCOC(C=C)CC 34a_100000766422_100012355270 [0,2,0,0,0,0|2,0,0]=4 17217 B14R0.2297 C=CCCCCCCCOC(C=C)CC 7a_100000766422_100012355270 [0,2,0,0,0,0|2,0,0]=4 17218 B14R0.2297 C=CCCCCCCCOC(CC)CC 7a_100000688536_100012355270 [0,2,0,0,0,0|2,0,0]=4 17219 B14R0.2297 C=CCCCCCCCOC(CC)CC 7a_100000730831_100000210505 [0,2,0,0,0,0|2,0,0]=4 17220 B14R0.2297 C=CCCCCCCCSC(CC)CC 62a_100000210505_100012355270 [0,2,0,0,0,0|2,0,0]=4 17221 B14R0.2297 C=CCCCCCCCSC(CC)CC 62a_100012355270_100000210505 [0,2,0,0,0,0|2,0,0]=4 17222 B14R0.2297 C=CCCCCCCNCC(CC)CC 2230a_100102946423_100011215473 [0,2,0,0,0,0|2,0,0]=4 17223 B14R0.2297 C=CCCCCCCOCC(CC)CC 34a_200011216477_100011215472 [0,2,0,0,0,0|2,0,0]=4 17224 B14R0.2297 C=CCCCCCCOCC(CC)CC 7a_100000703878_100011215473 [0,2,0,0,0,0|2,0,0]=4 17225 B14R0.2297 C=CCCCCCCOCC(CC)CC 7a_200011216477_100011215472 [0,2,0,0,0,0|2,0,0]=4 17226 B14R0.2297 C=CCCCCCCOCC(CC)OC 34a_100011934954_100011215473 [0,2,0,0,0,0|2,0,0]=4 17227 B14R0.2297 C=CCCCCCCOCC(CC)OC 7a_100011934954_100011215473 [0,2,0,0,0,0|2,0,0]=4 17228 B14R0.2297 C=CCCCCCCSCC(CC)CC 62a_100011215472_100011215473 [0,2,0,0,0,0|2,0,0]=4 17229 B14R0.2297 C=CCCCCCCSCC(CC)CC 62a_100011215473_100011215472 [0,2,0,0,0,0|2,0,0]=4 17230 B14R0.2297 C=C[C@@H](CO)NCCCCCCCCC 2230a_100016989147_100011214924 [0,2,0,0,0,0|2,0,0]=4 17231 B14R0.2297 C=C[C@@H](CO)NCCCCCCCCC 34a_100016989147_100011214924 [0,2,0,0,0,0|2,0,0]=4 17232 B14R0.2297 CCCCCCCCCNC(C=O)C=O 2230a_100000212291_100000736813 [0,2,0,0,0,0|1,0,0]=3 17233 B14R0.2297 CCCCCCCCCNC(C=O)C=O 34a_100000212291_100000736813 [0,2,0,0,0,0|1,0,0]=3 17234 B14R0.2297 CCCCCCCCCOC(C=O)C=O 34a_100000210712_100000736813 [0,2,0,0,0,0|1,0,0]=3 17235 B14R0.2297 CCCCCCCCCSC(C=O)C=O 62a_100000736813_100000210670 [0,2,0,0,0,0|1,0,0]=3 17236 B14R0.2297 CCCCCCOCCOC(C=O)C=O 34a_100000691444_100000736813 [0,2,0,0,0,0|2,0,0]=4 17237 B14R0.2297 CCCCNCCCCOC(C=O)C=O 34a_200011216965_100000736813 [0,2,0,0,0,0|2,0,0]=4 17238 B14R0.2297 CCCCOCCCCOC(C=O)C=O 34a_200000760531_100000736813 [0,2,0,0,0,0|2,0,0]=4 17239 B14R0.2297 CCN(CC)CCCCCCOCC=O 7a_100011632896_200015260668 [0,2,0,0,0,0|2,0,0]=4 17240 B14R0.2297 CCN(CC)CCCCNCCCC=O 2230a_100000743895_200011292268 [0,2,0,0,0,0|2,0,0]=4 17241 B14R0.2297 CCN(CC)CCCCOCCCC=O 7a_100011305530_200011292268 [0,2,0,0,0,0|2,0,0]=4 17242 B14R0.2297 CCN(CC)CCCOCCCCC=O 7a_100000212844_100000139335 [0,2,0,0,0,0|2,0,0]=4 17243 B14R0.2297 CCN(CC)CCCSCCCCC=O 62a_100000139335_100000709985 [0,2,0,0,0,0|2,0,0]=4 17244 B14R0.2297 CCN(CC)CCNCCCCCC=O 2230a_100015382049_100000139337 [0,2,0,0,0,0|2,0,0]=4 17245 B14R0.2297 CCN(CC)CCOCCCCCC=O 7a_100016990331_100000139337 [0,2,0,0,0,0|2,0,0]=4 17246 B14R0.2297 CCN(CC)CCSCCCCCC=O 62a_100000139337_100000700428 [0,2,0,0,0,0|2,0,0]=4 17247 B14R0.2297 COC(CCCSCCCCC=O)OC 62a_100000069011_100000139335 [0,2,0,0,0,0|2,0,0]=4 17248 B14R0.2297 COC(CCCSCCCCC=O)OC 62a_100000139335_100000069011 [0,2,0,0,0,0|2,0,0]=4 17249 B14R0.2297 COC(CCSCCCCCC=O)OC 62a_100000139337_100000139399 [0,2,0,0,0,0|2,0,0]=4 17250 B14R0.2297 COC(CCSCCCCCC=O)OC 62a_100000139399_100000139337 [0,2,0,0,0,0|2,0,0]=4 17251 B14R0.2297 NCCCCCCCCOC(C=O)C=O 34a_102515433106_100000736813 [0,2,0,0,0,0|2,0,0]=4 17252 B14R0.2297 O=CC(C=O)NCCCCCCCCO 2230a_102515433106_100000736813 [0,2,0,0,0,0|2,0,0]=4 17253 B14R0.2297 O=CC(C=O)NCCCCCCCCO 34a_102515433106_100000736813 [0,2,0,0,0,0|2,0,0]=4 17254 B14R0.2297 O=CC(C=O)OCCCCCCCCBr 34a_100009813846_100000736813 [0,2,0,0,0,0|2,0,0]=4 17255 B14R0.2297 O=CC(C=O)OCCCCCCCCCl 34a_100000033203_100000736813 [0,2,0,0,0,0|2,0,0]=4 17256 B14R0.2297 O=CC(C=O)SCCCCCCCCO 62a_100000033203_100000736813 [0,2,0,0,0,0|2,0,0]=4 17257 B14R0.2297 O=CC(C=O)SCCCCCCCCO 62a_100000736813_100000033203 [0,2,0,0,0,0|2,0,0]=4 17258 B14R0.145 C#CCCCCC(=O)CCCCCCC 1458a_100000211969_100010269958 [0,2,0,0,0,0|1,0,1]=4 17259 B14R0.145 C#CCCCCC(=O)CCCCCCC 1458a_100000696528_100000210614 [0,2,0,0,0,0|1,0,1]=4 17260 B14R0.145 C#CCCCCCC(=O)CCCCCC 1458a_100000694772_100000210757 [0,2,0,0,0,0|1,0,1]=4 17261 B14R0.145 C#CCCCCCC(=O)CCCCCC 1458a_100102632555_100012094781 [0,2,0,0,0,0|1,0,1]=4 17262 B14R0.145 C#CCCCCCN(C)CCCCCC 2230a_106256046315_100012094781 [0,2,0,0,0,0|1,0,1]=4 17263 B14R0.145 C#CCCCCCN(C)CCCCCC 269982a_106256046315_100012094781 [0,2,0,0,0,0|1,0,1]=4 17264 B14R0.145 C#CCCCCN(C)CCCCCCC 2230a_100000228206_100010269958 [0,2,0,0,0,0|1,0,1]=4 17265 B14R0.145 C#CCCCCN(C)CCCCCCC 269982a_100000228206_100010269958 [0,2,0,0,0,0|1,0,1]=4 17266 B14R0.145 C#CCCCCNC(C)CCCCCC 2230a_100000210919_100010269958 [0,2,0,0,0,0|1,0,1]=4 17267 B14R0.145 C#CCCCCNC(C)CCCCCC 2230a_100000706060_100011215978 [0,2,0,0,0,0|1,0,1]=4 17268 B14R0.145 C#CCCCCNC(C)CCCCCC 34a_100000210919_100010269958 [0,2,0,0,0,0|1,0,1]=4 17269 B14R0.145 C#CCCCCNC(C)CCCCCC 34a_100000706060_100011215978 [0,2,0,0,0,0|1,0,1]=4 17270 B14R0.145 C#CCCCCOC(C)CCCCCC 34a_100000210265_100010269958 [0,2,0,0,0,0|1,0,1]=4 17271 B14R0.145 C#CCCCCOC(C)CCCCCC 34a_100000766709_100011215978 [0,2,0,0,0,0|1,0,1]=4 17272 B14R0.145 C#CCCCCOC(C)CCCCCC 7a_100000210265_100010269958 [0,2,0,0,0,0|1,0,1]=4 17273 B14R0.145 C#CCCCCOC(C)CCCCCC 7a_100000766709_100011215978 [0,2,0,0,0,0|1,0,1]=4 17274 B14R0.145 C#CCCCCSC(C)CCCCCC 62a_100010269958_100011215978 [0,2,0,0,0,0|1,0,1]=4 17275 B14R0.145 C#CCCCCSC(C)CCCCCC 62a_100011215978_100010269958 [0,2,0,0,0,0|1,0,1]=4 17276 B14R0.145 C#CCCCNC(C)CCCCCCC 270004a_100000718082_100000210596 [0,2,0,0,0,0|1,0,1]=4 17277 B14R0.145 C#CCCCNC(C)CCCCCCC 34a_100000718082_200011218727 [0,2,0,0,0,0|1,0,1]=4 17278 B14R0.145 C#CCCCOC(C)CCCCCCC 34a_100000215630_200011218727 [0,2,0,0,0,0|1,0,1]=4 17279 B14R0.145 C#CCCCOC(C)CCCCCCC 34a_200011215852_100000695029 [0,2,0,0,0,0|1,0,1]=4 17280 B14R0.145 C#CCCCOC(C)CCCCCCC 7a_100000215630_200011218727 [0,2,0,0,0,0|1,0,1]=4 17281 B14R0.145 C#CCCCOC(C)CCCCCCC 7a_200011215852_100011215417 [0,2,0,0,0,0|1,0,1]=4 17282 B14R0.145 C#CCCCSC(C)CCCCCCC 62a_100011215417_200011218727 [0,2,0,0,0,0|1,0,1]=4 17283 B14R0.145 C#CCCCSC(C)CCCCCCC 62a_200011218727_100011215417 [0,2,0,0,0,0|1,0,1]=4 17284 B14R0.145 C#CCCOCCC(C)CCCCCC 34a_200011024964_100000688953 [0,2,0,0,0,0|1,0,1]=4 17285 B14R0.145 C#CCCOCCC(C)CCCCCC 7a_200011024964_100000688953 [0,2,0,0,0,0|1,0,1]=4 17286 B14R0.145 C/C=C/CCOC(C)CCCCCCC 34a_100016278192_200011218727 [0,2,0,0,0,0|1,0,1]=4 17287 B14R0.145 C/C=C/COCCC(C)CCCCCC 34a_200011024964_100102629194 [0,2,0,0,0,0|1,0,1]=4 17288 B14R0.145 C/C=C/COCCC(C)CCCCCC 7a_200011024964_100102629194 [0,2,0,0,0,0|1,0,1]=4 17289 B14R0.145 C=CCCCCC(=O)CCCCCCC 1458a_100000211969_100011215482 [0,2,0,0,0,0|1,0,0]=3 17290 B14R0.145 C=CCCCCC(=O)CCCCCCC 1458a_100011215552_100000210614 [0,2,0,0,0,0|1,0,0]=3 17291 B14R0.145 C=CCCCCC(=O)CCCCCCF 1458a_100011215552_100015922095 [0,2,0,0,0,0|1,0,1]=4 17292 B14R0.145 C=CCCCCC(=O)CCCCCCO 1458a_100011215552_100000766143 [0,2,0,0,0,0|1,0,1]=4 17293 B14R0.145 C=CCCCCC(=O)CCCCCCO 1458a_100011996774_100011215482 [0,2,0,0,0,0|1,0,1]=4 17294 B14R0.145 C=CCCCCC(=O)CCCCCOC 1458a_100011935119_100011215482 [0,2,0,0,0,0|1,0,1]=4 17295 B14R0.145 C=CCCCCC(=O)CCOCCCC 1458a_100011215552_100000743108 [0,2,0,0,0,0|1,0,1]=4 17296 B14R0.145 C=CCCCCC(=O)NCCCCCC 11a_100000210581_100011215552 [0,2,0,0,0,0|1,0,1]=4 17297 B14R0.145 C=CCCCCC(=O)NCCCCCC 1626a_100000210581_100011215552 [0,2,0,0,0,0|1,0,1]=4 17298 B14R0.145 C=CCCCCC(=O)NCCCCCC 240690a_100000210581_100011215552 [0,2,0,0,0,0|1,0,1]=4 17299 B14R0.145 C=CCCCCC(=O)NCCCCCC 527a_100000210581_100011215552 [0,2,0,0,0,0|1,0,1]=4 17300 B14R0.145 C=CCCCCCC(=O)CCCCCC 1458a_100011934241_100000210757 [0,2,0,0,0,0|1,0,0]=3 17301 B14R0.145 C=CCCCCCC(=O)CCCCCC 1458a_100102632555_100000700193 [0,2,0,0,0,0|1,0,0]=3 17302 B14R0.145 C=CCCCCCC(=O)CCCCCF 1458a_100011934241_100000729378 [0,2,0,0,0,0|1,0,1]=4 17303 B14R0.145 C=CCCCCCC(=O)CCCCCO 1458a_100011934241_100000746330 [0,2,0,0,0,0|1,0,1]=4 17304 B14R0.145 C=CCCCCCC(=O)CCCCCO 1458a_100102619762_100000700193 [0,2,0,0,0,0|1,0,1]=4 17305 B14R0.145 C=CCCCCCC(=O)CCCCOC 1458a_100011934241_100000755781 [0,2,0,0,0,0|1,0,1]=4 17306 B14R0.145 C=CCCCCCC(=O)CCCOCC 1458a_100011934241_100012232248 [0,2,0,0,0,0|1,0,1]=4 17307 B14R0.145 C=CCCCCCC(=O)CCOCCC 1458a_100011934241_100011215938 [0,2,0,0,0,0|1,0,1]=4 17308 B14R0.145 C=CCCCCCC(=O)COCCCC 1458a_100000757543_100000700193 [0,2,0,0,0,0|1,0,1]=4 17309 B14R0.145 C=CCCCCCC(=O)COCCCC 1458a_100011934241_100011995733 [0,2,0,0,0,0|1,0,1]=4 17310 B14R0.145 C=CCCCCCC(=O)CSCCCC 1458a_100000191162_100000700193 [0,2,0,0,0,0|1,0,1]=4 17311 B14R0.145 C=CCCCCCC(=O)NCCCCC 11a_100000209983_100011934241 [0,2,0,0,0,0|1,0,1]=4 17312 B14R0.145 C=CCCCCCC(=O)NCCCCC 1626a_100000209983_100011934241 [0,2,0,0,0,0|1,0,1]=4 17313 B14R0.145 C=CCCCCCC(=O)NCCCCC 240690a_100000209983_100011934241 [0,2,0,0,0,0|1,0,1]=4 17314 B14R0.145 C=CCCCCCC(=O)NCCCCC 527a_100000209983_100011934241 [0,2,0,0,0,0|1,0,1]=4 17315 B14R0.145 C=CCCCCCN(C)CCCCCC 2230a_106256046315_100000700193 [0,2,0,0,0,0|1,0,0]=3 17316 B14R0.145 C=CCCCCCN(C)CCCCCC 269982a_106256046315_100000700193 [0,2,0,0,0,0|1,0,0]=3 17317 B14R0.145 C=CCCCCCN(C)CCCCCO 2230a_100000722520_100000700193 [0,2,0,0,0,0|2,0,0]=4 17318 B14R0.145 C=CCCCCCN(C)CCCCCO 269982a_100000722520_100000700193 [0,2,0,0,0,0|2,0,0]=4 17319 B14R0.145 C=CCCCCN(C)CCCCCC=O 2230a_100012000471_100000139337 [0,2,0,0,0,0|0,0,2]=4 17320 B14R0.145 C=CCCCCN(C)CCCCCC=O 269982a_100012000471_100000139337 [0,2,0,0,0,0|0,0,2]=4 17321 B14R0.145 C=CCCCCN(C)CCCCCCC 2230a_100000228206_100011215482 [0,2,0,0,0,0|1,0,0]=3 17322 B14R0.145 C=CCCCCN(C)CCCCCCC 2230a_100012000471_100000210681 [0,2,0,0,0,0|1,0,0]=3 17323 B14R0.145 C=CCCCCN(C)CCCCCCC 269982a_100000228206_100011215482 [0,2,0,0,0,0|1,0,0]=3 17324 B14R0.145 C=CCCCCN(C)CCCCCCC 269982a_100012000471_100000210681 [0,2,0,0,0,0|1,0,0]=3 17325 B14R0.145 C=CCCCCN(C)CCCCCCF 2230a_100012000471_100015922095 [0,2,0,0,0,0|2,0,0]=4 17326 B14R0.145 C=CCCCCN(C)CCCCCCF 269982a_100012000471_100015922095 [0,2,0,0,0,0|2,0,0]=4 17327 B14R0.145 C=CCCCCN(C)CCCCCCO 2230a_100012000471_100000766143 [0,2,0,0,0,0|2,0,0]=4 17328 B14R0.145 C=CCCCCN(C)CCCCCCO 269982a_100012000471_100000766143 [0,2,0,0,0,0|2,0,0]=4 17329 B14R0.145 C=CCCCCN(C)CCOCCCC 2230a_100012000471_100000743108 [0,2,0,0,0,0|2,0,0]=4 17330 B14R0.145 C=CCCCCN(C)CCOCCCC 269982a_100012000471_100000743108 [0,2,0,0,0,0|2,0,0]=4 17331 B14R0.145 C=CCCCCNC(=O)CCCCCC 11a_100000703577_100102632555 [0,2,0,0,0,0|1,0,1]=4 17332 B14R0.145 C=CCCCCNC(=O)CCCCCC 1626a_100000703577_100102632555 [0,2,0,0,0,0|1,0,1]=4 17333 B14R0.145 C=CCCCCNC(=O)CCCCCC 240690a_100000703577_100102632555 [0,2,0,0,0,0|1,0,1]=4 17334 B14R0.145 C=CCCCCNC(=O)CCCCCC 527a_100000703577_100102632555 [0,2,0,0,0,0|1,0,1]=4 17335 B14R0.145 C=CCCCCNC(C)CCCCCC 2230a_100000210919_100011215482 [0,2,0,0,0,0|1,0,0]=3 17336 B14R0.145 C=CCCCCNC(C)CCCCCC 2230a_100000703577_100011215978 [0,2,0,0,0,0|1,0,0]=3 17337 B14R0.145 C=CCCCCNC(C)CCCCCC 270004a_100000703577_100000210826 [0,2,0,0,0,0|1,0,0]=3 17338 B14R0.145 C=CCCCCNC(C)CCCCCC 34a_100000210919_100011215482 [0,2,0,0,0,0|1,0,0]=3 17339 B14R0.145 C=CCCCCNC(C)CCCCCC 34a_100000703577_100011215978 [0,2,0,0,0,0|1,0,0]=3 17340 B14R0.145 C=CCCCCOC(C)CCCCCC 34a_100000210265_100011215482 [0,2,0,0,0,0|1,0,0]=3 17341 B14R0.145 C=CCCCCOC(C)CCCCCC 34a_100000766645_100011215978 [0,2,0,0,0,0|1,0,0]=3 17342 B14R0.145 C=CCCCCOC(C)CCCCCC 7a_100000210265_100011215482 [0,2,0,0,0,0|1,0,0]=3 17343 B14R0.145 C=CCCCCOC(C)CCCCCC 7a_100000766645_100011215978 [0,2,0,0,0,0|1,0,0]=3 17344 B14R0.145 C=CCCCCOC(C)COCCCC 34a_100011217071_100011215482 [0,2,0,0,0,0|2,0,0]=4 17345 B14R0.145 C=CCCCCOC(C)COCCCC 7a_100011217071_100011215482 [0,2,0,0,0,0|2,0,0]=4 17346 B14R0.145 C=CCCCCSC(C)CCCCCC 62a_100011215482_100011215978 [0,2,0,0,0,0|1,0,0]=3 17347 B14R0.145 C=CCCCCSC(C)CCCCCC 62a_100011215978_100011215482 [0,2,0,0,0,0|1,0,0]=3 17348 B14R0.145 C=CCCCNC(=O)CCCCCCC 11a_100000700776_100000211969 [0,2,0,0,0,0|1,0,1]=4 17349 B14R0.145 C=CCCCNC(=O)CCCCCCC 1626a_100000700776_100000211969 [0,2,0,0,0,0|1,0,1]=4 17350 B14R0.145 C=CCCCNC(=O)CCCCCCC 240690a_100000700776_100000211969 [0,2,0,0,0,0|1,0,1]=4 17351 B14R0.145 C=CCCCNC(=O)CCCCCCC 527a_100000700776_100000211969 [0,2,0,0,0,0|1,0,1]=4 17352 B14R0.145 C=CCCCNC(C)CCCCCCC 2230a_100000700776_200011218727 [0,2,0,0,0,0|1,0,0]=3 17353 B14R0.145 C=CCCCNC(C)CCCCCCC 270004a_100000700776_100000210596 [0,2,0,0,0,0|1,0,0]=3 17354 B14R0.145 C=CCCCNC(C)CCCCCCC 34a_100000700776_200011218727 [0,2,0,0,0,0|1,0,0]=3 17355 B14R0.145 C=CCCCOC(C)CCCCCCC 34a_100000758997_200011218727 [0,2,0,0,0,0|1,0,0]=3 17356 B14R0.145 C=CCCCOC(C)CCCCCCC 34a_200011215852_100000757094 [0,2,0,0,0,0|1,0,0]=3 17357 B14R0.145 C=CCCCOC(C)CCCCCCC 7a_100000758997_200011218727 [0,2,0,0,0,0|1,0,0]=3 17358 B14R0.145 C=CCCCOC(C)CCCCCCC 7a_200011215852_100000757094 [0,2,0,0,0,0|1,0,0]=3 17359 B14R0.145 C=CCCCSC(C)CCCCCCC 62a_100011713584_200011218727 [0,2,0,0,0,0|1,0,0]=3 17360 B14R0.145 C=CCCCSC(C)CCCCCCC 62a_200011218727_100000757094 [0,2,0,0,0,0|1,0,0]=3 17361 B14R0.145 C=CCCOCCC(C)CCCCCC 34a_200011024964_100000754431 [0,2,0,0,0,0|1,0,0]=3 17362 B14R0.145 C=CCCOCCC(C)CCCCCC 7a_200011024964_100000754431 [0,2,0,0,0,0|1,0,0]=3 17363 B14R0.145 C=CCOCCC(=O)CCCCCCC 1458a_200011217002_100000210614 [0,2,0,0,0,0|1,0,1]=4 17364 B14R0.145 C=CCOCCOC(C)CCCCCC 34a_100000037705_100011215978 [0,2,0,0,0,0|2,0,0]=4 17365 B14R0.145 C=CCOCCOC(C)CCCCCC 7a_100000037705_100011215978 [0,2,0,0,0,0|2,0,0]=4 17366 B14R0.145 C=COCCCNC(C)CCCCCC 2230a_100000210767_100011215978 [0,2,0,0,0,0|2,0,0]=4 17367 B14R0.145 C=COCCCNC(C)CCCCCC 270004a_100000210767_100000210826 [0,2,0,0,0,0|2,0,0]=4 17368 B14R0.145 C=COCCCNC(C)CCCCCC 34a_100000210767_100011215978 [0,2,0,0,0,0|2,0,0]=4 17369 B14R0.145 C=COCCOC(C)CCCCCCC 34a_100000033082_200011218727 [0,2,0,0,0,0|2,0,0]=4 17370 B14R0.145 C=COCCOC(C)CCCCCCC 34a_200011215852_100000039644 [0,2,0,0,0,0|2,0,0]=4 17371 B14R0.145 C=COCCOC(C)CCCCCCC 7a_200011215852_100000039644 [0,2,0,0,0,0|2,0,0]=4 17372 B14R0.145 C=COCCSC(C)CCCCCCC 62a_100000039644_200011218727 [0,2,0,0,0,0|2,0,0]=4 17373 B14R0.145 C=COCCSC(C)CCCCCCC 62a_200011218727_100000039644 [0,2,0,0,0,0|2,0,0]=4 17374 B14R0.145 CC=CCCCOC(C)CCCCCC 34a_100020645299_100011215978 [0,2,0,0,0,0|1,0,1]=4 17375 B14R0.145 CC=CCOCCC(C)CCCCCC 34a_200011024964_100000070051 [0,2,0,0,0,0|1,0,1]=4 17376 B14R0.145 CC=CCOCCC(C)CCCCCC 7a_200011024964_100000070051 [0,2,0,0,0,0|1,0,1]=4 17377 B14R0.145 CCCCCCC(=O)CCCCCC#N 1458a_100102632555_100009813376 [0,2,0,0,0,0|1,0,1]=4 17378 B14R0.145 CCCCCCC(=O)CCCCCCF 1458a_100102632555_100015922095 [0,2,0,0,0,0|1,0,1]=4 17379 B14R0.145 CCCCCCC(=O)CCCCCCO 1458a_100011996774_100000210757 [0,2,0,0,0,0|0,0,2]=4 17380 B14R0.145 CCCCCCC(=O)CCCCCCO 1458a_100102632555_100000766143 [0,2,0,0,0,0|0,0,2]=4 17381 B14R0.145 CCCCCCC(=O)CCCCCOC 1458a_100011935119_100000210757 [0,2,0,0,0,0|2,0,0]=4 17382 B14R0.145 CCCCCCC(C)CCOCCC#N 7a_200011024964_100000184422 [0,2,0,0,0,0|1,0,1]=4 17383 B14R0.145 CCCCCCC(C)CCOCCCC 34a_200011024964_100000210210 [0,2,0,0,0,0|1,0,1]=4 17384 B14R0.145 CCCCCCC(C)CCOCCCC 7a_200011024964_100000210211 [0,2,0,0,0,0|1,0,1]=4 17385 B14R0.145 CCCCCCC(C)CCOCCCF 34a_200011024964_100011934791 [0,2,0,0,0,0|1,0,1]=4 17386 B14R0.145 CCCCCCC(C)CCOCCCF 7a_200011024964_100011934791 [0,2,0,0,0,0|1,0,1]=4 17387 B14R0.145 CCCCCCC(C)CCOCCCO 34a_200011024964_100000230001 [0,2,0,0,0,0|0,0,2]=4 17388 B14R0.145 CCCCCCC(C)CCOCCCO 7a_200011024964_100011215043 [0,2,0,0,0,0|0,0,2]=4 17389 B14R0.145 CCCCCCC(C)CCOCCOC 34a_200011024964_100011201679 [0,2,0,0,0,0|2,0,0]=4 17390 B14R0.145 CCCCCCC(C)CCOCCOC 7a_200011024964_100000233755 [0,2,0,0,0,0|2,0,0]=4 17391 B14R0.145 CCCCCCC(C)CCOCCSC 34a_200011024964_100000212216 [0,2,0,0,0,0|2,0,0]=4 17392 B14R0.145 CCCCCCC(C)CCOCCSC 7a_200011024964_100000212216 [0,2,0,0,0,0|2,0,0]=4 17393 B14R0.145 CCCCCCC(C)NCCCCC#N 2230a_100000210919_100000211819 [0,2,0,0,0,0|1,0,1]=4 17394 B14R0.145 CCCCCCC(C)NCCCCC#N 270004a_100000751965_100000210826 [0,2,0,0,0,0|1,0,1]=4 17395 B14R0.145 CCCCCCC(C)NCCCCC=O 2230a_100000210919_100000139335 [0,2,0,0,0,0|0,0,0]=2 17396 B14R0.145 CCCCCCC(C)NCCCCCF 2230a_100000210919_100000729378 [0,2,0,0,0,0|1,0,1]=4 17397 B14R0.145 CCCCCCC(C)NCCCCCF 34a_100000210919_100000729378 [0,2,0,0,0,0|1,0,1]=4 17398 B14R0.145 CCCCCCC(C)NCCCCCO 2230a_100000210919_100000746330 [0,2,0,0,0,0|0,0,2]=4 17399 B14R0.145 CCCCCCC(C)NCCCCCO 2230a_100000762737_100011215978 [0,2,0,0,0,0|0,0,2]=4 17400 B14R0.145 CCCCCCC(C)NCCCCCO 270004a_100000762737_100000210826 [0,2,0,0,0,0|0,0,2]=4 17401 B14R0.145 CCCCCCC(C)NCCCCCO 34a_100000210919_100000746330 [0,2,0,0,0,0|0,0,2]=4 17402 B14R0.145 CCCCCCC(C)NCCCCCO 34a_100000762737_100011215978 [0,2,0,0,0,0|0,0,2]=4 17403 B14R0.145 CCCCCCC(C)NCCCCOC 2230a_100000210919_100000730899 [0,2,0,0,0,0|2,0,0]=4 17404 B14R0.145 CCCCCCC(C)NCCCCOC 34a_100000210919_100000755781 [0,2,0,0,0,0|2,0,0]=4 17405 B14R0.145 CCCCCCC(C)OCCCCC#N 7a_100000210265_100000211819 [0,2,0,0,0,0|1,0,1]=4 17406 B14R0.145 CCCCCCC(C)OCCCCC=O 7a_100000210265_100000139335 [0,2,0,0,0,0|0,0,0]=2 17407 B14R0.145 CCCCCCC(C)OCCCCCBr 34a_100000746331_100011215978 [0,2,0,0,0,0|1,0,1]=4 17408 B14R0.145 CCCCCCC(C)OCCCCCBr 7a_100000746331_100011215978 [0,2,0,0,0,0|1,0,1]=4 17409 B14R0.145 CCCCCCC(C)OCCCCCCl 34a_100000746330_100011215978 [0,2,0,0,0,0|1,0,1]=4 17410 B14R0.145 CCCCCCC(C)OCCCCCCl 7a_100000746330_100011215978 [0,2,0,0,0,0|1,0,1]=4 17411 B14R0.145 CCCCCCC(C)OCCCCCF 34a_100000210265_100000729378 [0,2,0,0,0,0|1,0,1]=4 17412 B14R0.145 CCCCCCC(C)OCCCCCF 7a_100000210265_100000729378 [0,2,0,0,0,0|1,0,1]=4 17413 B14R0.145 CCCCCCC(C)OCCCCCI 34a_200012148887_100011215978 [0,2,0,0,0,0|1,0,1]=4 17414 B14R0.145 CCCCCCC(C)OCCCCCI 7a_200012148887_100011215978 [0,2,0,0,0,0|1,0,1]=4 17415 B14R0.145 CCCCCCC(C)OCCCCCN 34a_100000762737_100011215978 [0,2,0,0,0,0|1,0,1]=4 17416 B14R0.145 CCCCCCC(C)OCCCCCO 34a_100000210265_100000746330 [0,2,0,0,0,0|0,0,2]=4 17417 B14R0.145 CCCCCCC(C)OCCCCCO 7a_100000210265_100000746330 [0,2,0,0,0,0|0,0,2]=4 17418 B14R0.145 CCCCCCC(C)OCCCCOC 34a_100000210265_100000755781 [0,2,0,0,0,0|2,0,0]=4 17419 B14R0.145 CCCCCCC(C)OCCCCOC 34a_100000740925_100011215978 [0,2,0,0,0,0|2,0,0]=4 17420 B14R0.145 CCCCCCC(C)OCCCCOC 7a_100000210265_100000730899 [0,2,0,0,0,0|2,0,0]=4 17421 B14R0.145 CCCCCCC(C)OCCCCSC 34a_100011217163_100011215978 [0,2,0,0,0,0|2,0,0]=4 17422 B14R0.145 CCCCCCC(C)OCCCCSC 7a_100011217163_100011215978 [0,2,0,0,0,0|2,0,0]=4 17423 B14R0.145 CCCCCCC(C)SCCCCC#N 62a_100011215978_100000211819 [0,2,0,0,0,0|1,0,1]=4 17424 B14R0.145 CCCCCCC(C)SCCCCC#N 62a_100011219923_100011215978 [0,2,0,0,0,0|1,0,1]=4 17425 B14R0.145 CCCCCCC(C)SCCCCC=O 62a_100000139335_100011215978 [0,2,0,0,0,0|0,0,0]=2 17426 B14R0.145 CCCCCCC(C)SCCCCC=O 62a_100011215978_100000139335 [0,2,0,0,0,0|0,0,0]=2 17427 B14R0.145 CCCCCCC(C)SCCCCCF 62a_100000729378_100011215978 [0,2,0,0,0,0|1,0,1]=4 17428 B14R0.145 CCCCCCC(C)SCCCCCF 62a_100011215978_100000729378 [0,2,0,0,0,0|1,0,1]=4 17429 B14R0.145 CCCCCCC(C)SCCCCCO 62a_100000746330_100011215978 [0,2,0,0,0,0|0,0,2]=4 17430 B14R0.145 CCCCCCC(C)SCCCCCO 62a_100011215978_100000746330 [0,2,0,0,0,0|0,0,2]=4 17431 B14R0.145 CCCCCCC(C)SCCCCOC 62a_100000730899_100011215978 [0,2,0,0,0,0|2,0,0]=4 17432 B14R0.145 CCCCCCC(C)SCCCCOC 62a_100011215978_100000730899 [0,2,0,0,0,0|2,0,0]=4 17433 B14R0.145 CCCCCCCC(=O)CCCCC#N 1458a_100000211969_100000211819 [0,2,0,0,0,0|1,0,1]=4 17434 B14R0.145 CCCCCCCC(=O)CCCCCC 1458a_100000211969_100000210757 [0,2,0,0,0,0|1,0,1]=4 17435 B14R0.145 CCCCCCCC(=O)CCCCCC 1458a_100102632555_100000210614 [0,2,0,0,0,0|1,0,1]=4 17436 B14R0.145 CCCCCCCC(=O)CCCCCF 1458a_100000211969_100000729378 [0,2,0,0,0,0|1,0,1]=4 17437 B14R0.145 CCCCCCCC(=O)CCCCCO 1458a_100000211969_100000746330 [0,2,0,0,0,0|0,0,2]=4 17438 B14R0.145 CCCCCCCC(=O)CCCCCO 1458a_100102619762_100000210614 [0,2,0,0,0,0|0,0,2]=4 17439 B14R0.145 CCCCCCCC(=O)CCCCOC 1458a_100000211969_100000755781 [0,2,0,0,0,0|2,0,0]=4 17440 B14R0.145 CCCCCCCC(=O)OCSCC=O 62a_200015260668_100009852258 [0,2,0,0,0,0|1,0,1]=4 17441 B14R0.145 CCCCCCCC(C)NCCCCC 2230a_100000209983_200011218727 [0,2,0,0,0,0|1,0,1]=4 17442 B14R0.145 CCCCCCCC(C)NCCCCC 270004a_100000209983_100000210596 [0,2,0,0,0,0|1,0,1]=4 17443 B14R0.145 CCCCCCCC(C)NCCCCO 2230a_100000750430_200011218727 [0,2,0,0,0,0|0,0,2]=4 17444 B14R0.145 CCCCCCCC(C)NCCCCO 270004a_100000750430_100000210596 [0,2,0,0,0,0|0,0,2]=4 17445 B14R0.145 CCCCCCCC(C)NCCCCO 34a_100000750430_200011218727 [0,2,0,0,0,0|0,0,2]=4 17446 B14R0.145 CCCCCCCC(C)NCCCOC 270004a_100150723488_100000210596 [0,2,0,0,0,0|2,0,0]=4 17447 B14R0.145 CCCCCCCC(C)NCCCOC 34a_100150723488_200011218727 [0,2,0,0,0,0|2,0,0]=4 17448 B14R0.145 CCCCCCCC(C)NCCCSC 2230a_100000749238_200011218727 [0,2,0,0,0,0|2,0,0]=4 17449 B14R0.145 CCCCCCCC(C)NCCCSC 270004a_100000749238_100000210596 [0,2,0,0,0,0|2,0,0]=4 17450 B14R0.145 CCCCCCCC(C)OCCCC#N 7a_200011215852_100000687738 [0,2,0,0,0,0|1,0,1]=4 17451 B14R0.145 CCCCCCCC(C)OCCCC=O 7a_200011215852_200011292268 [0,2,0,0,0,0|0,0,0]=2 17452 B14R0.145 CCCCCCCC(C)OCCCCBr 34a_100011216708_200011218727 [0,2,0,0,0,0|1,0,1]=4 17453 B14R0.145 CCCCCCCC(C)OCCCCC 34a_100000210253_200011218727 [0,2,0,0,0,0|1,0,1]=4 17454 B14R0.145 CCCCCCCC(C)OCCCCC 34a_200011215852_100000718602 [0,2,0,0,0,0|1,0,1]=4 17455 B14R0.145 CCCCCCCC(C)OCCCCC 7a_100000210253_200011218727 [0,2,0,0,0,0|1,0,1]=4 17456 B14R0.145 CCCCCCCC(C)OCCCCC 7a_200011215852_100000210326 [0,2,0,0,0,0|1,0,1]=4 17457 B14R0.145 CCCCCCCC(C)OCCCCCl 34a_100000210776_200011218727 [0,2,0,0,0,0|1,0,1]=4 17458 B14R0.145 CCCCCCCC(C)OCCCCCl 7a_100000210776_200011218727 [0,2,0,0,0,0|1,0,1]=4 17459 B14R0.145 CCCCCCCC(C)OCCCCF 34a_100011995726_200011218727 [0,2,0,0,0,0|1,0,1]=4 17460 B14R0.145 CCCCCCCC(C)OCCCCF 34a_200011215852_100000729493 [0,2,0,0,0,0|1,0,1]=4 17461 B14R0.145 CCCCCCCC(C)OCCCCF 7a_100011995726_200011218727 [0,2,0,0,0,0|1,0,1]=4 17462 B14R0.145 CCCCCCCC(C)OCCCCF 7a_200011215852_100000729493 [0,2,0,0,0,0|1,0,1]=4 17463 B14R0.145 CCCCCCCC(C)OCCCCI 34a_200012148704_200011218727 [0,2,0,0,0,0|1,0,1]=4 17464 B14R0.145 CCCCCCCC(C)OCCCCN 34a_100000750430_200011218727 [0,2,0,0,0,0|1,0,1]=4 17465 B14R0.145 CCCCCCCC(C)OCCCCO 34a_200011215852_100011216708 [0,2,0,0,0,0|0,0,2]=4 17466 B14R0.145 CCCCCCCC(C)OCCCCO 7a_200011215852_100000210776 [0,2,0,0,0,0|0,0,2]=4 17467 B14R0.145 CCCCCCCC(C)OCCCNC 34a_100000213112_200011218727 [0,2,0,0,0,0|2,0,0]=4 17468 B14R0.145 CCCCCCCC(C)OCCCOC 34a_100000740835_200011218727 [0,2,0,0,0,0|2,0,0]=4 17469 B14R0.145 CCCCCCCC(C)OCCCOC 34a_200011215852_100000740836 [0,2,0,0,0,0|2,0,0]=4 17470 B14R0.145 CCCCCCCC(C)OCCCOC 7a_200011215852_100000740836 [0,2,0,0,0,0|2,0,0]=4 17471 B14R0.145 CCCCCCCC(C)OCCCSC 34a_100000690336_200011218727 [0,2,0,0,0,0|2,0,0]=4 17472 B14R0.145 CCCCCCCC(C)OCCCSC 7a_100000690336_200011218727 [0,2,0,0,0,0|2,0,0]=4 17473 B14R0.145 CCCCCCCC(C)SCCCC#N 62a_100000687738_200011218727 [0,2,0,0,0,0|1,0,1]=4 17474 B14R0.145 CCCCCCCC(C)SCCCC#N 62a_200011218727_100000687738 [0,2,0,0,0,0|1,0,1]=4 17475 B14R0.145 CCCCCCCC(C)SCCCC=O 62a_200011218727_200011292268 [0,2,0,0,0,0|0,0,0]=2 17476 B14R0.145 CCCCCCCC(C)SCCCC=O 62a_200011292268_200011218727 [0,2,0,0,0,0|0,0,0]=2 17477 B14R0.145 CCCCCCCC(C)SCCCCC 62a_100000210326_200011218727 [0,2,0,0,0,0|1,0,1]=4 17478 B14R0.145 CCCCCCCC(C)SCCCCC 62a_200011218727_100000210326 [0,2,0,0,0,0|1,0,1]=4 17479 B14R0.145 CCCCCCCC(C)SCCCCF 62a_100000729493_200011218727 [0,2,0,0,0,0|1,0,1]=4 17480 B14R0.145 CCCCCCCC(C)SCCCCF 62a_200011218727_100000729493 [0,2,0,0,0,0|1,0,1]=4 17481 B14R0.145 CCCCCCCC(C)SCCCCO 62a_100000210776_200011218727 [0,2,0,0,0,0|0,0,2]=4 17482 B14R0.145 CCCCCCCC(C)SCCCCO 62a_200011218727_100000210776 [0,2,0,0,0,0|0,0,2]=4 17483 B14R0.145 CCCCCCCC(C)SCCCOC 62a_100000709357_200011218727 [0,2,0,0,0,0|2,0,0]=4 17484 B14R0.145 CCCCCCCC(C)SCCCOC 62a_200011218727_100000709357 [0,2,0,0,0,0|2,0,0]=4 17485 B14R0.145 CCCCCCCN(C)CCCCC#N 2230a_100000228206_100000211819 [0,2,0,0,0,0|1,0,1]=4 17486 B14R0.145 CCCCCCCN(C)CCCCC#N 269982a_100000228206_100011219923 [0,2,0,0,0,0|1,0,1]=4 17487 B14R0.145 CCCCCCCN(C)CCCCC=O 2230a_100000228206_100000139335 [0,2,0,0,0,0|0,0,0]=2 17488 B14R0.145 CCCCCCCN(C)CCCCC=O 269982a_100000228206_100000139335 [0,2,0,0,0,0|0,0,0]=2 17489 B14R0.145 CCCCCCCN(C)CCCCCC 2230a_100000228206_100000210314 [0,2,0,0,0,0|1,0,1]=4 17490 B14R0.145 CCCCCCCN(C)CCCCCC 2230a_106256046315_100000210681 [0,2,0,0,0,0|1,0,1]=4 17491 B14R0.145 CCCCCCCN(C)CCCCCC 269982a_100000228206_100000210757 [0,2,0,0,0,0|1,0,1]=4 17492 B14R0.145 CCCCCCCN(C)CCCCCC 269982a_106256046315_100000210681 [0,2,0,0,0,0|1,0,1]=4 17493 B14R0.145 CCCCCCCN(C)CCCCCF 2230a_100000228206_100000729378 [0,2,0,0,0,0|1,0,1]=4 17494 B14R0.145 CCCCCCCN(C)CCCCCF 269982a_100000228206_100000729378 [0,2,0,0,0,0|1,0,1]=4 17495 B14R0.145 CCCCCCCN(C)CCCCCO 2230a_100000228206_100000746330 [0,2,0,0,0,0|0,0,2]=4 17496 B14R0.145 CCCCCCCN(C)CCCCCO 2230a_100000722520_100000210681 [0,2,0,0,0,0|0,0,2]=4 17497 B14R0.145 CCCCCCCN(C)CCCCCO 269982a_100000228206_100000746330 [0,2,0,0,0,0|0,0,2]=4 17498 B14R0.145 CCCCCCCN(C)CCCCCO 269982a_100000722520_100000210681 [0,2,0,0,0,0|0,0,2]=4 17499 B14R0.145 CCCCCCCN(C)CCCCOC 2230a_100000228206_100000730899 [0,2,0,0,0,0|2,0,0]=4 17500 B14R0.145 CCCCCCCN(C)CCCCOC 269982a_100000228206_100000730899 [0,2,0,0,0,0|2,0,0]=4 17501 B14R0.145 CCCCCCN(C)CCCCCC#N 2230a_106256046315_100009813376 [0,2,0,0,0,0|1,0,1]=4 17502 B14R0.145 CCCCCCN(C)CCCCCC#N 269982a_106256046315_100009813376 [0,2,0,0,0,0|1,0,1]=4 17503 B14R0.145 CCCCCCN(C)CCCCCC=O 2230a_106256046315_100000139337 [0,2,0,0,0,0|0,0,0]=2 17504 B14R0.145 CCCCCCN(C)CCCCCC=O 269982a_106256046315_100000139337 [0,2,0,0,0,0|0,0,0]=2 17505 B14R0.145 CCCCCCN(C)CCCCCCF 2230a_106256046315_100015922095 [0,2,0,0,0,0|1,0,1]=4 17506 B14R0.145 CCCCCCN(C)CCCCCCF 269982a_106256046315_100015922095 [0,2,0,0,0,0|1,0,1]=4 17507 B14R0.145 CCCCCCN(C)CCCCCCO 2230a_106256046315_100000766143 [0,2,0,0,0,0|0,0,2]=4 17508 B14R0.145 CCCCCCN(C)CCCCCCO 269982a_106256046315_100000766143 [0,2,0,0,0,0|0,0,2]=4 17509 B14R0.145 CCCCCCNC(C)CCCCCC 2230a_100000210581_100011215978 [0,2,0,0,0,0|1,0,1]=4 17510 B14R0.145 CCCCCCNC(C)CCCCCC 2230a_100000210919_100000210314 [0,2,0,0,0,0|1,0,1]=4 17511 B14R0.145 CCCCCCNC(C)CCCCCC 270004a_100000210581_100000210826 [0,2,0,0,0,0|1,0,1]=4 17512 B14R0.145 CCCCCCNC(C)CCCCCC 34a_100000210919_100000210314 [0,2,0,0,0,0|1,0,1]=4 17513 B14R0.145 CCCCCCOC(C)CCCCCC 34a_100000210259_100011215978 [0,2,0,0,0,0|1,0,1]=4 17514 B14R0.145 CCCCCCOC(C)CCCCCC 34a_100000210265_100000210314 [0,2,0,0,0,0|1,0,1]=4 17515 B14R0.145 CCCCCCOC(C)CCCCCC 7a_100000210259_100011215978 [0,2,0,0,0,0|1,0,1]=4 17516 B14R0.145 CCCCCCOC(C)CCCCCC 7a_100000210265_100000210314 [0,2,0,0,0,0|1,0,1]=4 17517 B14R0.145 CCCCCCSC(C)CCCCCC 62a_100000210314_100011215978 [0,2,0,0,0,0|1,0,1]=4 17518 B14R0.145 CCCCCCSC(C)CCCCCC 62a_100011215978_100000210757 [0,2,0,0,0,0|1,0,1]=4 17519 B14R0.145 CCCCCNC(=O)CSCCCC=O 62a_100000230301_200011292268 [0,2,0,0,0,0|1,0,1]=4 17520 B14R0.145 CCCCCNC(=O)CSCCCC=O 62a_200011292268_100000230301 [0,2,0,0,0,0|1,0,1]=4 17521 B14R0.145 CCCCOCC(C)OCCCCC=O 7a_100011217071_100000139335 [0,2,0,0,0,0|1,0,0]=3 17522 B14R0.145 CN(CCCCCC=O)CCOCCO 2230a_100000228057_100000139337 [0,2,0,0,0,0|2,0,0]=4 17523 B14R0.145 CN(CCCCCC=O)CCOCCO 269982a_100000228057_100000139337 [0,2,0,0,0,0|2,0,0]=4 17524 B14R0.145 CN(CCCCCO)CCCCCC=O 2230a_100000722520_100000139337 [0,2,0,0,0,0|1,0,0]=3 17525 B14R0.145 CN(CCCCCO)CCCCCC=O 269982a_100000722520_100000139337 [0,2,0,0,0,0|1,0,0]=3 17526 B14R0.953 C#CC(CCCCCBr)OCCCC=O 7a_200010408556_200011292268 [0,2,0,0,0,0|2,0,0]=4 17527 B14R0.953 C=CC(CCCCCC)OCCCC=O 7a_200011215977_200011292268 [0,2,0,0,0,0|1,0,0]=3 17528 B14R0.953 C=CCCCNC(CC)CCCCCC 270004a_100000700776_100011219640 [0,2,0,0,0,0|2,0,0]=4 17529 B14R0.953 C=CCCCOC(C=C)CCCCCC 34a_200011215977_100000757094 [0,2,0,0,0,0|2,0,0]=4 17530 B14R0.953 C=CCCCOC(C=C)CCCCCC 7a_200011215977_100000757094 [0,2,0,0,0,0|2,0,0]=4 17531 B14R0.953 C=CCCCOC(CC)CCCCCC 34a_100011215785_100000757094 [0,2,0,0,0,0|2,0,0]=4 17532 B14R0.953 C=CCCCOC(CC)CCCCCC 7a_100011215785_100000757094 [0,2,0,0,0,0|2,0,0]=4 17533 B14R0.953 CCCCCCC(CC)OCCCC=O 7a_100011215785_200011292268 [0,2,0,0,0,0|1,0,0]=3 17534 B14R0.953 CCCCCCC(CCCCCC)NC 2230a_100012281684_200000210301 [0,2,0,0,0,0|1,0,1]=4 17535 B14R0.953 CCCCCCC(CCCCCC)NC 270004a_106832991635_100000210595 [0,2,0,0,0,0|1,0,1]=4 17536 B14R0.953 CCCCCCC(CCCCCC)NC 34a_100012281684_200000210301 [0,2,0,0,0,0|1,0,1]=4 17537 B14R0.953 CCCCCCC(CCCCCC)N[13CH3] 2230a_100012281684_200025704644 [0,2,0,0,0,0|1,0,1]=4 17538 B14R0.953 CCCCCCC(CCCCCC)N[13CH3] 34a_100012281684_200025704644 [0,2,0,0,0,0|1,0,1]=4 17539 B14R0.953 CCCCCCC(CCCCCC)OC 34a_100012225636_200000210301 [0,2,0,0,0,0|1,0,1]=4 17540 B14R0.953 CCCCCCC(CCCCCC)OC 7a_100012225636_200000210301 [0,2,0,0,0,0|1,0,1]=4 17541 B14R0.953 CCCCCCC(CCCCCC)O[13CH3] 34a_100012225636_200025704644 [0,2,0,0,0,0|1,0,1]=4 17542 B14R0.953 CCCCCCC(CCCCCC)O[13CH3] 7a_100012225636_200025704644 [0,2,0,0,0,0|1,0,1]=4 17543 B14R0.2151 C=CCCCOC(C)(C)CCCCCC 7a_200011995690_100000757094 [0,2,0,0,0,0|2,0,0]=4 17544 B14R0.2151 CC(C)(CCCCCBr)OCCCC=O 7a_100010402123_200011292268 [0,2,0,0,0,0|2,0,0]=4 17545 B14R0.2151 CCCCCCC(C)(C)OCCCC=O 7a_200011995690_200011292268 [0,2,0,0,0,0|1,0,0]=3 17546 B14R0.2256 C=CCCCC(=O)C(C)CCCCCC 1458a_100000766728_100011215978 [0,2,0,0,0,0|1,0,1]=4 17547 B14R0.2256 C=CCCCC(=O)C(O)CCCCCC 1458a_100011215828_100000757094 [0,2,0,0,0,0|1,0,1]=4 17548 B14R0.2256 C=CCCCCC(=O)C(C)CCCCC 1458a_100011215552_200011218191 [0,2,0,0,0,0|1,0,1]=4 17549 B14R0.2256 C=CCCCCC(=O)C(C)CCCCC 1458a_100011215998_100011215482 [0,2,0,0,0,0|1,0,1]=4 17550 B14R0.2256 C=CCCCCN(C)C(C)CCCCC 2230a_100012000471_200011218191 [0,2,0,0,0,0|2,0,0]=4 17551 B14R0.2256 C=CCCCCN(C)C(C)CCCCC 269982a_100012000471_200011218191 [0,2,0,0,0,0|2,0,0]=4 17552 B14R0.2256 C=CCCCCN(C)C(C)CCCCC 270004a_100012000471_100000211708 [0,2,0,0,0,0|2,0,0]=4 17553 B14R0.392 C#CCCCCCCCCCCOCC 34a_100000054667_100000210202 [0,2,0,0,0,0|1,0,1]=4 17554 B14R0.392 C#CCCCCCCCCCCOCC 7a_100000054667_100000210202 [0,2,0,0,0,0|1,0,1]=4 17555 B14R0.392 C#CCCCCCCCCCCOCF 34a_100000054667_100015361967 [0,2,0,0,0,0|1,0,1]=4 17556 B14R0.392 C#CCCCCCCCCCCOCF 7a_100000054667_100015361967 [0,2,0,0,0,0|1,0,1]=4 17557 B14R0.392 C#CCCCCCCCCCOCC=C 34a_100000034437_100015514636 [0,2,0,0,0,0|1,0,1]=4 17558 B14R0.392 C#CCCCCCCCCCOCC=C 7a_100000034437_100015514636 [0,2,0,0,0,0|1,0,1]=4 17559 B14R0.392 C#CCCCCCCCCCOCC=O 34a_100000034437_200009817547 [0,2,0,0,0,0|0,0,1]=3 17560 B14R0.392 C#CCCCCCCCCCOCC=O 7a_100000034437_200015260668 [0,2,0,0,0,0|0,0,1]=3 17561 B14R0.392 C#CCCCCCCCCCOCCC 34a_100000034437_100000210303 [0,2,0,0,0,0|1,0,1]=4 17562 B14R0.392 C#CCCCCCCCCCOCCC 7a_100000034437_100000210303 [0,2,0,0,0,0|1,0,1]=4 17563 B14R0.392 C#CCCCCCCCCCOCCF 34a_100000034437_100011217306 [0,2,0,0,0,0|1,0,1]=4 17564 B14R0.392 C#CCCCCCCCCCOCCF 7a_100000034437_100011217306 [0,2,0,0,0,0|1,0,1]=4 17565 B14R0.392 C#CCCCCCCCCCOCCO 34a_100000034437_100000211926 [0,2,0,0,0,0|1,0,1]=4 17566 B14R0.392 C#CCCCCCCCCCOCCO 7a_100000034437_100000211926 [0,2,0,0,0,0|1,0,1]=4 17567 B14R0.392 C#CCCCCCCCCCOCSC 34a_100000034437_100011218213 [0,2,0,0,0,0|1,0,1]=4 17568 B14R0.392 C#CCCCCCCCCOCCC=C 34a_100000065265_100000754431 [0,2,0,0,0,0|1,0,1]=4 17569 B14R0.392 C#CCCCCCCCCOCCC=C 7a_100000065265_100000754431 [0,2,0,0,0,0|1,0,1]=4 17570 B14R0.392 C#CCCCCCCCCOCCCC 34a_100000065265_100000210210 [0,2,0,0,0,0|1,0,1]=4 17571 B14R0.392 C#CCCCCCCCCOCCCC 7a_100000065265_100000210211 [0,2,0,0,0,0|1,0,1]=4 17572 B14R0.392 C#CCCCCCCCCOCCCF 34a_100000065265_100011934791 [0,2,0,0,0,0|1,0,1]=4 17573 B14R0.392 C#CCCCCCCCCOCCCF 7a_100000065265_100011934791 [0,2,0,0,0,0|1,0,1]=4 17574 B14R0.392 C#CCCCCCCCCOCCCO 34a_100000065265_100000230001 [0,2,0,0,0,0|1,0,1]=4 17575 B14R0.392 C#CCCCCCCCCOCCCO 7a_100000065265_100011215043 [0,2,0,0,0,0|1,0,1]=4 17576 B14R0.392 C#CCCCCCCCCOCCOC 34a_100000065265_100011201679 [0,2,0,0,0,0|1,0,1]=4 17577 B14R0.392 C#CCCCCCCCCOCCOC 7a_100000065265_100000233755 [0,2,0,0,0,0|1,0,1]=4 17578 B14R0.392 C#CCCCCCCCCOCCSC 34a_100000065265_100000212216 [0,2,0,0,0,0|1,0,1]=4 17579 B14R0.392 C#CCCCCCCCCOCCSC 7a_100000065265_100000212216 [0,2,0,0,0,0|1,0,1]=4 17580 B14R0.392 C#CCCCCCCCNCCCC=C 2230a_100000700776_100153394163 [0,2,0,0,0,0|1,0,1]=4 17581 B14R0.392 C#CCCCCCCCNCCCC=C 34a_100000700776_100153394163 [0,2,0,0,0,0|1,0,1]=4 17582 B14R0.392 C#CCCCCCCCNCCCCC 2230a_100000209983_100153394163 [0,2,0,0,0,0|1,0,1]=4 17583 B14R0.392 C#CCCCCCCCNCCCCO 2230a_100000750430_100153394163 [0,2,0,0,0,0|1,0,1]=4 17584 B14R0.392 C#CCCCCCCCNCCCCO 34a_100000750430_100153394163 [0,2,0,0,0,0|1,0,1]=4 17585 B14R0.392 C#CCCCCCCCNCCCOC 34a_100150723488_100153394163 [0,2,0,0,0,0|1,0,1]=4 17586 B14R0.392 C#CCCCCCCCNCCCSC 2230a_100000749238_100153394163 [0,2,0,0,0,0|1,0,1]=4 17587 B14R0.392 C#CCCCCCCCNCCOCC 2230a_102516460346_100153394163 [0,2,0,0,0,0|1,0,1]=4 17588 B14R0.392 C#CCCCCCCCNCCOCC 34a_102516460346_100153394163 [0,2,0,0,0,0|1,0,1]=4 17589 B14R0.392 C#CCCCCCCCNCCSCC 2230a_100000106463_100153394163 [0,2,0,0,0,0|1,0,1]=4 17590 B14R0.392 C#CCCCCCCCOCCCC=C 34a_100000054614_100000757094 [0,2,0,0,0,0|1,0,1]=4 17591 B14R0.392 C#CCCCCCCCOCCCC=C 34a_100000758997_100153394163 [0,2,0,0,0,0|1,0,1]=4 17592 B14R0.392 C#CCCCCCCCOCCCC=C 7a_100000054614_100000757094 [0,2,0,0,0,0|1,0,1]=4 17593 B14R0.392 C#CCCCCCCCOCCCC=C 7a_100000758997_100153394163 [0,2,0,0,0,0|1,0,1]=4 17594 B14R0.392 C#CCCCCCCCOCCCC=O 7a_100000054614_200011292268 [0,2,0,0,0,0|0,0,1]=3 17595 B14R0.392 C#CCCCCCCCOCCCCBr 34a_100011216708_100153394163 [0,2,0,0,0,0|1,0,1]=4 17596 B14R0.392 C#CCCCCCCCOCCCCC 34a_100000054614_100000718602 [0,2,0,0,0,0|1,0,1]=4 17597 B14R0.392 C#CCCCCCCCOCCCCC 34a_100000210253_100153394163 [0,2,0,0,0,0|1,0,1]=4 17598 B14R0.392 C#CCCCCCCCOCCCCC 7a_100000054614_100000210326 [0,2,0,0,0,0|1,0,1]=4 17599 B14R0.392 C#CCCCCCCCOCCCCC 7a_100000210253_100153394163 [0,2,0,0,0,0|1,0,1]=4 17600 B14R0.392 C#CCCCCCCCOCCCCCl 34a_100000210776_100153394163 [0,2,0,0,0,0|1,0,1]=4 17601 B14R0.392 C#CCCCCCCCOCCCCCl 7a_100000210776_100153394163 [0,2,0,0,0,0|1,0,1]=4 17602 B14R0.392 C#CCCCCCCCOCCCCF 34a_100000054614_100000729493 [0,2,0,0,0,0|1,0,1]=4 17603 B14R0.392 C#CCCCCCCCOCCCCF 34a_100011995726_100153394163 [0,2,0,0,0,0|1,0,1]=4 17604 B14R0.392 C#CCCCCCCCOCCCCF 7a_100000054614_100000729493 [0,2,0,0,0,0|1,0,1]=4 17605 B14R0.392 C#CCCCCCCCOCCCCF 7a_100011995726_100153394163 [0,2,0,0,0,0|1,0,1]=4 17606 B14R0.392 C#CCCCCCCCOCCCCI 34a_200012148704_100153394163 [0,2,0,0,0,0|1,0,1]=4 17607 B14R0.392 C#CCCCCCCCOCCCCN 34a_100000750430_100153394163 [0,2,0,0,0,0|1,0,1]=4 17608 B14R0.392 C#CCCCCCCCOCCCCO 34a_100000054614_100011216708 [0,2,0,0,0,0|1,0,1]=4 17609 B14R0.392 C#CCCCCCCCOCCCCO 7a_100000054614_100000210776 [0,2,0,0,0,0|1,0,1]=4 17610 B14R0.392 C#CCCCCCCCOCCCNC 34a_100000213112_100153394163 [0,2,0,0,0,0|1,0,1]=4 17611 B14R0.392 C#CCCCCCCCOCCCOC 34a_100000054614_100000740836 [0,2,0,0,0,0|1,0,1]=4 17612 B14R0.392 C#CCCCCCCCOCCCOC 34a_100000740835_100153394163 [0,2,0,0,0,0|1,0,1]=4 17613 B14R0.392 C#CCCCCCCCOCCCOC 7a_100000054614_100000740836 [0,2,0,0,0,0|1,0,1]=4 17614 B14R0.392 C#CCCCCCCCOCCCSC 34a_100000690336_100153394163 [0,2,0,0,0,0|1,0,1]=4 17615 B14R0.392 C#CCCCCCCCOCCCSC 7a_100000690336_100153394163 [0,2,0,0,0,0|1,0,1]=4 17616 B14R0.392 C#CCCCCCCCOCCOCC 34a_100000054614_100000210147 [0,2,0,0,0,0|1,0,1]=4 17617 B14R0.392 C#CCCCCCCCOCCOCC 34a_100000210136_100153394163 [0,2,0,0,0,0|1,0,1]=4 17618 B14R0.392 C#CCCCCCCCOCCOCC 7a_100000054614_100011215890 [0,2,0,0,0,0|1,0,1]=4 17619 B14R0.392 C#CCCCCCCCOCCOCC 7a_100000210136_100153394163 [0,2,0,0,0,0|1,0,1]=4 17620 B14R0.392 C#CCCCCCCCOCCSCC 34a_100000054614_100000757381 [0,2,0,0,0,0|1,0,1]=4 17621 B14R0.392 C#CCCCCCCCOCCSCC 34a_100000212035_100153394163 [0,2,0,0,0,0|1,0,1]=4 17622 B14R0.392 C#CCCCCCCCOCCSCC 7a_100000054614_100000757381 [0,2,0,0,0,0|1,0,1]=4 17623 B14R0.392 C#CCCCCCCCOCCSCC 7a_100000212035_100153394163 [0,2,0,0,0,0|1,0,1]=4 17624 B14R0.392 C#CCCCCCCCSCCCC=C 62a_100011713584_100153394163 [0,2,0,0,0,0|1,0,1]=4 17625 B14R0.392 C#CCCCCCCCSCCCC=C 62a_100153394163_100000757094 [0,2,0,0,0,0|1,0,1]=4 17626 B14R0.392 C#CCCCCCCCSCCCC=O 62a_100153394163_200011292268 [0,2,0,0,0,0|0,0,1]=3 17627 B14R0.392 C#CCCCCCCCSCCCC=O 62a_200011292268_100153394163 [0,2,0,0,0,0|0,0,1]=3 17628 B14R0.392 C#CCCCCCCCSCCCCC 62a_100000210326_100153394163 [0,2,0,0,0,0|1,0,1]=4 17629 B14R0.392 C#CCCCCCCCSCCCCC 62a_100153394163_100000210326 [0,2,0,0,0,0|1,0,1]=4 17630 B14R0.392 C#CCCCCCCCSCCCCF 62a_100000729493_100153394163 [0,2,0,0,0,0|1,0,1]=4 17631 B14R0.392 C#CCCCCCCCSCCCCF 62a_100153394163_100000729493 [0,2,0,0,0,0|1,0,1]=4 17632 B14R0.392 C#CCCCCCCCSCCCCO 62a_100000210776_100153394163 [0,2,0,0,0,0|1,0,1]=4 17633 B14R0.392 C#CCCCCCCCSCCCCO 62a_100153394163_100000210776 [0,2,0,0,0,0|1,0,1]=4 17634 B14R0.392 C#CCCCCCCCSCCCOC 62a_100000709357_100153394163 [0,2,0,0,0,0|1,0,1]=4 17635 B14R0.392 C#CCCCCCCCSCCCOC 62a_100153394163_100000709357 [0,2,0,0,0,0|1,0,1]=4 17636 B14R0.392 C#CCCCCCCCSCCOCC 62a_100000210147_100153394163 [0,2,0,0,0,0|1,0,1]=4 17637 B14R0.392 C#CCCCCCCCSCCOCC 62a_100153394163_100011215890 [0,2,0,0,0,0|1,0,1]=4 17638 B14R0.392 C#CCCCCCCCSCCSCC 62a_100000757381_100153394163 [0,2,0,0,0,0|1,0,1]=4 17639 B14R0.392 C#CCCCCCCCSCCSCC 62a_100153394163_100000757381 [0,2,0,0,0,0|1,0,1]=4 17640 B14R0.392 C#CCCCCCCNCCCCC=C 2230a_100000703577_100012276617 [0,2,0,0,0,0|1,0,1]=4 17641 B14R0.392 C#CCCCCCCNCCCCC=C 34a_100000703577_100012276617 [0,2,0,0,0,0|1,0,1]=4 17642 B14R0.392 C#CCCCCCCNCCCCCC 2230a_100000210581_100012276617 [0,2,0,0,0,0|1,0,1]=4 17643 B14R0.392 C#CCCCCCCNCCCCCO 2230a_100000762737_100012276617 [0,2,0,0,0,0|1,0,1]=4 17644 B14R0.392 C#CCCCCCCNCCCCCO 34a_100000762737_100012276617 [0,2,0,0,0,0|1,0,1]=4 17645 B14R0.392 C#CCCCCCCNCCCOCC 2230a_100000210961_100012276617 [0,2,0,0,0,0|1,0,1]=4 17646 B14R0.392 C#CCCCCCCNCCCOCC 34a_100000210961_100012276617 [0,2,0,0,0,0|1,0,1]=4 17647 B14R0.392 C#CCCCCCCNCCOCCC 2230a_100161115042_100012276617 [0,2,0,0,0,0|1,0,1]=4 17648 B14R0.392 C#CCCCCCCNCCOCCC 34a_100161115042_100012276617 [0,2,0,0,0,0|1,0,1]=4 17649 B14R0.392 C#CCCCCCCNCCSCCC 2230a_100020603323_100012276617 [0,2,0,0,0,0|1,0,1]=4 17650 B14R0.392 C#CCCCCCCOCCCCC=C 34a_100000766645_100012276617 [0,2,0,0,0,0|1,0,1]=4 17651 B14R0.392 C#CCCCCCCOCCCCC=C 34a_100011217361_100011215482 [0,2,0,0,0,0|1,0,1]=4 17652 B14R0.392 C#CCCCCCCOCCCCC=C 7a_100000766645_100012276617 [0,2,0,0,0,0|1,0,1]=4 17653 B14R0.392 C#CCCCCCCOCCCCC=C 7a_100011217361_100011215482 [0,2,0,0,0,0|1,0,1]=4 17654 B14R0.392 C#CCCCCCCOCCCCC=O 7a_100011217361_100000139335 [0,2,0,0,0,0|0,0,1]=3 17655 B14R0.392 C#CCCCCCCOCCCCCBr 34a_100000746331_100012276617 [0,2,0,0,0,0|1,0,1]=4 17656 B14R0.392 C#CCCCCCCOCCCCCBr 7a_100000746331_100012276617 [0,2,0,0,0,0|1,0,1]=4 17657 B14R0.392 C#CCCCCCCOCCCCCC 34a_100000210259_100012276617 [0,2,0,0,0,0|1,0,1]=4 17658 B14R0.392 C#CCCCCCCOCCCCCC 34a_100011217361_100000210314 [0,2,0,0,0,0|1,0,1]=4 17659 B14R0.392 C#CCCCCCCOCCCCCC 7a_100000210259_100012276617 [0,2,0,0,0,0|1,0,1]=4 17660 B14R0.392 C#CCCCCCCOCCCCCC 7a_100011217361_100000210314 [0,2,0,0,0,0|1,0,1]=4 17661 B14R0.392 C#CCCCCCCOCCCCCCl 34a_100000746330_100012276617 [0,2,0,0,0,0|1,0,1]=4 17662 B14R0.392 C#CCCCCCCOCCCCCCl 7a_100000746330_100012276617 [0,2,0,0,0,0|1,0,1]=4 17663 B14R0.392 C#CCCCCCCOCCCCCF 34a_100011217361_100000729378 [0,2,0,0,0,0|1,0,1]=4 17664 B14R0.392 C#CCCCCCCOCCCCCF 7a_100011217361_100000729378 [0,2,0,0,0,0|1,0,1]=4 17665 B14R0.392 C#CCCCCCCOCCCCCI 34a_200012148887_100012276617 [0,2,0,0,0,0|1,0,1]=4 17666 B14R0.392 C#CCCCCCCOCCCCCI 7a_200012148887_100012276617 [0,2,0,0,0,0|1,0,1]=4 17667 B14R0.392 C#CCCCCCCOCCCCCN 34a_100000762737_100012276617 [0,2,0,0,0,0|1,0,1]=4 17668 B14R0.392 C#CCCCCCCOCCCCCO 34a_100011217361_100000746330 [0,2,0,0,0,0|1,0,1]=4 17669 B14R0.392 C#CCCCCCCOCCCCCO 7a_100011217361_100000746330 [0,2,0,0,0,0|1,0,1]=4 17670 B14R0.392 C#CCCCCCCOCCCCOC 34a_100000740925_100012276617 [0,2,0,0,0,0|1,0,1]=4 17671 B14R0.392 C#CCCCCCCOCCCCOC 34a_100011217361_100000755781 [0,2,0,0,0,0|1,0,1]=4 17672 B14R0.392 C#CCCCCCCOCCCCOC 7a_100011217361_100000730899 [0,2,0,0,0,0|1,0,1]=4 17673 B14R0.392 C#CCCCCCCOCCCCSC 34a_100011217163_100012276617 [0,2,0,0,0,0|1,0,1]=4 17674 B14R0.392 C#CCCCCCCOCCCCSC 7a_100011217163_100012276617 [0,2,0,0,0,0|1,0,1]=4 17675 B14R0.392 C#CCCCCCCOCCCOCC 34a_100000757476_100012276617 [0,2,0,0,0,0|1,0,1]=4 17676 B14R0.392 C#CCCCCCCOCCCOCC 34a_100011217361_100012232248 [0,2,0,0,0,0|1,0,1]=4 17677 B14R0.392 C#CCCCCCCOCCCOCC 7a_100000757476_100012276617 [0,2,0,0,0,0|1,0,1]=4 17678 B14R0.392 C#CCCCCCCOCCCOCC 7a_100011217361_100012232248 [0,2,0,0,0,0|1,0,1]=4 17679 B14R0.392 C#CCCCCCCOCCCSCC 34a_100011216438_100012276617 [0,2,0,0,0,0|1,0,1]=4 17680 B14R0.392 C#CCCCCCCOCCCSCC 7a_100011216438_100012276617 [0,2,0,0,0,0|1,0,1]=4 17681 B14R0.392 C#CCCCCCCOCCOCCC 34a_100000752267_100012276617 [0,2,0,0,0,0|1,0,1]=4 17682 B14R0.392 C#CCCCCCCOCCOCCC 34a_100011217361_100011215938 [0,2,0,0,0,0|1,0,1]=4 17683 B14R0.392 C#CCCCCCCOCCOCCC 7a_100000752267_100012276617 [0,2,0,0,0,0|1,0,1]=4 17684 B14R0.392 C#CCCCCCCOCCOCCC 7a_100011217361_100011215938 [0,2,0,0,0,0|1,0,1]=4 17685 B14R0.392 C#CCCCCCCOCCSCCC 34a_200000230433_100012276617 [0,2,0,0,0,0|1,0,1]=4 17686 B14R0.392 C#CCCCCCCOCCSCCC 7a_200000230433_100012276617 [0,2,0,0,0,0|1,0,1]=4 17687 B14R0.392 C#CCCCCCCOCOCCCC 34a_100011217361_100011995733 [0,2,0,0,0,0|1,0,1]=4 17688 B14R0.392 C#CCCCCCCSCCCCC=C 62a_100011215482_100012276617 [0,2,0,0,0,0|1,0,1]=4 17689 B14R0.392 C#CCCCCCCSCCCCC=C 62a_100012276617_100011215482 [0,2,0,0,0,0|1,0,1]=4 17690 B14R0.392 C#CCCCCCCSCCCCC=O 62a_100000139335_100012276617 [0,2,0,0,0,0|0,0,1]=3 17691 B14R0.392 C#CCCCCCCSCCCCC=O 62a_100012276617_100000139335 [0,2,0,0,0,0|0,0,1]=3 17692 B14R0.392 C#CCCCCCCSCCCCCC 62a_100000210314_100012276617 [0,2,0,0,0,0|1,0,1]=4 17693 B14R0.392 C#CCCCCCCSCCCCCC 62a_100012276617_100000210757 [0,2,0,0,0,0|1,0,1]=4 17694 B14R0.392 C#CCCCCCCSCCCCCF 62a_100000729378_100012276617 [0,2,0,0,0,0|1,0,1]=4 17695 B14R0.392 C#CCCCCCCSCCCCCF 62a_100012276617_100000729378 [0,2,0,0,0,0|1,0,1]=4 17696 B14R0.392 C#CCCCCCCSCCCCCO 62a_100000746330_100012276617 [0,2,0,0,0,0|1,0,1]=4 17697 B14R0.392 C#CCCCCCCSCCCCCO 62a_100012276617_100000746330 [0,2,0,0,0,0|1,0,1]=4 17698 B14R0.392 C#CCCCCCCSCCCCOC 62a_100000730899_100012276617 [0,2,0,0,0,0|1,0,1]=4 17699 B14R0.392 C#CCCCCCCSCCCCOC 62a_100012276617_100000730899 [0,2,0,0,0,0|1,0,1]=4 17700 B14R0.392 C#CCCCCCCSCCCOCC 62a_100012232248_100012276617 [0,2,0,0,0,0|1,0,1]=4 17701 B14R0.392 C#CCCCCCCSCCCOCC 62a_100012276617_100012232248 [0,2,0,0,0,0|1,0,1]=4 17702 B14R0.392 C#CCCCCCCSCCOCCC 62a_100011215938_100012276617 [0,2,0,0,0,0|1,0,1]=4 17703 B14R0.392 C#CCCCCCCSCCOCCC 62a_100012276617_100011215938 [0,2,0,0,0,0|1,0,1]=4 17704 B14R0.392 C#CCCCCCCSCOCCCC 62a_100011995733_100012276617 [0,2,0,0,0,0|1,0,1]=4 17705 B14R0.392 C#CCCCCCCSCOCCCC 62a_100012276617_100011995733 [0,2,0,0,0,0|1,0,1]=4 17706 B14R0.392 C#CCCCCCNCCCCCCC 2230a_100000229938_100012094781 [0,2,0,0,0,0|1,0,1]=4 17707 B14R0.392 C#CCCCCCNCCCCCCO 2230a_100000686447_100012094781 [0,2,0,0,0,0|1,0,1]=4 17708 B14R0.392 C#CCCCCCNCCCCCCO 34a_100000686447_100012094781 [0,2,0,0,0,0|1,0,1]=4 17709 B14R0.392 C#CCCCCCNCCCCCOC 2230a_100000747528_100012094781 [0,2,0,0,0,0|1,0,1]=4 17710 B14R0.392 C#CCCCCCNCCCCCOC 34a_100000747528_100012094781 [0,2,0,0,0,0|1,0,1]=4 17711 B14R0.392 C#CCCCCCNCCCOCCC 2230a_100011217757_100012094781 [0,2,0,0,0,0|1,0,1]=4 17712 B14R0.392 C#CCCCCCNCCCOCCC 34a_100011217757_100012094781 [0,2,0,0,0,0|1,0,1]=4 17713 B14R0.392 C#CCCCCCNCCSCCCC 2230a_100025743550_100012094781 [0,2,0,0,0,0|1,0,1]=4 17714 B14R0.392 C#CCCCCCOCCCCCC=C 34a_100000766912_100000700193 [0,2,0,0,0,0|1,0,1]=4 17715 B14R0.392 C#CCCCCCOCCCCCC=C 34a_100011216702_100012094781 [0,2,0,0,0,0|1,0,1]=4 17716 B14R0.392 C#CCCCCCOCCCCCC=C 7a_100000766912_100000700193 [0,2,0,0,0,0|1,0,1]=4 17717 B14R0.392 C#CCCCCCOCCCCCC=C 7a_100011216702_100012094781 [0,2,0,0,0,0|1,0,1]=4 17718 B14R0.392 C#CCCCCCOCCCCCC=O 7a_100000766912_100000139337 [0,2,0,0,0,0|0,0,1]=3 17719 B14R0.392 C#CCCCCCOCCCCCCBr 34a_100011215345_100012094781 [0,2,0,0,0,0|1,0,1]=4 17720 B14R0.392 C#CCCCCCOCCCCCCBr 7a_100011215345_100012094781 [0,2,0,0,0,0|1,0,1]=4 17721 B14R0.392 C#CCCCCCOCCCCCCC 34a_100000210272_100012094781 [0,2,0,0,0,0|1,0,1]=4 17722 B14R0.392 C#CCCCCCOCCCCCCC 34a_100000766912_100000210614 [0,2,0,0,0,0|1,0,1]=4 17723 B14R0.392 C#CCCCCCOCCCCCCC 7a_100000210272_100012094781 [0,2,0,0,0,0|1,0,1]=4 17724 B14R0.392 C#CCCCCCOCCCCCCC 7a_100000766912_100000210614 [0,2,0,0,0,0|1,0,1]=4 17725 B14R0.392 C#CCCCCCOCCCCCCCl 34a_100000766143_100012094781 [0,2,0,0,0,0|1,0,1]=4 17726 B14R0.392 C#CCCCCCOCCCCCCCl 7a_100000766143_100012094781 [0,2,0,0,0,0|1,0,1]=4 17727 B14R0.392 C#CCCCCCOCCCCCCF 34a_100000732779_100012094781 [0,2,0,0,0,0|1,0,1]=4 17728 B14R0.392 C#CCCCCCOCCCCCCF 34a_100000766912_100015922095 [0,2,0,0,0,0|1,0,1]=4 17729 B14R0.392 C#CCCCCCOCCCCCCF 7a_100000732779_100012094781 [0,2,0,0,0,0|1,0,1]=4 17730 B14R0.392 C#CCCCCCOCCCCCCF 7a_100000766912_100015922095 [0,2,0,0,0,0|1,0,1]=4 17731 B14R0.392 C#CCCCCCOCCCCCCN 34a_100000686447_100012094781 [0,2,0,0,0,0|1,0,1]=4 17732 B14R0.392 C#CCCCCCOCCCCCCO 34a_100000766912_100000766143 [0,2,0,0,0,0|1,0,1]=4 17733 B14R0.392 C#CCCCCCOCCCCCCO 7a_100000766912_100000766143 [0,2,0,0,0,0|1,0,1]=4 17734 B14R0.392 C#CCCCCCOCCCCCNC 34a_100000722520_100012094781 [0,2,0,0,0,0|1,0,1]=4 17735 B14R0.392 C#CCCCCCOCCOCCCC 34a_100000210238_100012094781 [0,2,0,0,0,0|1,0,1]=4 17736 B14R0.392 C#CCCCCCOCCOCCCC 34a_100000766912_100000743108 [0,2,0,0,0,0|1,0,1]=4 17737 B14R0.392 C#CCCCCCOCCOCCCC 7a_100000210238_100012094781 [0,2,0,0,0,0|1,0,1]=4 17738 B14R0.392 C#CCCCCCOCCOCCCC 7a_100000766912_100000743108 [0,2,0,0,0,0|1,0,1]=4 17739 B14R0.392 C#CCCCCCOCCSCCCC 34a_200000230436_100012094781 [0,2,0,0,0,0|1,0,1]=4 17740 B14R0.392 C#CCCCCCOCCSCCCC 7a_200000230436_100012094781 [0,2,0,0,0,0|1,0,1]=4 17741 B14R0.392 C#CCCCCCSCCCCCC=C 62a_100000700193_100012094781 [0,2,0,0,0,0|1,0,1]=4 17742 B14R0.392 C#CCCCCCSCCCCCC=C 62a_100012094781_100000700193 [0,2,0,0,0,0|1,0,1]=4 17743 B14R0.392 C#CCCCCCSCCCCCC=O 62a_100000139337_100012094781 [0,2,0,0,0,0|0,0,1]=3 17744 B14R0.392 C#CCCCCCSCCCCCC=O 62a_100012094781_100000139337 [0,2,0,0,0,0|0,0,1]=3 17745 B14R0.392 C#CCCCCCSCCCCCCC 62a_100000210614_100012094781 [0,2,0,0,0,0|1,0,1]=4 17746 B14R0.392 C#CCCCCCSCCCCCCC 62a_100012094781_100000210316 [0,2,0,0,0,0|1,0,1]=4 17747 B14R0.392 C#CCCCCCSCCCCCCF 62a_100012094781_100015922095 [0,2,0,0,0,0|1,0,1]=4 17748 B14R0.392 C#CCCCCCSCCCCCCF 62a_100015922095_100012094781 [0,2,0,0,0,0|1,0,1]=4 17749 B14R0.392 C#CCCCCCSCCCCCCO 62a_100000766143_100012094781 [0,2,0,0,0,0|1,0,1]=4 17750 B14R0.392 C#CCCCCCSCCCCCCO 62a_100012094781_100000766143 [0,2,0,0,0,0|1,0,1]=4 17751 B14R0.392 C#CCCCCCSCCOCCCC 62a_100000743108_100012094781 [0,2,0,0,0,0|1,0,1]=4 17752 B14R0.392 C#CCCCCCSCCOCCCC 62a_100012094781_100000743108 [0,2,0,0,0,0|1,0,1]=4 17753 B14R0.392 C#CCCCCNCCCCCCC=C 2230a_100000706060_100011215473 [0,2,0,0,0,0|1,0,1]=4 17754 B14R0.392 C#CCCCCNCCCCCCC=C 34a_100000706060_100011215473 [0,2,0,0,0,0|1,0,1]=4 17755 B14R0.392 C#CCCCCNCCCCCCCC 2230a_100000229939_100010269958 [0,2,0,0,0,0|1,0,1]=4 17756 B14R0.392 C#CCCCCNCCCCCCCC 2230a_100000706060_100000210759 [0,2,0,0,0,0|1,0,1]=4 17757 B14R0.392 C#CCCCCNCCCCCCCC 34a_100000229939_100010269958 [0,2,0,0,0,0|1,0,1]=4 17758 B14R0.392 C#CCCCCNCCCCCCCC 34a_100000706060_100000210759 [0,2,0,0,0,0|1,0,1]=4 17759 B14R0.392 C#CCCCCNCCCCCCCO 2230a_100000706060_100000760002 [0,2,0,0,0,0|1,0,1]=4 17760 B14R0.392 C#CCCCCNCCCCCCCO 2230a_100011996573_100010269958 [0,2,0,0,0,0|1,0,1]=4 17761 B14R0.392 C#CCCCCNCCCCCCCO 34a_100000706060_100000760002 [0,2,0,0,0,0|1,0,1]=4 17762 B14R0.392 C#CCCCCNCCCCCCCO 34a_100011996573_100010269958 [0,2,0,0,0,0|1,0,1]=4 17763 B14R0.392 C#CCCCCNCCCCCCOC 2230a_100000706060_100011998445 [0,2,0,0,0,0|1,0,1]=4 17764 B14R0.392 C#CCCCCNCCCCCCOC 34a_100000706060_100011998445 [0,2,0,0,0,0|1,0,1]=4 17765 B14R0.392 C#CCCCCNCCCOCCCC 2230a_200000211371_100010269958 [0,2,0,0,0,0|1,0,1]=4 17766 B14R0.392 C#CCCCCNCCCOCCCC 34a_200000211371_100010269958 [0,2,0,0,0,0|1,0,1]=4 17767 B14R0.392 C#CCCCCOCCCCCCC=C 34a_100000766709_100011215473 [0,2,0,0,0,0|1,0,1]=4 17768 B14R0.392 C#CCCCCOCCCCCCC=C 34a_200011216477_100010269958 [0,2,0,0,0,0|1,0,1]=4 17769 B14R0.392 C#CCCCCOCCCCCCC=C 7a_100000766709_100011215473 [0,2,0,0,0,0|1,0,1]=4 17770 B14R0.392 C#CCCCCOCCCCCCC=C 7a_200011216477_100010269958 [0,2,0,0,0,0|1,0,1]=4 17771 B14R0.392 C#CCCCCOCCCCCCCBr 34a_100000760002_100010269958 [0,2,0,0,0,0|1,0,1]=4 17772 B14R0.392 C#CCCCCOCCCCCCCBr 7a_100000760002_100010269958 [0,2,0,0,0,0|1,0,1]=4 17773 B14R0.392 C#CCCCCOCCCCCCCC 34a_100000210232_100010269958 [0,2,0,0,0,0|1,0,1]=4 17774 B14R0.392 C#CCCCCOCCCCCCCC 34a_100000766709_100000210759 [0,2,0,0,0,0|1,0,1]=4 17775 B14R0.392 C#CCCCCOCCCCCCCC 7a_100000210232_100010269958 [0,2,0,0,0,0|1,0,1]=4 17776 B14R0.392 C#CCCCCOCCCCCCCC 7a_100000766709_100000210759 [0,2,0,0,0,0|1,0,1]=4 17777 B14R0.392 C#CCCCCOCCCCCCCN 34a_100011996573_100010269958 [0,2,0,0,0,0|1,0,1]=4 17778 B14R0.392 C#CCCCCOCCCCCCCO 34a_100000766709_100000760002 [0,2,0,0,0,0|1,0,1]=4 17779 B14R0.392 C#CCCCCOCCCCCCCO 7a_100000766709_100000760002 [0,2,0,0,0,0|1,0,1]=4 17780 B14R0.392 C#CCCCCOCCCCCCOC 34a_100000766709_100011998445 [0,2,0,0,0,0|1,0,1]=4 17781 B14R0.392 C#CCCCCOCCCCCCOC 34a_200012092642_100010269958 [0,2,0,0,0,0|1,0,1]=4 17782 B14R0.392 C#CCCCCOCCCCCCOC 7a_100000766709_100011998445 [0,2,0,0,0,0|1,0,1]=4 17783 B14R0.392 C#CCCCCOCCCCCCOC 7a_200012092642_100010269958 [0,2,0,0,0,0|1,0,1]=4 17784 B14R0.392 C#CCCCCOCCCOCCCC 34a_200011215613_100010269958 [0,2,0,0,0,0|1,0,1]=4 17785 B14R0.392 C#CCCCCOCCCOCCCC 7a_200011215613_100010269958 [0,2,0,0,0,0|1,0,1]=4 17786 B14R0.392 C#CCCCCOCCNCCCCC 34a_100000224656_100010269958 [0,2,0,0,0,0|1,0,1]=4 17787 B14R0.392 C#CCCCCOCCOCCCCC 34a_100011215259_100010269958 [0,2,0,0,0,0|1,0,1]=4 17788 B14R0.392 C#CCCCCOCCOCCCCC 7a_100011215259_100010269958 [0,2,0,0,0,0|1,0,1]=4 17789 B14R0.392 C#CCCCCSCCCCCCC=C 62a_100010269958_100011215473 [0,2,0,0,0,0|1,0,1]=4 17790 B14R0.392 C#CCCCCSCCCCCCC=C 62a_100011215473_100010269958 [0,2,0,0,0,0|1,0,1]=4 17791 B14R0.392 C#CCCCCSCCCCCCCC 62a_100000210759_100010269958 [0,2,0,0,0,0|1,0,1]=4 17792 B14R0.392 C#CCCCCSCCCCCCCC 62a_100010269958_100000210317 [0,2,0,0,0,0|1,0,1]=4 17793 B14R0.392 C#CCCCCSCCCCCCCO 62a_100000760002_100010269958 [0,2,0,0,0,0|1,0,1]=4 17794 B14R0.392 C#CCCCCSCCCCCCCO 62a_100010269958_100000760002 [0,2,0,0,0,0|1,0,1]=4 17795 B14R0.392 C#CCCCCSCCCCCCOC 62a_100010269958_100011998445 [0,2,0,0,0,0|1,0,1]=4 17796 B14R0.392 C#CCCCCSCCCCCCOC 62a_100011998445_100010269958 [0,2,0,0,0,0|1,0,1]=4 17797 B14R0.392 C#CCCCNCCCCCCCC=C 34a_100000718082_100012355270 [0,2,0,0,0,0|1,0,1]=4 17798 B14R0.392 C#CCCCNCCCCCCCCC 2230a_100000212291_100000731252 [0,2,0,0,0,0|1,0,1]=4 17799 B14R0.392 C#CCCCNCCCCCCCCC 34a_100000212291_100000695029 [0,2,0,0,0,0|1,0,1]=4 17800 B14R0.392 C#CCCCNCCCCCCCCC 34a_100000718082_100011214924 [0,2,0,0,0,0|1,0,1]=4 17801 B14R0.392 C#CCCCNCCCCCCCCO 2230a_102515433106_100000731252 [0,2,0,0,0,0|1,0,1]=4 17802 B14R0.392 C#CCCCNCCCCCCCCO 34a_100000718082_100000033203 [0,2,0,0,0,0|1,0,1]=4 17803 B14R0.392 C#CCCCNCCCCCCCCO 34a_102515433106_100000695029 [0,2,0,0,0,0|1,0,1]=4 17804 B14R0.392 C#CCCCOCCCCCCCC=C 34a_100000215630_100012355270 [0,2,0,0,0,0|1,0,1]=4 17805 B14R0.392 C#CCCCOCCCCCCCC=C 34a_100000730831_100000695029 [0,2,0,0,0,0|1,0,1]=4 17806 B14R0.392 C#CCCCOCCCCCCCC=C 7a_100000215630_100012355270 [0,2,0,0,0,0|1,0,1]=4 17807 B14R0.392 C#CCCCOCCCCCCCC=C 7a_100000730831_100011215417 [0,2,0,0,0,0|1,0,1]=4 17808 B14R0.392 C#CCCCOCCCCCCCCBr 34a_100009813846_100000695029 [0,2,0,0,0,0|1,0,1]=4 17809 B14R0.392 C#CCCCOCCCCCCCCBr 7a_100009813846_100011215417 [0,2,0,0,0,0|1,0,1]=4 17810 B14R0.392 C#CCCCOCCCCCCCCC 34a_100000210712_100000695029 [0,2,0,0,0,0|1,0,1]=4 17811 B14R0.392 C#CCCCOCCCCCCCCC 34a_100000215630_100011214924 [0,2,0,0,0,0|1,0,1]=4 17812 B14R0.392 C#CCCCOCCCCCCCCC 7a_100000210712_100011215417 [0,2,0,0,0,0|1,0,1]=4 17813 B14R0.392 C#CCCCOCCCCCCCCC 7a_100000215630_100000210328 [0,2,0,0,0,0|1,0,1]=4 17814 B14R0.392 C#CCCCOCCCCCCCCCl 34a_100000033203_100000695029 [0,2,0,0,0,0|1,0,1]=4 17815 B14R0.392 C#CCCCOCCCCCCCCCl 7a_100000033203_100011215417 [0,2,0,0,0,0|1,0,1]=4 17816 B14R0.392 C#CCCCOCCCCCCCCN 34a_102515433106_100000695029 [0,2,0,0,0,0|1,0,1]=4 17817 B14R0.392 C#CCCCOCCCCCCCCO 34a_100000215630_100000033203 [0,2,0,0,0,0|1,0,1]=4 17818 B14R0.392 C#CCCCOCCCCCCCCO 7a_100000215630_100000033203 [0,2,0,0,0,0|1,0,1]=4 17819 B14R0.392 C#CCCCOCCCCNCCCC 34a_200011216965_100000695029 [0,2,0,0,0,0|1,0,1]=4 17820 B14R0.392 C#CCCCOCCCCOCCCC 34a_200000760531_100000695029 [0,2,0,0,0,0|1,0,1]=4 17821 B14R0.392 C#CCCCOCCCCOCCCC 7a_200000760531_100011215417 [0,2,0,0,0,0|1,0,1]=4 17822 B14R0.392 C#CCCCOCCOCCCCCC 34a_100000691444_100000695029 [0,2,0,0,0,0|1,0,1]=4 17823 B14R0.392 C#CCCCOCCOCCCCCC 7a_100000691444_100011215417 [0,2,0,0,0,0|1,0,1]=4 17824 B14R0.392 C#CCCCSCCCCCCCC=C 62a_100011215417_100012355270 [0,2,0,0,0,0|1,0,1]=4 17825 B14R0.392 C#CCCCSCCCCCCCC=C 62a_100012355270_100011215417 [0,2,0,0,0,0|1,0,1]=4 17826 B14R0.392 C#CCCCSCCCCCCCCC 62a_100011215417_100000210670 [0,2,0,0,0,0|1,0,1]=4 17827 B14R0.392 C#CCCCSCCCCCCCCO 62a_100000033203_100011215417 [0,2,0,0,0,0|1,0,1]=4 17828 B14R0.392 C#CCCCSCCCCCCCCO 62a_100011215417_100000033203 [0,2,0,0,0,0|1,0,1]=4 17829 B14R0.392 C#CCCNCCCCCCCCC=C 34a_100000755551_100011933949 [0,2,0,0,0,0|1,0,1]=4 17830 B14R0.392 C#CCCNCCCCCCCCCC 2230a_100000684558_100000688953 [0,2,0,0,0,0|1,0,1]=4 17831 B14R0.392 C#CCCNCCCCCCCCCC 34a_100000684558_100000688953 [0,2,0,0,0,0|1,0,1]=4 17832 B14R0.392 C#CCCNCCCCCCCCCC 34a_100000755551_100000210320 [0,2,0,0,0,0|1,0,1]=4 17833 B14R0.392 C#CCCNCCCCCCCCCO 2230a_100000078944_100000688953 [0,2,0,0,0,0|1,0,1]=4 17834 B14R0.392 C#CCCNCCCCCCCCCO 34a_100000078944_100000688953 [0,2,0,0,0,0|1,0,1]=4 17835 B14R0.392 C#CCCNCCCCCCCCCO 34a_100000755551_100009813782 [0,2,0,0,0,0|1,0,1]=4 17836 B14R0.392 C#CCCOCCCCCCCCC=C 34a_100011215194_100000688953 [0,2,0,0,0,0|1,0,1]=4 17837 B14R0.392 C#CCCOCCCCCCCCC=C 34a_100011215631_100011933949 [0,2,0,0,0,0|1,0,1]=4 17838 B14R0.392 C#CCCOCCCCCCCCC=C 7a_100011215194_100000688953 [0,2,0,0,0,0|1,0,1]=4 17839 B14R0.392 C#CCCOCCCCCCCCCBr 34a_100009813782_100000688953 [0,2,0,0,0,0|1,0,1]=4 17840 B14R0.392 C#CCCOCCCCCCCCCBr 7a_100009813782_100000688953 [0,2,0,0,0,0|1,0,1]=4 17841 B14R0.392 C#CCCOCCCCCCCCCC 34a_100000210711_100000688953 [0,2,0,0,0,0|1,0,1]=4 17842 B14R0.392 C#CCCOCCCCCCCCCC 34a_100011215631_100000210320 [0,2,0,0,0,0|1,0,1]=4 17843 B14R0.392 C#CCCOCCCCCCCCCC 7a_100000210711_100000688953 [0,2,0,0,0,0|1,0,1]=4 17844 B14R0.392 C#CCCOCCCCCCCCCCl 34a_100009868337_100000688953 [0,2,0,0,0,0|1,0,1]=4 17845 B14R0.392 C#CCCOCCCCCCCCCCl 7a_100009868337_100000688953 [0,2,0,0,0,0|1,0,1]=4 17846 B14R0.392 C#CCCOCCCCCCCCCN 34a_100000078944_100000688953 [0,2,0,0,0,0|1,0,1]=4 17847 B14R0.392 C#CCCOCCCCCCCCCO 34a_100011215631_100009813782 [0,2,0,0,0,0|1,0,1]=4 17848 B14R0.392 C#CCCSCCCCCCCCC=C 62a_100000688953_100011933949 [0,2,0,0,0,0|1,0,1]=4 17849 B14R0.392 C#CCCSCCCCCCCCC=C 62a_100011933949_100000688953 [0,2,0,0,0,0|1,0,1]=4 17850 B14R0.392 C#CCCSCCCCCCCCCC 62a_100000688953_100000210320 [0,2,0,0,0,0|1,0,1]=4 17851 B14R0.392 C#CCCSCCCCCCCCCO 62a_100000688953_100009813782 [0,2,0,0,0,0|1,0,1]=4 17852 B14R0.392 C#CCCSCCCCCCCCCO 62a_100009813782_100000688953 [0,2,0,0,0,0|1,0,1]=4 17853 B14R0.392 C#CCNCCCCCCCCCC=C 2230a_100000081888_100000038162 [0,2,0,0,0,0|1,0,1]=4 17854 B14R0.392 C#CCNCCCCCCCCCC=C 34a_100000081888_100000184674 [0,2,0,0,0,0|1,0,1]=4 17855 B14R0.392 C#CCNCCCCCCCCCC=C 34a_100000212058_100009814027 [0,2,0,0,0,0|1,0,1]=4 17856 B14R0.392 C#CCNCCCCCCCCCCC 2230a_200011215754_100000038162 [0,2,0,0,0,0|1,0,1]=4 17857 B14R0.392 C#CCNCCCCCCCCCCC 34a_100000212058_100011215454 [0,2,0,0,0,0|1,0,1]=4 17858 B14R0.392 C#CCNCCCCCCCCCCC 34a_200011215754_100000184674 [0,2,0,0,0,0|1,0,1]=4 17859 B14R0.392 C#CCNCCCCCCCCCCO 2230a_100000066964_100000038162 [0,2,0,0,0,0|1,0,1]=4 17860 B14R0.392 C#CCNCCCCCCCCCCO 34a_100000066964_100000184674 [0,2,0,0,0,0|1,0,1]=4 17861 B14R0.392 C#CCNCCCCCCCCCCO 34a_100000212058_100009813290 [0,2,0,0,0,0|1,0,1]=4 17862 B14R0.392 C#CCOCCCCCCCCCC=C 34a_100000038209_100000184674 [0,2,0,0,0,0|1,0,1]=4 17863 B14R0.392 C#CCOCCCCCCCCCC=C 34a_100000210247_100009814027 [0,2,0,0,0,0|1,0,1]=4 17864 B14R0.392 C#CCOCCCCCCCCCC=C 7a_100000038209_100000038162 [0,2,0,0,0,0|1,0,1]=4 17865 B14R0.392 C#CCOCCCCCCCCCCBr 34a_100009813290_100000184674 [0,2,0,0,0,0|1,0,1]=4 17866 B14R0.392 C#CCOCCCCCCCCCCBr 7a_100009813290_100000038162 [0,2,0,0,0,0|1,0,1]=4 17867 B14R0.392 C#CCOCCCCCCCCCCC 34a_100000210247_100011215454 [0,2,0,0,0,0|1,0,1]=4 17868 B14R0.392 C#CCOCCCCCCCCCCC 34a_100000210809_100000184674 [0,2,0,0,0,0|1,0,1]=4 17869 B14R0.392 C#CCOCCCCCCCCCCC 7a_100000210809_100000038162 [0,2,0,0,0,0|1,0,1]=4 17870 B14R0.392 C#CCOCCCCCCCCCCCl 34a_200000033068_100000184674 [0,2,0,0,0,0|1,0,1]=4 17871 B14R0.392 C#CCOCCCCCCCCCCCl 7a_200000033068_100000038162 [0,2,0,0,0,0|1,0,1]=4 17872 B14R0.392 C#CCOCCCCCCCCCCN 34a_100000066964_100000184674 [0,2,0,0,0,0|1,0,1]=4 17873 B14R0.392 C#CCOCCCCCCCCCCO 34a_100000210247_100009813290 [0,2,0,0,0,0|1,0,1]=4 17874 B14R0.392 C#CCOCCCCCCOCCCC 34a_200011021349_100000210210 [0,2,0,0,0,0|1,0,1]=4 17875 B14R0.392 C#CCOCCCCCCOCCCC 7a_200011021349_100000210211 [0,2,0,0,0,0|1,0,1]=4 17876 B14R0.392 C#CCOCCNCCCCCCCC 2230a_100000229939_100010402529 [0,2,0,0,0,0|1,0,1]=4 17877 B14R0.392 C#CCOCCNCCCCCCCC 2230a_100000700922_100000210759 [0,2,0,0,0,0|1,0,1]=4 17878 B14R0.392 C#CCOCCNCCCCCCCC 34a_100000229939_100010402529 [0,2,0,0,0,0|1,0,1]=4 17879 B14R0.392 C#CCOCCNCCCCCCCC 34a_100000700922_100000210759 [0,2,0,0,0,0|1,0,1]=4 17880 B14R0.392 C#CCOCCOCCCCCCCC 34a_100000054580_100000210759 [0,2,0,0,0,0|1,0,1]=4 17881 B14R0.392 C#CCOCCOCCCCCCCC 34a_100000210232_100010402529 [0,2,0,0,0,0|1,0,1]=4 17882 B14R0.392 C#CCOCCOCCCCCCCC 7a_100000054580_100000210759 [0,2,0,0,0,0|1,0,1]=4 17883 B14R0.392 C#CCOCCOCCCCCCCC 7a_100000210232_100010402529 [0,2,0,0,0,0|1,0,1]=4 17884 B14R0.392 C#CCOCCSCCCCCCCC 62a_100000210759_100010402529 [0,2,0,0,0,0|1,0,1]=4 17885 B14R0.392 C#CCOCCSCCCCCCCC 62a_100010402529_100000210317 [0,2,0,0,0,0|1,0,1]=4 17886 B14R0.392 C#CCSCCCCCCCCCC=C 62a_100000038162_100009814027 [0,2,0,0,0,0|1,0,1]=4 17887 B14R0.392 C#CCSCCCCCCCCCCC 62a_100000038162_100011215454 [0,2,0,0,0,0|1,0,1]=4 17888 B14R0.392 C#CCSCCCCCCCCCCO 62a_100000038162_200000033068 [0,2,0,0,0,0|1,0,1]=4 17889 B14R0.392 C/C=C/CCOCCCCCCCCC 34a_100016278192_100011214924 [0,2,0,0,0,0|1,0,0]=3 17890 B14R0.392 C/C=C/CCOCCCCCCCCO 34a_100016278192_100000033203 [0,2,0,0,0,0|1,0,1]=4 17891 B14R0.392 C/C=C/CNCCCCCCCCCC 34a_100000684558_100102629194 [0,2,0,0,0,0|1,0,0]=3 17892 B14R0.392 C/C=C/CNCCCCCCCCCO 34a_100000078944_100102629194 [0,2,0,0,0,0|1,0,1]=4 17893 B14R0.392 C/C=C/COCCCCCCCCCBr 34a_100009813782_100102629194 [0,2,0,0,0,0|1,0,1]=4 17894 B14R0.392 C/C=C/COCCCCCCCCCBr 7a_100009813782_100102629194 [0,2,0,0,0,0|1,0,1]=4 17895 B14R0.392 C/C=C/COCCCCCCCCCC 34a_100000210711_100102629194 [0,2,0,0,0,0|1,0,0]=3 17896 B14R0.392 C/C=C/COCCCCCCCCCC 34a_100016270725_100000210320 [0,2,0,0,0,0|1,0,0]=3 17897 B14R0.392 C/C=C/COCCCCCCCCCC 7a_100000210711_100102629194 [0,2,0,0,0,0|1,0,0]=3 17898 B14R0.392 C/C=C/COCCCCCCCCCCl 34a_100009868337_100102629194 [0,2,0,0,0,0|1,0,1]=4 17899 B14R0.392 C/C=C/COCCCCCCCCCCl 7a_100009868337_100102629194 [0,2,0,0,0,0|1,0,1]=4 17900 B14R0.392 C/C=C/COCCCCCCCCCN 34a_100000078944_100102629194 [0,2,0,0,0,0|1,0,1]=4 17901 B14R0.392 C/C=C/COCCCCCCCCCO 34a_100016270725_100009813782 [0,2,0,0,0,0|1,0,1]=4 17902 B14R0.392 C/C=C/CSCCCCCCCCCC 62a_100102629194_100000210320 [0,2,0,0,0,0|1,0,0]=3 17903 B14R0.392 C/C=C/CSCCCCCCCCCO 62a_100009813782_100102629194 [0,2,0,0,0,0|1,0,1]=4 17904 B14R0.392 C/C=C/CSCCCCCCCCCO 62a_100102629194_100009813782 [0,2,0,0,0,0|1,0,1]=4 17905 B14R0.392 C=CCCC/C=C/COCCCCCC 34a_200016268473_100000210314 [0,2,0,0,0,0|1,0,1]=4 17906 B14R0.392 C=CCCC/C=C/COCCCCCC 7a_200016268473_100000210314 [0,2,0,0,0,0|1,0,1]=4 17907 B14R0.392 C=CCCCCCCCCC=NNCC 4a_100000756455_100000039675 [0,2,0,0,0,0|1,0,1]=4 17908 B14R0.392 C=CCCCCCCCCCCCNC 2230a_106832991635_102130925996 [0,2,0,0,0,0|1,0,0]=3 17909 B14R0.392 C=CCCCCCCCCCCCNC 34a_100102657272_102130925996 [0,2,0,0,0,0|1,0,0]=3 17910 B14R0.392 C=CCCCCCCCCCCCNC 7a_106832991635_102130925996 [0,2,0,0,0,0|1,0,0]=3 17911 B14R0.392 C=CCCCCCCCCCCCOC 34a_100138415774_102130925996 [0,2,0,0,0,0|1,0,0]=3 17912 B14R0.392 C=CCCCCCCCCCCCSC 62a_102130925996_200000210301 [0,2,0,0,0,0|1,0,0]=3 17913 B14R0.392 C=CCCCCCCCCCCCSC 62a_200000210301_102130925996 [0,2,0,0,0,0|1,0,0]=3 17914 B14R0.392 C=CCCCCCCCCCCCS[13CH3] 62a_102130925996_200025704644 [0,2,0,0,0,0|1,0,0]=3 17915 B14R0.392 C=CCCCCCCCCCCCS[13CH3] 62a_200025704644_102130925996 [0,2,0,0,0,0|1,0,0]=3 17916 B14R0.392 C=CCCCCCCCCCCNCC 2230a_100015525214_100011093070 [0,2,0,0,0,0|1,0,0]=3 17917 B14R0.392 C=CCCCCCCCCCCOCC 34a_100121572206_100011093070 [0,2,0,0,0,0|1,0,0]=3 17918 B14R0.392 C=CCCCCCCCCCCSCC 62a_100000210202_100011093070 [0,2,0,0,0,0|1,0,0]=3 17919 B14R0.392 C=CCCCCCCCCCCSCC 62a_100011093070_100000210202 [0,2,0,0,0,0|1,0,0]=3 17920 B14R0.392 C=CCCCCCCCCCCSCF 62a_100011093070_100015361967 [0,2,0,0,0,0|1,0,0]=3 17921 B14R0.392 C=CCCCCCCCCCCSCF 62a_100015361967_100011093070 [0,2,0,0,0,0|1,0,0]=3 17922 B14R0.392 C=CCCCCCCCCCNCC#N 2230a_100000081888_100011215382 [0,2,0,0,0,0|1,0,1]=4 17923 B14R0.392 C=CCCCCCCCCCNCC=C 2230a_100000081888_100000210623 [0,2,0,0,0,0|1,0,1]=4 17924 B14R0.392 C=CCCCCCCCCCNCC=C 2230a_100020586998_100009814027 [0,2,0,0,0,0|1,0,1]=4 17925 B14R0.392 C=CCCCCCCCCCNCC=C 34a_100000081888_100015514636 [0,2,0,0,0,0|1,0,1]=4 17926 B14R0.392 C=CCCCCCCCCCNCC=O 2230a_100000081888_200015260668 [0,2,0,0,0,0|0,0,1]=3 17927 B14R0.392 C=CCCCCCCCCCNCC=O 34a_100000081888_200009817547 [0,2,0,0,0,0|0,0,1]=3 17928 B14R0.392 C=CCCCCCCCCCNCCC 2230a_100000081888_100000210303 [0,2,0,0,0,0|1,0,0]=3 17929 B14R0.392 C=CCCCCCCCCCNCCC 34a_100000081888_100000210303 [0,2,0,0,0,0|1,0,0]=3 17930 B14R0.392 C=CCCCCCCCCCNCCF 2230a_100000081888_100011217306 [0,2,0,0,0,0|1,0,0]=3 17931 B14R0.392 C=CCCCCCCCCCNCCF 34a_100000081888_100011217306 [0,2,0,0,0,0|1,0,0]=3 17932 B14R0.392 C=CCCCCCCCCCNCCF 34a_100000724931_100009814027 [0,2,0,0,0,0|1,0,0]=3 17933 B14R0.392 C=CCCCCCCCCCNCCO 2230a_100000081888_100000211926 [0,2,0,0,0,0|1,0,0]=3 17934 B14R0.392 C=CCCCCCCCCCNCCO 2230a_100016997473_100009814027 [0,2,0,0,0,0|1,0,0]=3 17935 B14R0.392 C=CCCCCCCCCCNCCO 34a_100000081888_100000211926 [0,2,0,0,0,0|1,0,0]=3 17936 B14R0.392 C=CCCCCCCCCCNCCO 34a_100016990907_100009814027 [0,2,0,0,0,0|1,0,0]=3 17937 B14R0.392 C=CCCCCCCCCCNCOC 2230a_100000081888_100000766300 [0,2,0,0,0,0|1,0,0]=3 17938 B14R0.392 C=CCCCCCCCCCNCSC 2230a_100000081888_100011218213 [0,2,0,0,0,0|1,0,0]=3 17939 B14R0.392 C=CCCCCCCCCCNCSC 34a_100000081888_100011218213 [0,2,0,0,0,0|1,0,0]=3 17940 B14R0.392 C=CCCCCCCCCCOCC#N 7a_100000038209_100011215382 [0,2,0,0,0,0|1,0,1]=4 17941 B14R0.392 C=CCCCCCCCCCOCC=C 34a_100000038209_100015514636 [0,2,0,0,0,0|1,0,1]=4 17942 B14R0.392 C=CCCCCCCCCCOCC=C 34a_200000210373_100009814027 [0,2,0,0,0,0|1,0,1]=4 17943 B14R0.392 C=CCCCCCCCCCOCC=C 7a_100000038209_100015514636 [0,2,0,0,0,0|1,0,1]=4 17944 B14R0.392 C=CCCCCCCCCCOCC=O 34a_100000038209_200009817547 [0,2,0,0,0,0|0,0,1]=3 17945 B14R0.392 C=CCCCCCCCCCOCC=O 7a_100000038209_200015260668 [0,2,0,0,0,0|0,0,1]=3 17946 B14R0.392 C=CCCCCCCCCCOCCBr 34a_100000211926_100009814027 [0,2,0,0,0,0|1,0,0]=3 17947 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000038209_100000210303 [0,2,0,0,0,0|1,0,0]=3 17948 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000210258_100009814027 [0,2,0,0,0,0|1,0,0]=3 17949 B14R0.392 C=CCCCCCCCCCOCCC 7a_100000038209_100000210303 [0,2,0,0,0,0|1,0,0]=3 17950 B14R0.392 C=CCCCCCCCCCOCCF 34a_100000038209_100011217306 [0,2,0,0,0,0|1,0,0]=3 17951 B14R0.392 C=CCCCCCCCCCOCCF 7a_100000038209_100011217306 [0,2,0,0,0,0|1,0,0]=3 17952 B14R0.392 C=CCCCCCCCCCOCCN 34a_100000210304_100009814027 [0,2,0,0,0,0|1,0,0]=3 17953 B14R0.392 C=CCCCCCCCCCOCCO 34a_100000038209_100000211926 [0,2,0,0,0,0|1,0,0]=3 17954 B14R0.392 C=CCCCCCCCCCOCCO 7a_100000038209_100000211926 [0,2,0,0,0,0|1,0,0]=3 17955 B14R0.392 C=CCCCCCCCCCOCSC 34a_100000038209_100011218213 [0,2,0,0,0,0|1,0,0]=3 17956 B14R0.392 C=CCCCCCCCCCSCC#N 62a_100009814027_100011215382 [0,2,0,0,0,0|1,0,1]=4 17957 B14R0.392 C=CCCCCCCCCCSCC#N 62a_100011215382_100009814027 [0,2,0,0,0,0|1,0,1]=4 17958 B14R0.392 C=CCCCCCCCCCSCC=C 62a_100000210623_100009814027 [0,2,0,0,0,0|1,0,1]=4 17959 B14R0.392 C=CCCCCCCCCCSCC=C 62a_100009814027_100000210623 [0,2,0,0,0,0|1,0,1]=4 17960 B14R0.392 C=CCCCCCCCCCSCC=O 62a_100009814027_200015260668 [0,2,0,0,0,0|0,0,1]=3 17961 B14R0.392 C=CCCCCCCCCCSCC=O 62a_200015260668_100009814027 [0,2,0,0,0,0|0,0,1]=3 17962 B14R0.392 C=CCCCCCCCCCSCCC 62a_100000210303_100009814027 [0,2,0,0,0,0|1,0,0]=3 17963 B14R0.392 C=CCCCCCCCCCSCCC 62a_100009814027_100000210303 [0,2,0,0,0,0|1,0,0]=3 17964 B14R0.392 C=CCCCCCCCCCSCCF 62a_100009814027_100011217306 [0,2,0,0,0,0|1,0,0]=3 17965 B14R0.392 C=CCCCCCCCCCSCCF 62a_100011217306_100009814027 [0,2,0,0,0,0|1,0,0]=3 17966 B14R0.392 C=CCCCCCCCCCSCCO 62a_100000211926_100009814027 [0,2,0,0,0,0|1,0,0]=3 17967 B14R0.392 C=CCCCCCCCCCSCCO 62a_100009814027_100000211926 [0,2,0,0,0,0|1,0,0]=3 17968 B14R0.392 C=CCCCCCCCCCSCOC 62a_100000766300_100009814027 [0,2,0,0,0,0|1,0,0]=3 17969 B14R0.392 C=CCCCCCCCCCSCOC 62a_100009814027_100000766300 [0,2,0,0,0,0|1,0,0]=3 17970 B14R0.392 C=CCCCCCCCCCSCSC 62a_100009814027_100011218213 [0,2,0,0,0,0|1,0,0]=3 17971 B14R0.392 C=CCCCCCCCCCSCSC 62a_100011218213_100009814027 [0,2,0,0,0,0|1,0,0]=3 17972 B14R0.392 C=CCCCCCCCCNCC#CC 2230a_100000685387_100011933949 [0,2,0,0,0,0|1,0,1]=4 17973 B14R0.392 C=CCCCCCCCCNCC#CC 34a_100000685387_100011933949 [0,2,0,0,0,0|1,0,1]=4 17974 B14R0.392 C=CCCCCCCCCNCCC=C 2230a_100015191253_100011933949 [0,2,0,0,0,0|1,0,1]=4 17975 B14R0.392 C=CCCCCCCCCNCCCC 2230a_100000102301_100011933949 [0,2,0,0,0,0|1,0,0]=3 17976 B14R0.392 C=CCCCCCCCCNCCCC 7a_106832991798_100011933949 [0,2,0,0,0,0|1,0,0]=3 17977 B14R0.392 C=CCCCCCCCCNCCCF 2230a_100015189416_100011933949 [0,2,0,0,0,0|1,0,0]=3 17978 B14R0.392 C=CCCCCCCCCNCCCF 34a_100015189416_100011933949 [0,2,0,0,0,0|1,0,0]=3 17979 B14R0.392 C=CCCCCCCCCNCCOC 2230a_100000209980_100011933949 [0,2,0,0,0,0|1,0,0]=3 17980 B14R0.392 C=CCCCCCCCCNCCSC 2230a_100020590264_100011933949 [0,2,0,0,0,0|1,0,0]=3 17981 B14R0.392 C=CCCCCCCCCOC/C=C/C 34a_100011215194_100102629194 [0,2,0,0,0,0|1,0,1]=4 17982 B14R0.392 C=CCCCCCCCCOC/C=C/C 34a_100016270725_100011933949 [0,2,0,0,0,0|1,0,1]=4 17983 B14R0.392 C=CCCCCCCCCOC/C=C/C 7a_100011215194_100102629194 [0,2,0,0,0,0|1,0,1]=4 17984 B14R0.392 C=CCCCCCCCCOCC#CC 34a_100000761923_100011933949 [0,2,0,0,0,0|1,0,1]=4 17985 B14R0.392 C=CCCCCCCCCOCC#CC 34a_100011215194_100000748600 [0,2,0,0,0,0|1,0,1]=4 17986 B14R0.392 C=CCCCCCCCCOCC#CC 7a_100011215194_100000748600 [0,2,0,0,0,0|1,0,1]=4 17987 B14R0.392 C=CCCCCCCCCOCC=CC 34a_100011215194_100000070051 [0,2,0,0,0,0|1,0,1]=4 17988 B14R0.392 C=CCCCCCCCCOCC=CC 7a_100011215194_100000070051 [0,2,0,0,0,0|1,0,1]=4 17989 B14R0.392 C=CCCCCCCCCOCCC#N 7a_100011215194_100000184422 [0,2,0,0,0,0|1,0,1]=4 17990 B14R0.392 C=CCCCCCCCCOCCC=C 34a_100011205117_100011933949 [0,2,0,0,0,0|1,0,1]=4 17991 B14R0.392 C=CCCCCCCCCOCCC=C 34a_100011215194_100000754431 [0,2,0,0,0,0|1,0,1]=4 17992 B14R0.392 C=CCCCCCCCCOCCC=C 7a_100011215194_100000754431 [0,2,0,0,0,0|1,0,1]=4 17993 B14R0.392 C=CCCCCCCCCOCCCBr 34a_100011217188_100011933949 [0,2,0,0,0,0|1,0,0]=3 17994 B14R0.392 C=CCCCCCCCCOCCCC 34a_100000210227_100011933949 [0,2,0,0,0,0|1,0,0]=3 17995 B14R0.392 C=CCCCCCCCCOCCCC 34a_100011215194_100000210210 [0,2,0,0,0,0|1,0,0]=3 17996 B14R0.392 C=CCCCCCCCCOCCCC 7a_100000210227_100011933949 [0,2,0,0,0,0|1,0,0]=3 17997 B14R0.392 C=CCCCCCCCCOCCCC 7a_100011215194_100000210211 [0,2,0,0,0,0|1,0,0]=3 17998 B14R0.392 C=CCCCCCCCCOCCCCl 34a_100000230001_100011933949 [0,2,0,0,0,0|1,0,0]=3 17999 B14R0.392 C=CCCCCCCCCOCCCF 34a_100000759539_100011933949 [0,2,0,0,0,0|1,0,0]=3 18000 B14R0.392 C=CCCCCCCCCOCCCF 34a_100011215194_100011934791 [0,2,0,0,0,0|1,0,0]=3 18001 B14R0.392 C=CCCCCCCCCOCCCF 7a_100011215194_100011934791 [0,2,0,0,0,0|1,0,0]=3 18002 B14R0.392 C=CCCCCCCCCOCCCN 34a_100000182051_100011933949 [0,2,0,0,0,0|1,0,0]=3 18003 B14R0.392 C=CCCCCCCCCOCCCO 34a_100011215194_100000230001 [0,2,0,0,0,0|1,0,0]=3 18004 B14R0.392 C=CCCCCCCCCOCCCO 7a_100011215194_100011215043 [0,2,0,0,0,0|1,0,0]=3 18005 B14R0.392 C=CCCCCCCCCOCCOC 34a_100000210237_100011933949 [0,2,0,0,0,0|1,0,0]=3 18006 B14R0.392 C=CCCCCCCCCOCCOC 34a_100011215194_100011201679 [0,2,0,0,0,0|1,0,0]=3 18007 B14R0.392 C=CCCCCCCCCOCCOC 7a_100011215194_100000233755 [0,2,0,0,0,0|1,0,0]=3 18008 B14R0.392 C=CCCCCCCCCOCCON 34a_100000700252_100011933949 [0,2,0,0,0,0|2,0,0]=4 18009 B14R0.392 C=CCCCCCCCCOCCSC 34a_100000230434_100011933949 [0,2,0,0,0,0|1,0,0]=3 18010 B14R0.392 C=CCCCCCCCCOCCSC 34a_100011215194_100000212216 [0,2,0,0,0,0|1,0,0]=3 18011 B14R0.392 C=CCCCCCCCCOCCSC 7a_100000230434_100011933949 [0,2,0,0,0,0|1,0,0]=3 18012 B14R0.392 C=CCCCCCCCCOCCSC 7a_100011215194_100000212216 [0,2,0,0,0,0|1,0,0]=3 18013 B14R0.392 C=CCCCCCCCCSC/C=C/C 62a_100011933949_100102629194 [0,2,0,0,0,0|1,0,1]=4 18014 B14R0.392 C=CCCCCCCCCSC/C=C/C 62a_100102629194_100011933949 [0,2,0,0,0,0|1,0,1]=4 18015 B14R0.392 C=CCCCCCCCCSCC#CC 62a_100000748600_100011933949 [0,2,0,0,0,0|1,0,1]=4 18016 B14R0.392 C=CCCCCCCCCSCC#CC 62a_100011933949_100000748600 [0,2,0,0,0,0|1,0,1]=4 18017 B14R0.392 C=CCCCCCCCCSCC=CC 62a_100000070051_100011933949 [0,2,0,0,0,0|1,0,1]=4 18018 B14R0.392 C=CCCCCCCCCSCC=CC 62a_100011933949_100000070051 [0,2,0,0,0,0|1,0,1]=4 18019 B14R0.392 C=CCCCCCCCCSCCC#N 62a_100011215226_100011933949 [0,2,0,0,0,0|1,0,1]=4 18020 B14R0.392 C=CCCCCCCCCSCCC#N 62a_100011933949_100011215226 [0,2,0,0,0,0|1,0,1]=4 18021 B14R0.392 C=CCCCCCCCCSCCC=C 62a_100000754431_100011933949 [0,2,0,0,0,0|1,0,1]=4 18022 B14R0.392 C=CCCCCCCCCSCCC=C 62a_100011933949_100000754431 [0,2,0,0,0,0|1,0,1]=4 18023 B14R0.392 C=CCCCCCCCCSCCCC 62a_100000210211_100011933949 [0,2,0,0,0,0|1,0,0]=3 18024 B14R0.392 C=CCCCCCCCCSCCCC 62a_100011933949_100000210210 [0,2,0,0,0,0|1,0,0]=3 18025 B14R0.392 C=CCCCCCCCCSCCCF 62a_100011933949_100011934791 [0,2,0,0,0,0|1,0,0]=3 18026 B14R0.392 C=CCCCCCCCCSCCCF 62a_100011934791_100011933949 [0,2,0,0,0,0|1,0,0]=3 18027 B14R0.392 C=CCCCCCCCCSCCCO 62a_100011215043_100011933949 [0,2,0,0,0,0|1,0,0]=3 18028 B14R0.392 C=CCCCCCCCCSCCCO 62a_100011933949_100011215043 [0,2,0,0,0,0|1,0,0]=3 18029 B14R0.392 C=CCCCCCCCCSCCOC 62a_100000233755_100011933949 [0,2,0,0,0,0|1,0,0]=3 18030 B14R0.392 C=CCCCCCCCCSCCOC 62a_100011933949_100000233755 [0,2,0,0,0,0|1,0,0]=3 18031 B14R0.392 C=CCCCCCCCCSCCSC 62a_100000212216_100011933949 [0,2,0,0,0,0|1,0,0]=3 18032 B14R0.392 C=CCCCCCCCCSCCSC 62a_100011933949_100000751147 [0,2,0,0,0,0|1,0,0]=3 18033 B14R0.392 C=CCCCCCCCCSCOCC 62a_100000739092_100011933949 [0,2,0,0,0,0|1,0,0]=3 18034 B14R0.392 C=CCCCCCCCCSCOCC 62a_100011933949_100000739092 [0,2,0,0,0,0|1,0,0]=3 18035 B14R0.392 C=CCCCCCCCNCCCC=C 2230a_100000700776_100012355270 [0,2,0,0,0,0|1,0,1]=4 18036 B14R0.392 C=CCCCCCCCNCCCC=C 34a_100000700776_100012355270 [0,2,0,0,0,0|1,0,1]=4 18037 B14R0.392 C=CCCCCCCCNCCCCC 2230a_100000209983_100012355270 [0,2,0,0,0,0|1,0,0]=3 18038 B14R0.392 C=CCCCCCCCNCCCCO 2230a_100000750430_100012355270 [0,2,0,0,0,0|1,0,0]=3 18039 B14R0.392 C=CCCCCCCCNCCCCO 34a_100000750430_100012355270 [0,2,0,0,0,0|1,0,0]=3 18040 B14R0.392 C=CCCCCCCCNCCCOC 34a_100150723488_100012355270 [0,2,0,0,0,0|1,0,0]=3 18041 B14R0.392 C=CCCCCCCCNCCCSC 2230a_100000749238_100012355270 [0,2,0,0,0,0|1,0,0]=3 18042 B14R0.392 C=CCCCCCCCNCCOCC 2230a_102516460346_100012355270 [0,2,0,0,0,0|1,0,0]=3 18043 B14R0.392 C=CCCCCCCCNCCOCC 34a_102516460346_100012355270 [0,2,0,0,0,0|1,0,0]=3 18044 B14R0.392 C=CCCCCCCCNCCSCC 2230a_100000106463_100012355270 [0,2,0,0,0,0|1,0,0]=3 18045 B14R0.392 C=CCCCCCCCOC/C=C\CC 34a_100000730831_100103147603 [0,2,0,0,0,0|1,0,1]=4 18046 B14R0.392 C=CCCCCCCCOC/C=C\CC 34a_100016268518_100012355270 [0,2,0,0,0,0|1,0,1]=4 18047 B14R0.392 C=CCCCCCCCOC/C=C\CC 7a_100000730831_100103147603 [0,2,0,0,0,0|1,0,1]=4 18048 B14R0.392 C=CCCCCCCCOCC#CCC 34a_100000032950_100012355270 [0,2,0,0,0,0|1,0,1]=4 18049 B14R0.392 C=CCCCCCCCOCC#CCC 34a_100000730831_100009813939 [0,2,0,0,0,0|1,0,1]=4 18050 B14R0.392 C=CCCCCCCCOCC#CCC 7a_100000730831_100009813939 [0,2,0,0,0,0|1,0,1]=4 18051 B14R0.392 C=CCCCCCCCOCC/C=C/C 34a_100016278192_100012355270 [0,2,0,0,0,0|1,0,1]=4 18052 B14R0.392 C=CCCCCCCCOCCC#CC 34a_100000750427_100012355270 [0,2,0,0,0,0|1,0,1]=4 18053 B14R0.392 C=CCCCCCCCOCCCC#N 7a_100000730831_100000687738 [0,2,0,0,0,0|1,0,1]=4 18054 B14R0.392 C=CCCCCCCCOCCCC=C 34a_100000730831_100000757094 [0,2,0,0,0,0|1,0,1]=4 18055 B14R0.392 C=CCCCCCCCOCCCC=C 34a_100000758997_100012355270 [0,2,0,0,0,0|1,0,1]=4 18056 B14R0.392 C=CCCCCCCCOCCCC=C 7a_100000730831_100000757094 [0,2,0,0,0,0|1,0,1]=4 18057 B14R0.392 C=CCCCCCCCOCCCC=C 7a_100000758997_100012355270 [0,2,0,0,0,0|1,0,1]=4 18058 B14R0.392 C=CCCCCCCCOCCCC=O 7a_100000730831_200011292268 [0,2,0,0,0,0|0,0,1]=3 18059 B14R0.392 C=CCCCCCCCOCCCCBr 34a_100011216708_100012355270 [0,2,0,0,0,0|1,0,0]=3 18060 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000210253_100012355270 [0,2,0,0,0,0|1,0,0]=3 18061 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000730831_100000718602 [0,2,0,0,0,0|1,0,0]=3 18062 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000210253_100012355270 [0,2,0,0,0,0|1,0,0]=3 18063 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000730831_100000210326 [0,2,0,0,0,0|1,0,0]=3 18064 B14R0.392 C=CCCCCCCCOCCCCCl 34a_100000210776_100012355270 [0,2,0,0,0,0|1,0,0]=3 18065 B14R0.392 C=CCCCCCCCOCCCCCl 7a_100000210776_100012355270 [0,2,0,0,0,0|1,0,0]=3 18066 B14R0.392 C=CCCCCCCCOCCCCF 34a_100000730831_100000729493 [0,2,0,0,0,0|1,0,0]=3 18067 B14R0.392 C=CCCCCCCCOCCCCF 34a_100011995726_100012355270 [0,2,0,0,0,0|1,0,0]=3 18068 B14R0.392 C=CCCCCCCCOCCCCF 7a_100000730831_100000729493 [0,2,0,0,0,0|1,0,0]=3 18069 B14R0.392 C=CCCCCCCCOCCCCF 7a_100011995726_100012355270 [0,2,0,0,0,0|1,0,0]=3 18070 B14R0.392 C=CCCCCCCCOCCCCI 34a_200012148704_100012355270 [0,2,0,0,0,0|1,0,0]=3 18071 B14R0.392 C=CCCCCCCCOCCCCN 34a_100000750430_100012355270 [0,2,0,0,0,0|1,0,0]=3 18072 B14R0.392 C=CCCCCCCCOCCCCO 34a_100000730831_100011216708 [0,2,0,0,0,0|1,0,0]=3 18073 B14R0.392 C=CCCCCCCCOCCCCO 7a_100000730831_100000210776 [0,2,0,0,0,0|1,0,0]=3 18074 B14R0.392 C=CCCCCCCCOCCCNC 34a_100000213112_100012355270 [0,2,0,0,0,0|1,0,0]=3 18075 B14R0.392 C=CCCCCCCCOCCCOC 34a_100000730831_100000740836 [0,2,0,0,0,0|1,0,0]=3 18076 B14R0.392 C=CCCCCCCCOCCCOC 34a_100000740835_100012355270 [0,2,0,0,0,0|1,0,0]=3 18077 B14R0.392 C=CCCCCCCCOCCCOC 7a_100000730831_100000740836 [0,2,0,0,0,0|1,0,0]=3 18078 B14R0.392 C=CCCCCCCCOCCCSC 34a_100000690336_100012355270 [0,2,0,0,0,0|1,0,0]=3 18079 B14R0.392 C=CCCCCCCCOCCCSC 7a_100000690336_100012355270 [0,2,0,0,0,0|1,0,0]=3 18080 B14R0.392 C=CCCCCCCCOCCOCC 34a_100000210136_100012355270 [0,2,0,0,0,0|1,0,0]=3 18081 B14R0.392 C=CCCCCCCCOCCOCC 34a_100000730831_100000210147 [0,2,0,0,0,0|1,0,0]=3 18082 B14R0.392 C=CCCCCCCCOCCOCC 7a_100000210136_100012355270 [0,2,0,0,0,0|1,0,0]=3 18083 B14R0.392 C=CCCCCCCCOCCOCC 7a_100000730831_100011215890 [0,2,0,0,0,0|1,0,0]=3 18084 B14R0.392 C=CCCCCCCCOCCSCC 34a_100000212035_100012355270 [0,2,0,0,0,0|1,0,0]=3 18085 B14R0.392 C=CCCCCCCCOCCSCC 34a_100000730831_100000757381 [0,2,0,0,0,0|1,0,0]=3 18086 B14R0.392 C=CCCCCCCCOCCSCC 7a_100000212035_100012355270 [0,2,0,0,0,0|1,0,0]=3 18087 B14R0.392 C=CCCCCCCCOCCSCC 7a_100000730831_100000757381 [0,2,0,0,0,0|1,0,0]=3 18088 B14R0.392 C=CCCCCCCCSC/C=C\CC 62a_100012355270_100103147603 [0,2,0,0,0,0|1,0,1]=4 18089 B14R0.392 C=CCCCCCCCSC/C=C\CC 62a_100103147603_100012355270 [0,2,0,0,0,0|1,0,1]=4 18090 B14R0.392 C=CCCCCCCCSCC#CCC 62a_100009813939_100012355270 [0,2,0,0,0,0|1,0,1]=4 18091 B14R0.392 C=CCCCCCCCSCC#CCC 62a_100012355270_100009813939 [0,2,0,0,0,0|1,0,1]=4 18092 B14R0.392 C=CCCCCCCCSCCCC#N 62a_100000687738_100012355270 [0,2,0,0,0,0|1,0,1]=4 18093 B14R0.392 C=CCCCCCCCSCCCC#N 62a_100012355270_100000687738 [0,2,0,0,0,0|1,0,1]=4 18094 B14R0.392 C=CCCCCCCCSCCCC=C 62a_100011713584_100012355270 [0,2,0,0,0,0|1,0,1]=4 18095 B14R0.392 C=CCCCCCCCSCCCC=C 62a_100012355270_100000757094 [0,2,0,0,0,0|1,0,1]=4 18096 B14R0.392 C=CCCCCCCCSCCCC=O 62a_100012355270_200011292268 [0,2,0,0,0,0|0,0,1]=3 18097 B14R0.392 C=CCCCCCCCSCCCC=O 62a_200011292268_100012355270 [0,2,0,0,0,0|0,0,1]=3 18098 B14R0.392 C=CCCCCCCCSCCCCC 62a_100000210326_100012355270 [0,2,0,0,0,0|1,0,0]=3 18099 B14R0.392 C=CCCCCCCCSCCCCC 62a_100012355270_100000210326 [0,2,0,0,0,0|1,0,0]=3 18100 B14R0.392 C=CCCCCCCCSCCCCF 62a_100000729493_100012355270 [0,2,0,0,0,0|1,0,0]=3 18101 B14R0.392 C=CCCCCCCCSCCCCF 62a_100012355270_100000729493 [0,2,0,0,0,0|1,0,0]=3 18102 B14R0.392 C=CCCCCCCCSCCCCO 62a_100000210776_100012355270 [0,2,0,0,0,0|1,0,0]=3 18103 B14R0.392 C=CCCCCCCCSCCCCO 62a_100012355270_100000210776 [0,2,0,0,0,0|1,0,0]=3 18104 B14R0.392 C=CCCCCCCCSCCCOC 62a_100000709357_100012355270 [0,2,0,0,0,0|1,0,0]=3 18105 B14R0.392 C=CCCCCCCCSCCCOC 62a_100012355270_100000709357 [0,2,0,0,0,0|1,0,0]=3 18106 B14R0.392 C=CCCCCCCCSCCOCC 62a_100000210147_100012355270 [0,2,0,0,0,0|1,0,0]=3 18107 B14R0.392 C=CCCCCCCCSCCOCC 62a_100012355270_100011215890 [0,2,0,0,0,0|1,0,0]=3 18108 B14R0.392 C=CCCCCCCCSCCSCC 62a_100000757381_100012355270 [0,2,0,0,0,0|1,0,0]=3 18109 B14R0.392 C=CCCCCCCCSCCSCC 62a_100012355270_100000757381 [0,2,0,0,0,0|1,0,0]=3 18110 B14R0.392 C=CCCCCCCNCCCCC=C 2230a_100000703577_100011215473 [0,2,0,0,0,0|1,0,1]=4 18111 B14R0.392 C=CCCCCCCNCCCCC=C 34a_100000703577_100011215473 [0,2,0,0,0,0|1,0,1]=4 18112 B14R0.392 C=CCCCCCCNCCCCCC 2230a_100000210581_100011215473 [0,2,0,0,0,0|1,0,0]=3 18113 B14R0.392 C=CCCCCCCNCCCCCO 2230a_100000762737_100011215473 [0,2,0,0,0,0|1,0,0]=3 18114 B14R0.392 C=CCCCCCCNCCCCCO 34a_100000762737_100011215473 [0,2,0,0,0,0|1,0,0]=3 18115 B14R0.392 C=CCCCCCCNCCCOCC 2230a_100000210961_100011215473 [0,2,0,0,0,0|1,0,0]=3 18116 B14R0.392 C=CCCCCCCNCCCOCC 34a_100000210961_100011215473 [0,2,0,0,0,0|1,0,0]=3 18117 B14R0.392 C=CCCCCCCNCCOCCC 2230a_100161115042_100011215473 [0,2,0,0,0,0|1,0,0]=3 18118 B14R0.392 C=CCCCCCCNCCOCCC 34a_100161115042_100011215473 [0,2,0,0,0,0|1,0,0]=3 18119 B14R0.392 C=CCCCCCCNCCOCCO 2230a_100000211614_100011215473 [0,2,0,0,0,0|2,0,0]=4 18120 B14R0.392 C=CCCCCCCNCCOCCO 34a_100000211614_100011215473 [0,2,0,0,0,0|2,0,0]=4 18121 B14R0.392 C=CCCCCCCNCCSCCC 2230a_100020603323_100011215473 [0,2,0,0,0,0|1,0,0]=3 18122 B14R0.392 C=CCCCCCCNCCSCCO 2230a_100011219999_100011215473 [0,2,0,0,0,0|2,0,0]=4 18123 B14R0.392 C=CCCCCCCOC/C=C/CCC 34a_100016278788_100011215473 [0,2,0,0,0,0|1,0,1]=4 18124 B14R0.392 C=CCCCCCCOC/C=C/CCC 7a_100016278788_100011215473 [0,2,0,0,0,0|1,0,1]=4 18125 B14R0.392 C=CCCCCCCOCC#CCCC 34a_100000034806_100011215473 [0,2,0,0,0,0|1,0,1]=4 18126 B14R0.392 C=CCCCCCCOCC#CCCC 7a_100000034806_100011215473 [0,2,0,0,0,0|1,0,1]=4 18127 B14R0.392 C=CCCCCCCOCC/C=C\CC 34a_100016288707_100011215473 [0,2,0,0,0,0|1,0,1]=4 18128 B14R0.392 C=CCCCCCCOCC/C=C\CC 34a_200011216477_100015370543 [0,2,0,0,0,0|1,0,1]=4 18129 B14R0.392 C=CCCCCCCOCC/C=C\CC 7a_100016288707_100011215473 [0,2,0,0,0,0|1,0,1]=4 18130 B14R0.392 C=CCCCCCCOCC/C=C\CC 7a_200011216477_100015370543 [0,2,0,0,0,0|1,0,1]=4 18131 B14R0.392 C=CCCCCCCOCCC#CCC 34a_100000036655_100011215473 [0,2,0,0,0,0|1,0,1]=4 18132 B14R0.392 C=CCCCCCCOCCC#CCC 7a_100000036655_100011215473 [0,2,0,0,0,0|1,0,1]=4 18133 B14R0.392 C=CCCCCCCOCCCC=CC 34a_100020645299_100011215473 [0,2,0,0,0,0|1,0,1]=4 18134 B14R0.392 C=CCCCCCCOCCCCC#N 7a_200011216477_100000211819 [0,2,0,0,0,0|1,0,1]=4 18135 B14R0.392 C=CCCCCCCOCCCCC=C 34a_100000766645_100011215473 [0,2,0,0,0,0|1,0,1]=4 18136 B14R0.392 C=CCCCCCCOCCCCC=C 34a_200011216477_100011215482 [0,2,0,0,0,0|1,0,1]=4 18137 B14R0.392 C=CCCCCCCOCCCCC=C 7a_100000766645_100011215473 [0,2,0,0,0,0|1,0,1]=4 18138 B14R0.392 C=CCCCCCCOCCCCC=C 7a_200011216477_100011215482 [0,2,0,0,0,0|1,0,1]=4 18139 B14R0.392 C=CCCCCCCOCCCCC=O 7a_200011216477_100000139335 [0,2,0,0,0,0|0,0,1]=3 18140 B14R0.392 C=CCCCCCCOCCCCCBr 34a_100000746331_100011215473 [0,2,0,0,0,0|1,0,0]=3 18141 B14R0.392 C=CCCCCCCOCCCCCBr 7a_100000746331_100011215473 [0,2,0,0,0,0|1,0,0]=3 18142 B14R0.392 C=CCCCCCCOCCCCCC 34a_100000210259_100011215473 [0,2,0,0,0,0|1,0,0]=3 18143 B14R0.392 C=CCCCCCCOCCCCCC 34a_200011216477_100000210314 [0,2,0,0,0,0|1,0,0]=3 18144 B14R0.392 C=CCCCCCCOCCCCCC 7a_100000210259_100011215473 [0,2,0,0,0,0|1,0,0]=3 18145 B14R0.392 C=CCCCCCCOCCCCCC 7a_200011216477_100000210314 [0,2,0,0,0,0|1,0,0]=3 18146 B14R0.392 C=CCCCCCCOCCCCCCl 34a_100000746330_100011215473 [0,2,0,0,0,0|1,0,0]=3 18147 B14R0.392 C=CCCCCCCOCCCCCCl 7a_100000746330_100011215473 [0,2,0,0,0,0|1,0,0]=3 18148 B14R0.392 C=CCCCCCCOCCCCCF 34a_200011216477_100000729378 [0,2,0,0,0,0|1,0,0]=3 18149 B14R0.392 C=CCCCCCCOCCCCCF 7a_200011216477_100000729378 [0,2,0,0,0,0|1,0,0]=3 18150 B14R0.392 C=CCCCCCCOCCCCCI 34a_200012148887_100011215473 [0,2,0,0,0,0|1,0,0]=3 18151 B14R0.392 C=CCCCCCCOCCCCCI 7a_200012148887_100011215473 [0,2,0,0,0,0|1,0,0]=3 18152 B14R0.392 C=CCCCCCCOCCCCCN 34a_100000762737_100011215473 [0,2,0,0,0,0|1,0,0]=3 18153 B14R0.392 C=CCCCCCCOCCCCCO 34a_200011216477_100000746330 [0,2,0,0,0,0|1,0,0]=3 18154 B14R0.392 C=CCCCCCCOCCCCCO 7a_200011216477_100000746330 [0,2,0,0,0,0|1,0,0]=3 18155 B14R0.392 C=CCCCCCCOCCCCOC 34a_100000740925_100011215473 [0,2,0,0,0,0|1,0,0]=3 18156 B14R0.392 C=CCCCCCCOCCCCOC 34a_200011216477_100000755781 [0,2,0,0,0,0|1,0,0]=3 18157 B14R0.392 C=CCCCCCCOCCCCOC 7a_200011216477_100000730899 [0,2,0,0,0,0|1,0,0]=3 18158 B14R0.392 C=CCCCCCCOCCCCSC 34a_100011217163_100011215473 [0,2,0,0,0,0|1,0,0]=3 18159 B14R0.392 C=CCCCCCCOCCCCSC 7a_100011217163_100011215473 [0,2,0,0,0,0|1,0,0]=3 18160 B14R0.392 C=CCCCCCCOCCCOCC 34a_100000757476_100011215473 [0,2,0,0,0,0|1,0,0]=3 18161 B14R0.392 C=CCCCCCCOCCCOCC 34a_200011216477_100012232248 [0,2,0,0,0,0|1,0,0]=3 18162 B14R0.392 C=CCCCCCCOCCCOCC 7a_100000757476_100011215473 [0,2,0,0,0,0|1,0,0]=3 18163 B14R0.392 C=CCCCCCCOCCCOCC 7a_200011216477_100012232248 [0,2,0,0,0,0|1,0,0]=3 18164 B14R0.392 C=CCCCCCCOCCCSCC 34a_100011216438_100011215473 [0,2,0,0,0,0|1,0,0]=3 18165 B14R0.392 C=CCCCCCCOCCCSCC 7a_100011216438_100011215473 [0,2,0,0,0,0|1,0,0]=3 18166 B14R0.392 C=CCCCCCCOCCOCCBr 34a_100000692535_100011215473 [0,2,0,0,0,0|2,0,0]=4 18167 B14R0.392 C=CCCCCCCOCCOCCBr 7a_100000692535_100011215473 [0,2,0,0,0,0|2,0,0]=4 18168 B14R0.392 C=CCCCCCCOCCOCCC 34a_100000752267_100011215473 [0,2,0,0,0,0|1,0,0]=3 18169 B14R0.392 C=CCCCCCCOCCOCCC 34a_200011216477_100011215938 [0,2,0,0,0,0|1,0,0]=3 18170 B14R0.392 C=CCCCCCCOCCOCCC 7a_100000752267_100011215473 [0,2,0,0,0,0|1,0,0]=3 18171 B14R0.392 C=CCCCCCCOCCOCCC 7a_200011216477_100011215938 [0,2,0,0,0,0|1,0,0]=3 18172 B14R0.392 C=CCCCCCCOCCOCCCl 34a_100011215305_100011215473 [0,2,0,0,0,0|2,0,0]=4 18173 B14R0.392 C=CCCCCCCOCCOCCCl 7a_100011215305_100011215473 [0,2,0,0,0,0|2,0,0]=4 18174 B14R0.392 C=CCCCCCCOCCOCCF 34a_200015357709_100011215473 [0,2,0,0,0,0|2,0,0]=4 18175 B14R0.392 C=CCCCCCCOCCOCCF 7a_200015357709_100011215473 [0,2,0,0,0,0|2,0,0]=4 18176 B14R0.392 C=CCCCCCCOCCOCCI 34a_100012149058_100011215473 [0,2,0,0,0,0|2,0,0]=4 18177 B14R0.392 C=CCCCCCCOCCOCCI 7a_100012149058_100011215473 [0,2,0,0,0,0|2,0,0]=4 18178 B14R0.392 C=CCCCCCCOCCOCCN 34a_100000211614_100011215473 [0,2,0,0,0,0|2,0,0]=4 18179 B14R0.392 C=CCCCCCCOCCOCCO 34a_200011216477_100000692535 [0,2,0,0,0,0|2,0,0]=4 18180 B14R0.392 C=CCCCCCCOCCOCCO 7a_200011216477_100011215305 [0,2,0,0,0,0|2,0,0]=4 18181 B14R0.392 C=CCCCCCCOCCSCCC 34a_200000230433_100011215473 [0,2,0,0,0,0|1,0,0]=3 18182 B14R0.392 C=CCCCCCCOCCSCCC 7a_200000230433_100011215473 [0,2,0,0,0,0|1,0,0]=3 18183 B14R0.392 C=CCCCCCCOCOCCCC 34a_200011216477_100011995733 [0,2,0,0,0,0|1,0,0]=3 18184 B14R0.392 C=CCCCCCCSCC/C=C\CC 62a_100011215473_100015370543 [0,2,0,0,0,0|1,0,1]=4 18185 B14R0.392 C=CCCCCCCSCC/C=C\CC 62a_100015370543_100011215473 [0,2,0,0,0,0|1,0,1]=4 18186 B14R0.392 C=CCCCCCCSCCCCC#N 62a_100011215473_100000211819 [0,2,0,0,0,0|1,0,1]=4 18187 B14R0.392 C=CCCCCCCSCCCCC#N 62a_100011219923_100011215473 [0,2,0,0,0,0|1,0,1]=4 18188 B14R0.392 C=CCCCCCCSCCCCC=C 62a_100011215473_100011215482 [0,2,0,0,0,0|1,0,1]=4 18189 B14R0.392 C=CCCCCCCSCCCCC=C 62a_100011215482_100011215473 [0,2,0,0,0,0|1,0,1]=4 18190 B14R0.392 C=CCCCCCCSCCCCC=O 62a_100000139335_100011215473 [0,2,0,0,0,0|0,0,1]=3 18191 B14R0.392 C=CCCCCCCSCCCCC=O 62a_100011215473_100000139335 [0,2,0,0,0,0|0,0,1]=3 18192 B14R0.392 C=CCCCCCCSCCCCCC 62a_100000210314_100011215473 [0,2,0,0,0,0|1,0,0]=3 18193 B14R0.392 C=CCCCCCCSCCCCCC 62a_100011215473_100000210757 [0,2,0,0,0,0|1,0,0]=3 18194 B14R0.392 C=CCCCCCCSCCCCCF 62a_100000729378_100011215473 [0,2,0,0,0,0|1,0,0]=3 18195 B14R0.392 C=CCCCCCCSCCCCCF 62a_100011215473_100000729378 [0,2,0,0,0,0|1,0,0]=3 18196 B14R0.392 C=CCCCCCCSCCCCCO 62a_100000746330_100011215473 [0,2,0,0,0,0|1,0,0]=3 18197 B14R0.392 C=CCCCCCCSCCCCCO 62a_100011215473_100000746330 [0,2,0,0,0,0|1,0,0]=3 18198 B14R0.392 C=CCCCCCCSCCCCOC 62a_100000730899_100011215473 [0,2,0,0,0,0|1,0,0]=3 18199 B14R0.392 C=CCCCCCCSCCCCOC 62a_100011215473_100000730899 [0,2,0,0,0,0|1,0,0]=3 18200 B14R0.392 C=CCCCCCCSCCCOCC 62a_100011215473_100012232248 [0,2,0,0,0,0|1,0,0]=3 18201 B14R0.392 C=CCCCCCCSCCCOCC 62a_100012232248_100011215473 [0,2,0,0,0,0|1,0,0]=3 18202 B14R0.392 C=CCCCCCCSCCOCCC 62a_100011215473_100011215938 [0,2,0,0,0,0|1,0,0]=3 18203 B14R0.392 C=CCCCCCCSCCOCCC 62a_100011215938_100011215473 [0,2,0,0,0,0|1,0,0]=3 18204 B14R0.392 C=CCCCCCCSCCOCCO 62a_100011215305_100011215473 [0,2,0,0,0,0|2,0,0]=4 18205 B14R0.392 C=CCCCCCCSCCOCCO 62a_100011215473_100011215305 [0,2,0,0,0,0|2,0,0]=4 18206 B14R0.392 C=CCCCCCCSCOCCCC 62a_100011215473_100011995733 [0,2,0,0,0,0|1,0,0]=3 18207 B14R0.392 C=CCCCCCCSCOCCCC 62a_100011995733_100011215473 [0,2,0,0,0,0|1,0,0]=3 18208 B14R0.392 C=CCCCCCCSCOCCOC 62a_100000231047_100011215473 [0,2,0,0,0,0|2,0,0]=4 18209 B14R0.392 C=CCCCCCCSCOCCOC 62a_100011215473_100000231047 [0,2,0,0,0,0|2,0,0]=4 18210 B14R0.392 C=CCCCCCNCCCCCCC 2230a_100000229938_100000700193 [0,2,0,0,0,0|1,0,0]=3 18211 B14R0.392 C=CCCCCCNCCCCCCO 2230a_100000686447_100000700193 [0,2,0,0,0,0|1,0,0]=3 18212 B14R0.392 C=CCCCCCNCCCCCCO 34a_100000686447_100000700193 [0,2,0,0,0,0|1,0,0]=3 18213 B14R0.392 C=CCCCCCNCCCCCOC 2230a_100000747528_100000700193 [0,2,0,0,0,0|1,0,0]=3 18214 B14R0.392 C=CCCCCCNCCCCCOC 34a_100000747528_100000700193 [0,2,0,0,0,0|1,0,0]=3 18215 B14R0.392 C=CCCCCCNCCCOCCC 2230a_100011217757_100000700193 [0,2,0,0,0,0|1,0,0]=3 18216 B14R0.392 C=CCCCCCNCCCOCCC 34a_100011217757_100000700193 [0,2,0,0,0,0|1,0,0]=3 18217 B14R0.392 C=CCCCCCNCCOCCOC 2230a_100000745349_100000700193 [0,2,0,0,0,0|2,0,0]=4 18218 B14R0.392 C=CCCCCCNCCOCCOC 34a_100000745349_100000700193 [0,2,0,0,0,0|2,0,0]=4 18219 B14R0.392 C=CCCCCCNCCSCCCC 2230a_100025743550_100000700193 [0,2,0,0,0,0|1,0,0]=3 18220 B14R0.392 C=CCCCCCOC/C=C/CCCC 34a_200016272032_100000700193 [0,2,0,0,0,0|1,0,1]=4 18221 B14R0.392 C=CCCCCCOC/C=C/CCCC 7a_200016272032_100000700193 [0,2,0,0,0,0|1,0,1]=4 18222 B14R0.392 C=CCCCCCOCC#CCCCC 34a_200000034558_100000700193 [0,2,0,0,0,0|1,0,1]=4 18223 B14R0.392 C=CCCCCCOCC#CCCCC 7a_200000034558_100000700193 [0,2,0,0,0,0|1,0,1]=4 18224 B14R0.392 C=CCCCCCOCCC#CCCC 34a_100000042726_100000700193 [0,2,0,0,0,0|1,0,1]=4 18225 B14R0.392 C=CCCCCCOCCC#CCCC 7a_100000042726_100000700193 [0,2,0,0,0,0|1,0,1]=4 18226 B14R0.392 C=CCCCCCOCCC/C=C/CC 34a_100016287902_100000700193 [0,2,0,0,0,0|1,0,1]=4 18227 B14R0.392 C=CCCCCCOCCC/C=C/CC 7a_100016287902_100000700193 [0,2,0,0,0,0|1,0,1]=4 18228 B14R0.392 C=CCCCCCOCCCCCC#N 7a_100011216702_100009813376 [0,2,0,0,0,0|1,0,1]=4 18229 B14R0.392 C=CCCCCCOCCCCCC=C 34a_100011216702_100000700193 [0,2,0,0,0,0|1,0,1]=4 18230 B14R0.392 C=CCCCCCOCCCCCC=C 7a_100011216702_100000700193 [0,2,0,0,0,0|1,0,1]=4 18231 B14R0.392 C=CCCCCCOCCCCCC=O 7a_100011216702_100000139337 [0,2,0,0,0,0|0,0,1]=3 18232 B14R0.392 C=CCCCCCOCCCCCCBr 34a_100011215345_100000700193 [0,2,0,0,0,0|1,0,0]=3 18233 B14R0.392 C=CCCCCCOCCCCCCBr 7a_100011215345_100000700193 [0,2,0,0,0,0|1,0,0]=3 18234 B14R0.392 C=CCCCCCOCCCCCCC 34a_100000210272_100000700193 [0,2,0,0,0,0|1,0,0]=3 18235 B14R0.392 C=CCCCCCOCCCCCCC 34a_100011216702_100000210614 [0,2,0,0,0,0|1,0,0]=3 18236 B14R0.392 C=CCCCCCOCCCCCCC 7a_100000210272_100000700193 [0,2,0,0,0,0|1,0,0]=3 18237 B14R0.392 C=CCCCCCOCCCCCCC 7a_100011216702_100000210614 [0,2,0,0,0,0|1,0,0]=3 18238 B14R0.392 C=CCCCCCOCCCCCCCl 34a_100000766143_100000700193 [0,2,0,0,0,0|1,0,0]=3 18239 B14R0.392 C=CCCCCCOCCCCCCCl 7a_100000766143_100000700193 [0,2,0,0,0,0|1,0,0]=3 18240 B14R0.392 C=CCCCCCOCCCCCCF 34a_100000732779_100000700193 [0,2,0,0,0,0|1,0,0]=3 18241 B14R0.392 C=CCCCCCOCCCCCCF 34a_100011216702_100015922095 [0,2,0,0,0,0|1,0,0]=3 18242 B14R0.392 C=CCCCCCOCCCCCCF 7a_100000732779_100000700193 [0,2,0,0,0,0|1,0,0]=3 18243 B14R0.392 C=CCCCCCOCCCCCCF 7a_100011216702_100015922095 [0,2,0,0,0,0|1,0,0]=3 18244 B14R0.392 C=CCCCCCOCCCCCCN 34a_100000686447_100000700193 [0,2,0,0,0,0|1,0,0]=3 18245 B14R0.392 C=CCCCCCOCCCCCCO 34a_100011216702_100000766143 [0,2,0,0,0,0|1,0,0]=3 18246 B14R0.392 C=CCCCCCOCCCCCCO 7a_100011216702_100000766143 [0,2,0,0,0,0|1,0,0]=3 18247 B14R0.392 C=CCCCCCOCCCCCNC 34a_100000722520_100000700193 [0,2,0,0,0,0|1,0,0]=3 18248 B14R0.392 C=CCCCCCOCCOCCCC 34a_100000210238_100000700193 [0,2,0,0,0,0|1,0,0]=3 18249 B14R0.392 C=CCCCCCOCCOCCCC 34a_100011216702_100000743108 [0,2,0,0,0,0|1,0,0]=3 18250 B14R0.392 C=CCCCCCOCCOCCCC 7a_100000210238_100000700193 [0,2,0,0,0,0|1,0,0]=3 18251 B14R0.392 C=CCCCCCOCCOCCCC 7a_100011216702_100000743108 [0,2,0,0,0,0|1,0,0]=3 18252 B14R0.392 C=CCCCCCOCCOCCNC 34a_100000228057_100000700193 [0,2,0,0,0,0|2,0,0]=4 18253 B14R0.392 C=CCCCCCOCCOCCOC 34a_100011215163_100000700193 [0,2,0,0,0,0|2,0,0]=4 18254 B14R0.392 C=CCCCCCOCCOCCOC 34a_100011216702_100000695917 [0,2,0,0,0,0|2,0,0]=4 18255 B14R0.392 C=CCCCCCOCCOCCOC 7a_100011215163_100000700193 [0,2,0,0,0,0|2,0,0]=4 18256 B14R0.392 C=CCCCCCOCCOCCOC 7a_100011216702_100000695917 [0,2,0,0,0,0|2,0,0]=4 18257 B14R0.392 C=CCCCCCOCCSCCCC 34a_200000230436_100000700193 [0,2,0,0,0,0|1,0,0]=3 18258 B14R0.392 C=CCCCCCOCCSCCCC 7a_200000230436_100000700193 [0,2,0,0,0,0|1,0,0]=3 18259 B14R0.392 C=CCCCCCSCCCCCC#N 62a_100000700193_100009813376 [0,2,0,0,0,0|1,0,1]=4 18260 B14R0.392 C=CCCCCCSCCCCCC#N 62a_100009813376_100000700193 [0,2,0,0,0,0|1,0,1]=4 18261 B14R0.392 C=CCCCCCSCCCCCC=C 62a_100000700193_100000700193 [0,2,0,0,0,0|1,0,1]=4 18262 B14R0.392 C=CCCCCCSCCCCCC=O 62a_100000139337_100000700193 [0,2,0,0,0,0|0,0,1]=3 18263 B14R0.392 C=CCCCCCSCCCCCC=O 62a_100000700193_100000139337 [0,2,0,0,0,0|0,0,1]=3 18264 B14R0.392 C=CCCCCCSCCCCCCC 62a_100000210614_100000700193 [0,2,0,0,0,0|1,0,0]=3 18265 B14R0.392 C=CCCCCCSCCCCCCC 62a_100000700193_100000210316 [0,2,0,0,0,0|1,0,0]=3 18266 B14R0.392 C=CCCCCCSCCCCCCF 62a_100000700193_100015922095 [0,2,0,0,0,0|1,0,0]=3 18267 B14R0.392 C=CCCCCCSCCCCCCF 62a_100015922095_100000700193 [0,2,0,0,0,0|1,0,0]=3 18268 B14R0.392 C=CCCCCCSCCCCCCO 62a_100000700193_100000766143 [0,2,0,0,0,0|1,0,0]=3 18269 B14R0.392 C=CCCCCCSCCCCCCO 62a_100000766143_100000700193 [0,2,0,0,0,0|1,0,0]=3 18270 B14R0.392 C=CCCCCCSCCOCCCC 62a_100000700193_100000743108 [0,2,0,0,0,0|1,0,0]=3 18271 B14R0.392 C=CCCCCCSCCOCCCC 62a_100000743108_100000700193 [0,2,0,0,0,0|1,0,0]=3 18272 B14R0.392 C=CCCCCCSCCOCCOC 62a_100000695917_100000700193 [0,2,0,0,0,0|2,0,0]=4 18273 B14R0.392 C=CCCCCCSCCOCCOC 62a_100000700193_100000695917 [0,2,0,0,0,0|2,0,0]=4 18274 B14R0.392 C=CCCCCNCC#CCCCCC 2230a_100000703577_100009816472 [0,2,0,0,0,0|1,0,1]=4 18275 B14R0.392 C=CCCCCNCC#CCCCCC 34a_100000703577_100009816472 [0,2,0,0,0,0|1,0,1]=4 18276 B14R0.392 C=CCCCCNCCCCCCC#N 2230a_100000703577_100009813337 [0,2,0,0,0,0|1,0,1]=4 18277 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000229939_100011215482 [0,2,0,0,0,0|1,0,0]=3 18278 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000703577_100000210759 [0,2,0,0,0,0|1,0,0]=3 18279 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000229939_100011215482 [0,2,0,0,0,0|1,0,0]=3 18280 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000703577_100000210759 [0,2,0,0,0,0|1,0,0]=3 18281 B14R0.392 C=CCCCCNCCCCCCCO 2230a_100000703577_100000760002 [0,2,0,0,0,0|1,0,0]=3 18282 B14R0.392 C=CCCCCNCCCCCCCO 2230a_100011996573_100011215482 [0,2,0,0,0,0|1,0,0]=3 18283 B14R0.392 C=CCCCCNCCCCCCCO 34a_100000703577_100000760002 [0,2,0,0,0,0|1,0,0]=3 18284 B14R0.392 C=CCCCCNCCCCCCCO 34a_100011996573_100011215482 [0,2,0,0,0,0|1,0,0]=3 18285 B14R0.392 C=CCCCCNCCCCCCOC 2230a_100000703577_100011998445 [0,2,0,0,0,0|1,0,0]=3 18286 B14R0.392 C=CCCCCNCCCCCCOC 34a_100000703577_100011998445 [0,2,0,0,0,0|1,0,0]=3 18287 B14R0.392 C=CCCCCNCCCOCCCC 2230a_200000211371_100011215482 [0,2,0,0,0,0|1,0,0]=3 18288 B14R0.392 C=CCCCCNCCCOCCCC 34a_200000211371_100011215482 [0,2,0,0,0,0|1,0,0]=3 18289 B14R0.392 C=CCCCCNCCCOCCCO 2230a_100011310245_100011215482 [0,2,0,0,0,0|2,0,0]=4 18290 B14R0.392 C=CCCCCNCCCOCCCO 34a_100011310245_100011215482 [0,2,0,0,0,0|2,0,0]=4 18291 B14R0.392 C=CCCCCNCCCOCCOC 2230a_100000206027_100011215482 [0,2,0,0,0,0|2,0,0]=4 18292 B14R0.392 C=CCCCCNCCCOCCOC 2230a_100000703577_100011216529 [0,2,0,0,0,0|2,0,0]=4 18293 B14R0.392 C=CCCCCNCCCOCCOC 34a_100000206027_100011215482 [0,2,0,0,0,0|2,0,0]=4 18294 B14R0.392 C=CCCCCNCCCOCCOC 34a_100000703577_100011216529 [0,2,0,0,0,0|2,0,0]=4 18295 B14R0.392 C=CCCCCNCCOCCOCC 2230a_100000703577_100011211534 [0,2,0,0,0,0|2,0,0]=4 18296 B14R0.392 C=CCCCCNCCOCCOCC 2230a_100102712874_100011215482 [0,2,0,0,0,0|2,0,0]=4 18297 B14R0.392 C=CCCCCNCCOCCOCC 34a_100000703577_100011211534 [0,2,0,0,0,0|2,0,0]=4 18298 B14R0.392 C=CCCCCNCCOCCOCC 34a_100102712874_100011215482 [0,2,0,0,0,0|2,0,0]=4 18299 B14R0.392 C=CCCCCOC/C=C/CCCCC 34a_100016258190_100011215482 [0,2,0,0,0,0|1,0,1]=4 18300 B14R0.392 C=CCCCCOC/C=C/CCCCC 7a_100016258190_100011215482 [0,2,0,0,0,0|1,0,1]=4 18301 B14R0.392 C=CCCCCOCC#CCCCCC 34a_100000766645_100009816472 [0,2,0,0,0,0|1,0,1]=4 18302 B14R0.392 C=CCCCCOCC#CCCCCC 34a_200000033628_100011215482 [0,2,0,0,0,0|1,0,1]=4 18303 B14R0.392 C=CCCCCOCC#CCCCCC 7a_100000766645_100009816472 [0,2,0,0,0,0|1,0,1]=4 18304 B14R0.392 C=CCCCCOCC#CCCCCC 7a_200000033628_100011215482 [0,2,0,0,0,0|1,0,1]=4 18305 B14R0.392 C=CCCCCOCC/C=C\CCCC 34a_200016286491_100011215482 [0,2,0,0,0,0|1,0,1]=4 18306 B14R0.392 C=CCCCCOCC/C=C\CCCC 7a_200016286491_100011215482 [0,2,0,0,0,0|1,0,1]=4 18307 B14R0.392 C=CCCCCOCCC#CCCCC 34a_100000037610_100011215482 [0,2,0,0,0,0|1,0,1]=4 18308 B14R0.392 C=CCCCCOCCC#CCCCC 7a_100000037610_100011215482 [0,2,0,0,0,0|1,0,1]=4 18309 B14R0.392 C=CCCCCOCCCC/C=C\CC 34a_100016287862_100011215482 [0,2,0,0,0,0|1,0,1]=4 18310 B14R0.392 C=CCCCCOCCCC/C=C\CC 7a_100016287862_100011215482 [0,2,0,0,0,0|1,0,1]=4 18311 B14R0.392 C=CCCCCOCCCCCCC#N 7a_100000766645_100009813337 [0,2,0,0,0,0|1,0,1]=4 18312 B14R0.392 C=CCCCCOCCCCCCCBr 34a_100000760002_100011215482 [0,2,0,0,0,0|1,0,0]=3 18313 B14R0.392 C=CCCCCOCCCCCCCBr 7a_100000760002_100011215482 [0,2,0,0,0,0|1,0,0]=3 18314 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000210232_100011215482 [0,2,0,0,0,0|1,0,0]=3 18315 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000766645_100000210759 [0,2,0,0,0,0|1,0,0]=3 18316 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000210232_100011215482 [0,2,0,0,0,0|1,0,0]=3 18317 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000766645_100000210759 [0,2,0,0,0,0|1,0,0]=3 18318 B14R0.392 C=CCCCCOCCCCCCCN 34a_100011996573_100011215482 [0,2,0,0,0,0|1,0,0]=3 18319 B14R0.392 C=CCCCCOCCCCCCCO 34a_100000766645_100000760002 [0,2,0,0,0,0|1,0,0]=3 18320 B14R0.392 C=CCCCCOCCCCCCCO 7a_100000766645_100000760002 [0,2,0,0,0,0|1,0,0]=3 18321 B14R0.392 C=CCCCCOCCCCCCOC 34a_100000766645_100011998445 [0,2,0,0,0,0|1,0,0]=3 18322 B14R0.392 C=CCCCCOCCCCCCOC 34a_200012092642_100011215482 [0,2,0,0,0,0|1,0,0]=3 18323 B14R0.392 C=CCCCCOCCCCCCOC 7a_100000766645_100011998445 [0,2,0,0,0,0|1,0,0]=3 18324 B14R0.392 C=CCCCCOCCCCCCOC 7a_200012092642_100011215482 [0,2,0,0,0,0|1,0,0]=3 18325 B14R0.392 C=CCCCCOCCCOCCCC 34a_200011215613_100011215482 [0,2,0,0,0,0|1,0,0]=3 18326 B14R0.392 C=CCCCCOCCCOCCCC 7a_200011215613_100011215482 [0,2,0,0,0,0|1,0,0]=3 18327 B14R0.392 C=CCCCCOCCCOCCCN 34a_100011310245_100011215482 [0,2,0,0,0,0|2,0,0]=4 18328 B14R0.392 C=CCCCCOCCCOCCOC 34a_100000766645_100011216529 [0,2,0,0,0,0|2,0,0]=4 18329 B14R0.392 C=CCCCCOCCCOCCOC 7a_100000766645_100011216529 [0,2,0,0,0,0|2,0,0]=4 18330 B14R0.392 C=CCCCCOCCNCCCCC 34a_100000224656_100011215482 [0,2,0,0,0,0|1,0,0]=3 18331 B14R0.392 C=CCCCCOCCOCCCCC 34a_100011215259_100011215482 [0,2,0,0,0,0|1,0,0]=3 18332 B14R0.392 C=CCCCCOCCOCCCCC 7a_100011215259_100011215482 [0,2,0,0,0,0|1,0,0]=3 18333 B14R0.392 C=CCCCCOCCOCCOCC 34a_100000210240_100011215482 [0,2,0,0,0,0|2,0,0]=4 18334 B14R0.392 C=CCCCCOCCOCCOCC 34a_100000766645_100011211534 [0,2,0,0,0,0|2,0,0]=4 18335 B14R0.392 C=CCCCCOCCOCCOCC 7a_100000210240_100011215482 [0,2,0,0,0,0|2,0,0]=4 18336 B14R0.392 C=CCCCCOCCOCCOCC 7a_100000766645_100011211534 [0,2,0,0,0,0|2,0,0]=4 18337 B14R0.392 C=CCCCCSCC#CCCCCC 62a_100009816472_100011215482 [0,2,0,0,0,0|1,0,1]=4 18338 B14R0.392 C=CCCCCSCC#CCCCCC 62a_100011215482_100009816472 [0,2,0,0,0,0|1,0,1]=4 18339 B14R0.392 C=CCCCCSCCCCCCC#N 62a_100009813337_100011215482 [0,2,0,0,0,0|1,0,1]=4 18340 B14R0.392 C=CCCCCSCCCCCCC#N 62a_100011215482_100009813337 [0,2,0,0,0,0|1,0,1]=4 18341 B14R0.392 C=CCCCCSCCCCCCCC 62a_100000210759_100011215482 [0,2,0,0,0,0|1,0,0]=3 18342 B14R0.392 C=CCCCCSCCCCCCCC 62a_100011215482_100000210317 [0,2,0,0,0,0|1,0,0]=3 18343 B14R0.392 C=CCCCCSCCCCCCCO 62a_100000760002_100011215482 [0,2,0,0,0,0|1,0,0]=3 18344 B14R0.392 C=CCCCCSCCCCCCCO 62a_100011215482_100000760002 [0,2,0,0,0,0|1,0,0]=3 18345 B14R0.392 C=CCCCCSCCCCCCOC 62a_100011215482_100011998445 [0,2,0,0,0,0|1,0,0]=3 18346 B14R0.392 C=CCCCCSCCCCCCOC 62a_100011998445_100011215482 [0,2,0,0,0,0|1,0,0]=3 18347 B14R0.392 C=CCCCCSCCCOCCOC 62a_100011215482_100011216529 [0,2,0,0,0,0|2,0,0]=4 18348 B14R0.392 C=CCCCCSCCCOCCOC 62a_100011216529_100011215482 [0,2,0,0,0,0|2,0,0]=4 18349 B14R0.392 C=CCCCCSCCOCCOCC 62a_100011211534_100011215482 [0,2,0,0,0,0|2,0,0]=4 18350 B14R0.392 C=CCCCCSCCOCCOCC 62a_100011215482_100011211534 [0,2,0,0,0,0|2,0,0]=4 18351 B14R0.392 C=CCCCNCCCC#CCCCC 2230a_100000700776_200000047210 [0,2,0,0,0,0|1,0,1]=4 18352 B14R0.392 C=CCCCNCCCC#CCCCC 34a_100000700776_200000047210 [0,2,0,0,0,0|1,0,1]=4 18353 B14R0.392 C=CCCCNCCCCC/C=C\CC 269862a_100000700776_100016288537 [0,2,0,0,0,0|1,0,1]=4 18354 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000212291_100011713584 [0,2,0,0,0,0|1,0,0]=3 18355 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000700776_100011214924 [0,2,0,0,0,0|1,0,0]=3 18356 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000212291_100000757094 [0,2,0,0,0,0|1,0,0]=3 18357 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000700776_100011214924 [0,2,0,0,0,0|1,0,0]=3 18358 B14R0.392 C=CCCCNCCCCCCCCO 2230a_100000700776_100000033203 [0,2,0,0,0,0|1,0,0]=3 18359 B14R0.392 C=CCCCNCCCCCCCCO 2230a_102515433106_100011713584 [0,2,0,0,0,0|1,0,0]=3 18360 B14R0.392 C=CCCCNCCCCCCCCO 34a_100000700776_100000033203 [0,2,0,0,0,0|1,0,0]=3 18361 B14R0.392 C=CCCCNCCCCCCCCO 34a_102515433106_100000757094 [0,2,0,0,0,0|1,0,0]=3 18362 B14R0.392 C=CCCCNCCOCCOCCC 2230a_200011904461_100011713584 [0,2,0,0,0,0|2,0,0]=4 18363 B14R0.392 C=CCCCNCCOCCOCCC 34a_200011904461_100000757094 [0,2,0,0,0,0|2,0,0]=4 18364 B14R0.392 C=CCCCOC/C=C/CCCCCC 34a_200016276170_100000757094 [0,2,0,0,0,0|1,0,1]=4 18365 B14R0.392 C=CCCCOC/C=C/CCCCCC 7a_200016276170_100000757094 [0,2,0,0,0,0|1,0,1]=4 18366 B14R0.392 C=CCCCOCC#CCCCCCC 34a_200000037284_100000757094 [0,2,0,0,0,0|1,0,1]=4 18367 B14R0.392 C=CCCCOCC#CCCCCCC 7a_200000037284_100000757094 [0,2,0,0,0,0|1,0,1]=4 18368 B14R0.392 C=CCCCOCC/C=C\CCCCC 34a_100016277358_100000757094 [0,2,0,0,0,0|1,0,1]=4 18369 B14R0.392 C=CCCCOCC/C=C\CCCCC 7a_100016277358_100000757094 [0,2,0,0,0,0|1,0,1]=4 18370 B14R0.392 C=CCCCOCCC#CCCCCC 34a_200000042877_100000757094 [0,2,0,0,0,0|1,0,1]=4 18371 B14R0.392 C=CCCCOCCC#CCCCCC 7a_200000042877_100000757094 [0,2,0,0,0,0|1,0,1]=4 18372 B14R0.392 C=CCCCOCCCC#CCCCC 34a_100000758997_200000047210 [0,2,0,0,0,0|1,0,1]=4 18373 B14R0.392 C=CCCCOCCCC#CCCCC 7a_100000758997_200000047210 [0,2,0,0,0,0|1,0,1]=4 18374 B14R0.392 C=CCCCOCCCCC/C=C\CC 34a_100016268722_100000757094 [0,2,0,0,0,0|1,0,1]=4 18375 B14R0.392 C=CCCCOCCCCC/C=C\CC 7a_100016268722_100000757094 [0,2,0,0,0,0|1,0,1]=4 18376 B14R0.392 C=CCCCOCCCCCCCCBr 34a_100009813846_100000757094 [0,2,0,0,0,0|1,0,0]=3 18377 B14R0.392 C=CCCCOCCCCCCCCBr 7a_100009813846_100000757094 [0,2,0,0,0,0|1,0,0]=3 18378 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000210712_100000757094 [0,2,0,0,0,0|1,0,0]=3 18379 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000758997_100011214924 [0,2,0,0,0,0|1,0,0]=3 18380 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000210712_100000757094 [0,2,0,0,0,0|1,0,0]=3 18381 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000758997_100000210328 [0,2,0,0,0,0|1,0,0]=3 18382 B14R0.392 C=CCCCOCCCCCCCCCl 34a_100000033203_100000757094 [0,2,0,0,0,0|1,0,0]=3 18383 B14R0.392 C=CCCCOCCCCCCCCCl 7a_100000033203_100000757094 [0,2,0,0,0,0|1,0,0]=3 18384 B14R0.392 C=CCCCOCCCCCCCCN 34a_102515433106_100000757094 [0,2,0,0,0,0|1,0,0]=3 18385 B14R0.392 C=CCCCOCCCCCCCCO 34a_100000758997_100000033203 [0,2,0,0,0,0|1,0,0]=3 18386 B14R0.392 C=CCCCOCCCCCCCCO 7a_100000758997_100000033203 [0,2,0,0,0,0|1,0,0]=3 18387 B14R0.392 C=CCCCOCCCCCNCCN 34a_103619048469_100000757094 [0,2,0,0,0,0|2,0,0]=4 18388 B14R0.392 C=CCCCOCCCCNCCCC 34a_200011216965_100000757094 [0,2,0,0,0,0|1,0,0]=3 18389 B14R0.392 C=CCCCOCCCCOCCCC 34a_200000760531_100000757094 [0,2,0,0,0,0|1,0,0]=3 18390 B14R0.392 C=CCCCOCCCCOCCCC 7a_200000760531_100000757094 [0,2,0,0,0,0|1,0,0]=3 18391 B14R0.392 C=CCCCOCCCOCCCOC 34a_200011215475_100000757094 [0,2,0,0,0,0|2,0,0]=4 18392 B14R0.392 C=CCCCOCCCOCCCOC 7a_200011215475_100000757094 [0,2,0,0,0,0|2,0,0]=4 18393 B14R0.392 C=CCCCOCCOCCCCCC 34a_100000691444_100000757094 [0,2,0,0,0,0|1,0,0]=3 18394 B14R0.392 C=CCCCOCCOCCCCCC 7a_100000691444_100000757094 [0,2,0,0,0,0|1,0,0]=3 18395 B14R0.392 C=CCCCSCCCC#CCCCC 62a_100011713584_200000047210 [0,2,0,0,0,0|1,0,1]=4 18396 B14R0.392 C=CCCCSCCCC#CCCCC 62a_200000047210_100000757094 [0,2,0,0,0,0|1,0,1]=4 18397 B14R0.392 C=CCCCSCCCCCCCCC 62a_100011713584_100000210670 [0,2,0,0,0,0|1,0,0]=3 18398 B14R0.392 C=CCCCSCCCCCCCCO 62a_100000033203_100000757094 [0,2,0,0,0,0|1,0,0]=3 18399 B14R0.392 C=CCCCSCCCCCCCCO 62a_100011713584_100000033203 [0,2,0,0,0,0|1,0,0]=3 18400 B14R0.392 C=CCCNCCCCCCC#CCC 2230a_100015191253_200000036426 [0,2,0,0,0,0|1,0,1]=4 18401 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100000684558_100000754431 [0,2,0,0,0,0|1,0,0]=3 18402 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100015191253_100000210320 [0,2,0,0,0,0|1,0,0]=3 18403 B14R0.392 C=CCCNCCCCCCCCCC 34a_100000684558_100000754431 [0,2,0,0,0,0|1,0,0]=3 18404 B14R0.392 C=CCCNCCCCCCCCCO 2230a_100000078944_100000754431 [0,2,0,0,0,0|1,0,0]=3 18405 B14R0.392 C=CCCNCCCCCCCCCO 2230a_100015191253_100009813782 [0,2,0,0,0,0|1,0,0]=3 18406 B14R0.392 C=CCCNCCCCCCCCCO 34a_100000078944_100000754431 [0,2,0,0,0,0|1,0,0]=3 18407 B14R0.392 C=CCCOCC#CCCCCCCC 34a_200000061759_100000754431 [0,2,0,0,0,0|1,0,1]=4 18408 B14R0.392 C=CCCOCC#CCCCCCCC 7a_200000061759_100000754431 [0,2,0,0,0,0|1,0,1]=4 18409 B14R0.392 C=CCCOCCC#CCCCCCC 34a_200000033163_100000754431 [0,2,0,0,0,0|1,0,1]=4 18410 B14R0.392 C=CCCOCCC#CCCCCCC 7a_200000033163_100000754431 [0,2,0,0,0,0|1,0,1]=4 18411 B14R0.392 C=CCCOCCC/C=C\CCCCC 34a_100020655193_100000754431 [0,2,0,0,0,0|1,0,1]=4 18412 B14R0.392 C=CCCOCCC/C=C\CCCCC 7a_100020655193_100000754431 [0,2,0,0,0,0|1,0,1]=4 18413 B14R0.392 C=CCCOCCCC/C=C/CCCC 34a_200020645093_100000754431 [0,2,0,0,0,0|1,0,1]=4 18414 B14R0.392 C=CCCOCCCC/C=C/CCCC 7a_200020645093_100000754431 [0,2,0,0,0,0|1,0,1]=4 18415 B14R0.392 C=CCCOCCCCC#CCCCC 34a_200000066234_100000754431 [0,2,0,0,0,0|1,0,1]=4 18416 B14R0.392 C=CCCOCCCCC#CCCCC 7a_200000066234_100000754431 [0,2,0,0,0,0|1,0,1]=4 18417 B14R0.392 C=CCCOCCCCCCC#CCC 34a_100011205117_200000036426 [0,2,0,0,0,0|1,0,1]=4 18418 B14R0.392 C=CCCOCCCCCCCCCBr 34a_100009813782_100000754431 [0,2,0,0,0,0|1,0,0]=3 18419 B14R0.392 C=CCCOCCCCCCCCCBr 7a_100009813782_100000754431 [0,2,0,0,0,0|1,0,0]=3 18420 B14R0.392 C=CCCOCCCCCCCCCC 34a_100000210711_100000754431 [0,2,0,0,0,0|1,0,0]=3 18421 B14R0.392 C=CCCOCCCCCCCCCC 34a_100011205117_100000210320 [0,2,0,0,0,0|1,0,0]=3 18422 B14R0.392 C=CCCOCCCCCCCCCC 7a_100000210711_100000754431 [0,2,0,0,0,0|1,0,0]=3 18423 B14R0.392 C=CCCOCCCCCCCCCCl 34a_100009868337_100000754431 [0,2,0,0,0,0|1,0,0]=3 18424 B14R0.392 C=CCCOCCCCCCCCCCl 7a_100009868337_100000754431 [0,2,0,0,0,0|1,0,0]=3 18425 B14R0.392 C=CCCOCCCCCCCCCN 34a_100000078944_100000754431 [0,2,0,0,0,0|1,0,0]=3 18426 B14R0.392 C=CCCOCCCCCCCCCO 34a_100011205117_100009813782 [0,2,0,0,0,0|1,0,0]=3 18427 B14R0.392 C=CCCOCCOCCOCCCC 34a_100011215186_100000754431 [0,2,0,0,0,0|2,0,0]=4 18428 B14R0.392 C=CCCOCCOCCOCCCC 7a_100011215186_100000754431 [0,2,0,0,0,0|2,0,0]=4 18429 B14R0.392 C=CCCSCCCCCCC#CCC 62a_100000754431_200000036426 [0,2,0,0,0,0|1,0,1]=4 18430 B14R0.392 C=CCCSCCCCCCC#CCC 62a_200000036426_100000754431 [0,2,0,0,0,0|1,0,1]=4 18431 B14R0.392 C=CCCSCCCCCCCCCC 62a_100000754431_100000210320 [0,2,0,0,0,0|1,0,0]=3 18432 B14R0.392 C=CCCSCCCCCCCCCO 62a_100000754431_100009813782 [0,2,0,0,0,0|1,0,0]=3 18433 B14R0.392 C=CCCSCCCCCCCCCO 62a_100009813782_100000754431 [0,2,0,0,0,0|1,0,0]=3 18434 B14R0.392 C=CCNCCCCCCCCCCC 2230a_100020586998_100011215454 [0,2,0,0,0,0|1,0,0]=3 18435 B14R0.392 C=CCNCCCCCCCCCCC 2230a_200011215754_100000210623 [0,2,0,0,0,0|1,0,0]=3 18436 B14R0.392 C=CCNCCCCCCCCCCC 34a_200011215754_100015514636 [0,2,0,0,0,0|1,0,0]=3 18437 B14R0.392 C=CCNCCCCCCCCCCO 2230a_100000066964_100000210623 [0,2,0,0,0,0|1,0,0]=3 18438 B14R0.392 C=CCNCCCCCCCCCCO 2230a_100020586998_100009813290 [0,2,0,0,0,0|1,0,0]=3 18439 B14R0.392 C=CCNCCCCCCCCCCO 34a_100000066964_100015514636 [0,2,0,0,0,0|1,0,0]=3 18440 B14R0.392 C=CCOC/C=C/CCCCCCCC 34a_200020667288_100015514636 [0,2,0,0,0,0|1,0,1]=4 18441 B14R0.392 C=CCOC/C=C/CCCCCCCC 7a_200020667288_100015514636 [0,2,0,0,0,0|1,0,1]=4 18442 B14R0.392 C=CCOCCCCCCCCCCBr 34a_100009813290_100015514636 [0,2,0,0,0,0|1,0,0]=3 18443 B14R0.392 C=CCOCCCCCCCCCCBr 7a_100009813290_100015514636 [0,2,0,0,0,0|1,0,0]=3 18444 B14R0.392 C=CCOCCCCCCCCCCC 34a_100000210809_100015514636 [0,2,0,0,0,0|1,0,0]=3 18445 B14R0.392 C=CCOCCCCCCCCCCC 34a_200000210373_100011215454 [0,2,0,0,0,0|1,0,0]=3 18446 B14R0.392 C=CCOCCCCCCCCCCC 7a_100000210809_100015514636 [0,2,0,0,0,0|1,0,0]=3 18447 B14R0.392 C=CCOCCCCCCCCCCCl 34a_200000033068_100015514636 [0,2,0,0,0,0|1,0,0]=3 18448 B14R0.392 C=CCOCCCCCCCCCCCl 7a_200000033068_100015514636 [0,2,0,0,0,0|1,0,0]=3 18449 B14R0.392 C=CCOCCCCCCCCCCN 34a_100000066964_100015514636 [0,2,0,0,0,0|1,0,0]=3 18450 B14R0.392 C=CCOCCCCCCCCCCO 34a_200000210373_100009813290 [0,2,0,0,0,0|1,0,0]=3 18451 B14R0.392 C=CCOCCOCCCCCCCC 34a_100000037705_100000210759 [0,2,0,0,0,0|1,0,0]=3 18452 B14R0.392 C=CCOCCOCCCCCCCC 7a_100000037705_100000210759 [0,2,0,0,0,0|1,0,0]=3 18453 B14R0.392 C=CCOCCOCCCCCCCO 34a_100000037705_100000760002 [0,2,0,0,0,0|2,0,0]=4 18454 B14R0.392 C=CCOCCOCCCCCCCO 7a_100000037705_100000760002 [0,2,0,0,0,0|2,0,0]=4 18455 B14R0.392 C=CCOCCOCCCCCCOC 34a_100000037705_100011998445 [0,2,0,0,0,0|2,0,0]=4 18456 B14R0.392 C=CCOCCOCCCCCCOC 7a_100000037705_100011998445 [0,2,0,0,0,0|2,0,0]=4 18457 B14R0.392 C=CCOCCOCCOCCCCC 34a_100000065479_100000718602 [0,2,0,0,0,0|2,0,0]=4 18458 B14R0.392 C=CCOCCOCCOCCCCC 7a_100000065479_100000210326 [0,2,0,0,0,0|2,0,0]=4 18459 B14R0.392 C=CCSCCCCCCCCCCC 62a_100000210623_100011215454 [0,2,0,0,0,0|1,0,0]=3 18460 B14R0.392 C=CCSCCCCCCCCCCO 62a_100000210623_200000033068 [0,2,0,0,0,0|1,0,0]=3 18461 B14R0.392 C=CCSCCCCCCCCCCO 62a_100009813290_100000210623 [0,2,0,0,0,0|1,0,0]=3 18462 B14R0.392 C=COCCCCOCCCCCC=O 7a_100000031558_100000139337 [0,2,0,0,0,0|0,0,2]=4 18463 B14R0.392 C=COCCCCOCCCCCCC 34a_100000031558_100000210614 [0,2,0,0,0,0|1,0,0]=3 18464 B14R0.392 C=COCCCCOCCCCCCC 7a_100000031558_100000210614 [0,2,0,0,0,0|1,0,0]=3 18465 B14R0.392 C=COCCCCOCCCCCCF 34a_100000031558_100015922095 [0,2,0,0,0,0|2,0,0]=4 18466 B14R0.392 C=COCCCCOCCCCCCF 7a_100000031558_100015922095 [0,2,0,0,0,0|2,0,0]=4 18467 B14R0.392 C=COCCCCOCCCCCCO 34a_100000031558_100000766143 [0,2,0,0,0,0|2,0,0]=4 18468 B14R0.392 C=COCCCCOCCCCCCO 7a_100000031558_100000766143 [0,2,0,0,0,0|2,0,0]=4 18469 B14R0.392 C=COCCCCOCCOCCCC 34a_100000031558_100000743108 [0,2,0,0,0,0|2,0,0]=4 18470 B14R0.392 C=COCCCCOCCOCCCC 7a_100000031558_100000743108 [0,2,0,0,0,0|2,0,0]=4 18471 B14R0.392 C=COCCCNCCCCCCCC 2230a_100000210767_100000210759 [0,2,0,0,0,0|1,0,0]=3 18472 B14R0.392 C=COCCCNCCCCCCCC 34a_100000210767_100000210759 [0,2,0,0,0,0|1,0,0]=3 18473 B14R0.392 C=COCCCNCCCCCCCO 2230a_100000210767_100000760002 [0,2,0,0,0,0|2,0,0]=4 18474 B14R0.392 C=COCCCNCCCCCCCO 34a_100000210767_100000760002 [0,2,0,0,0,0|2,0,0]=4 18475 B14R0.392 C=COCCCNCCCCCCOC 2230a_100000210767_100011998445 [0,2,0,0,0,0|2,0,0]=4 18476 B14R0.392 C=COCCCNCCCCCCOC 34a_100000210767_100011998445 [0,2,0,0,0,0|2,0,0]=4 18477 B14R0.392 C=COCCNCCCCCCCCC 2230a_100000212291_100000039644 [0,2,0,0,0,0|1,0,0]=3 18478 B14R0.392 C=COCCNCCCCCCCCC 34a_100000212291_100000039644 [0,2,0,0,0,0|1,0,0]=3 18479 B14R0.392 C=COCCNCCCCCCCCO 2230a_102515433106_100000039644 [0,2,0,0,0,0|2,0,0]=4 18480 B14R0.392 C=COCCNCCCCCCCCO 34a_102515433106_100000039644 [0,2,0,0,0,0|2,0,0]=4 18481 B14R0.392 C=COCCOCCCCCCCCBr 34a_100009813846_100000039644 [0,2,0,0,0,0|2,0,0]=4 18482 B14R0.392 C=COCCOCCCCCCCCBr 7a_100009813846_100000039644 [0,2,0,0,0,0|2,0,0]=4 18483 B14R0.392 C=COCCOCCCCCCCCC 34a_100000033082_100011214924 [0,2,0,0,0,0|1,0,0]=3 18484 B14R0.392 C=COCCOCCCCCCCCC 34a_100000210712_100000039644 [0,2,0,0,0,0|1,0,0]=3 18485 B14R0.392 C=COCCOCCCCCCCCC 7a_100000210712_100000039644 [0,2,0,0,0,0|1,0,0]=3 18486 B14R0.392 C=COCCOCCCCCCCCCl 34a_100000033203_100000039644 [0,2,0,0,0,0|2,0,0]=4 18487 B14R0.392 C=COCCOCCCCCCCCCl 7a_100000033203_100000039644 [0,2,0,0,0,0|2,0,0]=4 18488 B14R0.392 C=COCCOCCCCCCCCN 34a_102515433106_100000039644 [0,2,0,0,0,0|2,0,0]=4 18489 B14R0.392 C=COCCOCCCCCCCCO 34a_100000033082_100000033203 [0,2,0,0,0,0|2,0,0]=4 18490 B14R0.392 C=COCCOCCCCNCCCC 34a_200011216965_100000039644 [0,2,0,0,0,0|2,0,0]=4 18491 B14R0.392 C=COCCOCCCCOCCCC 34a_200000760531_100000039644 [0,2,0,0,0,0|2,0,0]=4 18492 B14R0.392 C=COCCOCCCCOCCCC 7a_200000760531_100000039644 [0,2,0,0,0,0|2,0,0]=4 18493 B14R0.392 C=COCCOCCOCCCCCC 34a_100000039918_100000210314 [0,2,0,0,0,0|2,0,0]=4 18494 B14R0.392 C=COCCOCCOCCCCCC 34a_100000691444_100000039644 [0,2,0,0,0,0|2,0,0]=4 18495 B14R0.392 C=COCCOCCOCCCCCC 7a_100000039918_100000210314 [0,2,0,0,0,0|2,0,0]=4 18496 B14R0.392 C=COCCOCCOCCCCCC 7a_100000691444_100000039644 [0,2,0,0,0,0|2,0,0]=4 18497 B14R0.392 C=COCCSCCCCCCCCC 62a_100000039644_100000210670 [0,2,0,0,0,0|1,0,0]=3 18498 B14R0.392 C=COCCSCCCCCCCCO 62a_100000033203_100000039644 [0,2,0,0,0,0|2,0,0]=4 18499 B14R0.392 C=COCCSCCCCCCCCO 62a_100000039644_100000033203 [0,2,0,0,0,0|2,0,0]=4 18500 B14R0.392 CC#CCCOCCCCCCCCC 34a_100000750427_100011214924 [0,2,0,0,0,0|1,0,1]=4 18501 B14R0.392 CC#CCNCCCCCCCCCC 2230a_100000684558_100000748600 [0,2,0,0,0,0|1,0,1]=4 18502 B14R0.392 CC#CCNCCCCCCCCCC 2230a_100000685387_100000210320 [0,2,0,0,0,0|1,0,1]=4 18503 B14R0.392 CC#CCNCCCCCCCCCC 34a_100000684558_100000748600 [0,2,0,0,0,0|1,0,1]=4 18504 B14R0.392 CC#CCNCCCCCCCCCC 34a_100000685387_100000210320 [0,2,0,0,0,0|1,0,1]=4 18505 B14R0.392 CC#CCOCCCCCCCCCC 34a_100000210711_100000748600 [0,2,0,0,0,0|1,0,1]=4 18506 B14R0.392 CC#CCOCCCCCCCCCC 34a_100000761923_100000210320 [0,2,0,0,0,0|1,0,1]=4 18507 B14R0.392 CC#CCOCCCCCCCCCC 7a_100000210711_100000748600 [0,2,0,0,0,0|1,0,1]=4 18508 B14R0.392 CC#CCSCCCCCCCCCC 62a_100000748600_100000210320 [0,2,0,0,0,0|1,0,1]=4 18509 B14R0.392 CC/C=C/CCCOCCCCCC=O 7a_100016287902_100000139337 [0,2,0,0,0,0|0,0,1]=3 18510 B14R0.392 CC/C=C/CCCOCCCCCCC 34a_100016287902_100000210614 [0,2,0,0,0,0|1,0,1]=4 18511 B14R0.392 CC/C=C/CCCOCCCCCCC 7a_100016287902_100000210614 [0,2,0,0,0,0|1,0,1]=4 18512 B14R0.392 CC/C=C\CCCCCCCNCCC 269862a_100020643023_200025770492 [0,2,0,0,0,0|1,0,1]=4 18513 B14R0.392 CC/C=C\CCCCCNCCCCC 269862a_100000209983_100016288537 [0,2,0,0,0,0|1,0,1]=4 18514 B14R0.392 CC/C=C\CCCCCOCCCC=O 7a_100016268722_200011292268 [0,2,0,0,0,0|0,0,1]=3 18515 B14R0.392 CC/C=C\CCCCCOCCCCC 34a_100016268722_100000718602 [0,2,0,0,0,0|1,0,1]=4 18516 B14R0.392 CC/C=C\CCCCCOCCCCC 7a_100016268722_100000210326 [0,2,0,0,0,0|1,0,1]=4 18517 B14R0.392 CC/C=C\CCCCOCCCCC=O 7a_100016287862_100000139335 [0,2,0,0,0,0|0,0,1]=3 18518 B14R0.392 CC/C=C\CCCCOCCCCCC 34a_100016287862_100000210314 [0,2,0,0,0,0|1,0,1]=4 18519 B14R0.392 CC/C=C\CCCCOCCCCCC 7a_100016287862_100000210314 [0,2,0,0,0,0|1,0,1]=4 18520 B14R0.392 CC/C=C\CCNCCCCCCCC 2230a_100000229939_100015370543 [0,2,0,0,0,0|1,0,1]=4 18521 B14R0.392 CC/C=C\CCNCCCCCCCC 34a_100000229939_100015370543 [0,2,0,0,0,0|1,0,1]=4 18522 B14R0.392 CC/C=C\CCOCCCCCCCC 34a_100000210232_100015370543 [0,2,0,0,0,0|1,0,1]=4 18523 B14R0.392 CC/C=C\CCOCCCCCCCC 34a_100016288707_100000210759 [0,2,0,0,0,0|1,0,1]=4 18524 B14R0.392 CC/C=C\CCOCCCCCCCC 7a_100000210232_100015370543 [0,2,0,0,0,0|1,0,1]=4 18525 B14R0.392 CC/C=C\CCOCCCCCCCC 7a_100016288707_100000210759 [0,2,0,0,0,0|1,0,1]=4 18526 B14R0.392 CC/C=C\CCSCCCCCCCC 62a_100000210759_100015370543 [0,2,0,0,0,0|1,0,1]=4 18527 B14R0.392 CC/C=C\CCSCCCCCCCC 62a_100015370543_100000210317 [0,2,0,0,0,0|1,0,1]=4 18528 B14R0.392 CC/C=C\CNCCCCCCCCC 2230a_100000212291_100103147603 [0,2,0,0,0,0|1,0,1]=4 18529 B14R0.392 CC/C=C\CNCCCCCCCCC 34a_100000212291_100103147603 [0,2,0,0,0,0|1,0,1]=4 18530 B14R0.392 CC/C=C\COCCCCCCCCC 34a_100000210712_100103147603 [0,2,0,0,0,0|1,0,1]=4 18531 B14R0.392 CC/C=C\COCCCCCCCCC 34a_100016268518_100011214924 [0,2,0,0,0,0|1,0,1]=4 18532 B14R0.392 CC/C=C\COCCCCCCCCC 7a_100000210712_100103147603 [0,2,0,0,0,0|1,0,1]=4 18533 B14R0.392 CC/C=C\CSCCCCCCCCC 62a_100103147603_100000210670 [0,2,0,0,0,0|1,0,1]=4 18534 B14R0.392 CC=C=CCCOCCCCCCCC 34a_100011020354_100000210759 [0,2,0,0,0,0|1,0,1]=4 18535 B14R0.392 CC=CCCCOCCCCCCCC 34a_100020645299_100000210759 [0,2,0,0,0,0|1,0,0]=3 18536 B14R0.392 CC=CCCCOCCCCCCCO 34a_100020645299_100000760002 [0,2,0,0,0,0|1,0,1]=4 18537 B14R0.392 CC=CCCCOCCCCCCOC 34a_100020645299_100011998445 [0,2,0,0,0,0|1,0,1]=4 18538 B14R0.392 CC=CCNCCCCCCCCCC 2230a_100000684558_100000070051 [0,2,0,0,0,0|1,0,0]=3 18539 B14R0.392 CC=CCNCCCCCCCCCC 34a_100000684558_100000070051 [0,2,0,0,0,0|1,0,0]=3 18540 B14R0.392 CC=CCNCCCCCCCCCO 2230a_100000078944_100000070051 [0,2,0,0,0,0|1,0,1]=4 18541 B14R0.392 CC=CCNCCCCCCCCCO 34a_100000078944_100000070051 [0,2,0,0,0,0|1,0,1]=4 18542 B14R0.392 CC=CCOCCCCCCCCCBr 34a_100009813782_100000070051 [0,2,0,0,0,0|1,0,1]=4 18543 B14R0.392 CC=CCOCCCCCCCCCBr 7a_100009813782_100000070051 [0,2,0,0,0,0|1,0,1]=4 18544 B14R0.392 CC=CCOCCCCCCCCCC 34a_100000210711_100000070051 [0,2,0,0,0,0|1,0,0]=3 18545 B14R0.392 CC=CCOCCCCCCCCCC 7a_100000210711_100000070051 [0,2,0,0,0,0|1,0,0]=3 18546 B14R0.392 CC=CCOCCCCCCCCCCl 34a_100009868337_100000070051 [0,2,0,0,0,0|1,0,1]=4 18547 B14R0.392 CC=CCOCCCCCCCCCCl 7a_100009868337_100000070051 [0,2,0,0,0,0|1,0,1]=4 18548 B14R0.392 CC=CCOCCCCCCCCCN 34a_100000078944_100000070051 [0,2,0,0,0,0|1,0,1]=4 18549 B14R0.392 CC=CCSCCCCCCCCCC 62a_100000070051_100000210320 [0,2,0,0,0,0|1,0,0]=3 18550 B14R0.392 CC=CCSCCCCCCCCCO 62a_100000070051_100009813782 [0,2,0,0,0,0|1,0,1]=4 18551 B14R0.392 CC=CCSCCCCCCCCCO 62a_100009813782_100000070051 [0,2,0,0,0,0|1,0,1]=4 18552 B14R0.392 CCCC#CCCOCCCCCC=O 7a_100000042726_100000139337 [0,2,0,0,0,0|0,0,1]=3 18553 B14R0.392 CCCC/C=C/COCCCCCC=O 7a_200016272032_100000139337 [0,2,0,0,0,0|0,0,1]=3 18554 B14R0.392 CCCC/C=C\CCOCCCCC=O 7a_200016286491_100000139335 [0,2,0,0,0,0|0,0,1]=3 18555 B14R0.392 CCCCC#CCCCSCCCC=O 62a_200000047210_200011292268 [0,2,0,0,0,0|0,0,1]=3 18556 B14R0.392 CCCCC#CCCCSCCCC=O 62a_200011292268_200000047210 [0,2,0,0,0,0|0,0,1]=3 18557 B14R0.392 CCCCC#CCCOCCCCC=O 7a_100000037610_100000139335 [0,2,0,0,0,0|0,0,1]=3 18558 B14R0.392 CCCCC#CCOCCCCCC=O 7a_200000034558_100000139337 [0,2,0,0,0,0|0,0,1]=3 18559 B14R0.392 CCCCC/C=C/COCCCCC=O 7a_100016258190_100000139335 [0,2,0,0,0,0|0,0,1]=3 18560 B14R0.392 CCCCC/C=C\CCOCCCC=O 7a_100016277358_200011292268 [0,2,0,0,0,0|0,0,1]=3 18561 B14R0.392 CCCCCC#CCCOCCCC=O 7a_200000042877_200011292268 [0,2,0,0,0,0|0,0,1]=3 18562 B14R0.392 CCCCCC#CCOCCCCC=O 7a_200000033628_100000139335 [0,2,0,0,0,0|0,0,1]=3 18563 B14R0.392 CCCCCC#CCSCCCCC=O 62a_100000139335_100009816472 [0,2,0,0,0,0|0,0,1]=3 18564 B14R0.392 CCCCCC#CCSCCCCC=O 62a_100009816472_100000139335 [0,2,0,0,0,0|0,0,1]=3 18565 B14R0.392 CCCCCC/C=C/COCCCC=O 7a_200016276170_200011292268 [0,2,0,0,0,0|0,0,1]=3 18566 B14R0.392 CCCCCCC#CCOCCCC=O 7a_200000037284_200011292268 [0,2,0,0,0,0|0,0,1]=3 18567 B14R0.392 CCCCCCCC/C=C/COCC=O 34a_200020667288_200009817547 [0,2,0,0,0,0|0,0,1]=3 18568 B14R0.392 CCCCCCCC/C=C/COCC=O 7a_200020667288_200015260668 [0,2,0,0,0,0|0,0,1]=3 18569 B14R0.392 CCCCCCCCCC/C=C/COC 34a_200025761149_200000210301 [0,2,0,0,0,0|0,0,2]=4 18570 B14R0.392 CCCCCCCCCC/C=C/COC 7a_200025761149_200000210301 [0,2,0,0,0,0|0,0,2]=4 18571 B14R0.392 CCCCCCCCCC/C=C/CO[13CH3] 34a_200025761149_200025704644 [0,2,0,0,0,0|0,0,2]=4 18572 B14R0.392 CCCCCCCCCC/C=C/CO[13CH3] 7a_200025761149_200025704644 [0,2,0,0,0,0|0,0,2]=4 18573 B14R0.392 CCCCCCCCCCCCCNC 2230a_100011215765_200000210301 [0,2,0,0,0,0|1,0,1]=4 18574 B14R0.392 CCCCCCCCCCCCCNC 2230a_106832991635_100000210684 [0,2,0,0,0,0|1,0,1]=4 18575 B14R0.392 CCCCCCCCCCCCCNC 270004a_106832991635_200011215488 [0,2,0,0,0,0|1,0,1]=4 18576 B14R0.392 CCCCCCCCCCCCCNC 34a_100011215765_200000210301 [0,2,0,0,0,0|1,0,1]=4 18577 B14R0.392 CCCCCCCCCCCCCNC 34a_100102657272_100000210684 [0,2,0,0,0,0|1,0,1]=4 18578 B14R0.392 CCCCCCCCCCCCCNC 7a_106832991635_100000210684 [0,2,0,0,0,0|1,0,1]=4 18579 B14R0.392 CCCCCCCCCCCCCN[13CH3] 2230a_100011215765_200025704644 [0,2,0,0,0,0|1,0,1]=4 18580 B14R0.392 CCCCCCCCCCCCCN[13CH3] 34a_100011215765_200025704644 [0,2,0,0,0,0|1,0,1]=4 18581 B14R0.392 CCCCCCCCCCCCCOC 34a_100000185773_200000210301 [0,2,0,0,0,0|0,0,2]=4 18582 B14R0.392 CCCCCCCCCCCCCOC 34a_100138415774_100000210684 [0,2,0,0,0,0|0,0,2]=4 18583 B14R0.392 CCCCCCCCCCCCCOC 7a_100000185773_200000210301 [0,2,0,0,0,0|0,0,2]=4 18584 B14R0.392 CCCCCCCCCCCCCO[13CH3] 34a_100000185773_200025704644 [0,2,0,0,0,0|0,0,2]=4 18585 B14R0.392 CCCCCCCCCCCCCO[13CH3] 7a_100000185773_200025704644 [0,2,0,0,0,0|0,0,2]=4 18586 B14R0.392 CCCCCCCCCCCCCSC 62a_200000210301_100011934334 [0,2,0,0,0,0|0,1,1]=4 18587 B14R0.392 CCCCCCCCCCCCCS[13CH3] 62a_200025704644_100011934334 [0,2,0,0,0,0|0,1,1]=4 18588 B14R0.392 CCCCCCCCCCCCNCC 2230a_100000210451_100000210202 [0,2,0,0,0,0|1,0,1]=4 18589 B14R0.392 CCCCCCCCCCCCNCC 2230a_100015525214_100011215052 [0,2,0,0,0,0|1,0,1]=4 18590 B14R0.392 CCCCCCCCCCCCNCC 270004a_100015525214_100011218549 [0,2,0,0,0,0|1,0,1]=4 18591 B14R0.392 CCCCCCCCCCCCNCC 34a_100000210451_100000210202 [0,2,0,0,0,0|1,0,1]=4 18592 B14R0.392 CCCCCCCCCCCCNCF 34a_100000210451_100015361967 [0,2,0,0,0,0|1,0,1]=4 18593 B14R0.392 CCCCCCCCCCCCOCC 34a_100000210810_100000210202 [0,2,0,0,0,0|0,0,2]=4 18594 B14R0.392 CCCCCCCCCCCCOCC 34a_100121572206_100000759014 [0,2,0,0,0,0|0,0,2]=4 18595 B14R0.392 CCCCCCCCCCCCOCC 7a_100000210810_100000210202 [0,2,0,0,0,0|0,0,2]=4 18596 B14R0.392 CCCCCCCCCCCCOCF 34a_100000210810_100015361967 [0,2,0,0,0,0|0,0,2]=4 18597 B14R0.392 CCCCCCCCCCCCOCF 7a_100000210810_100015361967 [0,2,0,0,0,0|0,0,2]=4 18598 B14R0.392 CCCCCCCCCCCCSCC 62a_100000210202_100000759014 [0,2,0,0,0,0|0,1,1]=4 18599 B14R0.392 CCCCCCCCCCCCSCF 62a_100015361967_100000759014 [0,2,0,0,0,0|0,1,1]=4 18600 B14R0.392 CCCCCCCCCCCNCC#N 2230a_200011215754_100011215382 [0,2,0,0,0,0|1,0,1]=4 18601 B14R0.392 CCCCCCCCCCCNCC=O 2230a_200011215754_200015260668 [0,2,0,0,0,0|0,0,0]=2 18602 B14R0.392 CCCCCCCCCCCNCC=O 34a_200011215754_200009817547 [0,2,0,0,0,0|0,0,0]=2 18603 B14R0.392 CCCCCCCCCCCNCCC 2230a_200011215754_100000210303 [0,2,0,0,0,0|1,0,1]=4 18604 B14R0.392 CCCCCCCCCCCNCCC 34a_200011215754_100000210303 [0,2,0,0,0,0|1,0,1]=4 18605 B14R0.392 CCCCCCCCCCCNCCF 2230a_200011215754_100011217306 [0,2,0,0,0,0|1,0,1]=4 18606 B14R0.392 CCCCCCCCCCCNCCF 34a_100000724931_100011215454 [0,2,0,0,0,0|1,0,1]=4 18607 B14R0.392 CCCCCCCCCCCNCCF 34a_200011215754_100011217306 [0,2,0,0,0,0|1,0,1]=4 18608 B14R0.392 CCCCCCCCCCCNCCO 2230a_100016997473_100011215454 [0,2,0,0,0,0|0,0,2]=4 18609 B14R0.392 CCCCCCCCCCCNCCO 2230a_200011215754_100000211926 [0,2,0,0,0,0|0,0,2]=4 18610 B14R0.392 CCCCCCCCCCCNCCO 34a_100016990907_100011215454 [0,2,0,0,0,0|0,0,2]=4 18611 B14R0.392 CCCCCCCCCCCNCCO 34a_200011215754_100000211926 [0,2,0,0,0,0|0,0,2]=4 18612 B14R0.392 CCCCCCCCCCCNCOC 2230a_200011215754_100000766300 [0,2,0,0,0,0|0,0,2]=4 18613 B14R0.392 CCCCCCCCCCCNCSC 2230a_200011215754_100011218213 [0,2,0,0,0,0|0,1,1]=4 18614 B14R0.392 CCCCCCCCCCCNCSC 34a_200011215754_100011218213 [0,2,0,0,0,0|0,1,1]=4 18615 B14R0.392 CCCCCCCCCCCOCC#N 7a_100000210809_100011215382 [0,2,0,0,0,0|1,0,1]=4 18616 B14R0.392 CCCCCCCCCCCOCC=O 34a_100000210809_200009817547 [0,2,0,0,0,0|0,0,0]=2 18617 B14R0.392 CCCCCCCCCCCOCC=O 7a_100000210809_200015260668 [0,2,0,0,0,0|0,0,0]=2 18618 B14R0.392 CCCCCCCCCCCOCCBr 34a_100000211926_100011215454 [0,2,0,0,0,0|1,0,1]=4 18619 B14R0.392 CCCCCCCCCCCOCCC 34a_100000210258_100011215454 [0,2,0,0,0,0|1,0,1]=4 18620 B14R0.392 CCCCCCCCCCCOCCC 34a_100000210809_100000210303 [0,2,0,0,0,0|1,0,1]=4 18621 B14R0.392 CCCCCCCCCCCOCCC 7a_100000210809_100000210303 [0,2,0,0,0,0|1,0,1]=4 18622 B14R0.392 CCCCCCCCCCCOCCF 34a_100000210809_100011217306 [0,2,0,0,0,0|1,0,1]=4 18623 B14R0.392 CCCCCCCCCCCOCCF 7a_100000210809_100011217306 [0,2,0,0,0,0|1,0,1]=4 18624 B14R0.392 CCCCCCCCCCCOCCN 34a_100000210304_100011215454 [0,2,0,0,0,0|1,0,1]=4 18625 B14R0.392 CCCCCCCCCCCOCCO 34a_100000210809_100000211926 [0,2,0,0,0,0|0,0,2]=4 18626 B14R0.392 CCCCCCCCCCCOCCO 7a_100000210809_100000211926 [0,2,0,0,0,0|0,0,2]=4 18627 B14R0.392 CCCCCCCCCCCOCSC 34a_100000210809_100011218213 [0,2,0,0,0,0|0,1,1]=4 18628 B14R0.392 CCCCCCCCCCCSCC#N 62a_100011215382_100011215454 [0,2,0,0,0,0|1,0,1]=4 18629 B14R0.392 CCCCCCCCCCCSCC=O 62a_200015260668_100011215454 [0,2,0,0,0,0|0,0,0]=2 18630 B14R0.392 CCCCCCCCCCCSCCC 62a_100000210303_100011215454 [0,2,0,0,0,0|1,0,1]=4 18631 B14R0.392 CCCCCCCCCCCSCCF 62a_100011217306_100011215454 [0,2,0,0,0,0|1,0,1]=4 18632 B14R0.392 CCCCCCCCCCCSCCO 62a_100000211926_100011215454 [0,2,0,0,0,0|0,0,2]=4 18633 B14R0.392 CCCCCCCCCCCSCOC 62a_100000766300_100011215454 [0,2,0,0,0,0|0,0,2]=4 18634 B14R0.392 CCCCCCCCCCCSCSC 62a_100011218213_100011215454 [0,2,0,0,0,0|0,1,1]=4 18635 B14R0.392 CCCCCCCCCCNCCC#N 2230a_100000684558_100011215226 [0,2,0,0,0,0|1,0,1]=4 18636 B14R0.392 CCCCCCCCCCNCCCC 2230a_100000102301_100000210320 [0,2,0,0,0,0|1,0,1]=4 18637 B14R0.392 CCCCCCCCCCNCCCC 2230a_100000684558_100000210211 [0,2,0,0,0,0|1,0,1]=4 18638 B14R0.392 CCCCCCCCCCNCCCC 34a_100000684558_100000210210 [0,2,0,0,0,0|1,0,1]=4 18639 B14R0.392 CCCCCCCCCCNCCCC 7a_106832991798_100000210320 [0,2,0,0,0,0|1,0,1]=4 18640 B14R0.392 CCCCCCCCCCNCCCF 2230a_100000684558_100011934791 [0,2,0,0,0,0|1,0,1]=4 18641 B14R0.392 CCCCCCCCCCNCCCF 2230a_100015189416_100000210320 [0,2,0,0,0,0|1,0,1]=4 18642 B14R0.392 CCCCCCCCCCNCCCF 34a_100000684558_100011934791 [0,2,0,0,0,0|1,0,1]=4 18643 B14R0.392 CCCCCCCCCCNCCCF 34a_100015189416_100000210320 [0,2,0,0,0,0|1,0,1]=4 18644 B14R0.392 CCCCCCCCCCNCCCO 2230a_100000684558_100000230001 [0,2,0,0,0,0|0,0,2]=4 18645 B14R0.392 CCCCCCCCCCNCCCO 34a_100000684558_100000230001 [0,2,0,0,0,0|0,0,2]=4 18646 B14R0.392 CCCCCCCCCCNCCOC 2230a_100000209980_100000210320 [0,2,0,0,0,0|0,0,2]=4 18647 B14R0.392 CCCCCCCCCCNCCOC 2230a_100000684558_100011201679 [0,2,0,0,0,0|0,0,2]=4 18648 B14R0.392 CCCCCCCCCCNCCOC 34a_100000684558_100011201679 [0,2,0,0,0,0|0,0,2]=4 18649 B14R0.392 CCCCCCCCCCNCCSC 2230a_100000684558_100000751147 [0,2,0,0,0,0|0,1,1]=4 18650 B14R0.392 CCCCCCCCCCNCCSC 2230a_100020590264_100000210320 [0,2,0,0,0,0|0,1,1]=4 18651 B14R0.392 CCCCCCCCCCNCCSC 34a_100000684558_100000212216 [0,2,0,0,0,0|0,1,1]=4 18652 B14R0.392 CCCCCCCCCCOCCC#N 7a_100000210711_100000184422 [0,2,0,0,0,0|1,0,1]=4 18653 B14R0.392 CCCCCCCCCCOCCCBr 34a_100011217188_100000210320 [0,2,0,0,0,0|1,0,1]=4 18654 B14R0.392 CCCCCCCCCCOCCCC 34a_100000210227_100000210320 [0,2,0,0,0,0|1,0,1]=4 18655 B14R0.392 CCCCCCCCCCOCCCC 34a_100000210711_100000210210 [0,2,0,0,0,0|1,0,1]=4 18656 B14R0.392 CCCCCCCCCCOCCCC 7a_100000210227_100000210320 [0,2,0,0,0,0|1,0,1]=4 18657 B14R0.392 CCCCCCCCCCOCCCC 7a_100000210711_100000210211 [0,2,0,0,0,0|1,0,1]=4 18658 B14R0.392 CCCCCCCCCCOCCCCl 34a_100000230001_100000210320 [0,2,0,0,0,0|1,0,1]=4 18659 B14R0.392 CCCCCCCCCCOCCCF 34a_100000210711_100011934791 [0,2,0,0,0,0|1,0,1]=4 18660 B14R0.392 CCCCCCCCCCOCCCF 34a_100000759539_100000210320 [0,2,0,0,0,0|1,0,1]=4 18661 B14R0.392 CCCCCCCCCCOCCCF 7a_100000210711_100011934791 [0,2,0,0,0,0|1,0,1]=4 18662 B14R0.392 CCCCCCCCCCOCCCN 34a_100000182051_100000210320 [0,2,0,0,0,0|1,0,1]=4 18663 B14R0.392 CCCCCCCCCCOCCCO 34a_100000210711_100000230001 [0,2,0,0,0,0|0,0,2]=4 18664 B14R0.392 CCCCCCCCCCOCCCO 7a_100000210711_100011215043 [0,2,0,0,0,0|0,0,2]=4 18665 B14R0.392 CCCCCCCCCCOCCOC 34a_100000210237_100000210320 [0,2,0,0,0,0|0,0,2]=4 18666 B14R0.392 CCCCCCCCCCOCCOC 34a_100000210711_100011201679 [0,2,0,0,0,0|0,0,2]=4 18667 B14R0.392 CCCCCCCCCCOCCOC 7a_100000210711_100000233755 [0,2,0,0,0,0|0,0,2]=4 18668 B14R0.392 CCCCCCCCCCOCCON 34a_100000700252_100000210320 [0,2,0,0,0,0|0,0,2]=4 18669 B14R0.392 CCCCCCCCCCOCCSC 34a_100000210711_100000212216 [0,2,0,0,0,0|0,1,1]=4 18670 B14R0.392 CCCCCCCCCCOCCSC 34a_100000230434_100000210320 [0,2,0,0,0,0|0,1,1]=4 18671 B14R0.392 CCCCCCCCCCOCCSC 7a_100000210711_100000212216 [0,2,0,0,0,0|0,1,1]=4 18672 B14R0.392 CCCCCCCCCCOCCSC 7a_100000230434_100000210320 [0,2,0,0,0,0|0,1,1]=4 18673 B14R0.392 CCCCCCCCCCSCCC#N 62a_100011215226_100000210320 [0,2,0,0,0,0|1,0,1]=4 18674 B14R0.392 CCCCCCCCCCSCCCC 62a_100000210211_100000210320 [0,2,0,0,0,0|1,0,1]=4 18675 B14R0.392 CCCCCCCCCCSCCCF 62a_100011934791_100000210320 [0,2,0,0,0,0|1,0,1]=4 18676 B14R0.392 CCCCCCCCCCSCCCO 62a_100011215043_100000210320 [0,2,0,0,0,0|0,0,2]=4 18677 B14R0.392 CCCCCCCCCCSCCOC 34a_100011628728_200000210301 [0,2,0,0,0,0|0,0,2]=4 18678 B14R0.392 CCCCCCCCCCSCCOC 62a_100000233755_100000210320 [0,2,0,0,0,0|0,0,2]=4 18679 B14R0.392 CCCCCCCCCCSCCOC 7a_100011628728_200000210301 [0,2,0,0,0,0|0,0,2]=4 18680 B14R0.392 CCCCCCCCCCSCCO[13CH3] 34a_100011628728_200025704644 [0,2,0,0,0,0|0,0,2]=4 18681 B14R0.392 CCCCCCCCCCSCCO[13CH3] 7a_100011628728_200025704644 [0,2,0,0,0,0|0,0,2]=4 18682 B14R0.392 CCCCCCCCCCSCCSC 62a_100000212216_100000210320 [0,2,0,0,0,0|0,1,1]=4 18683 B14R0.392 CCCCCCCCCCSCOCC 62a_100000739092_100000210320 [0,2,0,0,0,0|1,0,1]=4 18684 B14R0.392 CCCCCCCCCCSCSC#N 62a_100000211825_100000210320 [0,2,0,0,0,0|1,0,1]=4 18685 B14R0.392 CCCCCCCCCNCCCC#N 2230a_100000212291_100000687738 [0,2,0,0,0,0|1,0,1]=4 18686 B14R0.392 CCCCCCCCCNCCCC=O 2230a_100000212291_200011292268 [0,2,0,0,0,0|0,0,0]=2 18687 B14R0.392 CCCCCCCCCNCCCCC 2230a_100000209983_100011214924 [0,2,0,0,0,0|1,0,1]=4 18688 B14R0.392 CCCCCCCCCNCCCCC 2230a_100000212291_100000210326 [0,2,0,0,0,0|1,0,1]=4 18689 B14R0.392 CCCCCCCCCNCCCCC 34a_100000212291_100000718602 [0,2,0,0,0,0|1,0,1]=4 18690 B14R0.392 CCCCCCCCCNCCCCF 2230a_100000212291_100000729493 [0,2,0,0,0,0|1,0,1]=4 18691 B14R0.392 CCCCCCCCCNCCCCF 34a_100000212291_100000729493 [0,2,0,0,0,0|1,0,1]=4 18692 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000212291_100000210776 [0,2,0,0,0,0|0,0,2]=4 18693 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000750430_100011214924 [0,2,0,0,0,0|0,0,2]=4 18694 B14R0.392 CCCCCCCCCNCCCCO 34a_100000212291_100011216708 [0,2,0,0,0,0|0,0,2]=4 18695 B14R0.392 CCCCCCCCCNCCCCO 34a_100000750430_100011214924 [0,2,0,0,0,0|0,0,2]=4 18696 B14R0.392 CCCCCCCCCNCCCOC 2230a_100000212291_100000740836 [0,2,0,0,0,0|0,0,2]=4 18697 B14R0.392 CCCCCCCCCNCCCOC 34a_100000212291_100000740836 [0,2,0,0,0,0|0,0,2]=4 18698 B14R0.392 CCCCCCCCCNCCCOC 34a_100150723488_100011214924 [0,2,0,0,0,0|0,0,2]=4 18699 B14R0.392 CCCCCCCCCNCCCSC 2230a_100000749238_100011214924 [0,2,0,0,0,0|0,1,1]=4 18700 B14R0.392 CCCCCCCCCNCCOCC 2230a_100000212291_100011215890 [0,2,0,0,0,0|1,0,1]=4 18701 B14R0.392 CCCCCCCCCNCCOCC 2230a_102516460346_100011214924 [0,2,0,0,0,0|1,0,1]=4 18702 B14R0.392 CCCCCCCCCNCCOCC 34a_100000212291_100000210147 [0,2,0,0,0,0|1,0,1]=4 18703 B14R0.392 CCCCCCCCCNCCOCC 34a_102516460346_100011214924 [0,2,0,0,0,0|1,0,1]=4 18704 B14R0.392 CCCCCCCCCNCCSCC 2230a_100000106463_100011214924 [0,2,0,0,0,0|1,0,1]=4 18705 B14R0.392 CCCCCCCCCNCCSCC 2230a_100000212291_100000757381 [0,2,0,0,0,0|1,0,1]=4 18706 B14R0.392 CCCCCCCCCNCCSCC 34a_100000212291_100000757381 [0,2,0,0,0,0|1,0,1]=4 18707 B14R0.392 CCCCCCCCCOCCCC#N 7a_100000210712_100000687738 [0,2,0,0,0,0|1,0,1]=4 18708 B14R0.392 CCCCCCCCCOCCCC=O 7a_100000210712_200011292268 [0,2,0,0,0,0|0,0,0]=2 18709 B14R0.392 CCCCCCCCCOCCCCBr 34a_100011216708_100011214924 [0,2,0,0,0,0|1,0,1]=4 18710 B14R0.392 CCCCCCCCCOCCCCC 34a_100000210253_100011214924 [0,2,0,0,0,0|1,0,1]=4 18711 B14R0.392 CCCCCCCCCOCCCCC 34a_100000210712_100000718602 [0,2,0,0,0,0|1,0,1]=4 18712 B14R0.392 CCCCCCCCCOCCCCC 7a_100000210253_100000210328 [0,2,0,0,0,0|1,0,1]=4 18713 B14R0.392 CCCCCCCCCOCCCCC 7a_100000210712_100000210326 [0,2,0,0,0,0|1,0,1]=4 18714 B14R0.392 CCCCCCCCCOCCCCCl 34a_100000210776_100011214924 [0,2,0,0,0,0|1,0,1]=4 18715 B14R0.392 CCCCCCCCCOCCCCCl 7a_100000210776_100000210328 [0,2,0,0,0,0|1,0,1]=4 18716 B14R0.392 CCCCCCCCCOCCCCF 34a_100000210712_100000729493 [0,2,0,0,0,0|1,0,1]=4 18717 B14R0.392 CCCCCCCCCOCCCCF 34a_100011995726_100011214924 [0,2,0,0,0,0|1,0,1]=4 18718 B14R0.392 CCCCCCCCCOCCCCF 7a_100000210712_100000729493 [0,2,0,0,0,0|1,0,1]=4 18719 B14R0.392 CCCCCCCCCOCCCCF 7a_100011995726_100000210328 [0,2,0,0,0,0|1,0,1]=4 18720 B14R0.392 CCCCCCCCCOCCCCI 34a_200012148704_100011214924 [0,2,0,0,0,0|1,0,1]=4 18721 B14R0.392 CCCCCCCCCOCCCCN 34a_100000750430_100011214924 [0,2,0,0,0,0|1,0,1]=4 18722 B14R0.392 CCCCCCCCCOCCCCO 34a_100000210712_100011216708 [0,2,0,0,0,0|0,0,2]=4 18723 B14R0.392 CCCCCCCCCOCCCCO 7a_100000210712_100000210776 [0,2,0,0,0,0|0,0,2]=4 18724 B14R0.392 CCCCCCCCCOCCCNC 34a_100000213112_100011214924 [0,2,0,0,0,0|1,0,1]=4 18725 B14R0.392 CCCCCCCCCOCCCOC 34a_100000210712_100000740836 [0,2,0,0,0,0|0,0,2]=4 18726 B14R0.392 CCCCCCCCCOCCCOC 34a_100000740835_100011214924 [0,2,0,0,0,0|0,0,2]=4 18727 B14R0.392 CCCCCCCCCOCCCOC 7a_100000210712_100000740836 [0,2,0,0,0,0|0,0,2]=4 18728 B14R0.392 CCCCCCCCCOCCCSC 34a_100000690336_100011214924 [0,2,0,0,0,0|0,1,1]=4 18729 B14R0.392 CCCCCCCCCOCCCSC 7a_100000690336_100000210328 [0,2,0,0,0,0|0,1,1]=4 18730 B14R0.392 CCCCCCCCCOCCOCC 34a_100000210136_100011214924 [0,2,0,0,0,0|1,0,1]=4 18731 B14R0.392 CCCCCCCCCOCCOCC 34a_100000210712_100000210147 [0,2,0,0,0,0|1,0,1]=4 18732 B14R0.392 CCCCCCCCCOCCOCC 7a_100000210136_100000210328 [0,2,0,0,0,0|1,0,1]=4 18733 B14R0.392 CCCCCCCCCOCCOCC 7a_100000210712_100011215890 [0,2,0,0,0,0|1,0,1]=4 18734 B14R0.392 CCCCCCCCCOCCSCC 34a_100000210712_100000757381 [0,2,0,0,0,0|1,0,1]=4 18735 B14R0.392 CCCCCCCCCOCCSCC 34a_100000212035_100011214924 [0,2,0,0,0,0|1,0,1]=4 18736 B14R0.392 CCCCCCCCCOCCSCC 7a_100000210712_100000757381 [0,2,0,0,0,0|1,0,1]=4 18737 B14R0.392 CCCCCCCCCOCCSCC 7a_100000212035_100000210328 [0,2,0,0,0,0|1,0,1]=4 18738 B14R0.392 CCCCCCCCCSCCCC#N 62a_100000687738_100000210670 [0,2,0,0,0,0|1,0,1]=4 18739 B14R0.392 CCCCCCCCCSCCCC=O 62a_200011292268_100000210670 [0,2,0,0,0,0|0,0,0]=2 18740 B14R0.392 CCCCCCCCCSCCCCC 62a_100000210326_100000210670 [0,2,0,0,0,0|1,0,1]=4 18741 B14R0.392 CCCCCCCCCSCCCCF 62a_100000729493_100000210670 [0,2,0,0,0,0|1,0,1]=4 18742 B14R0.392 CCCCCCCCCSCCCCO 62a_100000210776_100000210670 [0,2,0,0,0,0|0,0,2]=4 18743 B14R0.392 CCCCCCCCCSCCCOC 62a_100000709357_100000210670 [0,2,0,0,0,0|0,0,2]=4 18744 B14R0.392 CCCCCCCCCSCCOCC 62a_100000210147_100000210670 [0,2,0,0,0,0|1,0,1]=4 18745 B14R0.392 CCCCCCCCCSCCSC#N 62a_100000034367_100000210670 [0,2,0,0,0,0|1,0,1]=4 18746 B14R0.392 CCCCCCCCCSCCSCC 62a_100000757381_100000210670 [0,2,0,0,0,0|1,0,1]=4 18747 B14R0.392 CCCCCCCCNCCCCC#N 2230a_100000229939_100000211819 [0,2,0,0,0,0|1,0,1]=4 18748 B14R0.392 CCCCCCCCNCCCCC=O 2230a_100000229939_100000139335 [0,2,0,0,0,0|0,0,0]=2 18749 B14R0.392 CCCCCCCCNCCCCCC 2230a_100000210581_100000210759 [0,2,0,0,0,0|1,0,1]=4 18750 B14R0.392 CCCCCCCCNCCCCCC 2230a_100000229939_100000210314 [0,2,0,0,0,0|1,0,1]=4 18751 B14R0.392 CCCCCCCCNCCCCCC 34a_100000229939_100000210314 [0,2,0,0,0,0|1,0,1]=4 18752 B14R0.392 CCCCCCCCNCCCCCF 2230a_100000229939_100000729378 [0,2,0,0,0,0|1,0,1]=4 18753 B14R0.392 CCCCCCCCNCCCCCF 34a_100000229939_100000729378 [0,2,0,0,0,0|1,0,1]=4 18754 B14R0.392 CCCCCCCCNCCCCCO 2230a_100000229939_100000746330 [0,2,0,0,0,0|0,0,2]=4 18755 B14R0.392 CCCCCCCCNCCCCCO 2230a_100000762737_100000210759 [0,2,0,0,0,0|0,0,2]=4 18756 B14R0.392 CCCCCCCCNCCCCCO 34a_100000229939_100000746330 [0,2,0,0,0,0|0,0,2]=4 18757 B14R0.392 CCCCCCCCNCCCCCO 34a_100000762737_100000210759 [0,2,0,0,0,0|0,0,2]=4 18758 B14R0.392 CCCCCCCCNCCCCOC 2230a_100000229939_100000730899 [0,2,0,0,0,0|0,0,2]=4 18759 B14R0.392 CCCCCCCCNCCCCOC 34a_100000229939_100000755781 [0,2,0,0,0,0|0,0,2]=4 18760 B14R0.392 CCCCCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210759 [0,2,0,0,0,0|2,0,0]=4 18761 B14R0.392 CCCCCCCCNCCCOCC 2230a_100000210961_100000210759 [0,2,0,0,0,0|1,0,1]=4 18762 B14R0.392 CCCCCCCCNCCCOCC 2230a_100000229939_100012232248 [0,2,0,0,0,0|1,0,1]=4 18763 B14R0.392 CCCCCCCCNCCCOCC 34a_100000210961_100000210759 [0,2,0,0,0,0|1,0,1]=4 18764 B14R0.392 CCCCCCCCNCCCOCC 34a_100000229939_100012232248 [0,2,0,0,0,0|1,0,1]=4 18765 B14R0.392 CCCCCCCCNCCOCC#N 2230a_100000229939_200000047693 [0,2,0,0,0,0|1,0,1]=4 18766 B14R0.392 CCCCCCCCNCCOCCC 2230a_100000229939_100011215938 [0,2,0,0,0,0|1,0,1]=4 18767 B14R0.392 CCCCCCCCNCCOCCC 2230a_100161115042_100000210759 [0,2,0,0,0,0|1,0,1]=4 18768 B14R0.392 CCCCCCCCNCCOCCC 34a_100000229939_100011215938 [0,2,0,0,0,0|1,0,1]=4 18769 B14R0.392 CCCCCCCCNCCOCCC 34a_100161115042_100000210759 [0,2,0,0,0,0|1,0,1]=4 18770 B14R0.392 CCCCCCCCNCCOCCO 2230a_100000211614_100000210759 [0,2,0,0,0,0|0,0,2]=4 18771 B14R0.392 CCCCCCCCNCCOCCO 2230a_100000229939_100011215305 [0,2,0,0,0,0|0,0,2]=4 18772 B14R0.392 CCCCCCCCNCCOCCO 34a_100000211614_100000210759 [0,2,0,0,0,0|0,0,2]=4 18773 B14R0.392 CCCCCCCCNCCOCCO 34a_100000229939_100000692535 [0,2,0,0,0,0|0,0,2]=4 18774 B14R0.392 CCCCCCCCNCCSCCC 2230a_100020603323_100000210759 [0,2,0,0,0,0|1,0,1]=4 18775 B14R0.392 CCCCCCCCNCCSCCO 2230a_100011219999_100000210759 [0,2,0,0,0,0|0,0,2]=4 18776 B14R0.392 CCCCCCCCNCOCCCC 2230a_100000229939_100011995733 [0,2,0,0,0,0|1,0,1]=4 18777 B14R0.392 CCCCCCCCNCOCCCC 34a_100000229939_100011995733 [0,2,0,0,0,0|1,0,1]=4 18778 B14R0.392 CCCCCCCCNCOCCOC 2230a_100000229939_100000231047 [0,2,0,0,0,0|2,0,0]=4 18779 B14R0.392 CCCCCCCCOCCCCC#N 7a_100000210232_100000211819 [0,2,0,0,0,0|1,0,1]=4 18780 B14R0.392 CCCCCCCCOCCCCC=O 7a_100000210232_100000139335 [0,2,0,0,0,0|0,0,0]=2 18781 B14R0.392 CCCCCCCCOCCCCCBr 34a_100000746331_100000210759 [0,2,0,0,0,0|1,0,1]=4 18782 B14R0.392 CCCCCCCCOCCCCCBr 7a_100000746331_100000210759 [0,2,0,0,0,0|1,0,1]=4 18783 B14R0.392 CCCCCCCCOCCCCCC 34a_100000210232_100000210314 [0,2,0,0,0,0|1,0,1]=4 18784 B14R0.392 CCCCCCCCOCCCCCC 34a_100000210259_100000210759 [0,2,0,0,0,0|1,0,1]=4 18785 B14R0.392 CCCCCCCCOCCCCCC 7a_100000210232_100000210314 [0,2,0,0,0,0|1,0,1]=4 18786 B14R0.392 CCCCCCCCOCCCCCC 7a_100000210259_100000210759 [0,2,0,0,0,0|1,0,1]=4 18787 B14R0.392 CCCCCCCCOCCCCCCl 34a_100000746330_100000210759 [0,2,0,0,0,0|1,0,1]=4 18788 B14R0.392 CCCCCCCCOCCCCCCl 7a_100000746330_100000210759 [0,2,0,0,0,0|1,0,1]=4 18789 B14R0.392 CCCCCCCCOCCCCCF 34a_100000210232_100000729378 [0,2,0,0,0,0|1,0,1]=4 18790 B14R0.392 CCCCCCCCOCCCCCF 7a_100000210232_100000729378 [0,2,0,0,0,0|1,0,1]=4 18791 B14R0.392 CCCCCCCCOCCCCCI 34a_200012148887_100000210759 [0,2,0,0,0,0|1,0,1]=4 18792 B14R0.392 CCCCCCCCOCCCCCI 7a_200012148887_100000210759 [0,2,0,0,0,0|1,0,1]=4 18793 B14R0.392 CCCCCCCCOCCCCCN 34a_100000762737_100000210759 [0,2,0,0,0,0|1,0,1]=4 18794 B14R0.392 CCCCCCCCOCCCCCO 34a_100000210232_100000746330 [0,2,0,0,0,0|0,0,2]=4 18795 B14R0.392 CCCCCCCCOCCCCCO 7a_100000210232_100000746330 [0,2,0,0,0,0|0,0,2]=4 18796 B14R0.392 CCCCCCCCOCCCCOC 34a_100000210232_100000755781 [0,2,0,0,0,0|0,0,2]=4 18797 B14R0.392 CCCCCCCCOCCCCOC 34a_100000740925_100000210759 [0,2,0,0,0,0|0,0,2]=4 18798 B14R0.392 CCCCCCCCOCCCCOC 7a_100000210232_100000730899 [0,2,0,0,0,0|0,0,2]=4 18799 B14R0.392 CCCCCCCCOCCCCSC 34a_100011217163_100000210759 [0,2,0,0,0,0|0,1,1]=4 18800 B14R0.392 CCCCCCCCOCCCCSC 7a_100011217163_100000210759 [0,2,0,0,0,0|0,1,1]=4 18801 B14R0.392 CCCCCCCCOCCCOCC 34a_100000210232_100012232248 [0,2,0,0,0,0|1,0,1]=4 18802 B14R0.392 CCCCCCCCOCCCOCC 34a_100000757476_100000210759 [0,2,0,0,0,0|1,0,1]=4 18803 B14R0.392 CCCCCCCCOCCCOCC 7a_100000210232_100012232248 [0,2,0,0,0,0|1,0,1]=4 18804 B14R0.392 CCCCCCCCOCCCOCC 7a_100000757476_100000210759 [0,2,0,0,0,0|1,0,1]=4 18805 B14R0.392 CCCCCCCCOCCCSCC 34a_100011216438_100000210759 [0,2,0,0,0,0|1,0,1]=4 18806 B14R0.392 CCCCCCCCOCCCSCC 7a_100011216438_100000210759 [0,2,0,0,0,0|1,0,1]=4 18807 B14R0.392 CCCCCCCCOCCOCC#N 7a_100000210232_200000047693 [0,2,0,0,0,0|1,0,1]=4 18808 B14R0.392 CCCCCCCCOCCOCCBr 34a_100000692535_100000210759 [0,2,0,0,0,0|1,0,1]=4 18809 B14R0.392 CCCCCCCCOCCOCCBr 7a_100000692535_100000210759 [0,2,0,0,0,0|1,0,1]=4 18810 B14R0.392 CCCCCCCCOCCOCCC 34a_100000210232_100011215938 [0,2,0,0,0,0|1,0,1]=4 18811 B14R0.392 CCCCCCCCOCCOCCC 34a_100000752267_100000210759 [0,2,0,0,0,0|1,0,1]=4 18812 B14R0.392 CCCCCCCCOCCOCCC 7a_100000210232_100011215938 [0,2,0,0,0,0|1,0,1]=4 18813 B14R0.392 CCCCCCCCOCCOCCC 7a_100000752267_100000210759 [0,2,0,0,0,0|1,0,1]=4 18814 B14R0.392 CCCCCCCCOCCOCCCl 34a_100011215305_100000210759 [0,2,0,0,0,0|1,0,1]=4 18815 B14R0.392 CCCCCCCCOCCOCCCl 7a_100011215305_100000210759 [0,2,0,0,0,0|1,0,1]=4 18816 B14R0.392 CCCCCCCCOCCOCCF 34a_200015357709_100000210759 [0,2,0,0,0,0|1,0,1]=4 18817 B14R0.392 CCCCCCCCOCCOCCF 7a_200015357709_100000210759 [0,2,0,0,0,0|1,0,1]=4 18818 B14R0.392 CCCCCCCCOCCOCCI 34a_100012149058_100000210759 [0,2,0,0,0,0|1,0,1]=4 18819 B14R0.392 CCCCCCCCOCCOCCI 7a_100012149058_100000210759 [0,2,0,0,0,0|1,0,1]=4 18820 B14R0.392 CCCCCCCCOCCOCCN 34a_100000211614_100000210759 [0,2,0,0,0,0|1,0,1]=4 18821 B14R0.392 CCCCCCCCOCCOCCO 34a_100000210232_100000692535 [0,2,0,0,0,0|0,0,2]=4 18822 B14R0.392 CCCCCCCCOCCOCCO 7a_100000210232_100011215305 [0,2,0,0,0,0|0,0,2]=4 18823 B14R0.392 CCCCCCCCOCCSCCC 34a_200000230433_100000210759 [0,2,0,0,0,0|1,0,1]=4 18824 B14R0.392 CCCCCCCCOCCSCCC 7a_200000230433_100000210759 [0,2,0,0,0,0|1,0,1]=4 18825 B14R0.392 CCCCCCCCOCOCCCC 34a_100000210232_100011995733 [0,2,0,0,0,0|1,0,1]=4 18826 B14R0.392 CCCCCCCCSCCCCC#N 62a_100000210759_100000211819 [0,2,0,0,0,0|1,0,1]=4 18827 B14R0.392 CCCCCCCCSCCCCC#N 62a_100011219923_100000210317 [0,2,0,0,0,0|1,0,1]=4 18828 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000139335_100000210317 [0,2,0,0,0,0|0,0,0]=2 18829 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000210759_100000139335 [0,2,0,0,0,0|0,0,0]=2 18830 B14R0.392 CCCCCCCCSCCCCCC 62a_100000210314_100000210317 [0,2,0,0,0,0|1,0,1]=4 18831 B14R0.392 CCCCCCCCSCCCCCC 62a_100000210759_100000210757 [0,2,0,0,0,0|1,0,1]=4 18832 B14R0.392 CCCCCCCCSCCCCCF 62a_100000210759_100000729378 [0,2,0,0,0,0|1,0,1]=4 18833 B14R0.392 CCCCCCCCSCCCCCF 62a_100000729378_100000210317 [0,2,0,0,0,0|1,0,1]=4 18834 B14R0.392 CCCCCCCCSCCCCCO 62a_100000210759_100000746330 [0,2,0,0,0,0|0,0,2]=4 18835 B14R0.392 CCCCCCCCSCCCCCO 62a_100000746330_100000210317 [0,2,0,0,0,0|0,0,2]=4 18836 B14R0.392 CCCCCCCCSCCCCOC 62a_100000210759_100000730899 [0,2,0,0,0,0|0,0,2]=4 18837 B14R0.392 CCCCCCCCSCCCCOC 62a_100000730899_100000210317 [0,2,0,0,0,0|0,0,2]=4 18838 B14R0.392 CCCCCCCCSCCCOCC 62a_100000210759_100012232248 [0,2,0,0,0,0|1,0,1]=4 18839 B14R0.392 CCCCCCCCSCCCOCC 62a_100012232248_100000210317 [0,2,0,0,0,0|1,0,1]=4 18840 B14R0.392 CCCCCCCCSCCOCC#N 62a_100000210759_200000047693 [0,2,0,0,0,0|1,0,1]=4 18841 B14R0.392 CCCCCCCCSCCOCC#N 62a_200000047693_100000210317 [0,2,0,0,0,0|1,0,1]=4 18842 B14R0.392 CCCCCCCCSCCOCCC 62a_100000210759_100011215938 [0,2,0,0,0,0|1,0,1]=4 18843 B14R0.392 CCCCCCCCSCCOCCC 62a_100011215938_100000210317 [0,2,0,0,0,0|1,0,1]=4 18844 B14R0.392 CCCCCCCCSCCOCCO 62a_100000210759_100011215305 [0,2,0,0,0,0|0,0,2]=4 18845 B14R0.392 CCCCCCCCSCCOCCO 62a_100011215305_100000210317 [0,2,0,0,0,0|0,0,2]=4 18846 B14R0.392 CCCCCCCCSCOCCCC 62a_100000210759_100011995733 [0,2,0,0,0,0|1,0,1]=4 18847 B14R0.392 CCCCCCCCSCOCCCC 62a_100011995733_100000210317 [0,2,0,0,0,0|1,0,1]=4 18848 B14R0.392 CCCCCCCCSCOCCOC 62a_100000210759_100000231047 [0,2,0,0,0,0|2,0,0]=4 18849 B14R0.392 CCCCCCCCSCOCCOC 62a_100000231047_100000210317 [0,2,0,0,0,0|2,0,0]=4 18850 B14R0.392 CCCCCCCNCCCCCC#N 2230a_100000229938_100009813376 [0,2,0,0,0,0|1,0,1]=4 18851 B14R0.392 CCCCCCCNCCCCCC=O 2230a_100000229938_100000139337 [0,2,0,0,0,0|0,0,0]=2 18852 B14R0.392 CCCCCCCNCCCCCCC 2230a_100000229938_100000210681 [0,2,0,0,0,0|1,0,1]=4 18853 B14R0.392 CCCCCCCNCCCCCCF 2230a_100000229938_100015922095 [0,2,0,0,0,0|1,0,1]=4 18854 B14R0.392 CCCCCCCNCCCCCCO 2230a_100000229938_100000766143 [0,2,0,0,0,0|0,0,2]=4 18855 B14R0.392 CCCCCCCNCCCCCCO 2230a_100000686447_100000210681 [0,2,0,0,0,0|0,0,2]=4 18856 B14R0.392 CCCCCCCNCCCCCCO 34a_100000686447_100000210614 [0,2,0,0,0,0|0,0,2]=4 18857 B14R0.392 CCCCCCCNCCCCCOC 2230a_100000747528_100000210681 [0,2,0,0,0,0|0,0,2]=4 18858 B14R0.392 CCCCCCCNCCCCCOC 34a_100000747528_100000210614 [0,2,0,0,0,0|0,0,2]=4 18859 B14R0.392 CCCCCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210681 [0,2,0,0,0,0|2,0,0]=4 18860 B14R0.392 CCCCCCCNCCCOCCC 2230a_100011217757_100000210681 [0,2,0,0,0,0|1,0,1]=4 18861 B14R0.392 CCCCCCCNCCCOCCC 34a_100011217757_100000210614 [0,2,0,0,0,0|1,0,1]=4 18862 B14R0.392 CCCCCCCNCCOCCCC 2230a_100000229938_100000743108 [0,2,0,0,0,0|1,0,1]=4 18863 B14R0.392 CCCCCCCNCCOCCOC 2230a_100000229938_100000695917 [0,2,0,0,0,0|2,0,0]=4 18864 B14R0.392 CCCCCCCNCCOCCOC 2230a_100000745349_100000210681 [0,2,0,0,0,0|2,0,0]=4 18865 B14R0.392 CCCCCCCNCCOCCOC 34a_100000745349_100000210614 [0,2,0,0,0,0|2,0,0]=4 18866 B14R0.392 CCCCCCCNCCSCCCC 2230a_100025743550_100000210681 [0,2,0,0,0,0|1,0,1]=4 18867 B14R0.392 CCCCCCCOCCCCCC#N 7a_100000210272_100009813376 [0,2,0,0,0,0|1,0,1]=4 18868 B14R0.392 CCCCCCCOCCCCCC=O 7a_100000210272_100000139337 [0,2,0,0,0,0|0,0,0]=2 18869 B14R0.392 CCCCCCCOCCCCCCBr 34a_100011215345_100000210614 [0,2,0,0,0,0|1,0,1]=4 18870 B14R0.392 CCCCCCCOCCCCCCBr 7a_100011215345_100000210614 [0,2,0,0,0,0|1,0,1]=4 18871 B14R0.392 CCCCCCCOCCCCCCC 34a_100000210272_100000210614 [0,2,0,0,0,0|1,0,1]=4 18872 B14R0.392 CCCCCCCOCCCCCCC 7a_100000210272_100000210614 [0,2,0,0,0,0|1,0,1]=4 18873 B14R0.392 CCCCCCCOCCCCCCCl 34a_100000766143_100000210614 [0,2,0,0,0,0|1,0,1]=4 18874 B14R0.392 CCCCCCCOCCCCCCCl 7a_100000766143_100000210614 [0,2,0,0,0,0|1,0,1]=4 18875 B14R0.392 CCCCCCCOCCCCCCF 34a_100000210272_100015922095 [0,2,0,0,0,0|1,0,1]=4 18876 B14R0.392 CCCCCCCOCCCCCCF 34a_100000732779_100000210614 [0,2,0,0,0,0|1,0,1]=4 18877 B14R0.392 CCCCCCCOCCCCCCF 7a_100000210272_100015922095 [0,2,0,0,0,0|1,0,1]=4 18878 B14R0.392 CCCCCCCOCCCCCCF 7a_100000732779_100000210614 [0,2,0,0,0,0|1,0,1]=4 18879 B14R0.392 CCCCCCCOCCCCCCN 34a_100000686447_100000210614 [0,2,0,0,0,0|1,0,1]=4 18880 B14R0.392 CCCCCCCOCCCCCCO 34a_100000210272_100000766143 [0,2,0,0,0,0|0,0,2]=4 18881 B14R0.392 CCCCCCCOCCCCCCO 7a_100000210272_100000766143 [0,2,0,0,0,0|0,0,2]=4 18882 B14R0.392 CCCCCCCOCCCCCNC 34a_100000722520_100000210614 [0,2,0,0,0,0|1,0,1]=4 18883 B14R0.392 CCCCCCCOCCOCCCC 34a_100000210238_100000210614 [0,2,0,0,0,0|1,0,1]=4 18884 B14R0.392 CCCCCCCOCCOCCCC 34a_100000210272_100000743108 [0,2,0,0,0,0|1,0,1]=4 18885 B14R0.392 CCCCCCCOCCOCCCC 7a_100000210238_100000210614 [0,2,0,0,0,0|1,0,1]=4 18886 B14R0.392 CCCCCCCOCCOCCCC 7a_100000210272_100000743108 [0,2,0,0,0,0|1,0,1]=4 18887 B14R0.392 CCCCCCCOCCOCCNC 34a_100000228057_100000210614 [0,2,0,0,0,0|2,0,0]=4 18888 B14R0.392 CCCCCCCOCCOCCOC 34a_100000210272_100000695917 [0,2,0,0,0,0|2,0,0]=4 18889 B14R0.392 CCCCCCCOCCOCCOC 34a_100011215163_100000210614 [0,2,0,0,0,0|2,0,0]=4 18890 B14R0.392 CCCCCCCOCCOCCOC 7a_100000210272_100000695917 [0,2,0,0,0,0|2,0,0]=4 18891 B14R0.392 CCCCCCCOCCOCCOC 7a_100011215163_100000210614 [0,2,0,0,0,0|2,0,0]=4 18892 B14R0.392 CCCCCCCOCCSCCCC 34a_200000230436_100000210614 [0,2,0,0,0,0|1,0,1]=4 18893 B14R0.392 CCCCCCCOCCSCCCC 7a_200000230436_100000210614 [0,2,0,0,0,0|1,0,1]=4 18894 B14R0.392 CCCCCCCSCCCCCC#N 62a_100000210614_100009813376 [0,2,0,0,0,0|1,0,1]=4 18895 B14R0.392 CCCCCCCSCCCCCC#N 62a_100009813376_100000210316 [0,2,0,0,0,0|1,0,1]=4 18896 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000139337_100000210316 [0,2,0,0,0,0|0,0,0]=2 18897 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000210614_100000139337 [0,2,0,0,0,0|0,0,0]=2 18898 B14R0.392 CCCCCCCSCCCCCCC 62a_100000210614_100000210316 [0,2,0,0,0,0|1,0,1]=4 18899 B14R0.392 CCCCCCCSCCCCCCF 62a_100000210614_100015922095 [0,2,0,0,0,0|1,0,1]=4 18900 B14R0.392 CCCCCCCSCCCCCCF 62a_100015922095_100000210316 [0,2,0,0,0,0|1,0,1]=4 18901 B14R0.392 CCCCCCCSCCCCCCO 62a_100000210614_100000766143 [0,2,0,0,0,0|0,0,2]=4 18902 B14R0.392 CCCCCCCSCCCCCCO 62a_100000766143_100000210316 [0,2,0,0,0,0|0,0,2]=4 18903 B14R0.392 CCCCCCCSCCOCCCC 62a_100000210614_100000743108 [0,2,0,0,0,0|1,0,1]=4 18904 B14R0.392 CCCCCCCSCCOCCCC 62a_100000743108_100000210316 [0,2,0,0,0,0|1,0,1]=4 18905 B14R0.392 CCCCCCCSCCOCCOC 62a_100000210614_100000695917 [0,2,0,0,0,0|2,0,0]=4 18906 B14R0.392 CCCCCCCSCCOCCOC 62a_100000695917_100000210316 [0,2,0,0,0,0|2,0,0]=4 18907 B14R0.392 CCCCCCNCCCCCCC#N 2230a_100000210581_100009813337 [0,2,0,0,0,0|1,0,1]=4 18908 B14R0.392 CCCCCCNCCCCCCCO 2230a_100000210581_100000760002 [0,2,0,0,0,0|0,0,2]=4 18909 B14R0.392 CCCCCCNCCCCCCCO 2230a_100011996573_100000210314 [0,2,0,0,0,0|0,0,2]=4 18910 B14R0.392 CCCCCCNCCCCCCCO 34a_100011996573_100000210314 [0,2,0,0,0,0|0,0,2]=4 18911 B14R0.392 CCCCCCNCCCCCCOC 2230a_100000210581_100011998445 [0,2,0,0,0,0|0,0,2]=4 18912 B14R0.392 CCCCCCNCCCOCCCC 2230a_200000211371_100000210314 [0,2,0,0,0,0|1,0,1]=4 18913 B14R0.392 CCCCCCNCCCOCCCC 34a_200000211371_100000210314 [0,2,0,0,0,0|1,0,1]=4 18914 B14R0.392 CCCCCCNCCCOCCCO 2230a_100011310245_100000210314 [0,2,0,0,0,0|0,0,2]=4 18915 B14R0.392 CCCCCCNCCCOCCCO 34a_100011310245_100000210314 [0,2,0,0,0,0|0,0,2]=4 18916 B14R0.392 CCCCCCNCCCOCCOC 2230a_100000206027_100000210314 [0,2,0,0,0,0|2,0,0]=4 18917 B14R0.392 CCCCCCNCCCOCCOC 2230a_100000210581_100011216529 [0,2,0,0,0,0|2,0,0]=4 18918 B14R0.392 CCCCCCNCCCOCCOC 34a_100000206027_100000210314 [0,2,0,0,0,0|2,0,0]=4 18919 B14R0.392 CCCCCCOCCCCCCC#N 7a_100000210259_100009813337 [0,2,0,0,0,0|1,0,1]=4 18920 B14R0.392 CCCCCCOCCCCCCCBr 34a_100000760002_100000210314 [0,2,0,0,0,0|1,0,1]=4 18921 B14R0.392 CCCCCCOCCCCCCCBr 7a_100000760002_100000210314 [0,2,0,0,0,0|1,0,1]=4 18922 B14R0.392 CCCCCCOCCCCCCCN 34a_100011996573_100000210314 [0,2,0,0,0,0|1,0,1]=4 18923 B14R0.392 CCCCCCOCCCCCCCO 34a_100000210259_100000760002 [0,2,0,0,0,0|0,0,2]=4 18924 B14R0.392 CCCCCCOCCCCCCCO 7a_100000210259_100000760002 [0,2,0,0,0,0|0,0,2]=4 18925 B14R0.392 CCCCCCOCCCCCCOC 34a_100000210259_100011998445 [0,2,0,0,0,0|0,0,2]=4 18926 B14R0.392 CCCCCCOCCCCCCOC 34a_200012092642_100000210314 [0,2,0,0,0,0|0,0,2]=4 18927 B14R0.392 CCCCCCOCCCCCCOC 7a_100000210259_100011998445 [0,2,0,0,0,0|0,0,2]=4 18928 B14R0.392 CCCCCCOCCCCCCOC 7a_200012092642_100000210314 [0,2,0,0,0,0|0,0,2]=4 18929 B14R0.392 CCCCCCOCCCOCCCC 34a_200011215613_100000210314 [0,2,0,0,0,0|1,0,1]=4 18930 B14R0.392 CCCCCCOCCCOCCCC 7a_200011215613_100000210314 [0,2,0,0,0,0|1,0,1]=4 18931 B14R0.392 CCCCCCOCCCOCCCN 34a_100011310245_100000210314 [0,2,0,0,0,0|1,0,1]=4 18932 B14R0.392 CCCCCCOCCCOCCOC 34a_100000210259_100011216529 [0,2,0,0,0,0|2,0,0]=4 18933 B14R0.392 CCCCCCOCCCOCCOC 7a_100000210259_100011216529 [0,2,0,0,0,0|2,0,0]=4 18934 B14R0.392 CCCCCCOCCNCCCCC 34a_100000224656_100000210314 [0,2,0,0,0,0|1,0,1]=4 18935 B14R0.392 CCCCCCOCCOCCCC#N 7a_100000691444_100000687738 [0,2,0,0,0,0|1,0,1]=4 18936 B14R0.392 CCCCCCOCCOCCCC=O 7a_100000691444_200011292268 [0,2,0,0,0,0|0,0,0]=2 18937 B14R0.392 CCCCCCOCCOCCCCC 34a_100000691444_100000718602 [0,2,0,0,0,0|1,0,1]=4 18938 B14R0.392 CCCCCCOCCOCCCCC 34a_100011215259_100000210314 [0,2,0,0,0,0|1,0,1]=4 18939 B14R0.392 CCCCCCOCCOCCCCC 7a_100000691444_100000210326 [0,2,0,0,0,0|1,0,1]=4 18940 B14R0.392 CCCCCCOCCOCCCCC 7a_100011215259_100000210314 [0,2,0,0,0,0|1,0,1]=4 18941 B14R0.392 CCCCCCOCCOCCCCF 34a_100000691444_100000729493 [0,2,0,0,0,0|1,0,1]=4 18942 B14R0.392 CCCCCCOCCOCCCCF 7a_100000691444_100000729493 [0,2,0,0,0,0|1,0,1]=4 18943 B14R0.392 CCCCCCOCCOCCCCO 34a_100000691444_100011216708 [0,2,0,0,0,0|0,0,2]=4 18944 B14R0.392 CCCCCCOCCOCCCCO 7a_100000691444_100000210776 [0,2,0,0,0,0|0,0,2]=4 18945 B14R0.392 CCCCCCOCCOCCCOC 34a_100000691444_100000740836 [0,2,0,0,0,0|2,0,0]=4 18946 B14R0.392 CCCCCCOCCOCCCOC 7a_100000691444_100000740836 [0,2,0,0,0,0|2,0,0]=4 18947 B14R0.392 CCCCCCSCCCCCCC#N 62a_100000210314_100009813337 [0,2,0,0,0,0|1,0,1]=4 18948 B14R0.392 CCCCCCSCCCCCCC#N 62a_100009813337_100000210757 [0,2,0,0,0,0|1,0,1]=4 18949 B14R0.392 CCCCCCSCCCCCCCO 62a_100000210314_100000760002 [0,2,0,0,0,0|0,0,2]=4 18950 B14R0.392 CCCCCCSCCCCCCCO 62a_100000760002_100000210757 [0,2,0,0,0,0|0,0,2]=4 18951 B14R0.392 CCCCCCSCCCCCCOC 62a_100000210314_100011998445 [0,2,0,0,0,0|0,0,2]=4 18952 B14R0.392 CCCCCCSCCCCCCOC 62a_100011998445_100000210757 [0,2,0,0,0,0|0,0,2]=4 18953 B14R0.392 CCCCCCSCCCOCCOC 62a_100000210314_100011216529 [0,2,0,0,0,0|2,0,0]=4 18954 B14R0.392 CCCCCCSCCCOCCOC 62a_100011216529_100000210757 [0,2,0,0,0,0|2,0,0]=4 18955 B14R0.392 CCCCCNCCCCCCCCO 2230a_100000209983_100000033203 [0,2,0,0,0,0|0,0,2]=4 18956 B14R0.392 CCCCCNCCCCCCCCO 2230a_102515433106_100000210326 [0,2,0,0,0,0|0,0,2]=4 18957 B14R0.392 CCCCCNCCCCCCCCO 34a_102515433106_100000718602 [0,2,0,0,0,0|0,0,2]=4 18958 B14R0.392 CCCCCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210326 [0,2,0,0,0,0|2,0,0]=4 18959 B14R0.392 CCCCCNCCOCCCCCF 34a_100000224656_100000729378 [0,2,0,0,0,0|1,0,1]=4 18960 B14R0.392 CCCCCNCCOCCCCCO 34a_100000224656_100000746330 [0,2,0,0,0,0|0,0,2]=4 18961 B14R0.392 CCCCCNCCOCCCCOC 34a_100000224656_100000755781 [0,2,0,0,0,0|2,0,0]=4 18962 B14R0.392 CCCCCOCCCCCCCCBr 34a_100009813846_100000718602 [0,2,0,0,0,0|1,0,1]=4 18963 B14R0.392 CCCCCOCCCCCCCCBr 7a_100009813846_100000210326 [0,2,0,0,0,0|1,0,1]=4 18964 B14R0.392 CCCCCOCCCCCCCCCl 34a_100000033203_100000718602 [0,2,0,0,0,0|1,0,1]=4 18965 B14R0.392 CCCCCOCCCCCCCCCl 7a_100000033203_100000210326 [0,2,0,0,0,0|1,0,1]=4 18966 B14R0.392 CCCCCOCCCCCCCCN 34a_102515433106_100000718602 [0,2,0,0,0,0|1,0,1]=4 18967 B14R0.392 CCCCCOCCCCCCCCO 34a_100000210253_100000033203 [0,2,0,0,0,0|0,0,2]=4 18968 B14R0.392 CCCCCOCCCCCCCCO 7a_100000210253_100000033203 [0,2,0,0,0,0|0,0,2]=4 18969 B14R0.392 CCCCCOCCCCCNCCN 34a_103619048469_100000718602 [0,2,0,0,0,0|1,0,1]=4 18970 B14R0.392 CCCCCOCCCCNCCCC 34a_200011216965_100000718602 [0,2,0,0,0,0|1,0,1]=4 18971 B14R0.392 CCCCCOCCCCOCCCC 34a_200000760531_100000718602 [0,2,0,0,0,0|1,0,1]=4 18972 B14R0.392 CCCCCOCCCCOCCCC 7a_200000760531_100000210326 [0,2,0,0,0,0|1,0,1]=4 18973 B14R0.392 CCCCCOCCCOCCCOC 34a_200011215475_100000718602 [0,2,0,0,0,0|2,0,0]=4 18974 B14R0.392 CCCCCOCCCOCCCOC 7a_200011215475_100000210326 [0,2,0,0,0,0|2,0,0]=4 18975 B14R0.392 CCCCCOCCOCCCCC#N 7a_100011215259_100000211819 [0,2,0,0,0,0|1,0,1]=4 18976 B14R0.392 CCCCCOCCOCCCCC=O 7a_100011215259_100000139335 [0,2,0,0,0,0|0,0,0]=2 18977 B14R0.392 CCCCCOCCOCCCCCF 34a_100011215259_100000729378 [0,2,0,0,0,0|1,0,1]=4 18978 B14R0.392 CCCCCOCCOCCCCCF 7a_100011215259_100000729378 [0,2,0,0,0,0|1,0,1]=4 18979 B14R0.392 CCCCCOCCOCCCCCO 34a_100011215259_100000746330 [0,2,0,0,0,0|0,0,2]=4 18980 B14R0.392 CCCCCOCCOCCCCCO 7a_100011215259_100000746330 [0,2,0,0,0,0|0,0,2]=4 18981 B14R0.392 CCCCCOCCOCCCCOC 34a_100011215259_100000755781 [0,2,0,0,0,0|2,0,0]=4 18982 B14R0.392 CCCCCOCCOCCCCOC 7a_100011215259_100000730899 [0,2,0,0,0,0|2,0,0]=4 18983 B14R0.392 CCCCCSCCCCCCCCO 62a_100000033203_100000210326 [0,2,0,0,0,0|0,0,2]=4 18984 B14R0.392 CCCCCSCCCCCCCCO 62a_100000210326_100000033203 [0,2,0,0,0,0|0,0,2]=4 18985 B14R0.392 CCCCNCCCCCCCCCO 2230a_100000078944_100000210211 [0,2,0,0,0,0|0,0,2]=4 18986 B14R0.392 CCCCNCCCCCCCCCO 2230a_100000102301_100009813782 [0,2,0,0,0,0|0,0,2]=4 18987 B14R0.392 CCCCNCCCCCCCCCO 34a_100000078944_100000210210 [0,2,0,0,0,0|0,0,2]=4 18988 B14R0.392 CCCCNCCCCCCCCCO 7a_106832991798_100009813782 [0,2,0,0,0,0|0,0,2]=4 18989 B14R0.392 CCCCNCCCCOCCCCF 34a_200011216965_100000729493 [0,2,0,0,0,0|1,0,1]=4 18990 B14R0.392 CCCCNCCCCOCCCCO 34a_200011216965_100011216708 [0,2,0,0,0,0|0,0,2]=4 18991 B14R0.392 CCCCNCCCCOCCCOC 34a_200011216965_100000740836 [0,2,0,0,0,0|2,0,0]=4 18992 B14R0.392 CCCCOCCCCCCCCCBr 34a_100009813782_100000210210 [0,2,0,0,0,0|1,0,1]=4 18993 B14R0.392 CCCCOCCCCCCCCCBr 7a_100009813782_100000210211 [0,2,0,0,0,0|1,0,1]=4 18994 B14R0.392 CCCCOCCCCCCCCCCl 34a_100009868337_100000210210 [0,2,0,0,0,0|1,0,1]=4 18995 B14R0.392 CCCCOCCCCCCCCCCl 7a_100009868337_100000210211 [0,2,0,0,0,0|1,0,1]=4 18996 B14R0.392 CCCCOCCCCCCCCCN 34a_100000078944_100000210210 [0,2,0,0,0,0|1,0,1]=4 18997 B14R0.392 CCCCOCCCCCCCCCO 34a_100000210227_100009813782 [0,2,0,0,0,0|0,0,2]=4 18998 B14R0.392 CCCCOCCCCCCCCCO 7a_100000210227_100009813782 [0,2,0,0,0,0|0,0,2]=4 18999 B14R0.392 CCCCOCCCCOCCCC#N 7a_200000760531_100000687738 [0,2,0,0,0,0|1,0,1]=4 19000 B14R0.392 CCCCOCCCCOCCCC=O 7a_200000760531_200011292268 [0,2,0,0,0,0|0,0,0]=2 19001 B14R0.392 CCCCOCCCCOCCCCF 34a_200000760531_100000729493 [0,2,0,0,0,0|1,0,1]=4 19002 B14R0.392 CCCCOCCCCOCCCCF 7a_200000760531_100000729493 [0,2,0,0,0,0|1,0,1]=4 19003 B14R0.392 CCCCOCCCCOCCCCO 34a_200000760531_100011216708 [0,2,0,0,0,0|0,0,2]=4 19004 B14R0.392 CCCCOCCCCOCCCCO 7a_200000760531_100000210776 [0,2,0,0,0,0|0,0,2]=4 19005 B14R0.392 CCCCOCCCCOCCCOC 34a_200000760531_100000740836 [0,2,0,0,0,0|2,0,0]=4 19006 B14R0.392 CCCCOCCCCOCCCOC 7a_200000760531_100000740836 [0,2,0,0,0,0|2,0,0]=4 19007 B14R0.392 CCCCOCCCNCCCCC#N 2230a_200000211371_100000211819 [0,2,0,0,0,0|1,0,1]=4 19008 B14R0.392 CCCCOCCCNCCCCC=O 2230a_200000211371_100000139335 [0,2,0,0,0,0|0,0,0]=2 19009 B14R0.392 CCCCOCCCNCCCCCF 2230a_200000211371_100000729378 [0,2,0,0,0,0|1,0,1]=4 19010 B14R0.392 CCCCOCCCNCCCCCF 34a_200000211371_100000729378 [0,2,0,0,0,0|1,0,1]=4 19011 B14R0.392 CCCCOCCCNCCCCCO 2230a_200000211371_100000746330 [0,2,0,0,0,0|0,0,2]=4 19012 B14R0.392 CCCCOCCCNCCCCCO 34a_200000211371_100000746330 [0,2,0,0,0,0|0,0,2]=4 19013 B14R0.392 CCCCOCCCNCCCCOC 2230a_200000211371_100000730899 [0,2,0,0,0,0|2,0,0]=4 19014 B14R0.392 CCCCOCCCNCCCCOC 34a_200000211371_100000755781 [0,2,0,0,0,0|2,0,0]=4 19015 B14R0.392 CCCCOCCCOCCCCC#N 7a_200011215613_100000211819 [0,2,0,0,0,0|1,0,1]=4 19016 B14R0.392 CCCCOCCCOCCCCC=O 7a_200011215613_100000139335 [0,2,0,0,0,0|0,0,0]=2 19017 B14R0.392 CCCCOCCCOCCCCCF 34a_200011215613_100000729378 [0,2,0,0,0,0|1,0,1]=4 19018 B14R0.392 CCCCOCCCOCCCCCF 7a_200011215613_100000729378 [0,2,0,0,0,0|1,0,1]=4 19019 B14R0.392 CCCCOCCCOCCCCCO 34a_200011215613_100000746330 [0,2,0,0,0,0|0,0,2]=4 19020 B14R0.392 CCCCOCCCOCCCCCO 7a_200011215613_100000746330 [0,2,0,0,0,0|0,0,2]=4 19021 B14R0.392 CCCCOCCCOCCCCOC 34a_200011215613_100000755781 [0,2,0,0,0,0|2,0,0]=4 19022 B14R0.392 CCCCOCCCOCCCCOC 7a_200011215613_100000730899 [0,2,0,0,0,0|2,0,0]=4 19023 B14R0.392 CCCCOCCNCCCCCCO 2230a_100000686447_100000743108 [0,2,0,0,0,0|0,0,2]=4 19024 B14R0.392 CCCCOCCNCCCCCCO 34a_100000686447_100000743108 [0,2,0,0,0,0|0,0,2]=4 19025 B14R0.392 CCCCOCCNCCCCCOC 2230a_100000747528_100000743108 [0,2,0,0,0,0|2,0,0]=4 19026 B14R0.392 CCCCOCCNCCCCCOC 34a_100000747528_100000743108 [0,2,0,0,0,0|2,0,0]=4 19027 B14R0.392 CCCCOCCOCCCCCC#N 7a_100000210238_100009813376 [0,2,0,0,0,0|1,0,1]=4 19028 B14R0.392 CCCCOCCOCCCCCC=O 7a_100000210238_100000139337 [0,2,0,0,0,0|0,0,0]=2 19029 B14R0.392 CCCCOCCOCCCCCCBr 34a_100011215345_100000743108 [0,2,0,0,0,0|1,0,1]=4 19030 B14R0.392 CCCCOCCOCCCCCCBr 7a_100011215345_100000743108 [0,2,0,0,0,0|1,0,1]=4 19031 B14R0.392 CCCCOCCOCCCCCCCl 34a_100000766143_100000743108 [0,2,0,0,0,0|1,0,1]=4 19032 B14R0.392 CCCCOCCOCCCCCCCl 7a_100000766143_100000743108 [0,2,0,0,0,0|1,0,1]=4 19033 B14R0.392 CCCCOCCOCCCCCCF 34a_100000210238_100015922095 [0,2,0,0,0,0|1,0,1]=4 19034 B14R0.392 CCCCOCCOCCCCCCF 34a_100000732779_100000743108 [0,2,0,0,0,0|1,0,1]=4 19035 B14R0.392 CCCCOCCOCCCCCCF 7a_100000210238_100015922095 [0,2,0,0,0,0|1,0,1]=4 19036 B14R0.392 CCCCOCCOCCCCCCF 7a_100000732779_100000743108 [0,2,0,0,0,0|1,0,1]=4 19037 B14R0.392 CCCCOCCOCCCCCCN 34a_100000686447_100000743108 [0,2,0,0,0,0|1,0,1]=4 19038 B14R0.392 CCCCOCCOCCCCCCO 34a_100000210238_100000766143 [0,2,0,0,0,0|0,0,2]=4 19039 B14R0.392 CCCCOCCOCCCCCCO 7a_100000210238_100000766143 [0,2,0,0,0,0|0,0,2]=4 19040 B14R0.392 CCCCOCCOCCCCCNC 34a_100000722520_100000743108 [0,2,0,0,0,0|2,0,0]=4 19041 B14R0.392 CCCCOCCSCCCCCC#N 62a_100000743108_100009813376 [0,2,0,0,0,0|1,0,1]=4 19042 B14R0.392 CCCCOCCSCCCCCC#N 62a_100009813376_100000743108 [0,2,0,0,0,0|1,0,1]=4 19043 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000139337_100000743108 [0,2,0,0,0,0|0,0,0]=2 19044 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000743108_100000139337 [0,2,0,0,0,0|0,0,0]=2 19045 B14R0.392 CCCCOCCSCCCCCCF 62a_100000743108_100015922095 [0,2,0,0,0,0|1,0,1]=4 19046 B14R0.392 CCCCOCCSCCCCCCF 62a_100015922095_100000743108 [0,2,0,0,0,0|1,0,1]=4 19047 B14R0.392 CCCCOCCSCCCCCCO 62a_100000743108_100000766143 [0,2,0,0,0,0|0,0,2]=4 19048 B14R0.392 CCCCOCCSCCCCCCO 62a_100000766143_100000743108 [0,2,0,0,0,0|0,0,2]=4 19049 B14R0.392 CCCCOCNCCCCCCCO 2230a_100011996573_100011995733 [0,2,0,0,0,0|0,0,2]=4 19050 B14R0.392 CCCCOCNCCCCCCCO 34a_100011996573_100011995733 [0,2,0,0,0,0|0,0,2]=4 19051 B14R0.392 CCCCOCOCCCCCCCBr 34a_100000760002_100011995733 [0,2,0,0,0,0|1,0,1]=4 19052 B14R0.392 CCCCOCOCCCCCCCN 34a_100011996573_100011995733 [0,2,0,0,0,0|1,0,1]=4 19053 B14R0.392 CCCCOCOCCCCCCOC 34a_200012092642_100011995733 [0,2,0,0,0,0|2,0,0]=4 19054 B14R0.392 CCCCOCSCCCCCCC#N 62a_100009813337_100011995733 [0,2,0,0,0,0|1,0,1]=4 19055 B14R0.392 CCCCOCSCCCCCCC#N 62a_100011995733_100009813337 [0,2,0,0,0,0|1,0,1]=4 19056 B14R0.392 CCCCOCSCCCCCCCO 62a_100000760002_100011995733 [0,2,0,0,0,0|0,0,2]=4 19057 B14R0.392 CCCCOCSCCCCCCCO 62a_100011995733_100000760002 [0,2,0,0,0,0|0,0,2]=4 19058 B14R0.392 CCCCOCSCCCCCCOC 62a_100011995733_100011998445 [0,2,0,0,0,0|2,0,0]=4 19059 B14R0.392 CCCCOCSCCCCCCOC 62a_100011998445_100011995733 [0,2,0,0,0,0|2,0,0]=4 19060 B14R0.392 CCCCSCCCCCCCCCO 62a_100000210211_100009813782 [0,2,0,0,0,0|0,0,2]=4 19061 B14R0.392 CCCCSCCCCCCCCCO 62a_100009813782_100000210210 [0,2,0,0,0,0|0,0,2]=4 19062 B14R0.392 CCCCSCCNCCCCCC#N 2230a_100025743550_100009813376 [0,2,0,0,0,0|1,0,1]=4 19063 B14R0.392 CCCCSCCNCCCCCC=O 2230a_100025743550_100000139337 [0,2,0,0,0,0|0,0,0]=2 19064 B14R0.392 CCCCSCCNCCCCCCF 2230a_100025743550_100015922095 [0,2,0,0,0,0|1,0,1]=4 19065 B14R0.392 CCCCSCCNCCCCCCO 2230a_100025743550_100000766143 [0,2,0,0,0,0|0,0,2]=4 19066 B14R0.392 CCCCSCCOCCCCCC#N 7a_200000230436_100009813376 [0,2,0,0,0,0|1,0,1]=4 19067 B14R0.392 CCCCSCCOCCCCCC=O 7a_200000230436_100000139337 [0,2,0,0,0,0|0,0,0]=2 19068 B14R0.392 CCCCSCCOCCCCCCF 34a_200000230436_100015922095 [0,2,0,0,0,0|1,0,1]=4 19069 B14R0.392 CCCCSCCOCCCCCCF 7a_200000230436_100015922095 [0,2,0,0,0,0|1,0,1]=4 19070 B14R0.392 CCCCSCCOCCCCCCO 34a_200000230436_100000766143 [0,2,0,0,0,0|0,0,2]=4 19071 B14R0.392 CCCCSCCOCCCCCCO 7a_200000230436_100000766143 [0,2,0,0,0,0|0,0,2]=4 19072 B14R0.392 CCCNCCCCCCCCCCO 2230a_100000066964_100000210303 [0,2,0,0,0,0|0,0,2]=4 19073 B14R0.392 CCCNCCCCCCCCCCO 34a_100000066964_100000210303 [0,2,0,0,0,0|0,0,2]=4 19074 B14R0.392 CCCOCCCCCCCCCCBr 34a_100009813290_100000210303 [0,2,0,0,0,0|1,0,1]=4 19075 B14R0.392 CCCOCCCCCCCCCCBr 7a_100009813290_100000210303 [0,2,0,0,0,0|1,0,1]=4 19076 B14R0.392 CCCOCCCCCCCCCCCl 34a_200000033068_100000210303 [0,2,0,0,0,0|1,0,1]=4 19077 B14R0.392 CCCOCCCCCCCCCCCl 7a_200000033068_100000210303 [0,2,0,0,0,0|1,0,1]=4 19078 B14R0.392 CCCOCCCCCCCCCCN 34a_100000066964_100000210303 [0,2,0,0,0,0|1,0,1]=4 19079 B14R0.392 CCCOCCCCCCCCCCO 34a_100000210258_100009813290 [0,2,0,0,0,0|0,0,2]=4 19080 B14R0.392 CCCOCCCNCCCCCC#N 2230a_100011217757_100009813376 [0,2,0,0,0,0|1,0,1]=4 19081 B14R0.392 CCCOCCCNCCCCCC=O 2230a_100011217757_100000139337 [0,2,0,0,0,0|0,0,0]=2 19082 B14R0.392 CCCOCCCNCCCCCCF 2230a_100011217757_100015922095 [0,2,0,0,0,0|1,0,1]=4 19083 B14R0.392 CCCOCCCNCCCCCCF 34a_100011217757_100015922095 [0,2,0,0,0,0|1,0,1]=4 19084 B14R0.392 CCCOCCCNCCCCCCO 2230a_100011217757_100000766143 [0,2,0,0,0,0|0,0,2]=4 19085 B14R0.392 CCCOCCCNCCCCCCO 34a_100011217757_100000766143 [0,2,0,0,0,0|0,0,2]=4 19086 B14R0.392 CCCOCCNCCCCCCC#N 2230a_100161115042_100009813337 [0,2,0,0,0,0|1,0,1]=4 19087 B14R0.392 CCCOCCNCCCCCCCO 2230a_100011996573_100011215938 [0,2,0,0,0,0|0,0,2]=4 19088 B14R0.392 CCCOCCNCCCCCCCO 2230a_100161115042_100000760002 [0,2,0,0,0,0|0,0,2]=4 19089 B14R0.392 CCCOCCNCCCCCCCO 34a_100011996573_100011215938 [0,2,0,0,0,0|0,0,2]=4 19090 B14R0.392 CCCOCCNCCCCCCCO 34a_100161115042_100000760002 [0,2,0,0,0,0|0,0,2]=4 19091 B14R0.392 CCCOCCNCCCCCCOC 2230a_100161115042_100011998445 [0,2,0,0,0,0|2,0,0]=4 19092 B14R0.392 CCCOCCNCCCCCCOC 34a_100161115042_100011998445 [0,2,0,0,0,0|2,0,0]=4 19093 B14R0.392 CCCOCCOCCCCCCC#N 7a_100000752267_100009813337 [0,2,0,0,0,0|1,0,1]=4 19094 B14R0.392 CCCOCCOCCCCCCCBr 34a_100000760002_100011215938 [0,2,0,0,0,0|1,0,1]=4 19095 B14R0.392 CCCOCCOCCCCCCCBr 7a_100000760002_100011215938 [0,2,0,0,0,0|1,0,1]=4 19096 B14R0.392 CCCOCCOCCCCCCCN 34a_100011996573_100011215938 [0,2,0,0,0,0|1,0,1]=4 19097 B14R0.392 CCCOCCOCCCCCCCO 34a_100000752267_100000760002 [0,2,0,0,0,0|0,0,2]=4 19098 B14R0.392 CCCOCCOCCCCCCCO 7a_100000752267_100000760002 [0,2,0,0,0,0|0,0,2]=4 19099 B14R0.392 CCCOCCOCCCCCCOC 34a_100000752267_100011998445 [0,2,0,0,0,0|2,0,0]=4 19100 B14R0.392 CCCOCCOCCCCCCOC 34a_200012092642_100011215938 [0,2,0,0,0,0|2,0,0]=4 19101 B14R0.392 CCCOCCOCCCCCCOC 7a_100000752267_100011998445 [0,2,0,0,0,0|2,0,0]=4 19102 B14R0.392 CCCOCCOCCCCCCOC 7a_200012092642_100011215938 [0,2,0,0,0,0|2,0,0]=4 19103 B14R0.392 CCCOCCOCCNCCCC=O 2230a_200011904461_200011292268 [0,2,0,0,0,0|1,0,0]=3 19104 B14R0.392 CCCOCCSCCCCCCC#N 62a_100009813337_100011215938 [0,2,0,0,0,0|1,0,1]=4 19105 B14R0.392 CCCOCCSCCCCCCC#N 62a_100011215938_100009813337 [0,2,0,0,0,0|1,0,1]=4 19106 B14R0.392 CCCOCCSCCCCCCCO 62a_100000760002_100011215938 [0,2,0,0,0,0|0,0,2]=4 19107 B14R0.392 CCCOCCSCCCCCCCO 62a_100011215938_100000760002 [0,2,0,0,0,0|0,0,2]=4 19108 B14R0.392 CCCOCCSCCCCCCOC 62a_100011215938_100011998445 [0,2,0,0,0,0|2,0,0]=4 19109 B14R0.392 CCCOCCSCCCCCCOC 62a_100011998445_100011215938 [0,2,0,0,0,0|2,0,0]=4 19110 B14R0.392 CCCSCCCCCCCCCCO 62a_100000210303_200000033068 [0,2,0,0,0,0|0,0,2]=4 19111 B14R0.392 CCCSCCCCCCCCCCO 62a_100009813290_100000210303 [0,2,0,0,0,0|0,0,2]=4 19112 B14R0.392 CCCSCCNCCCCCCC#N 2230a_100020603323_100009813337 [0,2,0,0,0,0|1,0,1]=4 19113 B14R0.392 CCCSCCNCCCCCCCO 2230a_100020603323_100000760002 [0,2,0,0,0,0|0,0,2]=4 19114 B14R0.392 CCCSCCNCCCCCCOC 2230a_100020603323_100011998445 [0,2,0,0,0,0|2,0,0]=4 19115 B14R0.392 CCCSCCOCCCCCCC#N 7a_200000230433_100009813337 [0,2,0,0,0,0|1,0,1]=4 19116 B14R0.392 CCCSCCOCCCCCCCO 34a_200000230433_100000760002 [0,2,0,0,0,0|0,0,2]=4 19117 B14R0.392 CCCSCCOCCCCCCCO 7a_200000230433_100000760002 [0,2,0,0,0,0|0,0,2]=4 19118 B14R0.392 CCCSCCOCCCCCCOC 34a_200000230433_100011998445 [0,2,0,0,0,0|2,0,0]=4 19119 B14R0.392 CCCSCCOCCCCCCOC 7a_200000230433_100011998445 [0,2,0,0,0,0|2,0,0]=4 19120 B14R0.392 CCNCCCCCCCCCCCO 2230a_100015525214_100009812471 [0,2,0,0,0,0|0,0,2]=4 19121 B14R0.392 CCOCCCCCCCCCCCBr 34a_100009812471_100000210202 [0,2,0,0,0,0|1,0,1]=4 19122 B14R0.392 CCOCCCCCCCCCCCBr 7a_100009812471_100000210202 [0,2,0,0,0,0|1,0,1]=4 19123 B14R0.392 CCOCCCCCCCCCCCO 34a_100121572206_100009812471 [0,2,0,0,0,0|0,0,2]=4 19124 B14R0.392 CCOCCCCCCCCCOCC 34a_100009875440_100000210202 [0,2,0,0,0,0|1,0,1]=4 19125 B14R0.392 CCOCCCCCCCCCOCC 7a_100009875440_100000210202 [0,2,0,0,0,0|1,0,1]=4 19126 B14R0.392 CCOCCCCCCCCCOCF 34a_100009875440_100015361967 [0,2,0,0,0,0|1,0,1]=4 19127 B14R0.392 CCOCCCCCCCCCOCF 7a_100009875440_100015361967 [0,2,0,0,0,0|1,0,1]=4 19128 B14R0.392 CCOCCCNCCCCCCC#N 2230a_100000210961_100009813337 [0,2,0,0,0,0|1,0,1]=4 19129 B14R0.392 CCOCCCNCCCCCCCO 2230a_100000210961_100000760002 [0,2,0,0,0,0|0,0,2]=4 19130 B14R0.392 CCOCCCNCCCCCCCO 2230a_100011996573_100012232248 [0,2,0,0,0,0|0,0,2]=4 19131 B14R0.392 CCOCCCNCCCCCCCO 34a_100000210961_100000760002 [0,2,0,0,0,0|0,0,2]=4 19132 B14R0.392 CCOCCCNCCCCCCCO 34a_100011996573_100012232248 [0,2,0,0,0,0|0,0,2]=4 19133 B14R0.392 CCOCCCNCCCCCCOC 2230a_100000210961_100011998445 [0,2,0,0,0,0|2,0,0]=4 19134 B14R0.392 CCOCCCNCCCCCCOC 34a_100000210961_100011998445 [0,2,0,0,0,0|2,0,0]=4 19135 B14R0.392 CCOCCCOCCCCCCC#N 7a_100000757476_100009813337 [0,2,0,0,0,0|1,0,1]=4 19136 B14R0.392 CCOCCCOCCCCCCCBr 34a_100000760002_100012232248 [0,2,0,0,0,0|1,0,1]=4 19137 B14R0.392 CCOCCCOCCCCCCCBr 7a_100000760002_100012232248 [0,2,0,0,0,0|1,0,1]=4 19138 B14R0.392 CCOCCCOCCCCCCCN 34a_100011996573_100012232248 [0,2,0,0,0,0|1,0,1]=4 19139 B14R0.392 CCOCCCOCCCCCCCO 34a_100000757476_100000760002 [0,2,0,0,0,0|0,0,2]=4 19140 B14R0.392 CCOCCCOCCCCCCCO 7a_100000757476_100000760002 [0,2,0,0,0,0|0,0,2]=4 19141 B14R0.392 CCOCCCOCCCCCCOC 34a_100000757476_100011998445 [0,2,0,0,0,0|2,0,0]=4 19142 B14R0.392 CCOCCCOCCCCCCOC 34a_200012092642_100012232248 [0,2,0,0,0,0|2,0,0]=4 19143 B14R0.392 CCOCCCOCCCCCCOC 7a_100000757476_100011998445 [0,2,0,0,0,0|2,0,0]=4 19144 B14R0.392 CCOCCCOCCCCCCOC 7a_200012092642_100012232248 [0,2,0,0,0,0|2,0,0]=4 19145 B14R0.392 CCOCCCSCCCCCCC#N 62a_100009813337_100012232248 [0,2,0,0,0,0|1,0,1]=4 19146 B14R0.392 CCOCCCSCCCCCCC#N 62a_100012232248_100009813337 [0,2,0,0,0,0|1,0,1]=4 19147 B14R0.392 CCOCCCSCCCCCCCO 62a_100000760002_100012232248 [0,2,0,0,0,0|0,0,2]=4 19148 B14R0.392 CCOCCCSCCCCCCCO 62a_100012232248_100000760002 [0,2,0,0,0,0|0,0,2]=4 19149 B14R0.392 CCOCCCSCCCCCCOC 62a_100011998445_100012232248 [0,2,0,0,0,0|2,0,0]=4 19150 B14R0.392 CCOCCCSCCCCCCOC 62a_100012232248_100011998445 [0,2,0,0,0,0|2,0,0]=4 19151 B14R0.392 CCOCCNCCCCCCCCO 2230a_102515433106_100011215890 [0,2,0,0,0,0|0,0,2]=4 19152 B14R0.392 CCOCCNCCCCCCCCO 2230a_102516460346_100000033203 [0,2,0,0,0,0|0,0,2]=4 19153 B14R0.392 CCOCCNCCCCCCCCO 34a_102515433106_100000210147 [0,2,0,0,0,0|0,0,2]=4 19154 B14R0.392 CCOCCNCCCCCCCCO 34a_102516460346_100000033203 [0,2,0,0,0,0|0,0,2]=4 19155 B14R0.392 CCOCCOCCCCCCCCBr 34a_100009813846_100000210147 [0,2,0,0,0,0|1,0,1]=4 19156 B14R0.392 CCOCCOCCCCCCCCBr 7a_100009813846_100011215890 [0,2,0,0,0,0|1,0,1]=4 19157 B14R0.392 CCOCCOCCCCCCCCCl 34a_100000033203_100000210147 [0,2,0,0,0,0|1,0,1]=4 19158 B14R0.392 CCOCCOCCCCCCCCCl 7a_100000033203_100011215890 [0,2,0,0,0,0|1,0,1]=4 19159 B14R0.392 CCOCCOCCCCCCCCN 34a_102515433106_100000210147 [0,2,0,0,0,0|1,0,1]=4 19160 B14R0.392 CCOCCOCCCCCCCCO 34a_100000210136_100000033203 [0,2,0,0,0,0|0,0,2]=4 19161 B14R0.392 CCOCCOCCCCCCCCO 7a_100000210136_100000033203 [0,2,0,0,0,0|0,0,2]=4 19162 B14R0.392 CCOCCOCCNCCCCC=O 2230a_100102712874_100000139335 [0,2,0,0,0,0|1,0,0]=3 19163 B14R0.392 CCOCCOCCOCCCCC=O 7a_100000210240_100000139335 [0,2,0,0,0,0|1,0,0]=3 19164 B14R0.392 CCOCCOCCOCCNCC=O 2230a_100012282185_200015260668 [0,2,0,0,0,0|2,0,0]=4 19165 B14R0.392 CCOCCOCCOCCNCC=O 34a_100012282185_200009817547 [0,2,0,0,0,0|2,0,0]=4 19166 B14R0.392 CCOCCOCCOCCOCC=O 34a_100000033264_200009817547 [0,2,0,0,0,0|2,0,0]=4 19167 B14R0.392 CCOCCOCCOCCOCC=O 7a_100000033264_200015260668 [0,2,0,0,0,0|2,0,0]=4 19168 B14R0.392 CCOCCOCCSCCCCC=O 62a_100000139335_100011211534 [0,2,0,0,0,0|1,0,0]=3 19169 B14R0.392 CCOCCOCCSCCCCC=O 62a_100011211534_100000139335 [0,2,0,0,0,0|1,0,0]=3 19170 B14R0.392 CCOCCSCCCCCCCCO 62a_100000033203_100011215890 [0,2,0,0,0,0|0,0,2]=4 19171 B14R0.392 CCOCCSCCCCCCCCO 62a_100000210147_100000033203 [0,2,0,0,0,0|0,0,2]=4 19172 B14R0.392 CCOCSCCCCCCCCCO 62a_100000739092_100009813782 [0,2,0,0,0,0|0,0,2]=4 19173 B14R0.392 CCOCSCCCCCCCCCO 62a_100009813782_100000739092 [0,2,0,0,0,0|0,0,2]=4 19174 B14R0.392 CCSCCCCCCCCCCCO 62a_100009812471_100000210202 [0,2,0,0,0,0|0,0,2]=4 19175 B14R0.392 CCSCCCOCCCCCCC#N 7a_100011216438_100009813337 [0,2,0,0,0,0|1,0,1]=4 19176 B14R0.392 CCSCCCOCCCCCCCO 34a_100011216438_100000760002 [0,2,0,0,0,0|0,0,2]=4 19177 B14R0.392 CCSCCCOCCCCCCCO 7a_100011216438_100000760002 [0,2,0,0,0,0|0,0,2]=4 19178 B14R0.392 CCSCCCOCCCCCCOC 34a_100011216438_100011998445 [0,2,0,0,0,0|2,0,0]=4 19179 B14R0.392 CCSCCCOCCCCCCOC 7a_100011216438_100011998445 [0,2,0,0,0,0|2,0,0]=4 19180 B14R0.392 CCSCCNCCCCCCCCO 2230a_100000106463_100000033203 [0,2,0,0,0,0|0,0,2]=4 19181 B14R0.392 CCSCCNCCCCCCCCO 2230a_102515433106_100000757381 [0,2,0,0,0,0|0,0,2]=4 19182 B14R0.392 CCSCCNCCCCCCCCO 34a_102515433106_100000757381 [0,2,0,0,0,0|0,0,2]=4 19183 B14R0.392 CCSCCOCCCCCCCCBr 34a_100009813846_100000757381 [0,2,0,0,0,0|1,0,1]=4 19184 B14R0.392 CCSCCOCCCCCCCCBr 7a_100009813846_100000757381 [0,2,0,0,0,0|1,0,1]=4 19185 B14R0.392 CCSCCOCCCCCCCCCl 34a_100000033203_100000757381 [0,2,0,0,0,0|1,0,1]=4 19186 B14R0.392 CCSCCOCCCCCCCCCl 7a_100000033203_100000757381 [0,2,0,0,0,0|1,0,1]=4 19187 B14R0.392 CCSCCOCCCCCCCCN 34a_102515433106_100000757381 [0,2,0,0,0,0|1,0,1]=4 19188 B14R0.392 CCSCCOCCCCCCCCO 34a_100000212035_100000033203 [0,2,0,0,0,0|0,0,2]=4 19189 B14R0.392 CCSCCOCCCCCCCCO 7a_100000212035_100000033203 [0,2,0,0,0,0|0,0,2]=4 19190 B14R0.392 CCSCCSCCCCCCCCO 62a_100000033203_100000757381 [0,2,0,0,0,0|0,0,2]=4 19191 B14R0.392 CCSCCSCCCCCCCCO 62a_100000757381_100000033203 [0,2,0,0,0,0|0,0,2]=4 19192 B14R0.392 CNCCCCCCCCCCCCO 2230a_100000066677_200000210301 [0,2,0,0,0,0|0,0,2]=4 19193 B14R0.392 CNCCCCCCCCCCCCO 2230a_106832991635_100009813331 [0,2,0,0,0,0|0,0,2]=4 19194 B14R0.392 CNCCCCCCCCCCCCO 34a_100000066677_200000210301 [0,2,0,0,0,0|0,0,2]=4 19195 B14R0.392 CNCCCCCCCCCCCCO 34a_100102657272_100009813331 [0,2,0,0,0,0|0,0,2]=4 19196 B14R0.392 CNCCCCCCCCCCCCO 7a_106832991635_100009813331 [0,2,0,0,0,0|0,0,2]=4 19197 B14R0.392 CNCCCCCCOCCCCCO 2230a_106832991635_200132310570 [0,2,0,0,0,0|0,0,2]=4 19198 B14R0.392 CNCCCCCCOCCCCCO 34a_100102657272_200132310570 [0,2,0,0,0,0|0,0,2]=4 19199 B14R0.392 CNCCCCCCOCCCCCO 7a_106832991635_200132310570 [0,2,0,0,0,0|0,0,2]=4 19200 B14R0.392 CNCCCCCOCCCCCCF 34a_100000722520_100015922095 [0,2,0,0,0,0|1,0,1]=4 19201 B14R0.392 CNCCCCCOCCCCCCO 34a_100000722520_100000766143 [0,2,0,0,0,0|0,0,2]=4 19202 B14R0.392 CNCCCOCCCCCCCCO 34a_100000213112_100000033203 [0,2,0,0,0,0|0,0,2]=4 19203 B14R0.392 COCCCCCCCCCCCCBr 34a_100009813331_200000210301 [0,2,0,0,0,0|0,0,2]=4 19204 B14R0.392 COCCCCCCCCCCCCBr 7a_100009813331_200000210301 [0,2,0,0,0,0|0,0,2]=4 19205 B14R0.392 COCCCCCCCCCCCCN 34a_100000066677_200000210301 [0,2,0,0,0,0|0,0,2]=4 19206 B14R0.392 COCCCCCCCCCCCCO 34a_100138415774_100009813331 [0,2,0,0,0,0|0,0,2]=4 19207 B14R0.392 COCCCCCCNCCCCCO 2230a_100000762737_100011998445 [0,2,0,0,0,0|0,0,2]=4 19208 B14R0.392 COCCCCCCNCCCCCO 34a_100000762737_100011998445 [0,2,0,0,0,0|0,0,2]=4 19209 B14R0.392 COCCCCCCOCCCCC#N 7a_200012092642_100000211819 [0,2,0,0,0,0|1,0,1]=4 19210 B14R0.392 COCCCCCCOCCCCC=O 7a_200012092642_100000139335 [0,2,0,0,0,0|0,0,0]=2 19211 B14R0.392 COCCCCCCOCCCCCBr 34a_100000746331_100011998445 [0,2,0,0,0,0|1,0,1]=4 19212 B14R0.392 COCCCCCCOCCCCCBr 7a_100000746331_100011998445 [0,2,0,0,0,0|1,0,1]=4 19213 B14R0.392 COCCCCCCOCCCCCCl 34a_100000746330_100011998445 [0,2,0,0,0,0|1,0,1]=4 19214 B14R0.392 COCCCCCCOCCCCCCl 7a_100000746330_100011998445 [0,2,0,0,0,0|1,0,1]=4 19215 B14R0.392 COCCCCCCOCCCCCF 34a_200012092642_100000729378 [0,2,0,0,0,0|1,0,1]=4 19216 B14R0.392 COCCCCCCOCCCCCF 7a_200012092642_100000729378 [0,2,0,0,0,0|1,0,1]=4 19217 B14R0.392 COCCCCCCOCCCCCI 34a_200012148887_100011998445 [0,2,0,0,0,0|1,0,1]=4 19218 B14R0.392 COCCCCCCOCCCCCI 7a_200012148887_100011998445 [0,2,0,0,0,0|1,0,1]=4 19219 B14R0.392 COCCCCCCOCCCCCN 34a_100000762737_100011998445 [0,2,0,0,0,0|1,0,1]=4 19220 B14R0.392 COCCCCCCOCCCCCO 34a_100138415774_200132310570 [0,2,0,0,0,0|0,0,2]=4 19221 B14R0.392 COCCCCCCOCCCCCO 34a_200012092642_100000746330 [0,2,0,0,0,0|0,0,2]=4 19222 B14R0.392 COCCCCCCOCCCCCO 7a_200012092642_100000746330 [0,2,0,0,0,0|0,0,2]=4 19223 B14R0.392 COCCCCCCOCCCCOC 34a_100000740925_100011998445 [0,2,0,0,0,0|2,0,0]=4 19224 B14R0.392 COCCCCCCOCCCCOC 34a_200012092642_100000755781 [0,2,0,0,0,0|2,0,0]=4 19225 B14R0.392 COCCCCCCOCCCCOC 7a_200012092642_100000730899 [0,2,0,0,0,0|2,0,0]=4 19226 B14R0.392 COCCCCCCOCCCCSC 34a_100011217163_100011998445 [0,2,0,0,0,0|2,0,0]=4 19227 B14R0.392 COCCCCCCOCCCCSC 7a_100011217163_100011998445 [0,2,0,0,0,0|2,0,0]=4 19228 B14R0.392 COCCCCCCSCCCCC#N 62a_100011219923_100011998445 [0,2,0,0,0,0|1,0,1]=4 19229 B14R0.392 COCCCCCCSCCCCC#N 62a_100011998445_100000211819 [0,2,0,0,0,0|1,0,1]=4 19230 B14R0.392 COCCCCCCSCCCCC=O 62a_100000139335_100011998445 [0,2,0,0,0,0|0,0,0]=2 19231 B14R0.392 COCCCCCCSCCCCC=O 62a_100011998445_100000139335 [0,2,0,0,0,0|0,0,0]=2 19232 B14R0.392 COCCCCCCSCCCCCF 62a_100000729378_100011998445 [0,2,0,0,0,0|1,0,1]=4 19233 B14R0.392 COCCCCCCSCCCCCF 62a_100011998445_100000729378 [0,2,0,0,0,0|1,0,1]=4 19234 B14R0.392 COCCCCCCSCCCCCO 62a_100000746330_100011998445 [0,2,0,0,0,0|0,0,2]=4 19235 B14R0.392 COCCCCCCSCCCCCO 62a_100011998445_100000746330 [0,2,0,0,0,0|0,0,2]=4 19236 B14R0.392 COCCCCCCSCCCCOC 62a_100000730899_100011998445 [0,2,0,0,0,0|2,0,0]=4 19237 B14R0.392 COCCCCCCSCCCCOC 62a_100011998445_100000730899 [0,2,0,0,0,0|2,0,0]=4 19238 B14R0.392 COCCCCCNCCCCCC#N 2230a_100000747528_100009813376 [0,2,0,0,0,0|1,0,1]=4 19239 B14R0.392 COCCCCCNCCCCCC=O 2230a_100000747528_100000139337 [0,2,0,0,0,0|0,0,0]=2 19240 B14R0.392 COCCCCCNCCCCCCF 2230a_100000747528_100015922095 [0,2,0,0,0,0|1,0,1]=4 19241 B14R0.392 COCCCCCNCCCCCCF 34a_100000747528_100015922095 [0,2,0,0,0,0|1,0,1]=4 19242 B14R0.392 COCCCCCNCCCCCCO 2230a_100000747528_100000766143 [0,2,0,0,0,0|0,0,2]=4 19243 B14R0.392 COCCCCCNCCCCCCO 34a_100000747528_100000766143 [0,2,0,0,0,0|0,0,2]=4 19244 B14R0.392 COCCCCCOCCCCCCCl 34a_200132310570_200000210301 [0,2,0,0,0,0|1,0,1]=4 19245 B14R0.392 COCCCCCOCCCCCCCl 7a_200132310570_200000210301 [0,2,0,0,0,0|1,0,1]=4 19246 B14R0.392 COCCCCNCCCCCCCO 2230a_100011996573_100000730899 [0,2,0,0,0,0|0,0,2]=4 19247 B14R0.392 COCCCCNCCCCCCCO 34a_100011996573_100000755781 [0,2,0,0,0,0|0,0,2]=4 19248 B14R0.392 COCCCCOCCCCCCCBr 34a_100000760002_100000755781 [0,2,0,0,0,0|1,0,1]=4 19249 B14R0.392 COCCCCOCCCCCCCBr 7a_100000760002_100000730899 [0,2,0,0,0,0|1,0,1]=4 19250 B14R0.392 COCCCCOCCCCCCCN 34a_100011996573_100000755781 [0,2,0,0,0,0|1,0,1]=4 19251 B14R0.392 COCCCCOCCCCCCCO 34a_100000740925_100000760002 [0,2,0,0,0,0|0,0,2]=4 19252 B14R0.392 COCCCCSCCCCCCC#N 62a_100000730899_100009813337 [0,2,0,0,0,0|1,0,1]=4 19253 B14R0.392 COCCCCSCCCCCCC#N 62a_100009813337_100000730899 [0,2,0,0,0,0|1,0,1]=4 19254 B14R0.392 COCCCCSCCCCCCCO 62a_100000730899_100000760002 [0,2,0,0,0,0|0,0,2]=4 19255 B14R0.392 COCCCCSCCCCCCCO 62a_100000760002_100000730899 [0,2,0,0,0,0|0,0,2]=4 19256 B14R0.392 COCCCNCCCCCCCCO 2230a_102515433106_100000740836 [0,2,0,0,0,0|0,0,2]=4 19257 B14R0.392 COCCCNCCCCCCCCO 34a_100150723488_100000033203 [0,2,0,0,0,0|0,0,2]=4 19258 B14R0.392 COCCCNCCCCCCCCO 34a_102515433106_100000740836 [0,2,0,0,0,0|0,0,2]=4 19259 B14R0.392 COCCCOCCCCCCCCBr 34a_100009813846_100000740836 [0,2,0,0,0,0|1,0,1]=4 19260 B14R0.392 COCCCOCCCCCCCCBr 7a_100009813846_100000740836 [0,2,0,0,0,0|1,0,1]=4 19261 B14R0.392 COCCCOCCCCCCCCCl 34a_100000033203_100000740836 [0,2,0,0,0,0|1,0,1]=4 19262 B14R0.392 COCCCOCCCCCCCCCl 7a_100000033203_100000740836 [0,2,0,0,0,0|1,0,1]=4 19263 B14R0.392 COCCCOCCCCCCCCN 34a_102515433106_100000740836 [0,2,0,0,0,0|1,0,1]=4 19264 B14R0.392 COCCCOCCCCCCCCO 34a_100000740835_100000033203 [0,2,0,0,0,0|0,0,2]=4 19265 B14R0.392 COCCCOCCCOCCCC=O 7a_200011215475_200011292268 [0,2,0,0,0,0|1,0,0]=3 19266 B14R0.392 COCCCSCCCCCCCCO 62a_100000033203_100000709357 [0,2,0,0,0,0|0,0,2]=4 19267 B14R0.392 COCCCSCCCCCCCCO 62a_100000709357_100000033203 [0,2,0,0,0,0|0,0,2]=4 19268 B14R0.392 COCCNCCCCCCCCCO 2230a_100000078944_100011201679 [0,2,0,0,0,0|0,0,2]=4 19269 B14R0.392 COCCNCCCCCCCCCO 2230a_100000209980_100009813782 [0,2,0,0,0,0|0,0,2]=4 19270 B14R0.392 COCCNCCCCCCCCCO 34a_100000078944_100011201679 [0,2,0,0,0,0|0,0,2]=4 19271 B14R0.392 COCCOCCCCCCCCCBr 34a_100009813782_100011201679 [0,2,0,0,0,0|1,0,1]=4 19272 B14R0.392 COCCOCCCCCCCCCBr 7a_100009813782_100000233755 [0,2,0,0,0,0|1,0,1]=4 19273 B14R0.392 COCCOCCCCCCCCCCl 34a_100009868337_100011201679 [0,2,0,0,0,0|1,0,1]=4 19274 B14R0.392 COCCOCCCCCCCCCCl 7a_100009868337_100000233755 [0,2,0,0,0,0|1,0,1]=4 19275 B14R0.392 COCCOCCCCCCCCCN 34a_100000078944_100011201679 [0,2,0,0,0,0|1,0,1]=4 19276 B14R0.392 COCCOCCCCCCCCCO 34a_100000210237_100009813782 [0,2,0,0,0,0|0,0,2]=4 19277 B14R0.392 COCCOCCCNCCCCC=O 2230a_100000206027_100000139335 [0,2,0,0,0,0|1,0,0]=3 19278 B14R0.392 COCCOCCCSCCCCC=O 62a_100000139335_100011216529 [0,2,0,0,0,0|1,0,0]=3 19279 B14R0.392 COCCOCCCSCCCCC=O 62a_100011216529_100000139335 [0,2,0,0,0,0|1,0,0]=3 19280 B14R0.392 COCCOCCNCCCCCC=O 2230a_100000745349_100000139337 [0,2,0,0,0,0|1,0,0]=3 19281 B14R0.392 COCCOCCOCCCCCC=O 7a_100011215163_100000139337 [0,2,0,0,0,0|1,0,0]=3 19282 B14R0.392 COCCOCCSCCCCCC=O 62a_100000139337_100000695917 [0,2,0,0,0,0|1,0,0]=3 19283 B14R0.392 COCCOCCSCCCCCC=O 62a_100000695917_100000139337 [0,2,0,0,0,0|1,0,0]=3 19284 B14R0.392 COCCSCCCCCCCCCO 62a_100000233755_100009813782 [0,2,0,0,0,0|0,0,2]=4 19285 B14R0.392 COCCSCCCCCCCCCO 62a_100009813782_100000233755 [0,2,0,0,0,0|0,0,2]=4 19286 B14R0.392 COCNCCCCCCCCCCO 2230a_100000066964_100000766300 [0,2,0,0,0,0|0,0,2]=4 19287 B14R0.392 COCSCCCCCCCCCCO 62a_100000766300_200000033068 [0,2,0,0,0,0|0,0,2]=4 19288 B14R0.392 COCSCCCCCCCCCCO 62a_100009813290_100000766300 [0,2,0,0,0,0|0,0,2]=4 19289 B14R0.392 CSCCCCCCCCCCCCO 62a_100009813331_200000210301 [0,2,0,0,0,0|0,0,2]=4 19290 B14R0.392 CSCCCCCCOCCCCCO 62a_200000210301_200132310570 [0,2,0,0,0,0|0,0,2]=4 19291 B14R0.392 CSCCCCCCOCCCCCO 62a_200132310570_200000210301 [0,2,0,0,0,0|0,0,2]=4 19292 B14R0.392 CSCCCCOCCCCCCC#N 7a_100011217163_100009813337 [0,2,0,0,0,0|1,0,1]=4 19293 B14R0.392 CSCCCCOCCCCCCCO 34a_100011217163_100000760002 [0,2,0,0,0,0|0,0,2]=4 19294 B14R0.392 CSCCCCOCCCCCCCO 7a_100011217163_100000760002 [0,2,0,0,0,0|0,0,2]=4 19295 B14R0.392 CSCCCNCCCCCCCCO 2230a_100000749238_100000033203 [0,2,0,0,0,0|0,0,2]=4 19296 B14R0.392 CSCCCOCCCCCCCCO 34a_100000690336_100000033203 [0,2,0,0,0,0|0,0,2]=4 19297 B14R0.392 CSCCCOCCCCCCCCO 7a_100000690336_100000033203 [0,2,0,0,0,0|0,0,2]=4 19298 B14R0.392 CSCCNCCCCCCCCCO 2230a_100000078944_100000751147 [0,2,0,0,0,0|0,0,2]=4 19299 B14R0.392 CSCCNCCCCCCCCCO 2230a_100020590264_100009813782 [0,2,0,0,0,0|0,0,2]=4 19300 B14R0.392 CSCCNCCCCCCCCCO 34a_100000078944_100000212216 [0,2,0,0,0,0|0,0,2]=4 19301 B14R0.392 CSCCOCCCCCCCCCBr 34a_100009813782_100000212216 [0,2,0,0,0,0|1,0,1]=4 19302 B14R0.392 CSCCOCCCCCCCCCBr 7a_100009813782_100000212216 [0,2,0,0,0,0|1,0,1]=4 19303 B14R0.392 CSCCOCCCCCCCCCCl 34a_100009868337_100000212216 [0,2,0,0,0,0|1,0,1]=4 19304 B14R0.392 CSCCOCCCCCCCCCCl 7a_100009868337_100000212216 [0,2,0,0,0,0|1,0,1]=4 19305 B14R0.392 CSCCOCCCCCCCCCN 34a_100000078944_100000212216 [0,2,0,0,0,0|1,0,1]=4 19306 B14R0.392 CSCCOCCCCCCCCCO 34a_100000230434_100009813782 [0,2,0,0,0,0|0,0,2]=4 19307 B14R0.392 CSCCOCCCCCCCCCO 7a_100000230434_100009813782 [0,2,0,0,0,0|0,0,2]=4 19308 B14R0.392 CSCCSCCCCCCCCCO 62a_100000212216_100009813782 [0,2,0,0,0,0|0,0,2]=4 19309 B14R0.392 CSCCSCCCCCCCCCO 62a_100009813782_100000751147 [0,2,0,0,0,0|0,0,2]=4 19310 B14R0.392 CSCNCCCCCCCCCCO 2230a_100000066964_100011218213 [0,2,0,0,0,0|0,0,2]=4 19311 B14R0.392 CSCNCCCCCCCCCCO 34a_100000066964_100011218213 [0,2,0,0,0,0|0,0,2]=4 19312 B14R0.392 CSCOCCCCCCCCCCBr 34a_100009813290_100011218213 [0,2,0,0,0,0|1,0,1]=4 19313 B14R0.392 CSCOCCCCCCCCCCCl 34a_200000033068_100011218213 [0,2,0,0,0,0|1,0,1]=4 19314 B14R0.392 CSCOCCCCCCCCCCN 34a_100000066964_100011218213 [0,2,0,0,0,0|1,0,1]=4 19315 B14R0.392 CSCSCCCCCCCCCCO 62a_100009813290_100011218213 [0,2,0,0,0,0|0,0,2]=4 19316 B14R0.392 CSCSCCCCCCCCCCO 62a_100011218213_200000033068 [0,2,0,0,0,0|0,0,2]=4 19317 B14R0.392 FCCCCCCOCCCCCCBr 34a_100011215345_100015922095 [0,2,0,0,0,0|1,0,1]=4 19318 B14R0.392 FCCCCCCOCCCCCCBr 7a_100011215345_100015922095 [0,2,0,0,0,0|1,0,1]=4 19319 B14R0.392 FCCCCCCOCCCCCCCl 34a_100000766143_100015922095 [0,2,0,0,0,0|1,0,1]=4 19320 B14R0.392 FCCCCCCOCCCCCCCl 7a_100000766143_100015922095 [0,2,0,0,0,0|1,0,1]=4 19321 B14R0.392 FCCCCCCOCCCCCCF 34a_100000732779_100015922095 [0,2,0,0,0,0|1,0,1]=4 19322 B14R0.392 FCCCCCCOCCCCCCF 7a_100000732779_100015922095 [0,2,0,0,0,0|1,0,1]=4 19323 B14R0.392 FCCCCCCSCCCCCCF 62a_100015922095_100015922095 [0,2,0,0,0,0|1,0,1]=4 19324 B14R0.392 FCCCCCOCCCCCCCBr 34a_100000760002_100000729378 [0,2,0,0,0,0|1,0,1]=4 19325 B14R0.392 FCCCCCOCCCCCCCBr 7a_100000760002_100000729378 [0,2,0,0,0,0|1,0,1]=4 19326 B14R0.392 FCCCCOCCCCCCCCBr 34a_100009813846_100000729493 [0,2,0,0,0,0|1,0,1]=4 19327 B14R0.392 FCCCCOCCCCCCCCBr 7a_100009813846_100000729493 [0,2,0,0,0,0|1,0,1]=4 19328 B14R0.392 FCCCCOCCCCCCCCCl 34a_100000033203_100000729493 [0,2,0,0,0,0|1,0,1]=4 19329 B14R0.392 FCCCCOCCCCCCCCCl 7a_100000033203_100000729493 [0,2,0,0,0,0|1,0,1]=4 19330 B14R0.392 FCCCOCCCCCCCCCBr 34a_100009813782_100011934791 [0,2,0,0,0,0|1,0,1]=4 19331 B14R0.392 FCCCOCCCCCCCCCBr 7a_100009813782_100011934791 [0,2,0,0,0,0|1,0,1]=4 19332 B14R0.392 FCCCOCCCCCCCCCCl 34a_100009868337_100011934791 [0,2,0,0,0,0|1,0,1]=4 19333 B14R0.392 FCCCOCCCCCCCCCCl 7a_100009868337_100011934791 [0,2,0,0,0,0|1,0,1]=4 19334 B14R0.392 FCCOCCCCCCCCCCBr 34a_100009813290_100011217306 [0,2,0,0,0,0|1,0,1]=4 19335 B14R0.392 FCCOCCCCCCCCCCBr 7a_100009813290_100011217306 [0,2,0,0,0,0|1,0,1]=4 19336 B14R0.392 FCCOCCCCCCCCCCCl 34a_200000033068_100011217306 [0,2,0,0,0,0|1,0,1]=4 19337 B14R0.392 FCCOCCCCCCCCCCCl 7a_200000033068_100011217306 [0,2,0,0,0,0|1,0,1]=4 19338 B14R0.392 FCOCCCCCCCCCCCBr 34a_100009812471_100015361967 [0,2,0,0,0,0|1,0,1]=4 19339 B14R0.392 FCOCCCCCCCCCCCBr 7a_100009812471_100015361967 [0,2,0,0,0,0|1,0,1]=4 19340 B14R0.392 N#CCCCCCCNCCCCCO 2230a_100000762737_100009813337 [0,2,0,0,0,0|1,0,1]=4 19341 B14R0.392 N#CCCCCCCOCCCCCBr 7a_100000746331_100009813337 [0,2,0,0,0,0|1,0,1]=4 19342 B14R0.392 N#CCCCCCCOCCCCCCl 7a_100000746330_100009813337 [0,2,0,0,0,0|1,0,1]=4 19343 B14R0.392 N#CCCCCCCOCCCCCI 7a_200012148887_100009813337 [0,2,0,0,0,0|1,0,1]=4 19344 B14R0.392 N#CCCCCCCSCCCCC=O 62a_100000139335_100009813337 [0,2,0,0,0,0|0,0,1]=3 19345 B14R0.392 N#CCCCCCCSCCCCC=O 62a_100009813337_100000139335 [0,2,0,0,0,0|0,0,1]=3 19346 B14R0.392 N#CCCCCCCSCCCCCF 62a_100000729378_100009813337 [0,2,0,0,0,0|1,0,1]=4 19347 B14R0.392 N#CCCCCCCSCCCCCF 62a_100009813337_100000729378 [0,2,0,0,0,0|1,0,1]=4 19348 B14R0.392 N#CCCCCCCSCCCCCO 62a_100000746330_100009813337 [0,2,0,0,0,0|1,0,1]=4 19349 B14R0.392 N#CCCCCCCSCCCCCO 62a_100009813337_100000746330 [0,2,0,0,0,0|1,0,1]=4 19350 B14R0.392 N#CCCCCCNCCCCCCO 2230a_100000686447_100009813376 [0,2,0,0,0,0|1,0,1]=4 19351 B14R0.392 N#CCCCCCOCCCCCCBr 7a_100011215345_100009813376 [0,2,0,0,0,0|1,0,1]=4 19352 B14R0.392 N#CCCCCCOCCCCCCCl 7a_100000766143_100009813376 [0,2,0,0,0,0|1,0,1]=4 19353 B14R0.392 N#CCCCCCOCCCCCCF 7a_100000732779_100009813376 [0,2,0,0,0,0|1,0,1]=4 19354 B14R0.392 N#CCCCCCSCCCCCC=O 62a_100000139337_100009813376 [0,2,0,0,0,0|0,0,1]=3 19355 B14R0.392 N#CCCCCCSCCCCCC=O 62a_100009813376_100000139337 [0,2,0,0,0,0|0,0,1]=3 19356 B14R0.392 N#CCCCCCSCCCCCCF 62a_100009813376_100015922095 [0,2,0,0,0,0|1,0,1]=4 19357 B14R0.392 N#CCCCCCSCCCCCCF 62a_100015922095_100009813376 [0,2,0,0,0,0|1,0,1]=4 19358 B14R0.392 N#CCCCCCSCCCCCCO 62a_100000766143_100009813376 [0,2,0,0,0,0|1,0,1]=4 19359 B14R0.392 N#CCCCCCSCCCCCCO 62a_100009813376_100000766143 [0,2,0,0,0,0|1,0,1]=4 19360 B14R0.392 N#CCCCCNCCCCCCCO 2230a_100011996573_100000211819 [0,2,0,0,0,0|1,0,1]=4 19361 B14R0.392 N#CCCCCOCCCCCCCBr 7a_100000760002_100000211819 [0,2,0,0,0,0|1,0,1]=4 19362 B14R0.392 N#CCCCCSCCCCCCCO 62a_100000760002_100000211819 [0,2,0,0,0,0|1,0,1]=4 19363 B14R0.392 N#CCCCCSCCCCCCCO 62a_100011219923_100000760002 [0,2,0,0,0,0|1,0,1]=4 19364 B14R0.392 N#CCCCNCCCCCCCCO 2230a_102515433106_100000687738 [0,2,0,0,0,0|1,0,1]=4 19365 B14R0.392 N#CCCCOCCCCCCCCBr 7a_100009813846_100000687738 [0,2,0,0,0,0|1,0,1]=4 19366 B14R0.392 N#CCCCOCCCCCCCCCl 7a_100000033203_100000687738 [0,2,0,0,0,0|1,0,1]=4 19367 B14R0.392 N#CCCCSCCCCCCCCO 62a_100000033203_100000687738 [0,2,0,0,0,0|1,0,1]=4 19368 B14R0.392 N#CCCCSCCCCCCCCO 62a_100000687738_100000033203 [0,2,0,0,0,0|1,0,1]=4 19369 B14R0.392 N#CCCNCCCCCCCCCO 2230a_100000078944_100011215226 [0,2,0,0,0,0|1,0,1]=4 19370 B14R0.392 N#CCCOCCCCCCCCCBr 7a_100009813782_100000184422 [0,2,0,0,0,0|1,0,1]=4 19371 B14R0.392 N#CCCOCCCCCCCCCCl 7a_100009868337_100000184422 [0,2,0,0,0,0|1,0,1]=4 19372 B14R0.392 N#CCCSCCCCCCCCCO 62a_100009813782_100011215226 [0,2,0,0,0,0|1,0,1]=4 19373 B14R0.392 N#CCCSCCCCCCCCCO 62a_100011215226_100009813782 [0,2,0,0,0,0|1,0,1]=4 19374 B14R0.392 N#CCNCCCCCCCCCCO 2230a_100000066964_100011215382 [0,2,0,0,0,0|1,0,1]=4 19375 B14R0.392 N#CCOCCCCCCCCCCBr 7a_100009813290_100011215382 [0,2,0,0,0,0|1,0,1]=4 19376 B14R0.392 N#CCOCCCCCCCCCCCl 7a_200000033068_100011215382 [0,2,0,0,0,0|1,0,1]=4 19377 B14R0.392 N#CCSCCCCCCCCCCO 62a_100009813290_100011215382 [0,2,0,0,0,0|1,0,1]=4 19378 B14R0.392 N#CCSCCCCCCCCCCO 62a_100011215382_200000033068 [0,2,0,0,0,0|1,0,1]=4 19379 B14R0.392 NCCCCCCCCCCOCC=O 34a_100000066964_200009817547 [0,2,0,0,0,0|0,0,0]=2 19380 B14R0.392 NCCCCCCCCCCOCCF 34a_100000066964_100011217306 [0,2,0,0,0,0|1,0,1]=4 19381 B14R0.392 NCCCCCCCCCCOCCO 34a_100000066964_100000211926 [0,2,0,0,0,0|0,0,2]=4 19382 B14R0.392 NCCCCCCCCCOCCCF 34a_100000078944_100011934791 [0,2,0,0,0,0|1,0,1]=4 19383 B14R0.392 NCCCCCCCCCOCCCO 34a_100000078944_100000230001 [0,2,0,0,0,0|0,0,2]=4 19384 B14R0.392 NCCCCCCCCOCCCCF 34a_102515433106_100000729493 [0,2,0,0,0,0|1,0,1]=4 19385 B14R0.392 NCCCCCCCCOCCCCO 34a_102515433106_100011216708 [0,2,0,0,0,0|0,0,2]=4 19386 B14R0.392 NCCCCCCCOCCCCCF 34a_100011996573_100000729378 [0,2,0,0,0,0|1,0,1]=4 19387 B14R0.392 NCCCCCCCOCCCCCO 34a_100011996573_100000746330 [0,2,0,0,0,0|0,0,2]=4 19388 B14R0.392 NCCCCCCOCCCCCCF 34a_100000686447_100015922095 [0,2,0,0,0,0|1,0,1]=4 19389 B14R0.392 NCCCCCCOCCCCCCO 34a_100000686447_100000766143 [0,2,0,0,0,0|0,0,2]=4 19390 B14R0.392 NCCCCCOCCCCCCCO 34a_100000762737_100000760002 [0,2,0,0,0,0|0,0,2]=4 19391 B14R0.392 NCCCCOCCCCCCCCO 34a_100000750430_100000033203 [0,2,0,0,0,0|0,0,2]=4 19392 B14R0.392 NCCCOCCCCCCCCCO 34a_100000182051_100009813782 [0,2,0,0,0,0|0,0,2]=4 19393 B14R0.392 NCCOCCCCCCCCCCO 34a_100000210304_100009813290 [0,2,0,0,0,0|0,0,2]=4 19394 B14R0.392 NOCCOCCCCCCCCCO 34a_100000700252_100009813782 [0,2,0,0,0,0|2,0,0]=4 19395 B14R0.392 O=CCCCCCNCCCCCCO 2230a_100000686447_100000139337 [0,2,0,0,0,0|0,0,0]=2 19396 B14R0.392 O=CCCCCCOCCCCCCBr 7a_100011215345_100000139337 [0,2,0,0,0,0|0,0,0]=2 19397 B14R0.392 O=CCCCCCOCCCCCCCl 7a_100000766143_100000139337 [0,2,0,0,0,0|0,0,0]=2 19398 B14R0.392 O=CCCCCCOCCCCCCF 7a_100000732779_100000139337 [0,2,0,0,0,0|0,0,0]=2 19399 B14R0.392 O=CCCCCCSCCCCCC=O 62a_100000139337_100000139337 [0,2,0,0,0,0|0,0,1]=3 19400 B14R0.392 O=CCCCCCSCCCCCCF 62a_100000139337_100015922095 [0,2,0,0,0,0|0,0,0]=2 19401 B14R0.392 O=CCCCCCSCCCCCCF 62a_100015922095_100000139337 [0,2,0,0,0,0|0,0,0]=2 19402 B14R0.392 O=CCCCCCSCCCCCCO 62a_100000139337_100000766143 [0,2,0,0,0,0|0,0,0]=2 19403 B14R0.392 O=CCCCCCSCCCCCCO 62a_100000766143_100000139337 [0,2,0,0,0,0|0,0,0]=2 19404 B14R0.392 O=CCCCCNCCCCCCCO 2230a_100011996573_100000139335 [0,2,0,0,0,0|0,0,0]=2 19405 B14R0.392 O=CCCCCNCCCOCCCO 2230a_100011310245_100000139335 [0,2,0,0,0,0|1,0,0]=3 19406 B14R0.392 O=CCCCCOCCCCCCCBr 7a_100000760002_100000139335 [0,2,0,0,0,0|0,0,0]=2 19407 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000139335_100000760002 [0,2,0,0,0,0|0,0,0]=2 19408 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000760002_100000139335 [0,2,0,0,0,0|0,0,0]=2 19409 B14R0.392 O=CCCCNCCCCCCCCO 2230a_102515433106_200011292268 [0,2,0,0,0,0|0,0,0]=2 19410 B14R0.392 O=CCCCNCCOCCOCCO 2230a_100011998139_200011292268 [0,2,0,0,0,0|2,0,0]=4 19411 B14R0.392 O=CCCCOCCCCCCCCBr 7a_100009813846_200011292268 [0,2,0,0,0,0|0,0,0]=2 19412 B14R0.392 O=CCCCOCCCCCCCCCl 7a_100000033203_200011292268 [0,2,0,0,0,0|0,0,0]=2 19413 B14R0.392 O=CCCCOCCOCCOCCBr 7a_100010132937_200011292268 [0,2,0,0,0,0|2,0,0]=4 19414 B14R0.392 O=CCCCOCCOCCOCCCl 7a_100000032323_200011292268 [0,2,0,0,0,0|2,0,0]=4 19415 B14R0.392 O=CCCCSCCCCCCCCO 62a_100000033203_200011292268 [0,2,0,0,0,0|0,0,0]=2 19416 B14R0.392 O=CCCCSCCCCCCCCO 62a_200011292268_100000033203 [0,2,0,0,0,0|0,0,0]=2 19417 B14R0.392 O=CCCCSCCOCCOCCO 62a_100000032323_200011292268 [0,2,0,0,0,0|2,0,0]=4 19418 B14R0.392 O=CCCCSCCOCCOCCO 62a_200011292268_100000032323 [0,2,0,0,0,0|2,0,0]=4 19419 B14R0.392 O=CCNCCCCCCCCCCO 2230a_100000066964_200015260668 [0,2,0,0,0,0|0,0,0]=2 19420 B14R0.392 O=CCNCCCCCCCCCCO 34a_100000066964_200009817547 [0,2,0,0,0,0|0,0,0]=2 19421 B14R0.392 O=CCOCCCCCCCCCCBr 34a_100009813290_200009817547 [0,2,0,0,0,0|0,0,0]=2 19422 B14R0.392 O=CCOCCCCCCCCCCBr 7a_100009813290_200015260668 [0,2,0,0,0,0|0,0,0]=2 19423 B14R0.392 O=CCOCCCCCCCCCCCl 34a_200000033068_200009817547 [0,2,0,0,0,0|0,0,0]=2 19424 B14R0.392 O=CCOCCCCCCCCCCCl 7a_200000033068_200015260668 [0,2,0,0,0,0|0,0,0]=2 19425 B14R0.392 O=CCSCCCCCCCCCCO 62a_100009813290_200015260668 [0,2,0,0,0,0|0,0,0]=2 19426 B14R0.392 O=CCSCCCCCCCCCCO 62a_200015260668_200000033068 [0,2,0,0,0,0|0,0,0]=2 19427 B14R0.392 OCCCCCCCCCCCSCF 62a_100009812471_100015361967 [0,2,0,0,0,0|0,0,2]=4 19428 B14R0.392 OCCCCCCCCCCNCCF 2230a_100000066964_100011217306 [0,2,0,0,0,0|0,0,2]=4 19429 B14R0.392 OCCCCCCCCCCNCCF 34a_100000066964_100011217306 [0,2,0,0,0,0|0,0,2]=4 19430 B14R0.392 OCCCCCCCCCCNCCF 34a_100000724931_100009813290 [0,2,0,0,0,0|0,0,2]=4 19431 B14R0.392 OCCCCCCCCCCNCCO 2230a_100000066964_100000211926 [0,2,0,0,0,0|0,0,2]=4 19432 B14R0.392 OCCCCCCCCCCNCCO 2230a_100016997473_100009813290 [0,2,0,0,0,0|0,0,2]=4 19433 B14R0.392 OCCCCCCCCCCNCCO 34a_100000066964_100000211926 [0,2,0,0,0,0|0,0,2]=4 19434 B14R0.392 OCCCCCCCCCCNCCO 34a_100016990907_100009813290 [0,2,0,0,0,0|0,0,2]=4 19435 B14R0.392 OCCCCCCCCCCOCCBr 34a_100000211926_100009813290 [0,2,0,0,0,0|0,0,2]=4 19436 B14R0.392 OCCCCCCCCCCSCCF 62a_100009813290_100011217306 [0,2,0,0,0,0|0,0,2]=4 19437 B14R0.392 OCCCCCCCCCCSCCF 62a_100011217306_200000033068 [0,2,0,0,0,0|0,0,2]=4 19438 B14R0.392 OCCCCCCCCCCSCCO 62a_100000211926_200000033068 [0,2,0,0,0,0|0,0,2]=4 19439 B14R0.392 OCCCCCCCCCCSCCO 62a_100009813290_100000211926 [0,2,0,0,0,0|0,0,2]=4 19440 B14R0.392 OCCCCCCCCCNCCCF 2230a_100000078944_100011934791 [0,2,0,0,0,0|0,0,2]=4 19441 B14R0.392 OCCCCCCCCCNCCCF 2230a_100015189416_100009813782 [0,2,0,0,0,0|0,0,2]=4 19442 B14R0.392 OCCCCCCCCCNCCCF 34a_100000078944_100011934791 [0,2,0,0,0,0|0,0,2]=4 19443 B14R0.392 OCCCCCCCCCNCCCF 34a_100015189416_100009813782 [0,2,0,0,0,0|0,0,2]=4 19444 B14R0.392 OCCCCCCCCCNCCCO 2230a_100000078944_100000230001 [0,2,0,0,0,0|0,0,2]=4 19445 B14R0.392 OCCCCCCCCCNCCCO 34a_100000078944_100000230001 [0,2,0,0,0,0|0,0,2]=4 19446 B14R0.392 OCCCCCCCCCOCCCBr 34a_100011217188_100009813782 [0,2,0,0,0,0|0,0,2]=4 19447 B14R0.392 OCCCCCCCCCOCCCCl 34a_100000230001_100009813782 [0,2,0,0,0,0|0,0,2]=4 19448 B14R0.392 OCCCCCCCCCOCCCF 34a_100000759539_100009813782 [0,2,0,0,0,0|0,0,2]=4 19449 B14R0.392 OCCCCCCCCCSCCCF 62a_100009813782_100011934791 [0,2,0,0,0,0|0,0,2]=4 19450 B14R0.392 OCCCCCCCCCSCCCF 62a_100011934791_100009813782 [0,2,0,0,0,0|0,0,2]=4 19451 B14R0.392 OCCCCCCCCCSCCCO 62a_100009813782_100011215043 [0,2,0,0,0,0|0,0,2]=4 19452 B14R0.392 OCCCCCCCCCSCCCO 62a_100011215043_100009813782 [0,2,0,0,0,0|0,0,2]=4 19453 B14R0.392 OCCCCCCCCNCCCCF 2230a_102515433106_100000729493 [0,2,0,0,0,0|0,0,2]=4 19454 B14R0.392 OCCCCCCCCNCCCCF 34a_102515433106_100000729493 [0,2,0,0,0,0|0,0,2]=4 19455 B14R0.392 OCCCCCCCCNCCCCO 2230a_100000750430_100000033203 [0,2,0,0,0,0|0,0,2]=4 19456 B14R0.392 OCCCCCCCCNCCCCO 2230a_102515433106_100000210776 [0,2,0,0,0,0|0,0,2]=4 19457 B14R0.392 OCCCCCCCCNCCCCO 34a_100000750430_100000033203 [0,2,0,0,0,0|0,0,2]=4 19458 B14R0.392 OCCCCCCCCNCCCCO 34a_102515433106_100011216708 [0,2,0,0,0,0|0,0,2]=4 19459 B14R0.392 OCCCCCCCCOCCCCBr 34a_100011216708_100000033203 [0,2,0,0,0,0|0,0,2]=4 19460 B14R0.392 OCCCCCCCCOCCCCCl 34a_100000210776_100000033203 [0,2,0,0,0,0|0,0,2]=4 19461 B14R0.392 OCCCCCCCCOCCCCCl 7a_100000210776_100000033203 [0,2,0,0,0,0|0,0,2]=4 19462 B14R0.392 OCCCCCCCCOCCCCF 34a_100011995726_100000033203 [0,2,0,0,0,0|0,0,2]=4 19463 B14R0.392 OCCCCCCCCOCCCCF 7a_100011995726_100000033203 [0,2,0,0,0,0|0,0,2]=4 19464 B14R0.392 OCCCCCCCCOCCCCI 34a_200012148704_100000033203 [0,2,0,0,0,0|0,0,2]=4 19465 B14R0.392 OCCCCCCCCSCCCCF 62a_100000033203_100000729493 [0,2,0,0,0,0|0,0,2]=4 19466 B14R0.392 OCCCCCCCCSCCCCF 62a_100000729493_100000033203 [0,2,0,0,0,0|0,0,2]=4 19467 B14R0.392 OCCCCCCCCSCCCCO 62a_100000033203_100000210776 [0,2,0,0,0,0|0,0,2]=4 19468 B14R0.392 OCCCCCCCCSCCCCO 62a_100000210776_100000033203 [0,2,0,0,0,0|0,0,2]=4 19469 B14R0.392 OCCCCCCCNCCCCCF 2230a_100011996573_100000729378 [0,2,0,0,0,0|0,0,2]=4 19470 B14R0.392 OCCCCCCCNCCCCCF 34a_100011996573_100000729378 [0,2,0,0,0,0|0,0,2]=4 19471 B14R0.392 OCCCCCCCNCCCCCO 2230a_100000762737_100000760002 [0,2,0,0,0,0|0,0,2]=4 19472 B14R0.392 OCCCCCCCNCCCCCO 2230a_100011996573_100000746330 [0,2,0,0,0,0|0,0,2]=4 19473 B14R0.392 OCCCCCCCNCCCCCO 34a_100000762737_100000760002 [0,2,0,0,0,0|0,0,2]=4 19474 B14R0.392 OCCCCCCCNCCCCCO 34a_100011996573_100000746330 [0,2,0,0,0,0|0,0,2]=4 19475 B14R0.392 OCCCCCCCOCCCCCBr 34a_100000746331_100000760002 [0,2,0,0,0,0|0,0,2]=4 19476 B14R0.392 OCCCCCCCOCCCCCBr 7a_100000746331_100000760002 [0,2,0,0,0,0|0,0,2]=4 19477 B14R0.392 OCCCCCCCOCCCCCCl 34a_100000746330_100000760002 [0,2,0,0,0,0|0,0,2]=4 19478 B14R0.392 OCCCCCCCOCCCCCCl 7a_100000746330_100000760002 [0,2,0,0,0,0|0,0,2]=4 19479 B14R0.392 OCCCCCCCOCCCCCI 34a_200012148887_100000760002 [0,2,0,0,0,0|0,0,2]=4 19480 B14R0.392 OCCCCCCCOCCCCCI 7a_200012148887_100000760002 [0,2,0,0,0,0|0,0,2]=4 19481 B14R0.392 OCCCCCCCSCCCCCF 62a_100000729378_100000760002 [0,2,0,0,0,0|0,0,2]=4 19482 B14R0.392 OCCCCCCCSCCCCCF 62a_100000760002_100000729378 [0,2,0,0,0,0|0,0,2]=4 19483 B14R0.392 OCCCCCCCSCCCCCO 62a_100000746330_100000760002 [0,2,0,0,0,0|0,0,2]=4 19484 B14R0.392 OCCCCCCCSCCCCCO 62a_100000760002_100000746330 [0,2,0,0,0,0|0,0,2]=4 19485 B14R0.392 OCCCCCCNCCCCCCF 2230a_100000686447_100015922095 [0,2,0,0,0,0|0,0,2]=4 19486 B14R0.392 OCCCCCCNCCCCCCF 34a_100000686447_100015922095 [0,2,0,0,0,0|0,0,2]=4 19487 B14R0.392 OCCCCCCNCCCCCCO 2230a_100000686447_100000766143 [0,2,0,0,0,0|0,0,2]=4 19488 B14R0.392 OCCCCCCNCCCCCCO 34a_100000686447_100000766143 [0,2,0,0,0,0|0,0,2]=4 19489 B14R0.392 OCCCCCCOCCCCCCBr 34a_100011215345_100000766143 [0,2,0,0,0,0|0,0,2]=4 19490 B14R0.392 OCCCCCCOCCCCCCBr 7a_100011215345_100000766143 [0,2,0,0,0,0|0,0,2]=4 19491 B14R0.392 OCCCCCCOCCCCCCCl 34a_100000766143_100000766143 [0,2,0,0,0,0|0,0,2]=4 19492 B14R0.392 OCCCCCCOCCCCCCCl 7a_100000766143_100000766143 [0,2,0,0,0,0|0,0,2]=4 19493 B14R0.392 OCCCCCCOCCCCCCF 34a_100000732779_100000766143 [0,2,0,0,0,0|0,0,2]=4 19494 B14R0.392 OCCCCCCOCCCCCCF 7a_100000732779_100000766143 [0,2,0,0,0,0|0,0,2]=4 19495 B14R0.392 OCCCCCCSCCCCCCF 62a_100000766143_100015922095 [0,2,0,0,0,0|0,0,2]=4 19496 B14R0.392 OCCCCCCSCCCCCCF 62a_100015922095_100000766143 [0,2,0,0,0,0|0,0,2]=4 19497 B14R0.392 OCCCCCCSCCCCCCO 62a_100000766143_100000766143 [0,2,0,0,0,0|0,0,2]=4 19498 B14R0.392 OCCCCCOCCCCCCCBr 34a_100000760002_100000746330 [0,2,0,0,0,0|0,0,2]=4 19499 B14R0.392 OCCCCCOCCCCCCCBr 7a_100000760002_100000746330 [0,2,0,0,0,0|0,0,2]=4 19500 B14R0.392 OCCCCOCCCCCCCCBr 34a_100009813846_100011216708 [0,2,0,0,0,0|0,0,2]=4 19501 B14R0.392 OCCCCOCCCCCCCCBr 7a_100009813846_100000210776 [0,2,0,0,0,0|0,0,2]=4 19502 B14R0.392 OCCCCOCCCCCCCCCl 34a_100000033203_100011216708 [0,2,0,0,0,0|0,0,2]=4 19503 B14R0.392 OCCCCOCCCCCCCCCl 7a_100000033203_100000210776 [0,2,0,0,0,0|0,0,2]=4 19504 B14R0.392 OCCCOCCCCCCCCCBr 34a_100009813782_100000230001 [0,2,0,0,0,0|0,0,2]=4 19505 B14R0.392 OCCCOCCCCCCCCCBr 7a_100009813782_100011215043 [0,2,0,0,0,0|0,0,2]=4 19506 B14R0.392 OCCCOCCCCCCCCCCl 34a_100009868337_100000230001 [0,2,0,0,0,0|0,0,2]=4 19507 B14R0.392 OCCCOCCCCCCCCCCl 7a_100009868337_100011215043 [0,2,0,0,0,0|0,0,2]=4 19508 B14R0.392 OCCOCCCCCCCCCCBr 34a_100009813290_100000211926 [0,2,0,0,0,0|0,0,2]=4 19509 B14R0.392 OCCOCCCCCCCCCCBr 7a_100009813290_100000211926 [0,2,0,0,0,0|0,0,2]=4 19510 B14R0.392 OCCOCCCCCCCCCCCl 34a_200000033068_100000211926 [0,2,0,0,0,0|0,0,2]=4 19511 B14R0.392 OCCOCCCCCCCCCCCl 7a_200000033068_100000211926 [0,2,0,0,0,0|0,0,2]=4 19512 B14R0.392 [13CH3]NCCCCCCCCCCCCO 2230a_100000066677_200025704644 [0,2,0,0,0,0|0,0,2]=4 19513 B14R0.392 [13CH3]NCCCCCCCCCCCCO 34a_100000066677_200025704644 [0,2,0,0,0,0|0,0,2]=4 19514 B14R0.392 [13CH3]OCCCCCCCCCCCCBr 34a_100009813331_200025704644 [0,2,0,0,0,0|0,0,2]=4 19515 B14R0.392 [13CH3]OCCCCCCCCCCCCBr 7a_100009813331_200025704644 [0,2,0,0,0,0|0,0,2]=4 19516 B14R0.392 [13CH3]OCCCCCCCCCCCCN 34a_100000066677_200025704644 [0,2,0,0,0,0|0,0,2]=4 19517 B14R0.392 [13CH3]OCCCCCOCCCCCCCl 34a_200132310570_200025704644 [0,2,0,0,0,0|1,0,1]=4 19518 B14R0.392 [13CH3]OCCCCCOCCCCCCCl 7a_200132310570_200025704644 [0,2,0,0,0,0|1,0,1]=4 19519 B14R0.392 [13CH3]SCCCCCCCCCCCCO 62a_100009813331_200025704644 [0,2,0,0,0,0|0,0,2]=4 19520 B14R0.392 [13CH3]SCCCCCCOCCCCCO 62a_200025704644_200132310570 [0,2,0,0,0,0|0,0,2]=4 19521 B14R0.392 [13CH3]SCCCCCCOCCCCCO 62a_200132310570_200025704644 [0,2,0,0,0,0|0,0,2]=4 19522 B14R0.392 [N-]=[N+]=NCCCCCCNCCCC=O 2230a_200000049180_200011292268 [0,2,0,0,0,0|2,0,0]=4 19523 B14R0.392 [N-]=[N+]=NCCCCNCCCCCC=O 2230a_100000101370_100000139337 [0,2,0,0,0,0|2,0,0]=4 19524 B14R0.86 C#CC(CCCCC)OCCCCC=C 34a_100011216489_100011215482 [0,2,0,0,0,0|2,0,0]=4 19525 B14R0.86 C#CC(CCCCC)OCCCCC=C 7a_100011216489_100011215482 [0,2,0,0,0,0|2,0,0]=4 19526 B14R0.86 C#CC(CCCCC)OCCCCC=O 7a_100011216489_100000139335 [0,2,0,0,0,0|1,0,0]=3 19527 B14R0.86 C=CC(CCCCC)OCCCCC=O 7a_100011216863_100000139335 [0,2,0,0,0,0|1,0,0]=3 19528 B14R0.86 C=CCCCCNC(CC)CCCCC 270004a_100000703577_100011215316 [0,2,0,0,0,0|2,0,0]=4 19529 B14R0.86 C=CCCCCOC(C=C)CCCCC 34a_100011216863_100011215482 [0,2,0,0,0,0|2,0,0]=4 19530 B14R0.86 C=CCCCCOC(C=C)CCCCC 7a_100011216863_100011215482 [0,2,0,0,0,0|2,0,0]=4 19531 B14R0.86 C=CCCCCOC(CC)CCCCC 34a_100011215405_100011215482 [0,2,0,0,0,0|2,0,0]=4 19532 B14R0.86 C=CCCCCOC(CC)CCCCC 7a_100011215405_100011215482 [0,2,0,0,0,0|2,0,0]=4 19533 B14R0.86 C=CCCCN(CC)CCCCCCC 2230a_100000228213_100011713584 [0,2,0,0,0,0|2,0,0]=4 19534 B14R0.86 C=CCCCN(CC)CCCCCCC 269982a_100000228213_100000757094 [0,2,0,0,0,0|2,0,0]=4 19535 B14R0.86 C=CCCNC(CC)CCCCCCC 270004a_100015191253_200011217162 [0,2,0,0,0,0|2,0,0]=4 19536 B14R0.86 C=CCCOC(C=C)CCCCCCC 34a_200011934235_100000754431 [0,2,0,0,0,0|2,0,0]=4 19537 B14R0.86 C=CCCOC(C=C)CCCCCCC 7a_200011934235_100000754431 [0,2,0,0,0,0|2,0,0]=4 19538 B14R0.86 C=CCCOC(CC)CCCCCCC 34a_200011217053_100000754431 [0,2,0,0,0,0|2,0,0]=4 19539 B14R0.86 C=CCCOC(CC)CCCCCCC 7a_200011217053_100000754431 [0,2,0,0,0,0|2,0,0]=4 19540 B14R0.86 CCCCCC(CC)OCCCCC=O 7a_100011215405_100000139335 [0,2,0,0,0,0|1,0,0]=3 19541 B14R0.86 CCCCCCCN(CC)CCCC=O 2230a_100000228213_200011292268 [0,2,0,0,0,0|1,0,0]=3 19542 B14R0.86 CCCCCCCN(CC)CCCC=O 269982a_100000228213_200011292268 [0,2,0,0,0,0|1,0,0]=3 19543 B14R0.86 CCN(CCCCO)CCCCCC=O 2230a_100011217355_100000139337 [0,2,0,0,0,0|2,0,0]=4 19544 B14R0.86 CCN(CCCCO)CCCCCC=O 269982a_100011217355_100000139337 [0,2,0,0,0,0|2,0,0]=4 19545 B14R0.1041 C=CCCOC(C)(C)CCCCCCC 34a_100011205117_200000046972 [0,2,0,0,0,0|2,0,0]=4 19546 B14R0.1041 C=CCCSC(C)(C)CCCCCCC 62a_100000754431_200000046972 [0,2,0,0,0,0|2,0,0]=4 19547 B14R0.1041 C=CCCSC(C)(C)CCCCCCC 62a_200000046972_100000754431 [0,2,0,0,0,0|2,0,0]=4 19548 B12R1.8 BrCCCCOC1CCCCC1 34a_100011216708_100000210327 [1,0,0,1,0,0|2,0,0]=4 19549 B12R1.8 BrCCCOCC1CCCCC1 34a_100011217188_100000211423 [1,0,0,1,0,0|2,0,0]=4 19550 B12R1.8 BrCCOCCC1CCCCC1 34a_100000211926_100011209188 [1,0,0,1,0,0|2,0,0]=4 19551 B12R1.8 C=CCCCNC1CCCCC1 2230a_100000182618_100011713584 [1,0,0,1,0,0|1,0,1]=4 19552 B12R1.8 C=CCCCNC1CCCCC1 270004a_100000700776_100000210434 [1,0,0,1,0,0|1,0,1]=4 19553 B12R1.8 C=CCCCNC1CCCCC1 34a_100000182618_100000757094 [1,0,0,1,0,0|1,0,1]=4 19554 B12R1.8 C=CCCCNC1CCCCC1 34a_100000700776_100000210327 [1,0,0,1,0,0|1,0,1]=4 19555 B12R1.8 C=CCCCOC1CCCCC1 34a_100000210231_100000757094 [1,0,0,1,0,0|1,0,1]=4 19556 B12R1.8 C=CCCCOC1CCCCC1 34a_100000758997_100000210327 [1,0,0,1,0,0|1,0,1]=4 19557 B12R1.8 C=CCCCOC1CCCCC1 7a_100000210231_100000757094 [1,0,0,1,0,0|1,0,1]=4 19558 B12R1.8 C=CCCCOC1CCCCC1 7a_100000758997_100000210327 [1,0,0,1,0,0|1,0,1]=4 19559 B12R1.8 C=CCCCSC1CCCCC1 62a_100000210327_100000757094 [1,0,0,1,0,0|1,0,1]=4 19560 B12R1.8 C=CCCCSC1CCCCC1 62a_100011713584_100000210327 [1,0,0,1,0,0|1,0,1]=4 19561 B12R1.8 C=CCCNCC1CCCCC1 2230a_100000210473_100000754431 [1,0,0,1,0,0|1,0,1]=4 19562 B12R1.8 C=CCCNCC1CCCCC1 2230a_100015191253_100000211423 [1,0,0,1,0,0|1,0,1]=4 19563 B12R1.8 C=CCCNCC1CCCCC1 269862a_100015191253_100000211278 [1,0,0,1,0,0|1,0,1]=4 19564 B12R1.8 C=CCCNCC1CCCCC1 34a_100000210473_100000754431 [1,0,0,1,0,0|1,0,1]=4 19565 B12R1.8 C=CCCOCC1CCCCC1 34a_100000212181_100000754431 [1,0,0,1,0,0|1,0,1]=4 19566 B12R1.8 C=CCCOCC1CCCCC1 34a_100011205117_100000211423 [1,0,0,1,0,0|1,0,1]=4 19567 B12R1.8 C=CCCOCC1CCCCC1 7a_100000212181_100000754431 [1,0,0,1,0,0|1,0,1]=4 19568 B12R1.8 C=CCCSCC1CCCCC1 62a_100000211423_100000754431 [1,0,0,1,0,0|1,0,1]=4 19569 B12R1.8 C=CCCSCC1CCCCC1 62a_100000754431_100000211423 [1,0,0,1,0,0|1,0,1]=4 19570 B12R1.8 C=CCNCCC1CCCCC1 2230a_100000738074_100000210623 [1,0,0,1,0,0|1,0,1]=4 19571 B12R1.8 C=CCNCCC1CCCCC1 2230a_100020586998_100012355289 [1,0,0,1,0,0|1,0,1]=4 19572 B12R1.8 C=CCNCCC1CCCCC1 270004a_100020586998_100011713444 [1,0,0,1,0,0|1,0,1]=4 19573 B12R1.8 C=CCNCCC1CCCCC1 34a_100000738074_100015514636 [1,0,0,1,0,0|1,0,1]=4 19574 B12R1.8 C=CCOCCC1CCCCC1 34a_100011217863_100015514636 [1,0,0,1,0,0|1,0,1]=4 19575 B12R1.8 C=CCOCCC1CCCCC1 34a_200000210373_100011209188 [1,0,0,1,0,0|1,0,1]=4 19576 B12R1.8 C=CCOCCC1CCCCC1 7a_100011217863_100015514636 [1,0,0,1,0,0|1,0,1]=4 19577 B12R1.8 C=CCSCCC1CCCCC1 62a_100000210623_100012355289 [1,0,0,1,0,0|1,0,1]=4 19578 B12R1.8 C=CCSCCC1CCCCC1 62a_100012355289_100000210623 [1,0,0,1,0,0|1,0,1]=4 19579 B12R1.8 CCCCCNC1C=CCCC1 2230a_100000209983_100000751183 [1,0,0,1,0,0|1,0,1]=4 19580 B12R1.8 CCCCCNC1CCCCC1 2230a_100000182618_100000210326 [1,0,0,1,0,0|1,0,1]=4 19581 B12R1.8 CCCCCNC1CCCCC1 270004a_100000209983_100000210434 [1,0,0,1,0,0|1,0,1]=4 19582 B12R1.8 CCCCCNC1CCCCC1 34a_100000182618_100000718602 [1,0,0,1,0,0|1,0,1]=4 19583 B12R1.8 CCCCCOC1C=CCCC1 34a_100011215024_100000718602 [1,0,0,1,0,0|1,0,1]=4 19584 B12R1.8 CCCCCOC1C=CCCC1 7a_100000210253_100000751183 [1,0,0,1,0,0|1,0,1]=4 19585 B12R1.8 CCCCCOC1CCCCC1 34a_100000210231_100000718602 [1,0,0,1,0,0|1,0,1]=4 19586 B12R1.8 CCCCCOC1CCCCC1 34a_100000210253_100000210327 [1,0,0,1,0,0|1,0,1]=4 19587 B12R1.8 CCCCCOC1CCCCC1 7a_100000210231_100000210326 [1,0,0,1,0,0|1,0,1]=4 19588 B12R1.8 CCCCCOC1CCCCC1 7a_100000210253_100000210327 [1,0,0,1,0,0|1,0,1]=4 19589 B12R1.8 CCCCCOC1CCCCO1 34a_100000033831_100000718602 [1,0,0,1,0,0|1,0,1]=4 19590 B12R1.8 CCCCCSC1C=CCCC1 62a_100000210326_100000751183 [1,0,0,1,0,0|1,0,1]=4 19591 B12R1.8 CCCCCSC1C=CCCC1 62a_100000751183_100000210326 [1,0,0,1,0,0|1,0,1]=4 19592 B12R1.8 CCCCCSC1CCCCC1 62a_100000210326_100000210327 [1,0,0,1,0,0|1,0,1]=4 19593 B12R1.8 CCCCCSC1CCCCC1 62a_100000210327_100000210326 [1,0,0,1,0,0|1,0,1]=4 19594 B12R1.8 CCCCNCC1CCCCC1 2230a_100000102301_100000211423 [1,0,0,1,0,0|1,0,1]=4 19595 B12R1.8 CCCCNCC1CCCCC1 2230a_100000210473_100000210211 [1,0,0,1,0,0|1,0,1]=4 19596 B12R1.8 CCCCNCC1CCCCC1 269862a_100000102301_100000211278 [1,0,0,1,0,0|1,0,1]=4 19597 B12R1.8 CCCCNCC1CCCCC1 34a_100000210473_100000210210 [1,0,0,1,0,0|1,0,1]=4 19598 B12R1.8 CCCCNCC1CCCCC1 7a_106832991798_100000211423 [1,0,0,1,0,0|1,0,1]=4 19599 B12R1.8 CCCCNCC1CCCCO1 2230a_100000102301_100000211543 [1,0,0,1,0,0|1,0,1]=4 19600 B12R1.8 CCCCNCC1CCCCO1 2230a_100000174945_100000210211 [1,0,0,1,0,0|1,0,1]=4 19601 B12R1.8 CCCCNCC1CCCCO1 34a_100000174945_100000210210 [1,0,0,1,0,0|1,0,1]=4 19602 B12R1.8 CCCCNCC1CCCCO1 7a_106832991798_100000211543 [1,0,0,1,0,0|1,0,1]=4 19603 B12R1.8 CCCCOCC1CCCCC1 34a_100000210227_100000211423 [1,0,0,1,0,0|1,0,1]=4 19604 B12R1.8 CCCCOCC1CCCCC1 34a_100000212181_100000210210 [1,0,0,1,0,0|1,0,1]=4 19605 B12R1.8 CCCCOCC1CCCCC1 7a_100000210227_100000211423 [1,0,0,1,0,0|1,0,1]=4 19606 B12R1.8 CCCCOCC1CCCCC1 7a_100000212181_100000210211 [1,0,0,1,0,0|1,0,1]=4 19607 B12R1.8 CCCCOCC1CCCCN1 34a_100000210821_100000210210 [1,0,0,1,0,0|2,0,0]=4 19608 B12R1.8 CCCCOCC1CCCCO1 34a_100000210227_100000211543 [1,0,0,1,0,0|1,0,1]=4 19609 B12R1.8 CCCCOCC1CCCCO1 34a_100000211370_100000210210 [1,0,0,1,0,0|1,0,1]=4 19610 B12R1.8 CCCCOCC1CCCCO1 7a_100000210227_100000211543 [1,0,0,1,0,0|1,0,1]=4 19611 B12R1.8 CCCCOCC1CCCCO1 7a_100000211370_100000210211 [1,0,0,1,0,0|1,0,1]=4 19612 B12R1.8 CCCCSCC1CCCCC1 62a_100000210211_100000211423 [1,0,0,1,0,0|1,0,1]=4 19613 B12R1.8 CCCCSCC1CCCCC1 62a_100000211423_100000210210 [1,0,0,1,0,0|1,0,1]=4 19614 B12R1.8 CCCCSCC1CCCCO1 62a_100000210211_100000211543 [1,0,0,1,0,0|1,0,1]=4 19615 B12R1.8 CCCCSCC1CCCCO1 62a_100000211543_100000210210 [1,0,0,1,0,0|1,0,1]=4 19616 B12R1.8 CCCNCCC1=CCCCC1 2230a_100000212019_100000210303 [1,0,0,1,0,0|1,0,1]=4 19617 B12R1.8 CCCNCCC1=CCCCC1 34a_100000212019_100000210303 [1,0,0,1,0,0|1,0,1]=4 19618 B12R1.8 CCCNCCC1CCCCC1 2230a_100000738074_100000210303 [1,0,0,1,0,0|1,0,1]=4 19619 B12R1.8 CCCNCCC1CCCCC1 270004a_100020643023_100011713444 [1,0,0,1,0,0|1,0,1]=4 19620 B12R1.8 CCCNCCC1CCCCC1 34a_100000738074_100000210303 [1,0,0,1,0,0|1,0,1]=4 19621 B12R1.8 CCCNCCC1CCCCO1 2230a_100015183643_100000210303 [1,0,0,1,0,0|1,0,1]=4 19622 B12R1.8 CCCNCCC1CCCCO1 34a_100015183643_100000210303 [1,0,0,1,0,0|1,0,1]=4 19623 B12R1.8 CCCOCCC1CCCCC1 34a_100000210258_100011209188 [1,0,0,1,0,0|1,0,1]=4 19624 B12R1.8 CCCOCCC1CCCCC1 34a_100011217863_100000210303 [1,0,0,1,0,0|1,0,1]=4 19625 B12R1.8 CCCOCCC1CCCCC1 7a_100011217863_100000210303 [1,0,0,1,0,0|1,0,1]=4 19626 B12R1.8 CCCOCCC1CCCCN1 34a_100000211664_100000210303 [1,0,0,1,0,0|2,0,0]=4 19627 B12R1.8 CCCSCCC1CCCCC1 62a_100000210303_100012355289 [1,0,0,1,0,0|1,0,1]=4 19628 B12R1.8 CCCSCCC1CCCCC1 62a_100012355289_100000210303 [1,0,0,1,0,0|1,0,1]=4 19629 B12R1.8 CCNCCCC1CCCCC1 2230a_100011211642_100000210202 [1,0,0,1,0,0|1,0,1]=4 19630 B12R1.8 CCNCCCC1CCCCC1 2230a_100015525214_100011713725 [1,0,0,1,0,0|1,0,1]=4 19631 B12R1.8 CCNCCCC1CCCCC1 34a_100011211642_100000210202 [1,0,0,1,0,0|1,0,1]=4 19632 B12R1.8 CCOCCCC1CCCCC1 34a_100000198086_100000210202 [1,0,0,1,0,0|1,0,1]=4 19633 B12R1.8 CCOCCCC1CCCCC1 34a_100121572206_100011713725 [1,0,0,1,0,0|1,0,1]=4 19634 B12R1.8 CCOCCCC1CCCCC1 7a_100000198086_100000210202 [1,0,0,1,0,0|1,0,1]=4 19635 B12R1.8 CCOCCCC1CCCCN1 34a_100011934581_100000210202 [1,0,0,1,0,0|2,0,0]=4 19636 B12R1.8 CCSCCCC1CCCCC1 62a_100000210202_100011713725 [1,0,0,1,0,0|1,0,1]=4 19637 B12R1.8 CCSCCCC1CCCCC1 62a_100011713725_100000210202 [1,0,0,1,0,0|1,0,1]=4 19638 B12R1.8 COCCCCC1CCCCC1 34a_100011215267_200000210301 [1,0,0,1,0,0|1,0,1]=4 19639 B12R1.8 COCCCCC1CCCCC1 7a_100011215267_200000210301 [1,0,0,1,0,0|1,0,1]=4 19640 B12R1.8 ClCCCCOC1CCCCC1 34a_100000210776_100000210327 [1,0,0,1,0,0|2,0,0]=4 19641 B12R1.8 ClCCCCOC1CCCCC1 7a_100000210776_100000210327 [1,0,0,1,0,0|2,0,0]=4 19642 B12R1.8 ClCCCOCC1CCCCC1 34a_100000230001_100000211423 [1,0,0,1,0,0|2,0,0]=4 19643 B12R1.8 FCCCCNC1CCCCC1 2230a_100000182618_100000729493 [1,0,0,1,0,0|2,0,0]=4 19644 B12R1.8 FCCCCNC1CCCCC1 34a_100000182618_100000729493 [1,0,0,1,0,0|2,0,0]=4 19645 B12R1.8 FCCCCOC1CCCCC1 34a_100000210231_100000729493 [1,0,0,1,0,0|2,0,0]=4 19646 B12R1.8 FCCCCOC1CCCCC1 34a_100011995726_100000210327 [1,0,0,1,0,0|2,0,0]=4 19647 B12R1.8 FCCCCOC1CCCCC1 7a_100000210231_100000729493 [1,0,0,1,0,0|2,0,0]=4 19648 B12R1.8 FCCCCOC1CCCCC1 7a_100011995726_100000210327 [1,0,0,1,0,0|2,0,0]=4 19649 B12R1.8 FCCCCSC1CCCCC1 62a_100000210327_100000729493 [1,0,0,1,0,0|2,0,0]=4 19650 B12R1.8 FCCCCSC1CCCCC1 62a_100000729493_100000210327 [1,0,0,1,0,0|2,0,0]=4 19651 B12R1.8 FCCCNCC1CCCCC1 2230a_100000210473_100011934791 [1,0,0,1,0,0|2,0,0]=4 19652 B12R1.8 FCCCNCC1CCCCC1 2230a_100015189416_100000211423 [1,0,0,1,0,0|2,0,0]=4 19653 B12R1.8 FCCCNCC1CCCCC1 269862a_100015189416_100000211278 [1,0,0,1,0,0|2,0,0]=4 19654 B12R1.8 FCCCNCC1CCCCC1 34a_100000210473_100011934791 [1,0,0,1,0,0|2,0,0]=4 19655 B12R1.8 FCCCNCC1CCCCC1 34a_100015189416_100000211423 [1,0,0,1,0,0|2,0,0]=4 19656 B12R1.8 FCCCOCC1CCCCC1 34a_100000212181_100011934791 [1,0,0,1,0,0|2,0,0]=4 19657 B12R1.8 FCCCOCC1CCCCC1 34a_100000759539_100000211423 [1,0,0,1,0,0|2,0,0]=4 19658 B12R1.8 FCCCOCC1CCCCC1 7a_100000212181_100011934791 [1,0,0,1,0,0|2,0,0]=4 19659 B12R1.8 FCCCSCC1CCCCC1 62a_100000211423_100011934791 [1,0,0,1,0,0|2,0,0]=4 19660 B12R1.8 FCCCSCC1CCCCC1 62a_100011934791_100000211423 [1,0,0,1,0,0|2,0,0]=4 19661 B12R1.8 FCCNCCC1CCCCC1 2230a_100000738074_100011217306 [1,0,0,1,0,0|2,0,0]=4 19662 B12R1.8 FCCNCCC1CCCCC1 34a_100000724931_100011209188 [1,0,0,1,0,0|2,0,0]=4 19663 B12R1.8 FCCNCCC1CCCCC1 34a_100000738074_100011217306 [1,0,0,1,0,0|2,0,0]=4 19664 B12R1.8 FCCOCCC1CCCCC1 34a_100011217863_100011217306 [1,0,0,1,0,0|2,0,0]=4 19665 B12R1.8 FCCOCCC1CCCCC1 7a_100011217863_100011217306 [1,0,0,1,0,0|2,0,0]=4 19666 B12R1.8 FCCSCCC1CCCCC1 62a_100011217306_100012355289 [1,0,0,1,0,0|2,0,0]=4 19667 B12R1.8 FCCSCCC1CCCCC1 62a_100012355289_100011217306 [1,0,0,1,0,0|2,0,0]=4 19668 B12R1.8 FCNCCCC1CCCCC1 34a_100011211642_100015361967 [1,0,0,1,0,0|2,0,0]=4 19669 B12R1.8 FCOCCCC1CCCCC1 34a_100000198086_100015361967 [1,0,0,1,0,0|2,0,0]=4 19670 B12R1.8 FCOCCCC1CCCCC1 7a_100000198086_100015361967 [1,0,0,1,0,0|2,0,0]=4 19671 B12R1.8 FCSCCCC1CCCCC1 62a_100011713725_100015361967 [1,0,0,1,0,0|2,0,0]=4 19672 B12R1.8 FCSCCCC1CCCCC1 62a_100015361967_100011713725 [1,0,0,1,0,0|2,0,0]=4 19673 B12R1.8 ICCCCOC1CCCCC1 34a_200012148704_100000210327 [1,0,0,1,0,0|2,0,0]=4 19674 B12R1.8 NCCCCOC1CCCCC1 34a_100000750430_100000210327 [1,0,0,1,0,0|2,0,0]=4 19675 B12R1.8 NCCCOCC1CCCCC1 34a_100000182051_100000211423 [1,0,0,1,0,0|2,0,0]=4 19676 B12R1.8 NCCOCCC1CCCCC1 34a_100000210304_100011209188 [1,0,0,1,0,0|2,0,0]=4 19677 B12R1.8 O=CCCCCN1CCCOC1 2230a_100000131196_100000139335 [1,0,0,1,0,0|2,0,0]=4 19678 B12R1.8 O=CCCCCN1CCCOC1 269982a_100000131196_100000139335 [1,0,0,1,0,0|2,0,0]=4 19679 B12R1.8 O=CCCCCN1CCOCC1 2230a_100015191051_100000139335 [1,0,0,1,0,0|2,0,0]=4 19680 B12R1.8 O=CCCCCN1CCOCC1 269982a_100015191051_100000139335 [1,0,0,1,0,0|2,0,0]=4 19681 B12R1.8 O=CCCCCN1CCSCC1 2230a_100000737611_100000139335 [1,0,0,1,0,0|2,0,0]=4 19682 B12R1.8 O=CCCCCN1CCSCC1 269982a_100000737611_100000139335 [1,0,0,1,0,0|2,0,0]=4 19683 B12R1.8 O=CCCCNC1CCCCC1 2230a_100000182618_200011292268 [1,0,0,1,0,0|1,0,0]=3 19684 B12R1.8 O=CCCCNC1CCCOC1 2230a_100000719290_200011292268 [1,0,0,1,0,0|2,0,0]=4 19685 B12R1.8 O=CCCCNC1CCOCC1 2230a_100000741149_200011292268 [1,0,0,1,0,0|2,0,0]=4 19686 B12R1.8 O=CCCCNC1CCSCC1 2230a_100000748639_200011292268 [1,0,0,1,0,0|2,0,0]=4 19687 B12R1.8 O=CCCCOC1CCCCC1 7a_100000210231_200011292268 [1,0,0,1,0,0|1,0,0]=3 19688 B12R1.8 O=CCCCOC1CCCSC1 7a_100015962668_200011292268 [1,0,0,1,0,0|2,0,0]=4 19689 B12R1.8 O=CCCCOC1CCSCC1 7a_100000731022_200011292268 [1,0,0,1,0,0|2,0,0]=4 19690 B12R1.8 O=CCCCSC1CCCCC1 62a_100000210327_200011292268 [1,0,0,1,0,0|1,0,0]=3 19691 B12R1.8 O=CCCCSC1CCCCC1 62a_200011292268_100000210327 [1,0,0,1,0,0|1,0,0]=3 19692 B12R1.8 O=CCCCSC1CCCOC1 62a_200011292268_100000693364 [1,0,0,1,0,0|2,0,0]=4 19693 B12R1.8 O=CCCCSC1CCOCC1 62a_200011292268_100011324220 [1,0,0,1,0,0|2,0,0]=4 19694 B12R1.8 O=CCCCSC1CCSCC1 62a_200011292268_100000069128 [1,0,0,1,0,0|2,0,0]=4 19695 B12R1.8 O=CCNCCC1CCCCC1 2230a_100000738074_200015260668 [1,0,0,1,0,0|1,0,0]=3 19696 B12R1.8 O=CCNCCC1CCCCC1 34a_100000738074_200009817547 [1,0,0,1,0,0|1,0,0]=3 19697 B12R1.8 O=CCNCCC1CCCCO1 2230a_100015183643_200015260668 [1,0,0,1,0,0|2,0,0]=4 19698 B12R1.8 O=CCNCCC1CCCCO1 34a_100015183643_200009817547 [1,0,0,1,0,0|2,0,0]=4 19699 B12R1.8 O=CCNCCC1CCOCC1 2230a_100000755988_200015260668 [1,0,0,1,0,0|2,0,0]=4 19700 B12R1.8 O=CCNCCC1CCOCC1 34a_100000755988_200009817547 [1,0,0,1,0,0|2,0,0]=4 19701 B12R1.8 O=CCOCCC1CCCCC1 34a_100011217863_200009817547 [1,0,0,1,0,0|1,0,0]=3 19702 B12R1.8 O=CCOCCC1CCCCC1 7a_100011217863_200015260668 [1,0,0,1,0,0|1,0,0]=3 19703 B12R1.8 O=CCOCCC1CCCCN1 34a_100000211664_200009817547 [1,0,0,1,0,0|2,0,0]=4 19704 B12R1.8 O=CCOCCC1CCCNC1 34a_100000752241_200009817547 [1,0,0,1,0,0|2,0,0]=4 19705 B12R1.8 O=CCOCCC1CCNCC1 34a_100015190746_200009817547 [1,0,0,1,0,0|2,0,0]=4 19706 B12R1.8 O=CCOCCC1CCOCC1 34a_100011933979_200009817547 [1,0,0,1,0,0|2,0,0]=4 19707 B12R1.8 O=CCOCCC1CCOCC1 7a_100011933979_200015260668 [1,0,0,1,0,0|2,0,0]=4 19708 B12R1.8 O=CCSCCC1CCCCC1 62a_100012355289_200015260668 [1,0,0,1,0,0|1,0,0]=3 19709 B12R1.8 O=CCSCCC1CCCCC1 62a_200015260668_100012355289 [1,0,0,1,0,0|1,0,0]=3 19710 B12R1.8 O=CCSCCC1CCOCC1 62a_100011934994_200015260668 [1,0,0,1,0,0|2,0,0]=4 19711 B12R1.8 O=CCSCCC1CCOCC1 62a_200015260668_100011934994 [1,0,0,1,0,0|2,0,0]=4 19712 B12R1.8 O=CCSCCN1CCCCC1 62a_100000739454_200015260668 [1,0,0,1,0,0|2,0,0]=4 19713 B12R1.8 O=CCSCCN1CCCCC1 62a_200015260668_100000739454 [1,0,0,1,0,0|2,0,0]=4 19714 B12R1.8 O=CCSCOC1CCCCC1 62a_100011935260_200015260668 [1,0,0,1,0,0|2,0,0]=4 19715 B12R1.8 O=CCSCOC1CCCCC1 62a_200015260668_100011935260 [1,0,0,1,0,0|2,0,0]=4 19716 B12R1.8 OCCCCNC1CCCCC1 2230a_100000182618_100000210776 [1,0,0,1,0,0|1,0,1]=4 19717 B12R1.8 OCCCCNC1CCCCC1 270004a_100000750430_100000210434 [1,0,0,1,0,0|1,0,1]=4 19718 B12R1.8 OCCCCNC1CCCCC1 34a_100000182618_100011216708 [1,0,0,1,0,0|1,0,1]=4 19719 B12R1.8 OCCCCNC1CCCCC1 34a_100000750430_100000210327 [1,0,0,1,0,0|1,0,1]=4 19720 B12R1.8 OCCCCOC1CCCCC1 34a_100000210231_100011216708 [1,0,0,1,0,0|1,0,1]=4 19721 B12R1.8 OCCCCOC1CCCCC1 7a_100000210231_100000210776 [1,0,0,1,0,0|1,0,1]=4 19722 B12R1.8 OCCCCSC1CCCCC1 62a_100000210327_100000210776 [1,0,0,1,0,0|1,0,1]=4 19723 B12R1.8 OCCCCSC1CCCCC1 62a_100000210776_100000210327 [1,0,0,1,0,0|1,0,1]=4 19724 B12R1.8 OCCCNCC1CCCCC1 2230a_100000210473_100000230001 [1,0,0,1,0,0|1,0,1]=4 19725 B12R1.8 OCCCNCC1CCCCC1 269862a_100000182051_100000211278 [1,0,0,1,0,0|1,0,1]=4 19726 B12R1.8 OCCCNCC1CCCCC1 34a_100000210473_100000230001 [1,0,0,1,0,0|1,0,1]=4 19727 B12R1.8 OCCCOCC1CCCCC1 34a_100000212181_100000230001 [1,0,0,1,0,0|1,0,1]=4 19728 B12R1.8 OCCCOCC1CCCCC1 7a_100000212181_100011215043 [1,0,0,1,0,0|1,0,1]=4 19729 B12R1.8 OCCCSCC1CCCCC1 62a_100000211423_100011215043 [1,0,0,1,0,0|1,0,1]=4 19730 B12R1.8 OCCCSCC1CCCCC1 62a_100011215043_100000211423 [1,0,0,1,0,0|1,0,1]=4 19731 B12R1.8 OCCNCCC1CCCCC1 2230a_100000738074_100000211926 [1,0,0,1,0,0|1,0,1]=4 19732 B12R1.8 OCCNCCC1CCCCC1 2230a_100016997473_100012355289 [1,0,0,1,0,0|1,0,1]=4 19733 B12R1.8 OCCNCCC1CCCCC1 270004a_100000210304_100011713444 [1,0,0,1,0,0|1,0,1]=4 19734 B12R1.8 OCCNCCC1CCCCC1 34a_100000738074_100000211926 [1,0,0,1,0,0|1,0,1]=4 19735 B12R1.8 OCCNCCC1CCCCC1 34a_100016990907_100011209188 [1,0,0,1,0,0|1,0,1]=4 19736 B12R1.8 OCCOCCC1CCCCC1 34a_100011217863_100000211926 [1,0,0,1,0,0|1,0,1]=4 19737 B12R1.8 OCCOCCC1CCCCC1 7a_100011217863_100000211926 [1,0,0,1,0,0|1,0,1]=4 19738 B12R1.8 OCCSCCC1CCCCC1 62a_100000211926_100012355289 [1,0,0,1,0,0|1,0,1]=4 19739 B12R1.8 OCCSCCC1CCCCC1 62a_100012355289_100000211926 [1,0,0,1,0,0|1,0,1]=4 19740 B12R1.8 [13CH3]OCCCCC1CCCCC1 34a_100011215267_200025704644 [1,0,0,1,0,0|1,0,1]=4 19741 B12R1.8 [13CH3]OCCCCC1CCCCC1 7a_100011215267_200025704644 [1,0,0,1,0,0|1,0,1]=4 19742 B12R1.18 CCCNC1CCCCNC1=O 2230a_100000698827_100000210303 [1,0,0,1,0,0|2,0,0]=4 19743 B12R1.18 CCCNC1CCCCNC1=O 34a_100000698827_100000210303 [1,0,0,1,0,0|2,0,0]=4 19744 B12R1.18 CCCSC1CCCCCC1=O 62a_100000210303_100000243696 [1,0,0,1,0,0|1,0,0]=3 19745 B12R1.18 CCCSC1CCCCCC1=O 62a_100000243696_100000210303 [1,0,0,1,0,0|1,0,0]=3 19746 B12R1.18 CCCSC1CCCCNC1=O 62a_100000210303_100000735217 [1,0,0,1,0,0|2,0,0]=4 19747 B12R1.18 CCCSC1CCCCNC1=O 62a_100000735217_100000210303 [1,0,0,1,0,0|2,0,0]=4 19748 B12R1.18 COCSC1CCCCCC1=O 62a_100000243696_100000766300 [1,0,0,1,0,0|2,0,0]=4 19749 B12R1.18 COCSC1CCCCCC1=O 62a_100000766300_100000243696 [1,0,0,1,0,0|2,0,0]=4 19750 B12R1.18 CSCSC1CCCCCC1=O 62a_100000243696_100011218213 [1,0,0,1,0,0|2,0,0]=4 19751 B12R1.18 CSCSC1CCCCCC1=O 62a_100011218213_100000243696 [1,0,0,1,0,0|2,0,0]=4 19752 B12R1.18 O=C1CCCCCC1SCCF 62a_100000243696_100011217306 [1,0,0,1,0,0|2,0,0]=4 19753 B12R1.18 O=C1CCCCCC1SCCF 62a_100011217306_100000243696 [1,0,0,1,0,0|2,0,0]=4 19754 B12R1.18 O=C1CCCCCC1SCCO 62a_100000211926_100000243696 [1,0,0,1,0,0|2,0,0]=4 19755 B12R1.18 O=C1CCCCCC1SCCO 62a_100000243696_100000211926 [1,0,0,1,0,0|2,0,0]=4 19756 B12R1.37 BrCCCCCOC1CCCC1 34a_100000746331_100000179811 [1,0,0,1,0,0|2,0,0]=4 19757 B12R1.37 BrCCCCCOC1CCCC1 7a_100000746331_100000179811 [1,0,0,1,0,0|2,0,0]=4 19758 B12R1.37 BrCCCCOCC1CCCC1 34a_100011216708_100000740388 [1,0,0,1,0,0|2,0,0]=4 19759 B12R1.37 BrCCCOCCC1CCCC1 34a_100011217188_100000760354 [1,0,0,1,0,0|2,0,0]=4 19760 B12R1.37 BrCCOCCCC1CCCC1 34a_100000211926_100011713738 [1,0,0,1,0,0|2,0,0]=4 19761 B12R1.37 C=CCCCCCN1CCCC1 2230a_100000188435_100000700193 [1,0,0,1,0,0|1,0,1]=4 19762 B12R1.37 C=CCCCCCN1CCCC1 269982a_100000188435_100000700193 [1,0,0,1,0,0|1,0,1]=4 19763 B12R1.37 C=CCCCCNC1CCCC1 2230a_100000211070_100011215482 [1,0,0,1,0,0|1,0,1]=4 19764 B12R1.37 C=CCCCCNC1CCCC1 2230a_100000703577_100000179811 [1,0,0,1,0,0|1,0,1]=4 19765 B12R1.37 C=CCCCCNC1CCCC1 270004a_100000703577_100000210133 [1,0,0,1,0,0|1,0,1]=4 19766 B12R1.37 C=CCCCCNC1CCCC1 34a_100000211070_100011215482 [1,0,0,1,0,0|1,0,1]=4 19767 B12R1.37 C=CCCCCNC1CCCC1 34a_100000703577_100000179811 [1,0,0,1,0,0|1,0,1]=4 19768 B12R1.37 C=CCCCCOC1CCCC1 34a_100000210269_100011215482 [1,0,0,1,0,0|1,0,1]=4 19769 B12R1.37 C=CCCCCOC1CCCC1 34a_100000766645_100000179811 [1,0,0,1,0,0|1,0,1]=4 19770 B12R1.37 C=CCCCCOC1CCCC1 7a_100000210269_100011215482 [1,0,0,1,0,0|1,0,1]=4 19771 B12R1.37 C=CCCCCOC1CCCC1 7a_100000766645_100000179811 [1,0,0,1,0,0|1,0,1]=4 19772 B12R1.37 C=CCCCCSC1CCCC1 62a_100011215482_100000179811 [1,0,0,1,0,0|1,0,1]=4 19773 B12R1.37 C=CCCCCSC1CCCC1 62a_100011217020_100011215482 [1,0,0,1,0,0|1,0,1]=4 19774 B12R1.37 C=CCCCNCC1CCCC1 2230a_100000700776_100000740388 [1,0,0,1,0,0|1,0,1]=4 19775 B12R1.37 C=CCCCNCC1CCCC1 2230a_100000737975_100011713584 [1,0,0,1,0,0|1,0,1]=4 19776 B12R1.37 C=CCCCNCC1CCCC1 269862a_100000700776_100000746403 [1,0,0,1,0,0|1,0,1]=4 19777 B12R1.37 C=CCCCNCC1CCCC1 34a_100000700776_100000740388 [1,0,0,1,0,0|1,0,1]=4 19778 B12R1.37 C=CCCCNCC1CCCC1 34a_100000737975_100000757094 [1,0,0,1,0,0|1,0,1]=4 19779 B12R1.37 C=CCCCOCC1CCCC1 34a_100000742336_100000757094 [1,0,0,1,0,0|1,0,1]=4 19780 B12R1.37 C=CCCCOCC1CCCC1 34a_100000758997_100000740388 [1,0,0,1,0,0|1,0,1]=4 19781 B12R1.37 C=CCCCOCC1CCCC1 7a_100000742336_100000757094 [1,0,0,1,0,0|1,0,1]=4 19782 B12R1.37 C=CCCCOCC1CCCC1 7a_100000758997_100000740388 [1,0,0,1,0,0|1,0,1]=4 19783 B12R1.37 C=CCCCSCC1CCCC1 62a_100000740388_100000757094 [1,0,0,1,0,0|1,0,1]=4 19784 B12R1.37 C=CCCCSCC1CCCC1 62a_100011713584_100000740388 [1,0,0,1,0,0|1,0,1]=4 19785 B12R1.37 C=CCCNCCC1CCCC1 2230a_100000739158_100000754431 [1,0,0,1,0,0|1,0,1]=4 19786 B12R1.37 C=CCCNCCC1CCCC1 2230a_100015191253_100000760354 [1,0,0,1,0,0|1,0,1]=4 19787 B12R1.37 C=CCCNCCC1CCCC1 34a_100000739158_100000754431 [1,0,0,1,0,0|1,0,1]=4 19788 B12R1.37 C=CCCOCCC1CCCC1 34a_100000749090_100000754431 [1,0,0,1,0,0|1,0,1]=4 19789 B12R1.37 C=CCCOCCC1CCCC1 34a_100011205117_100000760354 [1,0,0,1,0,0|1,0,1]=4 19790 B12R1.37 C=CCCOCCC1CCCC1 7a_100000749090_100000754431 [1,0,0,1,0,0|1,0,1]=4 19791 B12R1.37 C=CCCSCCC1CCCC1 62a_100000754431_100000760354 [1,0,0,1,0,0|1,0,1]=4 19792 B12R1.37 C=CCCSCCC1CCCC1 62a_100000760354_100000754431 [1,0,0,1,0,0|1,0,1]=4 19793 B12R1.37 C=CCNCCCC1CCCC1 2230a_100000736752_100000210623 [1,0,0,1,0,0|1,0,1]=4 19794 B12R1.37 C=CCNCCCC1CCCC1 2230a_100020586998_100011713738 [1,0,0,1,0,0|1,0,1]=4 19795 B12R1.37 C=CCNCCCC1CCCC1 34a_100000736752_100015514636 [1,0,0,1,0,0|1,0,1]=4 19796 B12R1.37 C=CCOCCCC1CCCC1 34a_100011215328_100015514636 [1,0,0,1,0,0|1,0,1]=4 19797 B12R1.37 C=CCOCCCC1CCCC1 34a_200000210373_100011713738 [1,0,0,1,0,0|1,0,1]=4 19798 B12R1.37 C=CCOCCCC1CCCC1 7a_100011215328_100015514636 [1,0,0,1,0,0|1,0,1]=4 19799 B12R1.37 C=CCSCCCC1CCCC1 62a_100000210623_100011713738 [1,0,0,1,0,0|1,0,1]=4 19800 B12R1.37 C=CCSCCCC1CCCC1 62a_100011713738_100000210623 [1,0,0,1,0,0|1,0,1]=4 19801 B12R1.37 CCCCCCCN1CCCC1 2230a_100000188435_100000210681 [1,0,0,1,0,0|1,0,1]=4 19802 B12R1.37 CCCCCCCN1CCCC1 269982a_100000188435_100000210681 [1,0,0,1,0,0|1,0,1]=4 19803 B12R1.37 CCCCCCNC1CCCC1 2230a_100000210581_100000179811 [1,0,0,1,0,0|1,0,1]=4 19804 B12R1.37 CCCCCCNC1CCCC1 2230a_100000211070_100000210314 [1,0,0,1,0,0|1,0,1]=4 19805 B12R1.37 CCCCCCNC1CCCC1 270004a_100000210581_100000210133 [1,0,0,1,0,0|1,0,1]=4 19806 B12R1.37 CCCCCCNC1CCCC1 34a_100000211070_100000210314 [1,0,0,1,0,0|1,0,1]=4 19807 B12R1.37 CCCCCCOC1CCCC1 34a_100000210259_100000179811 [1,0,0,1,0,0|1,0,1]=4 19808 B12R1.37 CCCCCCOC1CCCC1 34a_100000210269_100000210314 [1,0,0,1,0,0|1,0,1]=4 19809 B12R1.37 CCCCCCOC1CCCC1 7a_100000210259_100000179811 [1,0,0,1,0,0|1,0,1]=4 19810 B12R1.37 CCCCCCOC1CCCC1 7a_100000210269_100000210314 [1,0,0,1,0,0|1,0,1]=4 19811 B12R1.37 CCCCCCOC1CCCO1 34a_100000085407_100000210314 [1,0,0,1,0,0|1,0,1]=4 19812 B12R1.37 CCCCCCSC1CCCC1 62a_100000210314_100000179811 [1,0,0,1,0,0|1,0,1]=4 19813 B12R1.37 CCCCCCSC1CCCC1 62a_100011217020_100000210757 [1,0,0,1,0,0|1,0,1]=4 19814 B12R1.37 CCCCCNCC1CCCC1 2230a_100000209983_100000740388 [1,0,0,1,0,0|1,0,1]=4 19815 B12R1.37 CCCCCNCC1CCCC1 2230a_100000737975_100000210326 [1,0,0,1,0,0|1,0,1]=4 19816 B12R1.37 CCCCCNCC1CCCC1 269862a_100000209983_100000746403 [1,0,0,1,0,0|1,0,1]=4 19817 B12R1.37 CCCCCNCC1CCCC1 34a_100000737975_100000718602 [1,0,0,1,0,0|1,0,1]=4 19818 B12R1.37 CCCCCNCC1CCCO1 2230a_100000209983_100000203698 [1,0,0,1,0,0|1,0,1]=4 19819 B12R1.37 CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210326 [1,0,0,1,0,0|1,0,1]=4 19820 B12R1.37 CCCCCNC[C@@H]1CCCO1 34a_100020590478_100000718602 [1,0,0,1,0,0|1,0,1]=4 19821 B12R1.37 CCCCCOCC1CCCC1 34a_100000210253_100000740388 [1,0,0,1,0,0|1,0,1]=4 19822 B12R1.37 CCCCCOCC1CCCC1 34a_100000742336_100000718602 [1,0,0,1,0,0|1,0,1]=4 19823 B12R1.37 CCCCCOCC1CCCC1 7a_100000210253_100000740388 [1,0,0,1,0,0|1,0,1]=4 19824 B12R1.37 CCCCCOCC1CCCC1 7a_100000742336_100000210326 [1,0,0,1,0,0|1,0,1]=4 19825 B12R1.37 CCCCCOCC1CCCO1 34a_100000210270_100000718602 [1,0,0,1,0,0|1,0,1]=4 19826 B12R1.37 CCCCCOCC1CCCO1 7a_100000210253_100000203698 [1,0,0,1,0,0|1,0,1]=4 19827 B12R1.37 CCCCCOCC1CCCO1 7a_100000210270_100000210326 [1,0,0,1,0,0|1,0,1]=4 19828 B12R1.37 CCCCCOC[C@H]1CCCN1 34a_100000745186_100000718602 [1,0,0,1,0,0|2,0,0]=4 19829 B12R1.37 CCCCCSCC1CCCC1 62a_100000210326_100000740388 [1,0,0,1,0,0|1,0,1]=4 19830 B12R1.37 CCCCCSCC1CCCC1 62a_100000740388_100000210326 [1,0,0,1,0,0|1,0,1]=4 19831 B12R1.37 CCCCCSCC1CCCO1 62a_100000203698_100000210326 [1,0,0,1,0,0|1,0,1]=4 19832 B12R1.37 CCCCCSCC1CCCO1 62a_100000210326_100000203698 [1,0,0,1,0,0|1,0,1]=4 19833 B12R1.37 CCCCNCCC1CCCC1 2230a_100000102301_100000760354 [1,0,0,1,0,0|1,0,1]=4 19834 B12R1.37 CCCCNCCC1CCCC1 2230a_100000739158_100000210211 [1,0,0,1,0,0|1,0,1]=4 19835 B12R1.37 CCCCNCCC1CCCC1 34a_100000739158_100000210210 [1,0,0,1,0,0|1,0,1]=4 19836 B12R1.37 CCCCNCCC1CCCC1 7a_106832991798_100000760354 [1,0,0,1,0,0|1,0,1]=4 19837 B12R1.37 CCCCOCCC1CCCC1 34a_100000210227_100000760354 [1,0,0,1,0,0|1,0,1]=4 19838 B12R1.37 CCCCOCCC1CCCC1 34a_100000749090_100000210210 [1,0,0,1,0,0|1,0,1]=4 19839 B12R1.37 CCCCOCCC1CCCC1 7a_100000210227_100000760354 [1,0,0,1,0,0|1,0,1]=4 19840 B12R1.37 CCCCOCCC1CCCC1 7a_100000749090_100000210211 [1,0,0,1,0,0|1,0,1]=4 19841 B12R1.37 CCCCSCCC1CCCC1 62a_100000210211_100000760354 [1,0,0,1,0,0|1,0,1]=4 19842 B12R1.37 CCCCSCCC1CCCC1 62a_100000760354_100000210210 [1,0,0,1,0,0|1,0,1]=4 19843 B12R1.37 CCCNCCCC1CCCC1 2230a_100000736752_100000210303 [1,0,0,1,0,0|1,0,1]=4 19844 B12R1.37 CCCNCCCC1CCCC1 34a_100000736752_100000210303 [1,0,0,1,0,0|1,0,1]=4 19845 B12R1.37 CCCOCCCC1CCCC1 34a_100000210258_100011713738 [1,0,0,1,0,0|1,0,1]=4 19846 B12R1.37 CCCOCCCC1CCCC1 34a_100011215328_100000210303 [1,0,0,1,0,0|1,0,1]=4 19847 B12R1.37 CCCOCCCC1CCCC1 7a_100011215328_100000210303 [1,0,0,1,0,0|1,0,1]=4 19848 B12R1.37 CCCSCCCC1CCCC1 62a_100000210303_100011713738 [1,0,0,1,0,0|1,0,1]=4 19849 B12R1.37 CCCSCCCC1CCCC1 62a_100011713738_100000210303 [1,0,0,1,0,0|1,0,1]=4 19850 B12R1.37 ClCCCCCOC1CCCC1 34a_100000746330_100000179811 [1,0,0,1,0,0|2,0,0]=4 19851 B12R1.37 ClCCCCCOC1CCCC1 7a_100000746330_100000179811 [1,0,0,1,0,0|2,0,0]=4 19852 B12R1.37 ClCCCCOCC1CCCC1 34a_100000210776_100000740388 [1,0,0,1,0,0|2,0,0]=4 19853 B12R1.37 ClCCCCOCC1CCCC1 7a_100000210776_100000740388 [1,0,0,1,0,0|2,0,0]=4 19854 B12R1.37 ClCCCOCCC1CCCC1 34a_100000230001_100000760354 [1,0,0,1,0,0|2,0,0]=4 19855 B12R1.37 FCCCCCCN1CCCC1 2230a_100000188435_100015922095 [1,0,0,1,0,0|2,0,0]=4 19856 B12R1.37 FCCCCCCN1CCCC1 269982a_100000188435_100015922095 [1,0,0,1,0,0|2,0,0]=4 19857 B12R1.37 FCCCCCNC1CCCC1 2230a_100000211070_100000729378 [1,0,0,1,0,0|2,0,0]=4 19858 B12R1.37 FCCCCCNC1CCCC1 34a_100000211070_100000729378 [1,0,0,1,0,0|2,0,0]=4 19859 B12R1.37 FCCCCCOC1CCCC1 34a_100000210269_100000729378 [1,0,0,1,0,0|2,0,0]=4 19860 B12R1.37 FCCCCCOC1CCCC1 7a_100000210269_100000729378 [1,0,0,1,0,0|2,0,0]=4 19861 B12R1.37 FCCCCCSC1CCCC1 62a_100000729378_100000179811 [1,0,0,1,0,0|2,0,0]=4 19862 B12R1.37 FCCCCCSC1CCCC1 62a_100011217020_100000729378 [1,0,0,1,0,0|2,0,0]=4 19863 B12R1.37 FCCCCNCC1CCCC1 2230a_100000737975_100000729493 [1,0,0,1,0,0|2,0,0]=4 19864 B12R1.37 FCCCCNCC1CCCC1 34a_100000737975_100000729493 [1,0,0,1,0,0|2,0,0]=4 19865 B12R1.37 FCCCCOCC1CCCC1 34a_100000742336_100000729493 [1,0,0,1,0,0|2,0,0]=4 19866 B12R1.37 FCCCCOCC1CCCC1 34a_100011995726_100000740388 [1,0,0,1,0,0|2,0,0]=4 19867 B12R1.37 FCCCCOCC1CCCC1 7a_100000742336_100000729493 [1,0,0,1,0,0|2,0,0]=4 19868 B12R1.37 FCCCCOCC1CCCC1 7a_100011995726_100000740388 [1,0,0,1,0,0|2,0,0]=4 19869 B12R1.37 FCCCCSCC1CCCC1 62a_100000729493_100000740388 [1,0,0,1,0,0|2,0,0]=4 19870 B12R1.37 FCCCCSCC1CCCC1 62a_100000740388_100000729493 [1,0,0,1,0,0|2,0,0]=4 19871 B12R1.37 FCCCNCCC1CCCC1 2230a_100000739158_100011934791 [1,0,0,1,0,0|2,0,0]=4 19872 B12R1.37 FCCCNCCC1CCCC1 2230a_100015189416_100000760354 [1,0,0,1,0,0|2,0,0]=4 19873 B12R1.37 FCCCNCCC1CCCC1 34a_100000739158_100011934791 [1,0,0,1,0,0|2,0,0]=4 19874 B12R1.37 FCCCNCCC1CCCC1 34a_100015189416_100000760354 [1,0,0,1,0,0|2,0,0]=4 19875 B12R1.37 FCCCOCCC1CCCC1 34a_100000749090_100011934791 [1,0,0,1,0,0|2,0,0]=4 19876 B12R1.37 FCCCOCCC1CCCC1 34a_100000759539_100000760354 [1,0,0,1,0,0|2,0,0]=4 19877 B12R1.37 FCCCOCCC1CCCC1 7a_100000749090_100011934791 [1,0,0,1,0,0|2,0,0]=4 19878 B12R1.37 FCCCSCCC1CCCC1 62a_100000760354_100011934791 [1,0,0,1,0,0|2,0,0]=4 19879 B12R1.37 FCCCSCCC1CCCC1 62a_100011934791_100000760354 [1,0,0,1,0,0|2,0,0]=4 19880 B12R1.37 FCCNCCCC1CCCC1 2230a_100000736752_100011217306 [1,0,0,1,0,0|2,0,0]=4 19881 B12R1.37 FCCNCCCC1CCCC1 34a_100000724931_100011713738 [1,0,0,1,0,0|2,0,0]=4 19882 B12R1.37 FCCNCCCC1CCCC1 34a_100000736752_100011217306 [1,0,0,1,0,0|2,0,0]=4 19883 B12R1.37 FCCOCCCC1CCCC1 34a_100011215328_100011217306 [1,0,0,1,0,0|2,0,0]=4 19884 B12R1.37 FCCOCCCC1CCCC1 7a_100011215328_100011217306 [1,0,0,1,0,0|2,0,0]=4 19885 B12R1.37 FCCSCCCC1CCCC1 62a_100011217306_100011713738 [1,0,0,1,0,0|2,0,0]=4 19886 B12R1.37 FCCSCCCC1CCCC1 62a_100011713738_100011217306 [1,0,0,1,0,0|2,0,0]=4 19887 B12R1.37 ICCCCCOC1CCCC1 34a_200012148887_100000179811 [1,0,0,1,0,0|2,0,0]=4 19888 B12R1.37 ICCCCCOC1CCCC1 7a_200012148887_100000179811 [1,0,0,1,0,0|2,0,0]=4 19889 B12R1.37 ICCCCOCC1CCCC1 34a_200012148704_100000740388 [1,0,0,1,0,0|2,0,0]=4 19890 B12R1.37 NCCCCCOC1CCCC1 34a_100000762737_100000179811 [1,0,0,1,0,0|2,0,0]=4 19891 B12R1.37 NCCCCOCC1CCCC1 34a_100000750430_100000740388 [1,0,0,1,0,0|2,0,0]=4 19892 B12R1.37 NCCCOCCC1CCCC1 34a_100000182051_100000760354 [1,0,0,1,0,0|2,0,0]=4 19893 B12R1.37 NCCOCCCC1CCCC1 34a_100000210304_100011713738 [1,0,0,1,0,0|2,0,0]=4 19894 B12R1.37 O=CCCCCCN1CCCC1 2230a_100000188435_100000139337 [1,0,0,1,0,0|1,0,0]=3 19895 B12R1.37 O=CCCCCCN1CCCC1 269982a_100000188435_100000139337 [1,0,0,1,0,0|1,0,0]=3 19896 B12R1.37 O=CCCCCCN1CCSC1 2230a_100011215254_100000139337 [1,0,0,1,0,0|2,0,0]=4 19897 B12R1.37 O=CCCCCCN1CCSC1 269982a_100011215254_100000139337 [1,0,0,1,0,0|2,0,0]=4 19898 B12R1.37 O=CCCCCNC1CCCC1 2230a_100000211070_100000139335 [1,0,0,1,0,0|1,0,0]=3 19899 B12R1.37 O=CCCCCN[C@@H]1CCOC1 2230a_200015188469_100000139335 [1,0,0,1,0,0|2,0,0]=4 19900 B12R1.37 O=CCCCCN[C@H]1CCOC1 2230a_100015188467_100000139335 [1,0,0,1,0,0|2,0,0]=4 19901 B12R1.37 O=CCCCCOC1CCCC1 7a_100000210269_100000139335 [1,0,0,1,0,0|1,0,0]=3 19902 B12R1.37 O=CCCCCOC1CCSC1 7a_100011232664_100000139335 [1,0,0,1,0,0|2,0,0]=4 19903 B12R1.37 O=CCCCCSC1CCCC1 62a_100000139335_100000179811 [1,0,0,1,0,0|1,0,0]=3 19904 B12R1.37 O=CCCCCSC1CCCC1 62a_100011217020_100000139335 [1,0,0,1,0,0|1,0,0]=3 19905 B12R1.37 O=CCCCCSC1CCOC1 62a_100000139335_100000690089 [1,0,0,1,0,0|2,0,0]=4 19906 B12R1.37 O=CCCCNCC1CCCC1 2230a_100000737975_200011292268 [1,0,0,1,0,0|1,0,0]=3 19907 B12R1.37 O=CCCCNCC1CCOC1 2230a_100000737293_200011292268 [1,0,0,1,0,0|2,0,0]=4 19908 B12R1.37 O=CCCCNC[C@@H]1CCCO1 2230a_100020590478_200011292268 [1,0,0,1,0,0|2,0,0]=4 19909 B12R1.37 O=CCCCOCC1CCCC1 7a_100000742336_200011292268 [1,0,0,1,0,0|1,0,0]=3 19910 B12R1.37 O=CCCCOCC1CCCO1 7a_100000210270_200011292268 [1,0,0,1,0,0|2,0,0]=4 19911 B12R1.37 O=CCCCSCC1CCCC1 62a_100000740388_200011292268 [1,0,0,1,0,0|1,0,0]=3 19912 B12R1.37 O=CCCCSCC1CCCC1 62a_200011292268_100000740388 [1,0,0,1,0,0|1,0,0]=3 19913 B12R1.37 O=CCCCSCC1CCCO1 62a_100000203698_200011292268 [1,0,0,1,0,0|2,0,0]=4 19914 B12R1.37 O=CCCCSCC1CCCO1 62a_200011292268_100000203698 [1,0,0,1,0,0|2,0,0]=4 19915 B12R1.37 O=CCCCSCC1CCOC1 62a_100000702531_200011292268 [1,0,0,1,0,0|2,0,0]=4 19916 B12R1.37 O=CCCCSCC1CCOC1 62a_200011292268_100000702531 [1,0,0,1,0,0|2,0,0]=4 19917 B12R1.37 O=CCNCCCC1CCCC1 2230a_100000736752_200015260668 [1,0,0,1,0,0|1,0,0]=3 19918 B12R1.37 O=CCNCCCC1CCCC1 34a_100000736752_200009817547 [1,0,0,1,0,0|1,0,0]=3 19919 B12R1.37 O=CCNCCOC1CCCC1 34a_100000741755_200009817547 [1,0,0,1,0,0|2,0,0]=4 19920 B12R1.37 O=CCOCCCC1CCCC1 34a_100011215328_200009817547 [1,0,0,1,0,0|1,0,0]=3 19921 B12R1.37 O=CCOCCCC1CCCC1 7a_100011215328_200015260668 [1,0,0,1,0,0|1,0,0]=3 19922 B12R1.37 O=CCOCCNC1CCCC1 34a_200000200444_200009817547 [1,0,0,1,0,0|2,0,0]=4 19923 B12R1.37 O=CCOCCOC1CCCC1 34a_100000738311_200009817547 [1,0,0,1,0,0|2,0,0]=4 19924 B12R1.37 O=CCOCCOC1CCCC1 7a_100000738311_200015260668 [1,0,0,1,0,0|2,0,0]=4 19925 B12R1.37 O=CCSCCCC1CCCC1 62a_100011713738_200015260668 [1,0,0,1,0,0|1,0,0]=3 19926 B12R1.37 O=CCSCCCC1CCCC1 62a_200015260668_100011713738 [1,0,0,1,0,0|1,0,0]=3 19927 B12R1.37 O=CCSCCCN1CCCC1 62a_100016991639_200015260668 [1,0,0,1,0,0|2,0,0]=4 19928 B12R1.37 O=CCSCCCN1CCCC1 62a_200015260668_100011445909 [1,0,0,1,0,0|2,0,0]=4 19929 B12R1.37 OCCCCCCN1CCCC1 2230a_100000188435_100000766143 [1,0,0,1,0,0|1,0,1]=4 19930 B12R1.37 OCCCCCCN1CCCC1 269982a_100000188435_100000766143 [1,0,0,1,0,0|1,0,1]=4 19931 B12R1.37 OCCCCCNC1CCCC1 2230a_100000211070_100000746330 [1,0,0,1,0,0|1,0,1]=4 19932 B12R1.37 OCCCCCNC1CCCC1 2230a_100000762737_100000179811 [1,0,0,1,0,0|1,0,1]=4 19933 B12R1.37 OCCCCCNC1CCCC1 270004a_100000762737_100000210133 [1,0,0,1,0,0|1,0,1]=4 19934 B12R1.37 OCCCCCNC1CCCC1 34a_100000211070_100000746330 [1,0,0,1,0,0|1,0,1]=4 19935 B12R1.37 OCCCCCNC1CCCC1 34a_100000762737_100000179811 [1,0,0,1,0,0|1,0,1]=4 19936 B12R1.37 OCCCCCOC1CCCC1 34a_100000210269_100000746330 [1,0,0,1,0,0|1,0,1]=4 19937 B12R1.37 OCCCCCOC1CCCC1 7a_100000210269_100000746330 [1,0,0,1,0,0|1,0,1]=4 19938 B12R1.37 OCCCCCSC1CCCC1 62a_100000746330_100000179811 [1,0,0,1,0,0|1,0,1]=4 19939 B12R1.37 OCCCCCSC1CCCC1 62a_100011217020_100000746330 [1,0,0,1,0,0|1,0,1]=4 19940 B12R1.37 OCCCCNCC1CCCC1 2230a_100000737975_100000210776 [1,0,0,1,0,0|1,0,1]=4 19941 B12R1.37 OCCCCNCC1CCCC1 2230a_100000750430_100000740388 [1,0,0,1,0,0|1,0,1]=4 19942 B12R1.37 OCCCCNCC1CCCC1 269862a_100000750430_100000746403 [1,0,0,1,0,0|1,0,1]=4 19943 B12R1.37 OCCCCNCC1CCCC1 34a_100000737975_100011216708 [1,0,0,1,0,0|1,0,1]=4 19944 B12R1.37 OCCCCNCC1CCCC1 34a_100000750430_100000740388 [1,0,0,1,0,0|1,0,1]=4 19945 B12R1.37 OCCCCOCC1CCCC1 34a_100000742336_100011216708 [1,0,0,1,0,0|1,0,1]=4 19946 B12R1.37 OCCCCOCC1CCCC1 7a_100000742336_100000210776 [1,0,0,1,0,0|1,0,1]=4 19947 B12R1.37 OCCCCSCC1CCCC1 62a_100000210776_100000740388 [1,0,0,1,0,0|1,0,1]=4 19948 B12R1.37 OCCCCSCC1CCCC1 62a_100000740388_100000210776 [1,0,0,1,0,0|1,0,1]=4 19949 B12R1.37 OCCCNCCC1CCCC1 2230a_100000739158_100000230001 [1,0,0,1,0,0|1,0,1]=4 19950 B12R1.37 OCCCNCCC1CCCC1 34a_100000739158_100000230001 [1,0,0,1,0,0|1,0,1]=4 19951 B12R1.37 OCCCOCCC1CCCC1 34a_100000749090_100000230001 [1,0,0,1,0,0|1,0,1]=4 19952 B12R1.37 OCCCOCCC1CCCC1 7a_100000749090_100011215043 [1,0,0,1,0,0|1,0,1]=4 19953 B12R1.37 OCCCSCCC1CCCC1 62a_100000760354_100011215043 [1,0,0,1,0,0|1,0,1]=4 19954 B12R1.37 OCCCSCCC1CCCC1 62a_100011215043_100000760354 [1,0,0,1,0,0|1,0,1]=4 19955 B12R1.37 OCCNCCCC1CCCC1 2230a_100000736752_100000211926 [1,0,0,1,0,0|1,0,1]=4 19956 B12R1.37 OCCNCCCC1CCCC1 2230a_100016997473_100011713738 [1,0,0,1,0,0|1,0,1]=4 19957 B12R1.37 OCCNCCCC1CCCC1 34a_100000736752_100000211926 [1,0,0,1,0,0|1,0,1]=4 19958 B12R1.37 OCCNCCCC1CCCC1 34a_100016990907_100011713738 [1,0,0,1,0,0|1,0,1]=4 19959 B12R1.37 OCCOCCCC1CCCC1 34a_100011215328_100000211926 [1,0,0,1,0,0|1,0,1]=4 19960 B12R1.37 OCCOCCCC1CCCC1 7a_100011215328_100000211926 [1,0,0,1,0,0|1,0,1]=4 19961 B12R1.37 OCCSCCCC1CCCC1 62a_100000211926_100011713738 [1,0,0,1,0,0|1,0,1]=4 19962 B12R1.37 OCCSCCCC1CCCC1 62a_100011713738_100000211926 [1,0,0,1,0,0|1,0,1]=4 19963 B12R1.45 C=CCCCN1CCCC1CC 2230a_100000754278_100011713584 [1,0,0,1,0,0|1,0,1]=4 19964 B12R1.45 C=CCCCN1CCCC1CC 269982a_100000754278_100000757094 [1,0,0,1,0,0|1,0,1]=4 19965 B12R1.45 C=CCCCN1CCCC1CC 34a_100000754278_100000757094 [1,0,0,1,0,0|1,0,1]=4 19966 B12R1.45 C=CCCNC1CCCC1CC 269862a_100015191253_100000749056 [1,0,0,1,0,0|1,0,1]=4 19967 B12R1.45 C=CCCNC1CCCC1CC 270004a_100015191253_100000749056 [1,0,0,1,0,0|1,0,1]=4 19968 B12R1.45 CCC1CCCC1NCCCF 269862a_100015189416_100000749056 [1,0,0,1,0,0|2,0,0]=4 19969 B12R1.45 CCC1CCCC1NCCCF 270004a_100015189416_100000749056 [1,0,0,1,0,0|2,0,0]=4 19970 B12R1.45 CCC1CCCC1NCCCO 269862a_100000182051_100000749056 [1,0,0,1,0,0|1,0,1]=4 19971 B12R1.45 CCC1CCCC1NCCCO 270004a_100000182051_100000749056 [1,0,0,1,0,0|1,0,1]=4 19972 B12R1.45 CCC1CCCN1CCCC=O 2230a_100000754278_200011292268 [1,0,0,1,0,0|1,0,0]=3 19973 B12R1.45 CCC1CCCN1CCCC=O 269982a_100000754278_200011292268 [1,0,0,1,0,0|1,0,0]=3 19974 B12R1.45 CCC1CCCN1CCCCF 2230a_100000754278_100000729493 [1,0,0,1,0,0|2,0,0]=4 19975 B12R1.45 CCC1CCCN1CCCCF 269982a_100000754278_100000729493 [1,0,0,1,0,0|2,0,0]=4 19976 B12R1.45 CCC1CCCN1CCCCF 34a_100000754278_100000729493 [1,0,0,1,0,0|2,0,0]=4 19977 B12R1.45 CCC1CCCN1CCCCO 2230a_100000754278_100000210776 [1,0,0,1,0,0|1,0,1]=4 19978 B12R1.45 CCC1CCCN1CCCCO 269982a_100000754278_100000210776 [1,0,0,1,0,0|1,0,1]=4 19979 B12R1.45 CCC1CCCN1CCCCO 34a_100000754278_100011216708 [1,0,0,1,0,0|1,0,1]=4 19980 B12R1.45 CCCCCC1CCCC1NC 269862a_106832991636_200000198059 [1,0,0,1,0,0|1,0,1]=4 19981 B12R1.45 CCCCCC1CCCC1NC 270004a_106832991635_200000198059 [1,0,0,1,0,0|1,0,1]=4 19982 B12R1.45 CCCCCN1CCCC1CC 2230a_100000754278_100000210326 [1,0,0,1,0,0|1,0,1]=4 19983 B12R1.45 CCCCCN1CCCC1CC 269982a_100000754278_100000210215 [1,0,0,1,0,0|1,0,1]=4 19984 B12R1.45 CCCCCN1CCCC1CC 34a_100000754278_100000718602 [1,0,0,1,0,0|1,0,1]=4 19985 B12R1.45 CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210326 [1,0,0,1,0,0|1,0,1]=4 19986 B12R1.45 CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210215 [1,0,0,1,0,0|1,0,1]=4 19987 B12R1.45 CCCCCN1CCC[C@@H]1CO 34a_100000745186_100000718602 [1,0,0,1,0,0|1,0,1]=4 19988 B12R1.45 CCCCNC1CCCC1CC 269862a_100000102301_100000749056 [1,0,0,1,0,0|1,0,1]=4 19989 B12R1.45 CCCCNC1CCCC1CC 270004a_100000102301_100000749056 [1,0,0,1,0,0|1,0,1]=4 19990 B12R1.45 CCN1CCCC1CNCC=O 2230a_100000211693_200015260668 [1,0,0,1,0,0|2,0,0]=4 19991 B12R1.45 CCN1CCC[C@@H]1COCC=O 34a_100011739246_200009817547 [1,0,0,1,0,0|2,0,0]=4 19992 B12R1.45 CCN1CCC[C@@H]1COCC=O 7a_100011739246_200015260668 [1,0,0,1,0,0|2,0,0]=4 19993 B12R1.45 O=CCCCN1CCC[C@@H]1CO 2230a_100000745186_200011292268 [1,0,0,1,0,0|2,0,0]=4 19994 B12R1.45 O=CCCCN1CCC[C@@H]1CO 269982a_100000745186_200011292268 [1,0,0,1,0,0|2,0,0]=4 19995 B12R1.121 C=CCCN1CCCCC1CC 2230a_100000210034_100000754431 [1,0,0,1,0,0|1,0,1]=4 19996 B12R1.121 C=CCCN1CCCCC1CC 269982a_100000210034_100000754431 [1,0,0,1,0,0|1,0,1]=4 19997 B12R1.121 C=CCCN1CCCCC1CC 34a_100000210034_100000754431 [1,0,0,1,0,0|1,0,1]=4 19998 B12R1.121 C=CCNC1CCCCC1CC 270004a_100020586998_100000757040 [1,0,0,1,0,0|1,0,1]=4 19999 B12R1.121 C=CCOC1CCCCC1CC 34a_100000210738_100015514636 [1,0,0,1,0,0|1,0,1]=4 20000 B12R1.121 C=CCOC1CCCCC1CC 7a_100000210738_100015514636 [1,0,0,1,0,0|1,0,1]=4 20001 B12R1.121 CCC1CCCCC1NCCF 269862a_100000724931_100000757040 [1,0,0,1,0,0|2,0,0]=4 20002 B12R1.121 CCC1CCCCC1NCCO 269862a_100000210304_100000757040 [1,0,0,1,0,0|1,0,1]=4 20003 B12R1.121 CCC1CCCCC1NCCO 270004a_100000210304_100000757040 [1,0,0,1,0,0|1,0,1]=4 20004 B12R1.121 CCC1CCCCC1OCC=O 34a_100000210738_200009817547 [1,0,0,1,0,0|1,0,0]=3 20005 B12R1.121 CCC1CCCCC1OCC=O 7a_100000210738_200015260668 [1,0,0,1,0,0|1,0,0]=3 20006 B12R1.121 CCC1CCCCC1OCCF 34a_100000210738_100011217306 [1,0,0,1,0,0|2,0,0]=4 20007 B12R1.121 CCC1CCCCC1OCCF 7a_100000210738_100011217306 [1,0,0,1,0,0|2,0,0]=4 20008 B12R1.121 CCC1CCCCC1OCCO 34a_100000210738_100000211926 [1,0,0,1,0,0|1,0,1]=4 20009 B12R1.121 CCC1CCCCC1OCCO 7a_100000210738_100000211926 [1,0,0,1,0,0|1,0,1]=4 20010 B12R1.121 CCC1CCCCN1CCCF 2230a_100000210034_100011934791 [1,0,0,1,0,0|2,0,0]=4 20011 B12R1.121 CCC1CCCCN1CCCF 269982a_100000210034_100011934791 [1,0,0,1,0,0|2,0,0]=4 20012 B12R1.121 CCC1CCCCN1CCCF 34a_100000210034_100011934791 [1,0,0,1,0,0|2,0,0]=4 20013 B12R1.121 CCC1CCCCN1CCCO 2230a_100000210034_100000230001 [1,0,0,1,0,0|1,0,1]=4 20014 B12R1.121 CCC1CCCCN1CCCO 269982a_100000210034_100011215043 [1,0,0,1,0,0|1,0,1]=4 20015 B12R1.121 CCC1CCCCN1CCCO 34a_100000210034_100000230001 [1,0,0,1,0,0|1,0,1]=4 20016 B12R1.121 CCCCN1CCCCC1CC 2230a_100000210034_100000210211 [1,0,0,1,0,0|1,0,1]=4 20017 B12R1.121 CCCCN1CCCCC1CC 269982a_100000210034_100000210211 [1,0,0,1,0,0|1,0,1]=4 20018 B12R1.121 CCCCN1CCCCC1CC 34a_100000210034_100000210210 [1,0,0,1,0,0|1,0,1]=4 20019 B12R1.121 CCCCN1CCCCC1CO 2230a_100000210821_100000210211 [1,0,0,1,0,0|1,0,1]=4 20020 B12R1.121 CCCCN1CCCCC1CO 269982a_100000210821_100000210211 [1,0,0,1,0,0|1,0,1]=4 20021 B12R1.121 CCCCN1CCCCC1CO 34a_100000210821_100000210210 [1,0,0,1,0,0|1,0,1]=4 20022 B12R1.121 CCCNC1CCCCC1CC 269862a_100020643023_100000757040 [1,0,0,1,0,0|1,0,1]=4 20023 B12R1.121 CCCNC1CCCCC1CC 270004a_100020643023_100000757040 [1,0,0,1,0,0|1,0,1]=4 20024 B12R1.121 CCCNC1CCCCC1CO 270004a_100020643023_100009861125 [1,0,0,1,0,0|1,0,1]=4 20025 B12R1.121 CCCOC1CCCCC1CC 34a_100000210738_100000210303 [1,0,0,1,0,0|1,0,1]=4 20026 B12R1.121 CCCOC1CCCCC1CC 7a_100000210738_100000210303 [1,0,0,1,0,0|1,0,1]=4 20027 B12R1.121 CCCOC1CCCCC1CN 34a_100011216029_100000210303 [1,0,0,1,0,0|2,0,0]=4 20028 B12R1.121 CCN1CCCCC1CCCO 2230a_100011934581_100000210202 [1,0,0,1,0,0|1,0,1]=4 20029 B12R1.121 CCN1CCCCC1CCCO 269982a_100011934581_100000204670 [1,0,0,1,0,0|1,0,1]=4 20030 B12R1.121 CCN1CCCCC1CCCO 34a_100011934581_100000210202 [1,0,0,1,0,0|1,0,1]=4 20031 B12R1.121 CN[C@@H]1CCCC[C@H]1OCC=O 34a_100000708425_200009817547 [1,0,0,1,0,0|2,0,0]=4 20032 B12R1.121 COC1CCCCC1NCC=O 34a_100011208099_200009817547 [1,0,0,1,0,0|2,0,0]=4 20033 B12R1.121 CO[C@H]1CCCC[C@@H]1OCC=O 34a_200009815850_200009817547 [1,0,0,1,0,0|2,0,0]=4 20034 B12R1.121 CO[C@H]1CCCC[C@@H]1OCC=O 7a_200009815850_200015260668 [1,0,0,1,0,0|2,0,0]=4 20035 B12R1.121 NCC1CCCCC1OCC=O 34a_100011216029_200009817547 [1,0,0,1,0,0|2,0,0]=4 20036 B12R1.169 C=CCC1CCCCC1NCC 269862a_100015525214_100011214939 [1,0,0,1,0,0|1,0,1]=4 20037 B12R1.169 C=CCC1CCCCC1NCC 270004a_100015525214_100011214939 [1,0,0,1,0,0|1,0,1]=4 20038 B12R1.169 C=CCN1CCCCC1CCC 2230a_100000701414_100000210623 [1,0,0,1,0,0|1,0,1]=4 20039 B12R1.169 C=CCN1CCCCC1CCC 269982a_100000701414_100000210623 [1,0,0,1,0,0|1,0,1]=4 20040 B12R1.169 C=CCN1CCCCC1CCC 34a_100000701414_100015514636 [1,0,0,1,0,0|1,0,1]=4 20041 B12R1.169 CCCC1CCCCC1NCC 269862a_100015525214_100011218038 [1,0,0,1,0,0|1,0,1]=4 20042 B12R1.169 CCCC1CCCCC1NCC 270004a_100015525214_100011218038 [1,0,0,1,0,0|1,0,1]=4 20043 B12R1.169 CCCC1CCCCC1OCC 34a_100011217265_100000210202 [1,0,0,1,0,0|1,0,1]=4 20044 B12R1.169 CCCC1CCCCC1OCC 7a_100011217265_100000210202 [1,0,0,1,0,0|1,0,1]=4 20045 B12R1.169 CCCC1CCCCC1OCF 34a_100011217265_100015361967 [1,0,0,1,0,0|2,0,0]=4 20046 B12R1.169 CCCC1CCCCC1OCF 7a_100011217265_100015361967 [1,0,0,1,0,0|2,0,0]=4 20047 B12R1.169 CCCC1CCCCN1CC=O 2230a_100000701414_200015260668 [1,0,0,1,0,0|1,0,0]=3 20048 B12R1.169 CCCC1CCCCN1CC=O 269982a_100000701414_200015260668 [1,0,0,1,0,0|1,0,0]=3 20049 B12R1.169 CCCC1CCCCN1CC=O 34a_100000701414_200009817547 [1,0,0,1,0,0|1,0,0]=3 20050 B12R1.169 CCCC1CCCCN1CCC 2230a_100000701414_100000210303 [1,0,0,1,0,0|1,0,1]=4 20051 B12R1.169 CCCC1CCCCN1CCC 269982a_100000701414_100000210303 [1,0,0,1,0,0|1,0,1]=4 20052 B12R1.169 CCCC1CCCCN1CCC 34a_100000701414_100000210303 [1,0,0,1,0,0|1,0,1]=4 20053 B12R1.169 CCCC1CCCCN1CCF 2230a_100000701414_100011217306 [1,0,0,1,0,0|2,0,0]=4 20054 B12R1.169 CCCC1CCCCN1CCF 269982a_100000701414_100011217306 [1,0,0,1,0,0|2,0,0]=4 20055 B12R1.169 CCCC1CCCCN1CCF 34a_100000701414_100011217306 [1,0,0,1,0,0|2,0,0]=4 20056 B12R1.169 CCCC1CCCCN1CCO 2230a_100000701414_100000211926 [1,0,0,1,0,0|1,0,1]=4 20057 B12R1.169 CCCC1CCCCN1CCO 269982a_100000701414_100000211926 [1,0,0,1,0,0|1,0,1]=4 20058 B12R1.169 CCCC1CCCCN1CCO 34a_100000701414_100000211926 [1,0,0,1,0,0|1,0,1]=4 20059 B12R1.169 CCCC1COCCN1CC=O 2230a_102495339903_200015260668 [1,0,0,1,0,0|2,0,0]=4 20060 B12R1.169 CCCC1COCCN1CC=O 269982a_102495339903_200015260668 [1,0,0,1,0,0|2,0,0]=4 20061 B12R1.169 CCCC1COCCN1CC=O 34a_102495339903_200009817547 [1,0,0,1,0,0|2,0,0]=4 20062 B12R1.169 CCCN1CCCCC1CCO 2230a_100000211664_100000210303 [1,0,0,1,0,0|1,0,1]=4 20063 B12R1.169 CCCN1CCCCC1CCO 269982a_100000211664_100000210303 [1,0,0,1,0,0|1,0,1]=4 20064 B12R1.169 CCCN1CCCCC1CCO 34a_100000211664_100000210303 [1,0,0,1,0,0|1,0,1]=4 20065 B12R1.169 COCC1CCCCN1CC=O 2230a_100015184032_200015260668 [1,0,0,1,0,0|2,0,0]=4 20066 B12R1.169 COCC1CCCCN1CC=O 269982a_100015184032_200015260668 [1,0,0,1,0,0|2,0,0]=4 20067 B12R1.169 COCC1CCCCN1CC=O 34a_100015184032_200009817547 [1,0,0,1,0,0|2,0,0]=4 20068 B12R1.169 O=CCN1CCCCC1CCO 2230a_100000211664_200015260668 [1,0,0,1,0,0|2,0,0]=4 20069 B12R1.169 O=CCN1CCCCC1CCO 269982a_100000211664_200015260668 [1,0,0,1,0,0|2,0,0]=4 20070 B12R1.169 O=CCN1CCCCC1CCO 34a_100000211664_200009817547 [1,0,0,1,0,0|2,0,0]=4 20071 B12R1.173 C=CCN1CCCCCCCC1 2230a_100000039187_100000210623 [1,0,0,1,0,0|1,0,1]=4 20072 B12R1.173 C=CCN1CCCCCCCC1 269982a_100000039187_100000210623 [1,0,0,1,0,0|1,0,1]=4 20073 B12R1.173 C=CCN1CCCCCCCC1 34a_100000039187_100015514636 [1,0,0,1,0,0|1,0,1]=4 20074 B12R1.173 CCCN1CCCCCCCC1 2230a_100000039187_100000210303 [1,0,0,1,0,0|1,0,1]=4 20075 B12R1.173 CCCN1CCCCCCCC1 269982a_100000039187_100000210303 [1,0,0,1,0,0|1,0,1]=4 20076 B12R1.173 CCCN1CCCCCCCC1 34a_100000039187_100000210303 [1,0,0,1,0,0|1,0,1]=4 20077 B12R1.173 CCNC1CCCCCCCC1 270004a_100015525214_100000038600 [1,0,0,1,0,0|1,0,1]=4 20078 B12R1.173 FCCN1CCCCCCCC1 2230a_100000039187_100011217306 [1,0,0,1,0,0|2,0,0]=4 20079 B12R1.173 FCCN1CCCCCCCC1 269982a_100000039187_100011217306 [1,0,0,1,0,0|2,0,0]=4 20080 B12R1.173 FCCN1CCCCCCCC1 34a_100000039187_100011217306 [1,0,0,1,0,0|2,0,0]=4 20081 B12R1.173 O=CCN1CCCCCCCC1 2230a_100000039187_200015260668 [1,0,0,1,0,0|1,0,0]=3 20082 B12R1.173 O=CCN1CCCCCCCC1 269982a_100000039187_200015260668 [1,0,0,1,0,0|1,0,0]=3 20083 B12R1.173 O=CCN1CCCCCCCC1 34a_100000039187_200009817547 [1,0,0,1,0,0|1,0,0]=3 20084 B12R1.173 OCCN1CCCCCCCC1 2230a_100000039187_100000211926 [1,0,0,1,0,0|1,0,1]=4 20085 B12R1.173 OCCN1CCCCCCCC1 269982a_100000039187_100000211926 [1,0,0,1,0,0|1,0,1]=4 20086 B12R1.173 OCCN1CCCCCCCC1 34a_100000039187_100000211926 [1,0,0,1,0,0|1,0,1]=4 20087 B12R1.267 C=CCCCN1CCCCC1C 2230a_100000211376_100011713584 [1,0,0,1,0,0|1,0,1]=4 20088 B12R1.267 C=CCCCN1CCCCC1C 269982a_100000211376_100000757094 [1,0,0,1,0,0|1,0,1]=4 20089 B12R1.267 C=CCCCN1CCCCC1C 34a_100000211376_100000757094 [1,0,0,1,0,0|1,0,1]=4 20090 B12R1.267 C=CCCNC1CCCCC1C 2230a_100000211402_100000754431 [1,0,0,1,0,0|1,0,1]=4 20091 B12R1.267 C=CCCNC1CCCCC1C 269862a_100015191253_100000210921 [1,0,0,1,0,0|1,0,1]=4 20092 B12R1.267 C=CCCNC1CCCCC1C 270004a_100015191253_100000210921 [1,0,0,1,0,0|1,0,1]=4 20093 B12R1.267 C=CCCNC1CCCCC1C 34a_100000211402_100000754431 [1,0,0,1,0,0|1,0,1]=4 20094 B12R1.267 C=CCCOC1CCCCC1C 34a_100000211207_100000754431 [1,0,0,1,0,0|1,0,1]=4 20095 B12R1.267 C=CCCOC1CCCCC1C 7a_100000211207_100000754431 [1,0,0,1,0,0|1,0,1]=4 20096 B12R1.267 CC1CCCCC1NCCCF 2230a_100000211402_100011934791 [1,0,0,1,0,0|2,0,0]=4 20097 B12R1.267 CC1CCCCC1NCCCF 269862a_100015189416_100000210921 [1,0,0,1,0,0|2,0,0]=4 20098 B12R1.267 CC1CCCCC1NCCCF 270004a_100015189416_100000210921 [1,0,0,1,0,0|2,0,0]=4 20099 B12R1.267 CC1CCCCC1NCCCF 34a_100000211402_100011934791 [1,0,0,1,0,0|2,0,0]=4 20100 B12R1.267 CC1CCCCC1NCCCO 2230a_100000211402_100000230001 [1,0,0,1,0,0|1,0,1]=4 20101 B12R1.267 CC1CCCCC1NCCCO 269862a_100000182051_100000210921 [1,0,0,1,0,0|1,0,1]=4 20102 B12R1.267 CC1CCCCC1NCCCO 270004a_100000182051_100000210921 [1,0,0,1,0,0|1,0,1]=4 20103 B12R1.267 CC1CCCCC1NCCCO 34a_100000211402_100000230001 [1,0,0,1,0,0|1,0,1]=4 20104 B12R1.267 CC1CCCCC1OCCCF 34a_100000211207_100011934791 [1,0,0,1,0,0|2,0,0]=4 20105 B12R1.267 CC1CCCCC1OCCCF 7a_100000211207_100011934791 [1,0,0,1,0,0|2,0,0]=4 20106 B12R1.267 CC1CCCCC1OCCCO 34a_100000211207_100000230001 [1,0,0,1,0,0|1,0,1]=4 20107 B12R1.267 CC1CCCCC1OCCCO 7a_100000211207_100011215043 [1,0,0,1,0,0|1,0,1]=4 20108 B12R1.267 CC1CCCCN1CCCC=O 2230a_100000211376_200011292268 [1,0,0,1,0,0|1,0,0]=3 20109 B12R1.267 CC1CCCCN1CCCC=O 269982a_100000211376_200011292268 [1,0,0,1,0,0|1,0,0]=3 20110 B12R1.267 CC1CCCCN1CCCCF 2230a_100000211376_100000729493 [1,0,0,1,0,0|2,0,0]=4 20111 B12R1.267 CC1CCCCN1CCCCF 269982a_100000211376_100000729493 [1,0,0,1,0,0|2,0,0]=4 20112 B12R1.267 CC1CCCCN1CCCCF 34a_100000211376_100000729493 [1,0,0,1,0,0|2,0,0]=4 20113 B12R1.267 CC1CCCCN1CCCCO 2230a_100000211376_100000210776 [1,0,0,1,0,0|1,0,1]=4 20114 B12R1.267 CC1CCCCN1CCCCO 269982a_100000211376_100000210776 [1,0,0,1,0,0|1,0,1]=4 20115 B12R1.267 CC1CCCCN1CCCCO 34a_100000211376_100011216708 [1,0,0,1,0,0|1,0,1]=4 20116 B12R1.267 CCCCCN1CCCCC1C 2230a_100000211376_100000210326 [1,0,0,1,0,0|1,0,1]=4 20117 B12R1.267 CCCCCN1CCCCC1C 269982a_100000211376_100000210215 [1,0,0,1,0,0|1,0,1]=4 20118 B12R1.267 CCCCCN1CCCCC1C 34a_100000211376_100000718602 [1,0,0,1,0,0|1,0,1]=4 20119 B12R1.267 CCCCNC1CCCCC1=O 7a_106832991798_100000204591 [1,0,0,1,0,0|1,0,0]=3 20120 B12R1.267 CCCCNC1CCCCC1C 2230a_100000211402_100000210211 [1,0,0,1,0,0|1,0,1]=4 20121 B12R1.267 CCCCNC1CCCCC1C 269862a_100000102301_100000210921 [1,0,0,1,0,0|1,0,1]=4 20122 B12R1.267 CCCCNC1CCCCC1C 270004a_100000102301_100000210921 [1,0,0,1,0,0|1,0,1]=4 20123 B12R1.267 CCCCNC1CCCCC1C 34a_100000211402_100000210210 [1,0,0,1,0,0|1,0,1]=4 20124 B12R1.267 CCCCNC1CCCNC1=O 2230a_100000102301_100000687798 [1,0,0,1,0,0|2,0,0]=4 20125 B12R1.267 CCCCNC1CCCNC1=O 2230a_100000747585_100000210211 [1,0,0,1,0,0|2,0,0]=4 20126 B12R1.267 CCCCNC1CCCNC1=O 34a_100000747585_100000210210 [1,0,0,1,0,0|2,0,0]=4 20127 B12R1.267 CCCCNC1CCCNC1=O 7a_106832991798_100000687798 [1,0,0,1,0,0|2,0,0]=4 20128 B12R1.267 CCCCNC1COCCC1=O 7a_106832991798_100012180262 [1,0,0,1,0,0|2,0,0]=4 20129 B12R1.267 CCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210211 [1,0,0,1,0,0|2,0,0]=4 20130 B12R1.267 CCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210210 [1,0,0,1,0,0|2,0,0]=4 20131 B12R1.267 CCCCOC1CCCCC1=O 34a_100000210227_100000754470 [1,0,0,1,0,0|1,0,0]=3 20132 B12R1.267 CCCCOC1CCCCC1=O 34a_100011214950_100000210210 [1,0,0,1,0,0|1,0,0]=3 20133 B12R1.267 CCCCOC1CCCCC1=O 7a_100000210227_100000204591 [1,0,0,1,0,0|1,0,0]=3 20134 B12R1.267 CCCCOC1CCCCC1C 34a_100000211207_100000210210 [1,0,0,1,0,0|1,0,1]=4 20135 B12R1.267 CCCCOC1CCCCC1C 7a_100000211207_100000210211 [1,0,0,1,0,0|1,0,1]=4 20136 B12R1.267 CCCCOC1CCCCC1Cl 34a_100000038908_100000210210 [1,0,0,1,0,0|2,0,0]=4 20137 B12R1.267 CCCCOC1CCCCC1Cl 7a_100000038908_100000210211 [1,0,0,1,0,0|2,0,0]=4 20138 B12R1.267 CCCCOC1CCCCC1F 34a_100000210227_100015423560 [1,0,0,1,0,0|2,0,0]=4 20139 B12R1.267 CCCCOC1CCCCC1O 34a_100000210227_100000038908 [1,0,0,1,0,0|1,0,1]=4 20140 B12R1.267 CCCCOC1CCCNC1=O 34a_100000073722_100000210210 [1,0,0,1,0,0|2,0,0]=4 20141 B12R1.267 CCCCOC1CCCNC1=O 34a_100000210227_100000687798 [1,0,0,1,0,0|2,0,0]=4 20142 B12R1.267 CCCCOC1CCCNC1=O 7a_100000210227_100000687798 [1,0,0,1,0,0|2,0,0]=4 20143 B12R1.267 CCCCOC1COCCC1=O 34a_100000210227_100012180262 [1,0,0,1,0,0|2,0,0]=4 20144 B12R1.267 CCCCOC1COCCC1=O 7a_100000210227_100012180262 [1,0,0,1,0,0|2,0,0]=4 20145 B12R1.267 CCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210210 [1,0,0,1,0,0|2,0,0]=4 20146 B12R1.267 CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210211 [1,0,0,1,0,0|2,0,0]=4 20147 B12R1.267 CCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210210 [1,0,0,1,0,0|2,0,0]=4 20148 B12R1.267 CCCCSC1CCCCC1=O 62a_100000204591_100000210210 [1,0,0,1,0,0|1,0,0]=3 20149 B12R1.267 CCCCSC1CCCCC1=O 62a_100000210211_100000204591 [1,0,0,1,0,0|1,0,0]=3 20150 B12R1.267 CCCCSC1CCCCC1F 62a_100000210211_100015423560 [1,0,0,1,0,0|2,0,0]=4 20151 B12R1.267 CCCCSC1CCCCC1F 62a_100015423560_100000210210 [1,0,0,1,0,0|2,0,0]=4 20152 B12R1.267 CCCCSC1CCCCC1O 62a_100000038908_100000210210 [1,0,0,1,0,0|1,0,1]=4 20153 B12R1.267 CCCCSC1CCCCC1O 62a_100000210211_100000038908 [1,0,0,1,0,0|1,0,1]=4 20154 B12R1.267 CCCCSC1CCCNC1=O 62a_100000210211_100000687798 [1,0,0,1,0,0|2,0,0]=4 20155 B12R1.267 CCCCSC1CCCNC1=O 62a_100000687798_100000210210 [1,0,0,1,0,0|2,0,0]=4 20156 B12R1.267 CCCCSC1COCCC1=O 62a_100000210211_100012180262 [1,0,0,1,0,0|2,0,0]=4 20157 B12R1.267 CCCCSC1COCCC1=O 62a_100012180262_100000210210 [1,0,0,1,0,0|2,0,0]=4 20158 B12R1.267 CCCNCC1CCCCC1O 34a_100011216029_100000210303 [1,0,0,1,0,0|1,0,1]=4 20159 B12R1.267 CCCOCC1CCCCC1=O 34a_100009861125_100000210303 [1,0,0,1,0,0|1,0,0]=3 20160 B12R1.267 CCCOCC1CCCCC1=O 7a_100009861125_100000210303 [1,0,0,1,0,0|1,0,0]=3 20161 B12R1.267 CCNCCN1CCCCC1=O 2230a_100160573077_100000210202 [1,0,0,1,0,0|2,0,0]=4 20162 B12R1.267 CCNCCN1CCCCC1=O 34a_100160573077_100000210202 [1,0,0,1,0,0|2,0,0]=4 20163 B12R1.267 CCOCSC1CCCCC1=O 62a_100000204591_100000739092 [1,0,0,1,0,0|2,0,0]=4 20164 B12R1.267 CCOCSC1CCCCC1=O 62a_100000739092_100000204591 [1,0,0,1,0,0|2,0,0]=4 20165 B12R1.267 CN1CCCCC1CNCC=O 34a_100011228421_200009817547 [1,0,0,1,0,0|2,0,0]=4 20166 B12R1.267 CN1CCCCC1COCC=O 34a_100000225079_200009817547 [1,0,0,1,0,0|2,0,0]=4 20167 B12R1.267 CN1CCCCC1CSCC=O 62a_100015185383_200015260668 [1,0,0,1,0,0|2,0,0]=4 20168 B12R1.267 CN1CCCCC1CSCC=O 62a_200015260668_100015185383 [1,0,0,1,0,0|2,0,0]=4 20169 B12R1.267 COCCOC1CCCCC1=O 34a_100000210237_100000754470 [1,0,0,1,0,0|2,0,0]=4 20170 B12R1.267 COCCOC1CCCCC1=O 34a_100011214950_100011201679 [1,0,0,1,0,0|2,0,0]=4 20171 B12R1.267 COCCSC1CCCCC1=O 62a_100000204591_100000233755 [1,0,0,1,0,0|2,0,0]=4 20172 B12R1.267 COCCSC1CCCCC1=O 62a_100000233755_100000204591 [1,0,0,1,0,0|2,0,0]=4 20173 B12R1.267 CSCCOC1CCCCC1=O 34a_100000230434_100000754470 [1,0,0,1,0,0|2,0,0]=4 20174 B12R1.267 CSCCOC1CCCCC1=O 34a_100011214950_100000212216 [1,0,0,1,0,0|2,0,0]=4 20175 B12R1.267 CSCCOC1CCCCC1=O 7a_100000230434_100000204591 [1,0,0,1,0,0|2,0,0]=4 20176 B12R1.267 CSCCSC1CCCCC1=O 62a_100000204591_100000751147 [1,0,0,1,0,0|2,0,0]=4 20177 B12R1.267 CSCCSC1CCCCC1=O 62a_100000212216_100000204591 [1,0,0,1,0,0|2,0,0]=4 20178 B12R1.267 CSCOCC1CCCCC1=O 34a_100009861125_100011218213 [1,0,0,1,0,0|2,0,0]=4 20179 B12R1.267 C[C@H]1COCCN1CCCC=O 2230a_100009815349_200011292268 [1,0,0,1,0,0|2,0,0]=4 20180 B12R1.267 C[C@H]1COCCN1CCCC=O 269982a_100009815349_200011292268 [1,0,0,1,0,0|2,0,0]=4 20181 B12R1.267 NCCCOC1CCCCC1=O 34a_100000182051_100000754470 [1,0,0,1,0,0|2,0,0]=4 20182 B12R1.267 O=C1CCCCC1COCCF 34a_100009861125_100011217306 [1,0,0,1,0,0|2,0,0]=4 20183 B12R1.267 O=C1CCCCC1COCCF 7a_100009861125_100011217306 [1,0,0,1,0,0|2,0,0]=4 20184 B12R1.267 O=C1CCCCC1COCCO 34a_100009861125_100000211926 [1,0,0,1,0,0|2,0,0]=4 20185 B12R1.267 O=C1CCCCC1COCCO 7a_100009861125_100000211926 [1,0,0,1,0,0|2,0,0]=4 20186 B12R1.267 O=C1CCCCC1NCCCF 34a_100015189416_100000754470 [1,0,0,1,0,0|2,0,0]=4 20187 B12R1.267 O=C1CCCCC1OCCCBr 34a_100011217188_100000754470 [1,0,0,1,0,0|2,0,0]=4 20188 B12R1.267 O=C1CCCCC1OCCCCl 34a_100000230001_100000754470 [1,0,0,1,0,0|2,0,0]=4 20189 B12R1.267 O=C1CCCCC1OCCCF 34a_100000759539_100000754470 [1,0,0,1,0,0|2,0,0]=4 20190 B12R1.267 O=C1CCCCC1OCCCF 34a_100011214950_100011934791 [1,0,0,1,0,0|2,0,0]=4 20191 B12R1.267 O=C1CCCCC1OCCCO 34a_100011214950_100000230001 [1,0,0,1,0,0|2,0,0]=4 20192 B12R1.267 O=C1CCCCC1SCCCF 62a_100000204591_100011934791 [1,0,0,1,0,0|2,0,0]=4 20193 B12R1.267 O=C1CCCCC1SCCCF 62a_100011934791_100000204591 [1,0,0,1,0,0|2,0,0]=4 20194 B12R1.267 O=C1CCCCC1SCCCO 62a_100000204591_100011215043 [1,0,0,1,0,0|2,0,0]=4 20195 B12R1.267 O=C1CCCCC1SCCCO 62a_100011215043_100000204591 [1,0,0,1,0,0|2,0,0]=4 20196 B12R1.267 O=CCNCC1CCCCC1O 34a_100011216029_200009817547 [1,0,0,1,0,0|2,0,0]=4 20197 B12R1.271 C=CCCCCOCC1CC1C 34a_100000744939_100011215482 [1,0,0,1,0,0|1,0,1]=4 20198 B12R1.271 C=CCCCCOCC1CC1C 7a_100000744939_100011215482 [1,0,0,1,0,0|1,0,1]=4 20199 B12R1.271 CC1CC1COCCCCC=O 7a_100000744939_100000139335 [1,0,0,1,0,0|1,0,0]=3 20200 B12R1.271 CC1CC1COCCCCCF 34a_100000744939_100000729378 [1,0,0,1,0,0|2,0,0]=4 20201 B12R1.271 CC1CC1COCCCCCF 7a_100000744939_100000729378 [1,0,0,1,0,0|2,0,0]=4 20202 B12R1.271 CC1CC1COCCCCCO 34a_100000744939_100000746330 [1,0,0,1,0,0|1,0,1]=4 20203 B12R1.271 CC1CC1COCCCCCO 7a_100000744939_100000746330 [1,0,0,1,0,0|1,0,1]=4 20204 B12R1.271 CCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210681 [1,0,0,1,0,0|2,0,0]=4 20205 B12R1.271 CCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210681 [1,0,0,1,0,0|2,0,0]=4 20206 B12R1.271 CCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210614 [1,0,0,1,0,0|2,0,0]=4 20207 B12R1.271 CCCCCCOCC1CC1C 34a_100000744939_100000210314 [1,0,0,1,0,0|1,0,1]=4 20208 B12R1.271 CCCCCCOCC1CC1C 7a_100000744939_100000210314 [1,0,0,1,0,0|1,0,1]=4 20209 B12R1.271 O=CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000139337 [1,0,0,1,0,0|2,0,0]=4 20210 B12R1.271 O=CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000139337 [1,0,0,1,0,0|2,0,0]=4 20211 B12R1.272 BrCCCCCCOC1CCC1 34a_100011215345_100000749161 [1,0,0,1,0,0|2,0,0]=4 20212 B12R1.272 BrCCCCCOCC1CCC1 34a_100000746331_100000763275 [1,0,0,1,0,0|2,0,0]=4 20213 B12R1.272 BrCCCCCOCC1CCC1 7a_100000746331_100000763275 [1,0,0,1,0,0|2,0,0]=4 20214 B12R1.272 C=CCCCCCCN1CCC1 269982a_100000754969_100011215473 [1,0,0,1,0,0|1,0,1]=4 20215 B12R1.272 C=CCCCCCNC1CCC1 2230a_100000749019_100000700193 [1,0,0,1,0,0|1,0,1]=4 20216 B12R1.272 C=CCCCCCNC1CCC1 34a_100000749019_100000700193 [1,0,0,1,0,0|1,0,1]=4 20217 B12R1.272 C=CCCCCCOC1CCC1 34a_100000748187_100000700193 [1,0,0,1,0,0|1,0,1]=4 20218 B12R1.272 C=CCCCCCOC1CCC1 34a_100011216702_100000749161 [1,0,0,1,0,0|1,0,1]=4 20219 B12R1.272 C=CCCCCCSC1CCC1 62a_100000700193_100000749161 [1,0,0,1,0,0|1,0,1]=4 20220 B12R1.272 C=CCCCCNCC1CCC1 2230a_100000703577_100000763275 [1,0,0,1,0,0|1,0,1]=4 20221 B12R1.272 C=CCCCCNCC1CCC1 2230a_100000738700_100011215482 [1,0,0,1,0,0|1,0,1]=4 20222 B12R1.272 C=CCCCCNCC1CCC1 269862a_100000703577_100000753134 [1,0,0,1,0,0|1,0,1]=4 20223 B12R1.272 C=CCCCCNCC1CCC1 34a_100000703577_100000763275 [1,0,0,1,0,0|1,0,1]=4 20224 B12R1.272 C=CCCCCNCC1CCC1 34a_100000738700_100011215482 [1,0,0,1,0,0|1,0,1]=4 20225 B12R1.272 C=CCCCCOCC1CCC1 34a_100000760304_100011215482 [1,0,0,1,0,0|1,0,1]=4 20226 B12R1.272 C=CCCCCOCC1CCC1 34a_100000766645_100000763275 [1,0,0,1,0,0|1,0,1]=4 20227 B12R1.272 C=CCCCCOCC1CCC1 7a_100000766645_100000763275 [1,0,0,1,0,0|1,0,1]=4 20228 B12R1.272 C=CCCCCSCC1CCC1 62a_100000763275_100011215482 [1,0,0,1,0,0|1,0,1]=4 20229 B12R1.272 C=CCCCCSCC1CCC1 62a_100011215482_100000763275 [1,0,0,1,0,0|1,0,1]=4 20230 B12R1.272 CCCCCCCCN1CCC1 269982a_100000754969_100000210759 [1,0,0,1,0,0|1,0,1]=4 20231 B12R1.272 CCCCCCCNC1CCC1 2230a_100000749019_100000210681 [1,0,0,1,0,0|1,0,1]=4 20232 B12R1.272 CCCCCCCNC1CCC1 270004a_100000229938_100000241760 [1,0,0,1,0,0|1,0,1]=4 20233 B12R1.272 CCCCCCCNC1CCC1 34a_100000749019_100000210614 [1,0,0,1,0,0|1,0,1]=4 20234 B12R1.272 CCCCCCCOC1CCC1 34a_100000210272_100000749161 [1,0,0,1,0,0|1,0,1]=4 20235 B12R1.272 CCCCCCCOC1CCC1 34a_100000748187_100000210614 [1,0,0,1,0,0|1,0,1]=4 20236 B12R1.272 CCCCCCCSC1CCC1 62a_100000210614_100000749161 [1,0,0,1,0,0|1,0,1]=4 20237 B12R1.272 CCCCCCNCC1CCC1 2230a_100000210581_100000763275 [1,0,0,1,0,0|1,0,1]=4 20238 B12R1.272 CCCCCCNCC1CCC1 2230a_100000738700_100000210314 [1,0,0,1,0,0|1,0,1]=4 20239 B12R1.272 CCCCCCNCC1CCC1 269862a_100000210581_100000753134 [1,0,0,1,0,0|1,0,1]=4 20240 B12R1.272 CCCCCCNCC1CCC1 34a_100000738700_100000210314 [1,0,0,1,0,0|1,0,1]=4 20241 B12R1.272 CCCCCCNCC1CCO1 2230a_100000210581_100000103362 [1,0,0,1,0,0|1,0,1]=4 20242 B12R1.272 CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210314 [1,0,0,1,0,0|1,0,1]=4 20243 B12R1.272 CCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210314 [1,0,0,1,0,0|1,0,1]=4 20244 B12R1.272 CCCCCCOCC1CCC1 34a_100000210259_100000763275 [1,0,0,1,0,0|1,0,1]=4 20245 B12R1.272 CCCCCCOCC1CCC1 34a_100000760304_100000210314 [1,0,0,1,0,0|1,0,1]=4 20246 B12R1.272 CCCCCCOCC1CCC1 7a_100000210259_100000763275 [1,0,0,1,0,0|1,0,1]=4 20247 B12R1.272 CCCCCCOCC1CCO1 34a_100000039022_100000210314 [1,0,0,1,0,0|1,0,1]=4 20248 B12R1.272 CCCCCCOCC1CCO1 34a_100000210259_100000103362 [1,0,0,1,0,0|1,0,1]=4 20249 B12R1.272 CCCCCCOCC1CCO1 7a_100000210259_100000103362 [1,0,0,1,0,0|1,0,1]=4 20250 B12R1.272 CCCCCCSCC1CCC1 62a_100000210314_100000763275 [1,0,0,1,0,0|1,0,1]=4 20251 B12R1.272 CCCCCCSCC1CCC1 62a_100000763275_100000210757 [1,0,0,1,0,0|1,0,1]=4 20252 B12R1.272 CCCCCCSCC1CCO1 62a_100000103362_100000210757 [1,0,0,1,0,0|1,0,1]=4 20253 B12R1.272 CCCCCCSCC1CCO1 62a_100000210314_100000103362 [1,0,0,1,0,0|1,0,1]=4 20254 B12R1.272 ClCCCCCCOC1CCC1 34a_100000766143_100000749161 [1,0,0,1,0,0|2,0,0]=4 20255 B12R1.272 ClCCCCCOCC1CCC1 34a_100000746330_100000763275 [1,0,0,1,0,0|2,0,0]=4 20256 B12R1.272 ClCCCCCOCC1CCC1 7a_100000746330_100000763275 [1,0,0,1,0,0|2,0,0]=4 20257 B12R1.272 FCCCCCCNC1CCC1 2230a_100000749019_100015922095 [1,0,0,1,0,0|2,0,0]=4 20258 B12R1.272 FCCCCCCNC1CCC1 34a_100000749019_100015922095 [1,0,0,1,0,0|2,0,0]=4 20259 B12R1.272 FCCCCCCOC1CCC1 34a_100000732779_100000749161 [1,0,0,1,0,0|2,0,0]=4 20260 B12R1.272 FCCCCCCOC1CCC1 34a_100000748187_100015922095 [1,0,0,1,0,0|2,0,0]=4 20261 B12R1.272 FCCCCCCSC1CCC1 62a_100015922095_100000749161 [1,0,0,1,0,0|2,0,0]=4 20262 B12R1.272 FCCCCCNCC1CCC1 2230a_100000738700_100000729378 [1,0,0,1,0,0|2,0,0]=4 20263 B12R1.272 FCCCCCNCC1CCC1 34a_100000738700_100000729378 [1,0,0,1,0,0|2,0,0]=4 20264 B12R1.272 FCCCCCOCC1CCC1 34a_100000760304_100000729378 [1,0,0,1,0,0|2,0,0]=4 20265 B12R1.272 FCCCCCSCC1CCC1 62a_100000729378_100000763275 [1,0,0,1,0,0|2,0,0]=4 20266 B12R1.272 FCCCCCSCC1CCC1 62a_100000763275_100000729378 [1,0,0,1,0,0|2,0,0]=4 20267 B12R1.272 ICCCCCOCC1CCC1 34a_200012148887_100000763275 [1,0,0,1,0,0|2,0,0]=4 20268 B12R1.272 ICCCCCOCC1CCC1 7a_200012148887_100000763275 [1,0,0,1,0,0|2,0,0]=4 20269 B12R1.272 NCCCCCCOC1CCC1 34a_100000686447_100000749161 [1,0,0,1,0,0|2,0,0]=4 20270 B12R1.272 NCCCCCOCC1CCC1 34a_100000762737_100000763275 [1,0,0,1,0,0|2,0,0]=4 20271 B12R1.272 O=CCCCCCNC1CCC1 2230a_100000749019_100000139337 [1,0,0,1,0,0|1,0,0]=3 20272 B12R1.272 O=CCCCCCNC1COC1 2230a_100016991112_100000139337 [1,0,0,1,0,0|2,0,0]=4 20273 B12R1.272 O=CCCCCCOC1CSC1 7a_100000072292_100000139337 [1,0,0,1,0,0|2,0,0]=4 20274 B12R1.272 O=CCCCCCSC1CCC1 62a_100000139337_100000749161 [1,0,0,1,0,0|1,0,0]=3 20275 B12R1.272 O=CCCCCCSC1COC1 62a_100000139337_100009818527 [1,0,0,1,0,0|2,0,0]=4 20276 B12R1.272 O=CCCCCNCC1CCC1 2230a_100000738700_100000139335 [1,0,0,1,0,0|1,0,0]=3 20277 B12R1.272 O=CCCCCNCC1COC1 2230a_100015281925_100000139335 [1,0,0,1,0,0|2,0,0]=4 20278 B12R1.272 O=CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000139335 [1,0,0,1,0,0|2,0,0]=4 20279 B12R1.272 O=CCCCCSCC1CCC1 62a_100000139335_100000763275 [1,0,0,1,0,0|1,0,0]=3 20280 B12R1.272 O=CCCCCSCC1CCC1 62a_100000763275_100000139335 [1,0,0,1,0,0|1,0,0]=3 20281 B12R1.272 O=CCCCCSCC1CCO1 62a_100000103362_100000139335 [1,0,0,1,0,0|2,0,0]=4 20282 B12R1.272 O=CCCCCSCC1CCO1 62a_100000139335_100000103362 [1,0,0,1,0,0|2,0,0]=4 20283 B12R1.272 O=CCCCCSCC1COC1 62a_100000139335_100010264016 [1,0,0,1,0,0|2,0,0]=4 20284 B12R1.272 O=CCCCCSCC1COC1 62a_100010264016_100000139335 [1,0,0,1,0,0|2,0,0]=4 20285 B12R1.272 OCCCCCCCN1CCC1 269982a_100000754969_100000760002 [1,0,0,1,0,0|1,0,1]=4 20286 B12R1.272 OCCCCCCNC1CCC1 2230a_100000749019_100000766143 [1,0,0,1,0,0|1,0,1]=4 20287 B12R1.272 OCCCCCCNC1CCC1 270004a_100000686447_100000241760 [1,0,0,1,0,0|1,0,1]=4 20288 B12R1.272 OCCCCCCNC1CCC1 34a_100000686447_100000749161 [1,0,0,1,0,0|1,0,1]=4 20289 B12R1.272 OCCCCCCNC1CCC1 34a_100000749019_100000766143 [1,0,0,1,0,0|1,0,1]=4 20290 B12R1.272 OCCCCCCOC1CCC1 34a_100000748187_100000766143 [1,0,0,1,0,0|1,0,1]=4 20291 B12R1.272 OCCCCCCSC1CCC1 62a_100000766143_100000749161 [1,0,0,1,0,0|1,0,1]=4 20292 B12R1.272 OCCCCCNCC1CCC1 2230a_100000738700_100000746330 [1,0,0,1,0,0|1,0,1]=4 20293 B12R1.272 OCCCCCNCC1CCC1 2230a_100000762737_100000763275 [1,0,0,1,0,0|1,0,1]=4 20294 B12R1.272 OCCCCCNCC1CCC1 269862a_100000762737_100000753134 [1,0,0,1,0,0|1,0,1]=4 20295 B12R1.272 OCCCCCNCC1CCC1 34a_100000738700_100000746330 [1,0,0,1,0,0|1,0,1]=4 20296 B12R1.272 OCCCCCNCC1CCC1 34a_100000762737_100000763275 [1,0,0,1,0,0|1,0,1]=4 20297 B12R1.272 OCCCCCOCC1CCC1 34a_100000760304_100000746330 [1,0,0,1,0,0|1,0,1]=4 20298 B12R1.272 OCCCCCSCC1CCC1 62a_100000746330_100000763275 [1,0,0,1,0,0|1,0,1]=4 20299 B12R1.272 OCCCCCSCC1CCC1 62a_100000763275_100000746330 [1,0,0,1,0,0|1,0,1]=4 20300 B12R1.320 C=CCNC1CCCC1CCC 270004a_100020586998_100000723119 [1,0,0,1,0,0|1,0,1]=4 20301 B12R1.320 CCCC1CCCC1NCCF 269862a_100000724931_100000723119 [1,0,0,1,0,0|2,0,0]=4 20302 B12R1.320 CCCC1CCCC1NCCO 269862a_100000210304_100000723119 [1,0,0,1,0,0|1,0,1]=4 20303 B12R1.320 CCCC1CCCC1NCCO 270004a_100000210304_100000723119 [1,0,0,1,0,0|1,0,1]=4 20304 B12R1.320 CCCCC1CCCC1NCC 269862a_100015525214_100000750825 [1,0,0,1,0,0|1,0,1]=4 20305 B12R1.320 CCCCC1CCCC1NCC 270004a_100015525214_100000750825 [1,0,0,1,0,0|1,0,1]=4 20306 B12R1.320 CCCNC1CCCC1CCC 269862a_100020643023_100000723119 [1,0,0,1,0,0|1,0,1]=4 20307 B12R1.320 CCCNC1CCCC1CCC 270004a_100020643023_100000723119 [1,0,0,1,0,0|1,0,1]=4 20308 B12R1.329 C=CCCN1CCCCCCC1 2230a_100000211400_100000754431 [1,0,0,1,0,0|1,0,1]=4 20309 B12R1.329 C=CCCN1CCCCCCC1 269982a_100000211400_100000754431 [1,0,0,1,0,0|1,0,1]=4 20310 B12R1.329 C=CCCN1CCCCCCC1 34a_100000211400_100000754431 [1,0,0,1,0,0|1,0,1]=4 20311 B12R1.329 C=CCNC1CCCCCCC1 2230a_100000211152_100000210623 [1,0,0,1,0,0|1,0,1]=4 20312 B12R1.329 C=CCNC1CCCCCCC1 270004a_100020586998_100000210524 [1,0,0,1,0,0|1,0,1]=4 20313 B12R1.329 C=CCNC1CCCCCCC1 34a_100000211152_100015514636 [1,0,0,1,0,0|1,0,1]=4 20314 B12R1.329 C=CCOC1CCCCCCC1 34a_100000210054_100015514636 [1,0,0,1,0,0|1,0,1]=4 20315 B12R1.329 C=CCOC1CCCCCCC1 7a_100000210054_100015514636 [1,0,0,1,0,0|1,0,1]=4 20316 B12R1.329 CCCCN1CCCCCCC1 2230a_100000211400_100000210211 [1,0,0,1,0,0|1,0,1]=4 20317 B12R1.329 CCCCN1CCCCCCC1 269982a_100000211400_100000210211 [1,0,0,1,0,0|1,0,1]=4 20318 B12R1.329 CCCCN1CCCCCCC1 34a_100000211400_100000210210 [1,0,0,1,0,0|1,0,1]=4 20319 B12R1.329 CCCNC1CCCCCCC1 2230a_100000211152_100000210303 [1,0,0,1,0,0|1,0,1]=4 20320 B12R1.329 CCCNC1CCCCCCC1 270004a_100020643023_100000210524 [1,0,0,1,0,0|1,0,1]=4 20321 B12R1.329 CCCNC1CCCCCCC1 34a_100000211152_100000210303 [1,0,0,1,0,0|1,0,1]=4 20322 B12R1.329 CCCOC1C=CCCCCC1 34a_100000688657_100000210303 [1,0,0,1,0,0|1,0,1]=4 20323 B12R1.329 CCCOC1CCCCCCC1 34a_100000210054_100000210303 [1,0,0,1,0,0|1,0,1]=4 20324 B12R1.329 CCCOC1CCCCCCC1 7a_100000210054_100000210303 [1,0,0,1,0,0|1,0,1]=4 20325 B12R1.329 CCOCC1CCCCCCC1 34a_100011216312_100000210202 [1,0,0,1,0,0|1,0,1]=4 20326 B12R1.329 CCOCC1CCCCCCC1 7a_100011216312_100000210202 [1,0,0,1,0,0|1,0,1]=4 20327 B12R1.329 CNCCC1CCCCCCC1 2230a_100011532352_200000210301 [1,0,0,1,0,0|1,0,1]=4 20328 B12R1.329 CNCCC1CCCCCCC1 34a_100011532352_200000210301 [1,0,0,1,0,0|1,0,1]=4 20329 B12R1.329 FCCCN1CCCCCCC1 2230a_100000211400_100011934791 [1,0,0,1,0,0|2,0,0]=4 20330 B12R1.329 FCCCN1CCCCCCC1 269982a_100000211400_100011934791 [1,0,0,1,0,0|2,0,0]=4 20331 B12R1.329 FCCCN1CCCCCCC1 34a_100000211400_100011934791 [1,0,0,1,0,0|2,0,0]=4 20332 B12R1.329 FCCNC1CCCCCCC1 2230a_100000211152_100011217306 [1,0,0,1,0,0|2,0,0]=4 20333 B12R1.329 FCCNC1CCCCCCC1 34a_100000211152_100011217306 [1,0,0,1,0,0|2,0,0]=4 20334 B12R1.329 FCCOC1CCCCCCC1 34a_100000210054_100011217306 [1,0,0,1,0,0|2,0,0]=4 20335 B12R1.329 FCCOC1CCCCCCC1 7a_100000210054_100011217306 [1,0,0,1,0,0|2,0,0]=4 20336 B12R1.329 FCOCC1CCCCCCC1 34a_100011216312_100015361967 [1,0,0,1,0,0|2,0,0]=4 20337 B12R1.329 FCOCC1CCCCCCC1 7a_100011216312_100015361967 [1,0,0,1,0,0|2,0,0]=4 20338 B12R1.329 O=CCNC1CCCCCCC1 2230a_100000211152_200015260668 [1,0,0,1,0,0|1,0,0]=3 20339 B12R1.329 O=CCNC1CCCCCCC1 34a_100000211152_200009817547 [1,0,0,1,0,0|1,0,0]=3 20340 B12R1.329 O=CCOC1CCCCCCC1 34a_100000210054_200009817547 [1,0,0,1,0,0|1,0,0]=3 20341 B12R1.329 O=CCOC1CCCCCCC1 7a_100000210054_200015260668 [1,0,0,1,0,0|1,0,0]=3 20342 B12R1.329 OCCCN1CCCCCCC1 2230a_100000211400_100000230001 [1,0,0,1,0,0|1,0,1]=4 20343 B12R1.329 OCCCN1CCCCCCC1 269982a_100000211400_100011215043 [1,0,0,1,0,0|1,0,1]=4 20344 B12R1.329 OCCCN1CCCCCCC1 34a_100000211400_100000230001 [1,0,0,1,0,0|1,0,1]=4 20345 B12R1.329 OCCNC1CCCCCCC1 2230a_100000211152_100000211926 [1,0,0,1,0,0|1,0,1]=4 20346 B12R1.329 OCCNC1CCCCCCC1 270004a_100000210304_100000210524 [1,0,0,1,0,0|1,0,1]=4 20347 B12R1.329 OCCNC1CCCCCCC1 34a_100000211152_100000211926 [1,0,0,1,0,0|1,0,1]=4 20348 B12R1.329 OCCOC1CCCCCCC1 34a_100000210054_100000211926 [1,0,0,1,0,0|1,0,1]=4 20349 B12R1.329 OCCOC1CCCCCCC1 7a_100000210054_100000211926 [1,0,0,1,0,0|1,0,1]=4 20350 B12R1.329 [13CH3]NCCC1CCCCCCC1 2230a_100011532352_200025704644 [1,0,0,1,0,0|1,0,1]=4 20351 B12R1.329 [13CH3]NCCC1CCCCCCC1 34a_100011532352_200025704644 [1,0,0,1,0,0|1,0,1]=4 20352 B12R1.372 C=CCCCCN1CCC[C@@H]1C 2230a_100020605311_100011215482 [1,0,0,1,0,0|1,0,1]=4 20353 B12R1.372 C=CCCCCN1CCC[C@@H]1C 269982a_100020605311_100011215482 [1,0,0,1,0,0|1,0,1]=4 20354 B12R1.372 C=CCCCCN1CCC[C@H]1C 2230a_100015189458_100011215482 [1,0,0,1,0,0|1,0,1]=4 20355 B12R1.372 C=CCCCCN1CCC[C@H]1C 269982a_100015189458_100011215482 [1,0,0,1,0,0|1,0,1]=4 20356 B12R1.372 C=CCCCCN1CCC[C@H]1C 34a_100015189458_100011215482 [1,0,0,1,0,0|1,0,1]=4 20357 B12R1.372 C=CCCCNC1CCCC1C 269862a_100000700776_100000752053 [1,0,0,1,0,0|1,0,1]=4 20358 B12R1.372 C=CCCCOC1CCCC1C 34a_100011216460_100000757094 [1,0,0,1,0,0|1,0,1]=4 20359 B12R1.372 C=CCCCOC1CCCC1C 7a_100011216460_100000757094 [1,0,0,1,0,0|1,0,1]=4 20360 B12R1.372 CC1CCCC1NCCCCO 269862a_100000750430_100000752053 [1,0,0,1,0,0|1,0,1]=4 20361 B12R1.372 CC1CCCC1OCCCC=O 7a_100011216460_200011292268 [1,0,0,1,0,0|1,0,0]=3 20362 B12R1.372 CC1CCCC1OCCCCF 34a_100011216460_100000729493 [1,0,0,1,0,0|2,0,0]=4 20363 B12R1.372 CC1CCCC1OCCCCF 7a_100011216460_100000729493 [1,0,0,1,0,0|2,0,0]=4 20364 B12R1.372 CC1CCCC1OCCCCO 34a_100011216460_100011216708 [1,0,0,1,0,0|1,0,1]=4 20365 B12R1.372 CC1CCCC1OCCCCO 7a_100011216460_100000210776 [1,0,0,1,0,0|1,0,1]=4 20366 B12R1.372 CC1SCCN1CCCCC=O 2230a_200011216479_100000139335 [1,0,0,1,0,0|2,0,0]=4 20367 B12R1.372 CC1SCCN1CCCCC=O 269982a_200011216479_100000139335 [1,0,0,1,0,0|2,0,0]=4 20368 B12R1.372 CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210314 [1,0,0,1,0,0|1,0,1]=4 20369 B12R1.372 CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210757 [1,0,0,1,0,0|1,0,1]=4 20370 B12R1.372 CCCCCCN1CCC[C@H]1C 2230a_100015189458_100000210314 [1,0,0,1,0,0|1,0,1]=4 20371 B12R1.372 CCCCCCN1CCC[C@H]1C 269982a_100015189458_100000210757 [1,0,0,1,0,0|1,0,1]=4 20372 B12R1.372 CCCCCCN1CCC[C@H]1C 34a_100015189458_100000210314 [1,0,0,1,0,0|1,0,1]=4 20373 B12R1.372 CCCCCNC1CCCC1=O 2230a_100000209983_100000211823 [1,0,0,1,0,0|1,0,0]=3 20374 B12R1.372 CCCCCNC1CCCC1C 269862a_100000209983_100000752053 [1,0,0,1,0,0|1,0,1]=4 20375 B12R1.372 CCCCCNC1CCNC1=O 2230a_100016995588_100000210326 [1,0,0,1,0,0|2,0,0]=4 20376 B12R1.372 CCCCCNC1CCNC1=O 34a_100016995588_100000718602 [1,0,0,1,0,0|2,0,0]=4 20377 B12R1.372 CCCCCNC1CCOC1=O 2230a_100000209983_100000211211 [1,0,0,1,0,0|2,0,0]=4 20378 B12R1.372 CCCCCOC1CCCC1=O 34a_100000210253_100000709159 [1,0,0,1,0,0|1,0,0]=3 20379 B12R1.372 CCCCCOC1CCCC1=O 34a_200000719330_100000718602 [1,0,0,1,0,0|1,0,0]=3 20380 B12R1.372 CCCCCOC1CCCC1=O 7a_100000210253_100000211823 [1,0,0,1,0,0|1,0,0]=3 20381 B12R1.372 CCCCCOC1CCCC1C 34a_100011216460_100000718602 [1,0,0,1,0,0|1,0,1]=4 20382 B12R1.372 CCCCCOC1CCCC1C 7a_100011216460_100000210326 [1,0,0,1,0,0|1,0,1]=4 20383 B12R1.372 CCCCCOC1CCOC1=O 34a_100000210253_100000211211 [1,0,0,1,0,0|2,0,0]=4 20384 B12R1.372 CCCCCOC1CCOC1=O 7a_100000210253_100000211211 [1,0,0,1,0,0|2,0,0]=4 20385 B12R1.372 CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000718602 [1,0,0,1,0,0|2,0,0]=4 20386 B12R1.372 CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000718602 [1,0,0,1,0,0|2,0,0]=4 20387 B12R1.372 CCCCCO[C@H]1CCNC1=O 34a_100000688343_100000718602 [1,0,0,1,0,0|2,0,0]=4 20388 B12R1.372 CCCCCSC1CCCC1=O 62a_100000210326_100000211823 [1,0,0,1,0,0|1,0,0]=3 20389 B12R1.372 CCCCCSC1CCCC1=O 62a_100000211823_100000210326 [1,0,0,1,0,0|1,0,0]=3 20390 B12R1.372 CCCCCSC1CCOC1=O 62a_100000210326_100000211211 [1,0,0,1,0,0|2,0,0]=4 20391 B12R1.372 CCCCCSC1CCOC1=O 62a_100000211211_100000210326 [1,0,0,1,0,0|2,0,0]=4 20392 B12R1.372 CCCCCS[C@@H]1CCC[C@H]1O 62a_100000210326_200016002552 [1,0,0,1,0,0|1,0,1]=4 20393 B12R1.372 CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210326 [1,0,0,1,0,0|1,0,1]=4 20394 B12R1.372 CCCCOCC1CCNC1=O 34a_100000133458_100000210210 [1,0,0,1,0,0|2,0,0]=4 20395 B12R1.372 CCCCSCN1CCCC1=O 62a_100000026320_100000210210 [1,0,0,1,0,0|2,0,0]=4 20396 B12R1.372 CCCCSCN1CCCC1=O 62a_100000210211_100000026320 [1,0,0,1,0,0|2,0,0]=4 20397 B12R1.372 CCCNCCN1CCCC1=O 2230a_100011200922_100000210303 [1,0,0,1,0,0|2,0,0]=4 20398 B12R1.372 CCCOCCN1CCCC1=O 34a_100000210258_100000739059 [1,0,0,1,0,0|2,0,0]=4 20399 B12R1.372 CCCOCCN1CCCC1=O 34a_100000211209_100000210303 [1,0,0,1,0,0|2,0,0]=4 20400 B12R1.372 CCCOCCN1CCCC1=O 7a_100000211209_100000210303 [1,0,0,1,0,0|2,0,0]=4 20401 B12R1.372 CCCSCCN1CCCC1=O 62a_100000210303_100000739059 [1,0,0,1,0,0|2,0,0]=4 20402 B12R1.372 CCCSCCN1CCCC1=O 62a_100000739059_100000210303 [1,0,0,1,0,0|2,0,0]=4 20403 B12R1.372 CCNCCCN1CCCC1=O 2230a_100000210347_100000210202 [1,0,0,1,0,0|2,0,0]=4 20404 B12R1.372 CCNCCCN1CCCC1=O 34a_100000210347_100000210202 [1,0,0,1,0,0|2,0,0]=4 20405 B12R1.372 CCOCCCN1CCCC1=O 34a_100011216539_100000210202 [1,0,0,1,0,0|2,0,0]=4 20406 B12R1.372 CCOCCCN1CCCC1=O 7a_100011216539_100000210202 [1,0,0,1,0,0|2,0,0]=4 20407 B12R1.372 CCOCCNC1CCCC1=O 2230a_102516460346_100000211823 [1,0,0,1,0,0|2,0,0]=4 20408 B12R1.372 CCOCCNC1CCCC1=O 34a_102516460346_100000709159 [1,0,0,1,0,0|2,0,0]=4 20409 B12R1.372 CCOCCOC1CCCC1=O 34a_100000210136_100000709159 [1,0,0,1,0,0|2,0,0]=4 20410 B12R1.372 CCOCCOC1CCCC1=O 34a_200000719330_100000210147 [1,0,0,1,0,0|2,0,0]=4 20411 B12R1.372 CCOCCOC1CCCC1=O 7a_100000210136_100000211823 [1,0,0,1,0,0|2,0,0]=4 20412 B12R1.372 CCOCCSC1CCCC1=O 62a_100000210147_100000211823 [1,0,0,1,0,0|2,0,0]=4 20413 B12R1.372 CCOCCSC1CCCC1=O 62a_100000211823_100011215890 [1,0,0,1,0,0|2,0,0]=4 20414 B12R1.372 CCSCCNC1CCCC1=O 2230a_100000106463_100000211823 [1,0,0,1,0,0|2,0,0]=4 20415 B12R1.372 CCSCCOC1CCCC1=O 34a_100000212035_100000709159 [1,0,0,1,0,0|2,0,0]=4 20416 B12R1.372 CCSCCOC1CCCC1=O 34a_200000719330_100000757381 [1,0,0,1,0,0|2,0,0]=4 20417 B12R1.372 CCSCCOC1CCCC1=O 7a_100000212035_100000211823 [1,0,0,1,0,0|2,0,0]=4 20418 B12R1.372 CCSCCSC1CCCC1=O 62a_100000211823_100000757381 [1,0,0,1,0,0|2,0,0]=4 20419 B12R1.372 CCSCCSC1CCCC1=O 62a_100000757381_100000211823 [1,0,0,1,0,0|2,0,0]=4 20420 B12R1.372 CN1CCCC1CCOCC=O 34a_100011215177_200009817547 [1,0,0,1,0,0|2,0,0]=4 20421 B12R1.372 CN1CCCC1CCOCC=O 7a_100011215177_200015260668 [1,0,0,1,0,0|2,0,0]=4 20422 B12R1.372 CN1CCCC1CCSCC=O 62a_100000005710_200015260668 [1,0,0,1,0,0|2,0,0]=4 20423 B12R1.372 CN1CCCC1CCSCC=O 62a_200015260668_100000005710 [1,0,0,1,0,0|2,0,0]=4 20424 B12R1.372 CNCCCOC1CCCC1=O 34a_100000213112_100000709159 [1,0,0,1,0,0|2,0,0]=4 20425 B12R1.372 COCCCNC1CCCC1=O 34a_100150723488_100000709159 [1,0,0,1,0,0|2,0,0]=4 20426 B12R1.372 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62a_100000732470_100000139335 [1,0,0,1,0,0|2,0,0]=4 20567 B12R1.375 O=CCCCSCCCC1CO1 62a_100000733510_200011292268 [1,0,0,1,0,0|2,0,0]=4 20568 B12R1.375 O=CCCCSCCCC1CO1 62a_200011292268_100000733510 [1,0,0,1,0,0|2,0,0]=4 20569 B12R1.375 OCCCCCCCNC1CC1 34a_100000212008_100000760002 [1,0,0,1,0,0|1,0,1]=4 20570 B12R1.375 OCCCCCCCNC1CC1 34a_100011996573_100000211595 [1,0,0,1,0,0|1,0,1]=4 20571 B12R1.375 OCCCCCCCSC1CC1 62a_100000760002_100000211595 [1,0,0,1,0,0|1,0,1]=4 20572 B12R1.375 OCCCCCCNCC1CC1 2230a_100000686447_100000742324 [1,0,0,1,0,0|1,0,1]=4 20573 B12R1.375 OCCCCCCNCC1CC1 2230a_100000735609_100000766143 [1,0,0,1,0,0|1,0,1]=4 20574 B12R1.375 OCCCCCCNCC1CC1 269862a_100000686447_100000741477 [1,0,0,1,0,0|1,0,1]=4 20575 B12R1.375 OCCCCCCNCC1CC1 34a_100000686447_100000742324 [1,0,0,1,0,0|1,0,1]=4 20576 B12R1.375 OCCCCCCNCC1CC1 34a_100000735609_100000766143 [1,0,0,1,0,0|1,0,1]=4 20577 B12R1.375 OCCCCCCOCC1CC1 34a_100000211283_100000766143 [1,0,0,1,0,0|1,0,1]=4 20578 B12R1.375 OCCCCCCSCC1CC1 62a_100000756562_100000766143 [1,0,0,1,0,0|1,0,1]=4 20579 B12R1.375 OCCCCCCSCC1CC1 62a_100000766143_100000742324 [1,0,0,1,0,0|1,0,1]=4 20580 B12R1.375 OCCCCCNCCC1CC1 2230a_100000762737_100000694398 [1,0,0,1,0,0|1,0,1]=4 20581 B12R1.375 OCCCCCNCCC1CC1 34a_100000762737_100000694398 [1,0,0,1,0,0|1,0,1]=4 20582 B12R1.375 OCCCCCNCCC1CC1 34a_100000764129_100000746330 [1,0,0,1,0,0|1,0,1]=4 20583 B12R1.375 OCCCCCOCCC1CC1 34a_100000754188_100000746330 [1,0,0,1,0,0|1,0,1]=4 20584 B12R1.375 OCCCCCOCCC1CC1 7a_100000754188_100000746330 [1,0,0,1,0,0|1,0,1]=4 20585 B12R1.375 OCCCCCSCCC1CC1 62a_100000746330_100000764125 [1,0,0,1,0,0|1,0,1]=4 20586 B12R1.375 OCCCCCSCCC1CC1 62a_100000764125_100000746330 [1,0,0,1,0,0|1,0,1]=4 20587 B12R1.383 C=CCCCCCN1CCC1C 269982a_100000755817_100000700193 [1,0,0,1,0,0|1,0,1]=4 20588 B12R1.383 C=CCCCCCN1CCC1C 34a_100000755817_100000700193 [1,0,0,1,0,0|1,0,1]=4 20589 B12R1.383 CC1CCN1CCCCCC=O 269982a_100000755817_100000139337 [1,0,0,1,0,0|1,0,0]=3 20590 B12R1.383 CC1CCN1CCCCCCF 269982a_100000755817_100015922095 [1,0,0,1,0,0|2,0,0]=4 20591 B12R1.383 CC1CCN1CCCCCCF 34a_100000755817_100015922095 [1,0,0,1,0,0|2,0,0]=4 20592 B12R1.383 CC1CCN1CCCCCCO 269982a_100000755817_100000766143 [1,0,0,1,0,0|1,0,1]=4 20593 B12R1.383 CC1CCN1CCCCCCO 34a_100000755817_100000766143 [1,0,0,1,0,0|1,0,1]=4 20594 B12R1.383 CCCCCCCN1CCC1C 269982a_100000755817_100000210681 [1,0,0,1,0,0|1,0,1]=4 20595 B12R1.383 CCCCCCCN1CCC1C 34a_100000755817_100000210614 [1,0,0,1,0,0|1,0,1]=4 20596 B12R1.383 CCCCCCOC1CCC1=O 34a_100000210259_100009892977 [1,0,0,1,0,0|1,0,0]=3 20597 B12R1.383 CCCCCCOC1CCC1=O 7a_100000210259_100009892977 [1,0,0,1,0,0|1,0,0]=3 20598 B12R1.383 CCCCCCSC1CCC1=O 62a_100000210314_100009892977 [1,0,0,1,0,0|1,0,0]=3 20599 B12R1.383 CCCCCCSC1CCC1=O 62a_100009892977_100000210757 [1,0,0,1,0,0|1,0,0]=3 20600 B12R1.383 CCCCNCCC1CCC1=O 2230a_100000102301_200016118888 [1,0,0,1,0,0|1,0,0]=3 20601 B12R1.383 CCCCNCCC1CCC1=O 7a_106832991798_200016118888 [1,0,0,1,0,0|1,0,0]=3 20602 B12R1.383 CCCCOCCC1CCC1=O 7a_100000210227_200016118888 [1,0,0,1,0,0|1,0,0]=3 20603 B12R1.383 CCCCOCSC1CCC1=O 62a_100009892977_100011995733 [1,0,0,1,0,0|2,0,0]=4 20604 B12R1.383 CCCCOCSC1CCC1=O 62a_100011995733_100009892977 [1,0,0,1,0,0|2,0,0]=4 20605 B12R1.383 CCCCSCCC1CCC1=O 62a_100000210211_200016118888 [1,0,0,1,0,0|1,0,0]=3 20606 B12R1.383 CCCCSCCC1CCC1=O 62a_200016118888_100000210210 [1,0,0,1,0,0|1,0,0]=3 20607 B12R1.383 CCCOCCNC1CCC1=O 34a_100161115042_100009892977 [1,0,0,1,0,0|2,0,0]=4 20608 B12R1.383 CCCOCCOC1CCC1=O 34a_100000752267_100009892977 [1,0,0,1,0,0|2,0,0]=4 20609 B12R1.383 CCCOCCOC1CCC1=O 7a_100000752267_100009892977 [1,0,0,1,0,0|2,0,0]=4 20610 B12R1.383 CCCOCCSC1CCC1=O 62a_100009892977_100011215938 [1,0,0,1,0,0|2,0,0]=4 20611 B12R1.383 CCCOCCSC1CCC1=O 62a_100011215938_100009892977 [1,0,0,1,0,0|2,0,0]=4 20612 B12R1.383 CCCSCCOC1CCC1=O 34a_200000230433_100009892977 [1,0,0,1,0,0|2,0,0]=4 20613 B12R1.383 CCCSCCOC1CCC1=O 7a_200000230433_100009892977 [1,0,0,1,0,0|2,0,0]=4 20614 B12R1.383 CCOCCCNC1CCC1=O 34a_100000210961_100009892977 [1,0,0,1,0,0|2,0,0]=4 20615 B12R1.383 CCOCCCOC1CCC1=O 34a_100000757476_100009892977 [1,0,0,1,0,0|2,0,0]=4 20616 B12R1.383 CCOCCCOC1CCC1=O 7a_100000757476_100009892977 [1,0,0,1,0,0|2,0,0]=4 20617 B12R1.383 CCOCCCSC1CCC1=O 62a_100009892977_100012232248 [1,0,0,1,0,0|2,0,0]=4 20618 B12R1.383 CCOCCCSC1CCC1=O 62a_100012232248_100009892977 [1,0,0,1,0,0|2,0,0]=4 20619 B12R1.383 CCOCSCCC1CCC1=O 62a_100000739092_200016118888 [1,0,0,1,0,0|2,0,0]=4 20620 B12R1.383 CCOCSCCC1CCC1=O 62a_200016118888_100000739092 [1,0,0,1,0,0|2,0,0]=4 20621 B12R1.383 CCSCCCOC1CCC1=O 34a_100011216438_100009892977 [1,0,0,1,0,0|2,0,0]=4 20622 B12R1.383 CCSCCCOC1CCC1=O 7a_100011216438_100009892977 [1,0,0,1,0,0|2,0,0]=4 20623 B12R1.383 COCCCCOC1CCC1=O 34a_100000740925_100009892977 [1,0,0,1,0,0|2,0,0]=4 20624 B12R1.383 COCCCCSC1CCC1=O 62a_100000730899_100009892977 [1,0,0,1,0,0|2,0,0]=4 20625 B12R1.383 COCCCCSC1CCC1=O 62a_100009892977_100000730899 [1,0,0,1,0,0|2,0,0]=4 20626 B12R1.383 COCCNCCC1CCC1=O 2230a_100000209980_200016118888 [1,0,0,1,0,0|2,0,0]=4 20627 B12R1.383 COCCSCCC1CCC1=O 62a_100000233755_200016118888 [1,0,0,1,0,0|2,0,0]=4 20628 B12R1.383 COCCSCCC1CCC1=O 62a_200016118888_100000233755 [1,0,0,1,0,0|2,0,0]=4 20629 B12R1.383 CSCCCCOC1CCC1=O 34a_100011217163_100009892977 [1,0,0,1,0,0|2,0,0]=4 20630 B12R1.383 CSCCCCOC1CCC1=O 7a_100011217163_100009892977 [1,0,0,1,0,0|2,0,0]=4 20631 B12R1.383 CSCCNCCC1CCC1=O 2230a_100020590264_200016118888 [1,0,0,1,0,0|2,0,0]=4 20632 B12R1.383 CSCCOCCC1CCC1=O 7a_100000230434_200016118888 [1,0,0,1,0,0|2,0,0]=4 20633 B12R1.383 CSCCSCCC1CCC1=O 62a_100000212216_200016118888 [1,0,0,1,0,0|2,0,0]=4 20634 B12R1.383 CSCCSCCC1CCC1=O 62a_200016118888_100000751147 [1,0,0,1,0,0|2,0,0]=4 20635 B12R1.383 NCCCCCOC1CCC1=O 34a_100000762737_100009892977 [1,0,0,1,0,0|2,0,0]=4 20636 B12R1.383 O=C1CCC1CCNCCCF 2230a_100015189416_200016118888 [1,0,0,1,0,0|2,0,0]=4 20637 B12R1.383 O=C1CCC1CCSCCCF 62a_100011934791_200016118888 [1,0,0,1,0,0|2,0,0]=4 20638 B12R1.383 O=C1CCC1CCSCCCF 62a_200016118888_100011934791 [1,0,0,1,0,0|2,0,0]=4 20639 B12R1.383 O=C1CCC1CCSCCCO 62a_100011215043_200016118888 [1,0,0,1,0,0|2,0,0]=4 20640 B12R1.383 O=C1CCC1CCSCCCO 62a_200016118888_100011215043 [1,0,0,1,0,0|2,0,0]=4 20641 B12R1.383 O=C1CCC1NCCCCCO 34a_100000762737_100009892977 [1,0,0,1,0,0|2,0,0]=4 20642 B12R1.383 O=C1CCC1OCCCCCBr 34a_100000746331_100009892977 [1,0,0,1,0,0|2,0,0]=4 20643 B12R1.383 O=C1CCC1OCCCCCBr 7a_100000746331_100009892977 [1,0,0,1,0,0|2,0,0]=4 20644 B12R1.383 O=C1CCC1OCCCCCCl 34a_100000746330_100009892977 [1,0,0,1,0,0|2,0,0]=4 20645 B12R1.383 O=C1CCC1OCCCCCCl 7a_100000746330_100009892977 [1,0,0,1,0,0|2,0,0]=4 20646 B12R1.383 O=C1CCC1OCCCCCI 34a_200012148887_100009892977 [1,0,0,1,0,0|2,0,0]=4 20647 B12R1.383 O=C1CCC1OCCCCCI 7a_200012148887_100009892977 [1,0,0,1,0,0|2,0,0]=4 20648 B12R1.383 O=C1CCC1SCCCCCF 62a_100000729378_100009892977 [1,0,0,1,0,0|2,0,0]=4 20649 B12R1.383 O=C1CCC1SCCCCCF 62a_100009892977_100000729378 [1,0,0,1,0,0|2,0,0]=4 20650 B12R1.383 O=C1CCC1SCCCCCO 62a_100000746330_100009892977 [1,0,0,1,0,0|2,0,0]=4 20651 B12R1.383 O=C1CCC1SCCCCCO 62a_100009892977_100000746330 [1,0,0,1,0,0|2,0,0]=4 20652 B12R1.458 COCC1CCN1CCCC=O 2230a_100015195929_200011292268 [1,0,0,1,0,0|2,0,0]=4 20653 B12R1.458 COCC1CCN1CCCC=O 269982a_100015195929_200011292268 [1,0,0,1,0,0|2,0,0]=4 20654 B12R1.1414 BrCCCOC1CCCCCC1 34a_100011217188_100011217769 [1,0,0,1,0,0|2,0,0]=4 20655 B12R1.1414 BrCCOCC1CCCCCC1 34a_100000211926_200000696569 [1,0,0,1,0,0|2,0,0]=4 20656 B12R1.1414 C=CCCCN1CCCCCC1 2230a_100000185865_100011713584 [1,0,0,1,0,0|1,0,1]=4 20657 B12R1.1414 C=CCCCN1CCCCCC1 269982a_100000185865_100000757094 [1,0,0,1,0,0|1,0,1]=4 20658 B12R1.1414 C=CCCCN1CCCCCC1 34a_100000185865_100000757094 [1,0,0,1,0,0|1,0,1]=4 20659 B12R1.1414 C=CCCNC1CCCCCC1 2230a_100000210984_100000754431 [1,0,0,1,0,0|1,0,1]=4 20660 B12R1.1414 C=CCCNC1CCCCCC1 270004a_100015191253_100000210131 [1,0,0,1,0,0|1,0,1]=4 20661 B12R1.1414 C=CCCNC1CCCCCC1 34a_100000210984_100000754431 [1,0,0,1,0,0|1,0,1]=4 20662 B12R1.1414 C=CCCOC1CCCCCC1 34a_100000210887_100000754431 [1,0,0,1,0,0|1,0,1]=4 20663 B12R1.1414 C=CCCOC1CCCCCC1 34a_100011205117_100011217769 [1,0,0,1,0,0|1,0,1]=4 20664 B12R1.1414 C=CCCOC1CCCCCC1 7a_100000210887_100000754431 [1,0,0,1,0,0|1,0,1]=4 20665 B12R1.1414 C=CCCSC1CCCCCC1 62a_100000754431_100011217769 [1,0,0,1,0,0|1,0,1]=4 20666 B12R1.1414 C=CCCSC1CCCCCC1 62a_100011217769_100000754431 [1,0,0,1,0,0|1,0,1]=4 20667 B12R1.1414 C=CCNCC1CCCCCC1 2230a_100015204231_100000210623 [1,0,0,1,0,0|1,0,1]=4 20668 B12R1.1414 C=CCNCC1CCCCCC1 2230a_100020586998_200000696569 [1,0,0,1,0,0|1,0,1]=4 20669 B12R1.1414 C=CCNCC1CCCCCC1 34a_100015204231_100015514636 [1,0,0,1,0,0|1,0,1]=4 20670 B12R1.1414 C=CCOCC1CCCCCC1 34a_100000699130_100015514636 [1,0,0,1,0,0|1,0,1]=4 20671 B12R1.1414 C=CCOCC1CCCCCC1 34a_200000210373_200000696569 [1,0,0,1,0,0|1,0,1]=4 20672 B12R1.1414 C=CCOCC1CCCCCC1 7a_100000699130_100015514636 [1,0,0,1,0,0|1,0,1]=4 20673 B12R1.1414 C=CCSCC1CCCCCC1 62a_100000210623_200000696569 [1,0,0,1,0,0|1,0,1]=4 20674 B12R1.1414 C=CCSCC1CCCCCC1 62a_200000696569_100000210623 [1,0,0,1,0,0|1,0,1]=4 20675 B12R1.1414 CCCCCN1CCCCCC1 2230a_100000185865_100000210326 [1,0,0,1,0,0|1,0,1]=4 20676 B12R1.1414 CCCCCN1CCCCCC1 269982a_100000185865_100000210215 [1,0,0,1,0,0|1,0,1]=4 20677 B12R1.1414 CCCCCN1CCCCCC1 34a_100000185865_100000718602 [1,0,0,1,0,0|1,0,1]=4 20678 B12R1.1414 CCCCNC1CCCCCC1 2230a_100000210984_100000210211 [1,0,0,1,0,0|1,0,1]=4 20679 B12R1.1414 CCCCNC1CCCCCC1 270004a_100000102301_100000210131 [1,0,0,1,0,0|1,0,1]=4 20680 B12R1.1414 CCCCNC1CCCCCC1 34a_100000210984_100000210210 [1,0,0,1,0,0|1,0,1]=4 20681 B12R1.1414 CCCCOC1CCCCCC1 34a_100000210227_100011217769 [1,0,0,1,0,0|1,0,1]=4 20682 B12R1.1414 CCCCOC1CCCCCC1 34a_100000210887_100000210210 [1,0,0,1,0,0|1,0,1]=4 20683 B12R1.1414 CCCCOC1CCCCCC1 7a_100000210887_100000210211 [1,0,0,1,0,0|1,0,1]=4 20684 B12R1.1414 CCCCSC1CCCCCC1 62a_100000210211_100011217769 [1,0,0,1,0,0|1,0,1]=4 20685 B12R1.1414 CCCCSC1CCCCCC1 62a_100011217769_100000210210 [1,0,0,1,0,0|1,0,1]=4 20686 B12R1.1414 CCCNCC1CCCCCC1 2230a_100015204231_100000210303 [1,0,0,1,0,0|1,0,1]=4 20687 B12R1.1414 CCCNCC1CCCCCC1 269862a_100020643023_200000763224 [1,0,0,1,0,0|1,0,1]=4 20688 B12R1.1414 CCCNCC1CCCCCC1 34a_100015204231_100000210303 [1,0,0,1,0,0|1,0,1]=4 20689 B12R1.1414 CCCOCC1CCCCCC1 34a_100000210258_200000696569 [1,0,0,1,0,0|1,0,1]=4 20690 B12R1.1414 CCCOCC1CCCCCC1 34a_100000699130_100000210303 [1,0,0,1,0,0|1,0,1]=4 20691 B12R1.1414 CCCOCC1CCCCCC1 7a_100000699130_100000210303 [1,0,0,1,0,0|1,0,1]=4 20692 B12R1.1414 CCCSCC1CCCCCC1 62a_100000210303_200000696569 [1,0,0,1,0,0|1,0,1]=4 20693 B12R1.1414 CCCSCC1CCCCCC1 62a_200000696569_100000210303 [1,0,0,1,0,0|1,0,1]=4 20694 B12R1.1414 CCNCCC1CCCCCC1 2230a_100011532351_100000210202 [1,0,0,1,0,0|1,0,1]=4 20695 B12R1.1414 CCNCCC1CCCCCC1 34a_100011532351_100000210202 [1,0,0,1,0,0|1,0,1]=4 20696 B12R1.1414 ClCCCOC1CCCCCC1 34a_100000230001_100011217769 [1,0,0,1,0,0|2,0,0]=4 20697 B12R1.1414 FCCCCN1CCCCCC1 2230a_100000185865_100000729493 [1,0,0,1,0,0|2,0,0]=4 20698 B12R1.1414 FCCCCN1CCCCCC1 269982a_100000185865_100000729493 [1,0,0,1,0,0|2,0,0]=4 20699 B12R1.1414 FCCCCN1CCCCCC1 34a_100000185865_100000729493 [1,0,0,1,0,0|2,0,0]=4 20700 B12R1.1414 FCCCNC1CCCCCC1 2230a_100000210984_100011934791 [1,0,0,1,0,0|2,0,0]=4 20701 B12R1.1414 FCCCNC1CCCCCC1 270004a_100015189416_100000210131 [1,0,0,1,0,0|2,0,0]=4 20702 B12R1.1414 FCCCNC1CCCCCC1 34a_100000210984_100011934791 [1,0,0,1,0,0|2,0,0]=4 20703 B12R1.1414 FCCCNC1CCCCCC1 34a_100015189416_100011217769 [1,0,0,1,0,0|2,0,0]=4 20704 B12R1.1414 FCCCOC1CCCCCC1 34a_100000210887_100011934791 [1,0,0,1,0,0|2,0,0]=4 20705 B12R1.1414 FCCCOC1CCCCCC1 34a_100000759539_100011217769 [1,0,0,1,0,0|2,0,0]=4 20706 B12R1.1414 FCCCOC1CCCCCC1 7a_100000210887_100011934791 [1,0,0,1,0,0|2,0,0]=4 20707 B12R1.1414 FCCCSC1CCCCCC1 62a_100011217769_100011934791 [1,0,0,1,0,0|2,0,0]=4 20708 B12R1.1414 FCCCSC1CCCCCC1 62a_100011934791_100011217769 [1,0,0,1,0,0|2,0,0]=4 20709 B12R1.1414 FCCNCC1CCCCCC1 2230a_100015204231_100011217306 [1,0,0,1,0,0|2,0,0]=4 20710 B12R1.1414 FCCNCC1CCCCCC1 269862a_100000724931_200000763224 [1,0,0,1,0,0|2,0,0]=4 20711 B12R1.1414 FCCNCC1CCCCCC1 34a_100000724931_200000696569 [1,0,0,1,0,0|2,0,0]=4 20712 B12R1.1414 FCCNCC1CCCCCC1 34a_100015204231_100011217306 [1,0,0,1,0,0|2,0,0]=4 20713 B12R1.1414 FCCOCC1CCCCCC1 34a_100000699130_100011217306 [1,0,0,1,0,0|2,0,0]=4 20714 B12R1.1414 FCCOCC1CCCCCC1 7a_100000699130_100011217306 [1,0,0,1,0,0|2,0,0]=4 20715 B12R1.1414 FCCSCC1CCCCCC1 62a_100011217306_200000696569 [1,0,0,1,0,0|2,0,0]=4 20716 B12R1.1414 FCCSCC1CCCCCC1 62a_200000696569_100011217306 [1,0,0,1,0,0|2,0,0]=4 20717 B12R1.1414 FCNCCC1CCCCCC1 34a_100011532351_100015361967 [1,0,0,1,0,0|2,0,0]=4 20718 B12R1.1414 NCCCOC1CCCCCC1 34a_100000182051_100011217769 [1,0,0,1,0,0|2,0,0]=4 20719 B12R1.1414 NCCOCC1CCCCCC1 34a_100000210304_200000696569 [1,0,0,1,0,0|2,0,0]=4 20720 B12R1.1414 O=CCCCN1CCCCCC1 2230a_100000185865_200011292268 [1,0,0,1,0,0|1,0,0]=3 20721 B12R1.1414 O=CCCCN1CCCCCC1 269982a_100000185865_200011292268 [1,0,0,1,0,0|1,0,0]=3 20722 B12R1.1414 O=CCCCN1CCCOCC1 2230a_100000685342_200011292268 [1,0,0,1,0,0|2,0,0]=4 20723 B12R1.1414 O=CCCCN1CCCOCC1 269982a_100000685342_200011292268 [1,0,0,1,0,0|2,0,0]=4 20724 B12R1.1414 O=CCNCC1CCCCCC1 2230a_100015204231_200015260668 [1,0,0,1,0,0|1,0,0]=3 20725 B12R1.1414 O=CCNCC1CCCCCC1 34a_100015204231_200009817547 [1,0,0,1,0,0|1,0,0]=3 20726 B12R1.1414 O=CCOCC1CCCCCC1 34a_100000699130_200009817547 [1,0,0,1,0,0|1,0,0]=3 20727 B12R1.1414 O=CCOCC1CCCCCC1 7a_100000699130_200015260668 [1,0,0,1,0,0|1,0,0]=3 20728 B12R1.1414 O=CCSCC1CCCCCC1 62a_200000696569_200015260668 [1,0,0,1,0,0|1,0,0]=3 20729 B12R1.1414 O=CCSCC1CCCCCC1 62a_200015260668_200000696569 [1,0,0,1,0,0|1,0,0]=3 20730 B12R1.1414 OCCCCN1CCCCCC1 2230a_100000185865_100000210776 [1,0,0,1,0,0|1,0,1]=4 20731 B12R1.1414 OCCCCN1CCCCCC1 269982a_100000185865_100000210776 [1,0,0,1,0,0|1,0,1]=4 20732 B12R1.1414 OCCCCN1CCCCCC1 34a_100000185865_100011216708 [1,0,0,1,0,0|1,0,1]=4 20733 B12R1.1414 OCCCNC1CCCCCC1 2230a_100000210984_100000230001 [1,0,0,1,0,0|1,0,1]=4 20734 B12R1.1414 OCCCNC1CCCCCC1 270004a_100000182051_100000210131 [1,0,0,1,0,0|1,0,1]=4 20735 B12R1.1414 OCCCNC1CCCCCC1 34a_100000210984_100000230001 [1,0,0,1,0,0|1,0,1]=4 20736 B12R1.1414 OCCCOC1CCCCCC1 34a_100000210887_100000230001 [1,0,0,1,0,0|1,0,1]=4 20737 B12R1.1414 OCCCOC1CCCCCC1 7a_100000210887_100011215043 [1,0,0,1,0,0|1,0,1]=4 20738 B12R1.1414 OCCCSC1CCCCCC1 62a_100011215043_100011217769 [1,0,0,1,0,0|1,0,1]=4 20739 B12R1.1414 OCCCSC1CCCCCC1 62a_100011217769_100011215043 [1,0,0,1,0,0|1,0,1]=4 20740 B12R1.1414 OCCNCC1CCCCCC1 2230a_100015204231_100000211926 [1,0,0,1,0,0|1,0,1]=4 20741 B12R1.1414 OCCNCC1CCCCCC1 2230a_100016997473_200000696569 [1,0,0,1,0,0|1,0,1]=4 20742 B12R1.1414 OCCNCC1CCCCCC1 269862a_100000210304_200000763224 [1,0,0,1,0,0|1,0,1]=4 20743 B12R1.1414 OCCNCC1CCCCCC1 34a_100015204231_100000211926 [1,0,0,1,0,0|1,0,1]=4 20744 B12R1.1414 OCCNCC1CCCCCC1 34a_100016990907_200000696569 [1,0,0,1,0,0|1,0,1]=4 20745 B12R1.1414 OCCOCC1CCCCCC1 34a_100000699130_100000211926 [1,0,0,1,0,0|1,0,1]=4 20746 B12R1.1414 OCCOCC1CCCCCC1 7a_100000699130_100000211926 [1,0,0,1,0,0|1,0,1]=4 20747 B12R1.1414 OCCSCC1CCCCCC1 62a_100000211926_200000696569 [1,0,0,1,0,0|1,0,1]=4 20748 B12R1.1414 OCCSCC1CCCCCC1 62a_200000696569_100000211926 [1,0,0,1,0,0|1,0,1]=4 20749 B14R1.26 C=CCCCCCN1CCCC(C1)F 2230a_100000697950_100000700193 [0,1,0,1,0,0|2,0,0]=4 20750 B14R1.26 C=CCCCCCN1CCCC(C1)F 269982a_100000697950_100000700193 [0,1,0,1,0,0|2,0,0]=4 20751 B14R1.26 C=CCCCCCN1CCCC(C1)F 34a_100000697950_100000700193 [0,1,0,1,0,0|2,0,0]=4 20752 B14R1.26 C=CCCCCCN1CCCC(C1)O 2230a_100000211013_100000700193 [0,1,0,1,0,0|2,0,0]=4 20753 B14R1.26 C=CCCCCCN1CCCC(C1)O 269982a_100000211013_100000700193 [0,1,0,1,0,0|2,0,0]=4 20754 B14R1.26 C=CCCCCCN1CCC[C@@H](C1)C 2230a_100000717927_100000700193 [0,1,0,1,0,0|2,0,0]=4 20755 B14R1.26 C=CCCCCCN1CCC[C@@H](C1)C 269982a_100000717927_100000700193 [0,1,0,1,0,0|2,0,0]=4 20756 B14R1.26 C=CCCCCCN1CCC[C@@H](C1)C 34a_100000717927_100000700193 [0,1,0,1,0,0|2,0,0]=4 20757 B14R1.26 C=CCCCCNC1CCCC(C1)C 2230a_100011194320_100011215482 [0,1,0,1,0,0|2,0,0]=4 20758 B14R1.26 C=CCCCCNC1CCCC(C1)C 270004a_100000703577_100000183594 [0,1,0,1,0,0|2,0,0]=4 20759 B14R1.26 C=CCCCCNC1CCCC(C1)C 34a_100011194320_100011215482 [0,1,0,1,0,0|2,0,0]=4 20760 B14R1.26 C=CCCCCNC1CCCC(C1)O 2230a_100015190357_100011215482 [0,1,0,1,0,0|2,0,0]=4 20761 B14R1.26 C=CCCCCNC1CCCC(C1)O 270004a_100000703577_100012613340 [0,1,0,1,0,0|2,0,0]=4 20762 B14R1.26 C=CCCCCOC1CCCC(C1)C 34a_100000211399_100011215482 [0,1,0,1,0,0|2,0,0]=4 20763 B14R1.26 C=CCCCNCC1CCCC(C1)O 2230a_100011254705_100011713584 [0,1,0,1,0,0|2,0,0]=4 20764 B14R1.26 CC1CC(CCO1)OCCCCC=O 7a_100011986385_100000139335 [0,1,0,1,0,0|2,0,0]=4 20765 B14R1.26 CC1CCCC(C1)NCCCCC=O 2230a_100011194320_100000139335 [0,1,0,1,0,0|1,0,0]=3 20766 B14R1.26 CC1CN(CCO1)CCCCCC=O 2230a_100000729577_100000139337 [0,1,0,1,0,0|2,0,0]=4 20767 B14R1.26 CC1CN(CCO1)CCCCCC=O 269982a_100000729577_100000139337 [0,1,0,1,0,0|2,0,0]=4 20768 B14R1.26 CCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210681 [0,1,0,1,0,0|2,0,0]=4 20769 B14R1.26 CCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210681 [0,1,0,1,0,0|2,0,0]=4 20770 B14R1.26 CCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210314 [0,1,0,1,0,0|2,0,0]=4 20771 B14R1.26 CCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210314 [0,1,0,1,0,0|2,0,0]=4 20772 B14R1.26 CCCCCCOC1C=C(CCC1)C 34a_100011218613_100000210314 [0,1,0,1,0,0|2,0,0]=4 20773 B14R1.26 CCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210314 [0,1,0,1,0,0|1,0,0]=3 20774 B14R1.26 CCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210314 [0,1,0,1,0,0|2,0,0]=4 20775 B14R1.26 CCCCCOCC1CCCC(=O)N1 34a_200000102386_100000718602 [0,1,0,1,0,0|1,0,0]=3 20776 B14R1.26 CCCCCOCC1CCNC(=O)C1 34a_100009886756_100000718602 [0,1,0,1,0,0|2,0,0]=4 20777 B14R1.26 CCCCCOCC1COCC(=O)N1 34a_200000101122_100000718602 [0,1,0,1,0,0|2,0,0]=4 20778 B14R1.26 CCCCOCOC1CCCC(=O)C1 34a_100012613340_100011995733 [0,1,0,1,0,0|2,0,0]=4 20779 B14R1.26 CCCOCCOC1CCCC(=O)C1 34a_100012613340_100011215938 [0,1,0,1,0,0|2,0,0]=4 20780 B14R1.26 CCOCCCOC1CCCC(=O)C1 34a_100012613340_100012232248 [0,1,0,1,0,0|2,0,0]=4 20781 B14R1.26 CCOCCOCC1CCCC(=O)N1 34a_200000102386_100000210147 [0,1,0,1,0,0|2,0,0]=4 20782 B14R1.26 CCSCCOCC1CCCC(=O)N1 34a_200000102386_100000757381 [0,1,0,1,0,0|2,0,0]=4 20783 B14R1.26 CN1CCCC(C1)CSCCCC=O 62a_100000752043_200011292268 [0,1,0,1,0,0|2,0,0]=4 20784 B14R1.26 CN1CCCC(C1)CSCCCC=O 62a_200011292268_100000752043 [0,1,0,1,0,0|2,0,0]=4 20785 B14R1.26 COCCCCOC1CCCC(=O)C1 34a_100012613340_100000755781 [0,1,0,1,0,0|2,0,0]=4 20786 B14R1.26 COCCCOCC1CCCC(=O)N1 34a_200000102386_100000740836 [0,1,0,1,0,0|2,0,0]=4 20787 B14R1.26 C[C@H]1CCCN(C1)CCCCCC=O 2230a_100000717927_100000139337 [0,1,0,1,0,0|1,0,0]=3 20788 B14R1.26 C[C@H]1CCCN(C1)CCCCCC=O 269982a_100000717927_100000139337 [0,1,0,1,0,0|1,0,0]=3 20789 B14R1.26 O=C1CCCC(C1)OCCCCCF 34a_100012613340_100000729378 [0,1,0,1,0,0|2,0,0]=4 20790 B14R1.26 O=C1CCCC(C1)OCCCCCO 34a_100012613340_100000746330 [0,1,0,1,0,0|2,0,0]=4 20791 B14R1.26 O=C1CCCC(N1)COCCCCF 34a_200000102386_100000729493 [0,1,0,1,0,0|2,0,0]=4 20792 B14R1.26 O=C1CCCC(N1)COCCCCO 34a_200000102386_100011216708 [0,1,0,1,0,0|2,0,0]=4 20793 B14R1.26 O=CCCCCCN1CCCC(C1)F 2230a_100000697950_100000139337 [0,1,0,1,0,0|1,0,0]=3 20794 B14R1.26 O=CCCCCCN1CCCC(C1)F 269982a_100000697950_100000139337 [0,1,0,1,0,0|1,0,0]=3 20795 B14R1.26 O=CCCCCCN1CCCC(C1)O 2230a_100000211013_100000139337 [0,1,0,1,0,0|1,0,0]=3 20796 B14R1.26 O=CCCCCCN1CCCC(C1)O 269982a_100000211013_100000139337 [0,1,0,1,0,0|1,0,0]=3 20797 B14R1.26 O=CCCCCCN1CCOC(C1)O 2230a_100000688207_100000139337 [0,1,0,1,0,0|2,0,0]=4 20798 B14R1.26 O=CCCCCCN1CCOC(C1)O 269982a_100000688207_100000139337 [0,1,0,1,0,0|2,0,0]=4 20799 B14R1.26 O=CCCCCNC1CCCC(C1)O 2230a_100015190357_100000139335 [0,1,0,1,0,0|1,0,0]=3 20800 B14R1.26 O=CCCCNCC1CCCC(C1)O 2230a_100011254705_200011292268 [0,1,0,1,0,0|1,0,0]=3 20801 B14R1.40 BrCCCCCCCOC1CCCC1 34a_100000760002_100000179811 [0,1,0,1,0,0|1,0,1]=4 20802 B14R1.40 BrCCCCCCCOC1CCCC1 7a_100000760002_100000179811 [0,1,0,1,0,0|1,0,1]=4 20803 B14R1.40 BrCCCCCCOCC1CCCC1 34a_100011215345_100000740388 [0,1,0,1,0,0|1,0,1]=4 20804 B14R1.40 BrCCCCCCOCC1CCCC1 7a_100011215345_100000740388 [0,1,0,1,0,0|1,0,1]=4 20805 B14R1.40 BrCCCCCOCCC1CCCC1 34a_100000746331_100000760354 [0,1,0,1,0,0|1,0,1]=4 20806 B14R1.40 BrCCCCCOCCC1CCCC1 7a_100000746331_100000760354 [0,1,0,1,0,0|1,0,1]=4 20807 B14R1.40 BrCCCCOCCCC1CCCC1 34a_100011216708_100011713738 [0,1,0,1,0,0|1,0,1]=4 20808 B14R1.40 C#CCCCCCCCN1CCCC1 2230a_100000188435_100153394163 [0,1,0,1,0,0|1,0,1]=4 20809 B14R1.40 C#CCCCCCCCN1CCCC1 269982a_100000188435_100153394163 [0,1,0,1,0,0|1,0,1]=4 20810 B14R1.40 C#CCCCCCCNC1CCCC1 2230a_100000211070_100012276617 [0,1,0,1,0,0|1,0,1]=4 20811 B14R1.40 C#CCCCCCCNC1CCCC1 34a_100000211070_100012276617 [0,1,0,1,0,0|1,0,1]=4 20812 B14R1.40 C#CCCCCCCOC1CCCC1 34a_100000210269_100012276617 [0,1,0,1,0,0|1,0,1]=4 20813 B14R1.40 C#CCCCCCCOC1CCCC1 34a_100011217361_100000179811 [0,1,0,1,0,0|1,0,1]=4 20814 B14R1.40 C#CCCCCCCOC1CCCC1 7a_100000210269_100012276617 [0,1,0,1,0,0|1,0,1]=4 20815 B14R1.40 C#CCCCCCCOC1CCCC1 7a_100011217361_100000179811 [0,1,0,1,0,0|1,0,1]=4 20816 B14R1.40 C#CCCCCCCSC1CCCC1 62a_100011217020_100012276617 [0,1,0,1,0,0|1,0,1]=4 20817 B14R1.40 C#CCCCCCCSC1CCCC1 62a_100012276617_100000179811 [0,1,0,1,0,0|1,0,1]=4 20818 B14R1.40 C#CCCCCCNCC1CCCC1 2230a_100000737975_100012094781 [0,1,0,1,0,0|1,0,1]=4 20819 B14R1.40 C#CCCCCCNCC1CCCC1 34a_100000737975_100012094781 [0,1,0,1,0,0|1,0,1]=4 20820 B14R1.40 C#CCCCCCOCC1CCCC1 34a_100000742336_100012094781 [0,1,0,1,0,0|1,0,1]=4 20821 B14R1.40 C#CCCCCCOCC1CCCC1 34a_100000766912_100000740388 [0,1,0,1,0,0|1,0,1]=4 20822 B14R1.40 C#CCCCCCOCC1CCCC1 7a_100000742336_100012094781 [0,1,0,1,0,0|1,0,1]=4 20823 B14R1.40 C#CCCCCCOCC1CCCC1 7a_100000766912_100000740388 [0,1,0,1,0,0|1,0,1]=4 20824 B14R1.40 C#CCCCCCSCC1CCCC1 62a_100000740388_100012094781 [0,1,0,1,0,0|1,0,1]=4 20825 B14R1.40 C#CCCCCCSCC1CCCC1 62a_100012094781_100000740388 [0,1,0,1,0,0|1,0,1]=4 20826 B14R1.40 C#CCCCCNCCC1CCCC1 2230a_100000706060_100000760354 [0,1,0,1,0,0|1,0,1]=4 20827 B14R1.40 C#CCCCCNCCC1CCCC1 2230a_100000739158_100010269958 [0,1,0,1,0,0|1,0,1]=4 20828 B14R1.40 C#CCCCCNCCC1CCCC1 34a_100000706060_100000760354 [0,1,0,1,0,0|1,0,1]=4 20829 B14R1.40 C#CCCCCNCCC1CCCC1 34a_100000739158_100010269958 [0,1,0,1,0,0|1,0,1]=4 20830 B14R1.40 C#CCCCCOCCC1CCCC1 34a_100000749090_100010269958 [0,1,0,1,0,0|1,0,1]=4 20831 B14R1.40 C#CCCCCOCCC1CCCC1 34a_100000766709_100000760354 [0,1,0,1,0,0|1,0,1]=4 20832 B14R1.40 C#CCCCCOCCC1CCCC1 7a_100000749090_100010269958 [0,1,0,1,0,0|1,0,1]=4 20833 B14R1.40 C#CCCCCOCCC1CCCC1 7a_100000766709_100000760354 [0,1,0,1,0,0|1,0,1]=4 20834 B14R1.40 C#CCCCCSCCC1CCCC1 62a_100000760354_100010269958 [0,1,0,1,0,0|1,0,1]=4 20835 B14R1.40 C#CCCCCSCCC1CCCC1 62a_100010269958_100000760354 [0,1,0,1,0,0|1,0,1]=4 20836 B14R1.40 C#CCCCNCCCC1CCCC1 2230a_100000736752_100000731252 [0,1,0,1,0,0|1,0,1]=4 20837 B14R1.40 C#CCCCNCCCC1CCCC1 34a_100000718082_100011713738 [0,1,0,1,0,0|1,0,1]=4 20838 B14R1.40 C#CCCCNCCCC1CCCC1 34a_100000736752_100000695029 [0,1,0,1,0,0|1,0,1]=4 20839 B14R1.40 C#CCCCOCCCC1CCCC1 34a_100000215630_100011713738 [0,1,0,1,0,0|1,0,1]=4 20840 B14R1.40 C#CCCCOCCCC1CCCC1 34a_100011215328_100000695029 [0,1,0,1,0,0|1,0,1]=4 20841 B14R1.40 C#CCCCOCCCC1CCCC1 7a_100000215630_100011713738 [0,1,0,1,0,0|1,0,1]=4 20842 B14R1.40 C#CCCCOCCCC1CCCC1 7a_100011215328_100011215417 [0,1,0,1,0,0|1,0,1]=4 20843 B14R1.40 C#CCCCSCCCC1CCCC1 62a_100011215417_100011713738 [0,1,0,1,0,0|1,0,1]=4 20844 B14R1.40 C#CCCCSCCCC1CCCC1 62a_100011713738_100011215417 [0,1,0,1,0,0|1,0,1]=4 20845 B14R1.40 C/C=C/CCOCCCC1CCCC1 34a_100016278192_100011713738 [0,1,0,1,0,0|1,0,1]=4 20846 B14R1.40 C=CCCCCCCCN1CCCC1 2230a_100000188435_100012355270 [0,1,0,1,0,0|1,0,0]=3 20847 B14R1.40 C=CCCCCCCCN1CCCC1 269982a_100000188435_100012355270 [0,1,0,1,0,0|1,0,0]=3 20848 B14R1.40 C=CCCCCCCCN1CCSC1 2230a_100011215254_100012355270 [0,1,0,1,0,0|2,0,0]=4 20849 B14R1.40 C=CCCCCCCCN1CCSC1 269982a_100011215254_100012355270 [0,1,0,1,0,0|2,0,0]=4 20850 B14R1.40 C=CCCCCCCNC1CCCC1 2230a_100000211070_100011215473 [0,1,0,1,0,0|1,0,0]=3 20851 B14R1.40 C=CCCCCCCNC1CCCC1 34a_100000211070_100011215473 [0,1,0,1,0,0|1,0,0]=3 20852 B14R1.40 C=CCCCCCCN[C@@H]1CCOC1 2230a_200015188469_100011215473 [0,1,0,1,0,0|2,0,0]=4 20853 B14R1.40 C=CCCCCCCN[C@H]1CCOC1 2230a_100015188467_100011215473 [0,1,0,1,0,0|2,0,0]=4 20854 B14R1.40 C=CCCCCCCN[C@H]1CCOC1 34a_100015188467_100011215473 [0,1,0,1,0,0|2,0,0]=4 20855 B14R1.40 C=CCCCCCCOC1CCCC1 34a_100000210269_100011215473 [0,1,0,1,0,0|1,0,0]=3 20856 B14R1.40 C=CCCCCCCOC1CCCC1 34a_200011216477_100000179811 [0,1,0,1,0,0|1,0,0]=3 20857 B14R1.40 C=CCCCCCCOC1CCCC1 7a_100000210269_100011215473 [0,1,0,1,0,0|1,0,0]=3 20858 B14R1.40 C=CCCCCCCOC1CCCC1 7a_200011216477_100000179811 [0,1,0,1,0,0|1,0,0]=3 20859 B14R1.40 C=CCCCCCCOC1CCCO1 34a_100000085407_100011215473 [0,1,0,1,0,0|2,0,0]=4 20860 B14R1.40 C=CCCCCCCOC1CCOC1 34a_200011216477_100000690089 [0,1,0,1,0,0|2,0,0]=4 20861 B14R1.40 C=CCCCCCCOC1CCOC1 7a_200011216477_100000731011 [0,1,0,1,0,0|2,0,0]=4 20862 B14R1.40 C=CCCCCCCOC1CCSC1 7a_100011232664_100011215473 [0,1,0,1,0,0|2,0,0]=4 20863 B14R1.40 C=CCCCCCCO[C@H]1CCOC1 34a_100000717292_100011215473 [0,1,0,1,0,0|2,0,0]=4 20864 B14R1.40 C=CCCCCCCSC1CCCC1 62a_100011215473_100000179811 [0,1,0,1,0,0|1,0,0]=3 20865 B14R1.40 C=CCCCCCCSC1CCCC1 62a_100011217020_100011215473 [0,1,0,1,0,0|1,0,0]=3 20866 B14R1.40 C=CCCCCCCSC1CCOC1 62a_100011215473_100000690089 [0,1,0,1,0,0|2,0,0]=4 20867 B14R1.40 C=CCCCCCNCC1CCCC1 2230a_100000737975_100000700193 [0,1,0,1,0,0|1,0,0]=3 20868 B14R1.40 C=CCCCCCNCC1CCCC1 34a_100000737975_100000700193 [0,1,0,1,0,0|1,0,0]=3 20869 B14R1.40 C=CCCCCCNCC1CCOC1 2230a_100000737293_100000700193 [0,1,0,1,0,0|2,0,0]=4 20870 B14R1.40 C=CCCCCCNCC1CCOC1 34a_100000737293_100000700193 [0,1,0,1,0,0|2,0,0]=4 20871 B14R1.40 C=CCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000700193 [0,1,0,1,0,0|2,0,0]=4 20872 B14R1.40 C=CCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000700193 [0,1,0,1,0,0|2,0,0]=4 20873 B14R1.40 C=CCCCCCOCC1CCCC1 34a_100000742336_100000700193 [0,1,0,1,0,0|1,0,0]=3 20874 B14R1.40 C=CCCCCCOCC1CCCC1 34a_100011216702_100000740388 [0,1,0,1,0,0|1,0,0]=3 20875 B14R1.40 C=CCCCCCOCC1CCCC1 7a_100000742336_100000700193 [0,1,0,1,0,0|1,0,0]=3 20876 B14R1.40 C=CCCCCCOCC1CCCC1 7a_100011216702_100000740388 [0,1,0,1,0,0|1,0,0]=3 20877 B14R1.40 C=CCCCCCOCC1CCCO1 34a_100000210270_100000700193 [0,1,0,1,0,0|2,0,0]=4 20878 B14R1.40 C=CCCCCCOCC1CCCO1 7a_100000210270_100000700193 [0,1,0,1,0,0|2,0,0]=4 20879 B14R1.40 C=CCCCCCOCC1CCCO1 7a_100011216702_100000203698 [0,1,0,1,0,0|2,0,0]=4 20880 B14R1.40 C=CCCCCCOCC1CCNC1 34a_100000748654_100000700193 [0,1,0,1,0,0|2,0,0]=4 20881 B14R1.40 C=CCCCCCOCC1CCOC1 34a_100000740260_100000700193 [0,1,0,1,0,0|2,0,0]=4 20882 B14R1.40 C=CCCCCCOCC1CCOC1 34a_100011216702_100011261433 [0,1,0,1,0,0|2,0,0]=4 20883 B14R1.40 C=CCCCCCOCC1CCOC1 7a_100011216702_100000702531 [0,1,0,1,0,0|2,0,0]=4 20884 B14R1.40 C=CCCCCCOC[C@H]1CCCN1 34a_100000745186_100000700193 [0,1,0,1,0,0|2,0,0]=4 20885 B14R1.40 C=CCCCCCSCC1CCCC1 62a_100000700193_100000740388 [0,1,0,1,0,0|1,0,0]=3 20886 B14R1.40 C=CCCCCCSCC1CCCC1 62a_100000740388_100000700193 [0,1,0,1,0,0|1,0,0]=3 20887 B14R1.40 C=CCCCCCSCC1CCCO1 62a_100000203698_100000700193 [0,1,0,1,0,0|2,0,0]=4 20888 B14R1.40 C=CCCCCCSCC1CCCO1 62a_100000700193_100000203698 [0,1,0,1,0,0|2,0,0]=4 20889 B14R1.40 C=CCCCCCSCC1CCOC1 62a_100000700193_100000702531 [0,1,0,1,0,0|2,0,0]=4 20890 B14R1.40 C=CCCCCCSCC1CCOC1 62a_100000702531_100000700193 [0,1,0,1,0,0|2,0,0]=4 20891 B14R1.40 C=CCCCCNCCC1CCCC1 2230a_100000703577_100000760354 [0,1,0,1,0,0|1,0,0]=3 20892 B14R1.40 C=CCCCCNCCC1CCCC1 2230a_100000739158_100011215482 [0,1,0,1,0,0|1,0,0]=3 20893 B14R1.40 C=CCCCCNCCC1CCCC1 34a_100000703577_100000760354 [0,1,0,1,0,0|1,0,0]=3 20894 B14R1.40 C=CCCCCNCCC1CCCC1 34a_100000739158_100011215482 [0,1,0,1,0,0|1,0,0]=3 20895 B14R1.40 C=CCCCCOCCC1CCCC1 34a_100000749090_100011215482 [0,1,0,1,0,0|1,0,0]=3 20896 B14R1.40 C=CCCCCOCCC1CCCC1 34a_100000766645_100000760354 [0,1,0,1,0,0|1,0,0]=3 20897 B14R1.40 C=CCCCCOCCC1CCCC1 7a_100000749090_100011215482 [0,1,0,1,0,0|1,0,0]=3 20898 B14R1.40 C=CCCCCOCCC1CCCC1 7a_100000766645_100000760354 [0,1,0,1,0,0|1,0,0]=3 20899 B14R1.40 C=CCCCCOCCC1CCNC1 34a_100016987287_100011215482 [0,1,0,1,0,0|2,0,0]=4 20900 B14R1.40 C=CCCCCOCCC1CCOC1 34a_100011879284_100011215482 [0,1,0,1,0,0|2,0,0]=4 20901 B14R1.40 C=CCCCCOCCN1CCCC1 7a_100000766645_100000004467 [0,1,0,1,0,0|2,0,0]=4 20902 B14R1.40 C=CCCCCSCCC1CCCC1 62a_100000760354_100011215482 [0,1,0,1,0,0|1,0,0]=3 20903 B14R1.40 C=CCCCCSCCC1CCCC1 62a_100011215482_100000760354 [0,1,0,1,0,0|1,0,0]=3 20904 B14R1.40 C=CCCCCSCCN1CCCC1 62a_100000700749_100011215482 [0,1,0,1,0,0|2,0,0]=4 20905 B14R1.40 C=CCCCCSCCN1CCCC1 62a_100011215482_100000004467 [0,1,0,1,0,0|2,0,0]=4 20906 B14R1.40 C=CCCCNCCCC1CCCC1 2230a_100000700776_100011713738 [0,1,0,1,0,0|1,0,0]=3 20907 B14R1.40 C=CCCCNCCCC1CCCC1 2230a_100000736752_100011713584 [0,1,0,1,0,0|1,0,0]=3 20908 B14R1.40 C=CCCCNCCCC1CCCC1 34a_100000700776_100011713738 [0,1,0,1,0,0|1,0,0]=3 20909 B14R1.40 C=CCCCNCCCC1CCCC1 34a_100000736752_100000757094 [0,1,0,1,0,0|1,0,0]=3 20910 B14R1.40 C=CCCCNCCCN1CCCC1 2230a_100000700776_100011445909 [0,1,0,1,0,0|2,0,0]=4 20911 B14R1.40 C=CCCCNCCCN1CCCC1 34a_100000700776_100016991639 [0,1,0,1,0,0|2,0,0]=4 20912 B14R1.40 C=CCCCNCCOC1CCCC1 34a_100000741755_100000757094 [0,1,0,1,0,0|2,0,0]=4 20913 B14R1.40 C=CCCCOCCCC1CCCC1 34a_100000758997_100011713738 [0,1,0,1,0,0|1,0,0]=3 20914 B14R1.40 C=CCCCOCCCC1CCCC1 34a_100011215328_100000757094 [0,1,0,1,0,0|1,0,0]=3 20915 B14R1.40 C=CCCCOCCCC1CCCC1 7a_100000758997_100011713738 [0,1,0,1,0,0|1,0,0]=3 20916 B14R1.40 C=CCCCOCCCC1CCCC1 7a_100011215328_100000757094 [0,1,0,1,0,0|1,0,0]=3 20917 B14R1.40 C=CCCCOCCCN1CCCC1 34a_100000758997_100016991639 [0,1,0,1,0,0|2,0,0]=4 20918 B14R1.40 C=CCCCOCCCN1CCCC1 7a_100000758997_100011445909 [0,1,0,1,0,0|2,0,0]=4 20919 B14R1.40 C=CCCCOCCNC1CCCC1 34a_200000200444_100000757094 [0,1,0,1,0,0|2,0,0]=4 20920 B14R1.40 C=CCCCOCCOC1CCCC1 34a_100000738311_100000757094 [0,1,0,1,0,0|2,0,0]=4 20921 B14R1.40 C=CCCCOCCOC1CCCC1 7a_100000738311_100000757094 [0,1,0,1,0,0|2,0,0]=4 20922 B14R1.40 C=CCCCSCCCC1CCCC1 62a_100011713584_100011713738 [0,1,0,1,0,0|1,0,0]=3 20923 B14R1.40 C=CCCCSCCCC1CCCC1 62a_100011713738_100000757094 [0,1,0,1,0,0|1,0,0]=3 20924 B14R1.40 C=CCCCSCCCN1CCCC1 62a_100011713584_100011445909 [0,1,0,1,0,0|2,0,0]=4 20925 B14R1.40 C=CCCCSCCCN1CCCC1 62a_100016991639_100000757094 [0,1,0,1,0,0|2,0,0]=4 20926 B14R1.40 C=CCCNCCCOC1CCCC1 34a_100000747560_100000754431 [0,1,0,1,0,0|2,0,0]=4 20927 B14R1.40 C=CCOCCOCCC1CCCC1 34a_100000037705_100000760354 [0,1,0,1,0,0|2,0,0]=4 20928 B14R1.40 C=CCOCCOCCC1CCCC1 7a_100000037705_100000760354 [0,1,0,1,0,0|2,0,0]=4 20929 B14R1.40 C=COCCCCOCC1CCCC1 34a_100000031558_100000740388 [0,1,0,1,0,0|2,0,0]=4 20930 B14R1.40 C=COCCCCOCC1CCCC1 7a_100000031558_100000740388 [0,1,0,1,0,0|2,0,0]=4 20931 B14R1.40 C=COCCCNCCC1CCCC1 2230a_100000210767_100000760354 [0,1,0,1,0,0|2,0,0]=4 20932 B14R1.40 C=COCCCNCCC1CCCC1 34a_100000210767_100000760354 [0,1,0,1,0,0|2,0,0]=4 20933 B14R1.40 C=COCCNCCCC1CCCC1 2230a_100000736752_100000039644 [0,1,0,1,0,0|2,0,0]=4 20934 B14R1.40 C=COCCNCCCC1CCCC1 34a_100000736752_100000039644 [0,1,0,1,0,0|2,0,0]=4 20935 B14R1.40 C=COCCOCCCC1CCCC1 34a_100000033082_100011713738 [0,1,0,1,0,0|2,0,0]=4 20936 B14R1.40 C=COCCOCCCC1CCCC1 34a_100011215328_100000039644 [0,1,0,1,0,0|2,0,0]=4 20937 B14R1.40 C=COCCOCCCC1CCCC1 7a_100011215328_100000039644 [0,1,0,1,0,0|2,0,0]=4 20938 B14R1.40 C=COCCSCCCC1CCCC1 62a_100000039644_100011713738 [0,1,0,1,0,0|2,0,0]=4 20939 B14R1.40 C=COCCSCCCC1CCCC1 62a_100011713738_100000039644 [0,1,0,1,0,0|2,0,0]=4 20940 B14R1.40 CC=CCCCOCCC1CCCC1 34a_100020645299_100000760354 [0,1,0,1,0,0|1,0,1]=4 20941 B14R1.40 CCCCCCCCCN1CC=CC1 269982a_100015195280_100000210670 [0,1,0,1,0,0|1,0,1]=4 20942 B14R1.40 CCCCCCCCCN1CCCC1 2230a_100000188435_100011214924 [0,1,0,1,0,0|1,0,1]=4 20943 B14R1.40 CCCCCCCCCN1CCCC1 269982a_100000188435_100000210670 [0,1,0,1,0,0|1,0,1]=4 20944 B14R1.40 CCCCCCCCCN1CCSC1 2230a_100011215254_100011214924 [0,1,0,1,0,0|2,0,0]=4 20945 B14R1.40 CCCCCCCCCN1CCSC1 269982a_100011215254_100000210670 [0,1,0,1,0,0|2,0,0]=4 20946 B14R1.40 CCCCCCCCNC1CC=CC1 2230a_100015188752_100000210759 [0,1,0,1,0,0|1,0,1]=4 20947 B14R1.40 CCCCCCCCNC1CCCC1 2230a_100000211070_100000210759 [0,1,0,1,0,0|1,0,1]=4 20948 B14R1.40 CCCCCCCCNC1CCCC1 2230a_100000229939_100000179811 [0,1,0,1,0,0|1,0,1]=4 20949 B14R1.40 CCCCCCCCNC1CCCC1 270004a_100000229939_100000210133 [0,1,0,1,0,0|1,0,1]=4 20950 B14R1.40 CCCCCCCCNC1CCCC1 34a_100000211070_100000210759 [0,1,0,1,0,0|1,0,1]=4 20951 B14R1.40 CCCCCCCCNC1CCCC1 34a_100000229939_100000179811 [0,1,0,1,0,0|1,0,1]=4 20952 B14R1.40 CCCCCCCCNC1CCOC1 2230a_100000229939_100000731011 [0,1,0,1,0,0|2,0,0]=4 20953 B14R1.40 CCCCCCCCNC1CCOC1 270004a_100000229939_100000752484 [0,1,0,1,0,0|2,0,0]=4 20954 B14R1.40 CCCCCCCCNC1CCOC1 34a_100000229939_100000690089 [0,1,0,1,0,0|2,0,0]=4 20955 B14R1.40 CCCCCCCCNC1CCSC1 270004a_100000229939_100000212027 [0,1,0,1,0,0|2,0,0]=4 20956 B14R1.40 CCCCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210759 [0,1,0,1,0,0|2,0,0]=4 20957 B14R1.40 CCCCCCCCN[C@H]1CCOC1 2230a_100015188467_100000210759 [0,1,0,1,0,0|2,0,0]=4 20958 B14R1.40 CCCCCCCCN[C@H]1CCOC1 34a_100015188467_100000210759 [0,1,0,1,0,0|2,0,0]=4 20959 B14R1.40 CCCCCCCCOC1CCCC1 34a_100000210232_100000179811 [0,1,0,1,0,0|1,0,1]=4 20960 B14R1.40 CCCCCCCCOC1CCCC1 34a_100000210269_100000210759 [0,1,0,1,0,0|1,0,1]=4 20961 B14R1.40 CCCCCCCCOC1CCCC1 7a_100000210232_100000179811 [0,1,0,1,0,0|1,0,1]=4 20962 B14R1.40 CCCCCCCCOC1CCCC1 7a_100000210269_100000210759 [0,1,0,1,0,0|1,0,1]=4 20963 B14R1.40 CCCCCCCCOC1CCCO1 34a_100000085407_100000210759 [0,1,0,1,0,0|0,0,2]=4 20964 B14R1.40 CCCCCCCCOC1CCOC1 34a_100000210232_100000690089 [0,1,0,1,0,0|2,0,0]=4 20965 B14R1.40 CCCCCCCCOC1CCOC1 7a_100000210232_100000731011 [0,1,0,1,0,0|2,0,0]=4 20966 B14R1.40 CCCCCCCCOC1CCSC1 7a_100011232664_100000210759 [0,1,0,1,0,0|2,0,0]=4 20967 B14R1.40 CCCCCCCCO[C@H]1CCOC1 34a_100000717292_100000210759 [0,1,0,1,0,0|2,0,0]=4 20968 B14R1.40 CCCCCCCCSC1CCCC1 62a_100000210759_100000179811 [0,1,0,1,0,0|1,0,1]=4 20969 B14R1.40 CCCCCCCCSC1CCCC1 62a_100011217020_100000210317 [0,1,0,1,0,0|1,0,1]=4 20970 B14R1.40 CCCCCCCCSC1CCOC1 62a_100000210759_100000690089 [0,1,0,1,0,0|2,0,0]=4 20971 B14R1.40 CCCCCCCNCC1CCCC1 2230a_100000229938_100000740388 [0,1,0,1,0,0|1,0,1]=4 20972 B14R1.40 CCCCCCCNCC1CCCC1 2230a_100000737975_100000210681 [0,1,0,1,0,0|1,0,1]=4 20973 B14R1.40 CCCCCCCNCC1CCCC1 269862a_100000229938_100000746403 [0,1,0,1,0,0|1,0,1]=4 20974 B14R1.40 CCCCCCCNCC1CCCC1 34a_100000737975_100000210614 [0,1,0,1,0,0|1,0,1]=4 20975 B14R1.40 CCCCCCCNCC1CCCO1 2230a_100000229938_100000203698 [0,1,0,1,0,0|0,0,2]=4 20976 B14R1.40 CCCCCCCNCC1CCOC1 2230a_100000229938_100000702531 [0,1,0,1,0,0|2,0,0]=4 20977 B14R1.40 CCCCCCCNCC1CCOC1 2230a_100000737293_100000210681 [0,1,0,1,0,0|2,0,0]=4 20978 B14R1.40 CCCCCCCNCC1CCOC1 34a_100000737293_100000210614 [0,1,0,1,0,0|2,0,0]=4 20979 B14R1.40 CCCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210681 [0,1,0,1,0,0|0,0,2]=4 20980 B14R1.40 CCCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000210614 [0,1,0,1,0,0|0,0,2]=4 20981 B14R1.40 CCCCCCCOCC1CC=CC1 34a_100000688395_100000210614 [0,1,0,1,0,0|1,0,1]=4 20982 B14R1.40 CCCCCCCOCC1CCCC1 34a_100000210272_100000740388 [0,1,0,1,0,0|1,0,1]=4 20983 B14R1.40 CCCCCCCOCC1CCCC1 34a_100000742336_100000210614 [0,1,0,1,0,0|1,0,1]=4 20984 B14R1.40 CCCCCCCOCC1CCCC1 7a_100000210272_100000740388 [0,1,0,1,0,0|1,0,1]=4 20985 B14R1.40 CCCCCCCOCC1CCCC1 7a_100000742336_100000210614 [0,1,0,1,0,0|1,0,1]=4 20986 B14R1.40 CCCCCCCOCC1CCCO1 34a_100000210270_100000210614 [0,1,0,1,0,0|0,0,2]=4 20987 B14R1.40 CCCCCCCOCC1CCCO1 7a_100000210270_100000210614 [0,1,0,1,0,0|0,0,2]=4 20988 B14R1.40 CCCCCCCOCC1CCCO1 7a_100000210272_100000203698 [0,1,0,1,0,0|0,0,2]=4 20989 B14R1.40 CCCCCCCOCC1CCNC1 34a_100000748654_100000210614 [0,1,0,1,0,0|2,0,0]=4 20990 B14R1.40 CCCCCCCOCC1CCOC1 34a_100000210272_100011261433 [0,1,0,1,0,0|2,0,0]=4 20991 B14R1.40 CCCCCCCOCC1CCOC1 34a_100000740260_100000210614 [0,1,0,1,0,0|2,0,0]=4 20992 B14R1.40 CCCCCCCOCC1CCOC1 7a_100000210272_100000702531 [0,1,0,1,0,0|2,0,0]=4 20993 B14R1.40 CCCCCCCOC[C@H]1CCCN1 34a_100000745186_100000210614 [0,1,0,1,0,0|1,0,1]=4 20994 B14R1.40 CCCCCCCSCC1CCCC1 62a_100000210614_100000740388 [0,1,0,1,0,0|1,0,1]=4 20995 B14R1.40 CCCCCCCSCC1CCCC1 62a_100000740388_100000210316 [0,1,0,1,0,0|1,0,1]=4 20996 B14R1.40 CCCCCCCSCC1CCCO1 62a_100000203698_100000210316 [0,1,0,1,0,0|0,0,2]=4 20997 B14R1.40 CCCCCCCSCC1CCCO1 62a_100000210614_100000203698 [0,1,0,1,0,0|0,0,2]=4 20998 B14R1.40 CCCCCCCSCC1CCOC1 62a_100000210614_100000702531 [0,1,0,1,0,0|2,0,0]=4 20999 B14R1.40 CCCCCCCSCC1CCOC1 62a_100000702531_100000210316 [0,1,0,1,0,0|2,0,0]=4 21000 B14R1.40 CCCCCCNCCC1CCCC1 2230a_100000210581_100000760354 [0,1,0,1,0,0|1,0,1]=4 21001 B14R1.40 CCCCCCNCCC1CCCC1 2230a_100000739158_100000210314 [0,1,0,1,0,0|1,0,1]=4 21002 B14R1.40 CCCCCCNCCC1CCCC1 34a_100000739158_100000210314 [0,1,0,1,0,0|1,0,1]=4 21003 B14R1.40 CCCCCCOCCC1CCCC1 34a_100000210259_100000760354 [0,1,0,1,0,0|1,0,1]=4 21004 B14R1.40 CCCCCCOCCC1CCCC1 34a_100000749090_100000210314 [0,1,0,1,0,0|1,0,1]=4 21005 B14R1.40 CCCCCCOCCC1CCCC1 7a_100000210259_100000760354 [0,1,0,1,0,0|1,0,1]=4 21006 B14R1.40 CCCCCCOCCC1CCCC1 7a_100000749090_100000210314 [0,1,0,1,0,0|1,0,1]=4 21007 B14R1.40 CCCCCCOCCC1CCNC1 34a_100016987287_100000210314 [0,1,0,1,0,0|2,0,0]=4 21008 B14R1.40 CCCCCCOCCC1CCOC1 34a_100011879284_100000210314 [0,1,0,1,0,0|2,0,0]=4 21009 B14R1.40 CCCCCCSCCC1CCCC1 62a_100000210314_100000760354 [0,1,0,1,0,0|1,0,1]=4 21010 B14R1.40 CCCCCCSCCC1CCCC1 62a_100000760354_100000210757 [0,1,0,1,0,0|1,0,1]=4 21011 B14R1.40 CCCCCNCCCC1CCCC1 2230a_100000209983_100011713738 [0,1,0,1,0,0|1,0,1]=4 21012 B14R1.40 CCCCCNCCCC1CCCC1 2230a_100000736752_100000210326 [0,1,0,1,0,0|1,0,1]=4 21013 B14R1.40 CCCCCNCCCC1CCCC1 34a_100000736752_100000718602 [0,1,0,1,0,0|1,0,1]=4 21014 B14R1.40 CCCCCOCCCC1CCCC1 34a_100000210253_100011713738 [0,1,0,1,0,0|1,0,1]=4 21015 B14R1.40 CCCCCOCCCC1CCCC1 34a_100011215328_100000718602 [0,1,0,1,0,0|1,0,1]=4 21016 B14R1.40 CCCCCOCCCC1CCCC1 7a_100000210253_100011713738 [0,1,0,1,0,0|1,0,1]=4 21017 B14R1.40 CCCCCOCCCC1CCCC1 7a_100011215328_100000210326 [0,1,0,1,0,0|1,0,1]=4 21018 B14R1.40 CCCCCSCCCC1CCCC1 62a_100000210326_100011713738 [0,1,0,1,0,0|1,0,1]=4 21019 B14R1.40 CCCCCSCCCC1CCCC1 62a_100011713738_100000210326 [0,1,0,1,0,0|1,0,1]=4 21020 B14R1.40 CNCCCCCOCC1CCCC1 34a_100000722520_100000740388 [0,1,0,1,0,0|2,0,0]=4 21021 B14R1.40 CNCCCOCCCC1CCCC1 34a_100000213112_100011713738 [0,1,0,1,0,0|2,0,0]=4 21022 B14R1.40 COCCCCCCNC1CCCC1 2230a_100000211070_100011998445 [0,1,0,1,0,0|2,0,0]=4 21023 B14R1.40 COCCCCCCNC1CCCC1 34a_100000211070_100011998445 [0,1,0,1,0,0|2,0,0]=4 21024 B14R1.40 COCCCCCCOC1CCCC1 34a_100000210269_100011998445 [0,1,0,1,0,0|2,0,0]=4 21025 B14R1.40 COCCCCCCOC1CCCC1 34a_200012092642_100000179811 [0,1,0,1,0,0|2,0,0]=4 21026 B14R1.40 COCCCCCCOC1CCCC1 7a_100000210269_100011998445 [0,1,0,1,0,0|2,0,0]=4 21027 B14R1.40 COCCCCCCOC1CCCC1 7a_200012092642_100000179811 [0,1,0,1,0,0|2,0,0]=4 21028 B14R1.40 COCCCCCCSC1CCCC1 62a_100011217020_100011998445 [0,1,0,1,0,0|2,0,0]=4 21029 B14R1.40 COCCCCCCSC1CCCC1 62a_100011998445_100000179811 [0,1,0,1,0,0|2,0,0]=4 21030 B14R1.40 COCCCCCNCC1CCCC1 2230a_100000747528_100000740388 [0,1,0,1,0,0|2,0,0]=4 21031 B14R1.40 COCCCCCNCC1CCCC1 269862a_100000747528_100000746403 [0,1,0,1,0,0|2,0,0]=4 21032 B14R1.40 COCCCCCNCC1CCCC1 34a_100000747528_100000740388 [0,1,0,1,0,0|2,0,0]=4 21033 B14R1.40 COCCCCNCCC1CCCC1 2230a_100000739158_100000730899 [0,1,0,1,0,0|2,0,0]=4 21034 B14R1.40 COCCCCNCCC1CCCC1 34a_100000739158_100000755781 [0,1,0,1,0,0|2,0,0]=4 21035 B14R1.40 COCCCCOCCC1CCCC1 34a_100000740925_100000760354 [0,1,0,1,0,0|2,0,0]=4 21036 B14R1.40 COCCCCOCCC1CCCC1 34a_100000749090_100000755781 [0,1,0,1,0,0|2,0,0]=4 21037 B14R1.40 COCCCCOCCC1CCCC1 7a_100000749090_100000730899 [0,1,0,1,0,0|2,0,0]=4 21038 B14R1.40 COCCCCSCCC1CCCC1 62a_100000730899_100000760354 [0,1,0,1,0,0|2,0,0]=4 21039 B14R1.40 COCCCCSCCC1CCCC1 62a_100000760354_100000730899 [0,1,0,1,0,0|2,0,0]=4 21040 B14R1.40 COCCCNCCCC1CCCC1 2230a_100000736752_100000740836 [0,1,0,1,0,0|2,0,0]=4 21041 B14R1.40 COCCCNCCCC1CCCC1 34a_100000736752_100000740836 [0,1,0,1,0,0|2,0,0]=4 21042 B14R1.40 COCCCNCCCC1CCCC1 34a_100150723488_100011713738 [0,1,0,1,0,0|2,0,0]=4 21043 B14R1.40 COCCCOCCCC1CCCC1 34a_100000740835_100011713738 [0,1,0,1,0,0|2,0,0]=4 21044 B14R1.40 COCCCOCCCC1CCCC1 34a_100011215328_100000740836 [0,1,0,1,0,0|2,0,0]=4 21045 B14R1.40 COCCCOCCCC1CCCC1 7a_100011215328_100000740836 [0,1,0,1,0,0|2,0,0]=4 21046 B14R1.40 COCCCSCCCC1CCCC1 62a_100000709357_100011713738 [0,1,0,1,0,0|2,0,0]=4 21047 B14R1.40 COCCCSCCCC1CCCC1 62a_100011713738_100000709357 [0,1,0,1,0,0|2,0,0]=4 21048 B14R1.40 CSCCCCOCCC1CCCC1 34a_100011217163_100000760354 [0,1,0,1,0,0|2,0,0]=4 21049 B14R1.40 CSCCCCOCCC1CCCC1 7a_100011217163_100000760354 [0,1,0,1,0,0|2,0,0]=4 21050 B14R1.40 CSCCCNCCCC1CCCC1 2230a_100000749238_100011713738 [0,1,0,1,0,0|2,0,0]=4 21051 B14R1.40 CSCCCOCCCC1CCCC1 34a_100000690336_100011713738 [0,1,0,1,0,0|2,0,0]=4 21052 B14R1.40 CSCCCOCCCC1CCCC1 7a_100000690336_100011713738 [0,1,0,1,0,0|2,0,0]=4 21053 B14R1.40 ClCCCCCCOCC1CCCC1 34a_100000766143_100000740388 [0,1,0,1,0,0|1,0,1]=4 21054 B14R1.40 ClCCCCCCOCC1CCCC1 7a_100000766143_100000740388 [0,1,0,1,0,0|1,0,1]=4 21055 B14R1.40 ClCCCCCOCCC1CCCC1 34a_100000746330_100000760354 [0,1,0,1,0,0|1,0,1]=4 21056 B14R1.40 ClCCCCCOCCC1CCCC1 7a_100000746330_100000760354 [0,1,0,1,0,0|1,0,1]=4 21057 B14R1.40 ClCCCCOCCCC1CCCC1 34a_100000210776_100011713738 [0,1,0,1,0,0|1,0,1]=4 21058 B14R1.40 ClCCCCOCCCC1CCCC1 7a_100000210776_100011713738 [0,1,0,1,0,0|1,0,1]=4 21059 B14R1.40 FCCCCCCNCC1CCCC1 2230a_100000737975_100015922095 [0,1,0,1,0,0|1,0,1]=4 21060 B14R1.40 FCCCCCCNCC1CCCC1 34a_100000737975_100015922095 [0,1,0,1,0,0|1,0,1]=4 21061 B14R1.40 FCCCCCCOCC1CCCC1 34a_100000732779_100000740388 [0,1,0,1,0,0|1,0,1]=4 21062 B14R1.40 FCCCCCCOCC1CCCC1 34a_100000742336_100015922095 [0,1,0,1,0,0|1,0,1]=4 21063 B14R1.40 FCCCCCCOCC1CCCC1 7a_100000732779_100000740388 [0,1,0,1,0,0|1,0,1]=4 21064 B14R1.40 FCCCCCCOCC1CCCC1 7a_100000742336_100015922095 [0,1,0,1,0,0|1,0,1]=4 21065 B14R1.40 FCCCCCCSCC1CCCC1 62a_100000740388_100015922095 [0,1,0,1,0,0|1,0,1]=4 21066 B14R1.40 FCCCCCCSCC1CCCC1 62a_100015922095_100000740388 [0,1,0,1,0,0|1,0,1]=4 21067 B14R1.40 FCCCCCNCCC1CCCC1 2230a_100000739158_100000729378 [0,1,0,1,0,0|1,0,1]=4 21068 B14R1.40 FCCCCCNCCC1CCCC1 34a_100000739158_100000729378 [0,1,0,1,0,0|1,0,1]=4 21069 B14R1.40 FCCCCCOCCC1CCCC1 34a_100000749090_100000729378 [0,1,0,1,0,0|1,0,1]=4 21070 B14R1.40 FCCCCCOCCC1CCCC1 7a_100000749090_100000729378 [0,1,0,1,0,0|1,0,1]=4 21071 B14R1.40 FCCCCCSCCC1CCCC1 62a_100000729378_100000760354 [0,1,0,1,0,0|1,0,1]=4 21072 B14R1.40 FCCCCCSCCC1CCCC1 62a_100000760354_100000729378 [0,1,0,1,0,0|1,0,1]=4 21073 B14R1.40 FCCCCNCCCC1CCCC1 2230a_100000736752_100000729493 [0,1,0,1,0,0|1,0,1]=4 21074 B14R1.40 FCCCCNCCCC1CCCC1 34a_100000736752_100000729493 [0,1,0,1,0,0|1,0,1]=4 21075 B14R1.40 FCCCCOCCCC1CCCC1 34a_100011215328_100000729493 [0,1,0,1,0,0|1,0,1]=4 21076 B14R1.40 FCCCCOCCCC1CCCC1 34a_100011995726_100011713738 [0,1,0,1,0,0|1,0,1]=4 21077 B14R1.40 FCCCCOCCCC1CCCC1 7a_100011215328_100000729493 [0,1,0,1,0,0|1,0,1]=4 21078 B14R1.40 FCCCCOCCCC1CCCC1 7a_100011995726_100011713738 [0,1,0,1,0,0|1,0,1]=4 21079 B14R1.40 FCCCCSCCCC1CCCC1 62a_100000729493_100011713738 [0,1,0,1,0,0|1,0,1]=4 21080 B14R1.40 FCCCCSCCCC1CCCC1 62a_100011713738_100000729493 [0,1,0,1,0,0|1,0,1]=4 21081 B14R1.40 ICCCCCOCCC1CCCC1 34a_200012148887_100000760354 [0,1,0,1,0,0|1,0,1]=4 21082 B14R1.40 ICCCCCOCCC1CCCC1 7a_200012148887_100000760354 [0,1,0,1,0,0|1,0,1]=4 21083 B14R1.40 ICCCCOCCCC1CCCC1 34a_200012148704_100011713738 [0,1,0,1,0,0|1,0,1]=4 21084 B14R1.40 N#CCCCCCCNC1CCCC1 2230a_100000211070_100009813337 [0,1,0,1,0,0|1,0,1]=4 21085 B14R1.40 N#CCCCCCCOC1CCCC1 7a_100000210269_100009813337 [0,1,0,1,0,0|1,0,1]=4 21086 B14R1.40 N#CCCCCCCSC1CCCC1 62a_100009813337_100000179811 [0,1,0,1,0,0|1,0,1]=4 21087 B14R1.40 N#CCCCCCCSC1CCCC1 62a_100011217020_100009813337 [0,1,0,1,0,0|1,0,1]=4 21088 B14R1.40 N#CCCCCCNCC1CCCC1 2230a_100000737975_100009813376 [0,1,0,1,0,0|1,0,1]=4 21089 B14R1.40 N#CCCCCCOCC1CCCC1 7a_100000742336_100009813376 [0,1,0,1,0,0|1,0,1]=4 21090 B14R1.40 N#CCCCCCSCC1CCCC1 62a_100000740388_100009813376 [0,1,0,1,0,0|1,0,1]=4 21091 B14R1.40 N#CCCCCCSCC1CCCC1 62a_100009813376_100000740388 [0,1,0,1,0,0|1,0,1]=4 21092 B14R1.40 N#CCCCCNCCC1CCCC1 2230a_100000739158_100000211819 [0,1,0,1,0,0|1,0,1]=4 21093 B14R1.40 N#CCCCCOCCC1CCCC1 7a_100000749090_100000211819 [0,1,0,1,0,0|1,0,1]=4 21094 B14R1.40 N#CCCCCSCCC1CCCC1 62a_100000760354_100000211819 [0,1,0,1,0,0|1,0,1]=4 21095 B14R1.40 N#CCCCCSCCC1CCCC1 62a_100011219923_100000760354 [0,1,0,1,0,0|1,0,1]=4 21096 B14R1.40 N#CCCCNCCCC1CCCC1 2230a_100000736752_100000687738 [0,1,0,1,0,0|1,0,1]=4 21097 B14R1.40 N#CCCCOCCCC1CCCC1 7a_100011215328_100000687738 [0,1,0,1,0,0|1,0,1]=4 21098 B14R1.40 N#CCCCSCCCC1CCCC1 62a_100000687738_100011713738 [0,1,0,1,0,0|1,0,1]=4 21099 B14R1.40 N#CCCCSCCCC1CCCC1 62a_100011713738_100000687738 [0,1,0,1,0,0|1,0,1]=4 21100 B14R1.40 NCCCCCCCOC1CCCC1 34a_100011996573_100000179811 [0,1,0,1,0,0|1,0,1]=4 21101 B14R1.40 NCCCCCCOCC1CCCC1 34a_100000686447_100000740388 [0,1,0,1,0,0|1,0,1]=4 21102 B14R1.40 NCCCCCOCCC1CCCC1 34a_100000762737_100000760354 [0,1,0,1,0,0|1,0,1]=4 21103 B14R1.40 NCCCCOCCCC1CCCC1 34a_100000750430_100011713738 [0,1,0,1,0,0|1,0,1]=4 21104 B14R1.40 O=CCCCCCNCC1CCCC1 2230a_100000737975_100000139337 [0,1,0,1,0,0|0,0,0]=2 21105 B14R1.40 O=CCCCCCNCC1CCOC1 2230a_100000737293_100000139337 [0,1,0,1,0,0|1,0,0]=3 21106 B14R1.40 O=CCCCCCNCC1OCCO1 2230a_100000036311_100000139337 [0,1,0,1,0,0|2,0,0]=4 21107 B14R1.40 O=CCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000139337 [0,1,0,1,0,0|1,0,0]=3 21108 B14R1.40 O=CCCCCCOCC1CCCC1 7a_100000742336_100000139337 [0,1,0,1,0,0|0,0,0]=2 21109 B14R1.40 O=CCCCCCOCC1CCCO1 7a_100000210270_100000139337 [0,1,0,1,0,0|1,0,0]=3 21110 B14R1.40 O=CCCCCCSCC1CCCC1 62a_100000139337_100000740388 [0,1,0,1,0,0|0,0,0]=2 21111 B14R1.40 O=CCCCCCSCC1CCCC1 62a_100000740388_100000139337 [0,1,0,1,0,0|0,0,0]=2 21112 B14R1.40 O=CCCCCCSCC1CCCO1 62a_100000139337_100000203698 [0,1,0,1,0,0|1,0,0]=3 21113 B14R1.40 O=CCCCCCSCC1CCCO1 62a_100000203698_100000139337 [0,1,0,1,0,0|1,0,0]=3 21114 B14R1.40 O=CCCCCCSCC1CCOC1 62a_100000139337_100000702531 [0,1,0,1,0,0|1,0,0]=3 21115 B14R1.40 O=CCCCCCSCC1CCOC1 62a_100000702531_100000139337 [0,1,0,1,0,0|1,0,0]=3 21116 B14R1.40 O=CCCCCCSCC1OCCO1 62a_100000139337_100000755774 [0,1,0,1,0,0|2,0,0]=4 21117 B14R1.40 O=CCCCCCSCC1OCCO1 62a_100000755774_100000139337 [0,1,0,1,0,0|2,0,0]=4 21118 B14R1.40 O=CCCCCNCCC1CCCC1 2230a_100000739158_100000139335 [0,1,0,1,0,0|0,0,0]=2 21119 B14R1.40 O=CCCCCNCCC1OCCO1 2230a_100000034215_100000139335 [0,1,0,1,0,0|2,0,0]=4 21120 B14R1.40 O=CCCCCOCCC1CCCC1 7a_100000749090_100000139335 [0,1,0,1,0,0|0,0,0]=2 21121 B14R1.40 O=CCCCCSCCC1CCCC1 62a_100000139335_100000760354 [0,1,0,1,0,0|0,0,0]=2 21122 B14R1.40 O=CCCCCSCCC1CCCC1 62a_100000760354_100000139335 [0,1,0,1,0,0|0,0,0]=2 21123 B14R1.40 O=CCCCCSCCC1OCCO1 62a_100000139335_100000740749 [0,1,0,1,0,0|2,0,0]=4 21124 B14R1.40 O=CCCCCSCCN1CCCC1 62a_100000139335_100000004467 [0,1,0,1,0,0|1,0,0]=3 21125 B14R1.40 O=CCCCCSCCN1CCCC1 62a_100000700749_100000139335 [0,1,0,1,0,0|1,0,0]=3 21126 B14R1.40 O=CCCCNCCCC1CCCC1 2230a_100000736752_200011292268 [0,1,0,1,0,0|0,0,0]=2 21127 B14R1.40 O=CCCCOCCCC1CCCC1 7a_100011215328_200011292268 [0,1,0,1,0,0|0,0,0]=2 21128 B14R1.40 O=CCCCOCCCC1OCCO1 7a_100009871617_200011292268 [0,1,0,1,0,0|2,0,0]=4 21129 B14R1.40 O=CCCCOCCOC1CCCC1 7a_100000738311_200011292268 [0,1,0,1,0,0|1,0,0]=3 21130 B14R1.40 O=CCCCSCCCC1CCCC1 62a_100011713738_200011292268 [0,1,0,1,0,0|0,0,0]=2 21131 B14R1.40 O=CCCCSCCCC1CCCC1 62a_200011292268_100011713738 [0,1,0,1,0,0|0,0,0]=2 21132 B14R1.40 O=CCCCSCCCC1OCCO1 62a_200011292268_100000042513 [0,1,0,1,0,0|2,0,0]=4 21133 B14R1.40 O=CCCCSCCCN1CCCC1 62a_100016991639_200011292268 [0,1,0,1,0,0|1,0,0]=3 21134 B14R1.40 O=CCCCSCCCN1CCCC1 62a_200011292268_100011445909 [0,1,0,1,0,0|1,0,0]=3 21135 B14R1.40 O=CCOCCCCOC1CCCO1 34a_100011018183_200009817547 [0,1,0,1,0,0|2,0,0]=4 21136 B14R1.40 O=CCOCCCCOC1CCCO1 7a_100011018183_200015260668 [0,1,0,1,0,0|2,0,0]=4 21137 B14R1.40 OCCCCCCCCN1CCCC1 2230a_100000188435_100000033203 [0,1,0,1,0,0|0,0,2]=4 21138 B14R1.40 OCCCCCCCCN1CCCC1 269982a_100000188435_100000033203 [0,1,0,1,0,0|0,0,2]=4 21139 B14R1.40 OCCCCCCCNC1CCCC1 2230a_100000211070_100000760002 [0,1,0,1,0,0|0,0,2]=4 21140 B14R1.40 OCCCCCCCNC1CCCC1 2230a_100011996573_100000179811 [0,1,0,1,0,0|0,0,2]=4 21141 B14R1.40 OCCCCCCCNC1CCCC1 270004a_100011996573_100000210133 [0,1,0,1,0,0|0,0,2]=4 21142 B14R1.40 OCCCCCCCNC1CCCC1 34a_100000211070_100000760002 [0,1,0,1,0,0|0,0,2]=4 21143 B14R1.40 OCCCCCCCNC1CCCC1 34a_100011996573_100000179811 [0,1,0,1,0,0|0,0,2]=4 21144 B14R1.40 OCCCCCCCOC1CCCC1 34a_100000210269_100000760002 [0,1,0,1,0,0|0,0,2]=4 21145 B14R1.40 OCCCCCCCOC1CCCC1 7a_100000210269_100000760002 [0,1,0,1,0,0|0,0,2]=4 21146 B14R1.40 OCCCCCCCSC1CCCC1 62a_100000760002_100000179811 [0,1,0,1,0,0|0,0,2]=4 21147 B14R1.40 OCCCCCCCSC1CCCC1 62a_100011217020_100000760002 [0,1,0,1,0,0|0,0,2]=4 21148 B14R1.40 OCCCCCCNCC1CCCC1 2230a_100000686447_100000740388 [0,1,0,1,0,0|0,0,2]=4 21149 B14R1.40 OCCCCCCNCC1CCCC1 2230a_100000737975_100000766143 [0,1,0,1,0,0|0,0,2]=4 21150 B14R1.40 OCCCCCCNCC1CCCC1 269862a_100000686447_100000746403 [0,1,0,1,0,0|0,0,2]=4 21151 B14R1.40 OCCCCCCNCC1CCCC1 34a_100000686447_100000740388 [0,1,0,1,0,0|0,0,2]=4 21152 B14R1.40 OCCCCCCNCC1CCCC1 34a_100000737975_100000766143 [0,1,0,1,0,0|0,0,2]=4 21153 B14R1.40 OCCCCCCOCC1CCCC1 34a_100000742336_100000766143 [0,1,0,1,0,0|0,0,2]=4 21154 B14R1.40 OCCCCCCOCC1CCCC1 7a_100000742336_100000766143 [0,1,0,1,0,0|0,0,2]=4 21155 B14R1.40 OCCCCCCSCC1CCCC1 62a_100000740388_100000766143 [0,1,0,1,0,0|0,0,2]=4 21156 B14R1.40 OCCCCCCSCC1CCCC1 62a_100000766143_100000740388 [0,1,0,1,0,0|0,0,2]=4 21157 B14R1.40 OCCCCCNCCC1CCCC1 2230a_100000739158_100000746330 [0,1,0,1,0,0|0,0,2]=4 21158 B14R1.40 OCCCCCNCCC1CCCC1 2230a_100000762737_100000760354 [0,1,0,1,0,0|0,0,2]=4 21159 B14R1.40 OCCCCCNCCC1CCCC1 34a_100000739158_100000746330 [0,1,0,1,0,0|0,0,2]=4 21160 B14R1.40 OCCCCCNCCC1CCCC1 34a_100000762737_100000760354 [0,1,0,1,0,0|0,0,2]=4 21161 B14R1.40 OCCCCCOCCC1CCCC1 34a_100000749090_100000746330 [0,1,0,1,0,0|0,0,2]=4 21162 B14R1.40 OCCCCCOCCC1CCCC1 7a_100000749090_100000746330 [0,1,0,1,0,0|0,0,2]=4 21163 B14R1.40 OCCCCCSCCC1CCCC1 62a_100000746330_100000760354 [0,1,0,1,0,0|0,0,2]=4 21164 B14R1.40 OCCCCCSCCC1CCCC1 62a_100000760354_100000746330 [0,1,0,1,0,0|0,0,2]=4 21165 B14R1.40 OCCCCNCCCC1CCCC1 2230a_100000736752_100000210776 [0,1,0,1,0,0|0,0,2]=4 21166 B14R1.40 OCCCCNCCCC1CCCC1 2230a_100000750430_100011713738 [0,1,0,1,0,0|0,0,2]=4 21167 B14R1.40 OCCCCNCCCC1CCCC1 34a_100000736752_100011216708 [0,1,0,1,0,0|0,0,2]=4 21168 B14R1.40 OCCCCNCCCC1CCCC1 34a_100000750430_100011713738 [0,1,0,1,0,0|0,0,2]=4 21169 B14R1.40 OCCCCOCCCC1CCCC1 34a_100011215328_100011216708 [0,1,0,1,0,0|0,0,2]=4 21170 B14R1.40 OCCCCOCCCC1CCCC1 7a_100011215328_100000210776 [0,1,0,1,0,0|0,0,2]=4 21171 B14R1.40 OCCCCSCCCC1CCCC1 62a_100000210776_100011713738 [0,1,0,1,0,0|0,0,2]=4 21172 B14R1.40 OCCCCSCCCC1CCCC1 62a_100011713738_100000210776 [0,1,0,1,0,0|0,0,2]=4 21173 B14R1.216 C#CCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100012276617 [0,1,0,1,0,0|1,0,1]=4 21174 B14R1.216 C#CCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100012276617 [0,1,0,1,0,0|1,0,1]=4 21175 B14R1.216 C#CCCCCCCN1CCC[C@H]1C 2230a_100015189458_100012276617 [0,1,0,1,0,0|1,0,1]=4 21176 B14R1.216 C#CCCCCCCN1CCC[C@H]1C 269982a_100015189458_100012276617 [0,1,0,1,0,0|1,0,1]=4 21177 B14R1.216 C#CCCCCCCN1CCC[C@H]1C 34a_100015189458_100012276617 [0,1,0,1,0,0|1,0,1]=4 21178 B14R1.216 C#CCCCCCOC1CCCC1=O 34a_100000766912_100000709159 [0,1,0,1,0,0|0,0,2]=4 21179 B14R1.216 C#CCCCCCOC1CCCC1=O 34a_200000719330_100012094781 [0,1,0,1,0,0|0,0,2]=4 21180 B14R1.216 C#CCCCCCOC1CCCC1=O 7a_100000766912_100000211823 [0,1,0,1,0,0|0,0,2]=4 21181 B14R1.216 C#CCCCCCOC1CCCC1C 34a_100011216460_100012094781 [0,1,0,1,0,0|1,0,1]=4 21182 B14R1.216 C#CCCCCCOC1CCCC1C 7a_100011216460_100012094781 [0,1,0,1,0,0|1,0,1]=4 21183 B14R1.216 C#CCCCCCSC1CCCC1=O 62a_100000211823_100012094781 [0,1,0,1,0,0|0,0,2]=4 21184 B14R1.216 C#CCCCCCSC1CCCC1=O 62a_100012094781_100000211823 [0,1,0,1,0,0|0,0,2]=4 21185 B14R1.216 C=CCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100011215473 [0,1,0,1,0,0|1,0,0]=3 21186 B14R1.216 C=CCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100011215473 [0,1,0,1,0,0|1,0,0]=3 21187 B14R1.216 C=CCCCCCCN1CCC[C@H]1C 2230a_100015189458_100011215473 [0,1,0,1,0,0|1,0,0]=3 21188 B14R1.216 C=CCCCCCCN1CCC[C@H]1C 269982a_100015189458_100011215473 [0,1,0,1,0,0|1,0,0]=3 21189 B14R1.216 C=CCCCCCCN1CCC[C@H]1C 34a_100015189458_100011215473 [0,1,0,1,0,0|1,0,0]=3 21190 B14R1.216 C=CCCCCCCN1CCSC1C 2230a_200011216479_100011215473 [0,1,0,1,0,0|2,0,0]=4 21191 B14R1.216 C=CCCCCCCN1CCSC1C 269982a_200011216479_100011215473 [0,1,0,1,0,0|2,0,0]=4 21192 B14R1.216 C=CCCCCCCN1CCSC1C 34a_200011216479_100011215473 [0,1,0,1,0,0|2,0,0]=4 21193 B14R1.216 C=CCCCCCOC1CCCC1=O 34a_100011216702_100000709159 [0,1,0,1,0,0|0,0,2]=4 21194 B14R1.216 C=CCCCCCOC1CCCC1=O 34a_200000719330_100000700193 [0,1,0,1,0,0|0,0,2]=4 21195 B14R1.216 C=CCCCCCOC1CCCC1=O 7a_100011216702_100000211823 [0,1,0,1,0,0|0,0,2]=4 21196 B14R1.216 C=CCCCCCOC1CCCC1C 34a_100011216460_100000700193 [0,1,0,1,0,0|1,0,0]=3 21197 B14R1.216 C=CCCCCCOC1CCCC1C 7a_100011216460_100000700193 [0,1,0,1,0,0|1,0,0]=3 21198 B14R1.216 C=CCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000700193 [0,1,0,1,0,0|2,0,0]=4 21199 B14R1.216 C=CCCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000700193 [0,1,0,1,0,0|2,0,0]=4 21200 B14R1.216 C=CCCCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000700193 [0,1,0,1,0,0|2,0,0]=4 21201 B14R1.216 C=CCCCCCSC1CCCC1=O 62a_100000211823_100000700193 [0,1,0,1,0,0|0,0,2]=4 21202 B14R1.216 C=CCCCCCSC1CCCC1=O 62a_100000700193_100000211823 [0,1,0,1,0,0|0,0,2]=4 21203 B14R1.216 C=CCCCCCS[C@@H]1CCC[C@H]1O 62a_100000700193_200016002552 [0,1,0,1,0,0|2,0,0]=4 21204 B14R1.216 C=CCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000700193 [0,1,0,1,0,0|2,0,0]=4 21205 B14R1.216 C=CCCCCOCC1CCCN1C 34a_100000743107_100011215482 [0,1,0,1,0,0|2,0,0]=4 21206 B14R1.216 C=CCCCNCCC1CCCN1C 2230a_100000700776_100000005710 [0,1,0,1,0,0|2,0,0]=4 21207 B14R1.216 C=CCCCNCCC1CCCN1C 34a_100000700776_100000005710 [0,1,0,1,0,0|2,0,0]=4 21208 B14R1.216 C=CCCCOCCC1CCCN1C 34a_100000758997_100000005710 [0,1,0,1,0,0|2,0,0]=4 21209 B14R1.216 C=CCCCOCCC1CCCN1C 34a_100011215177_100000757094 [0,1,0,1,0,0|2,0,0]=4 21210 B14R1.216 C=CCCCOCCC1CCCN1C 7a_100000758997_100000005710 [0,1,0,1,0,0|2,0,0]=4 21211 B14R1.216 C=CCCCOCCC1CCCN1C 7a_100011215177_100000757094 [0,1,0,1,0,0|2,0,0]=4 21212 B14R1.216 C=CCCCSCCC1CCCN1C 62a_100000005710_100000757094 [0,1,0,1,0,0|2,0,0]=4 21213 B14R1.216 C=CCCCSCCC1CCCN1C 62a_100011713584_100000005710 [0,1,0,1,0,0|2,0,0]=4 21214 B14R1.216 CC/C=C/CCCOC1CCCC1=O 34a_100016287902_100000709159 [0,1,0,1,0,0|0,0,2]=4 21215 B14R1.216 CC/C=C/CCCOC1CCCC1=O 7a_100016287902_100000211823 [0,1,0,1,0,0|0,0,2]=4 21216 B14R1.216 CC1CCCC1NCCCCCCO 269862a_100000686447_100000752053 [0,1,0,1,0,0|0,0,2]=4 21217 B14R1.216 CC1CCCC1OCCCCCC#N 7a_100011216460_100009813376 [0,1,0,1,0,0|1,0,1]=4 21218 B14R1.216 CC1CCCC1OCCCCCC=O 7a_100011216460_100000139337 [0,1,0,1,0,0|0,0,0]=2 21219 B14R1.216 CC1CCCC1OCCCCCCF 34a_100011216460_100015922095 [0,1,0,1,0,0|1,0,1]=4 21220 B14R1.216 CC1CCCC1OCCCCCCF 7a_100011216460_100015922095 [0,1,0,1,0,0|1,0,1]=4 21221 B14R1.216 CC1CCCC1OCCCCCCO 34a_100011216460_100000766143 [0,1,0,1,0,0|0,0,2]=4 21222 B14R1.216 CC1CCCC1OCCCCCCO 7a_100011216460_100000766143 [0,1,0,1,0,0|0,0,2]=4 21223 B14R1.216 CCCC#CCCOC1CCCC1=O 34a_100000042726_100000709159 [0,1,0,1,0,0|0,0,2]=4 21224 B14R1.216 CCCC#CCCOC1CCCC1=O 7a_100000042726_100000211823 [0,1,0,1,0,0|0,0,2]=4 21225 B14R1.216 CCCC/C=C/COC1CCCC1=O 34a_200016272032_100000709159 [0,1,0,1,0,0|0,0,2]=4 21226 B14R1.216 CCCC/C=C/COC1CCCC1=O 7a_200016272032_100000211823 [0,1,0,1,0,0|0,0,2]=4 21227 B14R1.216 CCCCC#CCOC1CCCC1=O 34a_200000034558_100000709159 [0,1,0,1,0,0|0,0,2]=4 21228 B14R1.216 CCCCC#CCOC1CCCC1=O 7a_200000034558_100000211823 [0,1,0,1,0,0|0,0,2]=4 21229 B14R1.216 CCCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210759 [0,1,0,1,0,0|1,0,1]=4 21230 B14R1.216 CCCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210759 [0,1,0,1,0,0|1,0,1]=4 21231 B14R1.216 CCCCCCCCN1CCC[C@H]1C 2230a_100015189458_100000210759 [0,1,0,1,0,0|1,0,1]=4 21232 B14R1.216 CCCCCCCCN1CCC[C@H]1C 269982a_100015189458_100000210759 [0,1,0,1,0,0|1,0,1]=4 21233 B14R1.216 CCCCCCCCN1CCC[C@H]1C 34a_100015189458_100000210759 [0,1,0,1,0,0|1,0,1]=4 21234 B14R1.216 CCCCCCCNC1CCCC1=O 2230a_100000229938_100000211823 [0,1,0,1,0,0|0,0,0]=2 21235 B14R1.216 CCCCCCCNC1CCCC1C 269862a_100000229938_100000752053 [0,1,0,1,0,0|1,0,1]=4 21236 B14R1.216 CCCCCCCNC1CCNC1=O 2230a_100016995588_100000210681 [0,1,0,1,0,0|1,0,0]=3 21237 B14R1.216 CCCCCCCNC1CCNC1=O 34a_100016995588_100000210614 [0,1,0,1,0,0|1,0,0]=3 21238 B14R1.216 CCCCCCCNC1CCOC1=O 2230a_100000229938_100000211211 [0,1,0,1,0,0|1,0,0]=3 21239 B14R1.216 CCCCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210681 [0,1,0,1,0,0|2,0,0]=4 21240 B14R1.216 CCCCCCCN[C@@H]1CONC1=O 34a_100000765999_100000210614 [0,1,0,1,0,0|2,0,0]=4 21241 B14R1.216 CCCCCCCOC1CCCC1=O 34a_100000210272_100000709159 [0,1,0,1,0,0|0,0,0]=2 21242 B14R1.216 CCCCCCCOC1CCCC1=O 34a_200000719330_100000210614 [0,1,0,1,0,0|0,0,0]=2 21243 B14R1.216 CCCCCCCOC1CCCC1=O 7a_100000210272_100000211823 [0,1,0,1,0,0|0,0,0]=2 21244 B14R1.216 CCCCCCCOC1CCCC1C 34a_100011216460_100000210614 [0,1,0,1,0,0|1,0,1]=4 21245 B14R1.216 CCCCCCCOC1CCCC1C 7a_100011216460_100000210614 [0,1,0,1,0,0|1,0,1]=4 21246 B14R1.216 CCCCCCCOC1CCOC1=O 34a_100000210272_100000211211 [0,1,0,1,0,0|1,0,0]=3 21247 B14R1.216 CCCCCCCOC1CCOC1=O 7a_100000210272_100000211211 [0,1,0,1,0,0|1,0,0]=3 21248 B14R1.216 CCCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210614 [0,1,0,1,0,0|1,0,1]=4 21249 B14R1.216 CCCCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210614 [0,1,0,1,0,0|1,0,1]=4 21250 B14R1.216 CCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210614 [0,1,0,1,0,0|1,0,0]=3 21251 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000210614_100000211823 [0,1,0,1,0,0|0,0,0]=2 21252 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000211823_100000210316 [0,1,0,1,0,0|0,0,0]=2 21253 B14R1.216 CCCCCCCSC1CCOC1=O 62a_100000210614_100000211211 [0,1,0,1,0,0|1,0,0]=3 21254 B14R1.216 CCCCCCCSC1CCOC1=O 62a_100000211211_100000210316 [0,1,0,1,0,0|1,0,0]=3 21255 B14R1.216 CCCCCCCS[C@@H]1CCC[C@H]1O 62a_100000210614_200016002552 [0,1,0,1,0,0|0,0,2]=4 21256 B14R1.216 CCCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210316 [0,1,0,1,0,0|0,0,2]=4 21257 B14R1.216 CCCCCCOCC1=CCCC1=O 34a_100000087531_100000210314 [0,1,0,1,0,0|0,0,2]=4 21258 B14R1.216 CCCCCCOCC1CCCN1C 34a_100000743107_100000210314 [0,1,0,1,0,0|2,0,0]=4 21259 B14R1.216 CCCCCCOCC1CCNC1=O 34a_100000133458_100000210314 [0,1,0,1,0,0|1,0,0]=3 21260 B14R1.216 CCCCCCSCN1CCCC1=O 62a_100000026320_100000210757 [0,1,0,1,0,0|1,0,0]=3 21261 B14R1.216 CCCCCCSCN1CCCC1=O 62a_100000210314_100000026320 [0,1,0,1,0,0|1,0,0]=3 21262 B14R1.216 CCCCCNCCC1CCCN1C 2230a_100000209983_100000005710 [0,1,0,1,0,0|2,0,0]=4 21263 B14R1.216 CCCCCNCCN1CCCC1=O 2230a_100000209983_100000739059 [0,1,0,1,0,0|1,0,0]=3 21264 B14R1.216 CCCCCNCCN1CCCC1=O 2230a_100011200922_100000210326 [0,1,0,1,0,0|1,0,0]=3 21265 B14R1.216 CCCCCNCCN1CCNC1=O 2230a_100000209983_100000090651 [0,1,0,1,0,0|2,0,0]=4 21266 B14R1.216 CCCCCNCCN1CCNC1=O 2230a_100011207550_100000210326 [0,1,0,1,0,0|2,0,0]=4 21267 B14R1.216 CCCCCOCCC1CCCN1C 34a_100000210253_100000005710 [0,1,0,1,0,0|2,0,0]=4 21268 B14R1.216 CCCCCOCCC1CCCN1C 34a_100011215177_100000718602 [0,1,0,1,0,0|2,0,0]=4 21269 B14R1.216 CCCCCOCCC1CCCN1C 7a_100000210253_100000005710 [0,1,0,1,0,0|2,0,0]=4 21270 B14R1.216 CCCCCOCCC1CCCN1C 7a_100011215177_100000210326 [0,1,0,1,0,0|2,0,0]=4 21271 B14R1.216 CCCCCOCCN1CCCC1=O 34a_100000210253_100000739059 [0,1,0,1,0,0|1,0,0]=3 21272 B14R1.216 CCCCCOCCN1CCCC1=O 34a_100000211209_100000718602 [0,1,0,1,0,0|1,0,0]=3 21273 B14R1.216 CCCCCOCCN1CCCC1=O 7a_100000210253_100000739059 [0,1,0,1,0,0|1,0,0]=3 21274 B14R1.216 CCCCCOCCN1CCCC1=O 7a_100000211209_100000210326 [0,1,0,1,0,0|1,0,0]=3 21275 B14R1.216 CCCCCOCCN1CCNC1=O 34a_100000216532_100000718602 [0,1,0,1,0,0|2,0,0]=4 21276 B14R1.216 CCCCCOCCN1CCNC1=O 7a_100000210253_100000090651 [0,1,0,1,0,0|2,0,0]=4 21277 B14R1.216 CCCCCSCCC1CCCN1C 62a_100000005710_100000210326 [0,1,0,1,0,0|2,0,0]=4 21278 B14R1.216 CCCCCSCCC1CCCN1C 62a_100000210326_100000005710 [0,1,0,1,0,0|2,0,0]=4 21279 B14R1.216 CCCCCSCCN1CCCC1=O 62a_100000210326_100000739059 [0,1,0,1,0,0|1,0,0]=3 21280 B14R1.216 CCCCCSCCN1CCCC1=O 62a_100000739059_100000210326 [0,1,0,1,0,0|1,0,0]=3 21281 B14R1.216 CCCCCSCCN1CCNC1=O 62a_100000090651_100000210326 [0,1,0,1,0,0|2,0,0]=4 21282 B14R1.216 CCCCCSCCN1CCNC1=O 62a_100000210326_100000090651 [0,1,0,1,0,0|2,0,0]=4 21283 B14R1.216 CCCCNCCCN1CCCC1=O 2230a_100000210347_100000210211 [0,1,0,1,0,0|1,0,0]=3 21284 B14R1.216 CCCCNCCCN1CCCC1=O 34a_100000210347_100000210210 [0,1,0,1,0,0|1,0,0]=3 21285 B14R1.216 CCCCOCCCN1CCCC1=O 34a_100011216539_100000210210 [0,1,0,1,0,0|1,0,0]=3 21286 B14R1.216 CCCCOCCCN1CCCC1=O 7a_100011216539_100000210211 [0,1,0,1,0,0|1,0,0]=3 21287 B14R1.216 CCCCOCCNC1CCNC1=O 2230a_100016995588_100000743108 [0,1,0,1,0,0|2,0,0]=4 21288 B14R1.216 CCCCOCCNC1CCNC1=O 34a_100016995588_100000743108 [0,1,0,1,0,0|2,0,0]=4 21289 B14R1.216 CCCCOCCOC1CCCC1=O 34a_100000210238_100000709159 [0,1,0,1,0,0|1,0,0]=3 21290 B14R1.216 CCCCOCCOC1CCCC1=O 34a_200000719330_100000743108 [0,1,0,1,0,0|1,0,0]=3 21291 B14R1.216 CCCCOCCOC1CCCC1=O 7a_100000210238_100000211823 [0,1,0,1,0,0|1,0,0]=3 21292 B14R1.216 CCCCOCCOC1CCOC1=O 34a_100000210238_100000211211 [0,1,0,1,0,0|2,0,0]=4 21293 B14R1.216 CCCCOCCOC1CCOC1=O 7a_100000210238_100000211211 [0,1,0,1,0,0|2,0,0]=4 21294 B14R1.216 CCCCOCCO[C@H]1CCNC1=O 34a_100000688343_100000743108 [0,1,0,1,0,0|2,0,0]=4 21295 B14R1.216 CCCCOCCSC1CCCC1=O 62a_100000211823_100000743108 [0,1,0,1,0,0|1,0,0]=3 21296 B14R1.216 CCCCOCCSC1CCCC1=O 62a_100000743108_100000211823 [0,1,0,1,0,0|1,0,0]=3 21297 B14R1.216 CCCCOCCSC1CCOC1=O 62a_100000211211_100000743108 [0,1,0,1,0,0|2,0,0]=4 21298 B14R1.216 CCCCOCCSC1CCOC1=O 62a_100000743108_100000211211 [0,1,0,1,0,0|2,0,0]=4 21299 B14R1.216 CCCCOCOCC1CCNC1=O 34a_100000133458_100011995733 [0,1,0,1,0,0|2,0,0]=4 21300 B14R1.216 CCCCOCSCN1CCCC1=O 62a_100000026320_100011995733 [0,1,0,1,0,0|2,0,0]=4 21301 B14R1.216 CCCCOCSCN1CCCC1=O 62a_100011995733_100000026320 [0,1,0,1,0,0|2,0,0]=4 21302 B14R1.216 CCCCSCCNC1CCCC1=O 2230a_100025743550_100000211823 [0,1,0,1,0,0|1,0,0]=3 21303 B14R1.216 CCCCSCCNC1CCOC1=O 2230a_100025743550_100000211211 [0,1,0,1,0,0|2,0,0]=4 21304 B14R1.216 CCCCSCCOC1CCCC1=O 34a_200000230436_100000709159 [0,1,0,1,0,0|1,0,0]=3 21305 B14R1.216 CCCCSCCOC1CCCC1=O 7a_200000230436_100000211823 [0,1,0,1,0,0|1,0,0]=3 21306 B14R1.216 CCCCSCCOC1CCOC1=O 34a_200000230436_100000211211 [0,1,0,1,0,0|2,0,0]=4 21307 B14R1.216 CCCCSCCOC1CCOC1=O 7a_200000230436_100000211211 [0,1,0,1,0,0|2,0,0]=4 21308 B14R1.216 CCCOCCCNC1CCCC1=O 2230a_100011217757_100000211823 [0,1,0,1,0,0|1,0,0]=3 21309 B14R1.216 CCCOCCCNC1CCCC1=O 34a_100011217757_100000709159 [0,1,0,1,0,0|1,0,0]=3 21310 B14R1.216 CCCOCCCNC1CCOC1=O 2230a_100011217757_100000211211 [0,1,0,1,0,0|2,0,0]=4 21311 B14R1.216 CCCOCCCNC1CCOC1=O 34a_100011217757_100000211211 [0,1,0,1,0,0|2,0,0]=4 21312 B14R1.216 CCCOCCOCC1CCNC1=O 34a_100000133458_100011215938 [0,1,0,1,0,0|2,0,0]=4 21313 B14R1.216 CCCOCCSCN1CCCC1=O 62a_100000026320_100011215938 [0,1,0,1,0,0|2,0,0]=4 21314 B14R1.216 CCCOCCSCN1CCCC1=O 62a_100011215938_100000026320 [0,1,0,1,0,0|2,0,0]=4 21315 B14R1.216 CCOCCCOCC1CCNC1=O 34a_100000133458_100012232248 [0,1,0,1,0,0|2,0,0]=4 21316 B14R1.216 CCOCCCSCN1CCCC1=O 62a_100000026320_100012232248 [0,1,0,1,0,0|2,0,0]=4 21317 B14R1.216 CCOCCCSCN1CCCC1=O 62a_100012232248_100000026320 [0,1,0,1,0,0|2,0,0]=4 21318 B14R1.216 CCOCCNCCN1CCCC1=O 2230a_100011200922_100011215890 [0,1,0,1,0,0|2,0,0]=4 21319 B14R1.216 CCOCCNCCN1CCCC1=O 2230a_102516460346_100000739059 [0,1,0,1,0,0|2,0,0]=4 21320 B14R1.216 CCOCCNCCN1CCCC1=O 34a_102516460346_100000739059 [0,1,0,1,0,0|2,0,0]=4 21321 B14R1.216 CCOCCOCCN1CCCC1=O 34a_100000210136_100000739059 [0,1,0,1,0,0|2,0,0]=4 21322 B14R1.216 CCOCCOCCN1CCCC1=O 34a_100000211209_100000210147 [0,1,0,1,0,0|2,0,0]=4 21323 B14R1.216 CCOCCOCCN1CCCC1=O 7a_100000210136_100000739059 [0,1,0,1,0,0|2,0,0]=4 21324 B14R1.216 CCOCCOCCN1CCCC1=O 7a_100000211209_100011215890 [0,1,0,1,0,0|2,0,0]=4 21325 B14R1.216 CCOCCSCCN1CCCC1=O 62a_100000210147_100000739059 [0,1,0,1,0,0|2,0,0]=4 21326 B14R1.216 CCOCCSCCN1CCCC1=O 62a_100000739059_100011215890 [0,1,0,1,0,0|2,0,0]=4 21327 B14R1.216 CCSCCNCCN1CCCC1=O 2230a_100000106463_100000739059 [0,1,0,1,0,0|2,0,0]=4 21328 B14R1.216 CCSCCNCCN1CCCC1=O 2230a_100011200922_100000757381 [0,1,0,1,0,0|2,0,0]=4 21329 B14R1.216 CCSCCOCCN1CCCC1=O 34a_100000211209_100000757381 [0,1,0,1,0,0|2,0,0]=4 21330 B14R1.216 CCSCCOCCN1CCCC1=O 34a_100000212035_100000739059 [0,1,0,1,0,0|2,0,0]=4 21331 B14R1.216 CCSCCOCCN1CCCC1=O 7a_100000211209_100000757381 [0,1,0,1,0,0|2,0,0]=4 21332 B14R1.216 CCSCCOCCN1CCCC1=O 7a_100000212035_100000739059 [0,1,0,1,0,0|2,0,0]=4 21333 B14R1.216 CCSCCSCCN1CCCC1=O 62a_100000739059_100000757381 [0,1,0,1,0,0|2,0,0]=4 21334 B14R1.216 CCSCCSCCN1CCCC1=O 62a_100000757381_100000739059 [0,1,0,1,0,0|2,0,0]=4 21335 B14R1.216 CN1CCCC1CCOCCCC=O 7a_100011215177_200011292268 [0,1,0,1,0,0|1,0,0]=3 21336 B14R1.216 CN1CCCC1CCSCCCC=O 62a_100000005710_200011292268 [0,1,0,1,0,0|1,0,0]=3 21337 B14R1.216 CN1CCCC1CCSCCCC=O 62a_200011292268_100000005710 [0,1,0,1,0,0|1,0,0]=3 21338 B14R1.216 CNCCCCCOC1CCCC1=O 34a_100000722520_100000709159 [0,1,0,1,0,0|1,0,0]=3 21339 B14R1.216 CNCCCCCOC1CCOC1=O 34a_100000722520_100000211211 [0,1,0,1,0,0|2,0,0]=4 21340 B14R1.216 CNCCCOCCN1CCCC1=O 34a_100000213112_100000739059 [0,1,0,1,0,0|2,0,0]=4 21341 B14R1.216 CNCCOCCOC1CCCC1=O 34a_100000228057_100000709159 [0,1,0,1,0,0|2,0,0]=4 21342 B14R1.216 COCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100011998445 [0,1,0,1,0,0|2,0,0]=4 21343 B14R1.216 COCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100011998445 [0,1,0,1,0,0|2,0,0]=4 21344 B14R1.216 COCCCCCCN1CCC[C@H]1C 2230a_100015189458_100011998445 [0,1,0,1,0,0|2,0,0]=4 21345 B14R1.216 COCCCCCCN1CCC[C@H]1C 269982a_100015189458_100011998445 [0,1,0,1,0,0|2,0,0]=4 21346 B14R1.216 COCCCCCCN1CCC[C@H]1C 34a_100015189458_100011998445 [0,1,0,1,0,0|2,0,0]=4 21347 B14R1.216 COCCCCCNC1CCCC1=O 2230a_100000747528_100000211823 [0,1,0,1,0,0|1,0,0]=3 21348 B14R1.216 COCCCCCNC1CCCC1=O 34a_100000747528_100000709159 [0,1,0,1,0,0|1,0,0]=3 21349 B14R1.216 COCCCCCNC1CCCC1C 269862a_100000747528_100000752053 [0,1,0,1,0,0|2,0,0]=4 21350 B14R1.216 COCCCCCNC1CCOC1=O 2230a_100000747528_100000211211 [0,1,0,1,0,0|2,0,0]=4 21351 B14R1.216 COCCCCCNC1CCOC1=O 34a_100000747528_100000211211 [0,1,0,1,0,0|2,0,0]=4 21352 B14R1.216 COCCCCOCC1CCNC1=O 34a_100000133458_100000755781 [0,1,0,1,0,0|2,0,0]=4 21353 B14R1.216 COCCCCSCN1CCCC1=O 62a_100000026320_100000730899 [0,1,0,1,0,0|2,0,0]=4 21354 B14R1.216 COCCCCSCN1CCCC1=O 62a_100000730899_100000026320 [0,1,0,1,0,0|2,0,0]=4 21355 B14R1.216 COCCCNCCN1CCCC1=O 2230a_100011200922_100000740836 [0,1,0,1,0,0|2,0,0]=4 21356 B14R1.216 COCCCNCCN1CCCC1=O 34a_100150723488_100000739059 [0,1,0,1,0,0|2,0,0]=4 21357 B14R1.216 COCCCOCCN1CCCC1=O 34a_100000211209_100000740836 [0,1,0,1,0,0|2,0,0]=4 21358 B14R1.216 COCCCOCCN1CCCC1=O 34a_100000740835_100000739059 [0,1,0,1,0,0|2,0,0]=4 21359 B14R1.216 COCCCOCCN1CCCC1=O 7a_100000211209_100000740836 [0,1,0,1,0,0|2,0,0]=4 21360 B14R1.216 COCCCSCCN1CCCC1=O 62a_100000709357_100000739059 [0,1,0,1,0,0|2,0,0]=4 21361 B14R1.216 COCCCSCCN1CCCC1=O 62a_100000739059_100000709357 [0,1,0,1,0,0|2,0,0]=4 21362 B14R1.216 COCCNCCCN1CCCC1=O 2230a_100000210347_100011201679 [0,1,0,1,0,0|2,0,0]=4 21363 B14R1.216 COCCNCCCN1CCCC1=O 34a_100000210347_100011201679 [0,1,0,1,0,0|2,0,0]=4 21364 B14R1.216 COCCOCCCN1CCCC1=O 34a_100011216539_100011201679 [0,1,0,1,0,0|2,0,0]=4 21365 B14R1.216 COCCOCCCN1CCCC1=O 7a_100011216539_100000233755 [0,1,0,1,0,0|2,0,0]=4 21366 B14R1.216 COCCOCCNC1CCCC1=O 2230a_100000745349_100000211823 [0,1,0,1,0,0|2,0,0]=4 21367 B14R1.216 COCCOCCNC1CCCC1=O 34a_100000745349_100000709159 [0,1,0,1,0,0|2,0,0]=4 21368 B14R1.216 COCCOCCOC1CCCC1=O 34a_100011215163_100000709159 [0,1,0,1,0,0|2,0,0]=4 21369 B14R1.216 COCCOCCOC1CCCC1=O 34a_200000719330_100000695917 [0,1,0,1,0,0|2,0,0]=4 21370 B14R1.216 COCCOCCOC1CCCC1=O 7a_100011215163_100000211823 [0,1,0,1,0,0|2,0,0]=4 21371 B14R1.216 COCCOCCSC1CCCC1=O 62a_100000211823_100000695917 [0,1,0,1,0,0|2,0,0]=4 21372 B14R1.216 COCCOCCSC1CCCC1=O 62a_100000695917_100000211823 [0,1,0,1,0,0|2,0,0]=4 21373 B14R1.216 CSCCCNCCN1CCCC1=O 2230a_100000749238_100000739059 [0,1,0,1,0,0|2,0,0]=4 21374 B14R1.216 CSCCCOCCN1CCCC1=O 34a_100000690336_100000739059 [0,1,0,1,0,0|2,0,0]=4 21375 B14R1.216 CSCCCOCCN1CCCC1=O 7a_100000690336_100000739059 [0,1,0,1,0,0|2,0,0]=4 21376 B14R1.216 CSCCNCCCN1CCCC1=O 2230a_100000210347_100000751147 [0,1,0,1,0,0|2,0,0]=4 21377 B14R1.216 CSCCNCCCN1CCCC1=O 34a_100000210347_100000212216 [0,1,0,1,0,0|2,0,0]=4 21378 B14R1.216 CSCCOCCCN1CCCC1=O 34a_100011216539_100000212216 [0,1,0,1,0,0|2,0,0]=4 21379 B14R1.216 CSCCOCCCN1CCCC1=O 7a_100011216539_100000212216 [0,1,0,1,0,0|2,0,0]=4 21380 B14R1.216 C[C@@H]1CCCN1CCCCCCC#N 2230a_100015189458_100009813337 [0,1,0,1,0,0|1,0,1]=4 21381 B14R1.216 C[C@@H]1CCCN1CCCCCCC#N 269982a_100015189458_100009813337 [0,1,0,1,0,0|1,0,1]=4 21382 B14R1.216 C[C@@H]1CCCN1CCCCCCCO 2230a_100015189458_100000760002 [0,1,0,1,0,0|0,0,2]=4 21383 B14R1.216 C[C@@H]1CCCN1CCCCCCCO 269982a_100015189458_100000760002 [0,1,0,1,0,0|0,0,2]=4 21384 B14R1.216 C[C@@H]1CCCN1CCCCCCCO 34a_100015189458_100000760002 [0,1,0,1,0,0|0,0,2]=4 21385 B14R1.216 C[C@H]1CCCN1CCCCCCC#N 2230a_100020605311_100009813337 [0,1,0,1,0,0|1,0,1]=4 21386 B14R1.216 C[C@H]1CCCN1CCCCCCC#N 269982a_100020605311_100009813337 [0,1,0,1,0,0|1,0,1]=4 21387 B14R1.216 C[C@H]1CCCN1CCCCCCCO 2230a_100020605311_100000760002 [0,1,0,1,0,0|0,0,2]=4 21388 B14R1.216 C[C@H]1CCCN1CCCCCCCO 269982a_100020605311_100000760002 [0,1,0,1,0,0|0,0,2]=4 21389 B14R1.216 N#CCCCCCSC1CCCC1=O 62a_100000211823_100009813376 [0,1,0,1,0,0|1,0,1]=4 21390 B14R1.216 N#CCCCCCSC1CCCC1=O 62a_100009813376_100000211823 [0,1,0,1,0,0|1,0,1]=4 21391 B14R1.216 NCCCCCCOC1CCCC1=O 34a_100000686447_100000709159 [0,1,0,1,0,0|1,0,0]=3 21392 B14R1.216 NCCCCCCOC1CCOC1=O 34a_100000686447_100000211211 [0,1,0,1,0,0|2,0,0]=4 21393 B14R1.216 NCCCCOCCN1CCCC1=O 34a_100000750430_100000739059 [0,1,0,1,0,0|2,0,0]=4 21394 B14R1.216 O=C1CCCC1NCCCCCCO 2230a_100000686447_100000211823 [0,1,0,1,0,0|1,0,0]=3 21395 B14R1.216 O=C1CCCC1NCCCCCCO 34a_100000686447_100000709159 [0,1,0,1,0,0|1,0,0]=3 21396 B14R1.216 O=C1CCCC1OCCCCCCBr 34a_100011215345_100000709159 [0,1,0,1,0,0|1,0,0]=3 21397 B14R1.216 O=C1CCCC1OCCCCCCBr 7a_100011215345_100000211823 [0,1,0,1,0,0|1,0,0]=3 21398 B14R1.216 O=C1CCCC1OCCCCCCCl 34a_100000766143_100000709159 [0,1,0,1,0,0|1,0,0]=3 21399 B14R1.216 O=C1CCCC1OCCCCCCCl 7a_100000766143_100000211823 [0,1,0,1,0,0|1,0,0]=3 21400 B14R1.216 O=C1CCCC1OCCCCCCF 34a_100000732779_100000709159 [0,1,0,1,0,0|1,0,0]=3 21401 B14R1.216 O=C1CCCC1OCCCCCCF 34a_200000719330_100015922095 [0,1,0,1,0,0|1,0,0]=3 21402 B14R1.216 O=C1CCCC1OCCCCCCF 7a_100000732779_100000211823 [0,1,0,1,0,0|1,0,0]=3 21403 B14R1.216 O=C1CCCC1OCCCCCCO 34a_200000719330_100000766143 [0,1,0,1,0,0|1,0,0]=3 21404 B14R1.216 O=C1CCCC1SCCCCCCF 62a_100000211823_100015922095 [0,1,0,1,0,0|1,0,0]=3 21405 B14R1.216 O=C1CCCC1SCCCCCCF 62a_100015922095_100000211823 [0,1,0,1,0,0|1,0,0]=3 21406 B14R1.216 O=C1CCCC1SCCCCCCO 62a_100000211823_100000766143 [0,1,0,1,0,0|1,0,0]=3 21407 B14R1.216 O=C1CCCC1SCCCCCCO 62a_100000766143_100000211823 [0,1,0,1,0,0|1,0,0]=3 21408 B14R1.216 O=C1CCCN1CCCNCCCF 2230a_100000210347_100011934791 [0,1,0,1,0,0|2,0,0]=4 21409 B14R1.216 O=C1CCCN1CCCNCCCF 34a_100000210347_100011934791 [0,1,0,1,0,0|2,0,0]=4 21410 B14R1.216 O=C1CCCN1CCCNCCCO 2230a_100000210347_100000230001 [0,1,0,1,0,0|2,0,0]=4 21411 B14R1.216 O=C1CCCN1CCCNCCCO 34a_100000210347_100000230001 [0,1,0,1,0,0|2,0,0]=4 21412 B14R1.216 O=C1CCCN1CCCOCCCF 34a_100011216539_100011934791 [0,1,0,1,0,0|2,0,0]=4 21413 B14R1.216 O=C1CCCN1CCCOCCCF 7a_100011216539_100011934791 [0,1,0,1,0,0|2,0,0]=4 21414 B14R1.216 O=C1CCCN1CCCOCCCO 34a_100011216539_100000230001 [0,1,0,1,0,0|2,0,0]=4 21415 B14R1.216 O=C1CCCN1CCCOCCCO 7a_100011216539_100011215043 [0,1,0,1,0,0|2,0,0]=4 21416 B14R1.216 O=C1CCCN1CCNCCCCF 2230a_100011200922_100000729493 [0,1,0,1,0,0|2,0,0]=4 21417 B14R1.216 O=C1CCCN1CCNCCCCO 2230a_100000750430_100000739059 [0,1,0,1,0,0|2,0,0]=4 21418 B14R1.216 O=C1CCCN1CCNCCCCO 2230a_100011200922_100000210776 [0,1,0,1,0,0|2,0,0]=4 21419 B14R1.216 O=C1CCCN1CCNCCCCO 34a_100000750430_100000739059 [0,1,0,1,0,0|2,0,0]=4 21420 B14R1.216 O=C1CCCN1CCOCCCCBr 34a_100011216708_100000739059 [0,1,0,1,0,0|2,0,0]=4 21421 B14R1.216 O=C1CCCN1CCOCCCCCl 34a_100000210776_100000739059 [0,1,0,1,0,0|2,0,0]=4 21422 B14R1.216 O=C1CCCN1CCOCCCCCl 7a_100000210776_100000739059 [0,1,0,1,0,0|2,0,0]=4 21423 B14R1.216 O=C1CCCN1CCOCCCCF 34a_100000211209_100000729493 [0,1,0,1,0,0|2,0,0]=4 21424 B14R1.216 O=C1CCCN1CCOCCCCF 34a_100011995726_100000739059 [0,1,0,1,0,0|2,0,0]=4 21425 B14R1.216 O=C1CCCN1CCOCCCCF 7a_100000211209_100000729493 [0,1,0,1,0,0|2,0,0]=4 21426 B14R1.216 O=C1CCCN1CCOCCCCF 7a_100011995726_100000739059 [0,1,0,1,0,0|2,0,0]=4 21427 B14R1.216 O=C1CCCN1CCOCCCCI 34a_200012148704_100000739059 [0,1,0,1,0,0|2,0,0]=4 21428 B14R1.216 O=C1CCCN1CCOCCCCO 34a_100000211209_100011216708 [0,1,0,1,0,0|2,0,0]=4 21429 B14R1.216 O=C1CCCN1CCOCCCCO 7a_100000211209_100000210776 [0,1,0,1,0,0|2,0,0]=4 21430 B14R1.216 O=C1CCCN1CCSCCCCF 62a_100000729493_100000739059 [0,1,0,1,0,0|2,0,0]=4 21431 B14R1.216 O=C1CCCN1CCSCCCCF 62a_100000739059_100000729493 [0,1,0,1,0,0|2,0,0]=4 21432 B14R1.216 O=C1CCCN1CCSCCCCO 62a_100000210776_100000739059 [0,1,0,1,0,0|2,0,0]=4 21433 B14R1.216 O=C1CCCN1CCSCCCCO 62a_100000739059_100000210776 [0,1,0,1,0,0|2,0,0]=4 21434 B14R1.216 O=C1CCCN1CSCCCCCF 62a_100000026320_100000729378 [0,1,0,1,0,0|2,0,0]=4 21435 B14R1.216 O=C1CCCN1CSCCCCCF 62a_100000729378_100000026320 [0,1,0,1,0,0|2,0,0]=4 21436 B14R1.216 O=C1CCCN1CSCCCCCO 62a_100000026320_100000746330 [0,1,0,1,0,0|2,0,0]=4 21437 B14R1.216 O=C1CCCN1CSCCCCCO 62a_100000746330_100000026320 [0,1,0,1,0,0|2,0,0]=4 21438 B14R1.216 O=C1NCCC1COCCCCCF 34a_100000133458_100000729378 [0,1,0,1,0,0|2,0,0]=4 21439 B14R1.216 O=C1NCCC1COCCCCCO 34a_100000133458_100000746330 [0,1,0,1,0,0|2,0,0]=4 21440 B14R1.216 O=C1NCCC1NCCCCCCF 2230a_100016995588_100015922095 [0,1,0,1,0,0|2,0,0]=4 21441 B14R1.216 O=C1NCCC1NCCCCCCF 34a_100016995588_100015922095 [0,1,0,1,0,0|2,0,0]=4 21442 B14R1.216 O=C1NCCC1NCCCCCCO 2230a_100016995588_100000766143 [0,1,0,1,0,0|2,0,0]=4 21443 B14R1.216 O=C1NCCC1NCCCCCCO 34a_100016995588_100000766143 [0,1,0,1,0,0|2,0,0]=4 21444 B14R1.216 O=C1NCC[C@@H]1OCCCCCCF 34a_100000688343_100015922095 [0,1,0,1,0,0|2,0,0]=4 21445 B14R1.216 O=C1NCC[C@@H]1OCCCCCCO 34a_100000688343_100000766143 [0,1,0,1,0,0|2,0,0]=4 21446 B14R1.216 O=C1OCCC1NCCCCCCO 2230a_100000686447_100000211211 [0,1,0,1,0,0|2,0,0]=4 21447 B14R1.216 O=C1OCCC1NCCCCCCO 34a_100000686447_100000211211 [0,1,0,1,0,0|2,0,0]=4 21448 B14R1.216 O=C1OCCC1OCCCCCCBr 34a_100011215345_100000211211 [0,1,0,1,0,0|2,0,0]=4 21449 B14R1.216 O=C1OCCC1OCCCCCCBr 7a_100011215345_100000211211 [0,1,0,1,0,0|2,0,0]=4 21450 B14R1.216 O=C1OCCC1OCCCCCCCl 34a_100000766143_100000211211 [0,1,0,1,0,0|2,0,0]=4 21451 B14R1.216 O=C1OCCC1OCCCCCCCl 7a_100000766143_100000211211 [0,1,0,1,0,0|2,0,0]=4 21452 B14R1.216 O=C1OCCC1OCCCCCCF 34a_100000732779_100000211211 [0,1,0,1,0,0|2,0,0]=4 21453 B14R1.216 O=C1OCCC1OCCCCCCF 7a_100000732779_100000211211 [0,1,0,1,0,0|2,0,0]=4 21454 B14R1.216 O=C1OCCC1SCCCCCCF 62a_100000211211_100015922095 [0,1,0,1,0,0|2,0,0]=4 21455 B14R1.216 O=C1OCCC1SCCCCCCF 62a_100015922095_100000211211 [0,1,0,1,0,0|2,0,0]=4 21456 B14R1.216 O=C1OCCC1SCCCCCCO 62a_100000211211_100000766143 [0,1,0,1,0,0|2,0,0]=4 21457 B14R1.216 O=C1OCCC1SCCCCCCO 62a_100000766143_100000211211 [0,1,0,1,0,0|2,0,0]=4 21458 B14R1.216 O=CCCCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000139337 [0,1,0,1,0,0|2,0,0]=4 21459 B14R1.216 O=CCCCCCSC1CCCC1=O 62a_100000139337_100000211823 [0,1,0,1,0,0|1,0,1]=4 21460 B14R1.216 O=CCCCCCSC1CCCC1=O 62a_100000211823_100000139337 [0,1,0,1,0,0|1,0,1]=4 21461 B14R1.216 O=CCCCCCSC1COCC1O 62a_100000139337_200000725654 [0,1,0,1,0,0|2,0,0]=4 21462 B14R1.216 O=CCCCCCSC1COCC1O 62a_200000725654_100000139337 [0,1,0,1,0,0|2,0,0]=4 21463 B14R1.216 O=CCCCCCS[C@@H]1CCC[C@H]1O 62a_100000139337_200016002552 [0,1,0,1,0,0|1,0,0]=3 21464 B14R1.216 O=CCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000139337 [0,1,0,1,0,0|1,0,0]=3 21465 B14R1.219 C=CCCCNC1CCC(C1)CCC 270004a_100000700776_200012087856 [0,1,0,1,0,0|2,0,0]=4 21466 B14R1.219 CCO[C@H]1CCN(C1)CCCCC=O 2230a_100011787710_100000139335 [0,1,0,1,0,0|2,0,0]=4 21467 B14R1.219 CCO[C@H]1CCN(C1)CCCCC=O 269982a_100011787710_100000139335 [0,1,0,1,0,0|2,0,0]=4 21468 B14R1.219 COCC1CCN(C1)CCCCC=O 2230a_100025706693_100000139335 [0,1,0,1,0,0|2,0,0]=4 21469 B14R1.219 COCC1CCN(C1)CCCCC=O 269982a_100025706693_100000139335 [0,1,0,1,0,0|2,0,0]=4 21470 B14R1.219 O=CCCCCN1CCC(C1)CCO 2230a_100016987287_100000139335 [0,1,0,1,0,0|2,0,0]=4 21471 B14R1.219 O=CCCCCN1CCC(C1)CCO 269982a_100016987287_100000139335 [0,1,0,1,0,0|2,0,0]=4 21472 B14R1.263 C=CCC1CCCCC1N(C)CCC 270004a_100000747261_100011214939 [0,1,0,1,0,0|2,0,0]=4 21473 B14R1.263 C=CCN(C)C1CCCCC1CCC 270004a_100000225617_100011218038 [0,1,0,1,0,0|2,0,0]=4 21474 B14R1.520 C=CCC(=O)CCCC1CCCCC1 1458a_100000210193_100011713725 [0,1,0,1,0,0|1,0,1]=4 21475 B14R1.520 C=CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210623 [0,1,0,1,0,0|1,0,1]=4 21476 B14R1.520 C=CCC(C)COCC1CCCCC1 34a_100009832082_100000211423 [0,1,0,1,0,0|2,0,0]=4 21477 B14R1.520 C=CCC(C)COCC1CCCCC1 7a_100009832082_100000211423 [0,1,0,1,0,0|2,0,0]=4 21478 B14R1.520 C=CCN(C)CCCC1CCCCC1 2230a_100000225617_100011713725 [0,1,0,1,0,0|2,0,0]=4 21479 B14R1.520 C=CCN(C)CCCC1CCCCC1 269982a_100000225617_100011713725 [0,1,0,1,0,0|2,0,0]=4 21480 B14R1.520 C=CC[C@@H](C)OCCC1CCCCC1 34a_100000731007_100011209188 [0,1,0,1,0,0|2,0,0]=4 21481 B14R1.520 C=CC[C@@H](C)OCCC1CCCCC1 7a_100000731007_100011273959 [0,1,0,1,0,0|2,0,0]=4 21482 B14R1.520 C=CC[C@@H](N)COCC1CCCCC1 34a_100020615467_100000211423 [0,1,0,1,0,0|2,0,0]=4 21483 B14R1.520 CCCC(C)CCOC1C=CCCC1 7a_100011217855_100000751183 [0,1,0,1,0,0|2,0,0]=4 21484 B14R1.597 CC(CCO)SC1CCCCCC1=O 62a_100000243696_100009893172 [0,1,0,1,0,0|2,0,0]=4 21485 B14R1.597 CC(CCO)SC1CCCCCC1=O 62a_100009893172_100000243696 [0,1,0,1,0,0|2,0,0]=4 21486 B14R1.597 CCCC(=O)CN1CCCCCC1=O 1458a_100000181294_100000210303 [0,1,0,1,0,0|1,0,1]=4 21487 B14R1.597 CCCC(C)NC1CCCCNC1=O 2230a_100000698827_100000766640 [0,1,0,1,0,0|2,0,0]=4 21488 B14R1.597 CCCC(C)NC1CCCCNC1=O 2230a_100000741246_100000735217 [0,1,0,1,0,0|2,0,0]=4 21489 B14R1.597 CCCC(C)NC1CCCCNC1=O 270004a_100000698827_100000211909 [0,1,0,1,0,0|2,0,0]=4 21490 B14R1.597 CCCC(C)NC1CCCCNC1=O 34a_100000698827_100000766640 [0,1,0,1,0,0|2,0,0]=4 21491 B14R1.597 CCCC(C)OC1CCCCCC1=O 7a_100000764384_100000243696 [0,1,0,1,0,0|1,0,0]=3 21492 B14R1.597 CCCC(C)OC1CCCCNC1=O 7a_100000764384_100000735217 [0,1,0,1,0,0|2,0,0]=4 21493 B14R1.597 CCCC(C)SC1CCCCCC1=O 62a_100000243696_100000766640 [0,1,0,1,0,0|1,0,0]=3 21494 B14R1.597 CCCC(C)SC1CCCCCC1=O 62a_100000766640_100000243696 [0,1,0,1,0,0|1,0,0]=3 21495 B14R1.597 CCCC(C)SC1CCCCNC1=O 62a_100000735217_100000766640 [0,1,0,1,0,0|2,0,0]=4 21496 B14R1.597 CCCC(C)SC1CCCCNC1=O 62a_100000766640_100000735217 [0,1,0,1,0,0|2,0,0]=4 21497 B14R1.597 COCC(C)SC1CCCCCC1=O 62a_100000243696_100000765312 [0,1,0,1,0,0|2,0,0]=4 21498 B14R1.597 COCC(C)SC1CCCCCC1=O 62a_100000765312_100000243696 [0,1,0,1,0,0|2,0,0]=4 21499 B14R1.598 CC(CCN)COC1CCCCC1=O 34a_106354213184_100000754470 [0,1,0,1,0,0|2,0,0]=4 21500 B14R1.598 CC(CCO)OCC1CCCCC1=O 34a_100009861125_100009893172 [0,1,0,1,0,0|2,0,0]=4 21501 B14R1.598 CC(CCO)OCC1CCCCC1=O 7a_100009861125_100009893172 [0,1,0,1,0,0|2,0,0]=4 21502 B14R1.598 CC1CCCCN1CCN(C)CC=O 2230a_200011233311_200015260668 [0,1,0,1,0,0|2,0,0]=4 21503 B14R1.598 CC1CCCCN1CCN(C)CC=O 269982a_200011233311_200015260668 [0,1,0,1,0,0|2,0,0]=4 21504 B14R1.598 CCCC(=O)CCN1CCCCC1=O 1458a_100011236303_100000210303 [0,1,0,1,0,0|1,0,1]=4 21505 B14R1.598 CCCC(=O)CSC1CCCCC1=O 62a_100000204591_100000747444 [0,1,0,1,0,0|1,0,1]=4 21506 B14R1.598 CCCC(=O)CSC1CCCCC1=O 62a_100000747444_100000204591 [0,1,0,1,0,0|1,0,1]=4 21507 B14R1.598 CCCC(C)CNC1CCCNC1=O 2230a_100000747585_100011216630 [0,1,0,1,0,0|2,0,0]=4 21508 B14R1.598 CCCC(C)CNC1CCCNC1=O 270004a_100000747585_100000243154 [0,1,0,1,0,0|2,0,0]=4 21509 B14R1.598 CCCC(C)CNC1CCCNC1=O 34a_100000747585_100011216630 [0,1,0,1,0,0|2,0,0]=4 21510 B14R1.598 CCCC(C)COC1CCCCC1=O 34a_100000688023_100000754470 [0,1,0,1,0,0|1,0,0]=3 21511 B14R1.598 CCCC(C)COC1CCCCC1=O 34a_100011214950_100011216630 [0,1,0,1,0,0|1,0,0]=3 21512 B14R1.598 CCCC(C)COC1CCCCC1=O 7a_100000688023_100000204591 [0,1,0,1,0,0|1,0,0]=3 21513 B14R1.598 CCCC(C)COC1CCCNC1=O 34a_100000073722_100011216630 [0,1,0,1,0,0|2,0,0]=4 21514 B14R1.598 CCCC(C)COC1CCCNC1=O 34a_100000688023_100000687798 [0,1,0,1,0,0|2,0,0]=4 21515 B14R1.598 CCCC(C)COC1CCCNC1=O 7a_100000688023_100000687798 [0,1,0,1,0,0|2,0,0]=4 21516 B14R1.598 CCCC(C)COC1COCCC1=O 34a_100000688023_100012180262 [0,1,0,1,0,0|2,0,0]=4 21517 B14R1.598 CCCC(C)COC1COCCC1=O 7a_100000688023_100012180262 [0,1,0,1,0,0|2,0,0]=4 21518 B14R1.598 CCCC(C)CSC1CCCCC1=O 62a_100000204591_100011216630 [0,1,0,1,0,0|1,0,0]=3 21519 B14R1.598 CCCC(C)CSC1CCCCC1=O 62a_100011216630_100000204591 [0,1,0,1,0,0|1,0,0]=3 21520 B14R1.598 CCCC(C)CSC1CCCNC1=O 62a_100000687798_100011216630 [0,1,0,1,0,0|2,0,0]=4 21521 B14R1.598 CCCC(C)CSC1CCCNC1=O 62a_100011216630_100000687798 [0,1,0,1,0,0|2,0,0]=4 21522 B14R1.598 CCCC(C)CSC1COCCC1=O 62a_100011216630_100012180262 [0,1,0,1,0,0|2,0,0]=4 21523 B14R1.598 CCCC(C)CSC1COCCC1=O 62a_100012180262_100011216630 [0,1,0,1,0,0|2,0,0]=4 21524 B14R1.598 CCCC(C)OCC1CCCCC1=O 34a_100009861125_100000766640 [0,1,0,1,0,0|1,0,0]=3 21525 B14R1.598 CCCC(C)OCC1CCCCC1=O 7a_100009861125_100000766640 [0,1,0,1,0,0|1,0,0]=3 21526 B14R1.598 CCC[C@H](N)COC1CCCCC1=O 34a_100000732646_100000754470 [0,1,0,1,0,0|1,0,0]=3 21527 B14R1.598 CCC[C@H](N)COC1CCCNC1=O 34a_100000732646_100000687798 [0,1,0,1,0,0|2,0,0]=4 21528 B14R1.598 CCC[C@H](N)COC1COCCC1=O 34a_100000732646_100012180262 [0,1,0,1,0,0|2,0,0]=4 21529 B14R1.598 COCC(C)OCC1CCCCC1=O 34a_100009861125_100000765312 [0,1,0,1,0,0|2,0,0]=4 21530 B14R1.598 COCC(C)OCC1CCCCC1=O 7a_100009861125_100000765312 [0,1,0,1,0,0|2,0,0]=4 21531 B14R1.598 COCC(N)COC1CCCCC1=O 34a_100000724102_100000754470 [0,1,0,1,0,0|2,0,0]=4 21532 B14R1.598 COCC(O)CNC1CCCCC1=O 34a_100000756049_100000754470 [0,1,0,1,0,0|2,0,0]=4 21533 B14R1.598 COCC(O)COC1CCCCC1=O 34a_100011214950_100011215053 [0,1,0,1,0,0|2,0,0]=4 21534 B14R1.598 COCC(O)CSC1CCCCC1=O 62a_100000204591_100011215053 [0,1,0,1,0,0|2,0,0]=4 21535 B14R1.598 COCC(O)CSC1CCCCC1=O 62a_100011215053_100000204591 [0,1,0,1,0,0|2,0,0]=4 21536 B14R1.609 C=CCC(C)COCCC1CCCC1 34a_100009832082_100000760354 [0,1,0,1,0,0|2,0,0]=4 21537 B14R1.609 C=CCC(C)COCCC1CCCC1 7a_100009832082_100000760354 [0,1,0,1,0,0|2,0,0]=4 21538 B14R1.609 C=CC[C@@H](C)OCCCC1CCCC1 34a_100000731007_100011713738 [0,1,0,1,0,0|2,0,0]=4 21539 B14R1.609 C=CC[C@@H](C)OCCCC1CCCC1 7a_100000731007_100011713738 [0,1,0,1,0,0|2,0,0]=4 21540 B14R1.609 C=CC[C@@H](N)COCCC1CCCC1 34a_100020615467_100000760354 [0,1,0,1,0,0|2,0,0]=4 21541 B14R1.635 C=CCN(C)C1CCCC1CCCC 270004a_100000225617_100000750825 [0,1,0,1,0,0|2,0,0]=4 21542 B14R1.767 C=C1CC(C1)CNCCCCCC=O 2230a_100102567296_100000139337 [0,1,0,1,0,0|1,0,1]=4 21543 B14R1.767 C=C1CC(C1)CNCCCCCCC 2230a_100102567296_100000210681 [0,1,0,1,0,0|2,0,0]=4 21544 B14R1.767 C=C1CC(C1)CNCCCCCCC 34a_100102567296_100000210614 [0,1,0,1,0,0|2,0,0]=4 21545 B14R1.767 C=C1CC(C1)COCCCCCCC 34a_100011011225_100000210614 [0,1,0,1,0,0|2,0,0]=4 21546 B14R1.767 C=C1CC(C1)NCCCCCCCC 2230a_100132301982_100000210759 [0,1,0,1,0,0|2,0,0]=4 21547 B14R1.767 C=CCCCCCCCN1CC(C1)C 2230a_100000702820_100012355270 [0,1,0,1,0,0|2,0,0]=4 21548 B14R1.767 C=CCCCCCCCN1CC(C1)C 269982a_100000702820_100012355270 [0,1,0,1,0,0|2,0,0]=4 21549 B14R1.767 C=CCCCCCCCN1CC(C1)C 34a_100000702820_100012355270 [0,1,0,1,0,0|2,0,0]=4 21550 B14R1.767 C=CCCCCCCCN1CC(C1)F 2230a_100000690557_100012355270 [0,1,0,1,0,0|2,0,0]=4 21551 B14R1.767 C=CCCCCCCCN1CC(C1)F 269982a_100000690557_100012355270 [0,1,0,1,0,0|2,0,0]=4 21552 B14R1.767 C=CCCCCCCCN1CC(C1)F 34a_100000690557_100012355270 [0,1,0,1,0,0|2,0,0]=4 21553 B14R1.767 C=CCCCCCCCN1CC(C1)O 269982a_100000749847_100012355270 [0,1,0,1,0,0|2,0,0]=4 21554 B14R1.767 C=CCCCCCCNC1CC(C1)F 2230a_100016993743_100011215473 [0,1,0,1,0,0|2,0,0]=4 21555 B14R1.767 C=CCCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011215473 [0,1,0,1,0,0|2,0,0]=4 21556 B14R1.767 C=CCCCCCNCC1CC(C1)O 2230a_100016992100_100000700193 [0,1,0,1,0,0|2,0,0]=4 21557 B14R1.767 C=CCCCCCOCC1CC(C1)Cl 34a_100009874164_100000700193 [0,1,0,1,0,0|2,0,0]=4 21558 B14R1.767 CCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210317 [0,1,0,1,0,0|1,0,0]=3 21559 B14R1.767 CCCCCCCNCC1CC(=O)C1 2230a_100000229938_100009874392 [0,1,0,1,0,0|1,0,0]=3 21560 B14R1.767 CCCCCCCOCC1CC(=O)C1 34a_100000101936_100000210614 [0,1,0,1,0,0|1,0,0]=3 21561 B14R1.767 CCCCCCCOCC1CC(=O)C1 7a_100000210272_100009874392 [0,1,0,1,0,0|1,0,0]=3 21562 B14R1.767 CCCCCCCSCC1CC(=O)C1 62a_100000210614_100009874392 [0,1,0,1,0,0|1,0,0]=3 21563 B14R1.767 CCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210316 [0,1,0,1,0,0|1,0,0]=3 21564 B14R1.767 CCCCOCCOCC1CC(=O)C1 34a_100000101936_100000743108 [0,1,0,1,0,0|2,0,0]=4 21565 B14R1.767 CCCCOCCOCC1CC(=O)C1 7a_100000210238_100009874392 [0,1,0,1,0,0|2,0,0]=4 21566 B14R1.767 CCCCOCCSCC1CC(=O)C1 62a_100000743108_100009874392 [0,1,0,1,0,0|2,0,0]=4 21567 B14R1.767 CCCCOCCSCC1CC(=O)C1 62a_100009874392_100000743108 [0,1,0,1,0,0|2,0,0]=4 21568 B14R1.767 CCCCSCCNCC1CC(=O)C1 2230a_100025743550_100009874392 [0,1,0,1,0,0|2,0,0]=4 21569 B14R1.767 CCCCSCCOCC1CC(=O)C1 7a_200000230436_100009874392 [0,1,0,1,0,0|2,0,0]=4 21570 B14R1.767 CCCOCCCNCC1CC(=O)C1 2230a_100011217757_100009874392 [0,1,0,1,0,0|2,0,0]=4 21571 B14R1.767 COCCCCCCSC1CC(=O)C1 62a_100009894365_100011998445 [0,1,0,1,0,0|2,0,0]=4 21572 B14R1.767 COCCCCCNCC1CC(=O)C1 2230a_100000747528_100009874392 [0,1,0,1,0,0|2,0,0]=4 21573 B14R1.767 O=C1CC(C1)CNCCCCCCO 2230a_100000686447_100009874392 [0,1,0,1,0,0|2,0,0]=4 21574 B14R1.767 O=C1CC(C1)COCCCCCCBr 7a_100011215345_100009874392 [0,1,0,1,0,0|2,0,0]=4 21575 B14R1.767 O=C1CC(C1)COCCCCCCCl 7a_100000766143_100009874392 [0,1,0,1,0,0|2,0,0]=4 21576 B14R1.767 O=C1CC(C1)COCCCCCCF 34a_100000101936_100015922095 [0,1,0,1,0,0|2,0,0]=4 21577 B14R1.767 O=C1CC(C1)COCCCCCCF 7a_100000732779_100009874392 [0,1,0,1,0,0|2,0,0]=4 21578 B14R1.767 O=C1CC(C1)COCCCCCCO 34a_100000101936_100000766143 [0,1,0,1,0,0|2,0,0]=4 21579 B14R1.767 O=C1CC(C1)CSCCCCCCF 62a_100009874392_100015922095 [0,1,0,1,0,0|2,0,0]=4 21580 B14R1.767 O=C1CC(C1)CSCCCCCCF 62a_100015922095_100009874392 [0,1,0,1,0,0|2,0,0]=4 21581 B14R1.767 O=C1CC(C1)CSCCCCCCO 62a_100000766143_100009874392 [0,1,0,1,0,0|2,0,0]=4 21582 B14R1.767 O=C1CC(C1)CSCCCCCCO 62a_100009874392_100000766143 [0,1,0,1,0,0|2,0,0]=4 21583 B14R1.767 O=C1CC(C1)SCCCCCCCO 62a_100009894365_100000760002 [0,1,0,1,0,0|2,0,0]=4 21584 B14R1.767 O=CCCCCCNCC1CC(C1)O 2230a_100016992100_100000139337 [0,1,0,1,0,0|1,0,0]=3 21585 B14R1.767 O=CCCCCCSCC1CC(=O)C1 62a_100000139337_100009874392 [0,1,0,1,0,0|1,0,1]=4 21586 B14R1.767 O=CCCCCCSCC1CC(=O)C1 62a_100009874392_100000139337 [0,1,0,1,0,0|1,0,1]=4 21587 B14R1.774 C=CCCCOC1CCC(CC1C)C 34a_100011539931_100000757094 [0,1,0,1,0,0|2,0,0]=4 21588 B14R1.774 C=CCCCOC1CCC(CC1C)C 7a_100011539931_100000757094 [0,1,0,1,0,0|2,0,0]=4 21589 B14R1.774 CC1CCC(C(C1)C)OCCCC=O 7a_100011539931_200011292268 [0,1,0,1,0,0|1,0,0]=3 21590 B14R1.774 C[C@H]1CN(CCN1CCCCC=O)C 2230a_100012002466_100000139335 [0,1,0,1,0,0|2,0,0]=4 21591 B14R1.774 C[C@H]1CN(CCN1CCCCC=O)C 269982a_100012002466_100000139335 [0,1,0,1,0,0|2,0,0]=4 21592 B14R1.898 CCOC1CCCN(C1)CCCC=O 2230a_100000745229_200011292268 [0,1,0,1,0,0|2,0,0]=4 21593 B14R1.898 CCOC1CCCN(C1)CCCC=O 269982a_100000745229_200011292268 [0,1,0,1,0,0|2,0,0]=4 21594 B14R1.898 COCC1CCCN(C1)CCCC=O 2230a_100000755410_200011292268 [0,1,0,1,0,0|2,0,0]=4 21595 B14R1.898 COCC1CCCN(C1)CCCC=O 269982a_100000755410_200011292268 [0,1,0,1,0,0|2,0,0]=4 21596 B14R1.898 COCCCC1CCCN(C1)CC=O 2230a_200011934583_200015260668 [0,1,0,1,0,0|2,0,0]=4 21597 B14R1.898 COCCCC1CCCN(C1)CC=O 269982a_200011934583_200015260668 [0,1,0,1,0,0|2,0,0]=4 21598 B14R1.898 COCCCC1CCCN(C1)CC=O 34a_200011934583_200009817547 [0,1,0,1,0,0|2,0,0]=4 21599 B14R1.898 O=CCCCN1CCCC(C1)CCO 2230a_100000752241_200011292268 [0,1,0,1,0,0|2,0,0]=4 21600 B14R1.898 O=CCCCN1CCCC(C1)CCO 269982a_100000752241_200011292268 [0,1,0,1,0,0|2,0,0]=4 21601 B14R1.948 CCCC(C)CCOC1CCCC1=O 34a_100011217855_100000709159 [0,1,0,1,0,0|1,0,0]=3 21602 B14R1.948 CCCC(C)CCOC1CCCC1=O 7a_100011217855_100000211823 [0,1,0,1,0,0|1,0,0]=3 21603 B14R1.948 CCCC(C)CCOC1CCOC1=O 34a_100011217855_100000211211 [0,1,0,1,0,0|2,0,0]=4 21604 B14R1.948 CCCC(C)CCOC1CCOC1=O 7a_100011217855_100000211211 [0,1,0,1,0,0|2,0,0]=4 21605 B14R1.948 CCCC(C)COCC1CCNC1=O 34a_100000133458_100011216630 [0,1,0,1,0,0|2,0,0]=4 21606 B14R1.948 CCCC(C)CSCN1CCCC1=O 62a_100000026320_100011216630 [0,1,0,1,0,0|2,0,0]=4 21607 B14R1.948 CCCC(C)CSCN1CCCC1=O 62a_100011216630_100000026320 [0,1,0,1,0,0|2,0,0]=4 21608 B14R1.948 CCCC(C)NCCN1CCCC1=O 2230a_100000741246_100000739059 [0,1,0,1,0,0|2,0,0]=4 21609 B14R1.948 CCCC(C)NCCN1CCCC1=O 2230a_100011200922_100000766640 [0,1,0,1,0,0|2,0,0]=4 21610 B14R1.948 CCCC(C)NCCN1CCCC1=O 270004a_100011200922_100000211909 [0,1,0,1,0,0|2,0,0]=4 21611 B14R1.948 CCCC(C)OCCN1CCCC1=O 34a_100000211209_100000766640 [0,1,0,1,0,0|2,0,0]=4 21612 B14R1.948 CCCC(C)OCCN1CCCC1=O 34a_100000764384_100000739059 [0,1,0,1,0,0|2,0,0]=4 21613 B14R1.948 CCCC(C)OCCN1CCCC1=O 7a_100000211209_100000766640 [0,1,0,1,0,0|2,0,0]=4 21614 B14R1.948 CCCC(C)OCCN1CCCC1=O 7a_100000764384_100000739059 [0,1,0,1,0,0|2,0,0]=4 21615 B14R1.948 CCCC(C)SCCN1CCCC1=O 62a_100000739059_100000766640 [0,1,0,1,0,0|2,0,0]=4 21616 B14R1.948 CCCC(C)SCCN1CCCC1=O 62a_100000766640_100000739059 [0,1,0,1,0,0|2,0,0]=4 21617 B14R1.948 CCC[C@H](N)CCOC1CCCC1=O 34a_100015193777_100000709159 [0,1,0,1,0,0|1,0,0]=3 21618 B14R1.948 CCC[C@H](N)CCOC1CCOC1=O 34a_100015193777_100000211211 [0,1,0,1,0,0|2,0,0]=4 21619 B14R1.963 CCCC(=O)CSCCC1CCC1=O 62a_100000747444_200016118888 [0,1,0,1,0,0|1,0,1]=4 21620 B14R1.963 CCCC(=O)CSCCC1CCC1=O 62a_200016118888_100000747444 [0,1,0,1,0,0|1,0,1]=4 21621 B14R1.963 CCCC(C)CCCOC1CCC1=O 34a_100011713154_100009892977 [0,1,0,1,0,0|1,0,0]=3 21622 B14R1.963 CCCC(C)CCCOC1CCC1=O 7a_100011713154_100009892977 [0,1,0,1,0,0|1,0,0]=3 21623 B14R1.963 CCCC(C)COCCC1CCC1=O 7a_100000688023_200016118888 [0,1,0,1,0,0|1,0,0]=3 21624 B14R1.963 CCCC(C)CSCCC1CCC1=O 62a_100011216630_200016118888 [0,1,0,1,0,0|1,0,0]=3 21625 B14R1.963 CCCC(C)CSCCC1CCC1=O 62a_200016118888_100011216630 [0,1,0,1,0,0|1,0,0]=3 21626 B14R1.963 COCC(O)CNCCC1CCC1=O 2230a_100000756049_200016118888 [0,1,0,1,0,0|2,0,0]=4 21627 B14R1.963 COCC(O)CSCCC1CCC1=O 62a_100011215053_200016118888 [0,1,0,1,0,0|2,0,0]=4 21628 B14R1.963 COCC(O)CSCCC1CCC1=O 62a_200016118888_100011215053 [0,1,0,1,0,0|2,0,0]=4 21629 B14R1.1253 C=CCCCCN1CCCC(CC1)C 2230a_100025706717_100011215482 [0,1,0,1,0,0|2,0,0]=4 21630 B14R1.1253 C=CCCCCN1CCCC(CC1)C 269982a_100025706717_100011215482 [0,1,0,1,0,0|2,0,0]=4 21631 B14R1.1253 C=CCCCCN1CCCC(CC1)C 34a_100025706717_100011215482 [0,1,0,1,0,0|2,0,0]=4 21632 B14R1.1253 C=CCCCCN1CCCC(CC1)O 2230a_100015186869_100011215482 [0,1,0,1,0,0|2,0,0]=4 21633 B14R1.1253 C=CCCCCN1CCCC(CC1)O 269982a_100015186869_100011215482 [0,1,0,1,0,0|2,0,0]=4 21634 B14R1.1253 CC1CCCN(CC1)CCCCC=O 2230a_100025706717_100000139335 [0,1,0,1,0,0|1,0,0]=3 21635 B14R1.1253 CC1CCCN(CC1)CCCCC=O 269982a_100025706717_100000139335 [0,1,0,1,0,0|1,0,0]=3 21636 B14R1.1253 CN1CCCN(CC1)CCCCC=O 2230a_100000211313_100000139335 [0,1,0,1,0,0|2,0,0]=4 21637 B14R1.1253 CN1CCCN(CC1)CCCCC=O 269982a_100000211313_100000139335 [0,1,0,1,0,0|2,0,0]=4 21638 B14R1.1253 O=CCCCCN1CCCC(CC1)O 2230a_100015186869_100000139335 [0,1,0,1,0,0|1,0,0]=3 21639 B14R1.1253 O=CCCCCN1CCCC(CC1)O 269982a_100015186869_100000139335 [0,1,0,1,0,0|1,0,0]=3 21640 B14R1.2357 CCOC1CN(C1)CCCCCC=O 269982a_100000732654_100000139337 [0,1,0,1,0,0|2,0,0]=4 21641 B14R1.2357 COCC1CC(C1)NCCCCC=O 2230a_100012180050_100000139335 [0,1,0,1,0,0|2,0,0]=4 21642 B14R1.2357 COCC1CN(C1)CCCCCC=O 2230a_100016993750_100000139337 [0,1,0,1,0,0|2,0,0]=4 21643 B14R1.2357 COCC1CN(C1)CCCCCC=O 269982a_100016993750_100000139337 [0,1,0,1,0,0|2,0,0]=4 21644 B14R1.3126 CCCCCCNC1CC(OC1=O)C 2230a_100000210581_200000216747 [0,1,0,1,0,0|2,0,0]=4 21645 B14R1.3126 CCCCCCOC1CC(OC1=O)C 34a_100000210259_200000216747 [0,1,0,1,0,0|2,0,0]=4 21646 B14R1.3126 CCCCCCOC1CC(OC1=O)C 7a_100000210259_200000216747 [0,1,0,1,0,0|2,0,0]=4 21647 B14R1.3126 CCCCCCSC1CC(OC1=O)C 62a_100000210314_200000216747 [0,1,0,1,0,0|2,0,0]=4 21648 B14R1.3126 CCCCCCSC1CC(OC1=O)C 62a_200000216747_100000210757 [0,1,0,1,0,0|2,0,0]=4 21649 B14R1.6816 C=CCCCCCCCC(=O)C1CC1 1458a_100000210395_100012355270 [0,1,0,1,0,0|1,0,1]=4 21650 B14R1.6816 C=CCCCCCCCN(C)C1CC1 2230a_100000226674_100012355270 [0,1,0,1,0,0|2,0,0]=4 21651 B14R1.6816 C=CCCCCCCCN(C)C1CC1 269982a_100000226674_100012355270 [0,1,0,1,0,0|2,0,0]=4 21652 B14R1.6816 C=CCCCCCCNC(C)C1CC1 2230a_100000700016_100011215473 [0,1,0,1,0,0|2,0,0]=4 21653 B14R1.6816 C=CCCCCCCNC(C)C1CC1 34a_100000700016_100011215473 [0,1,0,1,0,0|2,0,0]=4 21654 B14R1.6816 C=CCCCCCCOC(C)C1CC1 34a_100000744524_100011215473 [0,1,0,1,0,0|2,0,0]=4 21655 B14R1.6816 C=CCCCCCCOC(C)C1CC1 7a_100000744524_100011215473 [0,1,0,1,0,0|2,0,0]=4 21656 B14R1.6816 C=CCCCCCNCC(O)C1CC1 2230a_100000751198_100000700193 [0,1,0,1,0,0|2,0,0]=4 21657 B14R1.6816 C=CCCCCCNCC(O)C1CC1 34a_100000751198_100000700193 [0,1,0,1,0,0|2,0,0]=4 21658 B14R1.6816 C=CCCCCCOC[C@H](N)C1CC1 34a_100020623730_100000700193 [0,1,0,1,0,0|2,0,0]=4 21659 B14R1.6816 O=CCCCCCNCC(O)C1CC1 2230a_100000751198_100000139337 [0,1,0,1,0,0|1,0,0]=3 21660 B14R1.6816 O=CCCCCCSCC(=O)C1CC1 62a_100000139337_100000746382 [0,1,0,1,0,0|1,0,1]=4 21661 B14R1.6816 O=CCCCCCSCC(=O)C1CC1 62a_100000746382_100000139337 [0,1,0,1,0,0|1,0,1]=4 21662 B14R1.7119 C=CCN(C)C1CCCCCCCC1 270004a_100000225617_100000038600 [0,1,0,1,0,0|2,0,0]=4 21663 B14R1.7146 C=CCC(C)COC1CCCCCC1 34a_100009832082_100011217769 [0,1,0,1,0,0|2,0,0]=4 21664 B14R1.7146 C=CC[C@@H](C)OCC1CCCCCC1 34a_100000731007_200000696569 [0,1,0,1,0,0|2,0,0]=4 21665 B14R1.7146 C=CC[C@@H](C)OCC1CCCCCC1 7a_100000731007_200000696569 [0,1,0,1,0,0|2,0,0]=4 21666 B14R1.7146 C=CC[C@@H](N)COC1CCCCCC1 34a_100020615467_100011217769 [0,1,0,1,0,0|2,0,0]=4 21667 B14R1.7146 CN(CC=O)CCN1CCCCCC1 269982a_106744473495_200015260668 [0,1,0,1,0,0|2,0,0]=4 21668 B14R1.7343 CCCC(C)OC1C=CCCCCC1 34a_100000688657_100000766640 [0,1,0,1,0,0|2,0,0]=4 21669 B14R1.9622 C=CCCCCCCNC1(CCC1)C 2230a_100000692455_100011215473 [0,1,0,1,0,0|2,0,0]=4 21670 B14R1.9622 C=CCCCCCCNC1(CCC1)C 34a_100000692455_100011215473 [0,1,0,1,0,0|2,0,0]=4 21671 B14R1.9622 C=CCCCCCCOC1(CCC1)C 34a_100000759064_100011215473 [0,1,0,1,0,0|2,0,0]=4 21672 B14R1.9622 C=CCCCCCCOC1(CCC1)C 7a_100000759064_100011215473 [0,1,0,1,0,0|2,0,0]=4 21673 B14R1.9622 C=CCCCCCNCC1(CCC1)C 2230a_100000706607_100000700193 [0,1,0,1,0,0|2,0,0]=4 21674 B14R1.9622 C=CCCCCCNCC1(CCC1)O 2230a_100000752638_100000700193 [0,1,0,1,0,0|2,0,0]=4 21675 B14R1.9622 C=CCCCCCOCC1(CCC1)C 34a_100011216702_100000726658 [0,1,0,1,0,0|2,0,0]=4 21676 B14R1.9622 C=CCCCCCOCC1(CCC1)C 7a_100011216702_100000726658 [0,1,0,1,0,0|2,0,0]=4 21677 B14R1.9622 C=CCCCCCSCC1(CCC1)C 62a_100000700193_100000726658 [0,1,0,1,0,0|2,0,0]=4 21678 B14R1.9622 C=CCCCCCSCC1(CCC1)C 62a_100000726658_100000700193 [0,1,0,1,0,0|2,0,0]=4 21679 B14R1.9622 CC1(CCC1)CNCCCCCC=O 2230a_100000706607_100000139337 [0,1,0,1,0,0|1,0,0]=3 21680 B14R1.9622 CC1(CCC1)CSCCCCCC=O 62a_100000139337_100000726658 [0,1,0,1,0,0|1,0,0]=3 21681 B14R1.9622 CC1(CCC1)CSCCCCCC=O 62a_100000726658_100000139337 [0,1,0,1,0,0|1,0,0]=3 21682 B14R1.9622 CC1(COC1)CNCCCCCC=O 2230a_100020631278_100000139337 [0,1,0,1,0,0|2,0,0]=4 21683 B14R1.9622 CC1(COC1)CSCCCCCC=O 62a_100000139337_100009817586 [0,1,0,1,0,0|2,0,0]=4 21684 B14R1.9622 CC1(COC1)CSCCCCCC=O 62a_100009817586_100000139337 [0,1,0,1,0,0|2,0,0]=4 21685 B14R1.9622 CC1(CSC1)COCCCCCC=O 7a_100000732658_100000139337 [0,1,0,1,0,0|2,0,0]=4 21686 B14R1.9622 O=CCCCCCNCC1(CCC1)O 2230a_100000752638_100000139337 [0,1,0,1,0,0|1,0,0]=3 21687 B14R1.9622 O=CCCCCCNCC1(COC1)O 2230a_100010264505_100000139337 [0,1,0,1,0,0|2,0,0]=4 21688 B14R1.16994 CC1CN(CCCN1CCCC=O)C 269982a_100011935175_200011292268 [0,1,0,1,0,0|2,0,0]=4 21689 B14R1.96 C=C(C)CCOC1CCCCC1CC 34a_100000210738_100000730704 [0,1,0,1,0,0|2,0,0]=4 21690 B14R1.96 C=C(C)CCOC1CCCCC1CC 7a_100000210738_100000730704 [0,1,0,1,0,0|2,0,0]=4 21691 B14R1.96 CC(=O)CCCN1CCCCC1CO 269982a_100000210821_100011215641 [0,1,0,1,0,0|2,0,0]=4 21692 B14R1.96 CC(=O)CCCN1CCCCC1CO 34a_100000210821_100000685027 [0,1,0,1,0,0|2,0,0]=4 21693 B14R1.96 CCC1CCCCC1NCCC(=O)N 269862a_100000740010_100000757040 [0,1,0,1,0,0|1,0,0]=3 21694 B14R1.96 CCC1CCCCC1OCCC(=O)C 7a_100000210738_100000053229 [0,1,0,1,0,0|1,0,0]=3 21695 B14R1.96 CCC1CCCCC1OCCC(=O)N 34a_100000210738_100000731001 [0,1,0,1,0,0|1,0,0]=3 21696 B14R1.96 CCC1CCCCC1OCCC(=O)N 7a_100000210738_100000744528 [0,1,0,1,0,0|1,0,0]=3 21697 B14R1.96 CCC1CCCCC1OCOC(=O)C 34a_100000210738_100009813279 [0,1,0,1,0,0|2,0,0]=4 21698 B14R1.96 CCC1CCCCN1CCCC(=O)C 269982a_100000210034_100011215641 [0,1,0,1,0,0|1,0,0]=3 21699 B14R1.96 CCC1CCCCN1CCCC(=O)C 34a_100000210034_100000685027 [0,1,0,1,0,0|1,0,0]=3 21700 B14R1.96 CCC1CCCCN1CCCC(=O)N 269982a_100000210034_100102525003 [0,1,0,1,0,0|1,0,0]=3 21701 B14R1.96 CCC1CCCCN1CCCC(=O)N 34a_100000210034_100102525003 [0,1,0,1,0,0|1,0,0]=3 21702 B14R1.96 CCC1CCCCN1CCNC(=O)C 11a_100000755458_100015343762 [0,1,0,1,0,0|2,0,0]=4 21703 B14R1.96 CCC1CCCCN1CCNC(=O)C 1626a_100000755458_100015343762 [0,1,0,1,0,0|2,0,0]=4 21704 B14R1.96 CCC1CCCCN1CCNC(=O)C 2230a_100000210034_100000189650 [0,1,0,1,0,0|2,0,0]=4 21705 B14R1.96 CCC1CCCCN1CCNC(=O)C 240690a_100000755458_100015343762 [0,1,0,1,0,0|2,0,0]=4 21706 B14R1.96 CCC1CCCCN1CCNC(=O)C 269982a_100000210034_100000189650 [0,1,0,1,0,0|2,0,0]=4 21707 B14R1.96 CCC1CCCCN1CCNC(=O)C 527a_100000755458_100103153847 [0,1,0,1,0,0|2,0,0]=4 21708 B14R1.96 CCC1CCCCN1CCNC(=O)N 2230a_100000210034_200000034859 [0,1,0,1,0,0|2,0,0]=4 21709 B14R1.96 CCC1CCCCN1CCNC(=O)N 269982a_100000210034_200000034859 [0,1,0,1,0,0|2,0,0]=4 21710 B14R1.96 CCC1CCCCN1CCOC(=O)C 269982a_100000210034_100009814007 [0,1,0,1,0,0|2,0,0]=4 21711 B14R1.96 CCC1CCCCN1CCOC(=O)C 34a_100000210034_100009814007 [0,1,0,1,0,0|2,0,0]=4 21712 B14R1.96 CCC1CCCCN1CCOC(=O)N 269982a_100000210034_200011214921 [0,1,0,1,0,0|2,0,0]=4 21713 B14R1.96 CCC1CCCCN1CCOC(=O)N 34a_100000210034_200011214921 [0,1,0,1,0,0|2,0,0]=4 21714 B14R1.96 CCN1CCCCC1CCNC(=O)C 2230a_200011221479_100000210202 [0,1,0,1,0,0|2,0,0]=4 21715 B14R1.96 CCN1CCCCC1CCNC(=O)C 269982a_200011221479_100000204670 [0,1,0,1,0,0|2,0,0]=4 21716 B14R1.96 CCN1CCCCC1CCNC(=O)C 34a_200011221479_100000210202 [0,1,0,1,0,0|2,0,0]=4 21717 B14R1.96 CCN1CCCCC1CNCC(=O)N 2230a_100000754393_100000747473 [0,1,0,1,0,0|2,0,0]=4 21718 B14R1.96 CCN1CCCCC1CNCC(=O)N 34a_100000754393_100000187820 [0,1,0,1,0,0|2,0,0]=4 21719 B14R1.96 CCN1CCCCC1CNCC(=O)[O-] 34a_100000754393_100020667443 [0,1,0,1,0,0|2,0,0]=4 21720 B14R1.96 CCN1CCCCC1COCC(=O)N 34a_100000225091_100000187820 [0,1,0,1,0,0|2,0,0]=4 21721 B14R1.96 CCN1CCCCC1COCC(=O)N 7a_100000225091_100000187820 [0,1,0,1,0,0|2,0,0]=4 21722 B14R1.96 CCN1CCCCC1COCC(=O)[O-] 34a_100000225091_100020667443 [0,1,0,1,0,0|2,0,0]=4 21723 B14R1.96 CC[C@H]1COCCN1CCCC(=O)C 269982a_100016988097_100011215641 [0,1,0,1,0,0|2,0,0]=4 21724 B14R1.96 CC[C@H]1COCCN1CCCC(=O)C 34a_100016988097_100000685027 [0,1,0,1,0,0|2,0,0]=4 21725 B14R1.96 CC[C@H]1COCCN1CCCC(=O)N 269982a_100016988097_100102525003 [0,1,0,1,0,0|2,0,0]=4 21726 B14R1.96 CC[C@H]1COCCN1CCCC(=O)N 34a_100016988097_100102525003 [0,1,0,1,0,0|2,0,0]=4 21727 B14R1.96 CN[C@@H]1CCCC[C@H]1OCCC(=O)N 34a_100000708425_100000731001 [0,1,0,1,0,0|2,0,0]=4 21728 B14R1.96 COC1CCCCC1NCCC(=O)N 34a_100011208099_100000731001 [0,1,0,1,0,0|2,0,0]=4 21729 B14R1.96 CO[C@H]1CCCC[C@@H]1OCCC(=O)C 7a_200009815850_100000053229 [0,1,0,1,0,0|2,0,0]=4 21730 B14R1.96 CO[C@H]1CCCC[C@@H]1OCCC(=O)N 34a_200009815850_100000731001 [0,1,0,1,0,0|2,0,0]=4 21731 B14R1.96 CO[C@H]1CCCC[C@@H]1OCCC(=O)N 7a_200009815850_100000744528 [0,1,0,1,0,0|2,0,0]=4 21732 B14R1.96 NC(=O)CCCN1CCCCC1CO 269982a_100000210821_100102525003 [0,1,0,1,0,0|2,0,0]=4 21733 B14R1.96 NC(=O)CCCN1CCCCC1CO 34a_100000210821_100102525003 [0,1,0,1,0,0|2,0,0]=4 21734 B14R1.96 NCC1CCCCC1OCCC(=O)N 34a_100011216029_100000731001 [0,1,0,1,0,0|2,0,0]=4 21735 B14R1.108 CC(=O)CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000735457 [0,1,0,1,0,0|2,0,0]=4 21736 B14R1.108 CC(=O)CCCCN1CCC[C@@H]1CO 34a_100000745186_100009817362 [0,1,0,1,0,0|2,0,0]=4 21737 B14R1.108 CCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000749056 [0,1,0,1,0,0|1,0,0]=3 21738 B14R1.108 CCC1CCCC1NCCCS(=O)C 270004a_200000753449_100000749056 [0,1,0,1,0,0|2,0,0]=4 21739 B14R1.108 CCC1CCCC1NCCNC(=O)C 269862a_100000209853_100000749056 [0,1,0,1,0,0|2,0,0]=4 21740 B14R1.108 CCC1CCCC1NCCNC(=O)N 269862a_100020590234_100000749056 [0,1,0,1,0,0|2,0,0]=4 21741 B14R1.108 CCC1CCCC1NCCSC(=O)C 269862a_100020647217_100000749056 [0,1,0,1,0,0|2,0,0]=4 21742 B14R1.108 CCC1CCCN1CCCCC(=O)C 269982a_100000754278_100000735457 [0,1,0,1,0,0|1,0,0]=3 21743 B14R1.108 CCC1CCCN1CCCCC(=O)C 34a_100000754278_100009817362 [0,1,0,1,0,0|1,0,0]=3 21744 B14R1.108 CCC1CCCN1CCCOC(=O)C 269982a_100000754278_100000042594 [0,1,0,1,0,0|2,0,0]=4 21745 B14R1.108 CCC1CCCN1CCCOC(=O)C 34a_100000754278_100000042594 [0,1,0,1,0,0|2,0,0]=4 21746 B14R1.108 CCC1CCCN1CCCSC(=O)C 2230a_100000754278_100000038929 [0,1,0,1,0,0|2,0,0]=4 21747 B14R1.108 CCC1CCCN1CCCSC(=O)C 269982a_100000754278_100000038929 [0,1,0,1,0,0|2,0,0]=4 21748 B14R1.108 CCC1CCCN1CCCSC(=O)C 34a_100000754278_100000038929 [0,1,0,1,0,0|2,0,0]=4 21749 B14R1.108 CCC1CCCN1CCOCC(=O)N 2230a_100000754278_100000076697 [0,1,0,1,0,0|2,0,0]=4 21750 B14R1.108 CCC1CCCN1CCOCC(=O)N 269982a_100000754278_100000076697 [0,1,0,1,0,0|2,0,0]=4 21751 B14R1.108 CCC1CCCN1CCOCC(=O)N 34a_100000754278_100000076697 [0,1,0,1,0,0|2,0,0]=4 21752 B14R1.108 CCN1CCCC1CNCCC(=O)N 2230a_100000211693_100000744528 [0,1,0,1,0,0|2,0,0]=4 21753 B14R1.108 CCN1CCC[C@@H]1COCCC(=O)C 7a_100011739246_100000053229 [0,1,0,1,0,0|2,0,0]=4 21754 B14R1.108 CCN1CCC[C@@H]1COCCC(=O)N 34a_100011739246_100000731001 [0,1,0,1,0,0|2,0,0]=4 21755 B14R1.108 CCN1CCC[C@@H]1COCCC(=O)N 7a_100011739246_100000744528 [0,1,0,1,0,0|2,0,0]=4 21756 B14R1.122 C=CCCCCCCN1CCC(C1)O 2230a_100011215560_100011215473 [0,1,0,1,0,0|2,0,0]=4 21757 B14R1.122 C=CCCCCCCN1CCC(C1)O 269982a_100011215560_100011215473 [0,1,0,1,0,0|2,0,0]=4 21758 B14R1.122 C=CCCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100011215473 [0,1,0,1,0,0|2,0,0]=4 21759 B14R1.122 C=CCCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100011215473 [0,1,0,1,0,0|2,0,0]=4 21760 B14R1.122 C=CCCCCCCN1CC[C@@H](C1)F 34a_100015203821_100011215473 [0,1,0,1,0,0|2,0,0]=4 21761 B14R1.122 C=CCCCCCCN1CC[C@H](C1)C 2230a_100016987628_100011215473 [0,1,0,1,0,0|2,0,0]=4 21762 B14R1.122 C=CCCCCCCN1CC[C@H](C1)C 269982a_100016987628_100011215473 [0,1,0,1,0,0|2,0,0]=4 21763 B14R1.122 C=CCCCCCCN1CC[C@H](C1)C 34a_100016987628_100011215473 [0,1,0,1,0,0|2,0,0]=4 21764 B14R1.122 C=CCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000700193 [0,1,0,1,0,0|2,0,0]=4 21765 B14R1.122 C=CCCCCCOC1CCC(C1)C 34a_100000698185_100000700193 [0,1,0,1,0,0|2,0,0]=4 21766 B14R1.122 CCCCCCCCN1CNC(=O)C1 2230a_200000708111_100000210759 [0,1,0,1,0,0|2,0,0]=4 21767 B14R1.122 CCCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210681 [0,1,0,1,0,0|2,0,0]=4 21768 B14R1.122 CCCCCCCOC1CCC(=O)C1 34a_100012614533_100000210614 [0,1,0,1,0,0|1,0,0]=3 21769 B14R1.122 CCCCCCCOC1CNC(=O)C1 34a_100000690082_100000210614 [0,1,0,1,0,0|2,0,0]=4 21770 B14R1.122 CCCCCCCOC1COC(=O)O1 34a_100000210272_100000032252 [0,1,0,1,0,0|2,0,0]=4 21771 B14R1.122 CCCCCCCSC1COC(=O)O1 62a_100000210614_100000032252 [0,1,0,1,0,0|2,0,0]=4 21772 B14R1.122 CCCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210314 [0,1,0,1,0,0|2,0,0]=4 21773 B14R1.122 CCCCCCNCC1CNC(=O)C1 34a_100016993742_100000210314 [0,1,0,1,0,0|2,0,0]=4 21774 B14R1.122 CCCCCCNCC1CNC(=O)O1 2230a_100000210581_100000181169 [0,1,0,1,0,0|2,0,0]=4 21775 B14R1.122 CCCCCCNC[C@@H]1CCC(=O)N1 2230a_100000210581_100015189358 [0,1,0,1,0,0|1,0,0]=3 21776 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210314 [0,1,0,1,0,0|1,0,0]=3 21777 B14R1.122 CCCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210314 [0,1,0,1,0,0|1,0,0]=3 21778 B14R1.122 CCCCCCNC[C@H]1COC(=O)N1 2230a_100000210581_100015307671 [0,1,0,1,0,0|2,0,0]=4 21779 B14R1.122 CCCCCCOCC1CCC(=O)N1 34a_100000737831_100000210314 [0,1,0,1,0,0|1,0,0]=3 21780 B14R1.122 CCCCCCOCC1CNC(=O)C1 34a_100016041077_100000210314 [0,1,0,1,0,0|2,0,0]=4 21781 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100000210259_100000181169 [0,1,0,1,0,0|2,0,0]=4 21782 B14R1.122 CCCCCCOCC1CNC(=O)O1 34a_100011315639_100000210314 [0,1,0,1,0,0|2,0,0]=4 21783 B14R1.122 CCCCCCOCC1CNC(=O)O1 7a_100000210259_100000181169 [0,1,0,1,0,0|2,0,0]=4 21784 B14R1.122 CCCCCCOCC1COC(=O)O1 34a_100000210259_100000073702 [0,1,0,1,0,0|2,0,0]=4 21785 B14R1.122 CCCCCCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000210314 [0,1,0,1,0,0|2,0,0]=4 21786 B14R1.122 CCCCCCOC[C@@H]1CCC(=O)N1 7a_100000210259_100015189358 [0,1,0,1,0,0|1,0,0]=3 21787 B14R1.122 CCCCCCOC[C@H]1COC(=O)N1 34a_100000210259_100015307671 [0,1,0,1,0,0|2,0,0]=4 21788 B14R1.122 CCCCCCOC[C@H]1COC(=O)N1 7a_100000210259_100015307671 [0,1,0,1,0,0|2,0,0]=4 21789 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000181169_100000210757 [0,1,0,1,0,0|2,0,0]=4 21790 B14R1.122 CCCCCCSCC1CNC(=O)O1 62a_100000210314_100000181169 [0,1,0,1,0,0|2,0,0]=4 21791 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000073702_100000210757 [0,1,0,1,0,0|2,0,0]=4 21792 B14R1.122 CCCCCCSCC1COC(=O)O1 62a_100000210314_100000073702 [0,1,0,1,0,0|2,0,0]=4 21793 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100000210314_100015189358 [0,1,0,1,0,0|1,0,0]=3 21794 B14R1.122 CCCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210757 [0,1,0,1,0,0|1,0,0]=3 21795 B14R1.122 CCCCCCSC[C@H]1COC(=O)N1 62a_100000210314_100015307671 [0,1,0,1,0,0|2,0,0]=4 21796 B14R1.122 CCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210757 [0,1,0,1,0,0|2,0,0]=4 21797 B14R1.122 CCCCOCCOC1CCC(=O)C1 34a_100012614533_100000743108 [0,1,0,1,0,0|2,0,0]=4 21798 B14R1.122 CCCCOCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011995733 [0,1,0,1,0,0|2,0,0]=4 21799 B14R1.122 CCCCOCNC[C@H]1CCC(=O)N1 34a_100015423886_100011995733 [0,1,0,1,0,0|2,0,0]=4 21800 B14R1.122 CCCCOCOCC1CCC(=O)N1 34a_100000737831_100011995733 [0,1,0,1,0,0|2,0,0]=4 21801 B14R1.122 CCCCOCSC[C@@H]1CCC(=O)N1 62a_100011995733_100015189358 [0,1,0,1,0,0|2,0,0]=4 21802 B14R1.122 CCCCOCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011995733 [0,1,0,1,0,0|2,0,0]=4 21803 B14R1.122 CCCOCCNC[C@@H]1CCC(=O)N1 2230a_100161115042_100015189358 [0,1,0,1,0,0|2,0,0]=4 21804 B14R1.122 CCCOCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011215938 [0,1,0,1,0,0|2,0,0]=4 21805 B14R1.122 CCCOCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011215938 [0,1,0,1,0,0|2,0,0]=4 21806 B14R1.122 CCCOCCOCC1CCC(=O)N1 34a_100000737831_100011215938 [0,1,0,1,0,0|2,0,0]=4 21807 B14R1.122 CCCOCCOC[C@@H]1CCC(=O)N1 7a_100000752267_100015189358 [0,1,0,1,0,0|2,0,0]=4 21808 B14R1.122 CCCOCCSC[C@@H]1CCC(=O)N1 62a_100011215938_100015189358 [0,1,0,1,0,0|2,0,0]=4 21809 B14R1.122 CCCOCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215938 [0,1,0,1,0,0|2,0,0]=4 21810 B14R1.122 CCCSCCNC[C@@H]1CCC(=O)N1 2230a_100020603323_100015189358 [0,1,0,1,0,0|2,0,0]=4 21811 B14R1.122 CCCSCCOC[C@@H]1CCC(=O)N1 7a_200000230433_100015189358 [0,1,0,1,0,0|2,0,0]=4 21812 B14R1.122 CCOCCCNC[C@@H]1CCC(=O)N1 2230a_100000210961_100015189358 [0,1,0,1,0,0|2,0,0]=4 21813 B14R1.122 CCOCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100012232248 [0,1,0,1,0,0|2,0,0]=4 21814 B14R1.122 CCOCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100012232248 [0,1,0,1,0,0|2,0,0]=4 21815 B14R1.122 CCOCCCOCC1CCC(=O)N1 34a_100000737831_100012232248 [0,1,0,1,0,0|2,0,0]=4 21816 B14R1.122 CCOCCCOC[C@@H]1CCC(=O)N1 7a_100000757476_100015189358 [0,1,0,1,0,0|2,0,0]=4 21817 B14R1.122 CCOCCCSC[C@@H]1CCC(=O)N1 62a_100012232248_100015189358 [0,1,0,1,0,0|2,0,0]=4 21818 B14R1.122 CCOCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100012232248 [0,1,0,1,0,0|2,0,0]=4 21819 B14R1.122 CCSCCCOC[C@@H]1CCC(=O)N1 7a_100011216438_100015189358 [0,1,0,1,0,0|2,0,0]=4 21820 B14R1.122 CN1CCC(C1)CSCCCCC=O 62a_100000139335_200000690779 [0,1,0,1,0,0|2,0,0]=4 21821 B14R1.122 CN1CCC(C1)CSCCCCC=O 62a_200000690779_100000139335 [0,1,0,1,0,0|2,0,0]=4 21822 B14R1.122 CN1CCC(C1)SCCCCCC=O 62a_100000139337_200012183744 [0,1,0,1,0,0|2,0,0]=4 21823 B14R1.122 COCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000730899 [0,1,0,1,0,0|2,0,0]=4 21824 B14R1.122 COCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000755781 [0,1,0,1,0,0|2,0,0]=4 21825 B14R1.122 COCCCCOCC1CCC(=O)N1 34a_100000737831_100000755781 [0,1,0,1,0,0|2,0,0]=4 21826 B14R1.122 COCCCCSC[C@@H]1CCC(=O)N1 62a_100000730899_100015189358 [0,1,0,1,0,0|2,0,0]=4 21827 B14R1.122 COCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000730899 [0,1,0,1,0,0|2,0,0]=4 21828 B14R1.122 CSCCCCOC[C@@H]1CCC(=O)N1 7a_100011217163_100015189358 [0,1,0,1,0,0|2,0,0]=4 21829 B14R1.122 O=C1CCC(C1)OCCCCCCF 34a_100012614533_100015922095 [0,1,0,1,0,0|2,0,0]=4 21830 B14R1.122 O=C1CCC(C1)OCCCCCCO 34a_100012614533_100000766143 [0,1,0,1,0,0|2,0,0]=4 21831 B14R1.122 O=C1CCC(N1)COCCCCCF 34a_100000737831_100000729378 [0,1,0,1,0,0|2,0,0]=4 21832 B14R1.122 O=C1CCC(N1)COCCCCCO 34a_100000737831_100000746330 [0,1,0,1,0,0|2,0,0]=4 21833 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCF 2230a_100015423886_100000729378 [0,1,0,1,0,0|2,0,0]=4 21834 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCF 34a_100015423886_100000729378 [0,1,0,1,0,0|2,0,0]=4 21835 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCO 2230a_100015423886_100000746330 [0,1,0,1,0,0|2,0,0]=4 21836 B14R1.122 O=C1CC[C@@H](N1)CNCCCCCO 34a_100015423886_100000746330 [0,1,0,1,0,0|2,0,0]=4 21837 B14R1.122 O=C1CC[C@H](N1)CNCCCCCO 2230a_100000762737_100015189358 [0,1,0,1,0,0|2,0,0]=4 21838 B14R1.122 O=C1CC[C@H](N1)COCCCCCBr 7a_100000746331_100015189358 [0,1,0,1,0,0|2,0,0]=4 21839 B14R1.122 O=C1CC[C@H](N1)COCCCCCCl 7a_100000746330_100015189358 [0,1,0,1,0,0|2,0,0]=4 21840 B14R1.122 O=C1CC[C@H](N1)COCCCCCI 7a_200012148887_100015189358 [0,1,0,1,0,0|2,0,0]=4 21841 B14R1.122 O=C1CC[C@H](N1)CSCCCCCF 62a_100000729378_100015189358 [0,1,0,1,0,0|2,0,0]=4 21842 B14R1.122 O=C1CC[C@H](N1)CSCCCCCF 62a_100015189358_100000729378 [0,1,0,1,0,0|2,0,0]=4 21843 B14R1.122 O=C1CC[C@H](N1)CSCCCCCO 62a_100000746330_100015189358 [0,1,0,1,0,0|2,0,0]=4 21844 B14R1.122 O=C1CC[C@H](N1)CSCCCCCO 62a_100015189358_100000746330 [0,1,0,1,0,0|2,0,0]=4 21845 B14R1.122 O=CCCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000139337 [0,1,0,1,0,0|1,0,0]=3 21846 B14R1.159 C=C(C)CCOCC1CCCCC1=O 34a_100009861125_100000730704 [0,1,0,1,0,0|1,0,1]=4 21847 B14R1.159 C=C(C)CCOCC1CCCCC1=O 7a_100009861125_100000730704 [0,1,0,1,0,0|1,0,1]=4 21848 B14R1.159 CC(=O)CCCCN1CCCCC1C 269982a_100000211376_100000735457 [0,1,0,1,0,0|1,0,0]=3 21849 B14R1.159 CC(=O)CCCCN1CCCCC1C 34a_100000211376_100009817362 [0,1,0,1,0,0|1,0,0]=3 21850 B14R1.159 CC(=O)CCCCN1CCOC[C@@H]1C 269982a_100009815349_100000735457 [0,1,0,1,0,0|2,0,0]=4 21851 B14R1.159 CC(=O)CCCCN1CCOC[C@@H]1C 34a_100009815349_100009817362 [0,1,0,1,0,0|2,0,0]=4 21852 B14R1.159 CC(=O)CCCNC1CCCCC1C 34a_100000211402_100000685027 [0,1,0,1,0,0|1,0,0]=3 21853 B14R1.159 CC(=O)CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000685027 [0,1,0,1,0,0|2,0,0]=4 21854 B14R1.159 CC(=O)CCCOC1CCCCC1=O 34a_100000759063_100000754470 [0,1,0,1,0,0|1,0,1]=4 21855 B14R1.159 CC(=O)CCCOC1CCCCC1=O 34a_100011214950_100000685027 [0,1,0,1,0,0|1,0,1]=4 21856 B14R1.159 CC(=O)CCCOC1CCCCC1=O 7a_100000759063_100000204591 [0,1,0,1,0,0|1,0,1]=4 21857 B14R1.159 CC(=O)CCCOC1CCCCC1C 34a_100000211207_100000685027 [0,1,0,1,0,0|1,0,0]=3 21858 B14R1.159 CC(=O)CCCOC1CCCCC1C 7a_100000211207_100011215641 [0,1,0,1,0,0|1,0,0]=3 21859 B14R1.159 CC(=O)CCCOC1CCCCC1Cl 34a_100000038908_100000685027 [0,1,0,1,0,0|2,0,0]=4 21860 B14R1.159 CC(=O)CCCOC1CCCCC1Cl 7a_100000038908_100011215641 [0,1,0,1,0,0|2,0,0]=4 21861 B14R1.159 CC(=O)CCCOC1CCCCC1F 34a_100000759063_100015423560 [0,1,0,1,0,0|2,0,0]=4 21862 B14R1.159 CC(=O)CCCOC1CCCCC1O 34a_100000759063_100000038908 [0,1,0,1,0,0|2,0,0]=4 21863 B14R1.159 CC(=O)CCCOC1CCNCC1C 34a_100011998114_100000685027 [0,1,0,1,0,0|2,0,0]=4 21864 B14R1.159 CC(=O)CCCOC1CNCCC1C 34a_100000696640_100000685027 [0,1,0,1,0,0|2,0,0]=4 21865 B14R1.159 CC(=O)CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000685027 [0,1,0,1,0,0|2,0,0]=4 21866 B14R1.159 CC(=O)CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011215641 [0,1,0,1,0,0|2,0,0]=4 21867 B14R1.159 CC(=O)CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000685027 [0,1,0,1,0,0|2,0,0]=4 21868 B14R1.159 CC(=O)CCCSC1CCCCC1=O 62a_100000204591_100011215641 [0,1,0,1,0,0|1,0,1]=4 21869 B14R1.159 CC(=O)CCCSC1CCCCC1=O 62a_100011215641_100000204591 [0,1,0,1,0,0|1,0,1]=4 21870 B14R1.159 CC(=O)CCCSC1CCCCC1F 62a_100011215641_100015423560 [0,1,0,1,0,0|2,0,0]=4 21871 B14R1.159 CC(=O)CCCSC1CCCCC1F 62a_100015423560_100011215641 [0,1,0,1,0,0|2,0,0]=4 21872 B14R1.159 CC(=O)CCCSC1CCCCC1O 62a_100000038908_100011215641 [0,1,0,1,0,0|2,0,0]=4 21873 B14R1.159 CC(=O)CCCSC1CCCCC1O 62a_100011215641_100000038908 [0,1,0,1,0,0|2,0,0]=4 21874 B14R1.159 CC(=O)CCOCC1CCCCC1=O 7a_100009861125_100000053229 [0,1,0,1,0,0|1,0,1]=4 21875 B14R1.159 CC(=O)CCOCC1CCCCN1C 34a_100000759926_100015186950 [0,1,0,1,0,0|2,0,0]=4 21876 B14R1.159 CC(=O)CCOCC1CCCCN1C 7a_100000759926_100015185383 [0,1,0,1,0,0|2,0,0]=4 21877 B14R1.159 CC(=O)CCSCC1CCCCN1C 62a_100000053229_100015185383 [0,1,0,1,0,0|2,0,0]=4 21878 B14R1.159 CC(=O)CCSCC1CCCCN1C 62a_100015185383_100000053229 [0,1,0,1,0,0|2,0,0]=4 21879 B14R1.159 CC(=O)COCCC1CCCCN1C 34a_100000211253_100000211948 [0,1,0,1,0,0|2,0,0]=4 21880 B14R1.159 CC(=O)NCCCN1CCCCC1C 240690a_100000212276_100015343762 [0,1,0,1,0,0|2,0,0]=4 21881 B14R1.159 CC(=O)NCCCN1CCCCC1C 527a_100000212276_100103153847 [0,1,0,1,0,0|2,0,0]=4 21882 B14R1.159 CC(=O)NCCNC1CCCCC1C 2230a_100000211402_100000189650 [0,1,0,1,0,0|2,0,0]=4 21883 B14R1.159 CC(=O)NCCNC1CCCCC1C 269862a_100000209853_100000210921 [0,1,0,1,0,0|2,0,0]=4 21884 B14R1.159 CC(=O)NCCOC1CCCCC1C 7a_100000211207_100000189650 [0,1,0,1,0,0|2,0,0]=4 21885 B14R1.159 CC(=O)OCCCN1CCCCC1C 269982a_100000211376_100000042594 [0,1,0,1,0,0|2,0,0]=4 21886 B14R1.159 CC(=O)OCCCN1CCCCC1C 34a_100000211376_100000042594 [0,1,0,1,0,0|2,0,0]=4 21887 B14R1.159 CC(=O)OCCNC1CCCCC1C 34a_100000211402_100009814007 [0,1,0,1,0,0|2,0,0]=4 21888 B14R1.159 CC(=O)OCCOC1CCCCC1C 34a_100000211207_100009814007 [0,1,0,1,0,0|2,0,0]=4 21889 B14R1.159 CC(=O)OCCOC1CCCCC1C 7a_100000211207_100009814007 [0,1,0,1,0,0|2,0,0]=4 21890 B14R1.159 CC(=O)SCCCN1CCCCC1C 2230a_100000211376_100000038929 [0,1,0,1,0,0|2,0,0]=4 21891 B14R1.159 CC(=O)SCCCN1CCCCC1C 269982a_100000211376_100000038929 [0,1,0,1,0,0|2,0,0]=4 21892 B14R1.159 CC(=O)SCCCN1CCCCC1C 34a_100000211376_100000038929 [0,1,0,1,0,0|2,0,0]=4 21893 B14R1.159 CC(=O)SCCNC1CCCCC1C 269862a_100020647217_100000210921 [0,1,0,1,0,0|2,0,0]=4 21894 B14R1.159 CC(C)CCCNC1CCCCC1=O 34a_200000737386_100000754470 [0,1,0,1,0,0|1,0,0]=3 21895 B14R1.159 CC(C)CCCNC1CCCNC1=O 2230a_100000747585_100011214892 [0,1,0,1,0,0|2,0,0]=4 21896 B14R1.159 CC(C)CCCNC1CCCNC1=O 2230a_200000737386_100000687798 [0,1,0,1,0,0|2,0,0]=4 21897 B14R1.159 CC(C)CCCNC1CCCNC1=O 34a_100000747585_100011214892 [0,1,0,1,0,0|2,0,0]=4 21898 B14R1.159 CC(C)CCCNC1CCCNC1=O 34a_200000737386_100000687798 [0,1,0,1,0,0|2,0,0]=4 21899 B14R1.159 CC(C)CCCNC1COCCC1=O 34a_200000737386_100012180262 [0,1,0,1,0,0|2,0,0]=4 21900 B14R1.159 CC(C)CCCOC1CCCCC1=O 34a_100000210774_100000754470 [0,1,0,1,0,0|1,0,0]=3 21901 B14R1.159 CC(C)CCCOC1CCCCC1=O 34a_100011214950_100011214892 [0,1,0,1,0,0|1,0,0]=3 21902 B14R1.159 CC(C)CCCOC1CCCCC1=O 7a_100000210774_100000204591 [0,1,0,1,0,0|1,0,0]=3 21903 B14R1.159 CC(C)CCCOC1CCCNC1=O 34a_100000073722_100011214892 [0,1,0,1,0,0|2,0,0]=4 21904 B14R1.159 CC(C)CCCOC1CCCNC1=O 34a_100000210774_100000687798 [0,1,0,1,0,0|2,0,0]=4 21905 B14R1.159 CC(C)CCCOC1CCCNC1=O 7a_100000210774_100000687798 [0,1,0,1,0,0|2,0,0]=4 21906 B14R1.159 CC(C)CCCOC1COCCC1=O 34a_100000210774_100012180262 [0,1,0,1,0,0|2,0,0]=4 21907 B14R1.159 CC(C)CCCOC1COCCC1=O 7a_100000210774_100012180262 [0,1,0,1,0,0|2,0,0]=4 21908 B14R1.159 CC(C)CCCSC1CCCCC1=O 62a_100000204591_100011214892 [0,1,0,1,0,0|1,0,0]=3 21909 B14R1.159 CC(C)CCCSC1CCCCC1=O 62a_100011214892_100000204591 [0,1,0,1,0,0|1,0,0]=3 21910 B14R1.159 CC(C)CCCSC1CCCNC1=O 62a_100000687798_100011214892 [0,1,0,1,0,0|2,0,0]=4 21911 B14R1.159 CC(C)CCCSC1CCCNC1=O 62a_100011214892_100000687798 [0,1,0,1,0,0|2,0,0]=4 21912 B14R1.159 CC(C)CCCSC1COCCC1=O 62a_100011214892_100012180262 [0,1,0,1,0,0|2,0,0]=4 21913 B14R1.159 CC(C)CCCSC1COCCC1=O 62a_100012180262_100011214892 [0,1,0,1,0,0|2,0,0]=4 21914 B14R1.159 CC(C)CCOCC1CCCCC1=O 34a_100009861125_100000210312 [0,1,0,1,0,0|1,0,0]=3 21915 B14R1.159 CC(C)CCOCC1CCCCC1=O 7a_100009861125_100000210626 [0,1,0,1,0,0|1,0,0]=3 21916 B14R1.159 CC(C)CNCCN1CCCCC1=O 2230a_100160573077_100000210760 [0,1,0,1,0,0|2,0,0]=4 21917 B14R1.159 CC(C)CNCCN1CCCCC1=O 270004a_100160573077_100000210432 [0,1,0,1,0,0|2,0,0]=4 21918 B14R1.159 CC(C)CNCCN1CCCCC1=O 34a_100160573077_100000210624 [0,1,0,1,0,0|2,0,0]=4 21919 B14R1.159 CC(C)NCCOC1CCCCC1=O 34a_100000224655_100000754470 [0,1,0,1,0,0|2,0,0]=4 21920 B14R1.159 CC(C)OCCNC1CCCCC1=O 34a_100000701111_100000754470 [0,1,0,1,0,0|2,0,0]=4 21921 B14R1.159 CC(C)OCCOC1CCCCC1=O 34a_100000211219_100000754470 [0,1,0,1,0,0|2,0,0]=4 21922 B14R1.159 CC(C)OCCOC1CCCCC1=O 34a_100011214950_100000211751 [0,1,0,1,0,0|2,0,0]=4 21923 B14R1.159 CC(C)OCCOC1CCCCC1=O 7a_100000211219_100000204591 [0,1,0,1,0,0|2,0,0]=4 21924 B14R1.159 CC(C)OCCSC1CCCCC1=O 62a_100000204591_100000211751 [0,1,0,1,0,0|2,0,0]=4 21925 B14R1.159 CC(C)OCCSC1CCCCC1=O 62a_100000211751_100000204591 [0,1,0,1,0,0|2,0,0]=4 21926 B14R1.159 CC(C)OCOCC1CCCCC1=O 34a_100009861125_100000709892 [0,1,0,1,0,0|2,0,0]=4 21927 B14R1.159 CC(C)SCCNC1CCCCC1=O 34a_100000731138_100000754470 [0,1,0,1,0,0|2,0,0]=4 21928 B14R1.159 CC(C)SCCOC1CCCCC1=O 34a_100011214950_100000730970 [0,1,0,1,0,0|2,0,0]=4 21929 B14R1.159 CC(C)SCCOC1CCCCC1=O 34a_200011212901_100000754470 [0,1,0,1,0,0|2,0,0]=4 21930 B14R1.159 CC(C)SCCOC1CCCCC1=O 7a_200011212901_100000204591 [0,1,0,1,0,0|2,0,0]=4 21931 B14R1.159 CC(C)SCCSC1CCCCC1=O 62a_100000204591_100000730970 [0,1,0,1,0,0|2,0,0]=4 21932 B14R1.159 CC(C)SCCSC1CCCCC1=O 62a_100000730970_100000204591 [0,1,0,1,0,0|2,0,0]=4 21933 B14R1.159 CC(O)CCCNC1CCCNC1=O 2230a_100000747585_200000718107 [0,1,0,1,0,0|2,0,0]=4 21934 B14R1.159 CC(O)CCCNC1CCCNC1=O 34a_100000747585_200000718107 [0,1,0,1,0,0|2,0,0]=4 21935 B14R1.159 CC(O)CCCOC1CCCCC1=O 34a_100011214950_200000718107 [0,1,0,1,0,0|1,0,0]=3 21936 B14R1.159 CC(O)CCCOC1CCCNC1=O 34a_100000073722_200000718107 [0,1,0,1,0,0|2,0,0]=4 21937 B14R1.159 CC(O)CCCSC1CCCCC1=O 62a_100000204591_200000718107 [0,1,0,1,0,0|1,0,0]=3 21938 B14R1.159 CC(O)CCCSC1CCCCC1=O 62a_200000718107_100000204591 [0,1,0,1,0,0|1,0,0]=3 21939 B14R1.159 CC(O)CCCSC1CCCNC1=O 62a_100000687798_200000718107 [0,1,0,1,0,0|2,0,0]=4 21940 B14R1.159 CC(O)CCCSC1CCCNC1=O 62a_200000718107_100000687798 [0,1,0,1,0,0|2,0,0]=4 21941 B14R1.159 CC(O)CCCSC1COCCC1=O 62a_100012180262_200000718107 [0,1,0,1,0,0|2,0,0]=4 21942 B14R1.159 CC(O)CCCSC1COCCC1=O 62a_200000718107_100012180262 [0,1,0,1,0,0|2,0,0]=4 21943 B14R1.159 CC(O)CCOCC1CCCCC1=O 34a_100009861125_100012276601 [0,1,0,1,0,0|1,0,0]=3 21944 B14R1.159 CC(O)CCOCC1CCCCC1=O 7a_100009861125_100012276601 [0,1,0,1,0,0|1,0,0]=3 21945 B14R1.159 CC(O)CNCCN1CCCCC1=O 2230a_100160573077_100011218427 [0,1,0,1,0,0|2,0,0]=4 21946 B14R1.159 CC(O)CNCCN1CCCCC1=O 34a_100160573077_100011218427 [0,1,0,1,0,0|2,0,0]=4 21947 B14R1.159 CC1CCCCC1NCCCC(=O)N 269862a_100000739312_100000210921 [0,1,0,1,0,0|1,0,0]=3 21948 B14R1.159 CC1CCCCC1NCCCC(=O)N 34a_100000211402_100102525003 [0,1,0,1,0,0|1,0,0]=3 21949 B14R1.159 CC1CCCCC1NCCCS(=O)C 270004a_200000753449_100000210921 [0,1,0,1,0,0|2,0,0]=4 21950 B14R1.159 CC1CCCCC1NCCNC(=O)N 2230a_100000211402_200000034859 [0,1,0,1,0,0|2,0,0]=4 21951 B14R1.159 CC1CCCCC1NCCNC(=O)N 269862a_100020590234_100000210921 [0,1,0,1,0,0|2,0,0]=4 21952 B14R1.159 CC1CCCCC1NCCOC(=O)N 34a_100000211402_200011214921 [0,1,0,1,0,0|2,0,0]=4 21953 B14R1.159 CC1CCCCC1OCCCC(=O)N 34a_100000211207_100102525003 [0,1,0,1,0,0|1,0,0]=3 21954 B14R1.159 CC1CCCCC1OCCCC(=O)N 7a_100000211207_100102525003 [0,1,0,1,0,0|1,0,0]=3 21955 B14R1.159 CC1CCCCC1OCCNC(=O)N 7a_100000211207_200000034859 [0,1,0,1,0,0|2,0,0]=4 21956 B14R1.159 CC1CCCCC1OCCOC(=O)N 34a_100000211207_200011214921 [0,1,0,1,0,0|2,0,0]=4 21957 B14R1.159 CC1CCCCC1OCCOC(=O)N 7a_100000211207_200011214921 [0,1,0,1,0,0|2,0,0]=4 21958 B14R1.159 CC1CCCCN1CCNCC(=O)N 2230a_100000739827_100000747473 [0,1,0,1,0,0|2,0,0]=4 21959 B14R1.159 CC1CCCCN1CCNCC(=O)N 34a_100000739827_100000187820 [0,1,0,1,0,0|2,0,0]=4 21960 B14R1.159 CC1CCCCN1CCNCC(=O)[O-] 34a_100000739827_100020667443 [0,1,0,1,0,0|2,0,0]=4 21961 B14R1.159 CC1CCCCN1CCOCC(=O)N 2230a_100000211376_100000076697 [0,1,0,1,0,0|2,0,0]=4 21962 B14R1.159 CC1CCCCN1CCOCC(=O)N 269982a_100000211376_100000076697 [0,1,0,1,0,0|2,0,0]=4 21963 B14R1.159 CC1CCCCN1CCOCC(=O)N 34a_100000211376_100000076697 [0,1,0,1,0,0|2,0,0]=4 21964 B14R1.159 CC1CCCCN1CCOCC(=O)N 34a_100011305533_100000187820 [0,1,0,1,0,0|2,0,0]=4 21965 B14R1.159 CC1CCCCN1CCOCC(=O)[O-] 34a_100011305533_100020667443 [0,1,0,1,0,0|2,0,0]=4 21966 B14R1.159 CC1CCNCC1OCCCC(=O)N 34a_100000696640_100102525003 [0,1,0,1,0,0|2,0,0]=4 21967 B14R1.159 CC1CNCCC1OCCCC(=O)N 34a_100011998114_100102525003 [0,1,0,1,0,0|2,0,0]=4 21968 B14R1.159 CN(C)CCCSC1CCCCC1=O 62a_100000204591_100000757444 [0,1,0,1,0,0|2,0,0]=4 21969 B14R1.159 CN(C)CCOCC1CCCCC1=O 7a_100009861125_100000755713 [0,1,0,1,0,0|2,0,0]=4 21970 B14R1.159 CN1CCCCC1CCNCC(=O)N 2230a_100000711301_100000211948 [0,1,0,1,0,0|2,0,0]=4 21971 B14R1.159 CN1CCCCC1CCNCC(=O)O 269956a_100016091260_100000211948 [0,1,0,1,0,0|2,0,0]=4 21972 B14R1.159 CN1CCCCC1CCSCC(=O)N 62a_100000211948_100000747473 [0,1,0,1,0,0|2,0,0]=4 21973 B14R1.159 CN1CCCCC1CCSCC(=O)N 62a_100000747473_100000211948 [0,1,0,1,0,0|2,0,0]=4 21974 B14R1.159 CN1CCCCC1CCSCC(=O)[O-] 62a_100000211948_100020667443 [0,1,0,1,0,0|2,0,0]=4 21975 B14R1.159 CN1CCCCC1CCSCC(=O)[O-] 62a_100020667443_100000211948 [0,1,0,1,0,0|2,0,0]=4 21976 B14R1.159 CN1CCCCC1CNCCC(=O)N 34a_100011228421_100000731001 [0,1,0,1,0,0|2,0,0]=4 21977 B14R1.159 CN1CCCCC1COCCC(=O)N 34a_100000225079_100000731001 [0,1,0,1,0,0|2,0,0]=4 21978 B14R1.159 CN1CCCCC1COCCC(=O)N 34a_100000757172_100015186950 [0,1,0,1,0,0|2,0,0]=4 21979 B14R1.159 CN1CCCCC1COCCC(=O)N 7a_100000757172_100015185383 [0,1,0,1,0,0|2,0,0]=4 21980 B14R1.159 CN1CCCCC1CSCCC(=O)N 62a_100000744528_100015185383 [0,1,0,1,0,0|2,0,0]=4 21981 B14R1.159 CN1CCCCC1CSCCC(=O)N 62a_100015185383_100000744528 [0,1,0,1,0,0|2,0,0]=4 21982 B14R1.159 C[C@@H](O)CNCCN1CCCCC1=O 2230a_100160573077_100009817552 [0,1,0,1,0,0|2,0,0]=4 21983 B14R1.159 C[C@@H](O)CNCCN1CCCCC1=O 34a_100160573077_100009817552 [0,1,0,1,0,0|2,0,0]=4 21984 B14R1.159 NC(=O)CCCNC1CCCCC1F 34a_100000739312_100015423560 [0,1,0,1,0,0|2,0,0]=4 21985 B14R1.159 NC(=O)CCCNC1CCCCC1O 34a_100000739312_100000038908 [0,1,0,1,0,0|2,0,0]=4 21986 B14R1.159 NC(=O)CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100102525003 [0,1,0,1,0,0|2,0,0]=4 21987 B14R1.159 NC(=O)CCCOC1CCCCC1Cl 34a_100000038908_100102525003 [0,1,0,1,0,0|2,0,0]=4 21988 B14R1.159 NC(=O)CCCOC1CCCCC1Cl 7a_100000038908_100102525003 [0,1,0,1,0,0|2,0,0]=4 21989 B14R1.159 NC(=O)CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100102525003 [0,1,0,1,0,0|2,0,0]=4 21990 B14R1.159 NC(=O)CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100102525003 [0,1,0,1,0,0|2,0,0]=4 21991 B14R1.159 NC(=O)CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100102525003 [0,1,0,1,0,0|2,0,0]=4 21992 B14R1.159 NC(=O)CCCSC1CCCCC1F 62a_100015423560_100102525003 [0,1,0,1,0,0|2,0,0]=4 21993 B14R1.159 NC(=O)CCCSC1CCCCC1F 62a_100102525003_100015423560 [0,1,0,1,0,0|2,0,0]=4 21994 B14R1.159 NC(=O)CCCSC1CCCCC1O 62a_100000038908_100102525003 [0,1,0,1,0,0|2,0,0]=4 21995 B14R1.159 NC(=O)CCCSC1CCCCC1O 62a_100102525003_100000038908 [0,1,0,1,0,0|2,0,0]=4 21996 B14R1.159 NC(=O)CCNCC1CCCCC1O 34a_100011216029_100000731001 [0,1,0,1,0,0|2,0,0]=4 21997 B14R1.168 CC(=O)CCCCOC1CCCC1=O 34a_200000719330_100009817362 [0,1,0,1,0,0|1,0,1]=4 21998 B14R1.168 CC(=O)CCCCOC1CCCC1C 34a_100011216460_100009817362 [0,1,0,1,0,0|1,0,0]=3 21999 B14R1.168 CC(=O)CCCCOC1CCCC1C 7a_100011216460_100000735457 [0,1,0,1,0,0|1,0,0]=3 22000 B14R1.168 CC(=O)CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009817362 [0,1,0,1,0,0|2,0,0]=4 22001 B14R1.168 CC(=O)CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009817362 [0,1,0,1,0,0|2,0,0]=4 22002 B14R1.168 CC(=O)CCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100009817362 [0,1,0,1,0,0|2,0,0]=4 22003 B14R1.168 CC(=O)CCCCSC1CCCC1=O 62a_100000211823_100000735457 [0,1,0,1,0,0|1,0,1]=4 22004 B14R1.168 CC(=O)CCCCSC1CCCC1=O 62a_100000735457_100000211823 [0,1,0,1,0,0|1,0,1]=4 22005 B14R1.168 CC(=O)CCCCS[C@@H]1CCC[C@H]1O 62a_100000735457_200016002552 [0,1,0,1,0,0|2,0,0]=4 22006 B14R1.168 CC(=O)CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000735457 [0,1,0,1,0,0|2,0,0]=4 22007 B14R1.168 CC(=O)CCCOCC1CCCN1C 34a_100000743107_100000685027 [0,1,0,1,0,0|2,0,0]=4 22008 B14R1.168 CC(=O)CCOCCC1CCCN1C 34a_100000759926_100000005710 [0,1,0,1,0,0|2,0,0]=4 22009 B14R1.168 CC(=O)CCOCCC1CCCN1C 7a_100000759926_100000005710 [0,1,0,1,0,0|2,0,0]=4 22010 B14R1.168 CC(=O)CCOCCC1CCCN1C 7a_100011215177_100000053229 [0,1,0,1,0,0|2,0,0]=4 22011 B14R1.168 CC(=O)CCSCCC1CCCN1C 62a_100000005710_100000053229 [0,1,0,1,0,0|2,0,0]=4 22012 B14R1.168 CC(=O)CCSCCC1CCCN1C 62a_100000053229_100000005710 [0,1,0,1,0,0|2,0,0]=4 22013 B14R1.168 CC(=O)NCCCNC1CCCC1C 269862a_100000736810_100000752053 [0,1,0,1,0,0|2,0,0]=4 22014 B14R1.168 CC(=O)OCCCCN1CCC[C@@H]1C 269982a_100020605311_100000033659 [0,1,0,1,0,0|2,0,0]=4 22015 B14R1.168 CC(=O)OCCCCN1CCC[C@H]1C 269982a_100015189458_100000033659 [0,1,0,1,0,0|2,0,0]=4 22016 B14R1.168 CC(=O)OCCCCN1CCC[C@H]1C 34a_100015189458_100000033659 [0,1,0,1,0,0|2,0,0]=4 22017 B14R1.168 CC(=O)OCCCOC1CCCC1C 34a_100011216460_100000042594 [0,1,0,1,0,0|2,0,0]=4 22018 B14R1.168 CC(=O)OCCCOC1CCCC1C 7a_100011216460_100000042594 [0,1,0,1,0,0|2,0,0]=4 22019 B14R1.168 CC(=O)SCCCCN1CCC[C@@H]1C 2230a_100020605311_200010402107 [0,1,0,1,0,0|2,0,0]=4 22020 B14R1.168 CC(=O)SCCCCN1CCC[C@@H]1C 269982a_100020605311_200010402107 [0,1,0,1,0,0|2,0,0]=4 22021 B14R1.168 CC(=O)SCCCCN1CCC[C@H]1C 2230a_100015189458_200010402107 [0,1,0,1,0,0|2,0,0]=4 22022 B14R1.168 CC(=O)SCCCCN1CCC[C@H]1C 269982a_100015189458_200010402107 [0,1,0,1,0,0|2,0,0]=4 22023 B14R1.168 CC(=O)SCCCCN1CCC[C@H]1C 34a_100015189458_200010402107 [0,1,0,1,0,0|2,0,0]=4 22024 B14R1.168 CC(=O)SCCCOC1CCCC1C 34a_100011216460_100000038929 [0,1,0,1,0,0|2,0,0]=4 22025 B14R1.168 CC(=O)SCCCOC1CCCC1C 7a_100011216460_100000038929 [0,1,0,1,0,0|2,0,0]=4 22026 B14R1.168 CC(Br)CCOCCN1CCCC1=O 34a_100009893172_100000739059 [0,1,0,1,0,0|2,0,0]=4 22027 B14R1.168 CC(C)CCCCNC1CCNC1=O 2230a_100016995588_100011216152 [0,1,0,1,0,0|2,0,0]=4 22028 B14R1.168 CC(C)CCCCNC1CCNC1=O 34a_100016995588_100011216152 [0,1,0,1,0,0|2,0,0]=4 22029 B14R1.168 CC(C)CCCCOC1CCCC1=O 34a_100011214890_100000709159 [0,1,0,1,0,0|1,0,0]=3 22030 B14R1.168 CC(C)CCCCOC1CCCC1=O 34a_200000719330_100011216152 [0,1,0,1,0,0|1,0,0]=3 22031 B14R1.168 CC(C)CCCCOC1CCCC1=O 7a_100011214890_100000211823 [0,1,0,1,0,0|1,0,0]=3 22032 B14R1.168 CC(C)CCCCOC1CCOC1=O 34a_100011214890_100000211211 [0,1,0,1,0,0|2,0,0]=4 22033 B14R1.168 CC(C)CCCCOC1CCOC1=O 7a_100011214890_100000211211 [0,1,0,1,0,0|2,0,0]=4 22034 B14R1.168 CC(C)CCCCO[C@H]1CCNC1=O 34a_100000688343_100011216152 [0,1,0,1,0,0|2,0,0]=4 22035 B14R1.168 CC(C)CCCCSC1CCCC1=O 62a_100000211823_100011216152 [0,1,0,1,0,0|1,0,0]=3 22036 B14R1.168 CC(C)CCCCSC1CCCC1=O 62a_100011216152_100000211823 [0,1,0,1,0,0|1,0,0]=3 22037 B14R1.168 CC(C)CCCCSC1CCOC1=O 62a_100000211211_100011216152 [0,1,0,1,0,0|2,0,0]=4 22038 B14R1.168 CC(C)CCCCSC1CCOC1=O 62a_100011216152_100000211211 [0,1,0,1,0,0|2,0,0]=4 22039 B14R1.168 CC(C)CCCOCC1CCNC1=O 34a_100000133458_100011214892 [0,1,0,1,0,0|2,0,0]=4 22040 B14R1.168 CC(C)CCCSCN1CCCC1=O 62a_100000026320_100011214892 [0,1,0,1,0,0|2,0,0]=4 22041 B14R1.168 CC(C)CCCSCN1CCCC1=O 62a_100011214892_100000026320 [0,1,0,1,0,0|2,0,0]=4 22042 B14R1.168 CC(C)CCNCCN1CCCC1=O 2230a_100011200922_100000210312 [0,1,0,1,0,0|2,0,0]=4 22043 B14R1.168 CC(C)CCNCCN1CCCC1=O 269862a_100011200922_100000185833 [0,1,0,1,0,0|2,0,0]=4 22044 B14R1.168 CC(C)CCOCCN1CCCC1=O 34a_100000210254_100000739059 [0,1,0,1,0,0|2,0,0]=4 22045 B14R1.168 CC(C)CCOCCN1CCCC1=O 34a_100000211209_100000210312 [0,1,0,1,0,0|2,0,0]=4 22046 B14R1.168 CC(C)CCOCCN1CCCC1=O 7a_100000210254_100000739059 [0,1,0,1,0,0|2,0,0]=4 22047 B14R1.168 CC(C)CCOCCN1CCCC1=O 7a_100000211209_100000210626 [0,1,0,1,0,0|2,0,0]=4 22048 B14R1.168 CC(C)CCSCCN1CCCC1=O 62a_100000210312_100000739059 [0,1,0,1,0,0|2,0,0]=4 22049 B14R1.168 CC(C)CCSCCN1CCCC1=O 62a_100000739059_100000210312 [0,1,0,1,0,0|2,0,0]=4 22050 B14R1.168 CC(C)CNCCCN1CCCC1=O 2230a_100000210347_100000210760 [0,1,0,1,0,0|2,0,0]=4 22051 B14R1.168 CC(C)CNCCCN1CCCC1=O 270004a_100000210347_100000210432 [0,1,0,1,0,0|2,0,0]=4 22052 B14R1.168 CC(C)CNCCCN1CCCC1=O 34a_100000210347_100000210624 [0,1,0,1,0,0|2,0,0]=4 22053 B14R1.168 CC(C)CNCCOC1CCCC1=O 34a_100015185251_100000709159 [0,1,0,1,0,0|2,0,0]=4 22054 B14R1.168 CC(C)COCCCN1CCCC1=O 34a_100011216539_100000210624 [0,1,0,1,0,0|2,0,0]=4 22055 B14R1.168 CC(C)COCCCN1CCCC1=O 7a_100011216539_100000210760 [0,1,0,1,0,0|2,0,0]=4 22056 B14R1.168 CC(C)COCCOC1CCCC1=O 34a_100000703358_100000709159 [0,1,0,1,0,0|2,0,0]=4 22057 B14R1.168 CC(C)COCCOC1CCCC1=O 7a_100000703358_100000211823 [0,1,0,1,0,0|2,0,0]=4 22058 B14R1.168 CC(C)CSCCOC1CCCC1=O 34a_200000230437_100000709159 [0,1,0,1,0,0|2,0,0]=4 22059 B14R1.168 CC(C)CSCCOC1CCCC1=O 7a_200000230437_100000211823 [0,1,0,1,0,0|2,0,0]=4 22060 B14R1.168 CC(C)NCCCOC1CCCC1=O 34a_100000182298_100000709159 [0,1,0,1,0,0|2,0,0]=4 22061 B14R1.168 CC(C)OCCCNC1CCCC1=O 2230a_100000737246_100000211823 [0,1,0,1,0,0|2,0,0]=4 22062 B14R1.168 CC(C)OCCCNC1CCCC1=O 34a_100000737246_100000709159 [0,1,0,1,0,0|2,0,0]=4 22063 B14R1.168 CC(O)CCCOCC1CCNC1=O 34a_100000133458_200000718107 [0,1,0,1,0,0|2,0,0]=4 22064 B14R1.168 CC(O)CCCSCN1CCCC1=O 62a_100000026320_200000718107 [0,1,0,1,0,0|2,0,0]=4 22065 B14R1.168 CC(O)CCCSCN1CCCC1=O 62a_200000718107_100000026320 [0,1,0,1,0,0|2,0,0]=4 22066 B14R1.168 CC(O)CCNCCN1CCCC1=O 2230a_100011200922_100012276601 [0,1,0,1,0,0|2,0,0]=4 22067 B14R1.168 CC(O)CCNCCN1CCCC1=O 2230a_200000755665_100000739059 [0,1,0,1,0,0|2,0,0]=4 22068 B14R1.168 CC(O)CCOCCN1CCCC1=O 34a_100000211209_100012276601 [0,1,0,1,0,0|2,0,0]=4 22069 B14R1.168 CC(O)CCOCCN1CCCC1=O 7a_100000211209_100012276601 [0,1,0,1,0,0|2,0,0]=4 22070 B14R1.168 CC(O)CCSCCN1CCCC1=O 62a_100000739059_100012276601 [0,1,0,1,0,0|2,0,0]=4 22071 B14R1.168 CC(O)CCSCCN1CCCC1=O 62a_100012276601_100000739059 [0,1,0,1,0,0|2,0,0]=4 22072 B14R1.168 CC(O)CNCCCN1CCCC1=O 2230a_100000210347_100011218427 [0,1,0,1,0,0|2,0,0]=4 22073 B14R1.168 CC(O)CNCCCN1CCCC1=O 34a_100000210347_100011218427 [0,1,0,1,0,0|2,0,0]=4 22074 B14R1.168 CC(O)COCCCN1CCCC1=O 34a_100011216539_100011218427 [0,1,0,1,0,0|2,0,0]=4 22075 B14R1.168 CC(O)COCCCN1CCCC1=O 7a_100011216539_100011218427 [0,1,0,1,0,0|2,0,0]=4 22076 B14R1.168 CC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000752053 [0,1,0,1,0,0|1,0,0]=3 22077 B14R1.168 CC1CCCC1OCCOCC(=O)N 34a_100011216460_100000076697 [0,1,0,1,0,0|2,0,0]=4 22078 B14R1.168 CC1CCCC1OCCOCC(=O)N 7a_100011216460_100000076697 [0,1,0,1,0,0|2,0,0]=4 22079 B14R1.168 CC1OCCC1NCCCCC(=O)N 270004a_100000696515_100000691750 [0,1,0,1,0,0|2,0,0]=4 22080 B14R1.168 CC1SCCN1CCCCCC(=O)N 2230a_200011216479_100009817443 [0,1,0,1,0,0|2,0,0]=4 22081 B14R1.168 CC1SCCN1CCCCCC(=O)N 269982a_200011216479_100009817443 [0,1,0,1,0,0|2,0,0]=4 22082 B14R1.168 CC1SCCN1CCCCCC(=O)N 34a_200011216479_100009817443 [0,1,0,1,0,0|2,0,0]=4 22083 B14R1.168 CN(C)CCCCSC1CCCC1=O 62a_100000211823_100000690147 [0,1,0,1,0,0|2,0,0]=4 22084 B14R1.168 CN1CCCC1CCOCCC(=O)N 34a_100000757172_100000005710 [0,1,0,1,0,0|2,0,0]=4 22085 B14R1.168 CN1CCCC1CCOCCC(=O)N 34a_100011215177_100000731001 [0,1,0,1,0,0|2,0,0]=4 22086 B14R1.168 CN1CCCC1CCOCCC(=O)N 7a_100000757172_100000005710 [0,1,0,1,0,0|2,0,0]=4 22087 B14R1.168 CN1CCCC1CCOCCC(=O)N 7a_100011215177_100000744528 [0,1,0,1,0,0|2,0,0]=4 22088 B14R1.168 CN1CCCC1CCSCCC(=O)N 62a_100000005710_100000744528 [0,1,0,1,0,0|2,0,0]=4 22089 B14R1.168 CN1CCCC1CCSCCC(=O)N 62a_100000744528_100000005710 [0,1,0,1,0,0|2,0,0]=4 22090 B14R1.168 CN1CCCC1COCCCC(=O)N 34a_100000743107_100102525003 [0,1,0,1,0,0|2,0,0]=4 22091 B14R1.168 C[C@@H](N)CCOCCN1CCCC1=O 34a_100000706166_100000739059 [0,1,0,1,0,0|2,0,0]=4 22092 B14R1.168 C[C@@H](O)CNCCCN1CCCC1=O 2230a_100000210347_100009817552 [0,1,0,1,0,0|2,0,0]=4 22093 B14R1.168 C[C@@H](O)CNCCCN1CCCC1=O 34a_100000210347_100009817552 [0,1,0,1,0,0|2,0,0]=4 22094 B14R1.168 C[C@@H](O)COCCCN1CCCC1=O 34a_100011216539_100009817552 [0,1,0,1,0,0|2,0,0]=4 22095 B14R1.168 C[C@@H](O)COCCCN1CCCC1=O 7a_100011216539_100009817552 [0,1,0,1,0,0|2,0,0]=4 22096 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 2230a_100015189458_100009817443 [0,1,0,1,0,0|1,0,0]=3 22097 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 269982a_100015189458_100009817443 [0,1,0,1,0,0|1,0,0]=3 22098 B14R1.168 C[C@@H]1CCCN1CCCCCC(=O)N 34a_100015189458_100009817443 [0,1,0,1,0,0|1,0,0]=3 22099 B14R1.168 C[C@H]1CCCN1CCCCCC(=O)N 2230a_100020605311_100009817443 [0,1,0,1,0,0|1,0,0]=3 22100 B14R1.168 C[C@H]1CCCN1CCCCCC(=O)N 269982a_100020605311_100009817443 [0,1,0,1,0,0|1,0,0]=3 22101 B14R1.221 BrCCCCCCCCCOC1CC1 34a_100009813782_100000211595 [0,1,0,1,0,0|1,0,1]=4 22102 B14R1.221 BrCCCCCCCCOCC1CC1 34a_100009813846_100000742324 [0,1,0,1,0,0|1,0,1]=4 22103 B14R1.221 BrCCCCCCCCOCC1CC1 7a_100009813846_100000742324 [0,1,0,1,0,0|1,0,1]=4 22104 B14R1.221 BrCCCCCCCOCCC1CC1 34a_100000760002_100000694398 [0,1,0,1,0,0|1,0,1]=4 22105 B14R1.221 BrCCCCCCCOCCC1CC1 7a_100000760002_100000764125 [0,1,0,1,0,0|1,0,1]=4 22106 B14R1.221 C#CCCCCCCCCOC1CC1 34a_100000065265_100000211595 [0,1,0,1,0,0|1,0,1]=4 22107 B14R1.221 C#CCCCCCCCNCC1CC1 2230a_100000735609_100153394163 [0,1,0,1,0,0|1,0,1]=4 22108 B14R1.221 C#CCCCCCCCNCC1CC1 34a_100000735609_100153394163 [0,1,0,1,0,0|1,0,1]=4 22109 B14R1.221 C#CCCCCCCCOCC1CC1 34a_100000054614_100000742324 [0,1,0,1,0,0|1,0,1]=4 22110 B14R1.221 C#CCCCCCCCOCC1CC1 34a_100000211283_100153394163 [0,1,0,1,0,0|1,0,1]=4 22111 B14R1.221 C#CCCCCCCCOCC1CC1 7a_100000054614_100000742324 [0,1,0,1,0,0|1,0,1]=4 22112 B14R1.221 C#CCCCCCCCSCC1CC1 62a_100000756562_100153394163 [0,1,0,1,0,0|1,0,1]=4 22113 B14R1.221 C#CCCCCCCCSCC1CC1 62a_100153394163_100000742324 [0,1,0,1,0,0|1,0,1]=4 22114 B14R1.221 C#CCCCCCCNCCC1CC1 34a_100000764129_100012276617 [0,1,0,1,0,0|1,0,1]=4 22115 B14R1.221 C#CCCCCCCOCCC1CC1 34a_100000754188_100012276617 [0,1,0,1,0,0|1,0,1]=4 22116 B14R1.221 C#CCCCCCCOCCC1CC1 34a_100011217361_100000694398 [0,1,0,1,0,0|1,0,1]=4 22117 B14R1.221 C#CCCCCCCOCCC1CC1 7a_100000754188_100012276617 [0,1,0,1,0,0|1,0,1]=4 22118 B14R1.221 C#CCCCCCCOCCC1CC1 7a_100011217361_100000764125 [0,1,0,1,0,0|1,0,1]=4 22119 B14R1.221 C#CCCCCCCSCCC1CC1 62a_100000764125_100012276617 [0,1,0,1,0,0|1,0,1]=4 22120 B14R1.221 C#CCCCCCCSCCC1CC1 62a_100012276617_100000764125 [0,1,0,1,0,0|1,0,1]=4 22121 B14R1.221 C=CCCCCCCCCNC1CC1 34a_100000212008_100011933949 [0,1,0,1,0,0|1,0,0]=3 22122 B14R1.221 C=CCCCCCCCCOC1CC1 34a_100011215194_100000211595 [0,1,0,1,0,0|1,0,0]=3 22123 B14R1.221 C=CCCCCCCCCSC1CC1 62a_100011933949_100000211595 [0,1,0,1,0,0|1,0,0]=3 22124 B14R1.221 C=CCCCCCCCNCC1CC1 2230a_100000735609_100012355270 [0,1,0,1,0,0|1,0,0]=3 22125 B14R1.221 C=CCCCCCCCNCC1CC1 34a_100000735609_100012355270 [0,1,0,1,0,0|1,0,0]=3 22126 B14R1.221 C=CCCCCCCCOCC1CC1 34a_100000211283_100012355270 [0,1,0,1,0,0|1,0,0]=3 22127 B14R1.221 C=CCCCCCCCOCC1CC1 34a_100000730831_100000742324 [0,1,0,1,0,0|1,0,0]=3 22128 B14R1.221 C=CCCCCCCCOCC1CC1 7a_100000730831_100000742324 [0,1,0,1,0,0|1,0,0]=3 22129 B14R1.221 C=CCCCCCCCOCC1CO1 34a_100000730831_102125554688 [0,1,0,1,0,0|2,0,0]=4 22130 B14R1.221 C=CCCCCCCCOCC1CO1 7a_100000730831_102125554688 [0,1,0,1,0,0|2,0,0]=4 22131 B14R1.221 C=CCCCCCCCOCC1CS1 7a_100000730831_100000031435 [0,1,0,1,0,0|2,0,0]=4 22132 B14R1.221 C=CCCCCCCCOC[C@@H]1CO1 34a_100000757423_100012355270 [0,1,0,1,0,0|2,0,0]=4 22133 B14R1.221 C=CCCCCCCCOC[C@@H]1CO1 7a_100000730831_100000745022 [0,1,0,1,0,0|2,0,0]=4 22134 B14R1.221 C=CCCCCCCCSCC1CC1 62a_100000756562_100012355270 [0,1,0,1,0,0|1,0,0]=3 22135 B14R1.221 C=CCCCCCCCSCC1CC1 62a_100012355270_100000742324 [0,1,0,1,0,0|1,0,0]=3 22136 B14R1.221 C=CCCCCCCCSCC1CO1 62a_100012355270_102125554688 [0,1,0,1,0,0|2,0,0]=4 22137 B14R1.221 C=CCCCCCCCSCC1CO1 62a_102125554688_100012355270 [0,1,0,1,0,0|2,0,0]=4 22138 B14R1.221 C=CCCCCCCCSCC1CS1 62a_100000031435_100012355270 [0,1,0,1,0,0|2,0,0]=4 22139 B14R1.221 C=CCCCCCCCSCC1CS1 62a_100012355270_100000031435 [0,1,0,1,0,0|2,0,0]=4 22140 B14R1.221 C=CCCCCCCCSC[C@@H]1CO1 62a_100000745022_100012355270 [0,1,0,1,0,0|2,0,0]=4 22141 B14R1.221 C=CCCCCCCCSC[C@@H]1CO1 62a_100012355270_100000745022 [0,1,0,1,0,0|2,0,0]=4 22142 B14R1.221 C=CCCCCCCNCCC1CC1 34a_100000764129_100011215473 [0,1,0,1,0,0|1,0,0]=3 22143 B14R1.221 C=CCCCCCCOCCC1CC1 34a_100000754188_100011215473 [0,1,0,1,0,0|1,0,0]=3 22144 B14R1.221 C=CCCCCCCOCCC1CC1 34a_200011216477_100000694398 [0,1,0,1,0,0|1,0,0]=3 22145 B14R1.221 C=CCCCCCCOCCC1CC1 7a_100000754188_100011215473 [0,1,0,1,0,0|1,0,0]=3 22146 B14R1.221 C=CCCCCCCOCCC1CC1 7a_200011216477_100000764125 [0,1,0,1,0,0|1,0,0]=3 22147 B14R1.221 C=CCCCCCCOCCC1CO1 34a_200011216477_100000732470 [0,1,0,1,0,0|2,0,0]=4 22148 B14R1.221 C=CCCCCCCOCCC1CO1 7a_200011216477_100000732470 [0,1,0,1,0,0|2,0,0]=4 22149 B14R1.221 C=CCCCCCCOCC[C@@H]1CO1 34a_100009820653_100011215473 [0,1,0,1,0,0|2,0,0]=4 22150 B14R1.221 C=CCCCCCCSCCC1CC1 62a_100000764125_100011215473 [0,1,0,1,0,0|1,0,0]=3 22151 B14R1.221 C=CCCCCCCSCCC1CC1 62a_100011215473_100000764125 [0,1,0,1,0,0|1,0,0]=3 22152 B14R1.221 C=CCCCCCCSCCC1CO1 62a_100000732470_100011215473 [0,1,0,1,0,0|2,0,0]=4 22153 B14R1.221 C=CCCCCCCSCCC1CO1 62a_100011215473_100000732470 [0,1,0,1,0,0|2,0,0]=4 22154 B14R1.221 C=CCCCCCOCCCC1CO1 34a_100011216702_100000733510 [0,1,0,1,0,0|2,0,0]=4 22155 B14R1.221 C=CCCCCCOCCCC1CO1 7a_100011216702_100000733510 [0,1,0,1,0,0|2,0,0]=4 22156 B14R1.221 C=CCCCCCOCCNC1CC1 34a_100000738766_100000700193 [0,1,0,1,0,0|2,0,0]=4 22157 B14R1.221 C=CCCCCCSCCCC1CO1 62a_100000700193_100000733510 [0,1,0,1,0,0|2,0,0]=4 22158 B14R1.221 C=CCCCCCSCCCC1CO1 62a_100000733510_100000700193 [0,1,0,1,0,0|2,0,0]=4 22159 B14R1.221 CCCCCCCCCCNC1CC1 34a_100000212008_100000210320 [0,1,0,1,0,0|1,0,1]=4 22160 B14R1.221 CCCCCCCCCCNC1CC1 34a_100000684558_100000211595 [0,1,0,1,0,0|1,0,1]=4 22161 B14R1.221 CCCCCCCCCCOC1CC1 34a_100000210711_100000211595 [0,1,0,1,0,0|1,0,1]=4 22162 B14R1.221 CCCCCCCCCNCC1CC1 2230a_100000212291_100000742324 [0,1,0,1,0,0|1,0,1]=4 22163 B14R1.221 CCCCCCCCCNCC1CC1 2230a_100000735609_100011214924 [0,1,0,1,0,0|1,0,1]=4 22164 B14R1.221 CCCCCCCCCNCC1CC1 269862a_100000212291_100000741477 [0,1,0,1,0,0|1,0,1]=4 22165 B14R1.221 CCCCCCCCCNCC1CC1 34a_100000212291_100000742324 [0,1,0,1,0,0|1,0,1]=4 22166 B14R1.221 CCCCCCCCCNCC1CC1 34a_100000735609_100011214924 [0,1,0,1,0,0|1,0,1]=4 22167 B14R1.221 CCCCCCCCCNCC1CO1 2230a_100000212291_100011216344 [0,1,0,1,0,0|0,0,2]=4 22168 B14R1.221 CCCCCCCCCNCC1CO1 34a_100000212291_102125554688 [0,1,0,1,0,0|0,0,2]=4 22169 B14R1.221 CCCCCCCCCOCC1CC1 34a_100000210712_100000742324 [0,1,0,1,0,0|1,0,1]=4 22170 B14R1.221 CCCCCCCCCOCC1CC1 34a_100000211283_100011214924 [0,1,0,1,0,0|1,0,1]=4 22171 B14R1.221 CCCCCCCCCOCC1CC1 7a_100000210712_100000742324 [0,1,0,1,0,0|1,0,1]=4 22172 B14R1.221 CCCCCCCCCOCC1CO1 34a_100000210712_102125554688 [0,1,0,1,0,0|0,0,2]=4 22173 B14R1.221 CCCCCCCCCOCC1CO1 7a_100000210712_102125554688 [0,1,0,1,0,0|0,0,2]=4 22174 B14R1.221 CCCCCCCCCOCC1CS1 7a_100000210712_100000031435 [0,1,0,1,0,0|0,1,1]=4 22175 B14R1.221 CCCCCCCCCOC[C@@H]1CO1 34a_100000757423_100011214924 [0,1,0,1,0,0|0,0,2]=4 22176 B14R1.221 CCCCCCCCCOC[C@@H]1CO1 7a_100000210712_100000745022 [0,1,0,1,0,0|0,0,2]=4 22177 B14R1.221 CCCCCCCCCSCC1CC1 62a_100000756562_100000210670 [0,1,0,1,0,0|1,0,1]=4 22178 B14R1.221 CCCCCCCCCSCC1CO1 62a_102125554688_100000210670 [0,1,0,1,0,0|0,0,2]=4 22179 B14R1.221 CCCCCCCCCSCC1CS1 62a_100000031435_100000210670 [0,1,0,1,0,0|0,1,1]=4 22180 B14R1.221 CCCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000210670 [0,1,0,1,0,0|0,0,2]=4 22181 B14R1.221 CCCCCCCCNCCC1CC1 2230a_100000229939_100000694398 [0,1,0,1,0,0|1,0,1]=4 22182 B14R1.221 CCCCCCCCNCCC1CC1 34a_100000229939_100000694398 [0,1,0,1,0,0|1,0,1]=4 22183 B14R1.221 CCCCCCCCNCCC1CC1 34a_100000764129_100000210759 [0,1,0,1,0,0|1,0,1]=4 22184 B14R1.221 CCCCCCCCNCCC1CO1 2230a_100000229939_100000732470 [0,1,0,1,0,0|0,0,2]=4 22185 B14R1.221 CCCCCCCCNCCC1CO1 34a_100000229939_100000732470 [0,1,0,1,0,0|0,0,2]=4 22186 B14R1.221 CCCCCCCCOCCC1CC1 34a_100000210232_100000694398 [0,1,0,1,0,0|1,0,1]=4 22187 B14R1.221 CCCCCCCCOCCC1CC1 34a_100000754188_100000210759 [0,1,0,1,0,0|1,0,1]=4 22188 B14R1.221 CCCCCCCCOCCC1CC1 7a_100000210232_100000764125 [0,1,0,1,0,0|1,0,1]=4 22189 B14R1.221 CCCCCCCCOCCC1CC1 7a_100000754188_100000210759 [0,1,0,1,0,0|1,0,1]=4 22190 B14R1.221 CCCCCCCCOCCC1CO1 34a_100000210232_100000732470 [0,1,0,1,0,0|0,0,2]=4 22191 B14R1.221 CCCCCCCCOCCC1CO1 7a_100000210232_100000732470 [0,1,0,1,0,0|0,0,2]=4 22192 B14R1.221 CCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210759 [0,1,0,1,0,0|0,0,2]=4 22193 B14R1.221 CCCCCCCCSCCC1CC1 62a_100000210759_100000764125 [0,1,0,1,0,0|1,0,1]=4 22194 B14R1.221 CCCCCCCCSCCC1CC1 62a_100000764125_100000210317 [0,1,0,1,0,0|1,0,1]=4 22195 B14R1.221 CCCCCCCCSCCC1CO1 62a_100000210759_100000732470 [0,1,0,1,0,0|0,0,2]=4 22196 B14R1.221 CCCCCCCCSCCC1CO1 62a_100000732470_100000210317 [0,1,0,1,0,0|0,0,2]=4 22197 B14R1.221 CCCCCCCNCCCC1CO1 2230a_100000229938_100000733510 [0,1,0,1,0,0|0,0,2]=4 22198 B14R1.221 CCCCCCCOCCCC1CO1 34a_100000210272_100000733510 [0,1,0,1,0,0|0,0,2]=4 22199 B14R1.221 CCCCCCCOCCCC1CO1 7a_100000210272_100000733510 [0,1,0,1,0,0|0,0,2]=4 22200 B14R1.221 CCCCCCCSCCCC1CO1 62a_100000210614_100000733510 [0,1,0,1,0,0|0,0,2]=4 22201 B14R1.221 CCCCCCCSCCCC1CO1 62a_100000733510_100000210316 [0,1,0,1,0,0|0,0,2]=4 22202 B14R1.221 COCCCCCCNCCC1CC1 34a_100000764129_100011998445 [0,1,0,1,0,0|2,0,0]=4 22203 B14R1.221 COCCCCCCOCCC1CC1 34a_100000754188_100011998445 [0,1,0,1,0,0|2,0,0]=4 22204 B14R1.221 COCCCCCCOCCC1CC1 34a_200012092642_100000694398 [0,1,0,1,0,0|2,0,0]=4 22205 B14R1.221 COCCCCCCOCCC1CC1 7a_100000754188_100011998445 [0,1,0,1,0,0|2,0,0]=4 22206 B14R1.221 COCCCCCCOCCC1CC1 7a_200012092642_100000764125 [0,1,0,1,0,0|2,0,0]=4 22207 B14R1.221 COCCCCCCSCCC1CC1 62a_100000764125_100011998445 [0,1,0,1,0,0|2,0,0]=4 22208 B14R1.221 COCCCCCCSCCC1CC1 62a_100011998445_100000764125 [0,1,0,1,0,0|2,0,0]=4 22209 B14R1.221 ClCCCCCCCCCOC1CC1 34a_100009868337_100000211595 [0,1,0,1,0,0|1,0,1]=4 22210 B14R1.221 ClCCCCCCCCOCC1CC1 34a_100000033203_100000742324 [0,1,0,1,0,0|1,0,1]=4 22211 B14R1.221 ClCCCCCCCCOCC1CC1 7a_100000033203_100000742324 [0,1,0,1,0,0|1,0,1]=4 22212 B14R1.221 N#CCCCCCCOCCC1CC1 7a_100000754188_100009813337 [0,1,0,1,0,0|1,0,1]=4 22213 B14R1.221 N#CCCCCCCSCCC1CC1 62a_100000764125_100009813337 [0,1,0,1,0,0|1,0,1]=4 22214 B14R1.221 N#CCCCCCCSCCC1CC1 62a_100009813337_100000764125 [0,1,0,1,0,0|1,0,1]=4 22215 B14R1.221 NCCCCCCCCCOC1CC1 34a_100000078944_100000211595 [0,1,0,1,0,0|1,0,1]=4 22216 B14R1.221 NCCCCCCCCOCC1CC1 34a_102515433106_100000742324 [0,1,0,1,0,0|1,0,1]=4 22217 B14R1.221 NCCCCCCCOCCC1CC1 34a_100011996573_100000694398 [0,1,0,1,0,0|1,0,1]=4 22218 B14R1.221 O=CCCCCCOCC#CC1CC1 7a_100000083941_100000139337 [0,1,0,1,0,0|0,0,2]=4 22219 B14R1.221 O=CCCCCCSCC#CC1CC1 62a_100000139337_100009895102 [0,1,0,1,0,0|0,0,2]=4 22220 B14R1.221 O=CCCCCCSCC#CC1CC1 62a_100009895102_100000139337 [0,1,0,1,0,0|0,0,2]=4 22221 B14R1.221 O=CCCCCCSCCCC1CO1 62a_100000139337_100000733510 [0,1,0,1,0,0|1,0,0]=3 22222 B14R1.221 O=CCCCCCSCCCC1CO1 62a_100000733510_100000139337 [0,1,0,1,0,0|1,0,0]=3 22223 B14R1.221 OCCCCCCCCCNC1CC1 34a_100000078944_100000211595 [0,1,0,1,0,0|0,0,2]=4 22224 B14R1.221 OCCCCCCCCCNC1CC1 34a_100000212008_100009813782 [0,1,0,1,0,0|0,0,2]=4 22225 B14R1.221 OCCCCCCCCCSC1CC1 62a_100009813782_100000211595 [0,1,0,1,0,0|0,0,2]=4 22226 B14R1.221 OCCCCCCCCNCC1CC1 2230a_100000735609_100000033203 [0,1,0,1,0,0|0,0,2]=4 22227 B14R1.221 OCCCCCCCCNCC1CC1 2230a_102515433106_100000742324 [0,1,0,1,0,0|0,0,2]=4 22228 B14R1.221 OCCCCCCCCNCC1CC1 269862a_102515433106_100000741477 [0,1,0,1,0,0|0,0,2]=4 22229 B14R1.221 OCCCCCCCCNCC1CC1 34a_100000735609_100000033203 [0,1,0,1,0,0|0,0,2]=4 22230 B14R1.221 OCCCCCCCCNCC1CC1 34a_102515433106_100000742324 [0,1,0,1,0,0|0,0,2]=4 22231 B14R1.221 OCCCCCCCCOCC1CC1 34a_100000211283_100000033203 [0,1,0,1,0,0|0,0,2]=4 22232 B14R1.221 OCCCCCCCCSCC1CC1 62a_100000033203_100000742324 [0,1,0,1,0,0|0,0,2]=4 22233 B14R1.221 OCCCCCCCCSCC1CC1 62a_100000756562_100000033203 [0,1,0,1,0,0|0,0,2]=4 22234 B14R1.221 OCCCCCCCNCCC1CC1 2230a_100011996573_100000694398 [0,1,0,1,0,0|0,0,2]=4 22235 B14R1.221 OCCCCCCCNCCC1CC1 34a_100000764129_100000760002 [0,1,0,1,0,0|0,0,2]=4 22236 B14R1.221 OCCCCCCCNCCC1CC1 34a_100011996573_100000694398 [0,1,0,1,0,0|0,0,2]=4 22237 B14R1.221 OCCCCCCCOCCC1CC1 34a_100000754188_100000760002 [0,1,0,1,0,0|0,0,2]=4 22238 B14R1.221 OCCCCCCCOCCC1CC1 7a_100000754188_100000760002 [0,1,0,1,0,0|0,0,2]=4 22239 B14R1.221 OCCCCCCCSCCC1CC1 62a_100000760002_100000764125 [0,1,0,1,0,0|0,0,2]=4 22240 B14R1.221 OCCCCCCCSCCC1CC1 62a_100000764125_100000760002 [0,1,0,1,0,0|0,0,2]=4 22241 B14R1.231 C=CCCCNC1CCCCC1(C)C 269862a_100000700776_100000031690 [0,1,0,1,0,0|2,0,0]=4 22242 B14R1.231 CC1(COCCN1CCCCC=O)C 2230a_100000724681_100000139335 [0,1,0,1,0,0|2,0,0]=4 22243 B14R1.231 CC1(COCCN1CCCCC=O)C 269982a_100000724681_100000139335 [0,1,0,1,0,0|2,0,0]=4 22244 B14R1.231 O=CCCCNC1CCCCC1(F)F 2230a_100000686509_200011292268 [0,1,0,1,0,0|2,0,0]=4 22245 B14R1.231 O=CCCCSC1CCCCC1(F)F 62a_200009832135_200011292268 [0,1,0,1,0,0|2,0,0]=4 22246 B14R1.231 O=CCCCSC1CCCCC1(F)F 62a_200011292268_200009832135 [0,1,0,1,0,0|2,0,0]=4 22247 B14R1.233 C=CCCCCN1CCCC1C(C)C 2230a_100000762757_100011215482 [0,1,0,1,0,0|2,0,0]=4 22248 B14R1.233 C=CCCCCN1CCCC1C(C)C 269982a_100000762757_100011215482 [0,1,0,1,0,0|2,0,0]=4 22249 B14R1.233 C=CCCCCN1CCCC1C(C)C 34a_100000762757_100011215482 [0,1,0,1,0,0|2,0,0]=4 22250 B14R1.233 CC(C)C1CCCN1CCCCC=O 2230a_100000762757_100000139335 [0,1,0,1,0,0|1,0,0]=3 22251 B14R1.233 CC(C)C1CCCN1CCCCC=O 269982a_100000762757_100000139335 [0,1,0,1,0,0|1,0,0]=3 22252 B14R1.233 CCCCCCC1CCCC1N(C)C 270004a_100102631434_100000189428 [0,1,0,1,0,0|2,0,0]=4 22253 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210314 [0,1,0,1,0,0|1,0,0]=3 22254 B14R1.233 CCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210757 [0,1,0,1,0,0|1,0,0]=3 22255 B14R1.233 CCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210757 [0,1,0,1,0,0|2,0,0]=4 22256 B14R1.233 CCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210757 [0,1,0,1,0,0|2,0,0]=4 22257 B14R1.233 CCCCOCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011995733 [0,1,0,1,0,0|2,0,0]=4 22258 B14R1.233 CCCCOCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011995733 [0,1,0,1,0,0|2,0,0]=4 22259 B14R1.233 CCCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000210210 [0,1,0,1,0,0|2,0,0]=4 22260 B14R1.233 CCCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210211 [0,1,0,1,0,0|2,0,0]=4 22261 B14R1.233 CCCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210210 [0,1,0,1,0,0|2,0,0]=4 22262 B14R1.233 CCCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210211 [0,1,0,1,0,0|2,0,0]=4 22263 B14R1.233 CCCOCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011215938 [0,1,0,1,0,0|2,0,0]=4 22264 B14R1.233 CCCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215938 [0,1,0,1,0,0|2,0,0]=4 22265 B14R1.233 CCOCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100012232248 [0,1,0,1,0,0|2,0,0]=4 22266 B14R1.233 CCOCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012232248 [0,1,0,1,0,0|2,0,0]=4 22267 B14R1.233 COCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000730899 [0,1,0,1,0,0|2,0,0]=4 22268 B14R1.233 COCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000730899 [0,1,0,1,0,0|2,0,0]=4 22269 B14R1.233 NC(=O)[C@@H]1CCCN1CCCCCF 2230a_100000003125_100000729378 [0,1,0,1,0,0|2,0,0]=4 22270 B14R1.233 NC(=O)[C@@H]1CCCN1CCCCCO 2230a_100000003125_100000746330 [0,1,0,1,0,0|2,0,0]=4 22271 B14R1.233 O=C(O)[C@@H]1CCCN1CCCCCF 269956a_100000743916_100000729378 [0,1,0,1,0,0|2,0,0]=4 22272 B14R1.233 O=C(O)[C@@H]1CCCN1CCCCCO 269956a_100000743916_100000746330 [0,1,0,1,0,0|2,0,0]=4 22273 B14R1.241 CC(=O)OCCCCOCC1CC1C 34a_100000744939_100000033659 [0,1,0,1,0,0|2,0,0]=4 22274 B14R1.241 CC(=O)OCCCCOCC1CC1C 7a_100000744939_100000033659 [0,1,0,1,0,0|2,0,0]=4 22275 B14R1.241 CC(=O)SCCCCOCC1CC1C 34a_100000744939_200010402107 [0,1,0,1,0,0|2,0,0]=4 22276 B14R1.241 CC(=O)SCCCCOCC1CC1C 7a_100000744939_200010402107 [0,1,0,1,0,0|2,0,0]=4 22277 B14R1.241 CC1CC1COCCCCCC(=O)N 34a_100000744939_100009817443 [0,1,0,1,0,0|1,0,0]=3 22278 B14R1.241 CC1CC1COCCCCCC(=O)N 7a_100000744939_100009817443 [0,1,0,1,0,0|1,0,0]=3 22279 B14R1.258 COCC1CCN1CCCCC(=O)C 269982a_100015195929_100000735457 [0,1,0,1,0,0|2,0,0]=4 22280 B14R1.258 COCC1CCN1CCCCC(=O)C 34a_100015195929_100009817362 [0,1,0,1,0,0|2,0,0]=4 22281 B14R1.269 C=CCN1CCCCCC1CC(C)C 2230a_100000759364_100000210623 [0,1,0,1,0,0|2,0,0]=4 22282 B14R1.269 C=CCN1CCCCCC1CC(C)C 269982a_100000759364_100000210623 [0,1,0,1,0,0|2,0,0]=4 22283 B14R1.269 C=CCN1CCCCCC1CC(C)C 34a_100000759364_100015514636 [0,1,0,1,0,0|2,0,0]=4 22284 B14R1.269 CC(C)CC1CCCCCN1CC=O 2230a_100000759364_200015260668 [0,1,0,1,0,0|1,0,0]=3 22285 B14R1.269 CC(C)CC1CCCCCN1CC=O 269982a_100000759364_200015260668 [0,1,0,1,0,0|1,0,0]=3 22286 B14R1.269 CC(C)CC1CCCCCN1CC=O 34a_100000759364_200009817547 [0,1,0,1,0,0|1,0,0]=3 22287 B14R1.325 CC(=O)CCCOCCC1CCC1=O 7a_100000759063_200016118888 [0,1,0,1,0,0|1,0,1]=4 22288 B14R1.325 CC(=O)CCCSCCC1CCC1=O 62a_100011215641_200016118888 [0,1,0,1,0,0|1,0,1]=4 22289 B14R1.325 CC(=O)CCCSCCC1CCC1=O 62a_200016118888_100011215641 [0,1,0,1,0,0|1,0,1]=4 22290 B14R1.325 CC(=O)OCCCCCN1CCC1C 269982a_100000755817_100000033007 [0,1,0,1,0,0|2,0,0]=4 22291 B14R1.325 CC(=O)OCCCCCN1CCC1C 34a_100000755817_100000033007 [0,1,0,1,0,0|2,0,0]=4 22292 B14R1.325 CC(C)CCCCCNC1CCC1=O 34a_100011290863_100009892977 [0,1,0,1,0,0|1,0,0]=3 22293 B14R1.325 CC(C)CCCCCOC1CCC1=O 34a_100011995859_100009892977 [0,1,0,1,0,0|1,0,0]=3 22294 B14R1.325 CC(C)CCCCCOC1CCC1=O 7a_100011995859_100009892977 [0,1,0,1,0,0|1,0,0]=3 22295 B14R1.325 CC(C)CCCCCSC1CCC1=O 62a_100000210682_100009892977 [0,1,0,1,0,0|1,0,0]=3 22296 B14R1.325 CC(C)CCCCCSC1CCC1=O 62a_100009892977_100000210682 [0,1,0,1,0,0|1,0,0]=3 22297 B14R1.325 CC(C)CCCNCCC1CCC1=O 2230a_200000737386_200016118888 [0,1,0,1,0,0|1,0,0]=3 22298 B14R1.325 CC(C)CCCOCCC1CCC1=O 7a_100000210774_200016118888 [0,1,0,1,0,0|1,0,0]=3 22299 B14R1.325 CC(C)CCCSCCC1CCC1=O 62a_100011214892_200016118888 [0,1,0,1,0,0|1,0,0]=3 22300 B14R1.325 CC(C)CCCSCCC1CCC1=O 62a_200016118888_100011214892 [0,1,0,1,0,0|1,0,0]=3 22301 B14R1.325 CC(C)COCCCNC1CCC1=O 34a_100000205972_100009892977 [0,1,0,1,0,0|2,0,0]=4 22302 B14R1.325 CC(C)NCCCCOC1CCC1=O 34a_100011521146_100009892977 [0,1,0,1,0,0|2,0,0]=4 22303 B14R1.325 CC(C)OCCNCCC1CCC1=O 2230a_100000701111_200016118888 [0,1,0,1,0,0|2,0,0]=4 22304 B14R1.325 CC(C)OCCOCCC1CCC1=O 7a_100000211219_200016118888 [0,1,0,1,0,0|2,0,0]=4 22305 B14R1.325 CC(C)OCCSCCC1CCC1=O 62a_100000211751_200016118888 [0,1,0,1,0,0|2,0,0]=4 22306 B14R1.325 CC(C)OCCSCCC1CCC1=O 62a_200016118888_100000211751 [0,1,0,1,0,0|2,0,0]=4 22307 B14R1.325 CC(C)SCCNCCC1CCC1=O 2230a_100000731138_200016118888 [0,1,0,1,0,0|2,0,0]=4 22308 B14R1.325 CC(C)SCCOCCC1CCC1=O 7a_200011212901_200016118888 [0,1,0,1,0,0|2,0,0]=4 22309 B14R1.325 CC(C)SCCSCCC1CCC1=O 62a_100000730970_200016118888 [0,1,0,1,0,0|2,0,0]=4 22310 B14R1.325 CC(C)SCCSCCC1CCC1=O 62a_200016118888_100000730970 [0,1,0,1,0,0|2,0,0]=4 22311 B14R1.325 CC(O)CCCSCCC1CCC1=O 62a_200000718107_200016118888 [0,1,0,1,0,0|1,0,0]=3 22312 B14R1.325 CC(O)CCCSCCC1CCC1=O 62a_200016118888_200000718107 [0,1,0,1,0,0|1,0,0]=3 22313 B14R1.325 CN(C)CCCSCCC1CCC1=O 62a_200016118888_100000757444 [0,1,0,1,0,0|2,0,0]=4 22314 B14R1.325 CS(=O)CCCNCCC1CCC1=O 2230a_200000753449_200016118888 [0,1,0,1,0,0|2,0,0]=4 22315 B14R1.329 C=C(C)CCSC1CCCCCC1=O 62a_100000243696_100000730704 [0,1,0,1,0,0|1,0,1]=4 22316 B14R1.329 C=C(C)CCSC1CCCCCC1=O 62a_100000730704_100000243696 [0,1,0,1,0,0|1,0,1]=4 22317 B14R1.329 CC(=O)CCOC1CCCCCC1=O 7a_100000759926_100000243696 [0,1,0,1,0,0|1,0,1]=4 22318 B14R1.329 CC(=O)CCSC1CCCCCC1=O 62a_100000053229_100000243696 [0,1,0,1,0,0|1,0,1]=4 22319 B14R1.329 CC(=O)CCSC1CCCCCC1=O 62a_100000243696_100000053229 [0,1,0,1,0,0|1,0,1]=4 22320 B14R1.329 CC(C)CCNC1CCCCNC1=O 2230a_100000698827_100000210312 [0,1,0,1,0,0|2,0,0]=4 22321 B14R1.329 CC(C)CCNC1CCCCNC1=O 269862a_100000698827_100000185833 [0,1,0,1,0,0|2,0,0]=4 22322 B14R1.329 CC(C)CCNC1CCCCNC1=O 34a_100000698827_100000210312 [0,1,0,1,0,0|2,0,0]=4 22323 B14R1.329 CC(C)CCOC1CCCCCC1=O 7a_100000210254_100000243696 [0,1,0,1,0,0|1,0,0]=3 22324 B14R1.329 CC(C)CCOC1CCCCNC1=O 7a_100000210254_100000735217 [0,1,0,1,0,0|2,0,0]=4 22325 B14R1.329 CC(C)CCSC1CCCCCC1=O 62a_100000210312_100000243696 [0,1,0,1,0,0|1,0,0]=3 22326 B14R1.329 CC(C)CCSC1CCCCCC1=O 62a_100000243696_100000210312 [0,1,0,1,0,0|1,0,0]=3 22327 B14R1.329 CC(C)CCSC1CCCCNC1=O 62a_100000210312_100000735217 [0,1,0,1,0,0|2,0,0]=4 22328 B14R1.329 CC(C)CCSC1CCCCNC1=O 62a_100000735217_100000210312 [0,1,0,1,0,0|2,0,0]=4 22329 B14R1.329 CC(C)OCSC1CCCCCC1=O 62a_100000243696_100000709892 [0,1,0,1,0,0|2,0,0]=4 22330 B14R1.329 CC(C)OCSC1CCCCCC1=O 62a_100000709892_100000243696 [0,1,0,1,0,0|2,0,0]=4 22331 B14R1.329 CC(O)CCNC1CCCCNC1=O 2230a_100000698827_100012276601 [0,1,0,1,0,0|2,0,0]=4 22332 B14R1.329 CC(O)CCNC1CCCCNC1=O 2230a_200000755665_100000735217 [0,1,0,1,0,0|2,0,0]=4 22333 B14R1.329 CC(O)CCNC1CCCCNC1=O 34a_100000698827_100012276601 [0,1,0,1,0,0|2,0,0]=4 22334 B14R1.329 CC(O)CCSC1CCCCCC1=O 62a_100000243696_100012276601 [0,1,0,1,0,0|1,0,0]=3 22335 B14R1.329 CC(O)CCSC1CCCCCC1=O 62a_100012276601_100000243696 [0,1,0,1,0,0|1,0,0]=3 22336 B14R1.329 CC(O)CCSC1CCCCNC1=O 62a_100000735217_100012276601 [0,1,0,1,0,0|2,0,0]=4 22337 B14R1.329 CC(O)CCSC1CCCCNC1=O 62a_100012276601_100000735217 [0,1,0,1,0,0|2,0,0]=4 22338 B14R1.329 CN(C)CCSC1CCCCCC1=O 62a_100000243696_100000755713 [0,1,0,1,0,0|2,0,0]=4 22339 B14R1.422 C=C(Br)CCOCCC1CCCCC1 34a_100009813270_100011209188 [0,1,0,1,0,0|2,0,0]=4 22340 B14R1.422 C=C(C)CCNCCC1CCCCC1 2230a_100000738074_100000730704 [0,1,0,1,0,0|2,0,0]=4 22341 B14R1.422 C=C(C)CCNCCC1CCCCC1 34a_100000738074_100000730704 [0,1,0,1,0,0|2,0,0]=4 22342 B14R1.422 C=C(C)CCOCCC1CCCCC1 34a_100000764851_100011209188 [0,1,0,1,0,0|2,0,0]=4 22343 B14R1.422 C=C(C)CCOCCC1CCCCC1 34a_100011217863_100000730704 [0,1,0,1,0,0|2,0,0]=4 22344 B14R1.422 C=C(C)CCOCCC1CCCCC1 7a_100011217863_100000730704 [0,1,0,1,0,0|2,0,0]=4 22345 B14R1.422 C=C(C)CCSCCC1CCCCC1 62a_100000730704_100012355289 [0,1,0,1,0,0|2,0,0]=4 22346 B14R1.422 C=C(C)CCSCCC1CCCCC1 62a_100012355289_100000730704 [0,1,0,1,0,0|2,0,0]=4 22347 B14R1.422 C=C(C)CNCCCC1CCCCC1 2230a_100011211642_100000748629 [0,1,0,1,0,0|2,0,0]=4 22348 B14R1.422 C=C(C)CNCCCC1CCCCC1 34a_100011211642_100000748629 [0,1,0,1,0,0|2,0,0]=4 22349 B14R1.422 C=C(C)COCCCC1CCCCC1 34a_100000198086_100000748629 [0,1,0,1,0,0|2,0,0]=4 22350 B14R1.422 C=C(C)COCCCC1CCCCC1 34a_100000210245_100011713725 [0,1,0,1,0,0|2,0,0]=4 22351 B14R1.422 C=C(C)COCCCC1CCCCC1 7a_100000198086_100000748629 [0,1,0,1,0,0|2,0,0]=4 22352 B14R1.422 C=C(C)CSCCCC1CCCCC1 62a_100000748629_100011713725 [0,1,0,1,0,0|2,0,0]=4 22353 B14R1.422 C=C(C)CSCCCC1CCCCC1 62a_100011713725_100000211660 [0,1,0,1,0,0|2,0,0]=4 22354 B14R1.422 C=C(F)CNCCCC1CCCCC1 2230a_100011211642_100009893438 [0,1,0,1,0,0|2,0,0]=4 22355 B14R1.422 C=C(F)CNCCCC1CCCCC1 34a_100011211642_100009893438 [0,1,0,1,0,0|2,0,0]=4 22356 B14R1.422 C=C(F)COCCCC1CCCCC1 34a_100000198086_100009893438 [0,1,0,1,0,0|2,0,0]=4 22357 B14R1.422 C=C(F)COCCCC1CCCCC1 34a_200010262243_100011713725 [0,1,0,1,0,0|2,0,0]=4 22358 B14R1.422 C=C(F)COCCCC1CCCCC1 7a_100000198086_100000042424 [0,1,0,1,0,0|2,0,0]=4 22359 B14R1.422 C=C(F)CSCCCC1CCCCC1 62a_100000042424_100011713725 [0,1,0,1,0,0|2,0,0]=4 22360 B14R1.422 C=C(F)CSCCCC1CCCCC1 62a_100011713725_100000042424 [0,1,0,1,0,0|2,0,0]=4 22361 B14R1.422 CC(=O)CCCCCN1CCCCC1 1458a_100012051570_200000210301 [0,1,0,1,0,0|1,0,0]=3 22362 B14R1.422 CC(=O)CCCCCN1CCOCC1 1458a_100012051560_200000210301 [0,1,0,1,0,0|2,0,0]=4 22363 B14R1.422 CC(=O)CCCCNC1CCCCC1 34a_100000182618_100009817362 [0,1,0,1,0,0|1,0,0]=3 22364 B14R1.422 CC(=O)CCCCNC1CCCOC1 34a_100000719290_100009817362 [0,1,0,1,0,0|2,0,0]=4 22365 B14R1.422 CC(=O)CCCCNC1CCOCC1 34a_100000741149_100009817362 [0,1,0,1,0,0|2,0,0]=4 22366 B14R1.422 CC(=O)CCCCNC1CCSCC1 34a_100000748639_100009817362 [0,1,0,1,0,0|2,0,0]=4 22367 B14R1.422 CC(=O)CCCCOC1CCCCC1 34a_100000210231_100009817362 [0,1,0,1,0,0|1,0,0]=3 22368 B14R1.422 CC(=O)CCCCOC1CCCCC1 7a_100000210231_100000735457 [0,1,0,1,0,0|1,0,0]=3 22369 B14R1.422 CC(=O)CCCCOC1CCCCO1 1458a_100000070787_100000031530 [0,1,0,1,0,0|2,0,0]=4 22370 B14R1.422 CC(=O)CCCCOC1CCCCO1 34a_100000033831_100009817362 [0,1,0,1,0,0|2,0,0]=4 22371 B14R1.422 CC(=O)CCCCOC1CCCOC1 34a_100000754041_100009817362 [0,1,0,1,0,0|2,0,0]=4 22372 B14R1.422 CC(=O)CCCCOC1CCCSC1 7a_100015962668_100000735457 [0,1,0,1,0,0|2,0,0]=4 22373 B14R1.422 CC(=O)CCCCOC1CCOCC1 34a_100000744328_100009817362 [0,1,0,1,0,0|2,0,0]=4 22374 B14R1.422 CC(=O)CCCCOC1CCSCC1 34a_100000731022_100009817362 [0,1,0,1,0,0|2,0,0]=4 22375 B14R1.422 CC(=O)CCCCOC1CCSCC1 7a_100000731022_100000735457 [0,1,0,1,0,0|2,0,0]=4 22376 B14R1.422 CC(=O)CCCCSC1CCCCC1 62a_100000210327_100000735457 [0,1,0,1,0,0|1,0,0]=3 22377 B14R1.422 CC(=O)CCCCSC1CCCCC1 62a_100000735457_100000210327 [0,1,0,1,0,0|1,0,0]=3 22378 B14R1.422 CC(=O)CCCCSC1CCCOC1 62a_100000735457_100000693364 [0,1,0,1,0,0|2,0,0]=4 22379 B14R1.422 CC(=O)CCCCSC1CCOCC1 62a_100000735457_100011324220 [0,1,0,1,0,0|2,0,0]=4 22380 B14R1.422 CC(=O)CCCCSC1CCSCC1 62a_100000735457_100000069128 [0,1,0,1,0,0|2,0,0]=4 22381 B14R1.422 CC(=O)CCCNCC1CCCCC1 34a_100000210473_100000685027 [0,1,0,1,0,0|1,0,0]=3 22382 B14R1.422 CC(=O)CCCNCC1CCCCO1 34a_100000174945_100000685027 [0,1,0,1,0,0|2,0,0]=4 22383 B14R1.422 CC(=O)CCCNCC1CCCOC1 34a_100000720124_100000685027 [0,1,0,1,0,0|2,0,0]=4 22384 B14R1.422 CC(=O)CCCNCC1CCOCC1 34a_100000746373_100000685027 [0,1,0,1,0,0|2,0,0]=4 22385 B14R1.422 CC(=O)CCCNCC1CCSCC1 34a_100015188806_100000685027 [0,1,0,1,0,0|2,0,0]=4 22386 B14R1.422 CC(=O)CCCOCC1CCCCC1 34a_100000212181_100000685027 [0,1,0,1,0,0|1,0,0]=3 22387 B14R1.422 CC(=O)CCCOCC1CCCCC1 34a_100000759063_100000211423 [0,1,0,1,0,0|1,0,0]=3 22388 B14R1.422 CC(=O)CCCOCC1CCCCC1 7a_100000212181_100011215641 [0,1,0,1,0,0|1,0,0]=3 22389 B14R1.422 CC(=O)CCCOCC1CCCCC1 7a_100000759063_100000211423 [0,1,0,1,0,0|1,0,0]=3 22390 B14R1.422 CC(=O)CCCOCC1CCCCN1 34a_100000210821_100000685027 [0,1,0,1,0,0|2,0,0]=4 22391 B14R1.422 CC(=O)CCCOCC1CCCCO1 34a_100000211370_100000685027 [0,1,0,1,0,0|2,0,0]=4 22392 B14R1.422 CC(=O)CCCOCC1CCCCO1 34a_100000759063_100000211543 [0,1,0,1,0,0|2,0,0]=4 22393 B14R1.422 CC(=O)CCCOCC1CCCCO1 7a_100000211370_100011215641 [0,1,0,1,0,0|2,0,0]=4 22394 B14R1.422 CC(=O)CCCOCC1CCCCO1 7a_100000759063_100000211543 [0,1,0,1,0,0|2,0,0]=4 22395 B14R1.422 CC(=O)CCCOCC1CCCNC1 34a_100000211344_100000685027 [0,1,0,1,0,0|2,0,0]=4 22396 B14R1.422 CC(=O)CCCOCC1CCCOC1 34a_100000741520_100000685027 [0,1,0,1,0,0|2,0,0]=4 22397 B14R1.422 CC(=O)CCCOCC1CCCOC1 34a_100000759063_100000741521 [0,1,0,1,0,0|2,0,0]=4 22398 B14R1.422 CC(=O)CCCOCC1CCCOC1 7a_100000759063_100000741521 [0,1,0,1,0,0|2,0,0]=4 22399 B14R1.422 CC(=O)CCCOCC1CCNCC1 34a_100000738675_100000685027 [0,1,0,1,0,0|2,0,0]=4 22400 B14R1.422 CC(=O)CCCOCC1CCOCC1 34a_100000749013_100000685027 [0,1,0,1,0,0|2,0,0]=4 22401 B14R1.422 CC(=O)CCCOCC1CCOCC1 34a_100000759063_100000754603 [0,1,0,1,0,0|2,0,0]=4 22402 B14R1.422 CC(=O)CCCOCC1CCOCC1 7a_100000759063_100000754603 [0,1,0,1,0,0|2,0,0]=4 22403 B14R1.422 CC(=O)CCCOCC1CCSCC1 34a_100000070558_100000685027 [0,1,0,1,0,0|2,0,0]=4 22404 B14R1.422 CC(=O)CCCOCC1CCSCC1 7a_100000070558_100011215641 [0,1,0,1,0,0|2,0,0]=4 22405 B14R1.422 CC(=O)CCCSCC1CCCCC1 62a_100000211423_100011215641 [0,1,0,1,0,0|1,0,0]=3 22406 B14R1.422 CC(=O)CCCSCC1CCCCC1 62a_100011215641_100000211423 [0,1,0,1,0,0|1,0,0]=3 22407 B14R1.422 CC(=O)CCCSCC1CCCCO1 62a_100000211543_100011215641 [0,1,0,1,0,0|2,0,0]=4 22408 B14R1.422 CC(=O)CCCSCC1CCCCO1 62a_100011215641_100000211543 [0,1,0,1,0,0|2,0,0]=4 22409 B14R1.422 CC(=O)CCCSCC1CCCOC1 62a_100000741521_100011215641 [0,1,0,1,0,0|2,0,0]=4 22410 B14R1.422 CC(=O)CCCSCC1CCCOC1 62a_100011215641_100000741521 [0,1,0,1,0,0|2,0,0]=4 22411 B14R1.422 CC(=O)CCCSCC1CCOCC1 62a_100000754603_100011215641 [0,1,0,1,0,0|2,0,0]=4 22412 B14R1.422 CC(=O)CCCSCC1CCOCC1 62a_100011215641_100000749018 [0,1,0,1,0,0|2,0,0]=4 22413 B14R1.422 CC(=O)CCOCCC1CCCCC1 34a_100000759926_100011209188 [0,1,0,1,0,0|1,0,0]=3 22414 B14R1.422 CC(=O)CCOCCC1CCCCC1 7a_100000759926_100011273959 [0,1,0,1,0,0|1,0,0]=3 22415 B14R1.422 CC(=O)CCOCCC1CCCCC1 7a_100011217863_100000053229 [0,1,0,1,0,0|1,0,0]=3 22416 B14R1.422 CC(=O)CCOCCC1CCOCC1 34a_100000759926_100011934994 [0,1,0,1,0,0|2,0,0]=4 22417 B14R1.422 CC(=O)CCOCCC1CCOCC1 7a_100000759926_100011934994 [0,1,0,1,0,0|2,0,0]=4 22418 B14R1.422 CC(=O)CCOCCC1CCOCC1 7a_100011933979_100000053229 [0,1,0,1,0,0|2,0,0]=4 22419 B14R1.422 CC(=O)CCOCCN1CCCCC1 34a_100000759926_100000739454 [0,1,0,1,0,0|2,0,0]=4 22420 B14R1.422 CC(=O)CCOCCN1CCCCC1 7a_100000759926_100000739454 [0,1,0,1,0,0|2,0,0]=4 22421 B14R1.422 CC(=O)CCOCOC1CCCCC1 34a_100000759926_100011935260 [0,1,0,1,0,0|2,0,0]=4 22422 B14R1.422 CC(=O)CCOCOC1CCCCC1 7a_100000759926_100011935260 [0,1,0,1,0,0|2,0,0]=4 22423 B14R1.422 CC(=O)CCSCCC1CCCCC1 62a_100000053229_100012355289 [0,1,0,1,0,0|1,0,0]=3 22424 B14R1.422 CC(=O)CCSCCC1CCCCC1 62a_100012355289_100000053229 [0,1,0,1,0,0|1,0,0]=3 22425 B14R1.422 CC(=O)CCSCCC1CCOCC1 62a_100000053229_100011934994 [0,1,0,1,0,0|2,0,0]=4 22426 B14R1.422 CC(=O)CCSCCC1CCOCC1 62a_100011934994_100000053229 [0,1,0,1,0,0|2,0,0]=4 22427 B14R1.422 CC(=O)CCSCCN1CCCCC1 62a_100000053229_100000739454 [0,1,0,1,0,0|2,0,0]=4 22428 B14R1.422 CC(=O)CCSCCN1CCCCC1 62a_100000739454_100000053229 [0,1,0,1,0,0|2,0,0]=4 22429 B14R1.422 CC(=O)CCSCOC1CCCCC1 62a_100000053229_100011935260 [0,1,0,1,0,0|2,0,0]=4 22430 B14R1.422 CC(=O)CCSCOC1CCCCC1 62a_100011935260_100000053229 [0,1,0,1,0,0|2,0,0]=4 22431 B14R1.422 CC(=O)COCCCC1CCCCC1 34a_100000211253_100011713725 [0,1,0,1,0,0|1,0,0]=3 22432 B14R1.422 CC(=O)COCCCN1CCCCC1 34a_100000211253_100000690320 [0,1,0,1,0,0|2,0,0]=4 22433 B14R1.422 CC(=O)COCCOC1CCCCC1 34a_100000211253_100011211530 [0,1,0,1,0,0|2,0,0]=4 22434 B14R1.422 CC(=O)NCCCCN1CCCCC1 240690a_200011207366_100015343762 [0,1,0,1,0,0|2,0,0]=4 22435 B14R1.422 CC(=O)NCCCNC1CCCCC1 270004a_100000736810_100000210434 [0,1,0,1,0,0|2,0,0]=4 22436 B14R1.422 CC(=O)NCCCNC1CCCCC1 34a_100000736810_100000210327 [0,1,0,1,0,0|2,0,0]=4 22437 B14R1.422 CC(=O)NCCCOC1CCCCC1 11a_100000205933_100015343762 [0,1,0,1,0,0|2,0,0]=4 22438 B14R1.422 CC(=O)NCCCOC1CCCCC1 1626a_100000205933_100015343762 [0,1,0,1,0,0|2,0,0]=4 22439 B14R1.422 CC(=O)NCCCOC1CCCCC1 240690a_100000205933_100015343762 [0,1,0,1,0,0|2,0,0]=4 22440 B14R1.422 CC(=O)NCCCOC1CCCCC1 34a_100000752032_100000210327 [0,1,0,1,0,0|2,0,0]=4 22441 B14R1.422 CC(=O)NCCCOC1CCCCC1 527a_100000205933_100103153847 [0,1,0,1,0,0|2,0,0]=4 22442 B14R1.422 CC(=O)NCCNCC1CCCCC1 2230a_100000209853_100000211423 [0,1,0,1,0,0|2,0,0]=4 22443 B14R1.422 CC(=O)NCCNCC1CCCCC1 2230a_100000210473_100000189650 [0,1,0,1,0,0|2,0,0]=4 22444 B14R1.422 CC(=O)NCCNCC1CCCCC1 269862a_100000209853_100000211278 [0,1,0,1,0,0|2,0,0]=4 22445 B14R1.422 CC(=O)NCCOCC1CCCCC1 34a_100000158858_100000211423 [0,1,0,1,0,0|2,0,0]=4 22446 B14R1.422 CC(=O)NCCOCC1CCCCC1 7a_100000212181_100000189650 [0,1,0,1,0,0|2,0,0]=4 22447 B14R1.422 CC(=O)NCCSCC1CCCCC1 62a_100000189650_100000211423 [0,1,0,1,0,0|2,0,0]=4 22448 B14R1.422 CC(=O)NCCSCC1CCCCC1 62a_100000211423_100000189650 [0,1,0,1,0,0|2,0,0]=4 22449 B14R1.422 CC(=O)OCCCNC1CCCCC1 34a_100000182618_100000042594 [0,1,0,1,0,0|2,0,0]=4 22450 B14R1.422 CC(=O)OCCCOC1CCCCC1 34a_100000210231_100000042594 [0,1,0,1,0,0|2,0,0]=4 22451 B14R1.422 CC(=O)OCCCOC1CCCCC1 7a_100000210231_100000042594 [0,1,0,1,0,0|2,0,0]=4 22452 B14R1.422 CC(=O)OCCCSC1CCCCC1 62a_100000042594_100000210327 [0,1,0,1,0,0|2,0,0]=4 22453 B14R1.422 CC(=O)OCCCSC1CCCCC1 62a_100000210327_100000042594 [0,1,0,1,0,0|2,0,0]=4 22454 B14R1.422 CC(=O)OCCNCC1CCCCC1 34a_100000210473_100009814007 [0,1,0,1,0,0|2,0,0]=4 22455 B14R1.422 CC(=O)OCCOCC1CCCCC1 34a_100000212181_100009814007 [0,1,0,1,0,0|2,0,0]=4 22456 B14R1.422 CC(=O)OCCOCC1CCCCC1 7a_100000212181_100009814007 [0,1,0,1,0,0|2,0,0]=4 22457 B14R1.422 CC(=O)OCCSCC1CCCCC1 62a_100000211423_100009814007 [0,1,0,1,0,0|2,0,0]=4 22458 B14R1.422 CC(=O)OCCSCC1CCCCC1 62a_100009814007_100000211423 [0,1,0,1,0,0|2,0,0]=4 22459 B14R1.422 CC(=O)OCNCCC1CCCCC1 34a_100000738074_100009813279 [0,1,0,1,0,0|2,0,0]=4 22460 B14R1.422 CC(=O)OCOCCC1CCCCC1 34a_100011217863_100009813279 [0,1,0,1,0,0|2,0,0]=4 22461 B14R1.422 CC(=O)OCSCCC1CCCCC1 62a_100000076356_100012355289 [0,1,0,1,0,0|2,0,0]=4 22462 B14R1.422 CC(=O)OCSCCC1CCCCC1 62a_100012355289_100000076356 [0,1,0,1,0,0|2,0,0]=4 22463 B14R1.422 CC(=O)SCCCNC1CCCCC1 2230a_100000182618_100000038929 [0,1,0,1,0,0|2,0,0]=4 22464 B14R1.422 CC(=O)SCCCNC1CCCCC1 34a_100000182618_100000038929 [0,1,0,1,0,0|2,0,0]=4 22465 B14R1.422 CC(=O)SCCCOC1CCCCC1 34a_100000210231_100000038929 [0,1,0,1,0,0|2,0,0]=4 22466 B14R1.422 CC(=O)SCCCOC1CCCCC1 7a_100000210231_100000038929 [0,1,0,1,0,0|2,0,0]=4 22467 B14R1.422 CC(=O)SCCCSC1CCCCC1 62a_100000038929_100000210327 [0,1,0,1,0,0|2,0,0]=4 22468 B14R1.422 CC(=O)SCCCSC1CCCCC1 62a_100000210327_100000038929 [0,1,0,1,0,0|2,0,0]=4 22469 B14R1.422 CC(=O)SCCNCC1CCCCC1 269862a_100020647217_100000211278 [0,1,0,1,0,0|2,0,0]=4 22470 B14R1.422 CC(C)CCCCOC1C=CCCC1 34a_100011215024_100011216152 [0,1,0,1,0,0|2,0,0]=4 22471 B14R1.422 CC(C)CCCCOC1C=CCCC1 7a_100011214890_100000751183 [0,1,0,1,0,0|2,0,0]=4 22472 B14R1.422 CC(C)CCCCSC1C=CCCC1 62a_100000751183_100011216152 [0,1,0,1,0,0|2,0,0]=4 22473 B14R1.422 CC(C)CCCCSC1C=CCCC1 62a_100011216152_100000751183 [0,1,0,1,0,0|2,0,0]=4 22474 B14R1.422 CS(=O)CCCNCC1CCCCC1 2230a_200000753449_100000211423 [0,1,0,1,0,0|2,0,0]=4 22475 B14R1.422 NC(=O)CCCCCN1CCCOC1 2230a_100000131196_100009817443 [0,1,0,1,0,0|2,0,0]=4 22476 B14R1.422 NC(=O)CCCCCN1CCCOC1 269982a_100000131196_100009817443 [0,1,0,1,0,0|2,0,0]=4 22477 B14R1.422 NC(=O)CCCCCN1CCCOC1 34a_100000131196_100009817443 [0,1,0,1,0,0|2,0,0]=4 22478 B14R1.422 NC(=O)CCCCCN1CCOCC1 2230a_100015191051_100009817443 [0,1,0,1,0,0|2,0,0]=4 22479 B14R1.422 NC(=O)CCCCCN1CCOCC1 269982a_100015191051_100009817443 [0,1,0,1,0,0|2,0,0]=4 22480 B14R1.422 NC(=O)CCCCCN1CCOCC1 34a_100015191051_100009817443 [0,1,0,1,0,0|2,0,0]=4 22481 B14R1.422 NC(=O)CCCCCN1CCSCC1 2230a_100000737611_100009817443 [0,1,0,1,0,0|2,0,0]=4 22482 B14R1.422 NC(=O)CCCCCN1CCSCC1 269982a_100000737611_100009817443 [0,1,0,1,0,0|2,0,0]=4 22483 B14R1.422 NC(=O)CCCCNC1CCCCC1 270004a_100000696515_100000210434 [0,1,0,1,0,0|1,0,0]=3 22484 B14R1.422 NC(=O)CCCCNC1CCCCC1 34a_100000696515_100000210327 [0,1,0,1,0,0|1,0,0]=3 22485 B14R1.422 NC(=O)CCCCNC1CCCOC1 270004a_100000696515_100000753404 [0,1,0,1,0,0|2,0,0]=4 22486 B14R1.422 NC(=O)CCCCNC1CCCOC1 34a_100000696515_100000693364 [0,1,0,1,0,0|2,0,0]=4 22487 B14R1.422 NC(=O)CCCCNC1CCCSC1 270004a_100000696515_100000057913 [0,1,0,1,0,0|2,0,0]=4 22488 B14R1.422 NC(=O)CCCCNC1CCNCC1 270004a_100000696515_100015192401 [0,1,0,1,0,0|2,0,0]=4 22489 B14R1.422 NC(=O)CCCCNC1CCOCC1 270004a_100000696515_100011217826 [0,1,0,1,0,0|2,0,0]=4 22490 B14R1.422 NC(=O)CCCCNC1CCSCC1 270004a_100000696515_100000203788 [0,1,0,1,0,0|2,0,0]=4 22491 B14R1.422 NC(=O)CCCCNC1CCSCC1 34a_100000696515_100000069128 [0,1,0,1,0,0|2,0,0]=4 22492 B14R1.422 NC(=O)CCCCOC1CCCCC1 34a_100012022536_100000210327 [0,1,0,1,0,0|1,0,0]=3 22493 B14R1.422 NC(=O)CCCCOC1CCCCC1 7a_100012022536_100000210327 [0,1,0,1,0,0|1,0,0]=3 22494 B14R1.422 NC(=O)CCCCOC1CCCOC1 34a_100012022536_100000693364 [0,1,0,1,0,0|2,0,0]=4 22495 B14R1.422 NC(=O)CCCCOC1CCCOC1 7a_100012022536_100000693364 [0,1,0,1,0,0|2,0,0]=4 22496 B14R1.422 NC(=O)CCCCOC1CCOCC1 7a_100012022536_100000686592 [0,1,0,1,0,0|2,0,0]=4 22497 B14R1.422 NC(=O)CCCCOC1CCSCC1 34a_100012022536_100000069128 [0,1,0,1,0,0|2,0,0]=4 22498 B14R1.422 NC(=O)CCCCOC1CCSCC1 7a_100012022536_100011500858 [0,1,0,1,0,0|2,0,0]=4 22499 B14R1.422 NC(=O)CCCNCC1CCCCC1 269862a_100000739312_100000211278 [0,1,0,1,0,0|1,0,0]=3 22500 B14R1.422 NC(=O)CCCNCC1CCCCC1 34a_100000210473_100102525003 [0,1,0,1,0,0|1,0,0]=3 22501 B14R1.422 NC(=O)CCCNCC1CCCCC1 34a_100000739312_100000211423 [0,1,0,1,0,0|1,0,0]=3 22502 B14R1.422 NC(=O)CCCNCC1CCCCO1 34a_100000174945_100102525003 [0,1,0,1,0,0|2,0,0]=4 22503 B14R1.422 NC(=O)CCCNCC1CCCCO1 34a_100000739312_100000211543 [0,1,0,1,0,0|2,0,0]=4 22504 B14R1.422 NC(=O)CCCNCC1CCCOC1 34a_100000720124_100102525003 [0,1,0,1,0,0|2,0,0]=4 22505 B14R1.422 NC(=O)CCCNCC1CCCOC1 34a_100000739312_100000741521 [0,1,0,1,0,0|2,0,0]=4 22506 B14R1.422 NC(=O)CCCNCC1CCOCC1 269862a_100000739312_100000749017 [0,1,0,1,0,0|2,0,0]=4 22507 B14R1.422 NC(=O)CCCNCC1CCOCC1 34a_100000739312_100000754603 [0,1,0,1,0,0|2,0,0]=4 22508 B14R1.422 NC(=O)CCCNCC1CCOCC1 34a_100000746373_100102525003 [0,1,0,1,0,0|2,0,0]=4 22509 B14R1.422 NC(=O)CCCNCC1CCSCC1 269862a_100000739312_100000067145 [0,1,0,1,0,0|2,0,0]=4 22510 B14R1.422 NC(=O)CCCNCC1CCSCC1 34a_100015188806_100102525003 [0,1,0,1,0,0|2,0,0]=4 22511 B14R1.422 NC(=O)CCCOCC1CCCCC1 34a_100000212181_100102525003 [0,1,0,1,0,0|1,0,0]=3 22512 B14R1.422 NC(=O)CCCOCC1CCCCC1 7a_100000212181_100102525003 [0,1,0,1,0,0|1,0,0]=3 22513 B14R1.422 NC(=O)CCCOCC1CCCCN1 34a_100000210821_100102525003 [0,1,0,1,0,0|2,0,0]=4 22514 B14R1.422 NC(=O)CCCOCC1CCCCO1 34a_100000211370_100102525003 [0,1,0,1,0,0|2,0,0]=4 22515 B14R1.422 NC(=O)CCCOCC1CCCCO1 7a_100000211370_100102525003 [0,1,0,1,0,0|2,0,0]=4 22516 B14R1.422 NC(=O)CCCOCC1CCCNC1 34a_100000211344_100102525003 [0,1,0,1,0,0|2,0,0]=4 22517 B14R1.422 NC(=O)CCCOCC1CCCOC1 34a_100000741520_100102525003 [0,1,0,1,0,0|2,0,0]=4 22518 B14R1.422 NC(=O)CCCOCC1CCNCC1 34a_100000738675_100102525003 [0,1,0,1,0,0|2,0,0]=4 22519 B14R1.422 NC(=O)CCCOCC1CCOCC1 34a_100000749013_100102525003 [0,1,0,1,0,0|2,0,0]=4 22520 B14R1.422 NC(=O)CCCOCC1CCSCC1 34a_100000070558_100102525003 [0,1,0,1,0,0|2,0,0]=4 22521 B14R1.422 NC(=O)CCCOCC1CCSCC1 7a_100000070558_100102525003 [0,1,0,1,0,0|2,0,0]=4 22522 B14R1.422 NC(=O)CCCSCC1CCCCC1 62a_100000211423_100102525003 [0,1,0,1,0,0|1,0,0]=3 22523 B14R1.422 NC(=O)CCCSCC1CCCCC1 62a_100102525003_100000211423 [0,1,0,1,0,0|1,0,0]=3 22524 B14R1.422 NC(=O)CCCSCC1CCCCO1 62a_100000211543_100102525003 [0,1,0,1,0,0|2,0,0]=4 22525 B14R1.422 NC(=O)CCCSCC1CCCCO1 62a_100102525003_100000211543 [0,1,0,1,0,0|2,0,0]=4 22526 B14R1.422 NC(=O)CCCSCC1CCCOC1 62a_100000741521_100102525003 [0,1,0,1,0,0|2,0,0]=4 22527 B14R1.422 NC(=O)CCCSCC1CCCOC1 62a_100102525003_100000741521 [0,1,0,1,0,0|2,0,0]=4 22528 B14R1.422 NC(=O)CCCSCC1CCOCC1 62a_100000754603_100102525003 [0,1,0,1,0,0|2,0,0]=4 22529 B14R1.422 NC(=O)CCCSCC1CCOCC1 62a_100102525003_100000749018 [0,1,0,1,0,0|2,0,0]=4 22530 B14R1.422 NC(=O)CCNCCC1CCCCC1 2230a_100000738074_100000744528 [0,1,0,1,0,0|1,0,0]=3 22531 B14R1.422 NC(=O)CCNCCC1CCCCC1 34a_100000738074_100000731001 [0,1,0,1,0,0|1,0,0]=3 22532 B14R1.422 NC(=O)CCNCCC1CCCCO1 2230a_100015183643_100000744528 [0,1,0,1,0,0|2,0,0]=4 22533 B14R1.422 NC(=O)CCNCCC1CCCCO1 34a_100015183643_100000731001 [0,1,0,1,0,0|2,0,0]=4 22534 B14R1.422 NC(=O)CCNCCC1CCOCC1 2230a_100000755988_100000744528 [0,1,0,1,0,0|2,0,0]=4 22535 B14R1.422 NC(=O)CCNCCC1CCOCC1 34a_100000755988_100000731001 [0,1,0,1,0,0|2,0,0]=4 22536 B14R1.422 NC(=O)CCOCCC1CCCCC1 34a_100000757172_100011209188 [0,1,0,1,0,0|1,0,0]=3 22537 B14R1.422 NC(=O)CCOCCC1CCCCC1 34a_100011217863_100000731001 [0,1,0,1,0,0|1,0,0]=3 22538 B14R1.422 NC(=O)CCOCCC1CCCCC1 7a_100000757172_100011273959 [0,1,0,1,0,0|1,0,0]=3 22539 B14R1.422 NC(=O)CCOCCC1CCCCC1 7a_100011217863_100000744528 [0,1,0,1,0,0|1,0,0]=3 22540 B14R1.422 NC(=O)CCOCCC1CCCCN1 34a_100000211664_100000731001 [0,1,0,1,0,0|2,0,0]=4 22541 B14R1.422 NC(=O)CCOCCC1CCCNC1 34a_100000752241_100000731001 [0,1,0,1,0,0|2,0,0]=4 22542 B14R1.422 NC(=O)CCOCCC1CCNCC1 34a_100015190746_100000731001 [0,1,0,1,0,0|2,0,0]=4 22543 B14R1.422 NC(=O)CCOCCC1CCOCC1 34a_100000757172_100011934994 [0,1,0,1,0,0|2,0,0]=4 22544 B14R1.422 NC(=O)CCOCCC1CCOCC1 34a_100011933979_100000731001 [0,1,0,1,0,0|2,0,0]=4 22545 B14R1.422 NC(=O)CCOCCC1CCOCC1 7a_100000757172_100011934994 [0,1,0,1,0,0|2,0,0]=4 22546 B14R1.422 NC(=O)CCOCCC1CCOCC1 7a_100011933979_100000744528 [0,1,0,1,0,0|2,0,0]=4 22547 B14R1.422 NC(=O)CCOCCN1CCCCC1 34a_100000757172_100000739454 [0,1,0,1,0,0|2,0,0]=4 22548 B14R1.422 NC(=O)CCOCCN1CCCCC1 7a_100000757172_100000739454 [0,1,0,1,0,0|2,0,0]=4 22549 B14R1.422 NC(=O)CCOCOC1CCCCC1 34a_100000757172_100011935260 [0,1,0,1,0,0|2,0,0]=4 22550 B14R1.422 NC(=O)CCOCOC1CCCCC1 7a_100000757172_100011935260 [0,1,0,1,0,0|2,0,0]=4 22551 B14R1.422 NC(=O)CCSCCC1CCCCC1 62a_100000744528_100012355289 [0,1,0,1,0,0|1,0,0]=3 22552 B14R1.422 NC(=O)CCSCCC1CCCCC1 62a_100012355289_100000744528 [0,1,0,1,0,0|1,0,0]=3 22553 B14R1.422 NC(=O)CCSCCC1CCOCC1 62a_100000744528_100011934994 [0,1,0,1,0,0|2,0,0]=4 22554 B14R1.422 NC(=O)CCSCCC1CCOCC1 62a_100011934994_100000744528 [0,1,0,1,0,0|2,0,0]=4 22555 B14R1.422 NC(=O)CCSCCN1CCCCC1 62a_100000739454_100000744528 [0,1,0,1,0,0|2,0,0]=4 22556 B14R1.422 NC(=O)CCSCCN1CCCCC1 62a_100000744528_100000739454 [0,1,0,1,0,0|2,0,0]=4 22557 B14R1.422 NC(=O)CCSCOC1CCCCC1 62a_100000744528_100011935260 [0,1,0,1,0,0|2,0,0]=4 22558 B14R1.422 NC(=O)CCSCOC1CCCCC1 62a_100011935260_100000744528 [0,1,0,1,0,0|2,0,0]=4 22559 B14R1.422 NC(=O)CNCCCC1CCCCC1 2230a_100000711301_100011713725 [0,1,0,1,0,0|1,0,0]=3 22560 B14R1.422 NC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000747473 [0,1,0,1,0,0|1,0,0]=3 22561 B14R1.422 NC(=O)CNCCCC1CCCCC1 34a_100011211642_100000187820 [0,1,0,1,0,0|1,0,0]=3 22562 B14R1.422 NC(=O)CNCCCN1CCCCC1 2230a_100000711301_100000690320 [0,1,0,1,0,0|2,0,0]=4 22563 B14R1.422 NC(=O)CNCCOC1CCCCC1 2230a_100000711301_100011211530 [0,1,0,1,0,0|2,0,0]=4 22564 B14R1.422 NC(=O)CNCCOC1CCCCC1 34a_100015206981_100000187820 [0,1,0,1,0,0|2,0,0]=4 22565 B14R1.422 NC(=O)COCCCC1CCCCC1 34a_100000198086_100000187820 [0,1,0,1,0,0|1,0,0]=3 22566 B14R1.422 NC(=O)COCCCC1CCCCC1 7a_100000198086_100000187820 [0,1,0,1,0,0|1,0,0]=3 22567 B14R1.422 NC(=O)COCCCC1CCCCN1 34a_100011934581_100000187820 [0,1,0,1,0,0|2,0,0]=4 22568 B14R1.422 NC(=O)COCCCC1CCCNC1 34a_100150707839_100000187820 [0,1,0,1,0,0|2,0,0]=4 22569 B14R1.422 NC(=O)COCCCC1CCNCC1 34a_100016988962_100000187820 [0,1,0,1,0,0|2,0,0]=4 22570 B14R1.422 NC(=O)COCCCN1CCCCC1 34a_100000212458_100000187820 [0,1,0,1,0,0|2,0,0]=4 22571 B14R1.422 NC(=O)COCCNC1CCCCC1 2230a_100000182618_100000076697 [0,1,0,1,0,0|2,0,0]=4 22572 B14R1.422 NC(=O)COCCNC1CCCCC1 34a_100000182618_100000076697 [0,1,0,1,0,0|2,0,0]=4 22573 B14R1.422 NC(=O)COCCNC1CCCCC1 34a_100000200466_100000187820 [0,1,0,1,0,0|2,0,0]=4 22574 B14R1.422 NC(=O)COCCOC1CCCCC1 34a_100000210231_100000076697 [0,1,0,1,0,0|2,0,0]=4 22575 B14R1.422 NC(=O)COCCOC1CCCCC1 34a_100011249652_100000187820 [0,1,0,1,0,0|2,0,0]=4 22576 B14R1.422 NC(=O)COCCOC1CCCCC1 7a_100000210231_100000076697 [0,1,0,1,0,0|2,0,0]=4 22577 B14R1.422 NC(=O)COCCOC1CCCCC1 7a_100011249652_100000187820 [0,1,0,1,0,0|2,0,0]=4 22578 B14R1.422 NC(=O)COCCSC1CCCCC1 62a_100000076697_100000210327 [0,1,0,1,0,0|2,0,0]=4 22579 B14R1.422 NC(=O)COCCSC1CCCCC1 62a_100000210327_100000076697 [0,1,0,1,0,0|2,0,0]=4 22580 B14R1.422 NC(=O)CSCCCC1CCCCC1 62a_100000747473_100011713725 [0,1,0,1,0,0|1,0,0]=3 22581 B14R1.422 NC(=O)CSCCCC1CCCCC1 62a_100011713725_100000747473 [0,1,0,1,0,0|1,0,0]=3 22582 B14R1.422 NC(=O)CSCCCN1CCCCC1 62a_100000747473_100000007876 [0,1,0,1,0,0|2,0,0]=4 22583 B14R1.422 NC(=O)CSCCCN1CCCCC1 62a_100132302099_100000747473 [0,1,0,1,0,0|2,0,0]=4 22584 B14R1.422 NC(=O)CSCCOC1CCCCC1 62a_100000747473_100011211530 [0,1,0,1,0,0|2,0,0]=4 22585 B14R1.422 NC(=O)CSCCOC1CCCCC1 62a_100011211530_100000747473 [0,1,0,1,0,0|2,0,0]=4 22586 B14R1.422 NC(=O)NCCNCC1CCCCC1 2230a_100000210473_200000034859 [0,1,0,1,0,0|2,0,0]=4 22587 B14R1.422 NC(=O)NCCNCC1CCCCC1 269862a_100020590234_100000211278 [0,1,0,1,0,0|2,0,0]=4 22588 B14R1.422 NC(=O)NCCNCC1CCCCC1 34a_100020590234_100000211423 [0,1,0,1,0,0|2,0,0]=4 22589 B14R1.422 NC(=O)NCCOCC1CCCCC1 34a_100000181757_100000211423 [0,1,0,1,0,0|2,0,0]=4 22590 B14R1.422 NC(=O)NCCOCC1CCCCC1 7a_100000212181_200000034859 [0,1,0,1,0,0|2,0,0]=4 22591 B14R1.422 NC(=O)NCCSCC1CCCCC1 62a_100000211423_200000034859 [0,1,0,1,0,0|2,0,0]=4 22592 B14R1.422 NC(=O)NCCSCC1CCCCC1 62a_200000034859_100000211423 [0,1,0,1,0,0|2,0,0]=4 22593 B14R1.422 NC(=O)OCCNCC1CCCCC1 34a_100000210473_200011214921 [0,1,0,1,0,0|2,0,0]=4 22594 B14R1.422 NC(=O)OCCOCC1CCCCC1 34a_100000212181_200011214921 [0,1,0,1,0,0|2,0,0]=4 22595 B14R1.422 NC(=O)OCCOCC1CCCCC1 7a_100000212181_200011214921 [0,1,0,1,0,0|2,0,0]=4 22596 B14R1.422 NC(=O)OCCOCC1CCCCC1 7a_100000766696_100000211423 [0,1,0,1,0,0|2,0,0]=4 22597 B14R1.422 NC(=O)OCCSCC1CCCCC1 62a_100000211423_200011214921 [0,1,0,1,0,0|2,0,0]=4 22598 B14R1.422 NC(=O)OCCSCC1CCCCC1 62a_200011214921_100000211423 [0,1,0,1,0,0|2,0,0]=4 22599 B14R1.422 O=C(O)CNCCCC1CCCCC1 269956a_100016091260_100011713725 [0,1,0,1,0,0|1,0,0]=3 22600 B14R1.422 O=C(O)CNCCCN1CCCCC1 269956a_100016091260_100000007876 [0,1,0,1,0,0|2,0,0]=4 22601 B14R1.422 O=C(O)CNCCOC1CCCCC1 269956a_100016091260_100011211530 [0,1,0,1,0,0|2,0,0]=4 22602 B14R1.422 O=C(O)COCCNC1CCCCC1 269956a_100000700818_100000210327 [0,1,0,1,0,0|2,0,0]=4 22603 B14R1.422 O=C(O)CONCCC1CCCCC1 269956a_100000106656_100011273959 [0,1,0,1,0,0|2,0,0]=4 22604 B14R1.422 O=C([O-])CNCCCC1CCCCC1 34a_100011211642_100020667443 [0,1,0,1,0,0|1,0,0]=3 22605 B14R1.422 O=C([O-])CNCCOC1CCCCC1 34a_100015206981_100020667443 [0,1,0,1,0,0|2,0,0]=4 22606 B14R1.422 O=C([O-])COCCCC1CCCCC1 34a_100000198086_100020667443 [0,1,0,1,0,0|1,0,0]=3 22607 B14R1.422 O=C([O-])COCCCC1CCCCN1 34a_100011934581_100020667443 [0,1,0,1,0,0|2,0,0]=4 22608 B14R1.422 O=C([O-])COCCCC1CCCNC1 34a_100150707839_100020667443 [0,1,0,1,0,0|2,0,0]=4 22609 B14R1.422 O=C([O-])COCCCC1CCNCC1 34a_100016988962_100020667443 [0,1,0,1,0,0|2,0,0]=4 22610 B14R1.422 O=C([O-])COCCCN1CCCCC1 34a_100000212458_100020667443 [0,1,0,1,0,0|2,0,0]=4 22611 B14R1.422 O=C([O-])COCCNC1CCCCC1 34a_100000200466_100020667443 [0,1,0,1,0,0|2,0,0]=4 22612 B14R1.422 O=C([O-])COCCOC1CCCCC1 34a_100011249652_100020667443 [0,1,0,1,0,0|2,0,0]=4 22613 B14R1.422 O=C([O-])CSCCCC1CCCCC1 62a_100011713725_100020667443 [0,1,0,1,0,0|1,0,0]=3 22614 B14R1.422 O=C([O-])CSCCCC1CCCCC1 62a_100020667443_100011713725 [0,1,0,1,0,0|1,0,0]=3 22615 B14R1.422 O=C([O-])CSCCCN1CCCCC1 62a_100020667443_100000007876 [0,1,0,1,0,0|2,0,0]=4 22616 B14R1.422 O=C([O-])CSCCCN1CCCCC1 62a_100132302099_100020667443 [0,1,0,1,0,0|2,0,0]=4 22617 B14R1.422 O=C([O-])CSCCOC1CCCCC1 62a_100011211530_100020667443 [0,1,0,1,0,0|2,0,0]=4 22618 B14R1.422 O=C([O-])CSCCOC1CCCCC1 62a_100020667443_100011211530 [0,1,0,1,0,0|2,0,0]=4 22619 B14R1.422 O=[N+]([O-])CCCCOC1CCCCC1 34a_200015379883_100000210327 [0,1,0,1,0,0|2,0,0]=4 22620 B14R1.422 O=[N+]([O-])CCCCOC1CCCCC1 7a_200015379883_100000210327 [0,1,0,1,0,0|2,0,0]=4 22621 B14R1.422 O=[N+]([O-])CCCOCC1CCCCC1 34a_200000037920_100000211423 [0,1,0,1,0,0|2,0,0]=4 22622 B14R1.422 O=[N+]([O-])CNCCCC1CCCCC1 34a_100011211642_100000761209 [0,1,0,1,0,0|2,0,0]=4 22623 B14R1.422 O=[N+]([O-])COCCCC1CCCCC1 34a_100000198086_100000761209 [0,1,0,1,0,0|2,0,0]=4 22624 B14R1.422 O=[N+]([O-])CSCCCC1CCCCC1 62a_100011713725_100000761209 [0,1,0,1,0,0|2,0,0]=4 22625 B14R1.422 [13CH3]C(=O)CCCCCN1CCCCC1 1458a_100012051570_200025704644 [0,1,0,1,0,0|1,0,0]=3 22626 B14R1.422 [13CH3]C(=O)CCCCCN1CCOCC1 1458a_100012051560_200025704644 [0,1,0,1,0,0|2,0,0]=4 22627 B14R1.427 C=C(Br)CCOCCCC1CCCC1 34a_100009813270_100011713738 [0,1,0,1,0,0|2,0,0]=4 22628 B14R1.427 C=C(C)CCNCCCC1CCCC1 2230a_100000736752_100000730704 [0,1,0,1,0,0|2,0,0]=4 22629 B14R1.427 C=C(C)CCNCCCC1CCCC1 34a_100000736752_100000730704 [0,1,0,1,0,0|2,0,0]=4 22630 B14R1.427 C=C(C)CCOCCCC1CCCC1 34a_100000764851_100011713738 [0,1,0,1,0,0|2,0,0]=4 22631 B14R1.427 C=C(C)CCOCCCC1CCCC1 34a_100011215328_100000730704 [0,1,0,1,0,0|2,0,0]=4 22632 B14R1.427 C=C(C)CCOCCCC1CCCC1 7a_100011215328_100000730704 [0,1,0,1,0,0|2,0,0]=4 22633 B14R1.427 C=C(C)CCSCCCC1CCCC1 62a_100000730704_100011713738 [0,1,0,1,0,0|2,0,0]=4 22634 B14R1.427 C=C(C)CCSCCCC1CCCC1 62a_100011713738_100000730704 [0,1,0,1,0,0|2,0,0]=4 22635 B14R1.427 CC(=O)CCCCNCC1CCCC1 34a_100000737975_100009817362 [0,1,0,1,0,0|1,0,0]=3 22636 B14R1.427 CC(=O)CCCCNCC1CCOC1 34a_100000737293_100009817362 [0,1,0,1,0,0|2,0,0]=4 22637 B14R1.427 CC(=O)CCCCNC[C@@H]1CCCO1 34a_100020590478_100009817362 [0,1,0,1,0,0|2,0,0]=4 22638 B14R1.427 CC(=O)CCCCOCC1CCCC1 34a_100000742336_100009817362 [0,1,0,1,0,0|1,0,0]=3 22639 B14R1.427 CC(=O)CCCCOCC1CCCC1 7a_100000742336_100000735457 [0,1,0,1,0,0|1,0,0]=3 22640 B14R1.427 CC(=O)CCCCOCC1CCCO1 34a_100000210270_100009817362 [0,1,0,1,0,0|2,0,0]=4 22641 B14R1.427 CC(=O)CCCCOCC1CCCO1 7a_100000210270_100000735457 [0,1,0,1,0,0|2,0,0]=4 22642 B14R1.427 CC(=O)CCCCOCC1CCNC1 34a_100000748654_100009817362 [0,1,0,1,0,0|2,0,0]=4 22643 B14R1.427 CC(=O)CCCCOCC1CCOC1 34a_100000740260_100009817362 [0,1,0,1,0,0|2,0,0]=4 22644 B14R1.427 CC(=O)CCCCOC[C@H]1CCCN1 34a_100000745186_100009817362 [0,1,0,1,0,0|2,0,0]=4 22645 B14R1.427 CC(=O)CCCCSCC1CCCC1 62a_100000735457_100000740388 [0,1,0,1,0,0|1,0,0]=3 22646 B14R1.427 CC(=O)CCCCSCC1CCCC1 62a_100000740388_100000735457 [0,1,0,1,0,0|1,0,0]=3 22647 B14R1.427 CC(=O)CCCCSCC1CCCO1 62a_100000203698_100000735457 [0,1,0,1,0,0|2,0,0]=4 22648 B14R1.427 CC(=O)CCCCSCC1CCCO1 62a_100000735457_100000203698 [0,1,0,1,0,0|2,0,0]=4 22649 B14R1.427 CC(=O)CCCCSCC1CCOC1 62a_100000702531_100000735457 [0,1,0,1,0,0|2,0,0]=4 22650 B14R1.427 CC(=O)CCCCSCC1CCOC1 62a_100000735457_100000702531 [0,1,0,1,0,0|2,0,0]=4 22651 B14R1.427 CC(=O)CCCNCCC1CCCC1 34a_100000739158_100000685027 [0,1,0,1,0,0|1,0,0]=3 22652 B14R1.427 CC(=O)CCCOCCC1CCCC1 34a_100000749090_100000685027 [0,1,0,1,0,0|1,0,0]=3 22653 B14R1.427 CC(=O)CCCOCCC1CCCC1 34a_100000759063_100000760354 [0,1,0,1,0,0|1,0,0]=3 22654 B14R1.427 CC(=O)CCCOCCC1CCCC1 7a_100000749090_100011215641 [0,1,0,1,0,0|1,0,0]=3 22655 B14R1.427 CC(=O)CCCOCCC1CCCC1 7a_100000759063_100000760354 [0,1,0,1,0,0|1,0,0]=3 22656 B14R1.427 CC(=O)CCCOCCC1CCNC1 34a_100016987287_100000685027 [0,1,0,1,0,0|2,0,0]=4 22657 B14R1.427 CC(=O)CCCOCCC1CCOC1 34a_100011879284_100000685027 [0,1,0,1,0,0|2,0,0]=4 22658 B14R1.427 CC(=O)CCCOCCN1CCCC1 7a_100000759063_100000004467 [0,1,0,1,0,0|2,0,0]=4 22659 B14R1.427 CC(=O)CCCSCCC1CCCC1 62a_100000760354_100011215641 [0,1,0,1,0,0|1,0,0]=3 22660 B14R1.427 CC(=O)CCCSCCC1CCCC1 62a_100011215641_100000760354 [0,1,0,1,0,0|1,0,0]=3 22661 B14R1.427 CC(=O)CCCSCCN1CCCC1 62a_100000700749_100011215641 [0,1,0,1,0,0|2,0,0]=4 22662 B14R1.427 CC(=O)CCCSCCN1CCCC1 62a_100011215641_100000004467 [0,1,0,1,0,0|2,0,0]=4 22663 B14R1.427 CC(=O)CCOCCCC1CCCC1 34a_100000759926_100011713738 [0,1,0,1,0,0|1,0,0]=3 22664 B14R1.427 CC(=O)CCOCCCC1CCCC1 7a_100000759926_100011713738 [0,1,0,1,0,0|1,0,0]=3 22665 B14R1.427 CC(=O)CCOCCCC1CCCC1 7a_100011215328_100000053229 [0,1,0,1,0,0|1,0,0]=3 22666 B14R1.427 CC(=O)CCOCCCN1CCCC1 34a_100000759926_100016991639 [0,1,0,1,0,0|2,0,0]=4 22667 B14R1.427 CC(=O)CCOCCCN1CCCC1 7a_100000759926_100011445909 [0,1,0,1,0,0|2,0,0]=4 22668 B14R1.427 CC(=O)CCOCCOC1CCCC1 7a_100000738311_100000053229 [0,1,0,1,0,0|2,0,0]=4 22669 B14R1.427 CC(=O)CCSCCCC1CCCC1 62a_100000053229_100011713738 [0,1,0,1,0,0|1,0,0]=3 22670 B14R1.427 CC(=O)CCSCCCC1CCCC1 62a_100011713738_100000053229 [0,1,0,1,0,0|1,0,0]=3 22671 B14R1.427 CC(=O)CCSCCCN1CCCC1 62a_100000053229_100011445909 [0,1,0,1,0,0|2,0,0]=4 22672 B14R1.427 CC(=O)CCSCCCN1CCCC1 62a_100016991639_100000053229 [0,1,0,1,0,0|2,0,0]=4 22673 B14R1.427 CC(=O)NCCCCCN1CCCC1 1626a_100011491779_100015343762 [0,1,0,1,0,0|2,0,0]=4 22674 B14R1.427 CC(=O)NCCCCCN1CCCC1 240690a_100011491779_100015343762 [0,1,0,1,0,0|2,0,0]=4 22675 B14R1.427 CC(=O)NCCCCNC1CCCC1 2230a_200011368371_100000179811 [0,1,0,1,0,0|2,0,0]=4 22676 B14R1.427 CC(=O)NCCCCNC1CCCC1 270004a_200011368371_100000210133 [0,1,0,1,0,0|2,0,0]=4 22677 B14R1.427 CC(=O)NCCCCNC1CCCC1 34a_200011368371_100000179811 [0,1,0,1,0,0|2,0,0]=4 22678 B14R1.427 CC(=O)NCCCNCC1CCCC1 269862a_100000736810_100000746403 [0,1,0,1,0,0|2,0,0]=4 22679 B14R1.427 CC(=O)NCCCNCC1CCCC1 34a_100000736810_100000740388 [0,1,0,1,0,0|2,0,0]=4 22680 B14R1.427 CC(=O)NCCCOCC1CCCC1 34a_100000752032_100000740388 [0,1,0,1,0,0|2,0,0]=4 22681 B14R1.427 CC(=O)NCCNCCC1CCCC1 2230a_100000209853_100000760354 [0,1,0,1,0,0|2,0,0]=4 22682 B14R1.427 CC(=O)NCCNCCC1CCCC1 2230a_100000739158_100000189650 [0,1,0,1,0,0|2,0,0]=4 22683 B14R1.427 CC(=O)NCCOCCC1CCCC1 34a_100000158858_100000760354 [0,1,0,1,0,0|2,0,0]=4 22684 B14R1.427 CC(=O)NCCOCCC1CCCC1 7a_100000749090_100000189650 [0,1,0,1,0,0|2,0,0]=4 22685 B14R1.427 CC(=O)NCCSCCC1CCCC1 62a_100000189650_100000760354 [0,1,0,1,0,0|2,0,0]=4 22686 B14R1.427 CC(=O)NCCSCCC1CCCC1 62a_100000760354_100000189650 [0,1,0,1,0,0|2,0,0]=4 22687 B14R1.427 CC(=O)OCCCCCN1CCCC1 2230a_100000188435_100009813381 [0,1,0,1,0,0|2,0,0]=4 22688 B14R1.427 CC(=O)OCCCCCN1CCCC1 269982a_100000188435_100000033007 [0,1,0,1,0,0|2,0,0]=4 22689 B14R1.427 CC(=O)OCCCCNC1CCCC1 34a_100000211070_100000033659 [0,1,0,1,0,0|2,0,0]=4 22690 B14R1.427 CC(=O)OCCCCOC1CCCC1 34a_100000073216_100000179811 [0,1,0,1,0,0|2,0,0]=4 22691 B14R1.427 CC(=O)OCCCCOC1CCCC1 34a_100000210269_100000033659 [0,1,0,1,0,0|2,0,0]=4 22692 B14R1.427 CC(=O)OCCCCOC1CCCC1 7a_100000073216_100000179811 [0,1,0,1,0,0|2,0,0]=4 22693 B14R1.427 CC(=O)OCCCCOC1CCCC1 7a_100000210269_100000033659 [0,1,0,1,0,0|2,0,0]=4 22694 B14R1.427 CC(=O)OCCCCSC1CCCC1 62a_100000033659_100000179811 [0,1,0,1,0,0|2,0,0]=4 22695 B14R1.427 CC(=O)OCCCCSC1CCCC1 62a_100011217020_100000033659 [0,1,0,1,0,0|2,0,0]=4 22696 B14R1.427 CC(=O)OCCCNCC1CCCC1 34a_100000737975_100000042594 [0,1,0,1,0,0|2,0,0]=4 22697 B14R1.427 CC(=O)OCCCOCC1CCCC1 34a_100000742336_100000042594 [0,1,0,1,0,0|2,0,0]=4 22698 B14R1.427 CC(=O)OCCCOCC1CCCC1 7a_100000742336_100000042594 [0,1,0,1,0,0|2,0,0]=4 22699 B14R1.427 CC(=O)OCCCSCC1CCCC1 62a_100000042594_100000740388 [0,1,0,1,0,0|2,0,0]=4 22700 B14R1.427 CC(=O)OCCCSCC1CCCC1 62a_100000740388_100000042594 [0,1,0,1,0,0|2,0,0]=4 22701 B14R1.427 CC(=O)OCCNCCC1CCCC1 34a_100000739158_100009814007 [0,1,0,1,0,0|2,0,0]=4 22702 B14R1.427 CC(=O)OCCOCCC1CCCC1 34a_100000749090_100009814007 [0,1,0,1,0,0|2,0,0]=4 22703 B14R1.427 CC(=O)OCCOCCC1CCCC1 7a_100000749090_100009814007 [0,1,0,1,0,0|2,0,0]=4 22704 B14R1.427 CC(=O)OCCSCCC1CCCC1 62a_100000760354_100009814007 [0,1,0,1,0,0|2,0,0]=4 22705 B14R1.427 CC(=O)OCCSCCC1CCCC1 62a_100009814007_100000760354 [0,1,0,1,0,0|2,0,0]=4 22706 B14R1.427 CC(=O)OCNCCCC1CCCC1 34a_100000736752_100009813279 [0,1,0,1,0,0|2,0,0]=4 22707 B14R1.427 CC(=O)OCOCCCC1CCCC1 34a_100011215328_100009813279 [0,1,0,1,0,0|2,0,0]=4 22708 B14R1.427 CC(=O)OCSCCCC1CCCC1 62a_100000076356_100011713738 [0,1,0,1,0,0|2,0,0]=4 22709 B14R1.427 CC(=O)OCSCCCC1CCCC1 62a_100011713738_100000076356 [0,1,0,1,0,0|2,0,0]=4 22710 B14R1.427 CC(=O)SCCCCNC1CCCC1 2230a_100000211070_200010402107 [0,1,0,1,0,0|2,0,0]=4 22711 B14R1.427 CC(=O)SCCCCNC1CCCC1 34a_100000211070_200010402107 [0,1,0,1,0,0|2,0,0]=4 22712 B14R1.427 CC(=O)SCCCCOC1CCCC1 34a_100000210269_200010402107 [0,1,0,1,0,0|2,0,0]=4 22713 B14R1.427 CC(=O)SCCCCOC1CCCC1 7a_100000210269_200010402107 [0,1,0,1,0,0|2,0,0]=4 22714 B14R1.427 CC(=O)SCCCCSC1CCCC1 62a_100011217020_200010402107 [0,1,0,1,0,0|2,0,0]=4 22715 B14R1.427 CC(=O)SCCCCSC1CCCC1 62a_200010402107_100000179811 [0,1,0,1,0,0|2,0,0]=4 22716 B14R1.427 CC(=O)SCCCNCC1CCCC1 2230a_100000737975_100000038929 [0,1,0,1,0,0|2,0,0]=4 22717 B14R1.427 CC(=O)SCCCNCC1CCCC1 34a_100000737975_100000038929 [0,1,0,1,0,0|2,0,0]=4 22718 B14R1.427 CC(=O)SCCCOCC1CCCC1 34a_100000742336_100000038929 [0,1,0,1,0,0|2,0,0]=4 22719 B14R1.427 CC(=O)SCCCOCC1CCCC1 7a_100000742336_100000038929 [0,1,0,1,0,0|2,0,0]=4 22720 B14R1.427 CC(=O)SCCCSCC1CCCC1 62a_100000038929_100000740388 [0,1,0,1,0,0|2,0,0]=4 22721 B14R1.427 CC(=O)SCCCSCC1CCCC1 62a_100000740388_100000038929 [0,1,0,1,0,0|2,0,0]=4 22722 B14R1.427 CS(=O)CCCNCCC1CCCC1 2230a_200000753449_100000760354 [0,1,0,1,0,0|2,0,0]=4 22723 B14R1.427 NC(=O)CCCCCNC1CCCC1 2230a_100000211070_100009817443 [0,1,0,1,0,0|1,0,0]=3 22724 B14R1.427 NC(=O)CCCCCNC1CCCC1 34a_100000211070_100009817443 [0,1,0,1,0,0|1,0,0]=3 22725 B14R1.427 NC(=O)CCCCCN[C@@H]1CCOC1 2230a_200015188469_100009817443 [0,1,0,1,0,0|2,0,0]=4 22726 B14R1.427 NC(=O)CCCCCN[C@H]1CCOC1 2230a_100015188467_100009817443 [0,1,0,1,0,0|2,0,0]=4 22727 B14R1.427 NC(=O)CCCCCN[C@H]1CCOC1 34a_100015188467_100009817443 [0,1,0,1,0,0|2,0,0]=4 22728 B14R1.427 NC(=O)CCCCCOC1CCCC1 34a_100000123541_100000179811 [0,1,0,1,0,0|1,0,0]=3 22729 B14R1.427 NC(=O)CCCCCOC1CCCC1 34a_100000210269_100009817443 [0,1,0,1,0,0|1,0,0]=3 22730 B14R1.427 NC(=O)CCCCCOC1CCCC1 7a_100000123541_100000179811 [0,1,0,1,0,0|1,0,0]=3 22731 B14R1.427 NC(=O)CCCCCOC1CCCC1 7a_100000210269_100009817443 [0,1,0,1,0,0|1,0,0]=3 22732 B14R1.427 NC(=O)CCCCCOC1CCCO1 34a_100000085407_100009817443 [0,1,0,1,0,0|2,0,0]=4 22733 B14R1.427 NC(=O)CCCCCOC1CCOC1 34a_100000123541_100000690089 [0,1,0,1,0,0|2,0,0]=4 22734 B14R1.427 NC(=O)CCCCCOC1CCOC1 7a_100000123541_100000731011 [0,1,0,1,0,0|2,0,0]=4 22735 B14R1.427 NC(=O)CCCCCOC1CCSC1 7a_100011232664_100009817443 [0,1,0,1,0,0|2,0,0]=4 22736 B14R1.427 NC(=O)CCCCCO[C@H]1CCOC1 34a_100000717292_100009817443 [0,1,0,1,0,0|2,0,0]=4 22737 B14R1.427 NC(=O)CCCCCSC1CCCC1 62a_100009817443_100000179811 [0,1,0,1,0,0|1,0,0]=3 22738 B14R1.427 NC(=O)CCCCCSC1CCCC1 62a_100011217020_100009817443 [0,1,0,1,0,0|1,0,0]=3 22739 B14R1.427 NC(=O)CCCCCSC1CCOC1 62a_100009817443_100000690089 [0,1,0,1,0,0|2,0,0]=4 22740 B14R1.427 NC(=O)CCCCNCC1CCCC1 269862a_100000696515_100000746403 [0,1,0,1,0,0|1,0,0]=3 22741 B14R1.427 NC(=O)CCCCNCC1CCCC1 34a_100000696515_100000740388 [0,1,0,1,0,0|1,0,0]=3 22742 B14R1.427 NC(=O)CCCCNCC1CCOC1 34a_100000696515_100011261433 [0,1,0,1,0,0|2,0,0]=4 22743 B14R1.427 NC(=O)CCCCOCC1CCCC1 34a_100012022536_100000740388 [0,1,0,1,0,0|1,0,0]=3 22744 B14R1.427 NC(=O)CCCCOCC1CCCC1 7a_100012022536_100000740388 [0,1,0,1,0,0|1,0,0]=3 22745 B14R1.427 NC(=O)CCCCOCC1CCCO1 7a_100012022536_100000203698 [0,1,0,1,0,0|2,0,0]=4 22746 B14R1.427 NC(=O)CCCCOCC1CCOC1 34a_100012022536_100011261433 [0,1,0,1,0,0|2,0,0]=4 22747 B14R1.427 NC(=O)CCCCOCC1CCOC1 7a_100012022536_100000702531 [0,1,0,1,0,0|2,0,0]=4 22748 B14R1.427 NC(=O)CCCNCCC1CCCC1 34a_100000739158_100102525003 [0,1,0,1,0,0|1,0,0]=3 22749 B14R1.427 NC(=O)CCCNCCC1CCCC1 34a_100000739312_100000760354 [0,1,0,1,0,0|1,0,0]=3 22750 B14R1.427 NC(=O)CCCOCCC1CCCC1 34a_100000749090_100102525003 [0,1,0,1,0,0|1,0,0]=3 22751 B14R1.427 NC(=O)CCCOCCC1CCCC1 7a_100000749090_100102525003 [0,1,0,1,0,0|1,0,0]=3 22752 B14R1.427 NC(=O)CCCOCCC1CCNC1 34a_100016987287_100102525003 [0,1,0,1,0,0|2,0,0]=4 22753 B14R1.427 NC(=O)CCCOCCC1CCOC1 34a_100011879284_100102525003 [0,1,0,1,0,0|2,0,0]=4 22754 B14R1.427 NC(=O)CCCSCCC1CCCC1 62a_100000760354_100102525003 [0,1,0,1,0,0|1,0,0]=3 22755 B14R1.427 NC(=O)CCCSCCC1CCCC1 62a_100102525003_100000760354 [0,1,0,1,0,0|1,0,0]=3 22756 B14R1.427 NC(=O)CCCSCCN1CCCC1 62a_100000700749_100102525003 [0,1,0,1,0,0|2,0,0]=4 22757 B14R1.427 NC(=O)CCCSCCN1CCCC1 62a_100102525003_100000004467 [0,1,0,1,0,0|2,0,0]=4 22758 B14R1.427 NC(=O)CCNCCCC1CCCC1 2230a_100000736752_100000744528 [0,1,0,1,0,0|1,0,0]=3 22759 B14R1.427 NC(=O)CCNCCCC1CCCC1 34a_100000736752_100000731001 [0,1,0,1,0,0|1,0,0]=3 22760 B14R1.427 NC(=O)CCNCCOC1CCCC1 34a_100000741755_100000731001 [0,1,0,1,0,0|2,0,0]=4 22761 B14R1.427 NC(=O)CCOCCCC1CCCC1 34a_100000757172_100011713738 [0,1,0,1,0,0|1,0,0]=3 22762 B14R1.427 NC(=O)CCOCCCC1CCCC1 34a_100011215328_100000731001 [0,1,0,1,0,0|1,0,0]=3 22763 B14R1.427 NC(=O)CCOCCCC1CCCC1 7a_100000757172_100011713738 [0,1,0,1,0,0|1,0,0]=3 22764 B14R1.427 NC(=O)CCOCCCC1CCCC1 7a_100011215328_100000744528 [0,1,0,1,0,0|1,0,0]=3 22765 B14R1.427 NC(=O)CCOCCCN1CCCC1 34a_100000757172_100016991639 [0,1,0,1,0,0|2,0,0]=4 22766 B14R1.427 NC(=O)CCOCCCN1CCCC1 7a_100000757172_100011445909 [0,1,0,1,0,0|2,0,0]=4 22767 B14R1.427 NC(=O)CCOCCNC1CCCC1 34a_200000200444_100000731001 [0,1,0,1,0,0|2,0,0]=4 22768 B14R1.427 NC(=O)CCOCCOC1CCCC1 34a_100000738311_100000731001 [0,1,0,1,0,0|2,0,0]=4 22769 B14R1.427 NC(=O)CCOCCOC1CCCC1 7a_100000738311_100000744528 [0,1,0,1,0,0|2,0,0]=4 22770 B14R1.427 NC(=O)CCSCCCC1CCCC1 62a_100000744528_100011713738 [0,1,0,1,0,0|1,0,0]=3 22771 B14R1.427 NC(=O)CCSCCCC1CCCC1 62a_100011713738_100000744528 [0,1,0,1,0,0|1,0,0]=3 22772 B14R1.427 NC(=O)CCSCCCN1CCCC1 62a_100000744528_100011445909 [0,1,0,1,0,0|2,0,0]=4 22773 B14R1.427 NC(=O)CCSCCCN1CCCC1 62a_100016991639_100000744528 [0,1,0,1,0,0|2,0,0]=4 22774 B14R1.427 NC(=O)CNCCCOC1CCCC1 34a_100000747560_100000187820 [0,1,0,1,0,0|2,0,0]=4 22775 B14R1.427 NC(=O)COCCNCC1CCCC1 2230a_100000737975_100000076697 [0,1,0,1,0,0|2,0,0]=4 22776 B14R1.427 NC(=O)COCCNCC1CCCC1 34a_100000737975_100000076697 [0,1,0,1,0,0|2,0,0]=4 22777 B14R1.427 NC(=O)COCCOCC1CCCC1 34a_100000742336_100000076697 [0,1,0,1,0,0|2,0,0]=4 22778 B14R1.427 NC(=O)COCCOCC1CCCC1 7a_100000742336_100000076697 [0,1,0,1,0,0|2,0,0]=4 22779 B14R1.427 NC(=O)COCCSCC1CCCC1 62a_100000076697_100000740388 [0,1,0,1,0,0|2,0,0]=4 22780 B14R1.427 NC(=O)COCCSCC1CCCC1 62a_100000740388_100000076697 [0,1,0,1,0,0|2,0,0]=4 22781 B14R1.427 NC(=O)NCCNCCC1CCCC1 2230a_100000739158_200000034859 [0,1,0,1,0,0|2,0,0]=4 22782 B14R1.427 NC(=O)NCCNCCC1CCCC1 34a_100020590234_100000760354 [0,1,0,1,0,0|2,0,0]=4 22783 B14R1.427 NC(=O)NCCOCCC1CCCC1 34a_100000181757_100000760354 [0,1,0,1,0,0|2,0,0]=4 22784 B14R1.427 NC(=O)NCCOCCC1CCCC1 7a_100000749090_200000034859 [0,1,0,1,0,0|2,0,0]=4 22785 B14R1.427 NC(=O)NCCSCCC1CCCC1 62a_100000760354_200000034859 [0,1,0,1,0,0|2,0,0]=4 22786 B14R1.427 NC(=O)NCCSCCC1CCCC1 62a_200000034859_100000760354 [0,1,0,1,0,0|2,0,0]=4 22787 B14R1.427 NC(=O)OCCNCCC1CCCC1 34a_100000739158_200011214921 [0,1,0,1,0,0|2,0,0]=4 22788 B14R1.427 NC(=O)OCCOCCC1CCCC1 34a_100000749090_200011214921 [0,1,0,1,0,0|2,0,0]=4 22789 B14R1.427 NC(=O)OCCOCCC1CCCC1 7a_100000749090_200011214921 [0,1,0,1,0,0|2,0,0]=4 22790 B14R1.427 NC(=O)OCCOCCC1CCCC1 7a_100000766696_100000760354 [0,1,0,1,0,0|2,0,0]=4 22791 B14R1.427 NC(=O)OCCSCCC1CCCC1 62a_100000760354_200011214921 [0,1,0,1,0,0|2,0,0]=4 22792 B14R1.427 NC(=O)OCCSCCC1CCCC1 62a_200011214921_100000760354 [0,1,0,1,0,0|2,0,0]=4 22793 B14R1.427 O=C(O)COCCNCC1CCCC1 269956a_100000700818_100000740388 [0,1,0,1,0,0|2,0,0]=4 22794 B14R1.427 O=C(O)CONCCCC1CCCC1 269956a_100000106656_100011713738 [0,1,0,1,0,0|2,0,0]=4 22795 B14R1.427 O=C([O-])CCCCCOC1CCCC1 7a_100102619762_100000179811 [0,1,0,1,0,0|1,0,0]=3 22796 B14R1.427 O=C([O-])CCCCCOC1CCOC1 7a_100102619762_100000731011 [0,1,0,1,0,0|2,0,0]=4 22797 B14R1.427 O=C([O-])CNCCCOC1CCCC1 34a_100000747560_100020667443 [0,1,0,1,0,0|2,0,0]=4 22798 B14R1.427 O=[N+]([O-])CCCCOCC1CCCC1 34a_200015379883_100000740388 [0,1,0,1,0,0|2,0,0]=4 22799 B14R1.427 O=[N+]([O-])CCCCOCC1CCCC1 7a_200015379883_100000740388 [0,1,0,1,0,0|2,0,0]=4 22800 B14R1.427 O=[N+]([O-])CCCOCCC1CCCC1 34a_200000037920_100000760354 [0,1,0,1,0,0|2,0,0]=4 22801 B14R1.482 C=C(C)CCN1CCCCC1CCC 2230a_100000701414_100000730704 [0,1,0,1,0,0|2,0,0]=4 22802 B14R1.482 C=C(C)CCN1CCCCC1CCC 269982a_100000701414_100000730704 [0,1,0,1,0,0|2,0,0]=4 22803 B14R1.482 C=C(C)CCN1CCCCC1CCC 34a_100000701414_100000730704 [0,1,0,1,0,0|2,0,0]=4 22804 B14R1.482 C=C(C)COC1CCCCC1CCC 34a_100011217265_100000748629 [0,1,0,1,0,0|2,0,0]=4 22805 B14R1.482 C=C(C)COC1CCCCC1CCC 7a_100011217265_100000748629 [0,1,0,1,0,0|2,0,0]=4 22806 B14R1.482 C=C(F)COC1CCCCC1CCC 34a_100011217265_100009893438 [0,1,0,1,0,0|2,0,0]=4 22807 B14R1.482 C=C(F)COC1CCCCC1CCC 7a_100011217265_100000042424 [0,1,0,1,0,0|2,0,0]=4 22808 B14R1.482 C=CCC1CCCCC1NCC(C)C 269862a_100000210953_100011214939 [0,1,0,1,0,0|2,0,0]=4 22809 B14R1.482 C=CCC1CCCCC1NCC(C)C 270004a_100000210953_100011214939 [0,1,0,1,0,0|2,0,0]=4 22810 B14R1.482 C=CCC1CCCCC1NCC(C)O 269862a_100000210904_100011214939 [0,1,0,1,0,0|2,0,0]=4 22811 B14R1.482 C=CCC1CCCCC1NCC(C)O 270004a_100000210904_100011214939 [0,1,0,1,0,0|2,0,0]=4 22812 B14R1.482 CC(=O)CCN1CCCCC1CCO 269982a_100000211664_100000053229 [0,1,0,1,0,0|2,0,0]=4 22813 B14R1.482 CCCC1CCCCC1OCC(=O)N 34a_100011217265_100000187820 [0,1,0,1,0,0|1,0,0]=3 22814 B14R1.482 CCCC1CCCCC1OCC(=O)N 7a_100011217265_100000187820 [0,1,0,1,0,0|1,0,0]=3 22815 B14R1.482 CCCC1CCCCC1OCC(=O)[O-] 34a_100011217265_100020667443 [0,1,0,1,0,0|1,0,0]=3 22816 B14R1.482 CCCC1CCCCC1OC[N+](=O)[O-] 34a_100011217265_100000761209 [0,1,0,1,0,0|2,0,0]=4 22817 B14R1.482 CCCC1CCCCN1CCC(=O)C 269982a_100000701414_100000053229 [0,1,0,1,0,0|1,0,0]=3 22818 B14R1.482 CCCC1CCCCN1CCC(=O)N 2230a_100000701414_100000744528 [0,1,0,1,0,0|1,0,0]=3 22819 B14R1.482 CCCC1CCCCN1CCC(=O)N 269982a_100000701414_100000744528 [0,1,0,1,0,0|1,0,0]=3 22820 B14R1.482 CCCC1CCCCN1CCC(=O)N 34a_100000701414_100000731001 [0,1,0,1,0,0|1,0,0]=3 22821 B14R1.482 CCCC1CCCCN1COC(=O)C 269982a_100000701414_100000076356 [0,1,0,1,0,0|2,0,0]=4 22822 B14R1.482 CCCC1CCCCN1COC(=O)C 34a_100000701414_100009813279 [0,1,0,1,0,0|2,0,0]=4 22823 B14R1.482 CCCC1COCCN1CCC(=O)C 269982a_102495339903_100000053229 [0,1,0,1,0,0|2,0,0]=4 22824 B14R1.482 CCCC1COCCN1CCC(=O)N 2230a_102495339903_100000744528 [0,1,0,1,0,0|2,0,0]=4 22825 B14R1.482 CCCC1COCCN1CCC(=O)N 269982a_102495339903_100000744528 [0,1,0,1,0,0|2,0,0]=4 22826 B14R1.482 CCCC1COCCN1CCC(=O)N 34a_102495339903_100000731001 [0,1,0,1,0,0|2,0,0]=4 22827 B14R1.482 CCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210207 [0,1,0,1,0,0|1,0,0]=3 22828 B14R1.482 CN(C)CCC1CCCCN1CC=O 269982a_100000243220_200015260668 [0,1,0,1,0,0|2,0,0]=4 22829 B14R1.482 COCC1CCCCN1CCC(=O)C 269982a_100015184032_100000053229 [0,1,0,1,0,0|2,0,0]=4 22830 B14R1.482 COCC1CCCCN1CCC(=O)N 2230a_100015184032_100000744528 [0,1,0,1,0,0|2,0,0]=4 22831 B14R1.482 COCC1CCCCN1CCC(=O)N 269982a_100015184032_100000744528 [0,1,0,1,0,0|2,0,0]=4 22832 B14R1.482 COCC1CCCCN1CCC(=O)N 34a_100015184032_100000731001 [0,1,0,1,0,0|2,0,0]=4 22833 B14R1.482 COCN1CCCCC1CCC(=O)O 269956a_100000694054_100000766300 [0,1,0,1,0,0|2,0,0]=4 22834 B14R1.482 CSCN1CCCCC1CCC(=O)O 269956a_100000694054_100011218213 [0,1,0,1,0,0|2,0,0]=4 22835 B14R1.482 NC(=O)CCN1CCCCC1CCO 2230a_100000211664_100000744528 [0,1,0,1,0,0|2,0,0]=4 22836 B14R1.482 NC(=O)CCN1CCCCC1CCO 269982a_100000211664_100000744528 [0,1,0,1,0,0|2,0,0]=4 22837 B14R1.482 NC(=O)CCN1CCCCC1CCO 34a_100000211664_100000731001 [0,1,0,1,0,0|2,0,0]=4 22838 B14R1.482 O=C(O)CCC1CCCCN1CCF 269956a_100000694054_100011217306 [0,1,0,1,0,0|2,0,0]=4 22839 B14R1.482 O=C(O)CCC1CCCCN1CCO 269956a_100000694054_100000211926 [0,1,0,1,0,0|2,0,0]=4 22840 B14R1.498 CCCC1CCCC1NCCC(=O)N 269862a_100000740010_100000723119 [0,1,0,1,0,0|1,0,0]=3 22841 B14R1.498 CCCN1CCCC1COCC(=O)N 34a_200000694710_100000187820 [0,1,0,1,0,0|2,0,0]=4 22842 B14R1.498 CCCN1CCCC1COCC(=O)N 7a_200000694710_100000187820 [0,1,0,1,0,0|2,0,0]=4 22843 B14R1.498 CCCN1CCCC1COCC(=O)[O-] 34a_200000694710_100020667443 [0,1,0,1,0,0|2,0,0]=4 22844 B14R1.498 COC[C@@H]1CCCN1CCCC(=O)C 269982a_100020646714_100011215641 [0,1,0,1,0,0|2,0,0]=4 22845 B14R1.498 COC[C@@H]1CCCN1CCCC(=O)C 34a_100020646714_100000685027 [0,1,0,1,0,0|2,0,0]=4 22846 B14R1.498 COC[C@@H]1CCCN1CCCC(=O)N 269982a_100020646714_100102525003 [0,1,0,1,0,0|2,0,0]=4 22847 B14R1.498 COC[C@@H]1CCCN1CCCC(=O)N 34a_100020646714_100102525003 [0,1,0,1,0,0|2,0,0]=4 22848 B14R1.651 C=CCCN1CCCCCC1C(C)C 2230a_100000697956_100000754431 [0,1,0,1,0,0|2,0,0]=4 22849 B14R1.651 C=CCCN1CCCCCC1C(C)C 269982a_100000697956_100000754431 [0,1,0,1,0,0|2,0,0]=4 22850 B14R1.651 C=CCCN1CCCCCC1C(C)C 34a_100000697956_100000754431 [0,1,0,1,0,0|2,0,0]=4 22851 B14R1.651 CCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210211 [0,1,0,1,0,0|1,0,0]=3 22852 B14R1.651 CCOCN1CCCCCC1C(=O)O 269956a_100000758484_100000739092 [0,1,0,1,0,0|2,0,0]=4 22853 B14R1.651 COCCN1CCCCCC1C(=O)O 269956a_100000758484_100000233755 [0,1,0,1,0,0|2,0,0]=4 22854 B14R1.651 CSCCN1CCCCCC1C(=O)O 269956a_100000758484_100000212216 [0,1,0,1,0,0|2,0,0]=4 22855 B14R1.651 O=C(O)C1CCCCCN1CCCF 269956a_100000758484_100011934791 [0,1,0,1,0,0|2,0,0]=4 22856 B14R1.651 O=C(O)C1CCCCCN1CCCO 269956a_100000758484_100011215043 [0,1,0,1,0,0|2,0,0]=4 22857 B14R1.786 CC(C)NC1CCCCC1OCC=O 34a_100000692356_200009817547 [0,1,0,1,0,0|2,0,0]=4 22858 B14R1.786 CCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210211 [0,1,0,1,0,0|1,0,0]=3 22859 B14R1.786 CCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210211 [0,1,0,1,0,0|1,0,0]=3 22860 B14R1.786 CCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210210 [0,1,0,1,0,0|1,0,0]=3 22861 B14R1.786 CCOCN1CCCCC1CC(=O)N 269982a_100015184752_100000739092 [0,1,0,1,0,0|2,0,0]=4 22862 B14R1.786 COCCC1CCCCN1CC(=O)N 2230a_100015186528_100000747473 [0,1,0,1,0,0|2,0,0]=4 22863 B14R1.786 COCCC1CCCCN1CC(=O)N 269982a_100015186528_100000187820 [0,1,0,1,0,0|2,0,0]=4 22864 B14R1.786 COCCC1CCCCN1CC(=O)N 34a_100015186528_100000187820 [0,1,0,1,0,0|2,0,0]=4 22865 B14R1.786 COCCC1CCCCN1CC(=O)[O-] 269982a_100015186528_100020667443 [0,1,0,1,0,0|2,0,0]=4 22866 B14R1.786 COCCC1CCCCN1CC(=O)[O-] 34a_100015186528_100020667443 [0,1,0,1,0,0|2,0,0]=4 22867 B14R1.786 COCCN1CCCCC1CC(=O)N 2230a_100015184752_100011201679 [0,1,0,1,0,0|2,0,0]=4 22868 B14R1.786 COCCN1CCCCC1CC(=O)N 269982a_100015184752_100000233755 [0,1,0,1,0,0|2,0,0]=4 22869 B14R1.786 COCCN1CCCCC1CC(=O)N 34a_100015184752_100011201679 [0,1,0,1,0,0|2,0,0]=4 22870 B14R1.786 CSCCN1CCCCC1CC(=O)N 2230a_100015184752_100000751147 [0,1,0,1,0,0|2,0,0]=4 22871 B14R1.786 CSCCN1CCCCC1CC(=O)N 269982a_100015184752_100000212216 [0,1,0,1,0,0|2,0,0]=4 22872 B14R1.786 CSCCN1CCCCC1CC(=O)N 34a_100015184752_100000212216 [0,1,0,1,0,0|2,0,0]=4 22873 B14R1.786 NC(=O)CC1CCCCN1CCCF 2230a_100015184752_100011934791 [0,1,0,1,0,0|2,0,0]=4 22874 B14R1.786 NC(=O)CC1CCCCN1CCCF 269982a_100015184752_100011934791 [0,1,0,1,0,0|2,0,0]=4 22875 B14R1.786 NC(=O)CC1CCCCN1CCCF 34a_100015184752_100011934791 [0,1,0,1,0,0|2,0,0]=4 22876 B14R1.786 NC(=O)CC1CCCCN1CCCO 2230a_100015184752_100000230001 [0,1,0,1,0,0|2,0,0]=4 22877 B14R1.786 NC(=O)CC1CCCCN1CCCO 269982a_100015184752_100011215043 [0,1,0,1,0,0|2,0,0]=4 22878 B14R1.786 NC(=O)CC1CCCCN1CCCO 34a_100015184752_100000230001 [0,1,0,1,0,0|2,0,0]=4 22879 B14R1.786 NC(=O)CN1CCCCC1CCCO 2230a_100011934581_100000747473 [0,1,0,1,0,0|2,0,0]=4 22880 B14R1.786 NC(=O)CN1CCCCC1CCCO 269982a_100011934581_100000187820 [0,1,0,1,0,0|2,0,0]=4 22881 B14R1.786 NC(=O)CN1CCCCC1CCCO 34a_100011934581_100000187820 [0,1,0,1,0,0|2,0,0]=4 22882 B14R1.786 O=C([O-])CN1CCCCC1CCCO 269982a_100011934581_100020667443 [0,1,0,1,0,0|2,0,0]=4 22883 B14R1.786 O=C([O-])CN1CCCCC1CCCO 34a_100011934581_100020667443 [0,1,0,1,0,0|2,0,0]=4 22884 B14R1.890 C#CCCCCCCOCC1CC1C 34a_100000744939_100012276617 [0,1,0,1,0,0|1,0,1]=4 22885 B14R1.890 C#CCCCCCCOCC1CC1C 7a_100000744939_100012276617 [0,1,0,1,0,0|1,0,1]=4 22886 B14R1.890 C=CCCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100012355270 [0,1,0,1,0,0|2,0,0]=4 22887 B14R1.890 C=CCCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100012355270 [0,1,0,1,0,0|2,0,0]=4 22888 B14R1.890 C=CCCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100012355270 [0,1,0,1,0,0|2,0,0]=4 22889 B14R1.890 C=CCCCCCCOCC1CC1C 34a_100000744939_100011215473 [0,1,0,1,0,0|1,0,0]=3 22890 B14R1.890 C=CCCCCCCOCC1CC1C 7a_100000744939_100011215473 [0,1,0,1,0,0|1,0,0]=3 22891 B14R1.890 CC1CC1COCCCCCCC#N 7a_100000744939_100009813337 [0,1,0,1,0,0|1,0,1]=4 22892 B14R1.890 CC1CC1COCCCCCCCO 34a_100000744939_100000760002 [0,1,0,1,0,0|0,0,2]=4 22893 B14R1.890 CC1CC1COCCCCCCCO 7a_100000744939_100000760002 [0,1,0,1,0,0|0,0,2]=4 22894 B14R1.890 CCCCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011214924 [0,1,0,1,0,0|1,0,1]=4 22895 B14R1.890 CCCCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011214924 [0,1,0,1,0,0|1,0,1]=4 22896 B14R1.890 CCCCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011214924 [0,1,0,1,0,0|1,0,1]=4 22897 B14R1.890 CCCCCCCCOCC1CC1C 34a_100000744939_100000210759 [0,1,0,1,0,0|1,0,1]=4 22898 B14R1.890 CCCCCCCCOCC1CC1C 7a_100000744939_100000210759 [0,1,0,1,0,0|1,0,1]=4 22899 B14R1.890 COCCCCCCOCC1CC1C 34a_100000744939_100011998445 [0,1,0,1,0,0|2,0,0]=4 22900 B14R1.890 COCCCCCCOCC1CC1C 7a_100000744939_100011998445 [0,1,0,1,0,0|2,0,0]=4 22901 B14R1.903 C=CCCCN1CCCCC1C(C)C 2230a_100000757267_100011713584 [0,1,0,1,0,0|2,0,0]=4 22902 B14R1.903 C=CCCCN1CCCCC1C(C)C 269982a_100000757267_100000757094 [0,1,0,1,0,0|2,0,0]=4 22903 B14R1.903 C=CCCCN1CCCCC1C(C)C 34a_100000757267_100000757094 [0,1,0,1,0,0|2,0,0]=4 22904 B14R1.903 C=CCCOC1CCCCC1C(C)C 34a_100011709184_100000754431 [0,1,0,1,0,0|2,0,0]=4 22905 B14R1.903 C=CCCOC1CCCCC1C(C)C 7a_100011709184_100000754431 [0,1,0,1,0,0|2,0,0]=4 22906 B14R1.903 CC(C)C1CCCCN1CCCC=O 2230a_100000757267_200011292268 [0,1,0,1,0,0|1,0,0]=3 22907 B14R1.903 CC(C)C1CCCCN1CCCC=O 269982a_100000757267_200011292268 [0,1,0,1,0,0|1,0,0]=3 22908 B14R1.903 CC(C)[C@H]1COCCN1CCCC=O 2230a_100025712635_200011292268 [0,1,0,1,0,0|2,0,0]=4 22909 B14R1.903 CC(C)[C@H]1COCCN1CCCC=O 269982a_100025712635_200011292268 [0,1,0,1,0,0|2,0,0]=4 22910 B14R1.903 CCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210326 [0,1,0,1,0,0|1,0,0]=3 22911 B14R1.903 CCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210215 [0,1,0,1,0,0|1,0,0]=3 22912 B14R1.903 CCCCCN1CCCCC1C(=O)N 34a_100000181395_100000718602 [0,1,0,1,0,0|1,0,0]=3 22913 B14R1.903 CCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210326 [0,1,0,1,0,0|1,0,0]=3 22914 B14R1.903 CCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210326 [0,1,0,1,0,0|2,0,0]=4 22915 B14R1.903 CCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210326 [0,1,0,1,0,0|2,0,0]=4 22916 B14R1.903 CCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210326 [0,1,0,1,0,0|2,0,0]=4 22917 B14R1.903 CCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210211 [0,1,0,1,0,0|1,0,0]=3 22918 B14R1.903 CCOCCN1CCCCC1C(=O)N 2230a_100000181395_100011215890 [0,1,0,1,0,0|2,0,0]=4 22919 B14R1.903 CCOCCN1CCCCC1C(=O)N 269982a_100000181395_100011215890 [0,1,0,1,0,0|2,0,0]=4 22920 B14R1.903 CCOCCN1CCCCC1C(=O)N 34a_100000181395_100000210147 [0,1,0,1,0,0|2,0,0]=4 22921 B14R1.903 CCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210147 [0,1,0,1,0,0|2,0,0]=4 22922 B14R1.903 CCOCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000739092 [0,1,0,1,0,0|2,0,0]=4 22923 B14R1.903 CCSCCN1CCCCC1C(=O)N 2230a_100000181395_100000757381 [0,1,0,1,0,0|2,0,0]=4 22924 B14R1.903 CCSCCN1CCCCC1C(=O)N 269982a_100000181395_100000757381 [0,1,0,1,0,0|2,0,0]=4 22925 B14R1.903 CCSCCN1CCCCC1C(=O)N 34a_100000181395_100000757381 [0,1,0,1,0,0|2,0,0]=4 22926 B14R1.903 CCSCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000757381 [0,1,0,1,0,0|2,0,0]=4 22927 B14R1.903 COCCCC1CCCCN1C(=O)C 11a_100011804088_100015343762 [0,1,0,1,0,0|2,0,0]=4 22928 B14R1.903 COCCCC1CCCCN1C(=O)C 1626a_100011804088_100015343762 [0,1,0,1,0,0|2,0,0]=4 22929 B14R1.903 COCCCC1CCCCN1C(=O)C 240690a_100011804088_100015343762 [0,1,0,1,0,0|2,0,0]=4 22930 B14R1.903 COCCCC1CCCCN1C(=O)C 527a_100011804088_100103153847 [0,1,0,1,0,0|2,0,0]=4 22931 B14R1.903 COCCCN1CCCCC1C(=O)N 2230a_100000181395_100000740836 [0,1,0,1,0,0|2,0,0]=4 22932 B14R1.903 COCCCN1CCCCC1C(=O)N 269982a_100000181395_100000740836 [0,1,0,1,0,0|2,0,0]=4 22933 B14R1.903 COCCCN1CCCCC1C(=O)N 34a_100000181395_100000740836 [0,1,0,1,0,0|2,0,0]=4 22934 B14R1.903 COCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000740836 [0,1,0,1,0,0|2,0,0]=4 22935 B14R1.903 COCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000233755 [0,1,0,1,0,0|2,0,0]=4 22936 B14R1.903 CSCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000212216 [0,1,0,1,0,0|2,0,0]=4 22937 B14R1.903 NC(=O)C1CCCCN1CCCCF 2230a_100000181395_100000729493 [0,1,0,1,0,0|2,0,0]=4 22938 B14R1.903 NC(=O)C1CCCCN1CCCCF 269982a_100000181395_100000729493 [0,1,0,1,0,0|2,0,0]=4 22939 B14R1.903 NC(=O)C1CCCCN1CCCCF 34a_100000181395_100000729493 [0,1,0,1,0,0|2,0,0]=4 22940 B14R1.903 NC(=O)C1CCCCN1CCCCO 2230a_100000181395_100000210776 [0,1,0,1,0,0|2,0,0]=4 22941 B14R1.903 NC(=O)C1CCCCN1CCCCO 269982a_100000181395_100000210776 [0,1,0,1,0,0|2,0,0]=4 22942 B14R1.903 NC(=O)C1CCCCN1CCCCO 34a_100000181395_100011216708 [0,1,0,1,0,0|2,0,0]=4 22943 B14R1.903 O=C(O)[C@@H]1CCCC[C@H]1NCCCF 269956a_100009816435_100011934791 [0,1,0,1,0,0|2,0,0]=4 22944 B14R1.903 O=C(O)[C@@H]1CCCC[C@H]1NCCCO 269956a_100009816435_100011215043 [0,1,0,1,0,0|2,0,0]=4 22945 B14R1.903 O=C(O)[C@H]1CCCCN1CCCCF 269956a_100000763471_100000729493 [0,1,0,1,0,0|2,0,0]=4 22946 B14R1.903 O=C(O)[C@H]1CCCCN1CCCCO 269956a_100000763471_100000210776 [0,1,0,1,0,0|2,0,0]=4 22947 B14R1.910 C=CCCCN1CCCC1CC(C)C 2230a_100000748429_100011713584 [0,1,0,1,0,0|2,0,0]=4 22948 B14R1.910 C=CCCCN1CCCC1CC(C)C 269982a_100000748429_100000757094 [0,1,0,1,0,0|2,0,0]=4 22949 B14R1.910 C=CCCCN1CCCC1CC(C)C 34a_100000748429_100000757094 [0,1,0,1,0,0|2,0,0]=4 22950 B14R1.910 CC(C)CC1CCCN1CCCC=O 2230a_100000748429_200011292268 [0,1,0,1,0,0|1,0,0]=3 22951 B14R1.910 CC(C)CC1CCCN1CCCC=O 269982a_100000748429_200011292268 [0,1,0,1,0,0|1,0,0]=3 22952 B14R1.910 CN(C)C[C@H]1CCCN1CCCC=O 269982a_200020645772_200011292268 [0,1,0,1,0,0|2,0,0]=4 22953 B14R1.1252 C=CCCCCN1CCCCC(C1)O 2230a_100025706797_100011215482 [0,1,0,1,0,0|2,0,0]=4 22954 B14R1.1252 C=CCCCCN1CCCCC(C1)O 269982a_100025706797_100011215482 [0,1,0,1,0,0|2,0,0]=4 22955 B14R1.1252 CCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210314 [0,1,0,1,0,0|2,0,0]=4 22956 B14R1.1252 O=CCCCCN1CCCCC(C1)O 2230a_100025706797_100000139335 [0,1,0,1,0,0|1,0,0]=3 22957 B14R1.1252 O=CCCCCN1CCCCC(C1)O 269982a_100025706797_100000139335 [0,1,0,1,0,0|1,0,0]=3 22958 B14R1.1252 O=CCCCCN1CCOC[C@@H](C1)O 2230a_100016073750_100000139335 [0,1,0,1,0,0|2,0,0]=4 22959 B14R1.1252 O=CCCCCN1CCOC[C@@H](C1)O 269982a_100016073750_100000139335 [0,1,0,1,0,0|2,0,0]=4 22960 B14R1.1275 C=CCCCCCOCC1CC1(C)C 34a_100000728257_100000700193 [0,1,0,1,0,0|2,0,0]=4 22961 B14R1.1275 C=CCCCCCOCC1CC1(C)C 7a_100000728257_100000700193 [0,1,0,1,0,0|2,0,0]=4 22962 B14R1.1275 CC1(CC1COCCCCCC=O)C 7a_100000728257_100000139337 [0,1,0,1,0,0|1,0,0]=3 22963 B14R1.1275 CC1(OC1COCCCCCC=O)C 7a_200010283642_100000139337 [0,1,0,1,0,0|2,0,0]=4 22964 B14R1.1275 O=CCCCCCOCC1CC1(F)F 7a_100000056500_100000139337 [0,1,0,1,0,0|2,0,0]=4 22965 B14R1.1275 O=CCCCCCSCC1CC1(F)F 62a_100000139337_100009817841 [0,1,0,1,0,0|2,0,0]=4 22966 B14R1.1275 O=CCCCCCSCC1CC1(F)F 62a_100009817841_100000139337 [0,1,0,1,0,0|2,0,0]=4 22967 B14R1.1275 O=CCCCCOCCC1CC1(F)F 7a_100009864177_100000139335 [0,1,0,1,0,0|2,0,0]=4 22968 B14R1.1454 C=C(C)CCNC1CCCCCCC1 2230a_100000211152_100000730704 [0,1,0,1,0,0|2,0,0]=4 22969 B14R1.1454 C=C(C)CCNC1CCCCCCC1 34a_100000211152_100000730704 [0,1,0,1,0,0|2,0,0]=4 22970 B14R1.1454 C=C(C)CCOC1CCCCCCC1 34a_100000210054_100000730704 [0,1,0,1,0,0|2,0,0]=4 22971 B14R1.1454 C=C(C)CCOC1CCCCCCC1 7a_100000210054_100000730704 [0,1,0,1,0,0|2,0,0]=4 22972 B14R1.1454 C=C(C)COCC1CCCCCCC1 34a_100011216312_100000748629 [0,1,0,1,0,0|2,0,0]=4 22973 B14R1.1454 C=C(C)COCC1CCCCCCC1 7a_100011216312_100000748629 [0,1,0,1,0,0|2,0,0]=4 22974 B14R1.1454 C=C(F)COCC1CCCCCCC1 34a_100011216312_100009893438 [0,1,0,1,0,0|2,0,0]=4 22975 B14R1.1454 C=C(F)COCC1CCCCCCC1 7a_100011216312_100000042424 [0,1,0,1,0,0|2,0,0]=4 22976 B14R1.1454 CC(=O)CCCN1CCCCCCC1 269982a_100000211400_100011215641 [0,1,0,1,0,0|1,0,0]=3 22977 B14R1.1454 CC(=O)CCCN1CCCCCCC1 34a_100000211400_100000685027 [0,1,0,1,0,0|1,0,0]=3 22978 B14R1.1454 CC(=O)CCOC1CCCCCCC1 7a_100000210054_100000053229 [0,1,0,1,0,0|1,0,0]=3 22979 B14R1.1454 CC(=O)NCCC1CCCCCCC1 11a_100011532352_100015343762 [0,1,0,1,0,0|1,0,0]=3 22980 B14R1.1454 CC(=O)NCCC1CCCCCCC1 1626a_100011532352_100015343762 [0,1,0,1,0,0|1,0,0]=3 22981 B14R1.1454 CC(=O)NCCC1CCCCCCC1 240690a_100011532352_100015343762 [0,1,0,1,0,0|1,0,0]=3 22982 B14R1.1454 CC(=O)NCCC1CCCCCCC1 527a_100011532352_100103153847 [0,1,0,1,0,0|1,0,0]=3 22983 B14R1.1454 CC(=O)NCCN1CCCCCCC1 2230a_100000211400_100000189650 [0,1,0,1,0,0|2,0,0]=4 22984 B14R1.1454 CC(=O)NCCN1CCCCCCC1 269982a_100000211400_100000189650 [0,1,0,1,0,0|2,0,0]=4 22985 B14R1.1454 CC(=O)OCCN1CCCCCCC1 269982a_100000211400_100009814007 [0,1,0,1,0,0|2,0,0]=4 22986 B14R1.1454 CC(=O)OCCN1CCCCCCC1 34a_100000211400_100009814007 [0,1,0,1,0,0|2,0,0]=4 22987 B14R1.1454 CC(=O)OCNC1CCCCCCC1 34a_100000211152_100009813279 [0,1,0,1,0,0|2,0,0]=4 22988 B14R1.1454 CC(=O)OCOC1CCCCCCC1 34a_100000210054_100009813279 [0,1,0,1,0,0|2,0,0]=4 22989 B14R1.1454 CC(C)CCOC1C=CCCCCC1 34a_100000688657_100000210312 [0,1,0,1,0,0|2,0,0]=4 22990 B14R1.1454 CC(O)CCOC1C=CCCCCC1 34a_100000688657_100012276601 [0,1,0,1,0,0|2,0,0]=4 22991 B14R1.1454 NC(=O)CCCN1CCCCCCC1 269982a_100000211400_100102525003 [0,1,0,1,0,0|1,0,0]=3 22992 B14R1.1454 NC(=O)CCCN1CCCCCCC1 34a_100000211400_100102525003 [0,1,0,1,0,0|1,0,0]=3 22993 B14R1.1454 NC(=O)CCNC1CCCCCCC1 2230a_100000211152_100000744528 [0,1,0,1,0,0|1,0,0]=3 22994 B14R1.1454 NC(=O)CCNC1CCCCCCC1 34a_100000211152_100000731001 [0,1,0,1,0,0|1,0,0]=3 22995 B14R1.1454 NC(=O)CCOC1CCCCCCC1 34a_100000210054_100000731001 [0,1,0,1,0,0|1,0,0]=3 22996 B14R1.1454 NC(=O)CCOC1CCCCCCC1 7a_100000210054_100000744528 [0,1,0,1,0,0|1,0,0]=3 22997 B14R1.1454 NC(=O)COCC1CCCCCCC1 34a_100011216312_100000187820 [0,1,0,1,0,0|1,0,0]=3 22998 B14R1.1454 NC(=O)COCC1CCCCCCC1 7a_100011216312_100000187820 [0,1,0,1,0,0|1,0,0]=3 22999 B14R1.1454 NC(=O)NCCN1CCCCCCC1 2230a_100000211400_200000034859 [0,1,0,1,0,0|2,0,0]=4 23000 B14R1.1454 NC(=O)NCCN1CCCCCCC1 269982a_100000211400_200000034859 [0,1,0,1,0,0|2,0,0]=4 23001 B14R1.1454 NC(=O)OCCN1CCCCCCC1 269982a_100000211400_200011214921 [0,1,0,1,0,0|2,0,0]=4 23002 B14R1.1454 NC(=O)OCCN1CCCCCCC1 34a_100000211400_200011214921 [0,1,0,1,0,0|2,0,0]=4 23003 B14R1.1454 O=C([O-])COCC1CCCCCCC1 34a_100011216312_100020667443 [0,1,0,1,0,0|1,0,0]=3 23004 B14R1.1454 O=[N+]([O-])COCC1CCCCCCC1 34a_100011216312_100000761209 [0,1,0,1,0,0|2,0,0]=4 23005 B14R1.3129 C=CCCCCCN1CCCC1(C)C 2230a_100000761399_100000700193 [0,1,0,1,0,0|2,0,0]=4 23006 B14R1.3129 C=CCCCCCN1CCCC1(C)C 269982a_100000761399_100000700193 [0,1,0,1,0,0|2,0,0]=4 23007 B14R1.3129 C=CCCCCCN1CCCC1(C)C 34a_100000761399_100000700193 [0,1,0,1,0,0|2,0,0]=4 23008 B14R1.3129 C=CCCCCNC1CCCC1(C)C 269862a_100000703577_100000065263 [0,1,0,1,0,0|2,0,0]=4 23009 B14R1.3129 C=CCCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100011215482 [0,1,0,1,0,0|2,0,0]=4 23010 B14R1.3129 C=CCCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100011215482 [0,1,0,1,0,0|2,0,0]=4 23011 B14R1.3129 C=CCCCCOC1CCCC1(C)C 34a_100000726220_100011215482 [0,1,0,1,0,0|2,0,0]=4 23012 B14R1.3129 C=CCCCCOC1CCCC1(C)C 7a_100000726220_100011215482 [0,1,0,1,0,0|2,0,0]=4 23013 B14R1.3129 CC1(CCCC1OCCCCC=O)C 7a_100000726220_100000139335 [0,1,0,1,0,0|1,0,0]=3 23014 B14R1.3129 CC1(CCCN1CCCCCC=O)C 2230a_100000761399_100000139337 [0,1,0,1,0,0|1,0,0]=3 23015 B14R1.3129 CC1(CCCN1CCCCCC=O)C 269982a_100000761399_100000139337 [0,1,0,1,0,0|1,0,0]=3 23016 B14R1.3129 CC1(COCN1CCCCCC=O)C 2230a_100000043020_100000139337 [0,1,0,1,0,0|2,0,0]=4 23017 B14R1.3129 CC1(COCN1CCCCCC=O)C 269982a_100000043020_100000139337 [0,1,0,1,0,0|2,0,0]=4 23018 B14R1.3129 CC1(SCCN1CCCCCC=O)C 2230a_100011217261_100000139337 [0,1,0,1,0,0|2,0,0]=4 23019 B14R1.3129 CC1(SCCN1CCCCCC=O)C 269982a_100011217261_100000139337 [0,1,0,1,0,0|2,0,0]=4 23020 B14R1.3129 C[C@]1(CCC[C@H]1NCCCCC=O)O 2230a_100015977457_100000139335 [0,1,0,1,0,0|1,0,0]=3 23021 B14R1.3129 O=CCCCCNC1CCCC1(F)F 2230a_100000767123_100000139335 [0,1,0,1,0,0|2,0,0]=4 23022 B14R1.3129 O=CCCCCSC1CCCC1(F)F 62a_100000139335_100119073726 [0,1,0,1,0,0|2,0,0]=4 23023 B14R1.3129 O=CCCCCSC1CCCC1(F)F 62a_100119073726_100000139335 [0,1,0,1,0,0|2,0,0]=4 23024 B14R1.3447 CCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210614 [0,1,0,1,0,0|1,0,0]=3 23025 B14R1.3447 CCCCOCCN1CCC1C(=O)O 269956a_100000021838_100000743108 [0,1,0,1,0,0|2,0,0]=4 23026 B14R1.3447 O=C(O)C1CCN1CCCCCCF 269956a_100000021838_100015922095 [0,1,0,1,0,0|2,0,0]=4 23027 B14R1.3447 O=C(O)C1CCN1CCCCCCO 269956a_100000021838_100000766143 [0,1,0,1,0,0|2,0,0]=4 23028 B14R1.4521 CC(=O)CCCCOCCC1COC1 34a_100009855314_100009817362 [0,1,0,1,0,0|2,0,0]=4 23029 B14R1.4521 CC(=O)NCCCCCNC1CCC1 270004a_200012022750_100000241760 [0,1,0,1,0,0|2,0,0]=4 23030 B14R1.4521 CC(=O)NCCCCCNC1CCC1 34a_200012022750_100000749161 [0,1,0,1,0,0|2,0,0]=4 23031 B14R1.4521 CC(=O)NCCCCNCC1CCC1 2230a_200011368371_100000763275 [0,1,0,1,0,0|2,0,0]=4 23032 B14R1.4521 CC(=O)NCCCCNCC1CCC1 269862a_200011368371_100000753134 [0,1,0,1,0,0|2,0,0]=4 23033 B14R1.4521 CC(=O)NCCCCNCC1CCC1 34a_200011368371_100000763275 [0,1,0,1,0,0|2,0,0]=4 23034 B14R1.4521 CC(=O)OCCCCCNC1CCC1 2230a_100000749019_100009813381 [0,1,0,1,0,0|2,0,0]=4 23035 B14R1.4521 CC(=O)OCCCCCNC1CCC1 34a_100000749019_100000033007 [0,1,0,1,0,0|2,0,0]=4 23036 B14R1.4521 CC(=O)OCCCCCOC1CCC1 34a_100000748187_100000033007 [0,1,0,1,0,0|2,0,0]=4 23037 B14R1.4521 CC(=O)OCCCCCSC1CCC1 62a_100000033007_100000749161 [0,1,0,1,0,0|2,0,0]=4 23038 B14R1.4521 CC(=O)OCCCCNCC1CCC1 34a_100000738700_100000033659 [0,1,0,1,0,0|2,0,0]=4 23039 B14R1.4521 CC(=O)OCCCCOCC1CCC1 34a_100000073216_100000763275 [0,1,0,1,0,0|2,0,0]=4 23040 B14R1.4521 CC(=O)OCCCCOCC1CCC1 34a_100000760304_100000033659 [0,1,0,1,0,0|2,0,0]=4 23041 B14R1.4521 CC(=O)OCCCCOCC1CCC1 7a_100000073216_100000763275 [0,1,0,1,0,0|2,0,0]=4 23042 B14R1.4521 CC(=O)OCCCCSCC1CCC1 62a_100000033659_100000763275 [0,1,0,1,0,0|2,0,0]=4 23043 B14R1.4521 CC(=O)OCCCCSCC1CCC1 62a_100000763275_100000033659 [0,1,0,1,0,0|2,0,0]=4 23044 B14R1.4521 CC(=O)SCCCCNCC1CCC1 2230a_100000738700_200010402107 [0,1,0,1,0,0|2,0,0]=4 23045 B14R1.4521 CC(=O)SCCCCNCC1CCC1 34a_100000738700_200010402107 [0,1,0,1,0,0|2,0,0]=4 23046 B14R1.4521 CC(=O)SCCCCOCC1CCC1 34a_100000760304_200010402107 [0,1,0,1,0,0|2,0,0]=4 23047 B14R1.4521 CC(=O)SCCCCSCC1CCC1 62a_100000763275_200010402107 [0,1,0,1,0,0|2,0,0]=4 23048 B14R1.4521 CC(=O)SCCCCSCC1CCC1 62a_200010402107_100000763275 [0,1,0,1,0,0|2,0,0]=4 23049 B14R1.4521 NC(=O)CCCCCNCC1CCC1 2230a_100000738700_100009817443 [0,1,0,1,0,0|1,0,0]=3 23050 B14R1.4521 NC(=O)CCCCCNCC1CCC1 34a_100000738700_100009817443 [0,1,0,1,0,0|1,0,0]=3 23051 B14R1.4521 NC(=O)CCCCCNCC1COC1 2230a_100015281925_100009817443 [0,1,0,1,0,0|2,0,0]=4 23052 B14R1.4521 NC(=O)CCCCCNCC1COC1 34a_100015281925_100009817443 [0,1,0,1,0,0|2,0,0]=4 23053 B14R1.4521 NC(=O)CCCCCNC[C@@H]1CCO1 2230a_100020831831_100009817443 [0,1,0,1,0,0|2,0,0]=4 23054 B14R1.4521 NC(=O)CCCCCNC[C@@H]1CCO1 34a_100020831831_100009817443 [0,1,0,1,0,0|2,0,0]=4 23055 B14R1.4521 NC(=O)CCCCCOCC1CCC1 34a_100000123541_100000763275 [0,1,0,1,0,0|1,0,0]=3 23056 B14R1.4521 NC(=O)CCCCCOCC1CCC1 34a_100000760304_100009817443 [0,1,0,1,0,0|1,0,0]=3 23057 B14R1.4521 NC(=O)CCCCCOCC1CCC1 7a_100000123541_100000763275 [0,1,0,1,0,0|1,0,0]=3 23058 B14R1.4521 NC(=O)CCCCCOCC1CCO1 34a_100000039022_100009817443 [0,1,0,1,0,0|2,0,0]=4 23059 B14R1.4521 NC(=O)CCCCCOCC1CCO1 34a_100000123541_100000103362 [0,1,0,1,0,0|2,0,0]=4 23060 B14R1.4521 NC(=O)CCCCCOCC1CCO1 7a_100000123541_100000103362 [0,1,0,1,0,0|2,0,0]=4 23061 B14R1.4521 NC(=O)CCCCCOCC1CNC1 34a_100016987283_100009817443 [0,1,0,1,0,0|2,0,0]=4 23062 B14R1.4521 NC(=O)CCCCCOCC1COC1 34a_100000060846_100009817443 [0,1,0,1,0,0|2,0,0]=4 23063 B14R1.4521 NC(=O)CCCCCOCC1COC1 34a_100000123541_100010264016 [0,1,0,1,0,0|2,0,0]=4 23064 B14R1.4521 NC(=O)CCCCCOCC1COC1 7a_100000123541_100010264016 [0,1,0,1,0,0|2,0,0]=4 23065 B14R1.4521 NC(=O)CCCCCSCC1CCC1 62a_100000763275_100009817443 [0,1,0,1,0,0|1,0,0]=3 23066 B14R1.4521 NC(=O)CCCCCSCC1CCC1 62a_100009817443_100000763275 [0,1,0,1,0,0|1,0,0]=3 23067 B14R1.4521 NC(=O)CCCCCSCC1CCO1 62a_100000103362_100009817443 [0,1,0,1,0,0|2,0,0]=4 23068 B14R1.4521 NC(=O)CCCCCSCC1CCO1 62a_100009817443_100000103362 [0,1,0,1,0,0|2,0,0]=4 23069 B14R1.4521 NC(=O)CCCCCSCC1COC1 62a_100009817443_100010264016 [0,1,0,1,0,0|2,0,0]=4 23070 B14R1.4521 NC(=O)CCCCCSCC1COC1 62a_100010264016_100009817443 [0,1,0,1,0,0|2,0,0]=4 23071 B14R1.4521 O=C([O-])CCCCCOCC1CCC1 7a_100102619762_100000763275 [0,1,0,1,0,0|1,0,0]=3 23072 B14R1.4521 O=C([O-])CCCCCOCC1CCO1 7a_100102619762_100000103362 [0,1,0,1,0,0|2,0,0]=4 23073 B14R1.4521 O=C([O-])CCCCCOCC1COC1 7a_100102619762_100010264016 [0,1,0,1,0,0|2,0,0]=4 23074 B14R1.5254 CCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210202 [0,1,0,1,0,0|1,0,0]=3 23075 B14R1.5254 O=C(O)[C@H]1CCCCCC[C@H]1NCF 269956a_200049070474_100015361967 [0,1,0,1,0,0|2,0,0]=4 23076 B14R1.6335 C=C(C)CCN1CCCCCCCC1 2230a_100000039187_100000730704 [0,1,0,1,0,0|2,0,0]=4 23077 B14R1.6335 C=C(C)CCN1CCCCCCCC1 269982a_100000039187_100000730704 [0,1,0,1,0,0|2,0,0]=4 23078 B14R1.6335 C=C(C)CCN1CCCCCCCC1 34a_100000039187_100000730704 [0,1,0,1,0,0|2,0,0]=4 23079 B14R1.6335 CC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000053229 [0,1,0,1,0,0|1,0,0]=3 23080 B14R1.6335 CC(=O)OCN1CCCCCCCC1 269982a_100000039187_100000076356 [0,1,0,1,0,0|2,0,0]=4 23081 B14R1.6335 CC(=O)OCN1CCCCCCCC1 34a_100000039187_100009813279 [0,1,0,1,0,0|2,0,0]=4 23082 B14R1.6335 NC(=O)CCN1CCCCCCCC1 2230a_100000039187_100000744528 [0,1,0,1,0,0|1,0,0]=3 23083 B14R1.6335 NC(=O)CCN1CCCCCCCC1 269982a_100000039187_100000744528 [0,1,0,1,0,0|1,0,0]=3 23084 B14R1.6335 NC(=O)CCN1CCCCCCCC1 34a_100000039187_100000731001 [0,1,0,1,0,0|1,0,0]=3 23085 B14R1.6343 C=C(Br)CCOCC1CCCCCC1 34a_100009813270_200000696569 [0,1,0,1,0,0|2,0,0]=4 23086 B14R1.6343 C=C(C)CCNCC1CCCCCC1 2230a_100015204231_100000730704 [0,1,0,1,0,0|2,0,0]=4 23087 B14R1.6343 C=C(C)CCNCC1CCCCCC1 34a_100015204231_100000730704 [0,1,0,1,0,0|2,0,0]=4 23088 B14R1.6343 C=C(C)CCOCC1CCCCCC1 34a_100000699130_100000730704 [0,1,0,1,0,0|2,0,0]=4 23089 B14R1.6343 C=C(C)CCOCC1CCCCCC1 34a_100000764851_200000696569 [0,1,0,1,0,0|2,0,0]=4 23090 B14R1.6343 C=C(C)CCOCC1CCCCCC1 7a_100000699130_100000730704 [0,1,0,1,0,0|2,0,0]=4 23091 B14R1.6343 C=C(C)CCSCC1CCCCCC1 62a_100000730704_200000696569 [0,1,0,1,0,0|2,0,0]=4 23092 B14R1.6343 C=C(C)CCSCC1CCCCCC1 62a_200000696569_100000730704 [0,1,0,1,0,0|2,0,0]=4 23093 B14R1.6343 C=C(C)CNCCC1CCCCCC1 2230a_100011532351_100000748629 [0,1,0,1,0,0|2,0,0]=4 23094 B14R1.6343 C=C(C)CNCCC1CCCCCC1 34a_100011532351_100000748629 [0,1,0,1,0,0|2,0,0]=4 23095 B14R1.6343 C=C(F)CNCCC1CCCCCC1 2230a_100011532351_100009893438 [0,1,0,1,0,0|2,0,0]=4 23096 B14R1.6343 C=C(F)CNCCC1CCCCCC1 34a_100011532351_100009893438 [0,1,0,1,0,0|2,0,0]=4 23097 B14R1.6343 CC(=O)CCCCN1CCCCCC1 269982a_100000185865_100000735457 [0,1,0,1,0,0|1,0,0]=3 23098 B14R1.6343 CC(=O)CCCCN1CCCCCC1 34a_100000185865_100009817362 [0,1,0,1,0,0|1,0,0]=3 23099 B14R1.6343 CC(=O)CCCCN1CCCOCC1 269982a_100000685342_100000735457 [0,1,0,1,0,0|2,0,0]=4 23100 B14R1.6343 CC(=O)CCCCN1CCCOCC1 34a_100000685342_100009817362 [0,1,0,1,0,0|2,0,0]=4 23101 B14R1.6343 CC(=O)CCCNC1CCCCCC1 34a_100000210984_100000685027 [0,1,0,1,0,0|1,0,0]=3 23102 B14R1.6343 CC(=O)CCCOC1CCCCCC1 34a_100000210887_100000685027 [0,1,0,1,0,0|1,0,0]=3 23103 B14R1.6343 CC(=O)CCCOC1CCCCCC1 34a_100000759063_100011217769 [0,1,0,1,0,0|1,0,0]=3 23104 B14R1.6343 CC(=O)CCCOC1CCCCCC1 7a_100000210887_100011215641 [0,1,0,1,0,0|1,0,0]=3 23105 B14R1.6343 CC(=O)CCCSC1CCCCCC1 62a_100011215641_100011217769 [0,1,0,1,0,0|1,0,0]=3 23106 B14R1.6343 CC(=O)CCCSC1CCCCCC1 62a_100011217769_100011215641 [0,1,0,1,0,0|1,0,0]=3 23107 B14R1.6343 CC(=O)CCOCC1CCCCCC1 34a_100000759926_200000696569 [0,1,0,1,0,0|1,0,0]=3 23108 B14R1.6343 CC(=O)CCOCC1CCCCCC1 7a_100000699130_100000053229 [0,1,0,1,0,0|1,0,0]=3 23109 B14R1.6343 CC(=O)CCOCC1CCCCCC1 7a_100000759926_200000696569 [0,1,0,1,0,0|1,0,0]=3 23110 B14R1.6343 CC(=O)CCSCC1CCCCCC1 62a_100000053229_200000696569 [0,1,0,1,0,0|1,0,0]=3 23111 B14R1.6343 CC(=O)CCSCC1CCCCCC1 62a_200000696569_100000053229 [0,1,0,1,0,0|1,0,0]=3 23112 B14R1.6343 CC(=O)NCCCN1CCCCCC1 11a_100000181460_100015343762 [0,1,0,1,0,0|2,0,0]=4 23113 B14R1.6343 CC(=O)NCCCN1CCCCCC1 240690a_100000181460_100015343762 [0,1,0,1,0,0|2,0,0]=4 23114 B14R1.6343 CC(=O)NCCCN1CCCCCC1 527a_100000181460_100103153847 [0,1,0,1,0,0|2,0,0]=4 23115 B14R1.6343 CC(=O)NCCNC1CCCCCC1 2230a_100000210984_100000189650 [0,1,0,1,0,0|2,0,0]=4 23116 B14R1.6343 CC(=O)NCCOC1CCCCCC1 34a_100000158858_100011217769 [0,1,0,1,0,0|2,0,0]=4 23117 B14R1.6343 CC(=O)NCCOC1CCCCCC1 7a_100000210887_100000189650 [0,1,0,1,0,0|2,0,0]=4 23118 B14R1.6343 CC(=O)NCCSC1CCCCCC1 62a_100000189650_100011217769 [0,1,0,1,0,0|2,0,0]=4 23119 B14R1.6343 CC(=O)NCCSC1CCCCCC1 62a_100011217769_100000189650 [0,1,0,1,0,0|2,0,0]=4 23120 B14R1.6343 CC(=O)OCCCN1CCCCCC1 269982a_100000185865_100000042594 [0,1,0,1,0,0|2,0,0]=4 23121 B14R1.6343 CC(=O)OCCCN1CCCCCC1 34a_100000185865_100000042594 [0,1,0,1,0,0|2,0,0]=4 23122 B14R1.6343 CC(=O)OCCNC1CCCCCC1 34a_100000210984_100009814007 [0,1,0,1,0,0|2,0,0]=4 23123 B14R1.6343 CC(=O)OCCOC1CCCCCC1 34a_100000210887_100009814007 [0,1,0,1,0,0|2,0,0]=4 23124 B14R1.6343 CC(=O)OCCOC1CCCCCC1 7a_100000210887_100009814007 [0,1,0,1,0,0|2,0,0]=4 23125 B14R1.6343 CC(=O)OCCSC1CCCCCC1 62a_100009814007_100011217769 [0,1,0,1,0,0|2,0,0]=4 23126 B14R1.6343 CC(=O)OCCSC1CCCCCC1 62a_100011217769_100009814007 [0,1,0,1,0,0|2,0,0]=4 23127 B14R1.6343 CC(=O)OCNCC1CCCCCC1 34a_100015204231_100009813279 [0,1,0,1,0,0|2,0,0]=4 23128 B14R1.6343 CC(=O)OCOCC1CCCCCC1 34a_100000699130_100009813279 [0,1,0,1,0,0|2,0,0]=4 23129 B14R1.6343 CC(=O)OCSCC1CCCCCC1 62a_100000076356_200000696569 [0,1,0,1,0,0|2,0,0]=4 23130 B14R1.6343 CC(=O)OCSCC1CCCCCC1 62a_200000696569_100000076356 [0,1,0,1,0,0|2,0,0]=4 23131 B14R1.6343 CC(=O)SCCCN1CCCCCC1 2230a_100000185865_100000038929 [0,1,0,1,0,0|2,0,0]=4 23132 B14R1.6343 CC(=O)SCCCN1CCCCCC1 269982a_100000185865_100000038929 [0,1,0,1,0,0|2,0,0]=4 23133 B14R1.6343 CC(=O)SCCCN1CCCCCC1 34a_100000185865_100000038929 [0,1,0,1,0,0|2,0,0]=4 23134 B14R1.6343 CS(=O)CCCNC1CCCCCC1 270004a_200000753449_100000210131 [0,1,0,1,0,0|2,0,0]=4 23135 B14R1.6343 NC(=O)CCCNC1CCCCCC1 34a_100000210984_100102525003 [0,1,0,1,0,0|1,0,0]=3 23136 B14R1.6343 NC(=O)CCCNC1CCCCCC1 34a_100000739312_100011217769 [0,1,0,1,0,0|1,0,0]=3 23137 B14R1.6343 NC(=O)CCCOC1CCCCCC1 34a_100000210887_100102525003 [0,1,0,1,0,0|1,0,0]=3 23138 B14R1.6343 NC(=O)CCCOC1CCCCCC1 7a_100000210887_100102525003 [0,1,0,1,0,0|1,0,0]=3 23139 B14R1.6343 NC(=O)CCCSC1CCCCCC1 62a_100011217769_100102525003 [0,1,0,1,0,0|1,0,0]=3 23140 B14R1.6343 NC(=O)CCCSC1CCCCCC1 62a_100102525003_100011217769 [0,1,0,1,0,0|1,0,0]=3 23141 B14R1.6343 NC(=O)CCNCC1CCCCCC1 2230a_100015204231_100000744528 [0,1,0,1,0,0|1,0,0]=3 23142 B14R1.6343 NC(=O)CCNCC1CCCCCC1 269862a_100000740010_200000763224 [0,1,0,1,0,0|1,0,0]=3 23143 B14R1.6343 NC(=O)CCNCC1CCCCCC1 34a_100015204231_100000731001 [0,1,0,1,0,0|1,0,0]=3 23144 B14R1.6343 NC(=O)CCOCC1CCCCCC1 34a_100000699130_100000731001 [0,1,0,1,0,0|1,0,0]=3 23145 B14R1.6343 NC(=O)CCOCC1CCCCCC1 34a_100000757172_200000696569 [0,1,0,1,0,0|1,0,0]=3 23146 B14R1.6343 NC(=O)CCOCC1CCCCCC1 7a_100000699130_100000744528 [0,1,0,1,0,0|1,0,0]=3 23147 B14R1.6343 NC(=O)CCOCC1CCCCCC1 7a_100000757172_200000696569 [0,1,0,1,0,0|1,0,0]=3 23148 B14R1.6343 NC(=O)CCSCC1CCCCCC1 62a_100000744528_200000696569 [0,1,0,1,0,0|1,0,0]=3 23149 B14R1.6343 NC(=O)CCSCC1CCCCCC1 62a_200000696569_100000744528 [0,1,0,1,0,0|1,0,0]=3 23150 B14R1.6343 NC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000747473 [0,1,0,1,0,0|1,0,0]=3 23151 B14R1.6343 NC(=O)CNCCC1CCCCCC1 34a_100011532351_100000187820 [0,1,0,1,0,0|1,0,0]=3 23152 B14R1.6343 NC(=O)COCCN1CCCCCC1 2230a_100000185865_100000076697 [0,1,0,1,0,0|2,0,0]=4 23153 B14R1.6343 NC(=O)COCCN1CCCCCC1 269982a_100000185865_100000076697 [0,1,0,1,0,0|2,0,0]=4 23154 B14R1.6343 NC(=O)COCCN1CCCCCC1 34a_100000185865_100000076697 [0,1,0,1,0,0|2,0,0]=4 23155 B14R1.6343 NC(=O)COCCN1CCCCCC1 34a_100000238007_100000187820 [0,1,0,1,0,0|2,0,0]=4 23156 B14R1.6343 NC(=O)CSCCN1CCCCCC1 62a_100000722644_100000747473 [0,1,0,1,0,0|2,0,0]=4 23157 B14R1.6343 NC(=O)CSCCN1CCCCCC1 62a_100000747473_100000722644 [0,1,0,1,0,0|2,0,0]=4 23158 B14R1.6343 NC(=O)NCCNC1CCCCCC1 2230a_100000210984_200000034859 [0,1,0,1,0,0|2,0,0]=4 23159 B14R1.6343 NC(=O)NCCNC1CCCCCC1 34a_100020590234_100011217769 [0,1,0,1,0,0|2,0,0]=4 23160 B14R1.6343 NC(=O)NCCOC1CCCCCC1 34a_100000181757_100011217769 [0,1,0,1,0,0|2,0,0]=4 23161 B14R1.6343 NC(=O)NCCOC1CCCCCC1 7a_100000210887_200000034859 [0,1,0,1,0,0|2,0,0]=4 23162 B14R1.6343 NC(=O)NCCSC1CCCCCC1 62a_100011217769_200000034859 [0,1,0,1,0,0|2,0,0]=4 23163 B14R1.6343 NC(=O)NCCSC1CCCCCC1 62a_200000034859_100011217769 [0,1,0,1,0,0|2,0,0]=4 23164 B14R1.6343 NC(=O)OCCNC1CCCCCC1 34a_100000210984_200011214921 [0,1,0,1,0,0|2,0,0]=4 23165 B14R1.6343 NC(=O)OCCOC1CCCCCC1 34a_100000210887_200011214921 [0,1,0,1,0,0|2,0,0]=4 23166 B14R1.6343 NC(=O)OCCOC1CCCCCC1 7a_100000210887_200011214921 [0,1,0,1,0,0|2,0,0]=4 23167 B14R1.6343 NC(=O)OCCSC1CCCCCC1 62a_100011217769_200011214921 [0,1,0,1,0,0|2,0,0]=4 23168 B14R1.6343 NC(=O)OCCSC1CCCCCC1 62a_200011214921_100011217769 [0,1,0,1,0,0|2,0,0]=4 23169 B14R1.6343 O=C(O)CNCCN1CCCCCC1 269956a_100016091260_100000722644 [0,1,0,1,0,0|2,0,0]=4 23170 B14R1.6343 O=C(O)CONCC1CCCCCC1 269956a_100000106656_200000696569 [0,1,0,1,0,0|2,0,0]=4 23171 B14R1.6343 O=C([O-])CNCCC1CCCCCC1 34a_100011532351_100020667443 [0,1,0,1,0,0|1,0,0]=3 23172 B14R1.6343 O=C([O-])COCCN1CCCCCC1 34a_100000238007_100020667443 [0,1,0,1,0,0|2,0,0]=4 23173 B14R1.6343 O=C([O-])CSCCN1CCCCCC1 62a_100000722644_100020667443 [0,1,0,1,0,0|2,0,0]=4 23174 B14R1.6343 O=C([O-])CSCCN1CCCCCC1 62a_100020667443_100000722644 [0,1,0,1,0,0|2,0,0]=4 23175 B14R1.6343 O=[N+]([O-])CCCOC1CCCCCC1 34a_200000037920_100011217769 [0,1,0,1,0,0|2,0,0]=4 23176 B14R1.6343 O=[N+]([O-])CNCCC1CCCCCC1 34a_100011532351_100000761209 [0,1,0,1,0,0|2,0,0]=4 23177 B14R1.6388 CC(=O)CCCCOCCNC1CC1 34a_100000738766_100009817362 [0,1,0,1,0,0|2,0,0]=4 23178 B14R1.6388 CC(=O)CCCCSCCCC1CO1 62a_100000733510_100000735457 [0,1,0,1,0,0|2,0,0]=4 23179 B14R1.6388 CC(=O)CCCCSCCCC1CO1 62a_100000735457_100000733510 [0,1,0,1,0,0|2,0,0]=4 23180 B14R1.6388 CC(=O)NCCCCCCNC1CC1 34a_200011996284_100000211595 [0,1,0,1,0,0|2,0,0]=4 23181 B14R1.6388 CC(=O)NCCCCCNCC1CC1 2230a_200012022750_100000742324 [0,1,0,1,0,0|2,0,0]=4 23182 B14R1.6388 CC(=O)NCCCCCNCC1CC1 269862a_200012022750_100000741477 [0,1,0,1,0,0|2,0,0]=4 23183 B14R1.6388 CC(=O)NCCCCCNCC1CC1 34a_200012022750_100000742324 [0,1,0,1,0,0|2,0,0]=4 23184 B14R1.6388 CC(=O)NCCCCNCCC1CC1 2230a_200011368371_100000694398 [0,1,0,1,0,0|2,0,0]=4 23185 B14R1.6388 CC(=O)NCCCCNCCC1CC1 34a_200011368371_100000694398 [0,1,0,1,0,0|2,0,0]=4 23186 B14R1.6388 CC(=O)OCCCCCNCC1CC1 2230a_100000735609_100009813381 [0,1,0,1,0,0|2,0,0]=4 23187 B14R1.6388 CC(=O)OCCCCCNCC1CC1 34a_100000735609_100000033007 [0,1,0,1,0,0|2,0,0]=4 23188 B14R1.6388 CC(=O)OCCCCCOCC1CC1 34a_100000211283_100000033007 [0,1,0,1,0,0|2,0,0]=4 23189 B14R1.6388 CC(=O)OCCCCCSCC1CC1 62a_100000033007_100000742324 [0,1,0,1,0,0|2,0,0]=4 23190 B14R1.6388 CC(=O)OCCCCCSCC1CC1 62a_100000756562_100000033007 [0,1,0,1,0,0|2,0,0]=4 23191 B14R1.6388 CC(=O)OCCCCNCCC1CC1 34a_100000764129_100000033659 [0,1,0,1,0,0|2,0,0]=4 23192 B14R1.6388 CC(=O)OCCCCOCCC1CC1 34a_100000073216_100000694398 [0,1,0,1,0,0|2,0,0]=4 23193 B14R1.6388 CC(=O)OCCCCOCCC1CC1 34a_100000754188_100000033659 [0,1,0,1,0,0|2,0,0]=4 23194 B14R1.6388 CC(=O)OCCCCOCCC1CC1 7a_100000073216_100000764125 [0,1,0,1,0,0|2,0,0]=4 23195 B14R1.6388 CC(=O)OCCCCOCCC1CC1 7a_100000754188_100000033659 [0,1,0,1,0,0|2,0,0]=4 23196 B14R1.6388 CC(=O)OCCCCSCCC1CC1 62a_100000033659_100000764125 [0,1,0,1,0,0|2,0,0]=4 23197 B14R1.6388 CC(=O)OCCCCSCCC1CC1 62a_100000764125_100000033659 [0,1,0,1,0,0|2,0,0]=4 23198 B14R1.6388 CC(=O)SCCCCNCCC1CC1 34a_100000764129_200010402107 [0,1,0,1,0,0|2,0,0]=4 23199 B14R1.6388 CC(=O)SCCCCOCCC1CC1 34a_100000754188_200010402107 [0,1,0,1,0,0|2,0,0]=4 23200 B14R1.6388 CC(=O)SCCCCOCCC1CC1 7a_100000754188_200010402107 [0,1,0,1,0,0|2,0,0]=4 23201 B14R1.6388 CC(=O)SCCCCSCCC1CC1 62a_100000764125_200010402107 [0,1,0,1,0,0|2,0,0]=4 23202 B14R1.6388 CC(=O)SCCCCSCCC1CC1 62a_200010402107_100000764125 [0,1,0,1,0,0|2,0,0]=4 23203 B14R1.6388 NC(=O)CCCCCNCCC1CC1 34a_100000764129_100009817443 [0,1,0,1,0,0|1,0,0]=3 23204 B14R1.6388 NC(=O)CCCCCOCCC1CC1 34a_100000123541_100000694398 [0,1,0,1,0,0|1,0,0]=3 23205 B14R1.6388 NC(=O)CCCCCOCCC1CC1 34a_100000754188_100009817443 [0,1,0,1,0,0|1,0,0]=3 23206 B14R1.6388 NC(=O)CCCCCOCCC1CC1 7a_100000123541_100000764125 [0,1,0,1,0,0|1,0,0]=3 23207 B14R1.6388 NC(=O)CCCCCOCCC1CC1 7a_100000754188_100009817443 [0,1,0,1,0,0|1,0,0]=3 23208 B14R1.6388 NC(=O)CCCCCOCCC1CO1 34a_100000123541_100000732470 [0,1,0,1,0,0|2,0,0]=4 23209 B14R1.6388 NC(=O)CCCCCOCCC1CO1 7a_100000123541_100000732470 [0,1,0,1,0,0|2,0,0]=4 23210 B14R1.6388 NC(=O)CCCCCOCC[C@@H]1CO1 34a_100009820653_100009817443 [0,1,0,1,0,0|2,0,0]=4 23211 B14R1.6388 NC(=O)CCCCCSCCC1CC1 62a_100000764125_100009817443 [0,1,0,1,0,0|1,0,0]=3 23212 B14R1.6388 NC(=O)CCCCCSCCC1CC1 62a_100009817443_100000764125 [0,1,0,1,0,0|1,0,0]=3 23213 B14R1.6388 NC(=O)CCCCCSCCC1CO1 62a_100000732470_100009817443 [0,1,0,1,0,0|2,0,0]=4 23214 B14R1.6388 NC(=O)CCCCCSCCC1CO1 62a_100009817443_100000732470 [0,1,0,1,0,0|2,0,0]=4 23215 B14R1.6388 NC(=O)CCCCNCCCC1CO1 34a_100000696515_100000733510 [0,1,0,1,0,0|2,0,0]=4 23216 B14R1.6388 NC(=O)CCCCOCCCC1CO1 34a_100012022536_100000733510 [0,1,0,1,0,0|2,0,0]=4 23217 B14R1.6388 NC(=O)CCCCOCCCC1CO1 7a_100012022536_100000733510 [0,1,0,1,0,0|2,0,0]=4 23218 B14R1.6388 O=C([O-])CCCCCOCCC1CC1 7a_100102619762_100000764125 [0,1,0,1,0,0|1,0,0]=3 23219 B14R1.6388 O=C([O-])CCCCCOCCC1CO1 7a_100102619762_100000732470 [0,1,0,1,0,0|2,0,0]=4 23220 B14R1.123 BrCCCCCCOC1C=CCCC1 7a_100011215345_100000751183 [0,1,0,1,0,0|2,0,0]=4 23221 B14R1.123 BrCCCCCCOC1CCCCC1 34a_100011215345_100000210327 [0,1,0,1,0,0|1,0,1]=4 23222 B14R1.123 BrCCCCCCOC1CCCCC1 7a_100011215345_100000210327 [0,1,0,1,0,0|1,0,1]=4 23223 B14R1.123 BrCCCCCOCC1CCCCC1 34a_100000746331_100000211423 [0,1,0,1,0,0|1,0,1]=4 23224 B14R1.123 BrCCCCCOCC1CCCCC1 7a_100000746331_100000211423 [0,1,0,1,0,0|1,0,1]=4 23225 B14R1.123 BrCCCCOCCC1CCCCC1 34a_100011216708_100011209188 [0,1,0,1,0,0|1,0,1]=4 23226 B14R1.123 BrCCCOCCCC1CCCCC1 34a_100011217188_100011713725 [0,1,0,1,0,0|1,0,1]=4 23227 B14R1.123 C#CCCCCCNC1CCCCC1 2230a_100000182618_100012094781 [0,1,0,1,0,0|1,0,1]=4 23228 B14R1.123 C#CCCCCCNC1CCCCC1 34a_100000182618_100012094781 [0,1,0,1,0,0|1,0,1]=4 23229 B14R1.123 C#CCCCCCOC1CCCCC1 34a_100000210231_100012094781 [0,1,0,1,0,0|1,0,1]=4 23230 B14R1.123 C#CCCCCCOC1CCCCC1 34a_100000766912_100000210327 [0,1,0,1,0,0|1,0,1]=4 23231 B14R1.123 C#CCCCCCOC1CCCCC1 7a_100000210231_100012094781 [0,1,0,1,0,0|1,0,1]=4 23232 B14R1.123 C#CCCCCCOC1CCCCC1 7a_100000766912_100000210327 [0,1,0,1,0,0|1,0,1]=4 23233 B14R1.123 C#CCCCCCSC1CCCCC1 62a_100000210327_100012094781 [0,1,0,1,0,0|1,0,1]=4 23234 B14R1.123 C#CCCCCCSC1CCCCC1 62a_100012094781_100000210327 [0,1,0,1,0,0|1,0,1]=4 23235 B14R1.123 C#CCCCCNCC1CCCCC1 2230a_100000210473_100010269958 [0,1,0,1,0,0|1,0,1]=4 23236 B14R1.123 C#CCCCCNCC1CCCCC1 2230a_100000706060_100000211423 [0,1,0,1,0,0|1,0,1]=4 23237 B14R1.123 C#CCCCCNCC1CCCCC1 34a_100000210473_100010269958 [0,1,0,1,0,0|1,0,1]=4 23238 B14R1.123 C#CCCCCNCC1CCCCC1 34a_100000706060_100000211423 [0,1,0,1,0,0|1,0,1]=4 23239 B14R1.123 C#CCCCCOCC1CCCCC1 34a_100000212181_100010269958 [0,1,0,1,0,0|1,0,1]=4 23240 B14R1.123 C#CCCCCOCC1CCCCC1 34a_100000766709_100000211423 [0,1,0,1,0,0|1,0,1]=4 23241 B14R1.123 C#CCCCCOCC1CCCCC1 7a_100000212181_100010269958 [0,1,0,1,0,0|1,0,1]=4 23242 B14R1.123 C#CCCCCOCC1CCCCC1 7a_100000766709_100000211423 [0,1,0,1,0,0|1,0,1]=4 23243 B14R1.123 C#CCCCCSCC1CCCCC1 62a_100000211423_100010269958 [0,1,0,1,0,0|1,0,1]=4 23244 B14R1.123 C#CCCCCSCC1CCCCC1 62a_100010269958_100000211423 [0,1,0,1,0,0|1,0,1]=4 23245 B14R1.123 C#CCCCNCCC1CCCCC1 2230a_100000738074_100000731252 [0,1,0,1,0,0|1,0,1]=4 23246 B14R1.123 C#CCCCNCCC1CCCCC1 270004a_100000718082_100011713444 [0,1,0,1,0,0|1,0,1]=4 23247 B14R1.123 C#CCCCNCCC1CCCCC1 34a_100000718082_100011209188 [0,1,0,1,0,0|1,0,1]=4 23248 B14R1.123 C#CCCCNCCC1CCCCC1 34a_100000738074_100000695029 [0,1,0,1,0,0|1,0,1]=4 23249 B14R1.123 C#CCCCOCCC1CCCCC1 34a_100000215630_100011209188 [0,1,0,1,0,0|1,0,1]=4 23250 B14R1.123 C#CCCCOCCC1CCCCC1 34a_100011217863_100000695029 [0,1,0,1,0,0|1,0,1]=4 23251 B14R1.123 C#CCCCOCCC1CCCCC1 7a_100000215630_100011273959 [0,1,0,1,0,0|1,0,1]=4 23252 B14R1.123 C#CCCCOCCC1CCCCC1 7a_100011217863_100011215417 [0,1,0,1,0,0|1,0,1]=4 23253 B14R1.123 C#CCCCSCCC1CCCCC1 62a_100011215417_100012355289 [0,1,0,1,0,0|1,0,1]=4 23254 B14R1.123 C#CCCCSCCC1CCCCC1 62a_100012355289_100011215417 [0,1,0,1,0,0|1,0,1]=4 23255 B14R1.123 C#CCCNCCCC1CCCCC1 2230a_100011211642_100000688953 [0,1,0,1,0,0|1,0,1]=4 23256 B14R1.123 C#CCCNCCCC1CCCCC1 34a_100000755551_100011713725 [0,1,0,1,0,0|1,0,1]=4 23257 B14R1.123 C#CCCNCCCC1CCCCC1 34a_100011211642_100000688953 [0,1,0,1,0,0|1,0,1]=4 23258 B14R1.123 C#CCCOCCCC1CCCCC1 34a_100000198086_100000688953 [0,1,0,1,0,0|1,0,1]=4 23259 B14R1.123 C#CCCOCCCC1CCCCC1 34a_100011215631_100011713725 [0,1,0,1,0,0|1,0,1]=4 23260 B14R1.123 C#CCCOCCCC1CCCCC1 7a_100000198086_100000688953 [0,1,0,1,0,0|1,0,1]=4 23261 B14R1.123 C#CCCSCCCC1CCCCC1 62a_100000688953_100011713725 [0,1,0,1,0,0|1,0,1]=4 23262 B14R1.123 C#CCCSCCCC1CCCCC1 62a_100011713725_100000688953 [0,1,0,1,0,0|1,0,1]=4 23263 B14R1.123 C#CCOCCCCC1CCCCC1 34a_100011215267_100000184674 [0,1,0,1,0,0|1,0,1]=4 23264 B14R1.123 C#CCOCCCCC1CCCCC1 7a_100011215267_100000038162 [0,1,0,1,0,0|1,0,1]=4 23265 B14R1.123 C/C=C/CCOCCC1CCCCC1 34a_100016278192_100011209188 [0,1,0,1,0,0|1,0,1]=4 23266 B14R1.123 C/C=C/CNCCCC1CCCCC1 34a_100011211642_100102629194 [0,1,0,1,0,0|1,0,1]=4 23267 B14R1.123 C/C=C/COCCCC1CCCCC1 34a_100000198086_100102629194 [0,1,0,1,0,0|1,0,1]=4 23268 B14R1.123 C/C=C/COCCCC1CCCCC1 34a_100016270725_100011713725 [0,1,0,1,0,0|1,0,1]=4 23269 B14R1.123 C/C=C/COCCCC1CCCCC1 7a_100000198086_100102629194 [0,1,0,1,0,0|1,0,1]=4 23270 B14R1.123 C/C=C/CSCCCC1CCCCC1 62a_100011713725_100102629194 [0,1,0,1,0,0|1,0,1]=4 23271 B14R1.123 C/C=C/CSCCCC1CCCCC1 62a_100102629194_100011713725 [0,1,0,1,0,0|1,0,1]=4 23272 B14R1.123 C=CCCCCCCN1CCCOC1 2230a_100000131196_100011215473 [0,1,0,1,0,0|2,0,0]=4 23273 B14R1.123 C=CCCCCCCN1CCCOC1 269982a_100000131196_100011215473 [0,1,0,1,0,0|2,0,0]=4 23274 B14R1.123 C=CCCCCCCN1CCCOC1 34a_100000131196_100011215473 [0,1,0,1,0,0|2,0,0]=4 23275 B14R1.123 C=CCCCCCCN1CCOCC1 2230a_100015191051_100011215473 [0,1,0,1,0,0|2,0,0]=4 23276 B14R1.123 C=CCCCCCCN1CCOCC1 269982a_100015191051_100011215473 [0,1,0,1,0,0|2,0,0]=4 23277 B14R1.123 C=CCCCCCCN1CCOCC1 34a_100015191051_100011215473 [0,1,0,1,0,0|2,0,0]=4 23278 B14R1.123 C=CCCCCCCN1CCSCC1 2230a_100000737611_100011215473 [0,1,0,1,0,0|2,0,0]=4 23279 B14R1.123 C=CCCCCCCN1CCSCC1 269982a_100000737611_100011215473 [0,1,0,1,0,0|2,0,0]=4 23280 B14R1.123 C=CCCCCCNC1CCCCC1 2230a_100000182618_100000700193 [0,1,0,1,0,0|1,0,0]=3 23281 B14R1.123 C=CCCCCCNC1CCCCC1 34a_100000182618_100000700193 [0,1,0,1,0,0|1,0,0]=3 23282 B14R1.123 C=CCCCCCNC1CCCOC1 2230a_100000719290_100000700193 [0,1,0,1,0,0|2,0,0]=4 23283 B14R1.123 C=CCCCCCNC1CCCOC1 34a_100000719290_100000700193 [0,1,0,1,0,0|2,0,0]=4 23284 B14R1.123 C=CCCCCCNC1CCOCC1 2230a_100000741149_100000700193 [0,1,0,1,0,0|2,0,0]=4 23285 B14R1.123 C=CCCCCCNC1CCOCC1 34a_100000741149_100000700193 [0,1,0,1,0,0|2,0,0]=4 23286 B14R1.123 C=CCCCCCNC1CCSCC1 2230a_100000748639_100000700193 [0,1,0,1,0,0|2,0,0]=4 23287 B14R1.123 C=CCCCCCNC1CCSCC1 34a_100000748639_100000700193 [0,1,0,1,0,0|2,0,0]=4 23288 B14R1.123 C=CCCCCCOC1CCCCC1 34a_100000210231_100000700193 [0,1,0,1,0,0|1,0,0]=3 23289 B14R1.123 C=CCCCCCOC1CCCCC1 34a_100011216702_100000210327 [0,1,0,1,0,0|1,0,0]=3 23290 B14R1.123 C=CCCCCCOC1CCCCC1 7a_100000210231_100000700193 [0,1,0,1,0,0|1,0,0]=3 23291 B14R1.123 C=CCCCCCOC1CCCCC1 7a_100011216702_100000210327 [0,1,0,1,0,0|1,0,0]=3 23292 B14R1.123 C=CCCCCCOC1CCCCO1 34a_100000033831_100000700193 [0,1,0,1,0,0|2,0,0]=4 23293 B14R1.123 C=CCCCCCOC1CCCOC1 34a_100000754041_100000700193 [0,1,0,1,0,0|2,0,0]=4 23294 B14R1.123 C=CCCCCCOC1CCCOC1 34a_100011216702_100000693364 [0,1,0,1,0,0|2,0,0]=4 23295 B14R1.123 C=CCCCCCOC1CCCOC1 7a_100011216702_100000693364 [0,1,0,1,0,0|2,0,0]=4 23296 B14R1.123 C=CCCCCCOC1CCCSC1 7a_100015962668_100000700193 [0,1,0,1,0,0|2,0,0]=4 23297 B14R1.123 C=CCCCCCOC1CCOCC1 34a_100000744328_100000700193 [0,1,0,1,0,0|2,0,0]=4 23298 B14R1.123 C=CCCCCCOC1CCOCC1 7a_100011216702_100000686592 [0,1,0,1,0,0|2,0,0]=4 23299 B14R1.123 C=CCCCCCOC1CCSCC1 34a_100000731022_100000700193 [0,1,0,1,0,0|2,0,0]=4 23300 B14R1.123 C=CCCCCCOC1CCSCC1 34a_100011216702_100000069128 [0,1,0,1,0,0|2,0,0]=4 23301 B14R1.123 C=CCCCCCOC1CCSCC1 7a_100000731022_100000700193 [0,1,0,1,0,0|2,0,0]=4 23302 B14R1.123 C=CCCCCCOC1CCSCC1 7a_100011216702_100011500858 [0,1,0,1,0,0|2,0,0]=4 23303 B14R1.123 C=CCCCCCSC1CCCCC1 62a_100000210327_100000700193 [0,1,0,1,0,0|1,0,0]=3 23304 B14R1.123 C=CCCCCCSC1CCCCC1 62a_100000700193_100000210327 [0,1,0,1,0,0|1,0,0]=3 23305 B14R1.123 C=CCCCCCSC1CCCOC1 62a_100000700193_100000693364 [0,1,0,1,0,0|2,0,0]=4 23306 B14R1.123 C=CCCCCCSC1CCOCC1 62a_100000700193_100011324220 [0,1,0,1,0,0|2,0,0]=4 23307 B14R1.123 C=CCCCCCSC1CCSCC1 62a_100000700193_100000069128 [0,1,0,1,0,0|2,0,0]=4 23308 B14R1.123 C=CCCCCNCC1CCCCC1 2230a_100000210473_100011215482 [0,1,0,1,0,0|1,0,0]=3 23309 B14R1.123 C=CCCCCNCC1CCCCC1 2230a_100000703577_100000211423 [0,1,0,1,0,0|1,0,0]=3 23310 B14R1.123 C=CCCCCNCC1CCCCC1 269862a_100000703577_100000211278 [0,1,0,1,0,0|1,0,0]=3 23311 B14R1.123 C=CCCCCNCC1CCCCC1 34a_100000210473_100011215482 [0,1,0,1,0,0|1,0,0]=3 23312 B14R1.123 C=CCCCCNCC1CCCCC1 34a_100000703577_100000211423 [0,1,0,1,0,0|1,0,0]=3 23313 B14R1.123 C=CCCCCNCC1CCCCO1 2230a_100000174945_100011215482 [0,1,0,1,0,0|2,0,0]=4 23314 B14R1.123 C=CCCCCNCC1CCCCO1 2230a_100000703577_100000211543 [0,1,0,1,0,0|2,0,0]=4 23315 B14R1.123 C=CCCCCNCC1CCCCO1 34a_100000174945_100011215482 [0,1,0,1,0,0|2,0,0]=4 23316 B14R1.123 C=CCCCCNCC1CCCCO1 34a_100000703577_100000211543 [0,1,0,1,0,0|2,0,0]=4 23317 B14R1.123 C=CCCCCNCC1CCCOC1 2230a_100000703577_100000741521 [0,1,0,1,0,0|2,0,0]=4 23318 B14R1.123 C=CCCCCNCC1CCCOC1 2230a_100000720124_100011215482 [0,1,0,1,0,0|2,0,0]=4 23319 B14R1.123 C=CCCCCNCC1CCCOC1 34a_100000703577_100000741521 [0,1,0,1,0,0|2,0,0]=4 23320 B14R1.123 C=CCCCCNCC1CCCOC1 34a_100000720124_100011215482 [0,1,0,1,0,0|2,0,0]=4 23321 B14R1.123 C=CCCCCNCC1CCOCC1 2230a_100000703577_100000754603 [0,1,0,1,0,0|2,0,0]=4 23322 B14R1.123 C=CCCCCNCC1CCOCC1 2230a_100000746373_100011215482 [0,1,0,1,0,0|2,0,0]=4 23323 B14R1.123 C=CCCCCNCC1CCOCC1 269862a_100000703577_100000749017 [0,1,0,1,0,0|2,0,0]=4 23324 B14R1.123 C=CCCCCNCC1CCOCC1 34a_100000703577_100000754603 [0,1,0,1,0,0|2,0,0]=4 23325 B14R1.123 C=CCCCCNCC1CCOCC1 34a_100000746373_100011215482 [0,1,0,1,0,0|2,0,0]=4 23326 B14R1.123 C=CCCCCNCC1CCSCC1 2230a_100015188806_100011215482 [0,1,0,1,0,0|2,0,0]=4 23327 B14R1.123 C=CCCCCNCC1CCSCC1 269862a_100000703577_100000067145 [0,1,0,1,0,0|2,0,0]=4 23328 B14R1.123 C=CCCCCNCC1CCSCC1 270004a_100000703577_100000067145 [0,1,0,1,0,0|2,0,0]=4 23329 B14R1.123 C=CCCCCNCC1CCSCC1 34a_100015188806_100011215482 [0,1,0,1,0,0|2,0,0]=4 23330 B14R1.123 C=CCCCCOCC1CCCCC1 34a_100000212181_100011215482 [0,1,0,1,0,0|1,0,0]=3 23331 B14R1.123 C=CCCCCOCC1CCCCC1 34a_100000766645_100000211423 [0,1,0,1,0,0|1,0,0]=3 23332 B14R1.123 C=CCCCCOCC1CCCCC1 7a_100000212181_100011215482 [0,1,0,1,0,0|1,0,0]=3 23333 B14R1.123 C=CCCCCOCC1CCCCC1 7a_100000766645_100000211423 [0,1,0,1,0,0|1,0,0]=3 23334 B14R1.123 C=CCCCCOCC1CCCCN1 34a_100000210821_100011215482 [0,1,0,1,0,0|2,0,0]=4 23335 B14R1.123 C=CCCCCOCC1CCCCO1 34a_100000211370_100011215482 [0,1,0,1,0,0|2,0,0]=4 23336 B14R1.123 C=CCCCCOCC1CCCCO1 34a_100000766645_100000211543 [0,1,0,1,0,0|2,0,0]=4 23337 B14R1.123 C=CCCCCOCC1CCCCO1 7a_100000211370_100011215482 [0,1,0,1,0,0|2,0,0]=4 23338 B14R1.123 C=CCCCCOCC1CCCCO1 7a_100000766645_100000211543 [0,1,0,1,0,0|2,0,0]=4 23339 B14R1.123 C=CCCCCOCC1CCCNC1 34a_100000211344_100011215482 [0,1,0,1,0,0|2,0,0]=4 23340 B14R1.123 C=CCCCCOCC1CCCOC1 34a_100000741520_100011215482 [0,1,0,1,0,0|2,0,0]=4 23341 B14R1.123 C=CCCCCOCC1CCCOC1 34a_100000766645_100000741521 [0,1,0,1,0,0|2,0,0]=4 23342 B14R1.123 C=CCCCCOCC1CCCOC1 7a_100000766645_100000741521 [0,1,0,1,0,0|2,0,0]=4 23343 B14R1.123 C=CCCCCOCC1CCNCC1 34a_100000738675_100011215482 [0,1,0,1,0,0|2,0,0]=4 23344 B14R1.123 C=CCCCCOCC1CCOCC1 34a_100000749013_100011215482 [0,1,0,1,0,0|2,0,0]=4 23345 B14R1.123 C=CCCCCOCC1CCOCC1 34a_100000766645_100000754603 [0,1,0,1,0,0|2,0,0]=4 23346 B14R1.123 C=CCCCCOCC1CCOCC1 7a_100000766645_100000754603 [0,1,0,1,0,0|2,0,0]=4 23347 B14R1.123 C=CCCCCOCC1CCSCC1 34a_100000070558_100011215482 [0,1,0,1,0,0|2,0,0]=4 23348 B14R1.123 C=CCCCCOCC1CCSCC1 7a_100000070558_100011215482 [0,1,0,1,0,0|2,0,0]=4 23349 B14R1.123 C=CCCCCSCC1CCCCC1 62a_100000211423_100011215482 [0,1,0,1,0,0|1,0,0]=3 23350 B14R1.123 C=CCCCCSCC1CCCCC1 62a_100011215482_100000211423 [0,1,0,1,0,0|1,0,0]=3 23351 B14R1.123 C=CCCCCSCC1CCCCO1 62a_100000211543_100011215482 [0,1,0,1,0,0|2,0,0]=4 23352 B14R1.123 C=CCCCCSCC1CCCCO1 62a_100011215482_100000211543 [0,1,0,1,0,0|2,0,0]=4 23353 B14R1.123 C=CCCCCSCC1CCCOC1 62a_100000741521_100011215482 [0,1,0,1,0,0|2,0,0]=4 23354 B14R1.123 C=CCCCCSCC1CCCOC1 62a_100011215482_100000741521 [0,1,0,1,0,0|2,0,0]=4 23355 B14R1.123 C=CCCCCSCC1CCOCC1 62a_100000754603_100011215482 [0,1,0,1,0,0|2,0,0]=4 23356 B14R1.123 C=CCCCCSCC1CCOCC1 62a_100011215482_100000749018 [0,1,0,1,0,0|2,0,0]=4 23357 B14R1.123 C=CCCCNCCC1CCCCC1 2230a_100000700776_100012355289 [0,1,0,1,0,0|1,0,0]=3 23358 B14R1.123 C=CCCCNCCC1CCCCC1 2230a_100000738074_100011713584 [0,1,0,1,0,0|1,0,0]=3 23359 B14R1.123 C=CCCCNCCC1CCCCC1 270004a_100000700776_100011713444 [0,1,0,1,0,0|1,0,0]=3 23360 B14R1.123 C=CCCCNCCC1CCCCC1 34a_100000700776_100011209188 [0,1,0,1,0,0|1,0,0]=3 23361 B14R1.123 C=CCCCNCCC1CCCCC1 34a_100000738074_100000757094 [0,1,0,1,0,0|1,0,0]=3 23362 B14R1.123 C=CCCCNCCC1CCCCO1 2230a_100015183643_100011713584 [0,1,0,1,0,0|2,0,0]=4 23363 B14R1.123 C=CCCCNCCC1CCCCO1 34a_100015183643_100000757094 [0,1,0,1,0,0|2,0,0]=4 23364 B14R1.123 C=CCCCNCCC1CCOCC1 2230a_100000700776_100011934994 [0,1,0,1,0,0|2,0,0]=4 23365 B14R1.123 C=CCCCNCCC1CCOCC1 2230a_100000755988_100011713584 [0,1,0,1,0,0|2,0,0]=4 23366 B14R1.123 C=CCCCNCCC1CCOCC1 34a_100000700776_100011934994 [0,1,0,1,0,0|2,0,0]=4 23367 B14R1.123 C=CCCCNCCC1CCOCC1 34a_100000755988_100000757094 [0,1,0,1,0,0|2,0,0]=4 23368 B14R1.123 C=CCCCNCCN1CCCCC1 2230a_100000700776_100000739454 [0,1,0,1,0,0|2,0,0]=4 23369 B14R1.123 C=CCCCNCCN1CCCCC1 34a_100000700776_100000739454 [0,1,0,1,0,0|2,0,0]=4 23370 B14R1.123 C=CCCCNCOC1CCCCC1 2230a_100000700776_100011935260 [0,1,0,1,0,0|2,0,0]=4 23371 B14R1.123 C=CCCCNCOC1CCCCC1 34a_100000700776_100011935260 [0,1,0,1,0,0|2,0,0]=4 23372 B14R1.123 C=CCCCOCCC1CCCCC1 34a_100000758997_100011209188 [0,1,0,1,0,0|1,0,0]=3 23373 B14R1.123 C=CCCCOCCC1CCCCC1 34a_100011217863_100000757094 [0,1,0,1,0,0|1,0,0]=3 23374 B14R1.123 C=CCCCOCCC1CCCCC1 7a_100000758997_100011273959 [0,1,0,1,0,0|1,0,0]=3 23375 B14R1.123 C=CCCCOCCC1CCCCC1 7a_100011217863_100000757094 [0,1,0,1,0,0|1,0,0]=3 23376 B14R1.123 C=CCCCOCCC1CCCCN1 34a_100000211664_100000757094 [0,1,0,1,0,0|2,0,0]=4 23377 B14R1.123 C=CCCCOCCC1CCCNC1 34a_100000752241_100000757094 [0,1,0,1,0,0|2,0,0]=4 23378 B14R1.123 C=CCCCOCCC1CCNCC1 34a_100015190746_100000757094 [0,1,0,1,0,0|2,0,0]=4 23379 B14R1.123 C=CCCCOCCC1CCOCC1 34a_100000758997_100011934994 [0,1,0,1,0,0|2,0,0]=4 23380 B14R1.123 C=CCCCOCCC1CCOCC1 34a_100011933979_100000757094 [0,1,0,1,0,0|2,0,0]=4 23381 B14R1.123 C=CCCCOCCC1CCOCC1 7a_100000758997_100011934994 [0,1,0,1,0,0|2,0,0]=4 23382 B14R1.123 C=CCCCOCCC1CCOCC1 7a_100011933979_100000757094 [0,1,0,1,0,0|2,0,0]=4 23383 B14R1.123 C=CCCCOCCN1CCCCC1 34a_100000758997_100000739454 [0,1,0,1,0,0|2,0,0]=4 23384 B14R1.123 C=CCCCOCCN1CCCCC1 7a_100000758997_100000739454 [0,1,0,1,0,0|2,0,0]=4 23385 B14R1.123 C=CCCCOCOC1CCCCC1 34a_100000758997_100011935260 [0,1,0,1,0,0|2,0,0]=4 23386 B14R1.123 C=CCCCOCOC1CCCCC1 7a_100000758997_100011935260 [0,1,0,1,0,0|2,0,0]=4 23387 B14R1.123 C=CCCCSCCC1CCCCC1 62a_100011713584_100012355289 [0,1,0,1,0,0|1,0,0]=3 23388 B14R1.123 C=CCCCSCCC1CCCCC1 62a_100012355289_100000757094 [0,1,0,1,0,0|1,0,0]=3 23389 B14R1.123 C=CCCCSCCC1CCOCC1 62a_100011713584_100011934994 [0,1,0,1,0,0|2,0,0]=4 23390 B14R1.123 C=CCCCSCCC1CCOCC1 62a_100011934994_100000757094 [0,1,0,1,0,0|2,0,0]=4 23391 B14R1.123 C=CCCCSCCN1CCCCC1 62a_100000739454_100000757094 [0,1,0,1,0,0|2,0,0]=4 23392 B14R1.123 C=CCCCSCCN1CCCCC1 62a_100011713584_100000739454 [0,1,0,1,0,0|2,0,0]=4 23393 B14R1.123 C=CCCCSCOC1CCCCC1 62a_100011713584_100011935260 [0,1,0,1,0,0|2,0,0]=4 23394 B14R1.123 C=CCCCSCOC1CCCCC1 62a_100011935260_100000757094 [0,1,0,1,0,0|2,0,0]=4 23395 B14R1.123 C=CCCNCCCC1CCCCC1 2230a_100011211642_100000754431 [0,1,0,1,0,0|1,0,0]=3 23396 B14R1.123 C=CCCNCCCC1CCCCC1 2230a_100015191253_100011713725 [0,1,0,1,0,0|1,0,0]=3 23397 B14R1.123 C=CCCNCCCC1CCCCC1 34a_100011211642_100000754431 [0,1,0,1,0,0|1,0,0]=3 23398 B14R1.123 C=CCCNCCCN1CCCCC1 2230a_100015191253_100000690320 [0,1,0,1,0,0|2,0,0]=4 23399 B14R1.123 C=CCCNCCOC1CCCCC1 2230a_100015191253_100011211530 [0,1,0,1,0,0|2,0,0]=4 23400 B14R1.123 C=CCCNCCOC1CCCCC1 34a_100015206981_100000754431 [0,1,0,1,0,0|2,0,0]=4 23401 B14R1.123 C=CCCOCCCC1CCCCC1 34a_100000198086_100000754431 [0,1,0,1,0,0|1,0,0]=3 23402 B14R1.123 C=CCCOCCCC1CCCCC1 34a_100011205117_100011713725 [0,1,0,1,0,0|1,0,0]=3 23403 B14R1.123 C=CCCOCCCC1CCCCC1 7a_100000198086_100000754431 [0,1,0,1,0,0|1,0,0]=3 23404 B14R1.123 C=CCCOCCCC1CCCCN1 34a_100011934581_100000754431 [0,1,0,1,0,0|2,0,0]=4 23405 B14R1.123 C=CCCOCCCC1CCCNC1 34a_100150707839_100000754431 [0,1,0,1,0,0|2,0,0]=4 23406 B14R1.123 C=CCCOCCCC1CCNCC1 34a_100016988962_100000754431 [0,1,0,1,0,0|2,0,0]=4 23407 B14R1.123 C=CCCOCCCN1CCCCC1 34a_100000212458_100000754431 [0,1,0,1,0,0|2,0,0]=4 23408 B14R1.123 C=CCCOCCCN1CCCCC1 34a_100011205117_100000690320 [0,1,0,1,0,0|2,0,0]=4 23409 B14R1.123 C=CCCOCCNC1CCCCC1 34a_100000200466_100000754431 [0,1,0,1,0,0|2,0,0]=4 23410 B14R1.123 C=CCCOCCOC1CCCCC1 34a_100011205117_100011211530 [0,1,0,1,0,0|2,0,0]=4 23411 B14R1.123 C=CCCOCCOC1CCCCC1 34a_100011249652_100000754431 [0,1,0,1,0,0|2,0,0]=4 23412 B14R1.123 C=CCCOCCOC1CCCCC1 7a_100011249652_100000754431 [0,1,0,1,0,0|2,0,0]=4 23413 B14R1.123 C=CCCSCCCC1CCCCC1 62a_100000754431_100011713725 [0,1,0,1,0,0|1,0,0]=3 23414 B14R1.123 C=CCCSCCCC1CCCCC1 62a_100011713725_100000754431 [0,1,0,1,0,0|1,0,0]=3 23415 B14R1.123 C=CCCSCCCN1CCCCC1 62a_100000754431_100000007876 [0,1,0,1,0,0|2,0,0]=4 23416 B14R1.123 C=CCCSCCCN1CCCCC1 62a_100132302099_100000754431 [0,1,0,1,0,0|2,0,0]=4 23417 B14R1.123 C=CCCSCCOC1CCCCC1 62a_100000754431_100011211530 [0,1,0,1,0,0|2,0,0]=4 23418 B14R1.123 C=CCCSCCOC1CCCCC1 62a_100011211530_100000754431 [0,1,0,1,0,0|2,0,0]=4 23419 B14R1.123 C=CCNCCCOC1CCCCC1 34a_100000205933_100015514636 [0,1,0,1,0,0|2,0,0]=4 23420 B14R1.123 C=CCOCCCCC1CCCCC1 34a_100011215267_100015514636 [0,1,0,1,0,0|1,0,0]=3 23421 B14R1.123 C=CCOCCCCC1CCCCC1 7a_100011215267_100015514636 [0,1,0,1,0,0|1,0,0]=3 23422 B14R1.123 C=CCOCCCCC1CCNCC1 34a_100016989291_100015514636 [0,1,0,1,0,0|2,0,0]=4 23423 B14R1.123 C=CCOCCOCC1CCCCC1 34a_100000037705_100000211423 [0,1,0,1,0,0|2,0,0]=4 23424 B14R1.123 C=CCOCCOCC1CCCCC1 7a_100000037705_100000211423 [0,1,0,1,0,0|2,0,0]=4 23425 B14R1.123 C=COCCCCOC1CCCCC1 34a_100000031558_100000210327 [0,1,0,1,0,0|2,0,0]=4 23426 B14R1.123 C=COCCCCOC1CCCCC1 7a_100000031558_100000210327 [0,1,0,1,0,0|2,0,0]=4 23427 B14R1.123 C=COCCCNCC1CCCCC1 2230a_100000210767_100000211423 [0,1,0,1,0,0|2,0,0]=4 23428 B14R1.123 C=COCCCNCC1CCCCC1 269862a_100000210767_100000211278 [0,1,0,1,0,0|2,0,0]=4 23429 B14R1.123 C=COCCCNCC1CCCCC1 34a_100000210767_100000211423 [0,1,0,1,0,0|2,0,0]=4 23430 B14R1.123 C=COCCNCCC1CCCCC1 2230a_100000738074_100000039644 [0,1,0,1,0,0|2,0,0]=4 23431 B14R1.123 C=COCCNCCC1CCCCC1 34a_100000738074_100000039644 [0,1,0,1,0,0|2,0,0]=4 23432 B14R1.123 C=COCCOCCC1CCCCC1 34a_100000033082_100011209188 [0,1,0,1,0,0|2,0,0]=4 23433 B14R1.123 C=COCCOCCC1CCCCC1 34a_100011217863_100000039644 [0,1,0,1,0,0|2,0,0]=4 23434 B14R1.123 C=COCCOCCC1CCCCC1 7a_100011217863_100000039644 [0,1,0,1,0,0|2,0,0]=4 23435 B14R1.123 C=COCCSCCC1CCCCC1 62a_100000039644_100012355289 [0,1,0,1,0,0|2,0,0]=4 23436 B14R1.123 C=COCCSCCC1CCCCC1 62a_100012355289_100000039644 [0,1,0,1,0,0|2,0,0]=4 23437 B14R1.123 CC=CCCCOCC1CCCCC1 34a_100020645299_100000211423 [0,1,0,1,0,0|1,0,1]=4 23438 B14R1.123 CC=CCNCCCC1CCCCC1 2230a_100011211642_100000070051 [0,1,0,1,0,0|1,0,1]=4 23439 B14R1.123 CC=CCNCCCC1CCCCC1 34a_100011211642_100000070051 [0,1,0,1,0,0|1,0,1]=4 23440 B14R1.123 CC=CCOCCCC1CCCCC1 34a_100000198086_100000070051 [0,1,0,1,0,0|1,0,1]=4 23441 B14R1.123 CC=CCOCCCC1CCCCC1 7a_100000198086_100000070051 [0,1,0,1,0,0|1,0,1]=4 23442 B14R1.123 CC=CCSCCCC1CCCCC1 62a_100000070051_100011713725 [0,1,0,1,0,0|1,0,1]=4 23443 B14R1.123 CC=CCSCCCC1CCCCC1 62a_100011713725_100000070051 [0,1,0,1,0,0|1,0,1]=4 23444 B14R1.123 CCCCCCCCN1CC=CCC1 2230a_100000698166_100000210759 [0,1,0,1,0,0|1,0,1]=4 23445 B14R1.123 CCCCCCCCN1CC=CCC1 269982a_100000698166_100000210759 [0,1,0,1,0,0|1,0,1]=4 23446 B14R1.123 CCCCCCCCN1CC=CCC1 34a_100000698166_100000210759 [0,1,0,1,0,0|1,0,1]=4 23447 B14R1.123 CCCCCCCCN1CCCOC1 2230a_100000131196_100000210759 [0,1,0,1,0,0|2,0,0]=4 23448 B14R1.123 CCCCCCCCN1CCCOC1 269982a_100000131196_100000210759 [0,1,0,1,0,0|2,0,0]=4 23449 B14R1.123 CCCCCCCCN1CCCOC1 34a_100000131196_100000210759 [0,1,0,1,0,0|2,0,0]=4 23450 B14R1.123 CCCCCCCNC1C=CCCC1 2230a_100000229938_100000751183 [0,1,0,1,0,0|1,0,0]=3 23451 B14R1.123 CCCCCCCNC1CCCCC1 2230a_100000182618_100000210681 [0,1,0,1,0,0|1,0,1]=4 23452 B14R1.123 CCCCCCCNC1CCCCC1 270004a_100000229938_100000210434 [0,1,0,1,0,0|1,0,1]=4 23453 B14R1.123 CCCCCCCNC1CCCCC1 34a_100000182618_100000210614 [0,1,0,1,0,0|1,0,1]=4 23454 B14R1.123 CCCCCCCNC1CCCOC1 2230a_100000719290_100000210681 [0,1,0,1,0,0|2,0,0]=4 23455 B14R1.123 CCCCCCCNC1CCCOC1 270004a_100000229938_100000753404 [0,1,0,1,0,0|2,0,0]=4 23456 B14R1.123 CCCCCCCNC1CCCOC1 34a_100000719290_100000210614 [0,1,0,1,0,0|2,0,0]=4 23457 B14R1.123 CCCCCCCNC1CCCSC1 270004a_100000229938_100000057913 [0,1,0,1,0,0|2,0,0]=4 23458 B14R1.123 CCCCCCCOC1C=CCCC1 34a_100011215024_100000210614 [0,1,0,1,0,0|1,0,0]=3 23459 B14R1.123 CCCCCCCOC1C=CCCC1 7a_100000210272_100000751183 [0,1,0,1,0,0|1,0,0]=3 23460 B14R1.123 CCCCCCCOC1CC=CCC1 34a_100000073881_100000210614 [0,1,0,1,0,0|1,0,1]=4 23461 B14R1.123 CCCCCCCOC1CCCCC1 34a_100000210231_100000210614 [0,1,0,1,0,0|1,0,1]=4 23462 B14R1.123 CCCCCCCOC1CCCCC1 34a_100000210272_100000210327 [0,1,0,1,0,0|1,0,1]=4 23463 B14R1.123 CCCCCCCOC1CCCCC1 7a_100000210231_100000210614 [0,1,0,1,0,0|1,0,1]=4 23464 B14R1.123 CCCCCCCOC1CCCCC1 7a_100000210272_100000210327 [0,1,0,1,0,0|1,0,1]=4 23465 B14R1.123 CCCCCCCOC1CCCCO1 34a_100000033831_100000210614 [0,1,0,1,0,0|0,0,2]=4 23466 B14R1.123 CCCCCCCOC1CCCOC1 34a_100000210272_100000693364 [0,1,0,1,0,0|2,0,0]=4 23467 B14R1.123 CCCCCCCOC1CCCOC1 34a_100000754041_100000210614 [0,1,0,1,0,0|2,0,0]=4 23468 B14R1.123 CCCCCCCOC1CCCOC1 7a_100000210272_100000693364 [0,1,0,1,0,0|2,0,0]=4 23469 B14R1.123 CCCCCCCOC1CCCSC1 7a_100015962668_100000210614 [0,1,0,1,0,0|2,0,0]=4 23470 B14R1.123 CCCCCCCSC1C=CCCC1 62a_100000210614_100000751183 [0,1,0,1,0,0|1,0,0]=3 23471 B14R1.123 CCCCCCCSC1C=CCCC1 62a_100000751183_100000210316 [0,1,0,1,0,0|1,0,0]=3 23472 B14R1.123 CCCCCCCSC1CCCCC1 62a_100000210327_100000210316 [0,1,0,1,0,0|1,0,1]=4 23473 B14R1.123 CCCCCCCSC1CCCCC1 62a_100000210614_100000210327 [0,1,0,1,0,0|1,0,1]=4 23474 B14R1.123 CCCCCCCSC1CCCOC1 62a_100000210614_100000693364 [0,1,0,1,0,0|2,0,0]=4 23475 B14R1.123 CCCCCCNCC1CC=CCC1 270004a_100000210581_100000189434 [0,1,0,1,0,0|1,0,1]=4 23476 B14R1.123 CCCCCCNCC1CCCCC1 2230a_100000210473_100000210314 [0,1,0,1,0,0|1,0,1]=4 23477 B14R1.123 CCCCCCNCC1CCCCC1 2230a_100000210581_100000211423 [0,1,0,1,0,0|1,0,1]=4 23478 B14R1.123 CCCCCCNCC1CCCCC1 269862a_100000210581_100000211278 [0,1,0,1,0,0|1,0,1]=4 23479 B14R1.123 CCCCCCNCC1CCCCC1 34a_100000210473_100000210314 [0,1,0,1,0,0|1,0,1]=4 23480 B14R1.123 CCCCCCNCC1CCCCO1 2230a_100000174945_100000210314 [0,1,0,1,0,0|0,0,2]=4 23481 B14R1.123 CCCCCCNCC1CCCCO1 2230a_100000210581_100000211543 [0,1,0,1,0,0|0,0,2]=4 23482 B14R1.123 CCCCCCNCC1CCCCO1 34a_100000174945_100000210314 [0,1,0,1,0,0|0,0,2]=4 23483 B14R1.123 CCCCCCNCC1CCCOC1 2230a_100000210581_100000741521 [0,1,0,1,0,0|2,0,0]=4 23484 B14R1.123 CCCCCCNCC1CCCOC1 2230a_100000720124_100000210314 [0,1,0,1,0,0|2,0,0]=4 23485 B14R1.123 CCCCCCNCC1CCCOC1 34a_100000720124_100000210314 [0,1,0,1,0,0|2,0,0]=4 23486 B14R1.123 CCCCCCOCC1CC=CCC1 34a_100000210713_100000210314 [0,1,0,1,0,0|1,0,1]=4 23487 B14R1.123 CCCCCCOCC1CCC=CO1 34a_100011217868_100000210314 [0,1,0,1,0,0|0,0,2]=4 23488 B14R1.123 CCCCCCOCC1CCCCC1 34a_100000210259_100000211423 [0,1,0,1,0,0|1,0,1]=4 23489 B14R1.123 CCCCCCOCC1CCCCC1 34a_100000212181_100000210314 [0,1,0,1,0,0|1,0,1]=4 23490 B14R1.123 CCCCCCOCC1CCCCC1 7a_100000210259_100000211423 [0,1,0,1,0,0|1,0,1]=4 23491 B14R1.123 CCCCCCOCC1CCCCC1 7a_100000212181_100000210314 [0,1,0,1,0,0|1,0,1]=4 23492 B14R1.123 CCCCCCOCC1CCCCN1 34a_100000210821_100000210314 [0,1,0,1,0,0|1,0,1]=4 23493 B14R1.123 CCCCCCOCC1CCCCO1 34a_100000210259_100000211543 [0,1,0,1,0,0|0,0,2]=4 23494 B14R1.123 CCCCCCOCC1CCCCO1 34a_100000211370_100000210314 [0,1,0,1,0,0|0,0,2]=4 23495 B14R1.123 CCCCCCOCC1CCCCO1 7a_100000210259_100000211543 [0,1,0,1,0,0|0,0,2]=4 23496 B14R1.123 CCCCCCOCC1CCCCO1 7a_100000211370_100000210314 [0,1,0,1,0,0|0,0,2]=4 23497 B14R1.123 CCCCCCOCC1CCCNC1 34a_100000211344_100000210314 [0,1,0,1,0,0|2,0,0]=4 23498 B14R1.123 CCCCCCOCC1CCCOC1 34a_100000210259_100000741521 [0,1,0,1,0,0|2,0,0]=4 23499 B14R1.123 CCCCCCOCC1CCCOC1 34a_100000741520_100000210314 [0,1,0,1,0,0|2,0,0]=4 23500 B14R1.123 CCCCCCOCC1CCCOC1 7a_100000210259_100000741521 [0,1,0,1,0,0|2,0,0]=4 23501 B14R1.123 CCCCCCSCC1CCCCC1 62a_100000210314_100000211423 [0,1,0,1,0,0|1,0,1]=4 23502 B14R1.123 CCCCCCSCC1CCCCC1 62a_100000211423_100000210757 [0,1,0,1,0,0|1,0,1]=4 23503 B14R1.123 CCCCCCSCC1CCCCO1 62a_100000210314_100000211543 [0,1,0,1,0,0|0,0,2]=4 23504 B14R1.123 CCCCCCSCC1CCCCO1 62a_100000211543_100000210757 [0,1,0,1,0,0|0,0,2]=4 23505 B14R1.123 CCCCCCSCC1CCCOC1 62a_100000210314_100000741521 [0,1,0,1,0,0|2,0,0]=4 23506 B14R1.123 CCCCCCSCC1CCCOC1 62a_100000741521_100000210757 [0,1,0,1,0,0|2,0,0]=4 23507 B14R1.123 CCCCCNCCC1CCCCC1 2230a_100000209983_100012355289 [0,1,0,1,0,0|1,0,1]=4 23508 B14R1.123 CCCCCNCCC1CCCCC1 2230a_100000738074_100000210326 [0,1,0,1,0,0|1,0,1]=4 23509 B14R1.123 CCCCCNCCC1CCCCC1 270004a_100000209983_100011713444 [0,1,0,1,0,0|1,0,1]=4 23510 B14R1.123 CCCCCNCCC1CCCCC1 34a_100000738074_100000718602 [0,1,0,1,0,0|1,0,1]=4 23511 B14R1.123 CCCCCNCCC1CCCCO1 2230a_100015183643_100000210326 [0,1,0,1,0,0|0,0,2]=4 23512 B14R1.123 CCCCCNCCC1CCCCO1 34a_100015183643_100000718602 [0,1,0,1,0,0|0,0,2]=4 23513 B14R1.123 CCCCCOCCC1CCCCC1 34a_100000210253_100011209188 [0,1,0,1,0,0|1,0,1]=4 23514 B14R1.123 CCCCCOCCC1CCCCC1 34a_100011217863_100000718602 [0,1,0,1,0,0|1,0,1]=4 23515 B14R1.123 CCCCCOCCC1CCCCC1 7a_100000210253_100011273959 [0,1,0,1,0,0|1,0,1]=4 23516 B14R1.123 CCCCCOCCC1CCCCC1 7a_100011217863_100000210326 [0,1,0,1,0,0|1,0,1]=4 23517 B14R1.123 CCCCCOCCC1CCCCN1 34a_100000211664_100000718602 [0,1,0,1,0,0|1,0,1]=4 23518 B14R1.123 CCCCCOCCC1CCCNC1 34a_100000752241_100000718602 [0,1,0,1,0,0|2,0,0]=4 23519 B14R1.123 CCCCCSCCC1CCCCC1 62a_100000210326_100012355289 [0,1,0,1,0,0|1,0,1]=4 23520 B14R1.123 CCCCCSCCC1CCCCC1 62a_100012355289_100000210326 [0,1,0,1,0,0|1,0,1]=4 23521 B14R1.123 CCCCNCCCC1CCCCC1 2230a_100000102301_100011713725 [0,1,0,1,0,0|1,0,1]=4 23522 B14R1.123 CCCCNCCCC1CCCCC1 2230a_100011211642_100000210211 [0,1,0,1,0,0|1,0,1]=4 23523 B14R1.123 CCCCNCCCC1CCCCC1 34a_100011211642_100000210210 [0,1,0,1,0,0|1,0,1]=4 23524 B14R1.123 CCCCNCCCC1CCCCC1 7a_106832991798_100011713725 [0,1,0,1,0,0|1,0,1]=4 23525 B14R1.123 CCCCOCCCC1CCCCC1 34a_100000198086_100000210210 [0,1,0,1,0,0|1,0,1]=4 23526 B14R1.123 CCCCOCCCC1CCCCC1 34a_100000210227_100011713725 [0,1,0,1,0,0|1,0,1]=4 23527 B14R1.123 CCCCOCCCC1CCCCC1 7a_100000198086_100000210211 [0,1,0,1,0,0|1,0,1]=4 23528 B14R1.123 CCCCOCCCC1CCCCC1 7a_100000210227_100011713725 [0,1,0,1,0,0|1,0,1]=4 23529 B14R1.123 CCCCOCCCC1CCCCN1 34a_100011934581_100000210210 [0,1,0,1,0,0|1,0,1]=4 23530 B14R1.123 CCCCOCCCC1CCCNC1 34a_100150707839_100000210210 [0,1,0,1,0,0|2,0,0]=4 23531 B14R1.123 CCCCOCCOC1C=CCCC1 34a_100011215024_100000743108 [0,1,0,1,0,0|2,0,0]=4 23532 B14R1.123 CCCCOCCOC1C=CCCC1 7a_100000210238_100000751183 [0,1,0,1,0,0|2,0,0]=4 23533 B14R1.123 CCCCOCCSC1C=CCCC1 62a_100000743108_100000751183 [0,1,0,1,0,0|2,0,0]=4 23534 B14R1.123 CCCCOCCSC1C=CCCC1 62a_100000751183_100000743108 [0,1,0,1,0,0|2,0,0]=4 23535 B14R1.123 CCCCSCCCC1CCCCC1 62a_100000210211_100011713725 [0,1,0,1,0,0|1,0,1]=4 23536 B14R1.123 CCCCSCCCC1CCCCC1 62a_100011713725_100000210210 [0,1,0,1,0,0|1,0,1]=4 23537 B14R1.123 CCCCSCCNC1C=CCCC1 2230a_100025743550_100000751183 [0,1,0,1,0,0|2,0,0]=4 23538 B14R1.123 CCCCSCCOC1C=CCCC1 7a_200000230436_100000751183 [0,1,0,1,0,0|2,0,0]=4 23539 B14R1.123 CCCOCCCCC1CCCCC1 34a_100011215267_100000210303 [0,1,0,1,0,0|1,0,1]=4 23540 B14R1.123 CCCOCCCCC1CCCCC1 7a_100011215267_100000210303 [0,1,0,1,0,0|1,0,1]=4 23541 B14R1.123 CCCOCCCNC1C=CCCC1 2230a_100011217757_100000751183 [0,1,0,1,0,0|2,0,0]=4 23542 B14R1.123 CNCCCCCOC1CCCCC1 34a_100000722520_100000210327 [0,1,0,1,0,0|2,0,0]=4 23543 B14R1.123 CNCCCOCCC1CCCCC1 34a_100000213112_100011209188 [0,1,0,1,0,0|2,0,0]=4 23544 B14R1.123 COCCCCCNC1C=CCCC1 2230a_100000747528_100000751183 [0,1,0,1,0,0|2,0,0]=4 23545 B14R1.123 COCCCCCNC1CCCCC1 270004a_100000747528_100000210434 [0,1,0,1,0,0|2,0,0]=4 23546 B14R1.123 COCCCCCNC1CCCCC1 34a_100000747528_100000210327 [0,1,0,1,0,0|2,0,0]=4 23547 B14R1.123 COCCCCNCC1CCCCC1 2230a_100000210473_100000730899 [0,1,0,1,0,0|2,0,0]=4 23548 B14R1.123 COCCCCNCC1CCCCC1 34a_100000210473_100000755781 [0,1,0,1,0,0|2,0,0]=4 23549 B14R1.123 COCCCCOCC1CCCCC1 34a_100000212181_100000755781 [0,1,0,1,0,0|2,0,0]=4 23550 B14R1.123 COCCCCOCC1CCCCC1 34a_100000740925_100000211423 [0,1,0,1,0,0|2,0,0]=4 23551 B14R1.123 COCCCCOCC1CCCCC1 7a_100000212181_100000730899 [0,1,0,1,0,0|2,0,0]=4 23552 B14R1.123 COCCCCSCC1CCCCC1 62a_100000211423_100000730899 [0,1,0,1,0,0|2,0,0]=4 23553 B14R1.123 COCCCCSCC1CCCCC1 62a_100000730899_100000211423 [0,1,0,1,0,0|2,0,0]=4 23554 B14R1.123 COCCCNCCC1CCCCC1 2230a_100000738074_100000740836 [0,1,0,1,0,0|2,0,0]=4 23555 B14R1.123 COCCCNCCC1CCCCC1 270004a_100150723488_100011713444 [0,1,0,1,0,0|2,0,0]=4 23556 B14R1.123 COCCCNCCC1CCCCC1 34a_100000738074_100000740836 [0,1,0,1,0,0|2,0,0]=4 23557 B14R1.123 COCCCNCCC1CCCCC1 34a_100150723488_100011209188 [0,1,0,1,0,0|2,0,0]=4 23558 B14R1.123 COCCCOCCC1CCCCC1 34a_100000740835_100011209188 [0,1,0,1,0,0|2,0,0]=4 23559 B14R1.123 COCCCOCCC1CCCCC1 34a_100011217863_100000740836 [0,1,0,1,0,0|2,0,0]=4 23560 B14R1.123 COCCCOCCC1CCCCC1 7a_100011217863_100000740836 [0,1,0,1,0,0|2,0,0]=4 23561 B14R1.123 COCCCSCCC1CCCCC1 62a_100000709357_100012355289 [0,1,0,1,0,0|2,0,0]=4 23562 B14R1.123 COCCCSCCC1CCCCC1 62a_100012355289_100000709357 [0,1,0,1,0,0|2,0,0]=4 23563 B14R1.123 COCCNCCCC1CCCCC1 2230a_100000209980_100011713725 [0,1,0,1,0,0|2,0,0]=4 23564 B14R1.123 COCCNCCCC1CCCCC1 2230a_100011211642_100011201679 [0,1,0,1,0,0|2,0,0]=4 23565 B14R1.123 COCCNCCCC1CCCCC1 34a_100011211642_100011201679 [0,1,0,1,0,0|2,0,0]=4 23566 B14R1.123 COCCOCCCC1CCCCC1 34a_100000198086_100011201679 [0,1,0,1,0,0|2,0,0]=4 23567 B14R1.123 COCCOCCCC1CCCCC1 34a_100000210237_100011713725 [0,1,0,1,0,0|2,0,0]=4 23568 B14R1.123 COCCOCCCC1CCCCC1 7a_100000198086_100000233755 [0,1,0,1,0,0|2,0,0]=4 23569 B14R1.123 COCCSCCCC1CCCCC1 62a_100000233755_100011713725 [0,1,0,1,0,0|2,0,0]=4 23570 B14R1.123 COCCSCCCC1CCCCC1 62a_100011713725_100000233755 [0,1,0,1,0,0|2,0,0]=4 23571 B14R1.123 CSCCCCOCC1CCCCC1 34a_100011217163_100000211423 [0,1,0,1,0,0|2,0,0]=4 23572 B14R1.123 CSCCCCOCC1CCCCC1 7a_100011217163_100000211423 [0,1,0,1,0,0|2,0,0]=4 23573 B14R1.123 CSCCCNCCC1CCCCC1 2230a_100000749238_100012355289 [0,1,0,1,0,0|2,0,0]=4 23574 B14R1.123 CSCCCNCCC1CCCCC1 270004a_100000749238_100011713444 [0,1,0,1,0,0|2,0,0]=4 23575 B14R1.123 CSCCCOCCC1CCCCC1 34a_100000690336_100011209188 [0,1,0,1,0,0|2,0,0]=4 23576 B14R1.123 CSCCCOCCC1CCCCC1 7a_100000690336_100011273959 [0,1,0,1,0,0|2,0,0]=4 23577 B14R1.123 CSCCNCCCC1CCCCC1 2230a_100011211642_100000751147 [0,1,0,1,0,0|2,0,0]=4 23578 B14R1.123 CSCCNCCCC1CCCCC1 2230a_100020590264_100011713725 [0,1,0,1,0,0|2,0,0]=4 23579 B14R1.123 CSCCNCCCC1CCCCC1 34a_100011211642_100000212216 [0,1,0,1,0,0|2,0,0]=4 23580 B14R1.123 CSCCOCCCC1CCCCC1 34a_100000198086_100000212216 [0,1,0,1,0,0|2,0,0]=4 23581 B14R1.123 CSCCOCCCC1CCCCC1 34a_100000230434_100011713725 [0,1,0,1,0,0|2,0,0]=4 23582 B14R1.123 CSCCOCCCC1CCCCC1 7a_100000198086_100000212216 [0,1,0,1,0,0|2,0,0]=4 23583 B14R1.123 CSCCOCCCC1CCCCC1 7a_100000230434_100011713725 [0,1,0,1,0,0|2,0,0]=4 23584 B14R1.123 CSCCSCCCC1CCCCC1 62a_100000212216_100011713725 [0,1,0,1,0,0|2,0,0]=4 23585 B14R1.123 CSCCSCCCC1CCCCC1 62a_100011713725_100000751147 [0,1,0,1,0,0|2,0,0]=4 23586 B14R1.123 CSCOCCCCC1CCCCC1 34a_100011215267_100011218213 [0,1,0,1,0,0|2,0,0]=4 23587 B14R1.123 ClCCCCCCOC1C=CCCC1 7a_100000766143_100000751183 [0,1,0,1,0,0|2,0,0]=4 23588 B14R1.123 ClCCCCCCOC1CCCCC1 34a_100000766143_100000210327 [0,1,0,1,0,0|1,0,1]=4 23589 B14R1.123 ClCCCCCCOC1CCCCC1 7a_100000766143_100000210327 [0,1,0,1,0,0|1,0,1]=4 23590 B14R1.123 ClCCCCCOCC1CCCCC1 34a_100000746330_100000211423 [0,1,0,1,0,0|1,0,1]=4 23591 B14R1.123 ClCCCCCOCC1CCCCC1 7a_100000746330_100000211423 [0,1,0,1,0,0|1,0,1]=4 23592 B14R1.123 ClCCCCOCCC1CCCCC1 34a_100000210776_100011209188 [0,1,0,1,0,0|1,0,1]=4 23593 B14R1.123 ClCCCCOCCC1CCCCC1 7a_100000210776_100011273959 [0,1,0,1,0,0|1,0,1]=4 23594 B14R1.123 ClCCCOCCCC1CCCCC1 34a_100000230001_100011713725 [0,1,0,1,0,0|1,0,1]=4 23595 B14R1.123 FCCCCCCNC1CCCCC1 2230a_100000182618_100015922095 [0,1,0,1,0,0|1,0,1]=4 23596 B14R1.123 FCCCCCCNC1CCCCC1 34a_100000182618_100015922095 [0,1,0,1,0,0|1,0,1]=4 23597 B14R1.123 FCCCCCCOC1C=CCCC1 34a_100011215024_100015922095 [0,1,0,1,0,0|2,0,0]=4 23598 B14R1.123 FCCCCCCOC1C=CCCC1 7a_100000732779_100000751183 [0,1,0,1,0,0|2,0,0]=4 23599 B14R1.123 FCCCCCCOC1CCCCC1 34a_100000210231_100015922095 [0,1,0,1,0,0|1,0,1]=4 23600 B14R1.123 FCCCCCCOC1CCCCC1 34a_100000732779_100000210327 [0,1,0,1,0,0|1,0,1]=4 23601 B14R1.123 FCCCCCCOC1CCCCC1 7a_100000210231_100015922095 [0,1,0,1,0,0|1,0,1]=4 23602 B14R1.123 FCCCCCCOC1CCCCC1 7a_100000732779_100000210327 [0,1,0,1,0,0|1,0,1]=4 23603 B14R1.123 FCCCCCCSC1C=CCCC1 62a_100000751183_100015922095 [0,1,0,1,0,0|2,0,0]=4 23604 B14R1.123 FCCCCCCSC1C=CCCC1 62a_100015922095_100000751183 [0,1,0,1,0,0|2,0,0]=4 23605 B14R1.123 FCCCCCCSC1CCCCC1 62a_100000210327_100015922095 [0,1,0,1,0,0|1,0,1]=4 23606 B14R1.123 FCCCCCCSC1CCCCC1 62a_100015922095_100000210327 [0,1,0,1,0,0|1,0,1]=4 23607 B14R1.123 FCCCCCNCC1CCCCC1 2230a_100000210473_100000729378 [0,1,0,1,0,0|1,0,1]=4 23608 B14R1.123 FCCCCCNCC1CCCCC1 34a_100000210473_100000729378 [0,1,0,1,0,0|1,0,1]=4 23609 B14R1.123 FCCCCCOCC1CCCCC1 34a_100000212181_100000729378 [0,1,0,1,0,0|1,0,1]=4 23610 B14R1.123 FCCCCCOCC1CCCCC1 7a_100000212181_100000729378 [0,1,0,1,0,0|1,0,1]=4 23611 B14R1.123 FCCCCCSCC1CCCCC1 62a_100000211423_100000729378 [0,1,0,1,0,0|1,0,1]=4 23612 B14R1.123 FCCCCCSCC1CCCCC1 62a_100000729378_100000211423 [0,1,0,1,0,0|1,0,1]=4 23613 B14R1.123 FCCCCNCCC1CCCCC1 2230a_100000738074_100000729493 [0,1,0,1,0,0|1,0,1]=4 23614 B14R1.123 FCCCCNCCC1CCCCC1 34a_100000738074_100000729493 [0,1,0,1,0,0|1,0,1]=4 23615 B14R1.123 FCCCCOCCC1CCCCC1 34a_100011217863_100000729493 [0,1,0,1,0,0|1,0,1]=4 23616 B14R1.123 FCCCCOCCC1CCCCC1 34a_100011995726_100011209188 [0,1,0,1,0,0|1,0,1]=4 23617 B14R1.123 FCCCCOCCC1CCCCC1 7a_100011217863_100000729493 [0,1,0,1,0,0|1,0,1]=4 23618 B14R1.123 FCCCCOCCC1CCCCC1 7a_100011995726_100011273959 [0,1,0,1,0,0|1,0,1]=4 23619 B14R1.123 FCCCCSCCC1CCCCC1 62a_100000729493_100012355289 [0,1,0,1,0,0|1,0,1]=4 23620 B14R1.123 FCCCCSCCC1CCCCC1 62a_100012355289_100000729493 [0,1,0,1,0,0|1,0,1]=4 23621 B14R1.123 FCCCNCCCC1CCCCC1 2230a_100011211642_100011934791 [0,1,0,1,0,0|1,0,1]=4 23622 B14R1.123 FCCCNCCCC1CCCCC1 2230a_100015189416_100011713725 [0,1,0,1,0,0|1,0,1]=4 23623 B14R1.123 FCCCNCCCC1CCCCC1 34a_100011211642_100011934791 [0,1,0,1,0,0|1,0,1]=4 23624 B14R1.123 FCCCNCCCC1CCCCC1 34a_100015189416_100011713725 [0,1,0,1,0,0|1,0,1]=4 23625 B14R1.123 FCCCOCCCC1CCCCC1 34a_100000198086_100011934791 [0,1,0,1,0,0|1,0,1]=4 23626 B14R1.123 FCCCOCCCC1CCCCC1 34a_100000759539_100011713725 [0,1,0,1,0,0|1,0,1]=4 23627 B14R1.123 FCCCOCCCC1CCCCC1 7a_100000198086_100011934791 [0,1,0,1,0,0|1,0,1]=4 23628 B14R1.123 FCCCSCCCC1CCCCC1 62a_100011713725_100011934791 [0,1,0,1,0,0|1,0,1]=4 23629 B14R1.123 FCCCSCCCC1CCCCC1 62a_100011934791_100011713725 [0,1,0,1,0,0|1,0,1]=4 23630 B14R1.123 FCCOCCCCC1CCCCC1 34a_100011215267_100011217306 [0,1,0,1,0,0|1,0,1]=4 23631 B14R1.123 FCCOCCCCC1CCCCC1 7a_100011215267_100011217306 [0,1,0,1,0,0|1,0,1]=4 23632 B14R1.123 ICCCCCOCC1CCCCC1 34a_200012148887_100000211423 [0,1,0,1,0,0|1,0,1]=4 23633 B14R1.123 ICCCCCOCC1CCCCC1 7a_200012148887_100000211423 [0,1,0,1,0,0|1,0,1]=4 23634 B14R1.123 ICCCCOCCC1CCCCC1 34a_200012148704_100011209188 [0,1,0,1,0,0|1,0,1]=4 23635 B14R1.123 N#CCCCCCNC1CCCCC1 2230a_100000182618_100009813376 [0,1,0,1,0,0|1,0,1]=4 23636 B14R1.123 N#CCCCCCNC1CCCCC1 270004a_100000061152_100000210434 [0,1,0,1,0,0|1,0,1]=4 23637 B14R1.123 N#CCCCCCOC1CCCCC1 7a_100000210231_100009813376 [0,1,0,1,0,0|1,0,1]=4 23638 B14R1.123 N#CCCCCCSC1CCCCC1 62a_100000210327_100009813376 [0,1,0,1,0,0|1,0,1]=4 23639 B14R1.123 N#CCCCCCSC1CCCCC1 62a_100009813376_100000210327 [0,1,0,1,0,0|1,0,1]=4 23640 B14R1.123 N#CCCCCNCC1CCCCC1 2230a_100000210473_100000211819 [0,1,0,1,0,0|1,0,1]=4 23641 B14R1.123 N#CCCCCOCC1CCCCC1 7a_100000212181_100000211819 [0,1,0,1,0,0|1,0,1]=4 23642 B14R1.123 N#CCCCCSCC1CCCCC1 62a_100000211423_100000211819 [0,1,0,1,0,0|1,0,1]=4 23643 B14R1.123 N#CCCCCSCC1CCCCC1 62a_100011219923_100000211423 [0,1,0,1,0,0|1,0,1]=4 23644 B14R1.123 N#CCCCNCCC1CCCCC1 2230a_100000738074_100000687738 [0,1,0,1,0,0|1,0,1]=4 23645 B14R1.123 N#CCCCOCCC1CCCCC1 7a_100011217863_100000687738 [0,1,0,1,0,0|1,0,1]=4 23646 B14R1.123 N#CCCCSCCC1CCCCC1 62a_100000687738_100012355289 [0,1,0,1,0,0|1,0,1]=4 23647 B14R1.123 N#CCCCSCCC1CCCCC1 62a_100012355289_100000687738 [0,1,0,1,0,0|1,0,1]=4 23648 B14R1.123 N#CCCNCCCC1CCCCC1 2230a_100011211642_100011215226 [0,1,0,1,0,0|1,0,1]=4 23649 B14R1.123 N#CCCOCCCC1CCCCC1 7a_100000198086_100000184422 [0,1,0,1,0,0|1,0,1]=4 23650 B14R1.123 N#CCCSCCCC1CCCCC1 62a_100011215226_100011713725 [0,1,0,1,0,0|1,0,1]=4 23651 B14R1.123 N#CCCSCCCC1CCCCC1 62a_100011713725_100011215226 [0,1,0,1,0,0|1,0,1]=4 23652 B14R1.123 N#CCOCCCCC1CCCCC1 7a_100011215267_100011215382 [0,1,0,1,0,0|1,0,1]=4 23653 B14R1.123 NCCCCCCOC1CCCCC1 34a_100000686447_100000210327 [0,1,0,1,0,0|1,0,1]=4 23654 B14R1.123 NCCCCCOCC1CCCCC1 34a_100000762737_100000211423 [0,1,0,1,0,0|1,0,1]=4 23655 B14R1.123 NCCCCOCCC1CCCCC1 34a_100000750430_100011209188 [0,1,0,1,0,0|1,0,1]=4 23656 B14R1.123 NCCCOCCCC1CCCCC1 34a_100000182051_100011713725 [0,1,0,1,0,0|1,0,1]=4 23657 B14R1.123 NOCCOCCCC1CCCCC1 34a_100000700252_100011713725 [0,1,0,1,0,0|2,0,0]=4 23658 B14R1.123 O=CCCCCCNC1CCCCC1 2230a_100000182618_100000139337 [0,1,0,1,0,0|0,0,0]=2 23659 B14R1.123 O=CCCCCCNC1CCCOC1 2230a_100000719290_100000139337 [0,1,0,1,0,0|1,0,0]=3 23660 B14R1.123 O=CCCCCCNC1CCOCC1 2230a_100000741149_100000139337 [0,1,0,1,0,0|1,0,0]=3 23661 B14R1.123 O=CCCCCCNC1CCSCC1 2230a_100000748639_100000139337 [0,1,0,1,0,0|1,0,0]=3 23662 B14R1.123 O=CCCCCCOC1CCCCC1 7a_100000210231_100000139337 [0,1,0,1,0,0|0,0,0]=2 23663 B14R1.123 O=CCCCCCOC1CCCSC1 7a_100015962668_100000139337 [0,1,0,1,0,0|1,0,0]=3 23664 B14R1.123 O=CCCCCCOC1CCSCC1 7a_100000731022_100000139337 [0,1,0,1,0,0|1,0,0]=3 23665 B14R1.123 O=CCCCCCSC1C=CCCC1 62a_100000139337_100000751183 [0,1,0,1,0,0|0,0,2]=4 23666 B14R1.123 O=CCCCCCSC1C=CCCC1 62a_100000751183_100000139337 [0,1,0,1,0,0|0,0,2]=4 23667 B14R1.123 O=CCCCCCSC1CCCCC1 62a_100000139337_100000210327 [0,1,0,1,0,0|0,0,0]=2 23668 B14R1.123 O=CCCCCCSC1CCCCC1 62a_100000210327_100000139337 [0,1,0,1,0,0|0,0,0]=2 23669 B14R1.123 O=CCCCCCSC1CCCOC1 62a_100000139337_100000693364 [0,1,0,1,0,0|1,0,0]=3 23670 B14R1.123 O=CCCCCCSC1CCOCC1 62a_100000139337_100011324220 [0,1,0,1,0,0|1,0,0]=3 23671 B14R1.123 O=CCCCCCSC1CCSCC1 62a_100000139337_100000069128 [0,1,0,1,0,0|1,0,0]=3 23672 B14R1.123 O=CCCCCNCC1CCCCC1 2230a_100000210473_100000139335 [0,1,0,1,0,0|0,0,0]=2 23673 B14R1.123 O=CCCCCNCC1CCCCO1 2230a_100000174945_100000139335 [0,1,0,1,0,0|1,0,0]=3 23674 B14R1.123 O=CCCCCNCC1CCCOC1 2230a_100000720124_100000139335 [0,1,0,1,0,0|1,0,0]=3 23675 B14R1.123 O=CCCCCNCC1CCOCC1 2230a_100000746373_100000139335 [0,1,0,1,0,0|1,0,0]=3 23676 B14R1.123 O=CCCCCNCC1CCSCC1 2230a_100015188806_100000139335 [0,1,0,1,0,0|1,0,0]=3 23677 B14R1.123 O=CCCCCNC[C@H]1COCCO1 2230a_100010981119_100000139335 [0,1,0,1,0,0|2,0,0]=4 23678 B14R1.123 O=CCCCCOCC1CCCCC1 7a_100000212181_100000139335 [0,1,0,1,0,0|0,0,0]=2 23679 B14R1.123 O=CCCCCOCC1CCCCO1 7a_100000211370_100000139335 [0,1,0,1,0,0|1,0,0]=3 23680 B14R1.123 O=CCCCCOCC1CCSCC1 7a_100000070558_100000139335 [0,1,0,1,0,0|1,0,0]=3 23681 B14R1.123 O=CCCCCSCC1CCCCC1 62a_100000139335_100000211423 [0,1,0,1,0,0|0,0,0]=2 23682 B14R1.123 O=CCCCCSCC1CCCCC1 62a_100000211423_100000139335 [0,1,0,1,0,0|0,0,0]=2 23683 B14R1.123 O=CCCCCSCC1CCCCO1 62a_100000139335_100000211543 [0,1,0,1,0,0|1,0,0]=3 23684 B14R1.123 O=CCCCCSCC1CCCCO1 62a_100000211543_100000139335 [0,1,0,1,0,0|1,0,0]=3 23685 B14R1.123 O=CCCCCSCC1CCCOC1 62a_100000139335_100000741521 [0,1,0,1,0,0|1,0,0]=3 23686 B14R1.123 O=CCCCCSCC1CCCOC1 62a_100000741521_100000139335 [0,1,0,1,0,0|1,0,0]=3 23687 B14R1.123 O=CCCCCSCC1CCOCC1 62a_100000139335_100000749018 [0,1,0,1,0,0|1,0,0]=3 23688 B14R1.123 O=CCCCCSCC1CCOCC1 62a_100000754603_100000139335 [0,1,0,1,0,0|1,0,0]=3 23689 B14R1.123 O=CCCCNCCC1=CCCCC1 2230a_100000212019_200011292268 [0,1,0,1,0,0|0,0,2]=4 23690 B14R1.123 O=CCCCNCCC1CCCCC1 2230a_100000738074_200011292268 [0,1,0,1,0,0|0,0,0]=2 23691 B14R1.123 O=CCCCNCCC1CCCCO1 2230a_100015183643_200011292268 [0,1,0,1,0,0|1,0,0]=3 23692 B14R1.123 O=CCCCNCCC1CCOCC1 2230a_100000755988_200011292268 [0,1,0,1,0,0|1,0,0]=3 23693 B14R1.123 O=CCCCNCCN1CCSCC1 2230a_100000755026_200011292268 [0,1,0,1,0,0|2,0,0]=4 23694 B14R1.123 O=CCCCOCCC1CCCCC1 7a_100011217863_200011292268 [0,1,0,1,0,0|0,0,0]=2 23695 B14R1.123 O=CCCCOCCC1CCOCC1 7a_100011933979_200011292268 [0,1,0,1,0,0|1,0,0]=3 23696 B14R1.123 O=CCCCOCCC1SCCCS1 7a_200011025297_200011292268 [0,1,0,1,0,0|2,0,0]=4 23697 B14R1.123 O=CCCCOCCN1CCSCC1 7a_100000686052_200011292268 [0,1,0,1,0,0|2,0,0]=4 23698 B14R1.123 O=CCCCSCCC1CCCCC1 62a_100012355289_200011292268 [0,1,0,1,0,0|0,0,0]=2 23699 B14R1.123 O=CCCCSCCC1CCCCC1 62a_200011292268_100012355289 [0,1,0,1,0,0|0,0,0]=2 23700 B14R1.123 O=CCCCSCCC1CCOCC1 62a_100011934994_200011292268 [0,1,0,1,0,0|1,0,0]=3 23701 B14R1.123 O=CCCCSCCC1CCOCC1 62a_200011292268_100011934994 [0,1,0,1,0,0|1,0,0]=3 23702 B14R1.123 O=CCCCSCCC1OCCCO1 62a_100000764188_200011292268 [0,1,0,1,0,0|2,0,0]=4 23703 B14R1.123 O=CCCCSCCC1OCCCO1 62a_200011292268_100000764188 [0,1,0,1,0,0|2,0,0]=4 23704 B14R1.123 O=CCCCSCCN1CCCCC1 62a_100000739454_200011292268 [0,1,0,1,0,0|1,0,0]=3 23705 B14R1.123 O=CCCCSCCN1CCCCC1 62a_200011292268_100000739454 [0,1,0,1,0,0|1,0,0]=3 23706 B14R1.123 O=CCCCSCCN1CCOCC1 62a_200011292268_100000211760 [0,1,0,1,0,0|2,0,0]=4 23707 B14R1.123 O=CCCCSCOC1CCCCC1 62a_100011935260_200011292268 [0,1,0,1,0,0|1,0,0]=3 23708 B14R1.123 O=CCCCSCOC1CCCCC1 62a_200011292268_100011935260 [0,1,0,1,0,0|1,0,0]=3 23709 B14R1.123 O=CCNCCCOC1CCCCC1 34a_100000205933_200009817547 [0,1,0,1,0,0|1,0,0]=3 23710 B14R1.123 O=CCOCCCCC1CCCCC1 34a_100011215267_200009817547 [0,1,0,1,0,0|0,0,0]=2 23711 B14R1.123 O=CCOCCCCC1CCCCC1 7a_100011215267_200015260668 [0,1,0,1,0,0|0,0,0]=2 23712 B14R1.123 O=CCOCCCCC1CCNCC1 34a_100016989291_200009817547 [0,1,0,1,0,0|1,0,0]=3 23713 B14R1.123 O=CCOCCCCN1CCOCC1 34a_100000723369_200009817547 [0,1,0,1,0,0|2,0,0]=4 23714 B14R1.123 O=CCSCCCOC1CCCCO1 62a_100000700653_200015260668 [0,1,0,1,0,0|2,0,0]=4 23715 B14R1.123 O=CCSCCCOC1CCCCO1 62a_200015260668_100000700653 [0,1,0,1,0,0|2,0,0]=4 23716 B14R1.123 OCCCCCCNC1C=CCCC1 2230a_100000686447_100000751183 [0,1,0,1,0,0|2,0,0]=4 23717 B14R1.123 OCCCCCCNC1CCCCC1 2230a_100000182618_100000766143 [0,1,0,1,0,0|0,0,2]=4 23718 B14R1.123 OCCCCCCNC1CCCCC1 270004a_100000686447_100000210434 [0,1,0,1,0,0|0,0,2]=4 23719 B14R1.123 OCCCCCCNC1CCCCC1 34a_100000182618_100000766143 [0,1,0,1,0,0|0,0,2]=4 23720 B14R1.123 OCCCCCCNC1CCCCC1 34a_100000686447_100000210327 [0,1,0,1,0,0|0,0,2]=4 23721 B14R1.123 OCCCCCCOC1C=CCCC1 34a_100011215024_100000766143 [0,1,0,1,0,0|2,0,0]=4 23722 B14R1.123 OCCCCCCOC1CCCCC1 34a_100000210231_100000766143 [0,1,0,1,0,0|0,0,2]=4 23723 B14R1.123 OCCCCCCOC1CCCCC1 7a_100000210231_100000766143 [0,1,0,1,0,0|0,0,2]=4 23724 B14R1.123 OCCCCCCSC1C=CCCC1 62a_100000751183_100000766143 [0,1,0,1,0,0|2,0,0]=4 23725 B14R1.123 OCCCCCCSC1C=CCCC1 62a_100000766143_100000751183 [0,1,0,1,0,0|2,0,0]=4 23726 B14R1.123 OCCCCCCSC1CCCCC1 62a_100000210327_100000766143 [0,1,0,1,0,0|0,0,2]=4 23727 B14R1.123 OCCCCCCSC1CCCCC1 62a_100000766143_100000210327 [0,1,0,1,0,0|0,0,2]=4 23728 B14R1.123 OCCCCCNCC1CCCCC1 2230a_100000210473_100000746330 [0,1,0,1,0,0|0,0,2]=4 23729 B14R1.123 OCCCCCNCC1CCCCC1 2230a_100000762737_100000211423 [0,1,0,1,0,0|0,0,2]=4 23730 B14R1.123 OCCCCCNCC1CCCCC1 269862a_100000762737_100000211278 [0,1,0,1,0,0|0,0,2]=4 23731 B14R1.123 OCCCCCNCC1CCCCC1 34a_100000210473_100000746330 [0,1,0,1,0,0|0,0,2]=4 23732 B14R1.123 OCCCCCNCC1CCCCC1 34a_100000762737_100000211423 [0,1,0,1,0,0|0,0,2]=4 23733 B14R1.123 OCCCCCOCC1CCCCC1 34a_100000212181_100000746330 [0,1,0,1,0,0|0,0,2]=4 23734 B14R1.123 OCCCCCOCC1CCCCC1 7a_100000212181_100000746330 [0,1,0,1,0,0|0,0,2]=4 23735 B14R1.123 OCCCCCSCC1CCCCC1 62a_100000211423_100000746330 [0,1,0,1,0,0|0,0,2]=4 23736 B14R1.123 OCCCCCSCC1CCCCC1 62a_100000746330_100000211423 [0,1,0,1,0,0|0,0,2]=4 23737 B14R1.123 OCCCCNCCC1CCCCC1 2230a_100000738074_100000210776 [0,1,0,1,0,0|0,0,2]=4 23738 B14R1.123 OCCCCNCCC1CCCCC1 2230a_100000750430_100012355289 [0,1,0,1,0,0|0,0,2]=4 23739 B14R1.123 OCCCCNCCC1CCCCC1 270004a_100000750430_100011713444 [0,1,0,1,0,0|0,0,2]=4 23740 B14R1.123 OCCCCNCCC1CCCCC1 34a_100000738074_100011216708 [0,1,0,1,0,0|0,0,2]=4 23741 B14R1.123 OCCCCNCCC1CCCCC1 34a_100000750430_100011209188 [0,1,0,1,0,0|0,0,2]=4 23742 B14R1.123 OCCCCOCCC1CCCCC1 34a_100011217863_100011216708 [0,1,0,1,0,0|0,0,2]=4 23743 B14R1.123 OCCCCOCCC1CCCCC1 7a_100011217863_100000210776 [0,1,0,1,0,0|0,0,2]=4 23744 B14R1.123 OCCCCSCCC1CCCCC1 62a_100000210776_100012355289 [0,1,0,1,0,0|0,0,2]=4 23745 B14R1.123 OCCCCSCCC1CCCCC1 62a_100012355289_100000210776 [0,1,0,1,0,0|0,0,2]=4 23746 B14R1.123 OCCCNCCCC1CCCCC1 2230a_100011211642_100000230001 [0,1,0,1,0,0|0,0,2]=4 23747 B14R1.123 OCCCNCCCC1CCCCC1 34a_100011211642_100000230001 [0,1,0,1,0,0|0,0,2]=4 23748 B14R1.123 OCCCOCCCC1CCCCC1 34a_100000198086_100000230001 [0,1,0,1,0,0|0,0,2]=4 23749 B14R1.123 OCCCOCCCC1CCCCC1 7a_100000198086_100011215043 [0,1,0,1,0,0|0,0,2]=4 23750 B14R1.123 OCCCSCCCC1CCCCC1 62a_100011215043_100011713725 [0,1,0,1,0,0|0,0,2]=4 23751 B14R1.123 OCCCSCCCC1CCCCC1 62a_100011713725_100011215043 [0,1,0,1,0,0|0,0,2]=4 23752 B14R1.123 OCCOCCCCC1CCCCC1 34a_100011215267_100000211926 [0,1,0,1,0,0|0,0,2]=4 23753 B14R1.123 OCCOCCCCC1CCCCC1 7a_100011215267_100000211926 [0,1,0,1,0,0|0,0,2]=4 23754 B14R1.156 C=CCCC(=O)CCC1CCCCC1 1458a_100000211375_100000754431 [0,1,0,1,0,0|1,0,1]=4 23755 B14R1.156 C=CCCC(=O)CCC1CCCCC1 1458a_100000749702_100011273959 [0,1,0,1,0,0|1,0,1]=4 23756 B14R1.156 C=CCCC(C)NCC1CCCCC1 270004a_100000210473_100000762624 [0,1,0,1,0,0|2,0,0]=4 23757 B14R1.156 C=CCCC(C)OCC1CCCCC1 34a_100000765329_100000211423 [0,1,0,1,0,0|2,0,0]=4 23758 B14R1.156 C=CCCC(C)OCC1CCCCC1 7a_100000765329_100000211423 [0,1,0,1,0,0|2,0,0]=4 23759 B14R1.156 C=CCCN(C)CCC1CCCCC1 2230a_100020639649_100012355289 [0,1,0,1,0,0|2,0,0]=4 23760 B14R1.156 C=CCCN(C)CCC1CCCCC1 269982a_100020639649_100011273959 [0,1,0,1,0,0|2,0,0]=4 23761 B14R1.156 C=CCCN(C)CCC1CCCCC1 270004a_100020639649_100011713444 [0,1,0,1,0,0|2,0,0]=4 23762 B14R1.156 CC(CNC1CCCCC1)OCC=O 34a_100000202029_200009817547 [0,1,0,1,0,0|2,0,0]=4 23763 B14R1.156 CCCCC(C)COC1C=CCCC1 7a_100011995851_100000751183 [0,1,0,1,0,0|2,0,0]=4 23764 B14R1.177 C=CCCC(=O)CCCC1CCCC1 1458a_100000749702_100011713738 [0,1,0,1,0,0|1,0,1]=4 23765 B14R1.177 C=CCCC(C)NCCC1CCCC1 270004a_100000739158_100000762624 [0,1,0,1,0,0|2,0,0]=4 23766 B14R1.177 C=CCCC(C)OCCC1CCCC1 34a_100000765329_100000760354 [0,1,0,1,0,0|2,0,0]=4 23767 B14R1.177 C=CCCC(C)OCCC1CCCC1 7a_100000765329_100000760354 [0,1,0,1,0,0|2,0,0]=4 23768 B14R1.177 C=CCCN(C)CCCC1CCCC1 2230a_100015186261_100000754431 [0,1,0,1,0,0|2,0,0]=4 23769 B14R1.177 C=CCCN(C)CCCC1CCCC1 2230a_100020639649_100011713738 [0,1,0,1,0,0|2,0,0]=4 23770 B14R1.177 C=CCCN(C)CCCC1CCCC1 269982a_100015186261_100000754431 [0,1,0,1,0,0|2,0,0]=4 23771 B14R1.177 C=CCCN(C)CCCC1CCCC1 269982a_100020639649_100011713738 [0,1,0,1,0,0|2,0,0]=4 23772 B14R1.177 C=CCCN(C)CCCC1CCCC1 34a_100015186261_100000754431 [0,1,0,1,0,0|2,0,0]=4 23773 B14R1.218 C=CCCCNC1CC(CCC1C)C 269862a_100000700776_100000034887 [0,1,0,1,0,0|2,0,0]=4 23774 B14R1.218 C=CCCCNC1CC(CCC1C)C 270004a_100000700776_100000034887 [0,1,0,1,0,0|2,0,0]=4 23775 B14R1.218 C=CCCCOC1CC(CCC1C)C 34a_100011217446_100000757094 [0,1,0,1,0,0|2,0,0]=4 23776 B14R1.218 C=CCCCOC1CC(CCC1C)C 7a_100011217446_100000757094 [0,1,0,1,0,0|2,0,0]=4 23777 B14R1.218 CC1CCC(C(C1)OCCCC=O)C 7a_100011217446_200011292268 [0,1,0,1,0,0|1,0,0]=3 23778 B14R1.218 C[C@@H]1CN([C@@H](CO1)C)CCCCC=O 2230a_100016991869_100000139335 [0,1,0,1,0,0|2,0,0]=4 23779 B14R1.218 C[C@@H]1CN([C@@H](CO1)C)CCCCC=O 269982a_100016991869_100000139335 [0,1,0,1,0,0|2,0,0]=4 23780 B14R1.222 O=CCCCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000139335 [0,1,0,1,0,0|2,0,0]=4 23781 B14R1.222 O=CCCCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000139335 [0,1,0,1,0,0|2,0,0]=4 23782 B14R1.222 O=CCCCCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000139335 [0,1,0,1,0,0|2,0,0]=4 23783 B14R1.222 O=CCCCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000139335 [0,1,0,1,0,0|2,0,0]=4 23784 B14R1.461 CCC1CN(CCN1CCCC=O)C 2230a_100011941019_200011292268 [0,1,0,1,0,0|2,0,0]=4 23785 B14R1.461 CCC1CN(CCN1CCCC=O)C 269982a_100011941019_200011292268 [0,1,0,1,0,0|2,0,0]=4 23786 B14R1.882 C#CCCCCCN1CCCCC1C 2230a_100000211376_100012094781 [0,1,0,1,0,0|1,0,1]=4 23787 B14R1.882 C#CCCCCCN1CCCCC1C 269982a_100000211376_100012094781 [0,1,0,1,0,0|1,0,1]=4 23788 B14R1.882 C#CCCCCCN1CCCCC1C 34a_100000211376_100012094781 [0,1,0,1,0,0|1,0,1]=4 23789 B14R1.882 C#CCCCCNC1CCCCC1=O 34a_100000706060_100000754470 [0,1,0,1,0,0|0,0,2]=4 23790 B14R1.882 C#CCCCCNC1CCCCC1C 2230a_100000211402_100010269958 [0,1,0,1,0,0|1,0,1]=4 23791 B14R1.882 C#CCCCCNC1CCCCC1C 34a_100000211402_100010269958 [0,1,0,1,0,0|1,0,1]=4 23792 B14R1.882 C#CCCCCOC1CCCCC1=O 34a_100000766709_100000754470 [0,1,0,1,0,0|0,0,2]=4 23793 B14R1.882 C#CCCCCOC1CCCCC1=O 34a_100011214950_100010269958 [0,1,0,1,0,0|0,0,2]=4 23794 B14R1.882 C#CCCCCOC1CCCCC1=O 7a_100000766709_100000204591 [0,1,0,1,0,0|0,0,2]=4 23795 B14R1.882 C#CCCCCOC1CCCCC1C 34a_100000211207_100010269958 [0,1,0,1,0,0|1,0,1]=4 23796 B14R1.882 C#CCCCCOC1CCCCC1C 7a_100000211207_100010269958 [0,1,0,1,0,0|1,0,1]=4 23797 B14R1.882 C#CCCCCSC1CCCCC1=O 62a_100000204591_100010269958 [0,1,0,1,0,0|0,0,2]=4 23798 B14R1.882 C#CCCCCSC1CCCCC1=O 62a_100010269958_100000204591 [0,1,0,1,0,0|0,0,2]=4 23799 B14R1.882 C#CCCCOCC1CCCCC1=O 34a_100009861125_100000695029 [0,1,0,1,0,0|0,0,2]=4 23800 B14R1.882 C#CCCCOCC1CCCCC1=O 7a_100009861125_100011215417 [0,1,0,1,0,0|0,0,2]=4 23801 B14R1.882 C=CCCCCCN1CCCCC1C 2230a_100000211376_100000700193 [0,1,0,1,0,0|1,0,0]=3 23802 B14R1.882 C=CCCCCCN1CCCCC1C 269982a_100000211376_100000700193 [0,1,0,1,0,0|1,0,0]=3 23803 B14R1.882 C=CCCCCCN1CCCCC1C 34a_100000211376_100000700193 [0,1,0,1,0,0|1,0,0]=3 23804 B14R1.882 C=CCCCCCN1CCOC[C@@H]1C 2230a_100009815349_100000700193 [0,1,0,1,0,0|2,0,0]=4 23805 B14R1.882 C=CCCCCCN1CCOC[C@@H]1C 269982a_100009815349_100000700193 [0,1,0,1,0,0|2,0,0]=4 23806 B14R1.882 C=CCCCCCN1CCOC[C@@H]1C 34a_100009815349_100000700193 [0,1,0,1,0,0|2,0,0]=4 23807 B14R1.882 C=CCCCCNC1CCCCC1=O 34a_100000703577_100000754470 [0,1,0,1,0,0|0,0,2]=4 23808 B14R1.882 C=CCCCCNC1CCCCC1C 2230a_100000211402_100011215482 [0,1,0,1,0,0|1,0,0]=3 23809 B14R1.882 C=CCCCCNC1CCCCC1C 269862a_100000703577_100000210921 [0,1,0,1,0,0|1,0,0]=3 23810 B14R1.882 C=CCCCCNC1CCCCC1C 270004a_100000703577_100000210921 [0,1,0,1,0,0|1,0,0]=3 23811 B14R1.882 C=CCCCCNC1CCCCC1C 34a_100000211402_100011215482 [0,1,0,1,0,0|1,0,0]=3 23812 B14R1.882 C=CCCCCNC1CCCCC1F 34a_100000703577_100015423560 [0,1,0,1,0,0|2,0,0]=4 23813 B14R1.882 C=CCCCCNC1CCCCC1O 34a_100000703577_100000038908 [0,1,0,1,0,0|2,0,0]=4 23814 B14R1.882 C=CCCCCNC1CCNCC1C 270004a_100000703577_100000703950 [0,1,0,1,0,0|2,0,0]=4 23815 B14R1.882 C=CCCCCNC1CCOCC1C 270004a_100000703577_100000755695 [0,1,0,1,0,0|2,0,0]=4 23816 B14R1.882 C=CCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011215482 [0,1,0,1,0,0|2,0,0]=4 23817 B14R1.882 C=CCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011215482 [0,1,0,1,0,0|2,0,0]=4 23818 B14R1.882 C=CCCCCOC1CCCCC1=O 34a_100000766645_100000754470 [0,1,0,1,0,0|0,0,2]=4 23819 B14R1.882 C=CCCCCOC1CCCCC1=O 34a_100011214950_100011215482 [0,1,0,1,0,0|0,0,2]=4 23820 B14R1.882 C=CCCCCOC1CCCCC1=O 7a_100000766645_100000204591 [0,1,0,1,0,0|0,0,2]=4 23821 B14R1.882 C=CCCCCOC1CCCCC1C 34a_100000211207_100011215482 [0,1,0,1,0,0|1,0,0]=3 23822 B14R1.882 C=CCCCCOC1CCCCC1C 7a_100000211207_100011215482 [0,1,0,1,0,0|1,0,0]=3 23823 B14R1.882 C=CCCCCOC1CCCCC1Cl 34a_100000038908_100011215482 [0,1,0,1,0,0|2,0,0]=4 23824 B14R1.882 C=CCCCCOC1CCCCC1Cl 7a_100000038908_100011215482 [0,1,0,1,0,0|2,0,0]=4 23825 B14R1.882 C=CCCCCOC1CCCCC1F 34a_100000766645_100015423560 [0,1,0,1,0,0|2,0,0]=4 23826 B14R1.882 C=CCCCCOC1CCCCC1O 34a_100000766645_100000038908 [0,1,0,1,0,0|2,0,0]=4 23827 B14R1.882 C=CCCCCOC1CCNCC1C 34a_100011998114_100011215482 [0,1,0,1,0,0|2,0,0]=4 23828 B14R1.882 C=CCCCCOC1CNCCC1C 34a_100000696640_100011215482 [0,1,0,1,0,0|2,0,0]=4 23829 B14R1.882 C=CCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011215482 [0,1,0,1,0,0|2,0,0]=4 23830 B14R1.882 C=CCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011215482 [0,1,0,1,0,0|2,0,0]=4 23831 B14R1.882 C=CCCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100011215482 [0,1,0,1,0,0|2,0,0]=4 23832 B14R1.882 C=CCCCCSC1CCCCC1=O 62a_100000204591_100011215482 [0,1,0,1,0,0|0,0,2]=4 23833 B14R1.882 C=CCCCCSC1CCCCC1=O 62a_100011215482_100000204591 [0,1,0,1,0,0|0,0,2]=4 23834 B14R1.882 C=CCCCCSC1CCCCC1F 62a_100011215482_100015423560 [0,1,0,1,0,0|2,0,0]=4 23835 B14R1.882 C=CCCCCSC1CCCCC1F 62a_100015423560_100011215482 [0,1,0,1,0,0|2,0,0]=4 23836 B14R1.882 C=CCCCCSC1CCCCC1O 62a_100000038908_100011215482 [0,1,0,1,0,0|2,0,0]=4 23837 B14R1.882 C=CCCCCSC1CCCCC1O 62a_100011215482_100000038908 [0,1,0,1,0,0|2,0,0]=4 23838 B14R1.882 C=CCCCNCC1CCCCC1O 34a_100011216029_100000757094 [0,1,0,1,0,0|2,0,0]=4 23839 B14R1.882 C=CCCCNCC1CCCCN1C 34a_100000700776_100015186950 [0,1,0,1,0,0|2,0,0]=4 23840 B14R1.882 C=CCCCNCC1CCCCN1C 34a_100011228421_100000757094 [0,1,0,1,0,0|2,0,0]=4 23841 B14R1.882 C=CCCCOCC1CCCCC1=O 34a_100009861125_100000757094 [0,1,0,1,0,0|0,0,2]=4 23842 B14R1.882 C=CCCCOCC1CCCCC1=O 7a_100009861125_100000757094 [0,1,0,1,0,0|0,0,2]=4 23843 B14R1.882 C=CCCCOCC1CCCCN1C 34a_100000225079_100000757094 [0,1,0,1,0,0|2,0,0]=4 23844 B14R1.882 C=CCCCOCC1CCCCN1C 34a_100000758997_100015186950 [0,1,0,1,0,0|2,0,0]=4 23845 B14R1.882 C=CCCCOCC1CCCCN1C 7a_100000758997_100015185383 [0,1,0,1,0,0|2,0,0]=4 23846 B14R1.882 C=CCCCSCC1CCCCN1C 62a_100011713584_100015185383 [0,1,0,1,0,0|2,0,0]=4 23847 B14R1.882 C=CCCCSCC1CCCCN1C 62a_100015185383_100000757094 [0,1,0,1,0,0|2,0,0]=4 23848 B14R1.882 C=CCCNCCC1CCCCN1C 2230a_100015191253_100000211948 [0,1,0,1,0,0|2,0,0]=4 23849 B14R1.882 C=CCCNCCN1CCCCC1C 2230a_100000739827_100000754431 [0,1,0,1,0,0|2,0,0]=4 23850 B14R1.882 C=CCCNCCN1CCCCC1C 34a_100000739827_100000754431 [0,1,0,1,0,0|2,0,0]=4 23851 B14R1.882 C=CCCOCCC1CCCCN1C 34a_100011205117_100000211948 [0,1,0,1,0,0|2,0,0]=4 23852 B14R1.882 C=CCCOCCN1CCCCC1C 34a_100011305533_100000754431 [0,1,0,1,0,0|2,0,0]=4 23853 B14R1.882 C=CCCSCCC1CCCCN1C 62a_100000211948_100000754431 [0,1,0,1,0,0|2,0,0]=4 23854 B14R1.882 C=CCCSCCC1CCCCN1C 62a_100000754431_100000211948 [0,1,0,1,0,0|2,0,0]=4 23855 B14R1.882 C=CCNCCCN1CCCCC1C 34a_100000212276_100015514636 [0,1,0,1,0,0|2,0,0]=4 23856 B14R1.882 C=CCOCCCN1CCCCC1C 34a_100000213889_100015514636 [0,1,0,1,0,0|2,0,0]=4 23857 B14R1.882 C=CCOCCCN1CCCCC1C 7a_100000213889_100015514636 [0,1,0,1,0,0|2,0,0]=4 23858 B14R1.882 C=COCCCNC1CCCCC1C 269862a_100000210767_100000210921 [0,1,0,1,0,0|2,0,0]=4 23859 B14R1.882 C=COCCCNC1CCCCC1C 270004a_100000210767_100000210921 [0,1,0,1,0,0|2,0,0]=4 23860 B14R1.882 CC/C=C\CCOC1CCCCC1=O 34a_100011214950_100015370543 [0,1,0,1,0,0|0,0,2]=4 23861 B14R1.882 CC/C=C\CCOC1CCCCC1=O 34a_100016288707_100000754470 [0,1,0,1,0,0|0,0,2]=4 23862 B14R1.882 CC/C=C\CCOC1CCCCC1=O 7a_100016288707_100000204591 [0,1,0,1,0,0|0,0,2]=4 23863 B14R1.882 CC/C=C\CCSC1CCCCC1=O 62a_100000204591_100015370543 [0,1,0,1,0,0|0,0,2]=4 23864 B14R1.882 CC/C=C\CCSC1CCCCC1=O 62a_100015370543_100000204591 [0,1,0,1,0,0|0,0,2]=4 23865 B14R1.882 CC/C=C\COCC1CCCCC1=O 34a_100009861125_100103147603 [0,1,0,1,0,0|0,0,2]=4 23866 B14R1.882 CC/C=C\COCC1CCCCC1=O 7a_100009861125_100103147603 [0,1,0,1,0,0|0,0,2]=4 23867 B14R1.882 CC1CCCCC1NCCCCC#N 2230a_100000211402_100000211819 [0,1,0,1,0,0|1,0,1]=4 23868 B14R1.882 CC1CCCCC1NCCCCC#N 270004a_100000751965_100000210921 [0,1,0,1,0,0|1,0,1]=4 23869 B14R1.882 CC1CCCCC1NCCCCC=O 2230a_100000211402_100000139335 [0,1,0,1,0,0|0,0,0]=2 23870 B14R1.882 CC1CCCCC1NCCCCCF 2230a_100000211402_100000729378 [0,1,0,1,0,0|1,0,1]=4 23871 B14R1.882 CC1CCCCC1NCCCCCF 34a_100000211402_100000729378 [0,1,0,1,0,0|1,0,1]=4 23872 B14R1.882 CC1CCCCC1NCCCCCO 2230a_100000211402_100000746330 [0,1,0,1,0,0|0,0,2]=4 23873 B14R1.882 CC1CCCCC1NCCCCCO 269862a_100000762737_100000210921 [0,1,0,1,0,0|0,0,2]=4 23874 B14R1.882 CC1CCCCC1NCCCCCO 270004a_100000762737_100000210921 [0,1,0,1,0,0|0,0,2]=4 23875 B14R1.882 CC1CCCCC1NCCCCCO 34a_100000211402_100000746330 [0,1,0,1,0,0|0,0,2]=4 23876 B14R1.882 CC1CCCCC1OCCCCC#N 7a_100000211207_100000211819 [0,1,0,1,0,0|1,0,1]=4 23877 B14R1.882 CC1CCCCC1OCCCCC=O 7a_100000211207_100000139335 [0,1,0,1,0,0|0,0,0]=2 23878 B14R1.882 CC1CCCCC1OCCCCCF 34a_100000211207_100000729378 [0,1,0,1,0,0|1,0,1]=4 23879 B14R1.882 CC1CCCCC1OCCCCCF 7a_100000211207_100000729378 [0,1,0,1,0,0|1,0,1]=4 23880 B14R1.882 CC1CCCCC1OCCCCCO 34a_100000211207_100000746330 [0,1,0,1,0,0|0,0,2]=4 23881 B14R1.882 CC1CCCCC1OCCCCCO 7a_100000211207_100000746330 [0,1,0,1,0,0|0,0,2]=4 23882 B14R1.882 CC1CCCCN1CCCCCC#N 2230a_100000211376_100009813376 [0,1,0,1,0,0|1,0,1]=4 23883 B14R1.882 CC1CCCCN1CCCCCC#N 269982a_100000211376_100009813376 [0,1,0,1,0,0|1,0,1]=4 23884 B14R1.882 CC1CCCCN1CCCCCC=O 2230a_100000211376_100000139337 [0,1,0,1,0,0|0,0,0]=2 23885 B14R1.882 CC1CCCCN1CCCCCC=O 269982a_100000211376_100000139337 [0,1,0,1,0,0|0,0,0]=2 23886 B14R1.882 CC1CCCCN1CCCCCCF 2230a_100000211376_100015922095 [0,1,0,1,0,0|1,0,1]=4 23887 B14R1.882 CC1CCCCN1CCCCCCF 269982a_100000211376_100015922095 [0,1,0,1,0,0|1,0,1]=4 23888 B14R1.882 CC1CCCCN1CCCCCCF 34a_100000211376_100015922095 [0,1,0,1,0,0|1,0,1]=4 23889 B14R1.882 CC1CCCCN1CCCCCCO 2230a_100000211376_100000766143 [0,1,0,1,0,0|0,0,2]=4 23890 B14R1.882 CC1CCCCN1CCCCCCO 269982a_100000211376_100000766143 [0,1,0,1,0,0|0,0,2]=4 23891 B14R1.882 CC1CCCCN1CCCCCCO 34a_100000211376_100000766143 [0,1,0,1,0,0|0,0,2]=4 23892 B14R1.882 CC1CCCCN1CCCNCC=O 34a_100000212276_200009817547 [0,1,0,1,0,0|1,0,0]=3 23893 B14R1.882 CC1CCCCN1CCCOCC=O 34a_100000213889_200009817547 [0,1,0,1,0,0|1,0,0]=3 23894 B14R1.882 CC1CCCCN1CCCOCC=O 7a_100000213889_200015260668 [0,1,0,1,0,0|1,0,0]=3 23895 B14R1.882 CC=CCCCOC1CCCCC1=O 34a_100020645299_100000754470 [0,1,0,1,0,0|0,0,2]=4 23896 B14R1.882 CCC#CCCOC1CCCCC1=O 34a_100000036655_100000754470 [0,1,0,1,0,0|0,0,2]=4 23897 B14R1.882 CCC#CCCOC1CCCCC1=O 7a_100000036655_100000204591 [0,1,0,1,0,0|0,0,2]=4 23898 B14R1.882 CCC#CCOCC1CCCCC1=O 34a_100009861125_100009813939 [0,1,0,1,0,0|0,0,2]=4 23899 B14R1.882 CCC#CCOCC1CCCCC1=O 7a_100009861125_100009813939 [0,1,0,1,0,0|0,0,2]=4 23900 B14R1.882 CCC/C=C/COC1CCCCC1=O 34a_100016278788_100000754470 [0,1,0,1,0,0|0,0,2]=4 23901 B14R1.882 CCC/C=C/COC1CCCCC1=O 7a_100016278788_100000204591 [0,1,0,1,0,0|0,0,2]=4 23902 B14R1.882 CCCC#CCOC1CCCCC1=O 34a_100000034806_100000754470 [0,1,0,1,0,0|0,0,2]=4 23903 B14R1.882 CCCC#CCOC1CCCCC1=O 7a_100000034806_100000204591 [0,1,0,1,0,0|0,0,2]=4 23904 B14R1.882 CCCCCCCN1CCCCC1C 2230a_100000211376_100000210681 [0,1,0,1,0,0|1,0,1]=4 23905 B14R1.882 CCCCCCCN1CCCCC1C 269982a_100000211376_100000210681 [0,1,0,1,0,0|1,0,1]=4 23906 B14R1.882 CCCCCCCN1CCCCC1C 34a_100000211376_100000210614 [0,1,0,1,0,0|1,0,1]=4 23907 B14R1.882 CCCCCCNC1CCCCC1C 2230a_100000211402_100000210314 [0,1,0,1,0,0|1,0,1]=4 23908 B14R1.882 CCCCCCNC1CCCCC1C 269862a_100000210581_100000210921 [0,1,0,1,0,0|1,0,1]=4 23909 B14R1.882 CCCCCCNC1CCCCC1C 270004a_100000210581_100000210921 [0,1,0,1,0,0|1,0,1]=4 23910 B14R1.882 CCCCCCNC1CCCCC1C 34a_100000211402_100000210314 [0,1,0,1,0,0|1,0,1]=4 23911 B14R1.882 CCCCCCNC1CCCNC1=O 2230a_100000210581_100000687798 [0,1,0,1,0,0|1,0,0]=3 23912 B14R1.882 CCCCCCNC1CCCNC1=O 2230a_100000747585_100000210314 [0,1,0,1,0,0|1,0,0]=3 23913 B14R1.882 CCCCCCNC1CCCNC1=O 34a_100000747585_100000210314 [0,1,0,1,0,0|1,0,0]=3 23914 B14R1.882 CCCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210314 [0,1,0,1,0,0|1,0,1]=4 23915 B14R1.882 CCCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210314 [0,1,0,1,0,0|1,0,1]=4 23916 B14R1.882 CCCCCCOC1CCCCC1=O 34a_100000210259_100000754470 [0,1,0,1,0,0|0,0,0]=2 23917 B14R1.882 CCCCCCOC1CCCCC1=O 34a_100011214950_100000210314 [0,1,0,1,0,0|0,0,0]=2 23918 B14R1.882 CCCCCCOC1CCCCC1=O 7a_100000210259_100000204591 [0,1,0,1,0,0|0,0,0]=2 23919 B14R1.882 CCCCCCOC1CCCCC1C 34a_100000211207_100000210314 [0,1,0,1,0,0|1,0,1]=4 23920 B14R1.882 CCCCCCOC1CCCCC1C 7a_100000211207_100000210314 [0,1,0,1,0,0|1,0,1]=4 23921 B14R1.882 CCCCCCOC1CCCCC1Cl 34a_100000038908_100000210314 [0,1,0,1,0,0|1,0,1]=4 23922 B14R1.882 CCCCCCOC1CCCCC1Cl 7a_100000038908_100000210314 [0,1,0,1,0,0|1,0,1]=4 23923 B14R1.882 CCCCCCOC1CCCCC1F 34a_100000210259_100015423560 [0,1,0,1,0,0|1,0,1]=4 23924 B14R1.882 CCCCCCOC1CCCCC1O 34a_100000210259_100000038908 [0,1,0,1,0,0|0,0,2]=4 23925 B14R1.882 CCCCCCOC1CCCNC1=O 34a_100000073722_100000210314 [0,1,0,1,0,0|1,0,0]=3 23926 B14R1.882 CCCCCCOC1CCCNC1=O 34a_100000210259_100000687798 [0,1,0,1,0,0|1,0,0]=3 23927 B14R1.882 CCCCCCOC1CCCNC1=O 7a_100000210259_100000687798 [0,1,0,1,0,0|1,0,0]=3 23928 B14R1.882 CCCCCCOC1COCCC1=O 34a_100000210259_100012180262 [0,1,0,1,0,0|1,0,0]=3 23929 B14R1.882 CCCCCCOC1COCCC1=O 7a_100000210259_100012180262 [0,1,0,1,0,0|1,0,0]=3 23930 B14R1.882 CCCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210314 [0,1,0,1,0,0|1,0,1]=4 23931 B14R1.882 CCCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210314 [0,1,0,1,0,0|1,0,1]=4 23932 B14R1.882 CCCCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210314 [0,1,0,1,0,0|1,0,1]=4 23933 B14R1.882 CCCCCCSC1CCCCC1=O 62a_100000204591_100000210757 [0,1,0,1,0,0|0,0,0]=2 23934 B14R1.882 CCCCCCSC1CCCCC1=O 62a_100000210314_100000204591 [0,1,0,1,0,0|0,0,0]=2 23935 B14R1.882 CCCCCCSC1CCCCC1F 62a_100000210314_100015423560 [0,1,0,1,0,0|1,0,1]=4 23936 B14R1.882 CCCCCCSC1CCCCC1F 62a_100015423560_100000210757 [0,1,0,1,0,0|1,0,1]=4 23937 B14R1.882 CCCCCCSC1CCCCC1O 62a_100000038908_100000210757 [0,1,0,1,0,0|0,0,2]=4 23938 B14R1.882 CCCCCCSC1CCCCC1O 62a_100000210314_100000038908 [0,1,0,1,0,0|0,0,2]=4 23939 B14R1.882 CCCCCCSC1CCCNC1=O 62a_100000210314_100000687798 [0,1,0,1,0,0|1,0,0]=3 23940 B14R1.882 CCCCCCSC1CCCNC1=O 62a_100000687798_100000210757 [0,1,0,1,0,0|1,0,0]=3 23941 B14R1.882 CCCCCCSC1COCCC1=O 62a_100000210314_100012180262 [0,1,0,1,0,0|1,0,0]=3 23942 B14R1.882 CCCCCCSC1COCCC1=O 62a_100012180262_100000210757 [0,1,0,1,0,0|1,0,0]=3 23943 B14R1.882 CCCCCNCC1CCCCC1O 34a_100011216029_100000718602 [0,1,0,1,0,0|0,0,2]=4 23944 B14R1.882 CCCCCNCC1CCCCN1C 34a_100011228421_100000718602 [0,1,0,1,0,0|2,0,0]=4 23945 B14R1.882 CCCCCOCC1CCCCC1=O 34a_100009861125_100000718602 [0,1,0,1,0,0|0,0,0]=2 23946 B14R1.882 CCCCCOCC1CCCCC1=O 7a_100009861125_100000210326 [0,1,0,1,0,0|0,0,0]=2 23947 B14R1.882 CCCCCOCC1CCCCN1C 34a_100000210253_100015186950 [0,1,0,1,0,0|2,0,0]=4 23948 B14R1.882 CCCCCOCC1CCCCN1C 34a_100000225079_100000718602 [0,1,0,1,0,0|2,0,0]=4 23949 B14R1.882 CCCCCOCC1CCCCN1C 7a_100000210253_100015185383 [0,1,0,1,0,0|2,0,0]=4 23950 B14R1.882 CCCCCSCC1CCCCN1C 62a_100000210326_100015185383 [0,1,0,1,0,0|2,0,0]=4 23951 B14R1.882 CCCCCSCC1CCCCN1C 62a_100015185383_100000210326 [0,1,0,1,0,0|2,0,0]=4 23952 B14R1.882 CCCCNCCC1CCCCN1C 2230a_100000102301_100000211948 [0,1,0,1,0,0|2,0,0]=4 23953 B14R1.882 CCCCNCCC1CCCCN1C 7a_106832991798_100000211948 [0,1,0,1,0,0|2,0,0]=4 23954 B14R1.882 CCCCNCCN1CCCCC1=O 2230a_100160573077_100000210211 [0,1,0,1,0,0|1,0,0]=3 23955 B14R1.882 CCCCNCCN1CCCCC1=O 34a_100160573077_100000210210 [0,1,0,1,0,0|1,0,0]=3 23956 B14R1.882 CCCCOCCC1CCCCN1C 34a_100000210227_100000211948 [0,1,0,1,0,0|2,0,0]=4 23957 B14R1.882 CCCCOCCC1CCCCN1C 7a_100000210227_100000211948 [0,1,0,1,0,0|2,0,0]=4 23958 B14R1.882 CCCCOCCC1NCCNC1=O 34a_100000044719_100000210210 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[0,1,0,1,0,0|2,0,0]=4 23982 B14R1.882 CCCOCCOC1CCCNC1=O 7a_100000752267_100000687798 [0,1,0,1,0,0|2,0,0]=4 23983 B14R1.882 CCCOCCOC1COCCC1=O 34a_100000752267_100012180262 [0,1,0,1,0,0|2,0,0]=4 23984 B14R1.882 CCCOCCOC1COCCC1=O 7a_100000752267_100012180262 [0,1,0,1,0,0|2,0,0]=4 23985 B14R1.882 CCCOCCSC1CCCCC1=O 62a_100000204591_100011215938 [0,1,0,1,0,0|1,0,0]=3 23986 B14R1.882 CCCOCCSC1CCCCC1=O 62a_100011215938_100000204591 [0,1,0,1,0,0|1,0,0]=3 23987 B14R1.882 CCCOCCSC1CCCNC1=O 62a_100000687798_100011215938 [0,1,0,1,0,0|2,0,0]=4 23988 B14R1.882 CCCOCCSC1CCCNC1=O 62a_100011215938_100000687798 [0,1,0,1,0,0|2,0,0]=4 23989 B14R1.882 CCCOCCSC1COCCC1=O 62a_100011215938_100012180262 [0,1,0,1,0,0|2,0,0]=4 23990 B14R1.882 CCCOCCSC1COCCC1=O 62a_100012180262_100011215938 [0,1,0,1,0,0|2,0,0]=4 23991 B14R1.882 CCCSCCNC1CCCNC1=O 2230a_100020603323_100000687798 [0,1,0,1,0,0|2,0,0]=4 23992 B14R1.882 CCCSCCOC1CCCCC1=O 34a_200000230433_100000754470 [0,1,0,1,0,0|1,0,0]=3 23993 B14R1.882 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62a_100012180262_100012232248 [0,1,0,1,0,0|2,0,0]=4 24017 B14R1.882 CCOCCCSC1COCCC1=O 62a_100012232248_100012180262 [0,1,0,1,0,0|2,0,0]=4 24018 B14R1.882 CCOCCOCC1CCCCC1=O 34a_100009861125_100000210147 [0,1,0,1,0,0|1,0,0]=3 24019 B14R1.882 CCOCCOCC1CCCCC1=O 7a_100009861125_100011215890 [0,1,0,1,0,0|1,0,0]=3 24020 B14R1.882 CCSCCCOC1CCCCC1=O 34a_100011216438_100000754470 [0,1,0,1,0,0|1,0,0]=3 24021 B14R1.882 CCSCCCOC1CCCCC1=O 7a_100011216438_100000204591 [0,1,0,1,0,0|1,0,0]=3 24022 B14R1.882 CCSCCCOC1CCCNC1=O 34a_100011216438_100000687798 [0,1,0,1,0,0|2,0,0]=4 24023 B14R1.882 CCSCCCOC1CCCNC1=O 7a_100011216438_100000687798 [0,1,0,1,0,0|2,0,0]=4 24024 B14R1.882 CCSCCCOC1COCCC1=O 34a_100011216438_100012180262 [0,1,0,1,0,0|2,0,0]=4 24025 B14R1.882 CCSCCCOC1COCCC1=O 7a_100011216438_100012180262 [0,1,0,1,0,0|2,0,0]=4 24026 B14R1.882 CCSCCOCC1CCCCC1=O 34a_100009861125_100000757381 [0,1,0,1,0,0|1,0,0]=3 24027 B14R1.882 CCSCCOCC1CCCCC1=O 7a_100009861125_100000757381 [0,1,0,1,0,0|1,0,0]=3 24028 B14R1.882 CN1CCCCC1CSCCCC=O 62a_100015185383_200011292268 [0,1,0,1,0,0|1,0,0]=3 24029 B14R1.882 CN1CCCCC1CSCCCC=O 62a_200011292268_100015185383 [0,1,0,1,0,0|1,0,0]=3 24030 B14R1.882 COCCCCNC1CCCCC1C 2230a_100000211402_100000730899 [0,1,0,1,0,0|2,0,0]=4 24031 B14R1.882 COCCCCNC1CCCCC1C 34a_100000211402_100000755781 [0,1,0,1,0,0|2,0,0]=4 24032 B14R1.882 COCCCCNC1CCCNC1=O 2230a_100000747585_100000730899 [0,1,0,1,0,0|2,0,0]=4 24033 B14R1.882 COCCCCNC1CCCNC1=O 34a_100000747585_100000755781 [0,1,0,1,0,0|2,0,0]=4 24034 B14R1.882 COCCCCOC1CCCCC1=O 34a_100000740925_100000754470 [0,1,0,1,0,0|1,0,0]=3 24035 B14R1.882 COCCCCOC1CCCCC1=O 34a_100011214950_100000755781 [0,1,0,1,0,0|1,0,0]=3 24036 B14R1.882 COCCCCOC1CCCCC1C 34a_100000211207_100000755781 [0,1,0,1,0,0|2,0,0]=4 24037 B14R1.882 COCCCCOC1CCCCC1C 7a_100000211207_100000730899 [0,1,0,1,0,0|2,0,0]=4 24038 B14R1.882 COCCCCOC1CCCNC1=O 34a_100000073722_100000755781 [0,1,0,1,0,0|2,0,0]=4 24039 B14R1.882 COCCCCOC1CCCNC1=O 34a_100000740925_100000687798 [0,1,0,1,0,0|2,0,0]=4 24040 B14R1.882 COCCCCOC1COCCC1=O 34a_100000740925_100012180262 [0,1,0,1,0,0|2,0,0]=4 24041 B14R1.882 COCCCCSC1CCCCC1=O 62a_100000204591_100000730899 [0,1,0,1,0,0|1,0,0]=3 24042 B14R1.882 COCCCCSC1CCCCC1=O 62a_100000730899_100000204591 [0,1,0,1,0,0|1,0,0]=3 24043 B14R1.882 COCCCCSC1CCCNC1=O 62a_100000687798_100000730899 [0,1,0,1,0,0|2,0,0]=4 24044 B14R1.882 COCCCCSC1CCCNC1=O 62a_100000730899_100000687798 [0,1,0,1,0,0|2,0,0]=4 24045 B14R1.882 COCCCCSC1COCCC1=O 62a_100000730899_100012180262 [0,1,0,1,0,0|2,0,0]=4 24046 B14R1.882 COCCCCSC1COCCC1=O 62a_100012180262_100000730899 [0,1,0,1,0,0|2,0,0]=4 24047 B14R1.882 COCCCOCC1CCCCC1=O 34a_100009861125_100000740836 [0,1,0,1,0,0|1,0,0]=3 24048 B14R1.882 COCCCOCC1CCCCC1=O 7a_100009861125_100000740836 [0,1,0,1,0,0|1,0,0]=3 24049 B14R1.882 COCCNCCN1CCCCC1=O 2230a_100160573077_100011201679 [0,1,0,1,0,0|2,0,0]=4 24050 B14R1.882 COCCNCCN1CCCCC1=O 34a_100160573077_100011201679 [0,1,0,1,0,0|2,0,0]=4 24051 B14R1.882 COCCOCSC1CCCCC1=O 62a_100000204591_100000231047 [0,1,0,1,0,0|2,0,0]=4 24052 B14R1.882 COCCOCSC1CCCCC1=O 62a_100000231047_100000204591 [0,1,0,1,0,0|2,0,0]=4 24053 B14R1.882 CSCCCCOC1CCCCC1=O 34a_100011217163_100000754470 [0,1,0,1,0,0|1,0,0]=3 24054 B14R1.882 CSCCCCOC1CCCCC1=O 7a_100011217163_100000204591 [0,1,0,1,0,0|1,0,0]=3 24055 B14R1.882 CSCCCCOC1CCCNC1=O 34a_100011217163_100000687798 [0,1,0,1,0,0|2,0,0]=4 24056 B14R1.882 CSCCCCOC1CCCNC1=O 7a_100011217163_100000687798 [0,1,0,1,0,0|2,0,0]=4 24057 B14R1.882 CSCCCCOC1COCCC1=O 34a_100011217163_100012180262 [0,1,0,1,0,0|2,0,0]=4 24058 B14R1.882 CSCCCCOC1COCCC1=O 7a_100011217163_100012180262 [0,1,0,1,0,0|2,0,0]=4 24059 B14R1.882 CSCCNCCN1CCCCC1=O 2230a_100160573077_100000751147 [0,1,0,1,0,0|2,0,0]=4 24060 B14R1.882 CSCCNCCN1CCCCC1=O 34a_100160573077_100000212216 [0,1,0,1,0,0|2,0,0]=4 24061 B14R1.882 C[C@H]1COCCN1CCCCCC=O 2230a_100009815349_100000139337 [0,1,0,1,0,0|1,0,0]=3 24062 B14R1.882 C[C@H]1COCCN1CCCCCC=O 269982a_100009815349_100000139337 [0,1,0,1,0,0|1,0,0]=3 24063 B14R1.882 N#CCCCCSC1CCCCC1=O 62a_100000204591_100000211819 [0,1,0,1,0,0|1,0,1]=4 24064 B14R1.882 N#CCCCCSC1CCCCC1=O 62a_100011219923_100000204591 [0,1,0,1,0,0|1,0,1]=4 24065 B14R1.882 N#CCCCOCC1CCCCC1=O 7a_100009861125_100000687738 [0,1,0,1,0,0|1,0,1]=4 24066 B14R1.882 NCCCCCOC1CCCCC1=O 34a_100000762737_100000754470 [0,1,0,1,0,0|1,0,0]=3 24067 B14R1.882 NCCCCCOC1CCCNC1=O 34a_100000762737_100000687798 [0,1,0,1,0,0|2,0,0]=4 24068 B14R1.882 NCCCCCOC1COCCC1=O 34a_100000762737_100012180262 [0,1,0,1,0,0|2,0,0]=4 24069 B14R1.882 NCCOCCOC1CCCCC1=O 34a_100000211614_100000754470 [0,1,0,1,0,0|2,0,0]=4 24070 B14R1.882 O=C1CCCCC1COCCCCF 34a_100009861125_100000729493 [0,1,0,1,0,0|1,0,0]=3 24071 B14R1.882 O=C1CCCCC1COCCCCF 7a_100009861125_100000729493 [0,1,0,1,0,0|1,0,0]=3 24072 B14R1.882 O=C1CCCCC1COCCCCO 34a_100009861125_100011216708 [0,1,0,1,0,0|1,0,0]=3 24073 B14R1.882 O=C1CCCCC1COCCCCO 7a_100009861125_100000210776 [0,1,0,1,0,0|1,0,0]=3 24074 B14R1.882 O=C1CCCCC1NCCCCCO 34a_100000762737_100000754470 [0,1,0,1,0,0|1,0,0]=3 24075 B14R1.882 O=C1CCCCC1NCCOCCO 34a_100000211614_100000754470 [0,1,0,1,0,0|2,0,0]=4 24076 B14R1.882 O=C1CCCCC1OCCCCCBr 34a_100000746331_100000754470 [0,1,0,1,0,0|1,0,0]=3 24077 B14R1.882 O=C1CCCCC1OCCCCCBr 7a_100000746331_100000204591 [0,1,0,1,0,0|1,0,0]=3 24078 B14R1.882 O=C1CCCCC1OCCCCCCl 34a_100000746330_100000754470 [0,1,0,1,0,0|1,0,0]=3 24079 B14R1.882 O=C1CCCCC1OCCCCCCl 7a_100000746330_100000204591 [0,1,0,1,0,0|1,0,0]=3 24080 B14R1.882 O=C1CCCCC1OCCCCCF 34a_100011214950_100000729378 [0,1,0,1,0,0|1,0,0]=3 24081 B14R1.882 O=C1CCCCC1OCCCCCI 34a_200012148887_100000754470 [0,1,0,1,0,0|1,0,0]=3 24082 B14R1.882 O=C1CCCCC1OCCCCCI 7a_200012148887_100000204591 [0,1,0,1,0,0|1,0,0]=3 24083 B14R1.882 O=C1CCCCC1OCCCCCO 34a_100011214950_100000746330 [0,1,0,1,0,0|1,0,0]=3 24084 B14R1.882 O=C1CCCCC1OCCOCCBr 34a_100000692535_100000754470 [0,1,0,1,0,0|2,0,0]=4 24085 B14R1.882 O=C1CCCCC1OCCOCCBr 7a_100000692535_100000204591 [0,1,0,1,0,0|2,0,0]=4 24086 B14R1.882 O=C1CCCCC1OCCOCCCl 34a_100011215305_100000754470 [0,1,0,1,0,0|2,0,0]=4 24087 B14R1.882 O=C1CCCCC1OCCOCCCl 7a_100011215305_100000204591 [0,1,0,1,0,0|2,0,0]=4 24088 B14R1.882 O=C1CCCCC1OCCOCCF 34a_200015357709_100000754470 [0,1,0,1,0,0|2,0,0]=4 24089 B14R1.882 O=C1CCCCC1OCCOCCF 7a_200015357709_100000204591 [0,1,0,1,0,0|2,0,0]=4 24090 B14R1.882 O=C1CCCCC1OCCOCCI 34a_100012149058_100000754470 [0,1,0,1,0,0|2,0,0]=4 24091 B14R1.882 O=C1CCCCC1OCCOCCI 7a_100012149058_100000204591 [0,1,0,1,0,0|2,0,0]=4 24092 B14R1.882 O=C1CCCCC1OCCOCCO 34a_100011214950_100000692535 [0,1,0,1,0,0|2,0,0]=4 24093 B14R1.882 O=C1CCCCC1SCCCCCF 62a_100000204591_100000729378 [0,1,0,1,0,0|1,0,0]=3 24094 B14R1.882 O=C1CCCCC1SCCCCCF 62a_100000729378_100000204591 [0,1,0,1,0,0|1,0,0]=3 24095 B14R1.882 O=C1CCCCC1SCCCCCO 62a_100000204591_100000746330 [0,1,0,1,0,0|1,0,0]=3 24096 B14R1.882 O=C1CCCCC1SCCCCCO 62a_100000746330_100000204591 [0,1,0,1,0,0|1,0,0]=3 24097 B14R1.882 O=C1CCCCC1SCCOCCO 62a_100000204591_100011215305 [0,1,0,1,0,0|2,0,0]=4 24098 B14R1.882 O=C1CCCCC1SCCOCCO 62a_100011215305_100000204591 [0,1,0,1,0,0|2,0,0]=4 24099 B14R1.882 O=C1CCCCN1CCNCCCF 2230a_100160573077_100011934791 [0,1,0,1,0,0|2,0,0]=4 24100 B14R1.882 O=C1CCCCN1CCNCCCF 34a_100160573077_100011934791 [0,1,0,1,0,0|2,0,0]=4 24101 B14R1.882 O=C1CCCCN1CCNCCCO 2230a_100160573077_100000230001 [0,1,0,1,0,0|2,0,0]=4 24102 B14R1.882 O=C1CCCCN1CCNCCCO 34a_100160573077_100000230001 [0,1,0,1,0,0|2,0,0]=4 24103 B14R1.882 O=C1CCOCC1NCCCCCO 34a_100000762737_100012180262 [0,1,0,1,0,0|2,0,0]=4 24104 B14R1.882 O=C1CCOCC1OCCCCCBr 34a_100000746331_100012180262 [0,1,0,1,0,0|2,0,0]=4 24105 B14R1.882 O=C1CCOCC1OCCCCCBr 7a_100000746331_100012180262 [0,1,0,1,0,0|2,0,0]=4 24106 B14R1.882 O=C1CCOCC1OCCCCCCl 34a_100000746330_100012180262 [0,1,0,1,0,0|2,0,0]=4 24107 B14R1.882 O=C1CCOCC1OCCCCCCl 7a_100000746330_100012180262 [0,1,0,1,0,0|2,0,0]=4 24108 B14R1.882 O=C1CCOCC1OCCCCCI 34a_200012148887_100012180262 [0,1,0,1,0,0|2,0,0]=4 24109 B14R1.882 O=C1CCOCC1OCCCCCI 7a_200012148887_100012180262 [0,1,0,1,0,0|2,0,0]=4 24110 B14R1.882 O=C1CCOCC1SCCCCCF 62a_100000729378_100012180262 [0,1,0,1,0,0|2,0,0]=4 24111 B14R1.882 O=C1CCOCC1SCCCCCF 62a_100012180262_100000729378 [0,1,0,1,0,0|2,0,0]=4 24112 B14R1.882 O=C1CCOCC1SCCCCCO 62a_100000746330_100012180262 [0,1,0,1,0,0|2,0,0]=4 24113 B14R1.882 O=C1CCOCC1SCCCCCO 62a_100012180262_100000746330 [0,1,0,1,0,0|2,0,0]=4 24114 B14R1.882 O=C1NCCCC1NCCCCCF 2230a_100000747585_100000729378 [0,1,0,1,0,0|2,0,0]=4 24115 B14R1.882 O=C1NCCCC1NCCCCCF 34a_100000747585_100000729378 [0,1,0,1,0,0|2,0,0]=4 24116 B14R1.882 O=C1NCCCC1NCCCCCO 2230a_100000747585_100000746330 [0,1,0,1,0,0|2,0,0]=4 24117 B14R1.882 O=C1NCCCC1NCCCCCO 2230a_100000762737_100000687798 [0,1,0,1,0,0|2,0,0]=4 24118 B14R1.882 O=C1NCCCC1NCCCCCO 34a_100000747585_100000746330 [0,1,0,1,0,0|2,0,0]=4 24119 B14R1.882 O=C1NCCCC1NCCCCCO 34a_100000762737_100000687798 [0,1,0,1,0,0|2,0,0]=4 24120 B14R1.882 O=C1NCCCC1OCCCCCBr 34a_100000746331_100000687798 [0,1,0,1,0,0|2,0,0]=4 24121 B14R1.882 O=C1NCCCC1OCCCCCBr 7a_100000746331_100000687798 [0,1,0,1,0,0|2,0,0]=4 24122 B14R1.882 O=C1NCCCC1OCCCCCCl 34a_100000746330_100000687798 [0,1,0,1,0,0|2,0,0]=4 24123 B14R1.882 O=C1NCCCC1OCCCCCCl 7a_100000746330_100000687798 [0,1,0,1,0,0|2,0,0]=4 24124 B14R1.882 O=C1NCCCC1OCCCCCF 34a_100000073722_100000729378 [0,1,0,1,0,0|2,0,0]=4 24125 B14R1.882 O=C1NCCCC1OCCCCCI 34a_200012148887_100000687798 [0,1,0,1,0,0|2,0,0]=4 24126 B14R1.882 O=C1NCCCC1OCCCCCI 7a_200012148887_100000687798 [0,1,0,1,0,0|2,0,0]=4 24127 B14R1.882 O=C1NCCCC1OCCCCCO 34a_100000073722_100000746330 [0,1,0,1,0,0|2,0,0]=4 24128 B14R1.882 O=C1NCCCC1SCCCCCF 62a_100000687798_100000729378 [0,1,0,1,0,0|2,0,0]=4 24129 B14R1.882 O=C1NCCCC1SCCCCCF 62a_100000729378_100000687798 [0,1,0,1,0,0|2,0,0]=4 24130 B14R1.882 O=C1NCCCC1SCCCCCO 62a_100000687798_100000746330 [0,1,0,1,0,0|2,0,0]=4 24131 B14R1.882 O=C1NCCCC1SCCCCCO 62a_100000746330_100000687798 [0,1,0,1,0,0|2,0,0]=4 24132 B14R1.882 O=CCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000139335 [0,1,0,1,0,0|1,0,0]=3 24133 B14R1.882 O=CCCCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000139335 [0,1,0,1,0,0|2,0,0]=4 24134 B14R1.882 O=CCCCCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000139335 [0,1,0,1,0,0|2,0,0]=4 24135 B14R1.882 O=CCCCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000139335 [0,1,0,1,0,0|2,0,0]=4 24136 B14R1.882 O=CCCCCOC1CCCCC1Cl 7a_100000038908_100000139335 [0,1,0,1,0,0|1,0,0]=3 24137 B14R1.882 O=CCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000139335 [0,1,0,1,0,0|1,0,0]=3 24138 B14R1.882 O=CCCCCSC1CCCCC1=O 62a_100000139335_100000204591 [0,1,0,1,0,0|1,0,1]=4 24139 B14R1.882 O=CCCCCSC1CCCCC1=O 62a_100000204591_100000139335 [0,1,0,1,0,0|1,0,1]=4 24140 B14R1.882 O=CCCCCSC1CCCCC1F 62a_100000139335_100015423560 [0,1,0,1,0,0|1,0,0]=3 24141 B14R1.882 O=CCCCCSC1CCCCC1F 62a_100015423560_100000139335 [0,1,0,1,0,0|1,0,0]=3 24142 B14R1.882 O=CCCCCSC1CCCCC1O 62a_100000038908_100000139335 [0,1,0,1,0,0|1,0,0]=3 24143 B14R1.882 O=CCCCCSC1CCCCC1O 62a_100000139335_100000038908 [0,1,0,1,0,0|1,0,0]=3 24144 B14R1.882 O=CCCCOCC1CCCCC1=O 7a_100009861125_200011292268 [0,1,0,1,0,0|1,0,1]=4 24145 B14R1.916 CCCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210211 [0,1,0,1,0,0|1,0,1]=4 24146 B14R1.916 CCCCC(=O)CCN1CCCC1=O 1458a_100000210183_100000742232 [0,1,0,1,0,0|1,0,1]=4 24147 B14R1.916 CCCCC(=O)CCN1CCCC1=O 1458a_100000751031_100000210211 [0,1,0,1,0,0|1,0,1]=4 24148 B14R1.916 CCCCC(C)COC1CCCC1=O 34a_100011995851_100000709159 [0,1,0,1,0,0|1,0,0]=3 24149 B14R1.916 CCCCC(C)COC1CCCC1=O 7a_100011995851_100000211823 [0,1,0,1,0,0|1,0,0]=3 24150 B14R1.916 CCCCC(C)COC1CCOC1=O 34a_100011995851_100000211211 [0,1,0,1,0,0|2,0,0]=4 24151 B14R1.916 CCCCC(C)COC1CCOC1=O 7a_100011995851_100000211211 [0,1,0,1,0,0|2,0,0]=4 24152 B14R1.916 CCCCC(C)OCC1CCNC1=O 34a_100000133458_200011215066 [0,1,0,1,0,0|2,0,0]=4 24153 B14R1.916 CCCCC(C)SCN1CCCC1=O 62a_100000026320_200011215066 [0,1,0,1,0,0|2,0,0]=4 24154 B14R1.916 CCCCC(C)SCN1CCCC1=O 62a_200011215066_100000026320 [0,1,0,1,0,0|2,0,0]=4 24155 B14R1.916 CCCCN(C)CCN1CCCC1=O 2230a_100000207549_100000739059 [0,1,0,1,0,0|2,0,0]=4 24156 B14R1.916 CCCCN(C)CCN1CCCC1=O 269982a_100000207549_100000739059 [0,1,0,1,0,0|2,0,0]=4 24157 B14R1.916 CCCC[C@H](N)COC1CCCC1=O 34a_100011934283_100000709159 [0,1,0,1,0,0|1,0,0]=3 24158 B14R1.916 CCCC[C@H](N)COC1CCOC1=O 34a_100011934283_100000211211 [0,1,0,1,0,0|2,0,0]=4 24159 B14R1.916 CCCOC(C)CNC1CCCC1=O 2230a_100015185124_100000211823 [0,1,0,1,0,0|2,0,0]=4 24160 B14R1.916 CCCOC(C)CNC1CCCC1=O 34a_100015185124_100000709159 [0,1,0,1,0,0|2,0,0]=4 24161 B14R1.916 CCOCC(O)CNC1CCCC1=O 2230a_102515437182_100000211823 [0,1,0,1,0,0|2,0,0]=4 24162 B14R1.916 CCOCC(O)CNC1CCCC1=O 34a_102515437182_100000709159 [0,1,0,1,0,0|2,0,0]=4 24163 B14R1.916 CSCC[C@H](N)COC1CCCC1=O 34a_100011827619_100000709159 [0,1,0,1,0,0|2,0,0]=4 24164 B14R1.916 C[C@H](CCCO)CNC1CCCC1=O 2230a_100160569302_100000211823 [0,1,0,1,0,0|2,0,0]=4 24165 B14R1.916 C[C@H](CCCO)CNC1CCCC1=O 34a_100160569302_100000709159 [0,1,0,1,0,0|2,0,0]=4 24166 B14R1.935 CC(CCCCl)OCCC1CCC1=O 7a_200000718107_200016118888 [0,1,0,1,0,0|2,0,0]=4 24167 B14R1.935 CCCCC(C)NCCC1CCC1=O 2230a_100000126638_200016118888 [0,1,0,1,0,0|1,0,0]=3 24168 B14R1.935 CCCCC(C)OCCC1CCC1=O 7a_100000687866_200016118888 [0,1,0,1,0,0|1,0,0]=3 24169 B14R1.935 CCCCC(C)SCCC1CCC1=O 62a_200011215066_200016118888 [0,1,0,1,0,0|1,0,0]=3 24170 B14R1.935 CCCCC(C)SCCC1CCC1=O 62a_200016118888_200011215066 [0,1,0,1,0,0|1,0,0]=3 24171 B14R1.935 CCOCC(C)OCCC1CCC1=O 7a_100000718985_200016118888 [0,1,0,1,0,0|2,0,0]=4 24172 B14R1.938 CCCCC(=O)C1CCCCCC1=O 1458a_100000210183_100000243696 [0,1,0,1,0,0|0,0,1]=3 24173 B14R1.938 CCCCC(=O)C1CCCCNC1=O 1458a_100000210183_100000735217 [0,1,0,1,0,0|1,0,1]=4 24174 B14R1.938 CCCCN(C)C1CCCCCC1=O 269982a_100000207549_100000243696 [0,1,0,1,0,0|1,0,0]=3 24175 B14R1.938 CCCCN(C)C1CCCCNC1=O 2230a_100000207549_100000735217 [0,1,0,1,0,0|2,0,0]=4 24176 B14R1.938 CCCCN(C)C1CCCCNC1=O 269982a_100000207549_100000735217 [0,1,0,1,0,0|2,0,0]=4 24177 B14R1.938 CCOCC(=O)C1CCCCCC1=O 1458a_100000211967_100000243696 [0,1,0,1,0,0|1,0,1]=4 24178 B14R1.938 CCSCC(=O)C1CCCCCC1=O 1458a_100000230394_100000243696 [0,1,0,1,0,0|1,0,1]=4 24179 B14R1.938 CN(CCCO)C1CCCCCC1=O 269982a_100000213112_100000243696 [0,1,0,1,0,0|2,0,0]=4 24180 B14R1.938 COCCC(=O)C1CCCCCC1=O 1458a_100000749529_100000243696 [0,1,0,1,0,0|1,0,1]=4 24181 B14R1.938 COCCN(C)C1CCCCCC1=O 269982a_100000743101_100000243696 [0,1,0,1,0,0|2,0,0]=4 24182 B14R1.938 CSCCC(=O)C1CCCCCC1=O 1458a_100000174002_100000243696 [0,1,0,1,0,0|1,0,1]=4 24183 B14R1.938 CSCCN(C)C1CCCCCC1=O 269982a_100000686725_100000243696 [0,1,0,1,0,0|2,0,0]=4 24184 B14R1.939 C=CCCC(C)N1CCCCC1CC 270004a_100000210034_100000762624 [0,1,0,1,0,0|2,0,0]=4 24185 B14R1.939 C=CCCN(C)C1CCCCC1CC 270004a_100020639649_100000757040 [0,1,0,1,0,0|2,0,0]=4 24186 B14R1.943 C=CCCN(C)C1CCCC1CCC 270004a_100020639649_100000723119 [0,1,0,1,0,0|2,0,0]=4 24187 B14R1.946 C=CCCC(C)NC1CCCCC1C 270004a_100000211402_100000762624 [0,1,0,1,0,0|2,0,0]=4 24188 B14R1.946 CC(CCCCl)OC1CCCCC1=O 34a_200000718107_100000754470 [0,1,0,1,0,0|2,0,0]=4 24189 B14R1.946 CC(CCCCl)OC1CCCCC1=O 7a_200000718107_100000204591 [0,1,0,1,0,0|2,0,0]=4 24190 B14R1.946 CCCCC(C)NC1CCCNC1=O 2230a_100000126638_100000687798 [0,1,0,1,0,0|2,0,0]=4 24191 B14R1.946 CCCCC(C)NC1CCCNC1=O 2230a_100000747585_200011215066 [0,1,0,1,0,0|2,0,0]=4 24192 B14R1.946 CCCCC(C)NC1CCCNC1=O 270004a_100000747585_100000210087 [0,1,0,1,0,0|2,0,0]=4 24193 B14R1.946 CCCCC(C)NC1CCCNC1=O 34a_100000747585_200011215066 [0,1,0,1,0,0|2,0,0]=4 24194 B14R1.946 CCCCC(C)OC1CCCCC1=O 34a_100000687866_100000754470 [0,1,0,1,0,0|1,0,0]=3 24195 B14R1.946 CCCCC(C)OC1CCCCC1=O 34a_100011214950_200011215066 [0,1,0,1,0,0|1,0,0]=3 24196 B14R1.946 CCCCC(C)OC1CCCCC1=O 7a_100000687866_100000204591 [0,1,0,1,0,0|1,0,0]=3 24197 B14R1.946 CCCCC(C)OC1CCCNC1=O 34a_100000073722_200011215066 [0,1,0,1,0,0|2,0,0]=4 24198 B14R1.946 CCCCC(C)OC1CCCNC1=O 34a_100000687866_100000687798 [0,1,0,1,0,0|2,0,0]=4 24199 B14R1.946 CCCCC(C)OC1CCCNC1=O 7a_100000687866_100000687798 [0,1,0,1,0,0|2,0,0]=4 24200 B14R1.946 CCCCC(C)OC1COCCC1=O 34a_100000687866_100012180262 [0,1,0,1,0,0|2,0,0]=4 24201 B14R1.946 CCCCC(C)OC1COCCC1=O 7a_100000687866_100012180262 [0,1,0,1,0,0|2,0,0]=4 24202 B14R1.946 CCCCC(C)SC1CCCCC1=O 62a_100000204591_200011215066 [0,1,0,1,0,0|1,0,0]=3 24203 B14R1.946 CCCCC(C)SC1CCCCC1=O 62a_200011215066_100000204591 [0,1,0,1,0,0|1,0,0]=3 24204 B14R1.946 CCCCC(C)SC1CCCNC1=O 62a_100000687798_200011215066 [0,1,0,1,0,0|2,0,0]=4 24205 B14R1.946 CCCCC(C)SC1CCCNC1=O 62a_200011215066_100000687798 [0,1,0,1,0,0|2,0,0]=4 24206 B14R1.946 CCCCC(C)SC1COCCC1=O 62a_100012180262_200011215066 [0,1,0,1,0,0|2,0,0]=4 24207 B14R1.946 CCCCC(C)SC1COCCC1=O 62a_200011215066_100012180262 [0,1,0,1,0,0|2,0,0]=4 24208 B14R1.946 CCOCC(C)OC1CCCCC1=O 34a_100000718985_100000754470 [0,1,0,1,0,0|2,0,0]=4 24209 B14R1.946 CCOCC(C)OC1CCCCC1=O 7a_100000718985_100000204591 [0,1,0,1,0,0|2,0,0]=4 24210 B14R1.1237 C=CCCCCCN1C(CCC1C)C 2230a_100000687148_100000700193 [0,1,0,1,0,0|2,0,0]=4 24211 B14R1.1237 C=CCCCCCN1C(CCC1C)C 269982a_100000687148_100000700193 [0,1,0,1,0,0|2,0,0]=4 24212 B14R1.1237 C=CCCCCCN1C(CCC1C)C 34a_100000687148_100000700193 [0,1,0,1,0,0|2,0,0]=4 24213 B14R1.1237 CC1CCC(N1CCCCCC=O)C 2230a_100000687148_100000139337 [0,1,0,1,0,0|1,0,0]=3 24214 B14R1.1237 CC1CCC(N1CCCCCC=O)C 269982a_100000687148_100000139337 [0,1,0,1,0,0|1,0,0]=3 24215 B14R1.1237 CCCCCCNC1C(=O)CCC1=O 2230a_100000210581_100009820769 [0,1,0,1,0,0|1,0,1]=4 24216 B14R1.1237 CCCCCCOC1C(=O)CCC1=O 7a_100000210259_100009820769 [0,1,0,1,0,0|1,0,1]=4 24217 B14R1.1237 CCCCCCSC1C(=O)CCC1=O 62a_100000210314_100009820769 [0,1,0,1,0,0|1,0,1]=4 24218 B14R1.1237 CCCCCCSC1C(=O)CCC1=O 62a_100009820769_100000210757 [0,1,0,1,0,0|1,0,1]=4 24219 B14R1.1260 CCCOC1CN(C1)CCCCC=O 269982a_200020626125_100000139335 [0,1,0,1,0,0|2,0,0]=4 24220 B14R1.2470 C=CCCC(C)N1CCCCCCC1 270004a_100000211400_100000762624 [0,1,0,1,0,0|2,0,0]=4 24221 B14R1.2470 C=CCCN(C)C1CCCCCCC1 270004a_100020639649_100000210524 [0,1,0,1,0,0|2,0,0]=4 24222 B14R1.2596 C=CCCC(=O)CC1CCCCCC1 1458a_100000685095_100000754431 [0,1,0,1,0,0|1,0,1]=4 24223 B14R1.2596 C=CCCC(=O)CC1CCCCCC1 1458a_100000749702_200000696569 [0,1,0,1,0,0|1,0,1]=4 24224 B14R1.2596 C=CCCC(C)NC1CCCCCC1 270004a_100000210984_100000762624 [0,1,0,1,0,0|2,0,0]=4 24225 B14R1.2596 C=CCCC(C)OC1CCCCCC1 34a_100000765329_100011217769 [0,1,0,1,0,0|2,0,0]=4 24226 B14R1.2596 C=CCCN(C)CC1CCCCCC1 2230a_100020639649_200000696569 [0,1,0,1,0,0|2,0,0]=4 24227 B14R1.2596 C=CCCN(C)CC1CCCCCC1 269982a_100020639649_200000696569 [0,1,0,1,0,0|2,0,0]=4 24228 B14R1.3768 C=CCCCCCCC(=O)C1CCC1 1458a_100000209988_100011215473 [0,1,0,1,0,0|1,0,1]=4 24229 B14R1.3768 C=CCCCCCCC(=O)C1CCC1 1458a_100011809334_100000749161 [0,1,0,1,0,0|1,0,1]=4 24230 B14R1.3768 C=CCCCCCCN(C)C1CCC1 2230a_100000758072_100011215473 [0,1,0,1,0,0|2,0,0]=4 24231 B14R1.3768 C=CCCCCCCN(C)C1CCC1 269982a_100000758072_100011215473 [0,1,0,1,0,0|2,0,0]=4 24232 B14R1.3768 C=CCCCCCCN(C)C1CCC1 34a_100000758072_100011215473 [0,1,0,1,0,0|2,0,0]=4 24233 B14R1.3768 C=CCCCCCNC(C)C1CCC1 2230a_100016994624_100000700193 [0,1,0,1,0,0|2,0,0]=4 24234 B14R1.3768 C=CCCCCCNC(C)C1CCC1 34a_100016994624_100000700193 [0,1,0,1,0,0|2,0,0]=4 24235 B14R1.3768 C=CCCCCCOC(C)C1CCC1 34a_100000766398_100000700193 [0,1,0,1,0,0|2,0,0]=4 24236 B14R1.3768 C=CCCCCCOC(C)C1CCC1 7a_100000766398_100000700193 [0,1,0,1,0,0|2,0,0]=4 24237 B14R1.3768 CC(NCCCCCC=O)C1CCC1 2230a_100016994624_100000139337 [0,1,0,1,0,0|1,0,0]=3 24238 B14R1.3768 CC(OCCCCCC=O)C1CCC1 7a_100000766398_100000139337 [0,1,0,1,0,0|1,0,0]=3 24239 B14R1.3768 O=CCCCCSCC(=O)C1CCC1 62a_100000139335_100000686122 [0,1,0,1,0,0|1,0,1]=4 24240 B14R1.3768 O=CCCCCSCC(=O)C1CCC1 62a_100000686122_100000139335 [0,1,0,1,0,0|1,0,1]=4 24241 B14R1.3770 C=CCCCCCCC(=O)CC1CC1 1458a_100000738066_100011215473 [0,1,0,1,0,0|1,0,1]=4 24242 B14R1.3770 C=CCCCCCCC(=O)CC1CC1 1458a_100011809334_100000742324 [0,1,0,1,0,0|1,0,1]=4 24243 B14R1.3770 C=CCCCCCCN(C)CC1CC1 2230a_100000741881_100011215473 [0,1,0,1,0,0|2,0,0]=4 24244 B14R1.3770 C=CCCCCCCN(C)CC1CC1 269982a_100000741881_100011215473 [0,1,0,1,0,0|2,0,0]=4 24245 B14R1.4731 C=CCCCCCOC1(CCCC1)C 34a_100000751722_100000700193 [0,1,0,1,0,0|2,0,0]=4 24246 B14R1.4731 C=CCCCCCOC1(CCCC1)C 7a_100000751722_100000700193 [0,1,0,1,0,0|2,0,0]=4 24247 B14R1.4731 C=CCCCCNCC1(CCCC1)O 2230a_100000737848_100011215482 [0,1,0,1,0,0|2,0,0]=4 24248 B14R1.4731 C=CCCCCOCC1(CCCC1)N 34a_100000749328_100011215482 [0,1,0,1,0,0|2,0,0]=4 24249 B14R1.4731 C=CCCCNCCC1(CCCC1)O 34a_100000719956_100000757094 [0,1,0,1,0,0|2,0,0]=4 24250 B14R1.4731 CC1(CCCC1)OCCCCCC=O 7a_100000751722_100000139337 [0,1,0,1,0,0|1,0,0]=3 24251 B14R1.4731 CC1(CCOC1)NCCCCCC=O 2230a_100000693475_100000139337 [0,1,0,1,0,0|2,0,0]=4 24252 B14R1.4731 O=CCCCCNCC1(CCCC1)O 2230a_100000737848_100000139335 [0,1,0,1,0,0|1,0,0]=3 24253 B14R1.4734 C=CCCCCCCN1CC(C1)CC 2230a_100015205115_100011215473 [0,1,0,1,0,0|2,0,0]=4 24254 B14R1.4734 C=CCCCCCCN1CC(C1)CC 269982a_100015205115_100011215473 [0,1,0,1,0,0|2,0,0]=4 24255 B14R1.4734 CCN1CC(C1)NCCCCCC=O 2230a_200015199589_100000139337 [0,1,0,1,0,0|2,0,0]=4 24256 B14R1.4734 CO[C@H]1C[C@@H](C1)NCCCCCC=O 2230a_100121570643_100000139337 [0,1,0,1,0,0|2,0,0]=4 24257 B14R1.4734 O=CCCCCCSC1CC(C1)CO 62a_100000139337_100009874164 [0,1,0,1,0,0|2,0,0]=4 24258 B14R1.4734 O=CCCCCCSC1CC(C1)CO 62a_100009874164_100000139337 [0,1,0,1,0,0|2,0,0]=4 24259 B14R1.16946 C=CCCCCCCC(=O)C1CC1C 1458a_100000211227_100011215473 [0,1,0,1,0,0|1,0,1]=4 24260 B14R1.9 C=CCCCNC1CCCC(C1C)C 2230a_100000211273_100011713584 [0,1,0,1,0,0|2,0,0]=4 24261 B14R1.9 C=CCCCNC1CCCC(C1C)C 34a_100000211273_100000757094 [0,1,0,1,0,0|2,0,0]=4 24262 B14R1.9 C=CCCCOC1CCCC(C1C)C 34a_100011217532_100000757094 [0,1,0,1,0,0|2,0,0]=4 24263 B14R1.9 C=CCCCOC1CCCC(C1C)C 7a_100011217532_100000757094 [0,1,0,1,0,0|2,0,0]=4 24264 B14R1.9 CC1CCCC(C1C)NCCCC=O 2230a_100000211273_200011292268 [0,1,0,1,0,0|1,0,0]=3 24265 B14R1.9 CC1CCCC(C1C)OCCCC=O 7a_100011217532_200011292268 [0,1,0,1,0,0|1,0,0]=3 24266 B14R1.14 C=C1CCN(CC1)CCCCCC=O 2230a_100000752442_100000139337 [0,1,0,1,0,0|1,0,1]=4 24267 B14R1.14 C=C1CCN(CC1)CCCCCC=O 269982a_100000752442_100000139337 [0,1,0,1,0,0|1,0,1]=4 24268 B14R1.14 C=CCCCCCN1CCC(CC1)C 2230a_100000188429_100000700193 [0,1,0,1,0,0|2,0,0]=4 24269 B14R1.14 C=CCCCCCN1CCC(CC1)C 269982a_100000188429_100000700193 [0,1,0,1,0,0|2,0,0]=4 24270 B14R1.14 C=CCCCCCN1CCC(CC1)C 34a_100000188429_100000700193 [0,1,0,1,0,0|2,0,0]=4 24271 B14R1.14 C=CCCCCCN1CCC(CC1)F 2230a_100015193889_100000700193 [0,1,0,1,0,0|2,0,0]=4 24272 B14R1.14 C=CCCCCCN1CCC(CC1)F 269982a_100015193889_100000700193 [0,1,0,1,0,0|2,0,0]=4 24273 B14R1.14 C=CCCCCCN1CCC(CC1)F 34a_100015193889_100000700193 [0,1,0,1,0,0|2,0,0]=4 24274 B14R1.14 C=CCCCCCN1CCC(CC1)O 2230a_100025773856_100000700193 [0,1,0,1,0,0|2,0,0]=4 24275 B14R1.14 C=CCCCCCN1CCC(CC1)O 269982a_100025773856_100000700193 [0,1,0,1,0,0|2,0,0]=4 24276 B14R1.14 C=CCCCCNC1CCC(CC1)C 270004a_100000703577_100000185489 [0,1,0,1,0,0|2,0,0]=4 24277 B14R1.14 C=CCCCCNC1CCC(CC1)C 34a_100000703577_200011216234 [0,1,0,1,0,0|2,0,0]=4 24278 B14R1.14 C=CCCCCNC1CCC(CC1)O 270004a_100000703577_100000764474 [0,1,0,1,0,0|2,0,0]=4 24279 B14R1.14 C=CCCCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100011215482 [0,1,0,1,0,0|2,0,0]=4 24280 B14R1.14 C=CCCCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100011215482 [0,1,0,1,0,0|2,0,0]=4 24281 B14R1.14 C=CCCCCOC1CCC(CC1)C 34a_100000210714_100011215482 [0,1,0,1,0,0|2,0,0]=4 24282 B14R1.14 C=CCCCCOC1CCC(CC1)C 34a_100000766645_200011216234 [0,1,0,1,0,0|2,0,0]=4 24283 B14R1.14 C=CCCCCOC1CCC(CC1)C 7a_100000210714_100011215482 [0,1,0,1,0,0|2,0,0]=4 24284 B14R1.14 C=CCCCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100011215482 [0,1,0,1,0,0|2,0,0]=4 24285 B14R1.14 C=CCCCCSC1CCC(CC1)C 62a_100011215482_200011216234 [0,1,0,1,0,0|2,0,0]=4 24286 B14R1.14 C=CCCCNCC1CCC(CC1)C 2230a_103436935547_100011713584 [0,1,0,1,0,0|2,0,0]=4 24287 B14R1.14 C=CCCCNCC1CCC(CC1)C 34a_103436935547_100000757094 [0,1,0,1,0,0|2,0,0]=4 24288 B14R1.14 C=CCCCOCC1CCC(CC1)C 34a_100000701341_100000757094 [0,1,0,1,0,0|2,0,0]=4 24289 B14R1.14 C=CCCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000757094 [0,1,0,1,0,0|2,0,0]=4 24290 B14R1.14 C=CCCNCCC1CCC(CC1)O 34a_200011935226_100000754431 [0,1,0,1,0,0|2,0,0]=4 24291 B14R1.14 C=CCCOCCC1CCC(CC1)N 34a_100000070672_100000754431 [0,1,0,1,0,0|2,0,0]=4 24292 B14R1.14 CC1CCC(CC1)CNCCCC=O 2230a_103436935547_200011292268 [0,1,0,1,0,0|1,0,0]=3 24293 B14R1.14 CC1CCC(CC1)OCCCCC=O 7a_100000210714_100000139335 [0,1,0,1,0,0|1,0,0]=3 24294 B14R1.14 CC1CCC(CC1)SCCCCC=O 62a_100000139335_200011216234 [0,1,0,1,0,0|1,0,0]=3 24295 B14R1.14 CC1CCN(CC1)CCCCCC=O 2230a_100000188429_100000139337 [0,1,0,1,0,0|1,0,0]=3 24296 B14R1.14 CC1CCN(CC1)CCCCCC=O 269982a_100000188429_100000139337 [0,1,0,1,0,0|1,0,0]=3 24297 B14R1.14 CC1CCN(CC1)CCCOCC=O 34a_200000213400_200009817547 [0,1,0,1,0,0|2,0,0]=4 24298 B14R1.14 CN1CCC(CC1)CCCOCC=O 34a_100000083870_200009817547 [0,1,0,1,0,0|2,0,0]=4 24299 B14R1.14 CN1CCC(CC1)CCCOCC=O 7a_100000083870_200015260668 [0,1,0,1,0,0|2,0,0]=4 24300 B14R1.14 CN1CCC(CC1)CSCCCC=O 62a_100015183002_200011292268 [0,1,0,1,0,0|2,0,0]=4 24301 B14R1.14 CN1CCC(CC1)CSCCCC=O 62a_200011292268_100015183002 [0,1,0,1,0,0|2,0,0]=4 24302 B14R1.14 CN1CCC(CC1)SCCCCC=O 62a_100000139335_100011215917 [0,1,0,1,0,0|2,0,0]=4 24303 B14R1.14 CN1CCN(CC1)CCCCCC=O 2230a_100000188432_100000139337 [0,1,0,1,0,0|2,0,0]=4 24304 B14R1.14 CN1CCN(CC1)CCCCCC=O 269982a_100000188432_100000139337 [0,1,0,1,0,0|2,0,0]=4 24305 B14R1.14 C[C@H]1CC[C@@H](CC1)NCCCCC=O 2230a_100020625639_100000139335 [0,1,0,1,0,0|1,0,0]=3 24306 B14R1.14 O=CCCCCCN1CCC(CC1)F 2230a_100015193889_100000139337 [0,1,0,1,0,0|1,0,0]=3 24307 B14R1.14 O=CCCCCCN1CCC(CC1)F 269982a_100015193889_100000139337 [0,1,0,1,0,0|1,0,0]=3 24308 B14R1.14 O=CCCCCCN1CCC(CC1)O 2230a_100025773856_100000139337 [0,1,0,1,0,0|1,0,0]=3 24309 B14R1.14 O=CCCCCCN1CCC(CC1)O 269982a_100025773856_100000139337 [0,1,0,1,0,0|1,0,0]=3 24310 B14R1.14 O=CCCCCCN1CCS(=O)CC1 2230a_100000752083_100000139337 [0,1,0,1,0,0|2,0,0]=4 24311 B14R1.14 O=CCCCCCN1CCS(=O)CC1 269982a_100000752083_100000139337 [0,1,0,1,0,0|2,0,0]=4 24312 B14R1.14 O=CCCCCOC1CCC(=O)CC1 7a_100000764474_100000139335 [0,1,0,1,0,0|1,0,1]=4 24313 B14R1.228 C=CCCCNC1CCCC(C1)CC 270004a_100000700776_100000756783 [0,1,0,1,0,0|2,0,0]=4 24314 B14R1.228 C=CCCCOC1CCCC(C1)CC 7a_100011985506_100000757094 [0,1,0,1,0,0|2,0,0]=4 24315 B14R1.228 CCC1CCCC(C1)OCCCC=O 7a_100011985506_200011292268 [0,1,0,1,0,0|1,0,0]=3 24316 B14R1.228 CCC1CN(CCO1)CCCCC=O 2230a_100000736320_100000139335 [0,1,0,1,0,0|2,0,0]=4 24317 B14R1.228 CCC1CN(CCO1)CCCCC=O 269982a_100000736320_100000139335 [0,1,0,1,0,0|2,0,0]=4 24318 B14R1.228 CCN1CCC[C@H](C1)NCCCC=O 2230a_100025775482_200011292268 [0,1,0,1,0,0|2,0,0]=4 24319 B14R1.228 COC1CCCN(C1)CCCCC=O 2230a_100000695604_100000139335 [0,1,0,1,0,0|2,0,0]=4 24320 B14R1.228 COC1CCCN(C1)CCCCC=O 269982a_100000695604_100000139335 [0,1,0,1,0,0|2,0,0]=4 24321 B14R1.228 O=CCCCCN1CCCC(C1)CF 2230a_100016992999_100000139335 [0,1,0,1,0,0|2,0,0]=4 24322 B14R1.228 O=CCCCCN1CCCC(C1)CF 269982a_100016992999_100000139335 [0,1,0,1,0,0|2,0,0]=4 24323 B14R1.228 O=CCCCCN1CCCC(C1)CO 2230a_100000211344_100000139335 [0,1,0,1,0,0|2,0,0]=4 24324 B14R1.228 O=CCCCCN1CCCC(C1)CO 269982a_100000211344_100000139335 [0,1,0,1,0,0|2,0,0]=4 24325 B14R1.229 C#CCCCCCCCN1CCC1C 269982a_100000755817_100153394163 [0,1,0,1,0,0|1,0,1]=4 24326 B14R1.229 C#CCCCCCCCN1CCC1C 34a_100000755817_100153394163 [0,1,0,1,0,0|1,0,1]=4 24327 B14R1.229 C#CCCCCCCOC1CCC1=O 34a_100011217361_100009892977 [0,1,0,1,0,0|0,0,2]=4 24328 B14R1.229 C#CCCCCCCOC1CCC1=O 7a_100011217361_100009892977 [0,1,0,1,0,0|0,0,2]=4 24329 B14R1.229 C#CCCCCCCSC1CCC1=O 62a_100009892977_100012276617 [0,1,0,1,0,0|0,0,2]=4 24330 B14R1.229 C#CCCCCCCSC1CCC1=O 62a_100012276617_100009892977 [0,1,0,1,0,0|0,0,2]=4 24331 B14R1.229 C#CCCCCNCCC1CCC1=O 2230a_100000706060_200016118888 [0,1,0,1,0,0|0,0,2]=4 24332 B14R1.229 C#CCCCCOCCC1CCC1=O 7a_100000766709_200016118888 [0,1,0,1,0,0|0,0,2]=4 24333 B14R1.229 C#CCCCCSCCC1CCC1=O 62a_100010269958_200016118888 [0,1,0,1,0,0|0,0,2]=4 24334 B14R1.229 C#CCCCCSCCC1CCC1=O 62a_200016118888_100010269958 [0,1,0,1,0,0|0,0,2]=4 24335 B14R1.229 C=CCCCCCCCN1CCC1C 269982a_100000755817_100012355270 [0,1,0,1,0,0|1,0,0]=3 24336 B14R1.229 C=CCCCCCCCN1CCC1C 34a_100000755817_100012355270 [0,1,0,1,0,0|1,0,0]=3 24337 B14R1.229 C=CCCCCCCOC1CCC1=O 34a_200011216477_100009892977 [0,1,0,1,0,0|0,0,2]=4 24338 B14R1.229 C=CCCCCCCOC1CCC1=O 7a_200011216477_100009892977 [0,1,0,1,0,0|0,0,2]=4 24339 B14R1.229 C=CCCCCCCSC1CCC1=O 62a_100009892977_100011215473 [0,1,0,1,0,0|0,0,2]=4 24340 B14R1.229 C=CCCCCCCSC1CCC1=O 62a_100011215473_100009892977 [0,1,0,1,0,0|0,0,2]=4 24341 B14R1.229 C=CCCCCNCCC1CCC1=O 2230a_100000703577_200016118888 [0,1,0,1,0,0|0,0,2]=4 24342 B14R1.229 C=CCCCCOCCC1CCC1=O 7a_100000766645_200016118888 [0,1,0,1,0,0|0,0,2]=4 24343 B14R1.229 C=CCCCCSCCC1CCC1=O 62a_100011215482_200016118888 [0,1,0,1,0,0|0,0,2]=4 24344 B14R1.229 C=CCCCCSCCC1CCC1=O 62a_200016118888_100011215482 [0,1,0,1,0,0|0,0,2]=4 24345 B14R1.229 CC/C=C\CCCCOC1CCC1=O 34a_100016287862_100009892977 [0,1,0,1,0,0|0,0,2]=4 24346 B14R1.229 CC/C=C\CCCCOC1CCC1=O 7a_100016287862_100009892977 [0,1,0,1,0,0|0,0,2]=4 24347 B14R1.229 CC/C=C\CCOCCC1CCC1=O 7a_100016288707_200016118888 [0,1,0,1,0,0|0,0,2]=4 24348 B14R1.229 CC/C=C\CCSCCC1CCC1=O 62a_100015370543_200016118888 [0,1,0,1,0,0|0,0,2]=4 24349 B14R1.229 CC/C=C\CCSCCC1CCC1=O 62a_200016118888_100015370543 [0,1,0,1,0,0|0,0,2]=4 24350 B14R1.229 CC1CCN1CCCCCCCCO 269982a_100000755817_100000033203 [0,1,0,1,0,0|0,0,2]=4 24351 B14R1.229 CC1CCN1CCCCCCCCO 34a_100000755817_100000033203 [0,1,0,1,0,0|0,0,2]=4 24352 B14R1.229 CCC#CCCOCCC1CCC1=O 7a_100000036655_200016118888 [0,1,0,1,0,0|0,0,2]=4 24353 B14R1.229 CCC/C=C/COCCC1CCC1=O 7a_100016278788_200016118888 [0,1,0,1,0,0|0,0,2]=4 24354 B14R1.229 CCCC#CCOCCC1CCC1=O 7a_100000034806_200016118888 [0,1,0,1,0,0|0,0,2]=4 24355 B14R1.229 CCCC/C=C\CCOC1CCC1=O 34a_200016286491_100009892977 [0,1,0,1,0,0|0,0,2]=4 24356 B14R1.229 CCCC/C=C\CCOC1CCC1=O 7a_200016286491_100009892977 [0,1,0,1,0,0|0,0,2]=4 24357 B14R1.229 CCCCC#CCCOC1CCC1=O 34a_100000037610_100009892977 [0,1,0,1,0,0|0,0,2]=4 24358 B14R1.229 CCCCC#CCCOC1CCC1=O 7a_100000037610_100009892977 [0,1,0,1,0,0|0,0,2]=4 24359 B14R1.229 CCCCC/C=C/COC1CCC1=O 34a_100016258190_100009892977 [0,1,0,1,0,0|0,0,2]=4 24360 B14R1.229 CCCCC/C=C/COC1CCC1=O 7a_100016258190_100009892977 [0,1,0,1,0,0|0,0,2]=4 24361 B14R1.229 CCCCCC#CCOC1CCC1=O 34a_200000033628_100009892977 [0,1,0,1,0,0|0,0,2]=4 24362 B14R1.229 CCCCCC#CCOC1CCC1=O 7a_200000033628_100009892977 [0,1,0,1,0,0|0,0,2]=4 24363 B14R1.229 CCCCCC#CCSC1CCC1=O 62a_100009816472_100009892977 [0,1,0,1,0,0|0,0,2]=4 24364 B14R1.229 CCCCCC#CCSC1CCC1=O 62a_100009892977_100009816472 [0,1,0,1,0,0|0,0,2]=4 24365 B14R1.229 CCCCCCCCCN1CCC1C 269982a_100000755817_100000210670 [0,1,0,1,0,0|1,0,1]=4 24366 B14R1.229 CCCCCCCCCN1CCC1C 34a_100000755817_100011214924 [0,1,0,1,0,0|1,0,1]=4 24367 B14R1.229 CCCCCCCCNC1CCC1=O 34a_100000229939_100009892977 [0,1,0,1,0,0|0,0,0]=2 24368 B14R1.229 CCCCCCCCOC1CCC1=O 34a_100000210232_100009892977 [0,1,0,1,0,0|0,0,0]=2 24369 B14R1.229 CCCCCCCCOC1CCC1=O 7a_100000210232_100009892977 [0,1,0,1,0,0|0,0,0]=2 24370 B14R1.229 CCCCCCCCSC1CCC1=O 62a_100000210759_100009892977 [0,1,0,1,0,0|0,0,0]=2 24371 B14R1.229 CCCCCCCCSC1CCC1=O 62a_100009892977_100000210317 [0,1,0,1,0,0|0,0,0]=2 24372 B14R1.229 CCCCCCNCCC1CCC1=O 2230a_100000210581_200016118888 [0,1,0,1,0,0|0,0,0]=2 24373 B14R1.229 CCCCCCOCCC1CCC1=O 7a_100000210259_200016118888 [0,1,0,1,0,0|0,0,0]=2 24374 B14R1.229 CCCCCCSCCC1CCC1=O 62a_100000210314_200016118888 [0,1,0,1,0,0|0,0,0]=2 24375 B14R1.229 CCCCCCSCCC1CCC1=O 62a_200016118888_100000210757 [0,1,0,1,0,0|0,0,0]=2 24376 B14R1.229 CCCCCNCCOC1CCC1=O 34a_100000224656_100009892977 [0,1,0,1,0,0|1,0,0]=3 24377 B14R1.229 CCCCCOCCOC1CCC1=O 34a_100011215259_100009892977 [0,1,0,1,0,0|1,0,0]=3 24378 B14R1.229 CCCCCOCCOC1CCC1=O 7a_100011215259_100009892977 [0,1,0,1,0,0|1,0,0]=3 24379 B14R1.229 CCCCOCCCNC1CCC1=O 34a_200000211371_100009892977 [0,1,0,1,0,0|1,0,0]=3 24380 B14R1.229 CCCCOCCCOC1CCC1=O 34a_200011215613_100009892977 [0,1,0,1,0,0|1,0,0]=3 24381 B14R1.229 CCCCOCCCOC1CCC1=O 7a_200011215613_100009892977 [0,1,0,1,0,0|1,0,0]=3 24382 B14R1.229 CCCCOCSCCC1CCC1=O 62a_100011995733_200016118888 [0,1,0,1,0,0|1,0,0]=3 24383 B14R1.229 CCCCOCSCCC1CCC1=O 62a_200016118888_100011995733 [0,1,0,1,0,0|1,0,0]=3 24384 B14R1.229 CCCOCCNCCC1CCC1=O 2230a_100161115042_200016118888 [0,1,0,1,0,0|1,0,0]=3 24385 B14R1.229 CCCOCCOCCC1CCC1=O 7a_100000752267_200016118888 [0,1,0,1,0,0|1,0,0]=3 24386 B14R1.229 CCCOCCSCCC1CCC1=O 62a_100011215938_200016118888 [0,1,0,1,0,0|1,0,0]=3 24387 B14R1.229 CCCOCCSCCC1CCC1=O 62a_200016118888_100011215938 [0,1,0,1,0,0|1,0,0]=3 24388 B14R1.229 CCCSCCNCCC1CCC1=O 2230a_100020603323_200016118888 [0,1,0,1,0,0|1,0,0]=3 24389 B14R1.229 CCCSCCOCCC1CCC1=O 7a_200000230433_200016118888 [0,1,0,1,0,0|1,0,0]=3 24390 B14R1.229 CCOCCCNCCC1CCC1=O 2230a_100000210961_200016118888 [0,1,0,1,0,0|1,0,0]=3 24391 B14R1.229 CCOCCCOCCC1CCC1=O 7a_100000757476_200016118888 [0,1,0,1,0,0|1,0,0]=3 24392 B14R1.229 CCOCCCSCCC1CCC1=O 62a_100012232248_200016118888 [0,1,0,1,0,0|1,0,0]=3 24393 B14R1.229 CCOCCCSCCC1CCC1=O 62a_200016118888_100012232248 [0,1,0,1,0,0|1,0,0]=3 24394 B14R1.229 CCOCCOCCNC1CCC1=O 34a_100102712874_100009892977 [0,1,0,1,0,0|2,0,0]=4 24395 B14R1.229 CCOCCOCCOC1CCC1=O 34a_100000210240_100009892977 [0,1,0,1,0,0|2,0,0]=4 24396 B14R1.229 CCOCCOCCOC1CCC1=O 7a_100000210240_100009892977 [0,1,0,1,0,0|2,0,0]=4 24397 B14R1.229 CCOCCOCCSC1CCC1=O 62a_100009892977_100011211534 [0,1,0,1,0,0|2,0,0]=4 24398 B14R1.229 CCOCCOCCSC1CCC1=O 62a_100011211534_100009892977 [0,1,0,1,0,0|2,0,0]=4 24399 B14R1.229 CCSCCCOCCC1CCC1=O 7a_100011216438_200016118888 [0,1,0,1,0,0|1,0,0]=3 24400 B14R1.229 COCCCCCCOC1CCC1=O 34a_200012092642_100009892977 [0,1,0,1,0,0|1,0,0]=3 24401 B14R1.229 COCCCCCCOC1CCC1=O 7a_200012092642_100009892977 [0,1,0,1,0,0|1,0,0]=3 24402 B14R1.229 COCCCCCCSC1CCC1=O 62a_100009892977_100011998445 [0,1,0,1,0,0|1,0,0]=3 24403 B14R1.229 COCCCCCCSC1CCC1=O 62a_100011998445_100009892977 [0,1,0,1,0,0|1,0,0]=3 24404 B14R1.229 COCCCCSCCC1CCC1=O 62a_100000730899_200016118888 [0,1,0,1,0,0|1,0,0]=3 24405 B14R1.229 COCCCCSCCC1CCC1=O 62a_200016118888_100000730899 [0,1,0,1,0,0|1,0,0]=3 24406 B14R1.229 COCCOCCCNC1CCC1=O 34a_100000206027_100009892977 [0,1,0,1,0,0|2,0,0]=4 24407 B14R1.229 COCCOCCCSC1CCC1=O 62a_100009892977_100011216529 [0,1,0,1,0,0|2,0,0]=4 24408 B14R1.229 COCCOCCCSC1CCC1=O 62a_100011216529_100009892977 [0,1,0,1,0,0|2,0,0]=4 24409 B14R1.229 COCCOCSCCC1CCC1=O 62a_100000231047_200016118888 [0,1,0,1,0,0|2,0,0]=4 24410 B14R1.229 COCCOCSCCC1CCC1=O 62a_200016118888_100000231047 [0,1,0,1,0,0|2,0,0]=4 24411 B14R1.229 CSCCCCOCCC1CCC1=O 7a_100011217163_200016118888 [0,1,0,1,0,0|1,0,0]=3 24412 B14R1.229 N#CCCCCCCSC1CCC1=O 62a_100009813337_100009892977 [0,1,0,1,0,0|1,0,1]=4 24413 B14R1.229 N#CCCCCCCSC1CCC1=O 62a_100009892977_100009813337 [0,1,0,1,0,0|1,0,1]=4 24414 B14R1.229 N#CCCCCSCCC1CCC1=O 62a_100011219923_200016118888 [0,1,0,1,0,0|1,0,1]=4 24415 B14R1.229 N#CCCCCSCCC1CCC1=O 62a_200016118888_100000211819 [0,1,0,1,0,0|1,0,1]=4 24416 B14R1.229 NCCCCCCCOC1CCC1=O 34a_100011996573_100009892977 [0,1,0,1,0,0|1,0,0]=3 24417 B14R1.229 NCCCOCCCOC1CCC1=O 34a_100011310245_100009892977 [0,1,0,1,0,0|2,0,0]=4 24418 B14R1.229 O=C1CCC1CCNCCCCCO 2230a_100000762737_200016118888 [0,1,0,1,0,0|1,0,0]=3 24419 B14R1.229 O=C1CCC1CCNCCOCCO 2230a_100000211614_200016118888 [0,1,0,1,0,0|2,0,0]=4 24420 B14R1.229 O=C1CCC1CCNCCSCCO 2230a_100011219999_200016118888 [0,1,0,1,0,0|2,0,0]=4 24421 B14R1.229 O=C1CCC1CCOCCCCCBr 7a_100000746331_200016118888 [0,1,0,1,0,0|1,0,0]=3 24422 B14R1.229 O=C1CCC1CCOCCCCCCl 7a_100000746330_200016118888 [0,1,0,1,0,0|1,0,0]=3 24423 B14R1.229 O=C1CCC1CCOCCCCCI 7a_200012148887_200016118888 [0,1,0,1,0,0|1,0,0]=3 24424 B14R1.229 O=C1CCC1CCOCCOCCBr 7a_100000692535_200016118888 [0,1,0,1,0,0|2,0,0]=4 24425 B14R1.229 O=C1CCC1CCOCCOCCCl 7a_100011215305_200016118888 [0,1,0,1,0,0|2,0,0]=4 24426 B14R1.229 O=C1CCC1CCOCCOCCF 7a_200015357709_200016118888 [0,1,0,1,0,0|2,0,0]=4 24427 B14R1.229 O=C1CCC1CCOCCOCCI 7a_100012149058_200016118888 [0,1,0,1,0,0|2,0,0]=4 24428 B14R1.229 O=C1CCC1CCSCCCCCF 62a_100000729378_200016118888 [0,1,0,1,0,0|1,0,0]=3 24429 B14R1.229 O=C1CCC1CCSCCCCCF 62a_200016118888_100000729378 [0,1,0,1,0,0|1,0,0]=3 24430 B14R1.229 O=C1CCC1CCSCCCCCO 62a_100000746330_200016118888 [0,1,0,1,0,0|1,0,0]=3 24431 B14R1.229 O=C1CCC1CCSCCCCCO 62a_200016118888_100000746330 [0,1,0,1,0,0|1,0,0]=3 24432 B14R1.229 O=C1CCC1CCSCCOCCO 62a_100011215305_200016118888 [0,1,0,1,0,0|2,0,0]=4 24433 B14R1.229 O=C1CCC1CCSCCOCCO 62a_200016118888_100011215305 [0,1,0,1,0,0|2,0,0]=4 24434 B14R1.229 O=C1CCC1NCCCCCCCO 34a_100011996573_100009892977 [0,1,0,1,0,0|1,0,0]=3 24435 B14R1.229 O=C1CCC1NCCCOCCCO 34a_100011310245_100009892977 [0,1,0,1,0,0|2,0,0]=4 24436 B14R1.229 O=C1CCC1OCCCCCCCBr 34a_100000760002_100009892977 [0,1,0,1,0,0|1,0,0]=3 24437 B14R1.229 O=C1CCC1OCCCCCCCBr 7a_100000760002_100009892977 [0,1,0,1,0,0|1,0,0]=3 24438 B14R1.229 O=C1CCC1SCCCCCCCO 62a_100000760002_100009892977 [0,1,0,1,0,0|1,0,0]=3 24439 B14R1.229 O=C1CCC1SCCCCCCCO 62a_100009892977_100000760002 [0,1,0,1,0,0|1,0,0]=3 24440 B14R1.229 O=CCCCCSCCC1CCC1=O 62a_100000139335_200016118888 [0,1,0,1,0,0|1,0,1]=4 24441 B14R1.229 O=CCCCCSCCC1CCC1=O 62a_200016118888_100000139335 [0,1,0,1,0,0|1,0,1]=4 24442 B14R1.235 C[C@]1(CCCN1CCCCC=O)CO 2230a_100016195882_100000139335 [0,1,0,1,0,0|2,0,0]=4 24443 B14R1.235 C[C@]1(CCCN1CCCCC=O)CO 269982a_100016195882_100000139335 [0,1,0,1,0,0|2,0,0]=4 24444 B14R1.483 C=CC(O)CN1CCCCC1CCC 2230a_100000701414_100000730141 [0,1,0,1,0,0|2,0,0]=4 24445 B14R1.483 C=CC(O)CN1CCCCC1CCC 34a_100000701414_100000730141 [0,1,0,1,0,0|2,0,0]=4 24446 B14R1.483 C=CCC1CCCCC1NC(C)CC 269862a_100000209981_100011214939 [0,1,0,1,0,0|2,0,0]=4 24447 B14R1.483 C=CCC1CCCCC1NC(C)CC 270004a_100000209981_100011214939 [0,1,0,1,0,0|2,0,0]=4 24448 B14R1.709 CCC(=O)CCN1CCCCCC1=O 1458a_200011207554_100000210202 [0,1,0,1,0,0|1,0,1]=4 24449 B14R1.709 CCC(=O)CSC1CCCCCC1=O 62a_100000243696_100000747405 [0,1,0,1,0,0|1,0,1]=4 24450 B14R1.709 CCC(=O)CSC1CCCCCC1=O 62a_100000747405_100000243696 [0,1,0,1,0,0|1,0,1]=4 24451 B14R1.709 CCC(C)CNC1CCCCNC1=O 2230a_100000698827_100000748023 [0,1,0,1,0,0|2,0,0]=4 24452 B14R1.709 CCC(C)CNC1CCCCNC1=O 2230a_100020588543_100000735217 [0,1,0,1,0,0|2,0,0]=4 24453 B14R1.709 CCC(C)CNC1CCCCNC1=O 270004a_100000698827_100000243153 [0,1,0,1,0,0|2,0,0]=4 24454 B14R1.709 CCC(C)CNC1CCCCNC1=O 34a_100000698827_100000748023 [0,1,0,1,0,0|2,0,0]=4 24455 B14R1.709 CCC(C)CSC1CCCCCC1=O 62a_100000243696_100000748023 [0,1,0,1,0,0|1,0,0]=3 24456 B14R1.709 CCC(C)CSC1CCCCCC1=O 62a_100000748023_100000243696 [0,1,0,1,0,0|1,0,0]=3 24457 B14R1.709 CCC(C)CSC1CCCCNC1=O 62a_100000735217_100000748023 [0,1,0,1,0,0|2,0,0]=4 24458 B14R1.709 CCC(C)CSC1CCCCNC1=O 62a_100000748023_100000735217 [0,1,0,1,0,0|2,0,0]=4 24459 B14R1.709 CCC(O)CNC1CCCCNC1=O 2230a_100000698827_100011218378 [0,1,0,1,0,0|2,0,0]=4 24460 B14R1.709 CCC(O)CNC1CCCCNC1=O 2230a_100011218483_100000735217 [0,1,0,1,0,0|2,0,0]=4 24461 B14R1.709 CCC(O)CNC1CCCCNC1=O 34a_100000698827_100011218378 [0,1,0,1,0,0|2,0,0]=4 24462 B14R1.709 CCC(O)CSC1CCCCCC1=O 62a_100000243696_100011218378 [0,1,0,1,0,0|1,0,0]=3 24463 B14R1.709 CCC(O)CSC1CCCCCC1=O 62a_100011218378_100000243696 [0,1,0,1,0,0|1,0,0]=3 24464 B14R1.709 CCC(O)CSC1CCCCNC1=O 62a_100000735217_100011218378 [0,1,0,1,0,0|2,0,0]=4 24465 B14R1.709 CCC(O)CSC1CCCCNC1=O 62a_100011218378_100000735217 [0,1,0,1,0,0|2,0,0]=4 24466 B14R1.709 CC[C@H](C)CNC1CCCCNC1=O 2230a_100000698827_100009816398 [0,1,0,1,0,0|2,0,0]=4 24467 B14R1.709 CC[C@H](C)CNC1CCCCNC1=O 34a_100000698827_100009816398 [0,1,0,1,0,0|2,0,0]=4 24468 B14R1.709 CC[C@H](C)COC1CCCCCC1=O 7a_100009816381_100000243696 [0,1,0,1,0,0|1,0,0]=3 24469 B14R1.709 CC[C@H](C)COC1CCCCNC1=O 7a_100009816381_100000735217 [0,1,0,1,0,0|2,0,0]=4 24470 B14R1.709 CC[C@H](C)CSC1CCCCCC1=O 62a_100000243696_100009816398 [0,1,0,1,0,0|1,0,0]=3 24471 B14R1.709 CC[C@H](C)CSC1CCCCCC1=O 62a_100009816398_100000243696 [0,1,0,1,0,0|1,0,0]=3 24472 B14R1.709 CC[C@H](C)CSC1CCCCNC1=O 62a_100000735217_100009816398 [0,1,0,1,0,0|2,0,0]=4 24473 B14R1.709 CC[C@H](C)CSC1CCCCNC1=O 62a_100009816398_100000735217 [0,1,0,1,0,0|2,0,0]=4 24474 B14R1.709 C[C@@H](CO)CSC1CCCCCC1=O 62a_100000059175_100000243696 [0,1,0,1,0,0|2,0,0]=4 24475 B14R1.709 C[C@@H](CO)CSC1CCCCCC1=O 62a_100000243696_100000059175 [0,1,0,1,0,0|2,0,0]=4 24476 B14R1.709 O=C1CCCCCC1SCC(O)CO 62a_100000243696_100011219619 [0,1,0,1,0,0|2,0,0]=4 24477 B14R1.709 O=C1CCCCCC1SCC(O)CO 62a_100011219619_100000243696 [0,1,0,1,0,0|2,0,0]=4 24478 B14R1.709 O=C1CCCCCC1SC[C@@H](O)CF 62a_100000243696_100015614560 [0,1,0,1,0,0|2,0,0]=4 24479 B14R1.709 O=C1CCCCCC1SC[C@@H](O)CF 62a_100015614560_100000243696 [0,1,0,1,0,0|2,0,0]=4 24480 B14R1.709 O=C1CCCCCC1SC[C@@H](O)CO 62a_100000243696_100009815848 [0,1,0,1,0,0|2,0,0]=4 24481 B14R1.709 O=C1CCCCCC1SC[C@@H](O)CO 62a_100009815848_100000243696 [0,1,0,1,0,0|2,0,0]=4 24482 B14R1.716 C=CC(C)COCCC1CCCCC1 34a_100011215527_100011209188 [0,1,0,1,0,0|2,0,0]=4 24483 B14R1.716 C=CC(C)COCCC1CCCCC1 7a_100011215527_100011273959 [0,1,0,1,0,0|2,0,0]=4 24484 B14R1.716 C=CC(C)OCCCC1CCCCC1 34a_100000695699_100011713725 [0,1,0,1,0,0|2,0,0]=4 24485 B14R1.716 C=CC(C)SCCCC1CCCCC1 62a_100011215867_100011713725 [0,1,0,1,0,0|2,0,0]=4 24486 B14R1.716 C=CC(O)CNCCC1CCCCC1 2230a_100000738074_100000730141 [0,1,0,1,0,0|2,0,0]=4 24487 B14R1.716 C=CC(O)CNCCC1CCCCC1 34a_100000738074_100000730141 [0,1,0,1,0,0|2,0,0]=4 24488 B14R1.716 C=CC(O)COCCC1CCCCC1 34a_100011217863_100000730141 [0,1,0,1,0,0|2,0,0]=4 24489 B14R1.716 C=CC(O)COCCC1CCCCC1 7a_100011217863_100000730141 [0,1,0,1,0,0|2,0,0]=4 24490 B14R1.716 C=CC(O)CSCCC1CCCCC1 62a_100000730141_100012355289 [0,1,0,1,0,0|2,0,0]=4 24491 B14R1.716 C=CC(O)CSCCC1CCCCC1 62a_100012355289_100000730141 [0,1,0,1,0,0|2,0,0]=4 24492 B14R1.716 C=C[C@H](N)COCCC1CCCCC1 34a_100016989147_100011209188 [0,1,0,1,0,0|2,0,0]=4 24493 B14R1.716 CCC(C)CCCOC1C=CCCC1 7a_100011216074_100000751183 [0,1,0,1,0,0|2,0,0]=4 24494 B14R1.730 C=CC(C)COCCCC1CCCC1 34a_100011215527_100011713738 [0,1,0,1,0,0|2,0,0]=4 24495 B14R1.730 C=CC(C)COCCCC1CCCC1 7a_100011215527_100011713738 [0,1,0,1,0,0|2,0,0]=4 24496 B14R1.730 C=CC(O)CNCCCC1CCCC1 2230a_100000736752_100000730141 [0,1,0,1,0,0|2,0,0]=4 24497 B14R1.730 C=CC(O)CNCCCC1CCCC1 34a_100000736752_100000730141 [0,1,0,1,0,0|2,0,0]=4 24498 B14R1.730 C=CC(O)COCCCC1CCCC1 34a_100011215328_100000730141 [0,1,0,1,0,0|2,0,0]=4 24499 B14R1.730 C=CC(O)COCCCC1CCCC1 7a_100011215328_100000730141 [0,1,0,1,0,0|2,0,0]=4 24500 B14R1.730 C=CC(O)CSCCCC1CCCC1 62a_100000730141_100011713738 [0,1,0,1,0,0|2,0,0]=4 24501 B14R1.730 C=CC(O)CSCCCC1CCCC1 62a_100011713738_100000730141 [0,1,0,1,0,0|2,0,0]=4 24502 B14R1.730 C=C[C@H](N)COCCCC1CCCC1 34a_100016989147_100011713738 [0,1,0,1,0,0|2,0,0]=4 24503 B14R1.819 CCC(C)CCCOC1CCCC1=O 7a_100011216074_100000211823 [0,1,0,1,0,0|1,0,0]=3 24504 B14R1.819 CCC(C)CCCOC1CCOC1=O 7a_100011216074_100000211211 [0,1,0,1,0,0|2,0,0]=4 24505 B14R1.819 CCC(C)CNCCN1CCCC1=O 2230a_100011200922_100000748023 [0,1,0,1,0,0|2,0,0]=4 24506 B14R1.819 CCC(C)CNCCN1CCCC1=O 2230a_100020588543_100000739059 [0,1,0,1,0,0|2,0,0]=4 24507 B14R1.819 CCC(C)CNCCN1CCCC1=O 270004a_100011200922_100000243153 [0,1,0,1,0,0|2,0,0]=4 24508 B14R1.819 CCC(C)COCCN1CCCC1=O 34a_100000211209_100000748023 [0,1,0,1,0,0|2,0,0]=4 24509 B14R1.819 CCC(C)COCCN1CCCC1=O 7a_100000211209_100000748023 [0,1,0,1,0,0|2,0,0]=4 24510 B14R1.819 CCC(C)CSCCN1CCCC1=O 62a_100000739059_100000748023 [0,1,0,1,0,0|2,0,0]=4 24511 B14R1.819 CCC(C)CSCCN1CCCC1=O 62a_100000748023_100000739059 [0,1,0,1,0,0|2,0,0]=4 24512 B14R1.819 CCC(C)NCCCN1CCCC1=O 2230a_100000210347_100000758301 [0,1,0,1,0,0|2,0,0]=4 24513 B14R1.819 CCC(C)NCCCN1CCCC1=O 34a_100000210347_100011215416 [0,1,0,1,0,0|2,0,0]=4 24514 B14R1.819 CCC(C)OCCCN1CCCC1=O 34a_100011216539_100011215416 [0,1,0,1,0,0|2,0,0]=4 24515 B14R1.819 CCC(C)OCCCN1CCCC1=O 7a_100011216539_100000758301 [0,1,0,1,0,0|2,0,0]=4 24516 B14R1.819 CCC(O)CNCCN1CCCC1=O 2230a_100011200922_100011218378 [0,1,0,1,0,0|2,0,0]=4 24517 B14R1.819 CCC(O)CNCCN1CCCC1=O 2230a_100011218483_100000739059 [0,1,0,1,0,0|2,0,0]=4 24518 B14R1.819 CCC(O)COCCN1CCCC1=O 34a_100000211209_100011218378 [0,1,0,1,0,0|2,0,0]=4 24519 B14R1.819 CCC(O)COCCN1CCCC1=O 7a_100000211209_100011218378 [0,1,0,1,0,0|2,0,0]=4 24520 B14R1.819 CCC(O)CSCCN1CCCC1=O 62a_100000739059_100011218378 [0,1,0,1,0,0|2,0,0]=4 24521 B14R1.819 CCC(O)CSCCN1CCCC1=O 62a_100011218378_100000739059 [0,1,0,1,0,0|2,0,0]=4 24522 B14R1.819 CCN(C)CCCSC1CCCC1=O 62a_100000211823_100015186262 [0,1,0,1,0,0|2,0,0]=4 24523 B14R1.819 CC[C@H](C)CNCCN1CCCC1=O 2230a_100011200922_100009816398 [0,1,0,1,0,0|2,0,0]=4 24524 B14R1.819 CC[C@H](C)COCCN1CCCC1=O 34a_100000211209_100009816398 [0,1,0,1,0,0|2,0,0]=4 24525 B14R1.819 CC[C@H](C)COCCN1CCCC1=O 7a_100000211209_100009816398 [0,1,0,1,0,0|2,0,0]=4 24526 B14R1.819 CC[C@H](C)COCCN1CCCC1=O 7a_100009816381_100000739059 [0,1,0,1,0,0|2,0,0]=4 24527 B14R1.819 CC[C@H](C)CSCCN1CCCC1=O 62a_100000739059_100009816398 [0,1,0,1,0,0|2,0,0]=4 24528 B14R1.819 CC[C@H](C)CSCCN1CCCC1=O 62a_100009816398_100000739059 [0,1,0,1,0,0|2,0,0]=4 24529 B14R1.819 C[C@@H](CN)CCCOC1CCCC1=O 34a_100160569302_100000709159 [0,1,0,1,0,0|2,0,0]=4 24530 B14R1.831 CC(CO)CCNCCC1CCC1=O 2230a_106354213184_200016118888 [0,1,0,1,0,0|2,0,0]=4 24531 B14R1.831 CCC(C)CCNCCC1CCC1=O 2230a_100020591266_200016118888 [0,1,0,1,0,0|1,0,0]=3 24532 B14R1.831 CCC(C)CCOCCC1CCC1=O 7a_100011215188_200016118888 [0,1,0,1,0,0|1,0,0]=3 24533 B14R1.831 COC(C)CCOCCC1CCC1=O 7a_100000764861_200016118888 [0,1,0,1,0,0|2,0,0]=4 24534 B14R1.837 CC(CO)CCNC1CCCCC1=O 34a_106354213184_100000754470 [0,1,0,1,0,0|2,0,0]=4 24535 B14R1.837 CCC(=O)CCCN1CCCCC1=O 1458a_100011236284_100000210202 [0,1,0,1,0,0|1,0,1]=4 24536 B14R1.837 CCC(=O)COCC1CCCCC1=O 7a_100009861125_100000747405 [0,1,0,1,0,0|1,0,1]=4 24537 B14R1.837 CCC(C)CCNC1CCCNC1=O 2230a_100020591266_100000687798 [0,1,0,1,0,0|2,0,0]=4 24538 B14R1.837 CCC(C)CCOC1CCCCC1=O 7a_100011215188_100000204591 [0,1,0,1,0,0|1,0,0]=3 24539 B14R1.837 CCC(C)CCOC1CCCNC1=O 7a_100011215188_100000687798 [0,1,0,1,0,0|2,0,0]=4 24540 B14R1.837 CCC(C)CCOC1COCCC1=O 7a_100011215188_100012180262 [0,1,0,1,0,0|2,0,0]=4 24541 B14R1.837 CCC(C)COCC1CCCCC1=O 34a_100009861125_100000748023 [0,1,0,1,0,0|1,0,0]=3 24542 B14R1.837 CCC(C)COCC1CCCCC1=O 7a_100009861125_100000748023 [0,1,0,1,0,0|1,0,0]=3 24543 B14R1.837 CCC(C)NCCN1CCCCC1=O 2230a_100160573077_100000758301 [0,1,0,1,0,0|2,0,0]=4 24544 B14R1.837 CCC(C)NCCN1CCCCC1=O 34a_100160573077_100011215416 [0,1,0,1,0,0|2,0,0]=4 24545 B14R1.837 CCC(O)COCC1CCCCC1=O 34a_100009861125_100011218378 [0,1,0,1,0,0|1,0,0]=3 24546 B14R1.837 CCC(O)COCC1CCCCC1=O 7a_100009861125_100011218378 [0,1,0,1,0,0|1,0,0]=3 24547 B14R1.837 CC[C@H](C)COCC1CCCCC1=O 34a_100009861125_100009816398 [0,1,0,1,0,0|1,0,0]=3 24548 B14R1.837 CC[C@H](C)COCC1CCCCC1=O 7a_100009861125_100009816398 [0,1,0,1,0,0|1,0,0]=3 24549 B14R1.837 COC(C)CCOC1CCCCC1=O 7a_100000764861_100000204591 [0,1,0,1,0,0|2,0,0]=4 24550 B14R1.837 C[C@@H](CO)COCC1CCCCC1=O 34a_100009861125_100000059175 [0,1,0,1,0,0|2,0,0]=4 24551 B14R1.837 C[C@@H](CO)COCC1CCCCC1=O 7a_100009861125_100000059175 [0,1,0,1,0,0|2,0,0]=4 24552 B14R1.837 O=C1CCCCC1COCC(O)CO 34a_100009861125_100011219619 [0,1,0,1,0,0|2,0,0]=4 24553 B14R1.837 O=C1CCCCC1COCC(O)CO 7a_100009861125_100011219619 [0,1,0,1,0,0|2,0,0]=4 24554 B14R1.837 O=C1CCCCC1COC[C@@H](O)CF 34a_100009861125_100015614560 [0,1,0,1,0,0|2,0,0]=4 24555 B14R1.837 O=C1CCCCC1COC[C@@H](O)CF 7a_100009861125_100015614560 [0,1,0,1,0,0|2,0,0]=4 24556 B14R1.837 O=C1CCCCC1COC[C@@H](O)CO 34a_100009861125_100009815848 [0,1,0,1,0,0|2,0,0]=4 24557 B14R1.837 O=C1CCCCC1COC[C@@H](O)CO 7a_100009861125_100009815848 [0,1,0,1,0,0|2,0,0]=4 24558 B14R1.845 CNC1CCCCCCCCCCC1 2230a_100011194316_200000210301 [0,1,0,1,0,0|1,0,1]=4 24559 B14R1.845 CNC1CCCCCCCCCCC1 270004a_106832991635_100000210130 [0,1,0,1,0,0|1,0,1]=4 24560 B14R1.845 CNC1CCCCCCCCCCC1 34a_100011194316_200000210301 [0,1,0,1,0,0|1,0,1]=4 24561 B14R1.845 COC1CCCCCCCCCCC1 34a_100000211378_200000210301 [0,1,0,1,0,0|0,0,2]=4 24562 B14R1.845 COC1CCCCCCCCCCC1 7a_100000211378_200000210301 [0,1,0,1,0,0|0,0,2]=4 24563 B14R1.845 [13CH3]NC1CCCCCCCCCCC1 2230a_100011194316_200025704644 [0,1,0,1,0,0|1,0,1]=4 24564 B14R1.845 [13CH3]NC1CCCCCCCCCCC1 34a_100011194316_200025704644 [0,1,0,1,0,0|1,0,1]=4 24565 B14R1.845 [13CH3]OC1CCCCCCCCCCC1 34a_100000211378_200025704644 [0,1,0,1,0,0|0,0,2]=4 24566 B14R1.845 [13CH3]OC1CCCCCCCCCCC1 7a_100000211378_200025704644 [0,1,0,1,0,0|0,0,2]=4 24567 B14R1.863 C=CC(O)COC1CCCCC1CC 34a_100000210738_100000730141 [0,1,0,1,0,0|2,0,0]=4 24568 B14R1.863 C=CC(O)COC1CCCCC1CC 7a_100000210738_100000730141 [0,1,0,1,0,0|2,0,0]=4 24569 B14R1.891 BrCCCCCCCCOC1CCC1 34a_100009813846_100000749161 [0,1,0,1,0,0|1,0,1]=4 24570 B14R1.891 BrCCCCCCCOCC1CCC1 34a_100000760002_100000763275 [0,1,0,1,0,0|1,0,1]=4 24571 B14R1.891 BrCCCCCCCOCC1CCC1 7a_100000760002_100000763275 [0,1,0,1,0,0|1,0,1]=4 24572 B14R1.891 C#CCCCCCCCNC1CCC1 2230a_100000749019_100153394163 [0,1,0,1,0,0|1,0,1]=4 24573 B14R1.891 C#CCCCCCCCNC1CCC1 34a_100000749019_100153394163 [0,1,0,1,0,0|1,0,1]=4 24574 B14R1.891 C#CCCCCCCCOC1CCC1 34a_100000054614_100000749161 [0,1,0,1,0,0|1,0,1]=4 24575 B14R1.891 C#CCCCCCCCOC1CCC1 34a_100000748187_100153394163 [0,1,0,1,0,0|1,0,1]=4 24576 B14R1.891 C#CCCCCCCCSC1CCC1 62a_100153394163_100000749161 [0,1,0,1,0,0|1,0,1]=4 24577 B14R1.891 C#CCCCCCCNCC1CCC1 2230a_100000738700_100012276617 [0,1,0,1,0,0|1,0,1]=4 24578 B14R1.891 C#CCCCCCCNCC1CCC1 34a_100000738700_100012276617 [0,1,0,1,0,0|1,0,1]=4 24579 B14R1.891 C#CCCCCCCOCC1CCC1 34a_100000760304_100012276617 [0,1,0,1,0,0|1,0,1]=4 24580 B14R1.891 C#CCCCCCCOCC1CCC1 34a_100011217361_100000763275 [0,1,0,1,0,0|1,0,1]=4 24581 B14R1.891 C#CCCCCCCOCC1CCC1 7a_100011217361_100000763275 [0,1,0,1,0,0|1,0,1]=4 24582 B14R1.891 C#CCCCCCCSCC1CCC1 62a_100000763275_100012276617 [0,1,0,1,0,0|1,0,1]=4 24583 B14R1.891 C#CCCCCCCSCC1CCC1 62a_100012276617_100000763275 [0,1,0,1,0,0|1,0,1]=4 24584 B14R1.891 C=CCCCCCCCCN1CCC1 269982a_100000754969_100011933949 [0,1,0,1,0,0|1,0,0]=3 24585 B14R1.891 C=CCCCCCCCNC1CCC1 2230a_100000749019_100012355270 [0,1,0,1,0,0|1,0,0]=3 24586 B14R1.891 C=CCCCCCCCNC1CCC1 34a_100000749019_100012355270 [0,1,0,1,0,0|1,0,0]=3 24587 B14R1.891 C=CCCCCCCCNC1COC1 2230a_100016991112_100012355270 [0,1,0,1,0,0|2,0,0]=4 24588 B14R1.891 C=CCCCCCCCOC1CCC1 34a_100000730831_100000749161 [0,1,0,1,0,0|1,0,0]=3 24589 B14R1.891 C=CCCCCCCCOC1CCC1 34a_100000748187_100012355270 [0,1,0,1,0,0|1,0,0]=3 24590 B14R1.891 C=CCCCCCCCOC1COC1 34a_100000730831_100009818527 [0,1,0,1,0,0|2,0,0]=4 24591 B14R1.891 C=CCCCCCCCOC1COC1 7a_100000730831_100009818527 [0,1,0,1,0,0|2,0,0]=4 24592 B14R1.891 C=CCCCCCCCOC1CSC1 7a_100000072292_100012355270 [0,1,0,1,0,0|2,0,0]=4 24593 B14R1.891 C=CCCCCCCCSC1CCC1 62a_100012355270_100000749161 [0,1,0,1,0,0|1,0,0]=3 24594 B14R1.891 C=CCCCCCCCSC1COC1 62a_100012355270_100009818527 [0,1,0,1,0,0|2,0,0]=4 24595 B14R1.891 C=CCCCCCCNCC1CCC1 2230a_100000738700_100011215473 [0,1,0,1,0,0|1,0,0]=3 24596 B14R1.891 C=CCCCCCCNCC1CCC1 34a_100000738700_100011215473 [0,1,0,1,0,0|1,0,0]=3 24597 B14R1.891 C=CCCCCCCNCC1COC1 2230a_100015281925_100011215473 [0,1,0,1,0,0|2,0,0]=4 24598 B14R1.891 C=CCCCCCCNCC1COC1 34a_100015281925_100011215473 [0,1,0,1,0,0|2,0,0]=4 24599 B14R1.891 C=CCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100011215473 [0,1,0,1,0,0|2,0,0]=4 24600 B14R1.891 C=CCCCCCCNC[C@@H]1CCO1 34a_100020831831_100011215473 [0,1,0,1,0,0|2,0,0]=4 24601 B14R1.891 C=CCCCCCCOCC1CCC1 34a_100000760304_100011215473 [0,1,0,1,0,0|1,0,0]=3 24602 B14R1.891 C=CCCCCCCOCC1CCC1 34a_200011216477_100000763275 [0,1,0,1,0,0|1,0,0]=3 24603 B14R1.891 C=CCCCCCCOCC1CCC1 7a_200011216477_100000763275 [0,1,0,1,0,0|1,0,0]=3 24604 B14R1.891 C=CCCCCCCOCC1CCO1 34a_100000039022_100011215473 [0,1,0,1,0,0|2,0,0]=4 24605 B14R1.891 C=CCCCCCCOCC1CCO1 34a_200011216477_100000103362 [0,1,0,1,0,0|2,0,0]=4 24606 B14R1.891 C=CCCCCCCOCC1CCO1 7a_200011216477_100000103362 [0,1,0,1,0,0|2,0,0]=4 24607 B14R1.891 C=CCCCCCCOCC1CNC1 34a_100016987283_100011215473 [0,1,0,1,0,0|2,0,0]=4 24608 B14R1.891 C=CCCCCCCOCC1COC1 34a_100000060846_100011215473 [0,1,0,1,0,0|2,0,0]=4 24609 B14R1.891 C=CCCCCCCOCC1COC1 34a_200011216477_100010264016 [0,1,0,1,0,0|2,0,0]=4 24610 B14R1.891 C=CCCCCCCOCC1COC1 7a_200011216477_100010264016 [0,1,0,1,0,0|2,0,0]=4 24611 B14R1.891 C=CCCCCCCSCC1CCC1 62a_100000763275_100011215473 [0,1,0,1,0,0|1,0,0]=3 24612 B14R1.891 C=CCCCCCCSCC1CCC1 62a_100011215473_100000763275 [0,1,0,1,0,0|1,0,0]=3 24613 B14R1.891 C=CCCCCCCSCC1CCO1 62a_100000103362_100011215473 [0,1,0,1,0,0|2,0,0]=4 24614 B14R1.891 C=CCCCCCCSCC1CCO1 62a_100011215473_100000103362 [0,1,0,1,0,0|2,0,0]=4 24615 B14R1.891 C=CCCCCCCSCC1COC1 62a_100010264016_100011215473 [0,1,0,1,0,0|2,0,0]=4 24616 B14R1.891 C=CCCCCCCSCC1COC1 62a_100011215473_100010264016 [0,1,0,1,0,0|2,0,0]=4 24617 B14R1.891 C=CCCCCCOCCC1COC1 34a_100009855314_100000700193 [0,1,0,1,0,0|2,0,0]=4 24618 B14R1.891 CCCCCCCCCCN1CCC1 269982a_100000754969_100000210320 [0,1,0,1,0,0|1,0,1]=4 24619 B14R1.891 CCCCCCCCCNC1CCC1 2230a_100000749019_100011214924 [0,1,0,1,0,0|1,0,1]=4 24620 B14R1.891 CCCCCCCCCNC1CCC1 270004a_100000212291_100000241760 [0,1,0,1,0,0|1,0,1]=4 24621 B14R1.891 CCCCCCCCCNC1CCC1 34a_100000212291_100000749161 [0,1,0,1,0,0|1,0,1]=4 24622 B14R1.891 CCCCCCCCCNC1CCC1 34a_100000749019_100011214924 [0,1,0,1,0,0|1,0,1]=4 24623 B14R1.891 CCCCCCCCCNC1COC1 2230a_100016991112_100011214924 [0,1,0,1,0,0|2,0,0]=4 24624 B14R1.891 CCCCCCCCCNC1COC1 34a_100000212291_100009818527 [0,1,0,1,0,0|2,0,0]=4 24625 B14R1.891 CCCCCCCCCOC1CCC1 34a_100000210712_100000749161 [0,1,0,1,0,0|1,0,1]=4 24626 B14R1.891 CCCCCCCCCOC1CCC1 34a_100000748187_100011214924 [0,1,0,1,0,0|1,0,1]=4 24627 B14R1.891 CCCCCCCCCOC1COC1 34a_100000210712_100009818527 [0,1,0,1,0,0|2,0,0]=4 24628 B14R1.891 CCCCCCCCCOC1COC1 7a_100000210712_100009818527 [0,1,0,1,0,0|2,0,0]=4 24629 B14R1.891 CCCCCCCCCOC1CSC1 7a_100000072292_100000210328 [0,1,0,1,0,0|2,0,0]=4 24630 B14R1.891 CCCCCCCCNCC1CCC1 2230a_100000229939_100000763275 [0,1,0,1,0,0|1,0,1]=4 24631 B14R1.891 CCCCCCCCNCC1CCC1 2230a_100000738700_100000210759 [0,1,0,1,0,0|1,0,1]=4 24632 B14R1.891 CCCCCCCCNCC1CCC1 269862a_100000229939_100000753134 [0,1,0,1,0,0|1,0,1]=4 24633 B14R1.891 CCCCCCCCNCC1CCC1 34a_100000229939_100000763275 [0,1,0,1,0,0|1,0,1]=4 24634 B14R1.891 CCCCCCCCNCC1CCC1 34a_100000738700_100000210759 [0,1,0,1,0,0|1,0,1]=4 24635 B14R1.891 CCCCCCCCNCC1CCO1 2230a_100000229939_100000103362 [0,1,0,1,0,0|0,0,2]=4 24636 B14R1.891 CCCCCCCCNCC1CCO1 34a_100000229939_100000103362 [0,1,0,1,0,0|0,0,2]=4 24637 B14R1.891 CCCCCCCCNCC1COC1 2230a_100000229939_100010264016 [0,1,0,1,0,0|2,0,0]=4 24638 B14R1.891 CCCCCCCCNCC1COC1 2230a_100015281925_100000210759 [0,1,0,1,0,0|2,0,0]=4 24639 B14R1.891 CCCCCCCCNCC1COC1 34a_100000229939_100010264016 [0,1,0,1,0,0|2,0,0]=4 24640 B14R1.891 CCCCCCCCNCC1COC1 34a_100015281925_100000210759 [0,1,0,1,0,0|2,0,0]=4 24641 B14R1.891 CCCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210759 [0,1,0,1,0,0|0,0,2]=4 24642 B14R1.891 CCCCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210759 [0,1,0,1,0,0|0,0,2]=4 24643 B14R1.891 CCCCCCCCOCC1CCC1 34a_100000210232_100000763275 [0,1,0,1,0,0|1,0,1]=4 24644 B14R1.891 CCCCCCCCOCC1CCC1 34a_100000760304_100000210759 [0,1,0,1,0,0|1,0,1]=4 24645 B14R1.891 CCCCCCCCOCC1CCC1 7a_100000210232_100000763275 [0,1,0,1,0,0|1,0,1]=4 24646 B14R1.891 CCCCCCCCOCC1CCO1 34a_100000039022_100000210759 [0,1,0,1,0,0|0,0,2]=4 24647 B14R1.891 CCCCCCCCOCC1CCO1 34a_100000210232_100000103362 [0,1,0,1,0,0|0,0,2]=4 24648 B14R1.891 CCCCCCCCOCC1CCO1 7a_100000210232_100000103362 [0,1,0,1,0,0|0,0,2]=4 24649 B14R1.891 CCCCCCCCOCC1CNC1 34a_100016987283_100000210759 [0,1,0,1,0,0|2,0,0]=4 24650 B14R1.891 CCCCCCCCOCC1COC1 34a_100000060846_100000210759 [0,1,0,1,0,0|2,0,0]=4 24651 B14R1.891 CCCCCCCCOCC1COC1 34a_100000210232_100010264016 [0,1,0,1,0,0|2,0,0]=4 24652 B14R1.891 CCCCCCCCOCC1COC1 7a_100000210232_100010264016 [0,1,0,1,0,0|2,0,0]=4 24653 B14R1.891 CCCCCCCCSCC1CCC1 62a_100000210759_100000763275 [0,1,0,1,0,0|1,0,1]=4 24654 B14R1.891 CCCCCCCCSCC1CCC1 62a_100000763275_100000210317 [0,1,0,1,0,0|1,0,1]=4 24655 B14R1.891 CCCCCCCCSCC1CCO1 62a_100000103362_100000210317 [0,1,0,1,0,0|0,0,2]=4 24656 B14R1.891 CCCCCCCCSCC1CCO1 62a_100000210759_100000103362 [0,1,0,1,0,0|0,0,2]=4 24657 B14R1.891 CCCCCCCCSCC1COC1 62a_100000210759_100010264016 [0,1,0,1,0,0|2,0,0]=4 24658 B14R1.891 CCCCCCCCSCC1COC1 62a_100010264016_100000210317 [0,1,0,1,0,0|2,0,0]=4 24659 B14R1.891 CCCCCCCOCCC1COC1 34a_100009855314_100000210614 [0,1,0,1,0,0|2,0,0]=4 24660 B14R1.891 COCCCCCCNCC1CCC1 2230a_100000738700_100011998445 [0,1,0,1,0,0|2,0,0]=4 24661 B14R1.891 COCCCCCCNCC1CCC1 34a_100000738700_100011998445 [0,1,0,1,0,0|2,0,0]=4 24662 B14R1.891 COCCCCCCOCC1CCC1 34a_100000760304_100011998445 [0,1,0,1,0,0|2,0,0]=4 24663 B14R1.891 COCCCCCCOCC1CCC1 34a_200012092642_100000763275 [0,1,0,1,0,0|2,0,0]=4 24664 B14R1.891 COCCCCCCOCC1CCC1 7a_200012092642_100000763275 [0,1,0,1,0,0|2,0,0]=4 24665 B14R1.891 COCCCCCCSCC1CCC1 62a_100000763275_100011998445 [0,1,0,1,0,0|2,0,0]=4 24666 B14R1.891 COCCCCCCSCC1CCC1 62a_100011998445_100000763275 [0,1,0,1,0,0|2,0,0]=4 24667 B14R1.891 ClCCCCCCCCOC1CCC1 34a_100000033203_100000749161 [0,1,0,1,0,0|1,0,1]=4 24668 B14R1.891 N#CCCCCCCNCC1CCC1 2230a_100000738700_100009813337 [0,1,0,1,0,0|1,0,1]=4 24669 B14R1.891 N#CCCCCCCSCC1CCC1 62a_100000763275_100009813337 [0,1,0,1,0,0|1,0,1]=4 24670 B14R1.891 N#CCCCCCCSCC1CCC1 62a_100009813337_100000763275 [0,1,0,1,0,0|1,0,1]=4 24671 B14R1.891 NCCCCCCCCOC1CCC1 34a_102515433106_100000749161 [0,1,0,1,0,0|1,0,1]=4 24672 B14R1.891 NCCCCCCCOCC1CCC1 34a_100011996573_100000763275 [0,1,0,1,0,0|1,0,1]=4 24673 B14R1.891 OCCCCCCCCCN1CCC1 269982a_100000754969_100009813782 [0,1,0,1,0,0|0,0,2]=4 24674 B14R1.891 OCCCCCCCCNC1CCC1 2230a_100000749019_100000033203 [0,1,0,1,0,0|0,0,2]=4 24675 B14R1.891 OCCCCCCCCNC1CCC1 270004a_102515433106_100000241760 [0,1,0,1,0,0|0,0,2]=4 24676 B14R1.891 OCCCCCCCCNC1CCC1 34a_100000749019_100000033203 [0,1,0,1,0,0|0,0,2]=4 24677 B14R1.891 OCCCCCCCCNC1CCC1 34a_102515433106_100000749161 [0,1,0,1,0,0|0,0,2]=4 24678 B14R1.891 OCCCCCCCCOC1CCC1 34a_100000748187_100000033203 [0,1,0,1,0,0|0,0,2]=4 24679 B14R1.891 OCCCCCCCCSC1CCC1 62a_100000033203_100000749161 [0,1,0,1,0,0|0,0,2]=4 24680 B14R1.891 OCCCCCCCNCC1CCC1 2230a_100000738700_100000760002 [0,1,0,1,0,0|0,0,2]=4 24681 B14R1.891 OCCCCCCCNCC1CCC1 2230a_100011996573_100000763275 [0,1,0,1,0,0|0,0,2]=4 24682 B14R1.891 OCCCCCCCNCC1CCC1 269862a_100011996573_100000753134 [0,1,0,1,0,0|0,0,2]=4 24683 B14R1.891 OCCCCCCCNCC1CCC1 34a_100000738700_100000760002 [0,1,0,1,0,0|0,0,2]=4 24684 B14R1.891 OCCCCCCCNCC1CCC1 34a_100011996573_100000763275 [0,1,0,1,0,0|0,0,2]=4 24685 B14R1.891 OCCCCCCCOCC1CCC1 34a_100000760304_100000760002 [0,1,0,1,0,0|0,0,2]=4 24686 B14R1.891 OCCCCCCCSCC1CCC1 62a_100000760002_100000763275 [0,1,0,1,0,0|0,0,2]=4 24687 B14R1.891 OCCCCCCCSCC1CCC1 62a_100000763275_100000760002 [0,1,0,1,0,0|0,0,2]=4 24688 B14R1.1224 C=CC(O)CN1CCCCCCCC1 2230a_100000039187_100000730141 [0,1,0,1,0,0|2,0,0]=4 24689 B14R1.1224 C=CC(O)CN1CCCCCCCC1 34a_100000039187_100000730141 [0,1,0,1,0,0|2,0,0]=4 24690 B14R1.1586 C=CC(C)COCC1CCCCCC1 34a_100011215527_200000696569 [0,1,0,1,0,0|2,0,0]=4 24691 B14R1.1586 C=CC(C)COCC1CCCCCC1 7a_100011215527_200000696569 [0,1,0,1,0,0|2,0,0]=4 24692 B14R1.1586 C=CC(O)CNCC1CCCCCC1 2230a_100015204231_100000730141 [0,1,0,1,0,0|2,0,0]=4 24693 B14R1.1586 C=CC(O)CNCC1CCCCCC1 34a_100015204231_100000730141 [0,1,0,1,0,0|2,0,0]=4 24694 B14R1.1586 C=CC(O)COCC1CCCCCC1 34a_100000699130_100000730141 [0,1,0,1,0,0|2,0,0]=4 24695 B14R1.1586 C=CC(O)COCC1CCCCCC1 7a_100000699130_100000730141 [0,1,0,1,0,0|2,0,0]=4 24696 B14R1.1586 C=CC(O)CSCC1CCCCCC1 62a_100000730141_200000696569 [0,1,0,1,0,0|2,0,0]=4 24697 B14R1.1586 C=CC(O)CSCC1CCCCCC1 62a_200000696569_100000730141 [0,1,0,1,0,0|2,0,0]=4 24698 B14R1.1586 C=C[C@H](N)COCC1CCCCCC1 34a_100016989147_200000696569 [0,1,0,1,0,0|2,0,0]=4 24699 B14R1.2390 CCCCNC1CCCCN(C1=O)C 2230a_100159325733_100000210211 [0,1,0,1,0,0|2,0,0]=4 24700 B14R1.2390 CCCCNC1CCCCN(C1=O)C 34a_100159325733_100000210210 [0,1,0,1,0,0|2,0,0]=4 24701 B14R1.3452 CCCCCCNC1CCN(C1=O)C 2230a_100000210581_100000755940 [0,1,0,1,0,0|2,0,0]=4 24702 B14R1.3452 CCCCCCOC1CCN(C1=O)C 34a_100000210259_100000755940 [0,1,0,1,0,0|2,0,0]=4 24703 B14R1.3452 CCCCCCOC1CCN(C1=O)C 7a_100000210259_100000755940 [0,1,0,1,0,0|2,0,0]=4 24704 B14R1.3452 CCCCCCSC1CCN(C1=O)C 62a_100000210314_100000755940 [0,1,0,1,0,0|2,0,0]=4 24705 B14R1.3452 CCCCCCSC1CCN(C1=O)C 62a_100000755940_100000210757 [0,1,0,1,0,0|2,0,0]=4 24706 B14R1.3452 CCCCCOCC1CCN(C1=O)C 34a_100009823153_100000718602 [0,1,0,1,0,0|2,0,0]=4 24707 B14R1.3454 C=CCCCCNC1CCC(C1)CC 270004a_100000703577_100011218773 [0,1,0,1,0,0|2,0,0]=4 24708 B14R1.3454 CCN1CCC(C1)CNCCCC=O 2230a_100011224064_200011292268 [0,1,0,1,0,0|2,0,0]=4 24709 B14R1.3454 CCN1CCC(C1)CSCCCC=O 62a_100015184589_200011292268 [0,1,0,1,0,0|2,0,0]=4 24710 B14R1.3454 CCN1CCC(C1)CSCCCC=O 62a_200011292268_100015184589 [0,1,0,1,0,0|2,0,0]=4 24711 B14R1.3454 CCN1CCC(C1)NCCCCC=O 2230a_100015188829_100000139335 [0,1,0,1,0,0|2,0,0]=4 24712 B14R1.3454 CCN1CCC(C1)SCCCCC=O 62a_100000139335_200011861547 [0,1,0,1,0,0|2,0,0]=4 24713 B14R1.3454 CO[C@@H]1CCN(C1)CCCCCC=O 2230a_100000766984_100000139337 [0,1,0,1,0,0|2,0,0]=4 24714 B14R1.3454 CO[C@@H]1CCN(C1)CCCCCC=O 269982a_100000766984_100000139337 [0,1,0,1,0,0|2,0,0]=4 24715 B14R1.3454 O=CCCCCCN1CCC(C1)CO 2230a_100000748654_100000139337 [0,1,0,1,0,0|2,0,0]=4 24716 B14R1.3454 O=CCCCCCN1CCC(C1)CO 269982a_100000748654_100000139337 [0,1,0,1,0,0|2,0,0]=4 24717 B14R1.4732 C=CCCCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011215473 [0,1,0,1,0,0|2,0,0]=4 24718 B14R1.4732 C=CCCCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011215473 [0,1,0,1,0,0|2,0,0]=4 24719 B14R1.6522 C=CCCCCCCCNC1(CC1)C 2230a_100000757604_100012355270 [0,1,0,1,0,0|2,0,0]=4 24720 B14R1.6522 C=CCCCCCCCOC1(CC1)C 7a_100011725673_100012355270 [0,1,0,1,0,0|2,0,0]=4 24721 B14R1.6522 C=CCCCCCCNCC1(CC1)C 2230a_100000766693_100011215473 [0,1,0,1,0,0|2,0,0]=4 24722 B14R1.6522 C=CCCCCCCNCC1(CC1)O 2230a_100011936951_100011215473 [0,1,0,1,0,0|2,0,0]=4 24723 B14R1.6522 C=CCCCCCCOCC1(CC1)C 7a_100000698024_100011215473 [0,1,0,1,0,0|2,0,0]=4 24724 B14R1.6522 C=CCCCCCCOCC1(CC1)F 34a_200000703853_100011215473 [0,1,0,1,0,0|2,0,0]=4 24725 B14R1.6522 C=CCCCCCCOCC1(CC1)F 7a_200000703853_100011215473 [0,1,0,1,0,0|2,0,0]=4 24726 B14R1.7684 C=CC(O)CNC1CCCCCCC1 2230a_100000211152_100000730141 [0,1,0,1,0,0|2,0,0]=4 24727 B14R1.7684 C=CC(O)CNC1CCCCCCC1 34a_100000211152_100000730141 [0,1,0,1,0,0|2,0,0]=4 24728 B14R1.7684 C=CC(O)COC1CCCCCCC1 34a_100000210054_100000730141 [0,1,0,1,0,0|2,0,0]=4 24729 B14R1.7684 C=CC(O)COC1CCCCCCC1 7a_100000210054_100000730141 [0,1,0,1,0,0|2,0,0]=4 24730 B14R1.7684 CCC(C)COC1C=CCCCCC1 34a_100000688657_100000748023 [0,1,0,1,0,0|2,0,0]=4 24731 B14R1.7684 CCC(O)COC1C=CCCCCC1 34a_100000688657_100011218378 [0,1,0,1,0,0|2,0,0]=4 24732 B14R1.7684 CC[C@H](C)COC1C=CCCCCC1 34a_100000688657_100009816398 [0,1,0,1,0,0|2,0,0]=4 24733 B14R1.38 C=CCCCCC(=O)C1CCCCC1 1458a_100000210647_100011215482 [0,1,0,1,0,0|1,0,1]=4 24734 B14R1.38 C=CCCCCC(=O)C1CCCCC1 1458a_100011215552_100000210327 [0,1,0,1,0,0|1,0,1]=4 24735 B14R1.38 C=CCCCCN(C)C1CCCCC1 2230a_100000207522_100011215482 [0,1,0,1,0,0|2,0,0]=4 24736 B14R1.38 C=CCCCCN(C)C1CCCCC1 269982a_100000207522_100011215482 [0,1,0,1,0,0|2,0,0]=4 24737 B14R1.38 C=CCCCCN(C)C1CCCCC1 269982a_100012000471_100000210327 [0,1,0,1,0,0|2,0,0]=4 24738 B14R1.38 C=CCCCCN(C)C1CCCCC1 270004a_100012000471_100000210434 [0,1,0,1,0,0|2,0,0]=4 24739 B14R1.38 C=CCCCCN(C)C1CCCCC1 34a_100000207522_100011215482 [0,1,0,1,0,0|2,0,0]=4 24740 B14R1.38 C=CCCCNC(C)C1CCCCC1 269862a_100000700776_100000210989 [0,1,0,1,0,0|2,0,0]=4 24741 B14R1.38 C=CCCCN[C@H](C)C1CCCCC1 2230a_100025707633_100011713584 [0,1,0,1,0,0|2,0,0]=4 24742 B14R1.38 C=CCCCN[C@H](C)C1CCCCC1 34a_100025707633_100000757094 [0,1,0,1,0,0|2,0,0]=4 24743 B14R1.38 C=CCCCOC(C)C1CCCCC1 34a_100011216961_100000757094 [0,1,0,1,0,0|2,0,0]=4 24744 B14R1.38 C=CCCCOC(C)C1CCCCC1 7a_100011216961_100000757094 [0,1,0,1,0,0|2,0,0]=4 24745 B14R1.38 C=CCCOC[C@H](N)C1CCCCC1 34a_100009817630_100000754431 [0,1,0,1,0,0|2,0,0]=4 24746 B14R1.38 C=CCOCCC(N)C1CCCCC1 34a_200020622111_100015514636 [0,1,0,1,0,0|2,0,0]=4 24747 B14R1.38 CC(OCCCC=O)C1CCCCC1 7a_100011216961_200011292268 [0,1,0,1,0,0|1,0,0]=3 24748 B14R1.38 CCCCCCC(=O)C1C=CCCC1 1458a_100102632555_100000751183 [0,1,0,1,0,0|1,0,1]=4 24749 B14R1.38 CCCCCCN(C)C1C=CCCC1 2230a_106256046315_100000751183 [0,1,0,1,0,0|2,0,0]=4 24750 B14R1.38 CCCCCCN(C)C1C=CCCC1 269982a_106256046315_100000751183 [0,1,0,1,0,0|2,0,0]=4 24751 B14R1.38 CN(CCCCC=O)C1CCCCC1 2230a_100000207522_100000139335 [0,1,0,1,0,0|1,0,0]=3 24752 B14R1.38 CN(CCCCC=O)C1CCCCC1 269982a_100000207522_100000139335 [0,1,0,1,0,0|1,0,0]=3 24753 B14R1.38 CN(CCCCC=O)C1CCOCC1 2230a_100020587155_100000139335 [0,1,0,1,0,0|2,0,0]=4 24754 B14R1.38 CN(CCCCC=O)C1CCOCC1 269982a_100020587155_100000139335 [0,1,0,1,0,0|2,0,0]=4 24755 B14R1.38 CN(CCCCC=O)C1CCSCC1 2230a_100015184757_100000139335 [0,1,0,1,0,0|2,0,0]=4 24756 B14R1.38 CN(CCCCC=O)C1CCSCC1 269982a_100015184757_100000139335 [0,1,0,1,0,0|2,0,0]=4 24757 B14R1.38 C[C@@H](NCCCC=O)C1CCCCC1 2230a_100025707633_200011292268 [0,1,0,1,0,0|1,0,0]=3 24758 B14R1.38 C[C@@H](OCCCC=O)C1CCOCC1 7a_100000703848_200011292268 [0,1,0,1,0,0|2,0,0]=4 24759 B14R1.38 NC(CCOCC=O)C1CCCCC1 34a_200020622111_200009817547 [0,1,0,1,0,0|1,0,0]=3 24760 B14R1.92 C=CCCCCC(=O)CC1CCCC1 1458a_100000210891_100011215482 [0,1,0,1,0,0|1,0,1]=4 24761 B14R1.92 C=CCCCCC(=O)CC1CCCC1 1458a_100011215552_100000740388 [0,1,0,1,0,0|1,0,1]=4 24762 B14R1.92 C=CCCCCN(C)CC1CCCC1 2230a_100012000471_100000740388 [0,1,0,1,0,0|2,0,0]=4 24763 B14R1.92 C=CCCCCN(C)CC1CCCC1 269982a_100012000471_100000740388 [0,1,0,1,0,0|2,0,0]=4 24764 B14R1.92 C=CCCCNC(C)CC1CCCC1 270004a_100000700776_100000692464 [0,1,0,1,0,0|2,0,0]=4 24765 B14R1.92 CCCCCCC(=O)CC1C=CCC1 1458a_100000212241_100000210757 [0,1,0,1,0,0|1,0,1]=4 24766 B14R1.92 CCCCCNC(C)CC1C=CCC1 270004a_100000209983_100000116859 [0,1,0,1,0,0|2,0,0]=4 24767 B14R1.92 CN(CCCCC=O)CC1CCCO1 2230a_100102946541_100000139335 [0,1,0,1,0,0|2,0,0]=4 24768 B14R1.92 CN(CCCCC=O)CC1CCCO1 269982a_100102946541_100000139335 [0,1,0,1,0,0|2,0,0]=4 24769 B14R1.92 CN(CCCCC=O)CC1CCOC1 2230a_100000684583_100000139335 [0,1,0,1,0,0|2,0,0]=4 24770 B14R1.92 CN(CCCCC=O)CC1CCOC1 269982a_100000684583_100000139335 [0,1,0,1,0,0|2,0,0]=4 24771 B14R1.1254 C#CCCCCN1CCCCCCC1 2230a_100000211400_100010269958 [0,1,0,1,0,0|1,0,1]=4 24772 B14R1.1254 C#CCCCCN1CCCCCCC1 269982a_100000211400_100010269958 [0,1,0,1,0,0|1,0,1]=4 24773 B14R1.1254 C#CCCCCN1CCCCCCC1 34a_100000211400_100010269958 [0,1,0,1,0,0|1,0,1]=4 24774 B14R1.1254 C#CCCCNC1CCCCCCC1 2230a_100000211152_100000731252 [0,1,0,1,0,0|1,0,1]=4 24775 B14R1.1254 C#CCCCNC1CCCCCCC1 270004a_100000718082_100000210524 [0,1,0,1,0,0|1,0,1]=4 24776 B14R1.1254 C#CCCCNC1CCCCCCC1 34a_100000211152_100000695029 [0,1,0,1,0,0|1,0,1]=4 24777 B14R1.1254 C#CCCCOC1CCCCCCC1 34a_100000210054_100000695029 [0,1,0,1,0,0|1,0,1]=4 24778 B14R1.1254 C#CCCCOC1CCCCCCC1 7a_100000210054_100011215417 [0,1,0,1,0,0|1,0,1]=4 24779 B14R1.1254 C#CCCOCC1CCCCCCC1 34a_100011216312_100000688953 [0,1,0,1,0,0|1,0,1]=4 24780 B14R1.1254 C#CCCOCC1CCCCCCC1 7a_100011216312_100000688953 [0,1,0,1,0,0|1,0,1]=4 24781 B14R1.1254 C#CCNCCC1CCCCCCC1 2230a_100011532352_100000038162 [0,1,0,1,0,0|1,0,1]=4 24782 B14R1.1254 C#CCNCCC1CCCCCCC1 34a_100011532352_100000184674 [0,1,0,1,0,0|1,0,1]=4 24783 B14R1.1254 C/C=C/COCC1CCCCCCC1 34a_100011216312_100102629194 [0,1,0,1,0,0|1,0,1]=4 24784 B14R1.1254 C/C=C/COCC1CCCCCCC1 7a_100011216312_100102629194 [0,1,0,1,0,0|1,0,1]=4 24785 B14R1.1254 C=CCCCCN1CCCCCCC1 2230a_100000211400_100011215482 [0,1,0,1,0,0|1,0,0]=3 24786 B14R1.1254 C=CCCCCN1CCCCCCC1 269982a_100000211400_100011215482 [0,1,0,1,0,0|1,0,0]=3 24787 B14R1.1254 C=CCCCCN1CCCCCCC1 34a_100000211400_100011215482 [0,1,0,1,0,0|1,0,0]=3 24788 B14R1.1254 C=CCCCNC1CCCCCCC1 2230a_100000211152_100011713584 [0,1,0,1,0,0|1,0,0]=3 24789 B14R1.1254 C=CCCCNC1CCCCCCC1 270004a_100000700776_100000210524 [0,1,0,1,0,0|1,0,0]=3 24790 B14R1.1254 C=CCCCNC1CCCCCCC1 34a_100000211152_100000757094 [0,1,0,1,0,0|1,0,0]=3 24791 B14R1.1254 C=CCCCOC1CCCCCCC1 34a_100000210054_100000757094 [0,1,0,1,0,0|1,0,0]=3 24792 B14R1.1254 C=CCCCOC1CCCCCCC1 7a_100000210054_100000757094 [0,1,0,1,0,0|1,0,0]=3 24793 B14R1.1254 C=CCCOCC1CCCCCCC1 34a_100011216312_100000754431 [0,1,0,1,0,0|1,0,0]=3 24794 B14R1.1254 C=CCCOCC1CCCCCCC1 7a_100011216312_100000754431 [0,1,0,1,0,0|1,0,0]=3 24795 B14R1.1254 C=CCNCCC1CCCCCCC1 2230a_100011532352_100000210623 [0,1,0,1,0,0|1,0,0]=3 24796 B14R1.1254 C=CCNCCC1CCCCCCC1 34a_100011532352_100015514636 [0,1,0,1,0,0|1,0,0]=3 24797 B14R1.1254 C=COCCNC1CCCCCCC1 2230a_100000211152_100000039644 [0,1,0,1,0,0|2,0,0]=4 24798 B14R1.1254 C=COCCNC1CCCCCCC1 34a_100000211152_100000039644 [0,1,0,1,0,0|2,0,0]=4 24799 B14R1.1254 C=COCCOC1CCCCCCC1 34a_100000210054_100000039644 [0,1,0,1,0,0|2,0,0]=4 24800 B14R1.1254 C=COCCOC1CCCCCCC1 7a_100000210054_100000039644 [0,1,0,1,0,0|2,0,0]=4 24801 B14R1.1254 CC=CCOCC1CCCCCCC1 34a_100011216312_100000070051 [0,1,0,1,0,0|1,0,1]=4 24802 B14R1.1254 CC=CCOCC1CCCCCCC1 7a_100011216312_100000070051 [0,1,0,1,0,0|1,0,1]=4 24803 B14R1.1254 CCCCCCN1CCCCCCC1 2230a_100000211400_100000210314 [0,1,0,1,0,0|1,0,1]=4 24804 B14R1.1254 CCCCCCN1CCCCCCC1 269982a_100000211400_100000210757 [0,1,0,1,0,0|1,0,1]=4 24805 B14R1.1254 CCCCCCN1CCCCCCC1 34a_100000211400_100000210314 [0,1,0,1,0,0|1,0,1]=4 24806 B14R1.1254 CCCCCNC1CCCCCCC1 2230a_100000211152_100000210326 [0,1,0,1,0,0|1,0,1]=4 24807 B14R1.1254 CCCCCNC1CCCCCCC1 270004a_100000209983_100000210524 [0,1,0,1,0,0|1,0,1]=4 24808 B14R1.1254 CCCCCNC1CCCCCCC1 34a_100000211152_100000718602 [0,1,0,1,0,0|1,0,1]=4 24809 B14R1.1254 CCCCCOC1C=CCCCCC1 34a_100000688657_100000718602 [0,1,0,1,0,0|1,0,0]=3 24810 B14R1.1254 CCCCCOC1CCCCCCC1 34a_100000210054_100000718602 [0,1,0,1,0,0|1,0,1]=4 24811 B14R1.1254 CCCCCOC1CCCCCCC1 7a_100000210054_100000210326 [0,1,0,1,0,0|1,0,1]=4 24812 B14R1.1254 CCCCOCC1CCCCCCC1 34a_100011216312_100000210210 [0,1,0,1,0,0|1,0,1]=4 24813 B14R1.1254 CCCCOCC1CCCCCCC1 7a_100011216312_100000210211 [0,1,0,1,0,0|1,0,1]=4 24814 B14R1.1254 CCCNCCC1CCCCCCC1 2230a_100011532352_100000210303 [0,1,0,1,0,0|1,0,1]=4 24815 B14R1.1254 CCCNCCC1CCCCCCC1 34a_100011532352_100000210303 [0,1,0,1,0,0|1,0,1]=4 24816 B14R1.1254 CCOCCOC1C=CCCCCC1 34a_100000688657_100000210147 [0,1,0,1,0,0|2,0,0]=4 24817 B14R1.1254 CCSCCOC1C=CCCCCC1 34a_100000688657_100000757381 [0,1,0,1,0,0|2,0,0]=4 24818 B14R1.1254 COCCCCN1CCCCCCC1 2230a_100000211400_100000730899 [0,1,0,1,0,0|2,0,0]=4 24819 B14R1.1254 COCCCCN1CCCCCCC1 269982a_100000211400_100000730899 [0,1,0,1,0,0|2,0,0]=4 24820 B14R1.1254 COCCCCN1CCCCCCC1 34a_100000211400_100000755781 [0,1,0,1,0,0|2,0,0]=4 24821 B14R1.1254 COCCCNC1CCCCCCC1 2230a_100000211152_100000740836 [0,1,0,1,0,0|2,0,0]=4 24822 B14R1.1254 COCCCNC1CCCCCCC1 270004a_100150723488_100000210524 [0,1,0,1,0,0|2,0,0]=4 24823 B14R1.1254 COCCCNC1CCCCCCC1 34a_100000211152_100000740836 [0,1,0,1,0,0|2,0,0]=4 24824 B14R1.1254 COCCCOC1C=CCCCCC1 34a_100000688657_100000740836 [0,1,0,1,0,0|2,0,0]=4 24825 B14R1.1254 COCCCOC1CCCCCCC1 34a_100000210054_100000740836 [0,1,0,1,0,0|2,0,0]=4 24826 B14R1.1254 COCCCOC1CCCCCCC1 7a_100000210054_100000740836 [0,1,0,1,0,0|2,0,0]=4 24827 B14R1.1254 COCCOCC1CCCCCCC1 34a_100011216312_100011201679 [0,1,0,1,0,0|2,0,0]=4 24828 B14R1.1254 COCCOCC1CCCCCCC1 7a_100011216312_100000233755 [0,1,0,1,0,0|2,0,0]=4 24829 B14R1.1254 COCNCCC1CCCCCCC1 2230a_100011532352_100000766300 [0,1,0,1,0,0|2,0,0]=4 24830 B14R1.1254 CSCCCNC1CCCCCCC1 270004a_100000749238_100000210524 [0,1,0,1,0,0|2,0,0]=4 24831 B14R1.1254 CSCCOCC1CCCCCCC1 34a_100011216312_100000212216 [0,1,0,1,0,0|2,0,0]=4 24832 B14R1.1254 CSCCOCC1CCCCCCC1 7a_100011216312_100000212216 [0,1,0,1,0,0|2,0,0]=4 24833 B14R1.1254 CSCNCCC1CCCCCCC1 2230a_100011532352_100011218213 [0,1,0,1,0,0|2,0,0]=4 24834 B14R1.1254 CSCNCCC1CCCCCCC1 34a_100011532352_100011218213 [0,1,0,1,0,0|2,0,0]=4 24835 B14R1.1254 FCCCCCN1CCCCCCC1 2230a_100000211400_100000729378 [0,1,0,1,0,0|1,0,1]=4 24836 B14R1.1254 FCCCCCN1CCCCCCC1 269982a_100000211400_100000729378 [0,1,0,1,0,0|1,0,1]=4 24837 B14R1.1254 FCCCCCN1CCCCCCC1 34a_100000211400_100000729378 [0,1,0,1,0,0|1,0,1]=4 24838 B14R1.1254 FCCCCNC1CCCCCCC1 2230a_100000211152_100000729493 [0,1,0,1,0,0|1,0,1]=4 24839 B14R1.1254 FCCCCNC1CCCCCCC1 34a_100000211152_100000729493 [0,1,0,1,0,0|1,0,1]=4 24840 B14R1.1254 FCCCCOC1C=CCCCCC1 34a_100000688657_100000729493 [0,1,0,1,0,0|2,0,0]=4 24841 B14R1.1254 FCCCCOC1CCCCCCC1 34a_100000210054_100000729493 [0,1,0,1,0,0|1,0,1]=4 24842 B14R1.1254 FCCCCOC1CCCCCCC1 7a_100000210054_100000729493 [0,1,0,1,0,0|1,0,1]=4 24843 B14R1.1254 FCCCOCC1CCCCCCC1 34a_100011216312_100011934791 [0,1,0,1,0,0|1,0,1]=4 24844 B14R1.1254 FCCCOCC1CCCCCCC1 7a_100011216312_100011934791 [0,1,0,1,0,0|1,0,1]=4 24845 B14R1.1254 FCCNCCC1CCCCCCC1 2230a_100011532352_100011217306 [0,1,0,1,0,0|1,0,1]=4 24846 B14R1.1254 FCCNCCC1CCCCCCC1 34a_100011532352_100011217306 [0,1,0,1,0,0|1,0,1]=4 24847 B14R1.1254 N#CCCCCN1CCCCCCC1 2230a_100000211400_100000211819 [0,1,0,1,0,0|1,0,1]=4 24848 B14R1.1254 N#CCCCCN1CCCCCCC1 269982a_100000211400_100011219923 [0,1,0,1,0,0|1,0,1]=4 24849 B14R1.1254 N#CCCCNC1CCCCCCC1 2230a_100000211152_100000687738 [0,1,0,1,0,0|1,0,1]=4 24850 B14R1.1254 N#CCCCOC1CCCCCCC1 7a_100000210054_100000687738 [0,1,0,1,0,0|1,0,1]=4 24851 B14R1.1254 N#CCCOCC1CCCCCCC1 7a_100011216312_100000184422 [0,1,0,1,0,0|1,0,1]=4 24852 B14R1.1254 N#CCNCCC1CCCCCCC1 2230a_100011532352_100011215382 [0,1,0,1,0,0|1,0,1]=4 24853 B14R1.1254 O=CCCCCN1CCCCCCC1 2230a_100000211400_100000139335 [0,1,0,1,0,0|0,0,0]=2 24854 B14R1.1254 O=CCCCCN1CCCCCCC1 269982a_100000211400_100000139335 [0,1,0,1,0,0|0,0,0]=2 24855 B14R1.1254 O=CCCCNC1CCCCCCC1 2230a_100000211152_200011292268 [0,1,0,1,0,0|0,0,0]=2 24856 B14R1.1254 O=CCCCOC1CCCCCCC1 7a_100000210054_200011292268 [0,1,0,1,0,0|0,0,0]=2 24857 B14R1.1254 O=CCCCSC1CC/C=C\CCC1 62a_100021000466_200011292268 [0,1,0,1,0,0|0,0,2]=4 24858 B14R1.1254 O=CCCCSC1CC/C=C\CCC1 62a_200011292268_100021000466 [0,1,0,1,0,0|0,0,2]=4 24859 B14R1.1254 O=CCNCCC1CCCCCCC1 2230a_100011532352_200015260668 [0,1,0,1,0,0|0,0,0]=2 24860 B14R1.1254 O=CCNCCC1CCCCCCC1 34a_100011532352_200009817547 [0,1,0,1,0,0|0,0,0]=2 24861 B14R1.1254 OCCCCCN1CCCCCCC1 2230a_100000211400_100000746330 [0,1,0,1,0,0|0,0,2]=4 24862 B14R1.1254 OCCCCCN1CCCCCCC1 269982a_100000211400_100000746330 [0,1,0,1,0,0|0,0,2]=4 24863 B14R1.1254 OCCCCCN1CCCCCCC1 34a_100000211400_100000746330 [0,1,0,1,0,0|0,0,2]=4 24864 B14R1.1254 OCCCCNC1CCCCCCC1 2230a_100000211152_100000210776 [0,1,0,1,0,0|0,0,2]=4 24865 B14R1.1254 OCCCCNC1CCCCCCC1 270004a_100000750430_100000210524 [0,1,0,1,0,0|0,0,2]=4 24866 B14R1.1254 OCCCCNC1CCCCCCC1 34a_100000211152_100011216708 [0,1,0,1,0,0|0,0,2]=4 24867 B14R1.1254 OCCCCOC1C=CCCCCC1 34a_100000688657_100011216708 [0,1,0,1,0,0|2,0,0]=4 24868 B14R1.1254 OCCCCOC1CCCCCCC1 34a_100000210054_100011216708 [0,1,0,1,0,0|0,0,2]=4 24869 B14R1.1254 OCCCCOC1CCCCCCC1 7a_100000210054_100000210776 [0,1,0,1,0,0|0,0,2]=4 24870 B14R1.1254 OCCCOCC1CCCCCCC1 34a_100011216312_100000230001 [0,1,0,1,0,0|0,0,2]=4 24871 B14R1.1254 OCCCOCC1CCCCCCC1 7a_100011216312_100011215043 [0,1,0,1,0,0|0,0,2]=4 24872 B14R1.1254 OCCNCCC1CCCCCCC1 2230a_100011532352_100000211926 [0,1,0,1,0,0|0,0,2]=4 24873 B14R1.1254 OCCNCCC1CCCCCCC1 34a_100011532352_100000211926 [0,1,0,1,0,0|0,0,2]=4 24874 B14R1.3360 C=CCCCCC(=O)C1CCCC1C 1458a_100000690547_100011215482 [0,1,0,1,0,0|1,0,1]=4 24875 B14R1.3360 CCCCCCC(=O)C1CCCC1=O 1458a_100102632555_100000211823 [0,1,0,1,0,0|0,0,1]=3 24876 B14R1.3360 CCCCCCC(=O)C1CCOC1=O 1458a_100102632555_100000211211 [0,1,0,1,0,0|1,0,1]=4 24877 B14R1.3360 CCCCCCN(C)C1CCCC1=O 2230a_106256046315_100000211823 [0,1,0,1,0,0|1,0,0]=3 24878 B14R1.3360 CCCCCCN(C)C1CCCC1=O 269982a_106256046315_100000211823 [0,1,0,1,0,0|1,0,0]=3 24879 B14R1.3360 CCCCCCN(C)C1CCOC1=O 2230a_106256046315_100000211211 [0,1,0,1,0,0|2,0,0]=4 24880 B14R1.3360 CCCCCCN(C)C1CCOC1=O 269982a_106256046315_100000211211 [0,1,0,1,0,0|2,0,0]=4 24881 B14R1.3360 CCCCOCC(=O)C1CCCC1=O 1458a_100000757543_100000211823 [0,1,0,1,0,0|1,0,1]=4 24882 B14R1.3360 CCCCSCC(=O)C1CCCC1=O 1458a_100000191162_100000211823 [0,1,0,1,0,0|1,0,1]=4 24883 B14R1.3360 CN(CCCCCO)C1CCCC1=O 2230a_100000722520_100000211823 [0,1,0,1,0,0|2,0,0]=4 24884 B14R1.3360 CN(CCCCCO)C1CCCC1=O 269982a_100000722520_100000211823 [0,1,0,1,0,0|2,0,0]=4 24885 B14R1.3360 O=C(CCCCCO)C1CCCC1=O 1458a_100102619762_100000211823 [0,1,0,1,0,0|1,0,1]=4 24886 B14R1.3686 CCCCCCC(C)NC1CCC1=O 34a_100000210919_100009892977 [0,1,0,1,0,0|1,0,0]=3 24887 B14R1.3686 CCCCCCC(C)OC1CCC1=O 34a_100000210265_100009892977 [0,1,0,1,0,0|1,0,0]=3 24888 B14R1.3686 CCCCCCC(C)OC1CCC1=O 7a_100000210265_100009892977 [0,1,0,1,0,0|1,0,0]=3 24889 B14R1.3686 CCCCCCC(C)SC1CCC1=O 62a_100009892977_100011215978 [0,1,0,1,0,0|1,0,0]=3 24890 B14R1.3686 CCCCCCC(C)SC1CCC1=O 62a_100011215978_100009892977 [0,1,0,1,0,0|1,0,0]=3 24891 B14R1.3686 CCCCOCC(C)OC1CCC1=O 34a_100011217071_100009892977 [0,1,0,1,0,0|2,0,0]=4 24892 B14R1.3686 CCCCOCC(C)OC1CCC1=O 7a_100011217071_100009892977 [0,1,0,1,0,0|2,0,0]=4 24893 B14R1.4760 C=CCCCNC1(CCCCCC1)C 2230a_100000704638_100011713584 [0,1,0,1,0,0|2,0,0]=4 24894 B14R1.4760 C=CCCCNC1(CCCCCC1)C 34a_100000704638_100000757094 [0,1,0,1,0,0|2,0,0]=4 24895 B14R1.4760 C=CCCCOC1(CCCCCC1)C 34a_100000708895_100000757094 [0,1,0,1,0,0|2,0,0]=4 24896 B14R1.4760 C=CCCCOC1(CCCCCC1)C 7a_100000708895_100000757094 [0,1,0,1,0,0|2,0,0]=4 24897 B14R1.4760 CC1(CCCCCC1)NCCCC=O 2230a_100000704638_200011292268 [0,1,0,1,0,0|1,0,0]=3 24898 B14R1.4760 CC1(CCCCCC1)OCCCC=O 7a_100000708895_200011292268 [0,1,0,1,0,0|1,0,0]=3 24899 B14R1.62 C#CCCCCCN1CCCC1CC 2230a_100000754278_100012094781 [0,1,0,1,0,0|1,0,1]=4 24900 B14R1.62 C#CCCCCCN1CCCC1CC 269982a_100000754278_100012094781 [0,1,0,1,0,0|1,0,1]=4 24901 B14R1.62 C#CCCCCCN1CCCC1CC 34a_100000754278_100012094781 [0,1,0,1,0,0|1,0,1]=4 24902 B14R1.62 C=CCCCCCN1CCCC1CC 2230a_100000754278_100000700193 [0,1,0,1,0,0|1,0,0]=3 24903 B14R1.62 C=CCCCCCN1CCCC1CC 269982a_100000754278_100000700193 [0,1,0,1,0,0|1,0,0]=3 24904 B14R1.62 C=CCCCCCN1CCCC1CC 34a_100000754278_100000700193 [0,1,0,1,0,0|1,0,0]=3 24905 B14R1.62 C=CCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000700193 [0,1,0,1,0,0|2,0,0]=4 24906 B14R1.62 C=CCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000700193 [0,1,0,1,0,0|2,0,0]=4 24907 B14R1.62 C=CCCCCCN1CCC[C@@H]1CO 34a_100000745186_100000700193 [0,1,0,1,0,0|2,0,0]=4 24908 B14R1.62 C=CCCCCNC1CCCC1CC 269862a_100000703577_100000749056 [0,1,0,1,0,0|1,0,0]=3 24909 B14R1.62 C=CCCCCNC1CCCC1CC 270004a_100000703577_100000749056 [0,1,0,1,0,0|1,0,0]=3 24910 B14R1.62 C=CCCCNCC1CCCN1CC 2230a_100000211693_100011713584 [0,1,0,1,0,0|2,0,0]=4 24911 B14R1.62 C=CCCCOC[C@H]1CCCN1CC 34a_100011739246_100000757094 [0,1,0,1,0,0|2,0,0]=4 24912 B14R1.62 C=CCCCOC[C@H]1CCCN1CC 7a_100011739246_100000757094 [0,1,0,1,0,0|2,0,0]=4 24913 B14R1.62 C=COCCCNC1CCCC1CC 269862a_100000210767_100000749056 [0,1,0,1,0,0|2,0,0]=4 24914 B14R1.62 C=COCCCNC1CCCC1CC 270004a_100000210767_100000749056 [0,1,0,1,0,0|2,0,0]=4 24915 B14R1.62 CCC1C=CCN1CCCCCC=O 2230a_100000730860_100000139337 [0,1,0,1,0,0|0,0,2]=4 24916 B14R1.62 CCC1C=CCN1CCCCCC=O 269982a_100000730860_100000139337 [0,1,0,1,0,0|0,0,2]=4 24917 B14R1.62 CCC1CCCC1NCCCCC#N 270004a_100000751965_100000749056 [0,1,0,1,0,0|1,0,1]=4 24918 B14R1.62 CCC1CCCC1NCCCCCO 269862a_100000762737_100000749056 [0,1,0,1,0,0|0,0,2]=4 24919 B14R1.62 CCC1CCCC1NCCCCCO 270004a_100000762737_100000749056 [0,1,0,1,0,0|0,0,2]=4 24920 B14R1.62 CCC1CCCN1CCCCCC#N 2230a_100000754278_100009813376 [0,1,0,1,0,0|1,0,1]=4 24921 B14R1.62 CCC1CCCN1CCCCCC#N 269982a_100000754278_100009813376 [0,1,0,1,0,0|1,0,1]=4 24922 B14R1.62 CCC1CCCN1CCCCCC=O 2230a_100000754278_100000139337 [0,1,0,1,0,0|0,0,0]=2 24923 B14R1.62 CCC1CCCN1CCCCCC=O 269982a_100000754278_100000139337 [0,1,0,1,0,0|0,0,0]=2 24924 B14R1.62 CCC1CCCN1CCCCCCF 2230a_100000754278_100015922095 [0,1,0,1,0,0|1,0,1]=4 24925 B14R1.62 CCC1CCCN1CCCCCCF 269982a_100000754278_100015922095 [0,1,0,1,0,0|1,0,1]=4 24926 B14R1.62 CCC1CCCN1CCCCCCF 34a_100000754278_100015922095 [0,1,0,1,0,0|1,0,1]=4 24927 B14R1.62 CCC1CCCN1CCCCCCO 2230a_100000754278_100000766143 [0,1,0,1,0,0|0,0,2]=4 24928 B14R1.62 CCC1CCCN1CCCCCCO 269982a_100000754278_100000766143 [0,1,0,1,0,0|0,0,2]=4 24929 B14R1.62 CCC1CCCN1CCCCCCO 34a_100000754278_100000766143 [0,1,0,1,0,0|0,0,2]=4 24930 B14R1.62 CCCCCCCC1CCCC1NC 269862a_106832991636_200011216720 [0,1,0,1,0,0|1,0,1]=4 24931 B14R1.62 CCCCCCCC1CCCC1NC 270004a_106832991635_200011216720 [0,1,0,1,0,0|1,0,1]=4 24932 B14R1.62 CCCCCCCN1CCCC1C#N 2230a_100000701862_100000210681 [0,1,0,1,0,0|1,0,1]=4 24933 B14R1.62 CCCCCCCN1CCCC1CC 2230a_100000754278_100000210681 [0,1,0,1,0,0|1,0,1]=4 24934 B14R1.62 CCCCCCCN1CCCC1CC 269982a_100000754278_100000210681 [0,1,0,1,0,0|1,0,1]=4 24935 B14R1.62 CCCCCCCN1CCCC1CC 34a_100000754278_100000210614 [0,1,0,1,0,0|1,0,1]=4 24936 B14R1.62 CCCCCCCN1CCC[C@@H]1C#N 2230a_106645074975_100000210681 [0,1,0,1,0,0|1,0,1]=4 24937 B14R1.62 CCCCCCCN1CCC[C@@H]1C#N 269982a_106645074975_100000210681 [0,1,0,1,0,0|1,0,1]=4 24938 B14R1.62 CCCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210681 [0,1,0,1,0,0|0,0,2]=4 24939 B14R1.62 CCCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210681 [0,1,0,1,0,0|0,0,2]=4 24940 B14R1.62 CCCCCCCN1CCC[C@@H]1CO 34a_100000745186_100000210614 [0,1,0,1,0,0|0,0,2]=4 24941 B14R1.62 CCCCCCNC1CCCC1CC 269862a_100000210581_100000749056 [0,1,0,1,0,0|1,0,1]=4 24942 B14R1.62 CCCCCCNC1CCCC1CC 270004a_100000210581_100000749056 [0,1,0,1,0,0|1,0,1]=4 24943 B14R1.62 CCCCCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000210314 [0,1,0,1,0,0|1,0,1]=4 24944 B14R1.62 CCCCCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000210314 [0,1,0,1,0,0|1,0,1]=4 24945 B14R1.62 CCN1CCCC1CNCCCC=O 2230a_100000211693_200011292268 [0,1,0,1,0,0|1,0,0]=3 24946 B14R1.62 CCN1CCC[C@@H]1COCCCC=O 7a_100011739246_200011292268 [0,1,0,1,0,0|1,0,0]=3 24947 B14R1.62 N#CC1CCCN1CCCCCC=O 2230a_100000701862_100000139337 [0,1,0,1,0,0|1,0,1]=4 24948 B14R1.62 N#C[C@@H]1CCC[C@H]1OCCCCC=O 7a_100011907464_100000139335 [0,1,0,1,0,0|1,0,1]=4 24949 B14R1.62 N#C[C@H]1CCCN1CCCCCC=O 2230a_106645074975_100000139337 [0,1,0,1,0,0|1,0,1]=4 24950 B14R1.62 N#C[C@H]1CCCN1CCCCCC=O 269982a_106645074975_100000139337 [0,1,0,1,0,0|1,0,1]=4 24951 B14R1.62 O=CCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000139337 [0,1,0,1,0,0|1,0,0]=3 24952 B14R1.62 O=CCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000139337 [0,1,0,1,0,0|1,0,0]=3 24953 B14R1.138 C#CCCCOC1CCCCCC1=O 7a_100000215630_100000243696 [0,1,0,1,0,0|0,0,2]=4 24954 B14R1.138 C#CCCCSC1CCCCCC1=O 62a_100000243696_100011215417 [0,1,0,1,0,0|0,0,2]=4 24955 B14R1.138 C#CCCCSC1CCCCCC1=O 62a_100011215417_100000243696 [0,1,0,1,0,0|0,0,2]=4 24956 B14R1.138 C=CCCCOC1CCCCCC1=O 7a_100000758997_100000243696 [0,1,0,1,0,0|0,0,2]=4 24957 B14R1.138 C=CCCCSC1CCCCCC1=O 62a_100000243696_100000757094 [0,1,0,1,0,0|0,0,2]=4 24958 B14R1.138 C=CCCCSC1CCCCCC1=O 62a_100011713584_100000243696 [0,1,0,1,0,0|0,0,2]=4 24959 B14R1.138 CC/C=C\CSC1CCCCCC1=O 62a_100000243696_100103147603 [0,1,0,1,0,0|0,0,2]=4 24960 B14R1.138 CC/C=C\CSC1CCCCCC1=O 62a_100103147603_100000243696 [0,1,0,1,0,0|0,0,2]=4 24961 B14R1.138 CCC#CCSC1CCCCCC1=O 62a_100000243696_100009813939 [0,1,0,1,0,0|0,0,2]=4 24962 B14R1.138 CCC#CCSC1CCCCCC1=O 62a_100009813939_100000243696 [0,1,0,1,0,0|0,0,2]=4 24963 B14R1.138 CCCCCNC1CCCCNC1=O 2230a_100000209983_100000735217 [0,1,0,1,0,0|1,0,0]=3 24964 B14R1.138 CCCCCNC1CCCCNC1=O 2230a_100000698827_100000210326 [0,1,0,1,0,0|1,0,0]=3 24965 B14R1.138 CCCCCNC1CCCCNC1=O 34a_100000698827_100000718602 [0,1,0,1,0,0|1,0,0]=3 24966 B14R1.138 CCCCCOC1CCCCCC1=O 7a_100000210253_100000243696 [0,1,0,1,0,0|0,0,0]=2 24967 B14R1.138 CCCCCOC1CCCCNC1=O 7a_100000210253_100000735217 [0,1,0,1,0,0|1,0,0]=3 24968 B14R1.138 CCCCCSC1CCCCCC1=O 62a_100000210326_100000243696 [0,1,0,1,0,0|0,0,0]=2 24969 B14R1.138 CCCCCSC1CCCCCC1=O 62a_100000243696_100000210326 [0,1,0,1,0,0|0,0,0]=2 24970 B14R1.138 CCCCCSC1CCCCNC1=O 62a_100000210326_100000735217 [0,1,0,1,0,0|1,0,0]=3 24971 B14R1.138 CCCCCSC1CCCCNC1=O 62a_100000735217_100000210326 [0,1,0,1,0,0|1,0,0]=3 24972 B14R1.138 CCNCCCN1CCCCCC1=O 2230a_100000195386_100000210202 [0,1,0,1,0,0|1,0,0]=3 24973 B14R1.138 CCNCCCN1CCCCCC1=O 34a_100000195386_100000210202 [0,1,0,1,0,0|1,0,0]=3 24974 B14R1.138 CCOCCNC1CCCCNC1=O 2230a_100000698827_100011215890 [0,1,0,1,0,0|2,0,0]=4 24975 B14R1.138 CCOCCNC1CCCCNC1=O 2230a_102516460346_100000735217 [0,1,0,1,0,0|2,0,0]=4 24976 B14R1.138 CCOCCNC1CCCCNC1=O 34a_100000698827_100000210147 [0,1,0,1,0,0|2,0,0]=4 24977 B14R1.138 CCOCCOC1CCCCCC1=O 7a_100000210136_100000243696 [0,1,0,1,0,0|1,0,0]=3 24978 B14R1.138 CCOCCOC1CCCCNC1=O 7a_100000210136_100000735217 [0,1,0,1,0,0|2,0,0]=4 24979 B14R1.138 CCOCCSC1CCCCCC1=O 62a_100000210147_100000243696 [0,1,0,1,0,0|1,0,0]=3 24980 B14R1.138 CCOCCSC1CCCCCC1=O 62a_100000243696_100011215890 [0,1,0,1,0,0|1,0,0]=3 24981 B14R1.138 CCOCCSC1CCCCNC1=O 62a_100000210147_100000735217 [0,1,0,1,0,0|2,0,0]=4 24982 B14R1.138 CCOCCSC1CCCCNC1=O 62a_100000735217_100011215890 [0,1,0,1,0,0|2,0,0]=4 24983 B14R1.138 CCSCCNC1CCCCNC1=O 2230a_100000106463_100000735217 [0,1,0,1,0,0|2,0,0]=4 24984 B14R1.138 CCSCCNC1CCCCNC1=O 2230a_100000698827_100000757381 [0,1,0,1,0,0|2,0,0]=4 24985 B14R1.138 CCSCCNC1CCCCNC1=O 34a_100000698827_100000757381 [0,1,0,1,0,0|2,0,0]=4 24986 B14R1.138 CCSCCOC1CCCCCC1=O 7a_100000212035_100000243696 [0,1,0,1,0,0|1,0,0]=3 24987 B14R1.138 CCSCCOC1CCCCNC1=O 7a_100000212035_100000735217 [0,1,0,1,0,0|2,0,0]=4 24988 B14R1.138 CCSCCSC1CCCCCC1=O 62a_100000243696_100000757381 [0,1,0,1,0,0|1,0,0]=3 24989 B14R1.138 CCSCCSC1CCCCCC1=O 62a_100000757381_100000243696 [0,1,0,1,0,0|1,0,0]=3 24990 B14R1.138 CCSCCSC1CCCCNC1=O 62a_100000735217_100000757381 [0,1,0,1,0,0|2,0,0]=4 24991 B14R1.138 CCSCCSC1CCCCNC1=O 62a_100000757381_100000735217 [0,1,0,1,0,0|2,0,0]=4 24992 B14R1.138 COCCCNC1CCCCNC1=O 2230a_100000698827_100000740836 [0,1,0,1,0,0|2,0,0]=4 24993 B14R1.138 COCCCNC1CCCCNC1=O 34a_100000698827_100000740836 [0,1,0,1,0,0|2,0,0]=4 24994 B14R1.138 COCCCSC1CCCCCC1=O 62a_100000243696_100000709357 [0,1,0,1,0,0|1,0,0]=3 24995 B14R1.138 COCCCSC1CCCCCC1=O 62a_100000709357_100000243696 [0,1,0,1,0,0|1,0,0]=3 24996 B14R1.138 COCCCSC1CCCCNC1=O 62a_100000709357_100000735217 [0,1,0,1,0,0|2,0,0]=4 24997 B14R1.138 COCCCSC1CCCCNC1=O 62a_100000735217_100000709357 [0,1,0,1,0,0|2,0,0]=4 24998 B14R1.138 CSCCCNC1CCCCNC1=O 2230a_100000749238_100000735217 [0,1,0,1,0,0|2,0,0]=4 24999 B14R1.138 CSCCCOC1CCCCCC1=O 7a_100000690336_100000243696 [0,1,0,1,0,0|1,0,0]=3 25000 B14R1.138 CSCCCOC1CCCCNC1=O 7a_100000690336_100000735217 [0,1,0,1,0,0|2,0,0]=4 25001 B14R1.138 N#CCCCSC1CCCCCC1=O 62a_100000243696_100000687738 [0,1,0,1,0,0|1,0,1]=4 25002 B14R1.138 N#CCCCSC1CCCCCC1=O 62a_100000687738_100000243696 [0,1,0,1,0,0|1,0,1]=4 25003 B14R1.138 O=C1CCCCCC1OCCCCCl 7a_100000210776_100000243696 [0,1,0,1,0,0|1,0,0]=3 25004 B14R1.138 O=C1CCCCCC1OCCCCF 7a_100011995726_100000243696 [0,1,0,1,0,0|1,0,0]=3 25005 B14R1.138 O=C1CCCCCC1SCCCCF 62a_100000243696_100000729493 [0,1,0,1,0,0|1,0,0]=3 25006 B14R1.138 O=C1CCCCCC1SCCCCF 62a_100000729493_100000243696 [0,1,0,1,0,0|1,0,0]=3 25007 B14R1.138 O=C1CCCCCC1SCCCCO 62a_100000210776_100000243696 [0,1,0,1,0,0|1,0,0]=3 25008 B14R1.138 O=C1CCCCCC1SCCCCO 62a_100000243696_100000210776 [0,1,0,1,0,0|1,0,0]=3 25009 B14R1.138 O=C1CCCCCN1CCCNCF 34a_100000195386_100015361967 [0,1,0,1,0,0|2,0,0]=4 25010 B14R1.138 O=C1NCCCCC1NCCCCF 2230a_100000698827_100000729493 [0,1,0,1,0,0|2,0,0]=4 25011 B14R1.138 O=C1NCCCCC1NCCCCF 34a_100000698827_100000729493 [0,1,0,1,0,0|2,0,0]=4 25012 B14R1.138 O=C1NCCCCC1NCCCCO 2230a_100000698827_100000210776 [0,1,0,1,0,0|2,0,0]=4 25013 B14R1.138 O=C1NCCCCC1NCCCCO 2230a_100000750430_100000735217 [0,1,0,1,0,0|2,0,0]=4 25014 B14R1.138 O=C1NCCCCC1NCCCCO 34a_100000698827_100011216708 [0,1,0,1,0,0|2,0,0]=4 25015 B14R1.138 O=C1NCCCCC1OCCCCCl 7a_100000210776_100000735217 [0,1,0,1,0,0|2,0,0]=4 25016 B14R1.138 O=C1NCCCCC1OCCCCF 7a_100011995726_100000735217 [0,1,0,1,0,0|2,0,0]=4 25017 B14R1.138 O=C1NCCCCC1SCCCCF 62a_100000729493_100000735217 [0,1,0,1,0,0|2,0,0]=4 25018 B14R1.138 O=C1NCCCCC1SCCCCF 62a_100000735217_100000729493 [0,1,0,1,0,0|2,0,0]=4 25019 B14R1.138 O=C1NCCCCC1SCCCCO 62a_100000210776_100000735217 [0,1,0,1,0,0|2,0,0]=4 25020 B14R1.138 O=C1NCCCCC1SCCCCO 62a_100000735217_100000210776 [0,1,0,1,0,0|2,0,0]=4 25021 B14R1.138 O=CCCCSC1CCCCCC1=O 62a_100000243696_200011292268 [0,1,0,1,0,0|1,0,1]=4 25022 B14R1.138 O=CCCCSC1CCCCCC1=O 62a_200011292268_100000243696 [0,1,0,1,0,0|1,0,1]=4 25023 B14R1.234 C#CCCCNC1CCCC1CCC 270004a_100000718082_100000723119 [0,1,0,1,0,0|1,0,1]=4 25024 B14R1.234 C=CCCCCN1CCC[C@H]1COC 2230a_100020646714_100011215482 [0,1,0,1,0,0|2,0,0]=4 25025 B14R1.234 C=CCCCCN1CCC[C@H]1COC 269982a_100020646714_100011215482 [0,1,0,1,0,0|2,0,0]=4 25026 B14R1.234 C=CCCCCN1CCC[C@H]1COC 34a_100020646714_100011215482 [0,1,0,1,0,0|2,0,0]=4 25027 B14R1.234 C=CCCCNC1CCCC1CCC 269862a_100000700776_100000723119 [0,1,0,1,0,0|1,0,0]=3 25028 B14R1.234 C=CCCCNC1CCCC1CCC 270004a_100000700776_100000723119 [0,1,0,1,0,0|1,0,0]=3 25029 B14R1.234 C=CCCOCC1CCCN1CCC 34a_200000694710_100000754431 [0,1,0,1,0,0|2,0,0]=4 25030 B14R1.234 C=CCCOCC1CCCN1CCC 7a_200000694710_100000754431 [0,1,0,1,0,0|2,0,0]=4 25031 B14R1.234 CCCC1CCCC1NCCCCO 269862a_100000750430_100000723119 [0,1,0,1,0,0|0,0,2]=4 25032 B14R1.234 CCCC1CCCC1NCCCCO 270004a_100000750430_100000723119 [0,1,0,1,0,0|0,0,2]=4 25033 B14R1.234 CCCC1CCCC1NCCCOC 269862a_100150723488_100000723119 [0,1,0,1,0,0|2,0,0]=4 25034 B14R1.234 CCCC1CCCC1NCCCOC 270004a_100150723488_100000723119 [0,1,0,1,0,0|2,0,0]=4 25035 B14R1.234 CCCC1CCCC1NCCCSC 269862a_100000749238_100000723119 [0,1,0,1,0,0|2,0,0]=4 25036 B14R1.234 CCCC1CCCC1NCCCSC 270004a_100000749238_100000723119 [0,1,0,1,0,0|2,0,0]=4 25037 B14R1.234 CCCCCCC1CCCC1NCC 269862a_100015525214_100000189428 [0,1,0,1,0,0|1,0,1]=4 25038 B14R1.234 CCCCCCC1CCCC1NCC 270004a_100015525214_100000189428 [0,1,0,1,0,0|1,0,1]=4 25039 B14R1.234 CCCCCCN1CCC[C@H]1COC 2230a_100020646714_100000210314 [0,1,0,1,0,0|2,0,0]=4 25040 B14R1.234 CCCCCCN1CCC[C@H]1COC 269982a_100020646714_100000210757 [0,1,0,1,0,0|2,0,0]=4 25041 B14R1.234 CCCCCCN1CCC[C@H]1COC 34a_100020646714_100000210314 [0,1,0,1,0,0|2,0,0]=4 25042 B14R1.234 CCCCCNC1CCCC1CCC 269862a_100000209983_100000723119 [0,1,0,1,0,0|1,0,1]=4 25043 B14R1.234 CCCCCNC1CCCC1CCC 270004a_100000209983_100000723119 [0,1,0,1,0,0|1,0,1]=4 25044 B14R1.234 COC[C@@H]1CCCN1CCCCC=O 2230a_100020646714_100000139335 [0,1,0,1,0,0|1,0,0]=3 25045 B14R1.234 COC[C@@H]1CCCN1CCCCC=O 269982a_100020646714_100000139335 [0,1,0,1,0,0|1,0,0]=3 25046 B14R1.476 C#CC1CCCCN1CCCCC=O 2230a_200020621307_100000139335 [0,1,0,1,0,0|0,0,2]=4 25047 B14R1.476 C#CC1CCCCN1CCCCC=O 269982a_200020621307_100000139335 [0,1,0,1,0,0|0,0,2]=4 25048 B14R1.476 C#CC1CCCCN1CCCCCC 2230a_200020621307_100000210314 [0,1,0,1,0,0|1,0,1]=4 25049 B14R1.476 C#CC1CCCCN1CCCCCC 269982a_200020621307_100000210757 [0,1,0,1,0,0|1,0,1]=4 25050 B14R1.476 C#CC1CCCCN1CCCCCC 34a_200020621307_100000210314 [0,1,0,1,0,0|1,0,1]=4 25051 B14R1.476 C#CCCCCN1CCCCC1CC 2230a_100000210034_100010269958 [0,1,0,1,0,0|1,0,1]=4 25052 B14R1.476 C#CCCCCN1CCCCC1CC 269982a_100000210034_100010269958 [0,1,0,1,0,0|1,0,1]=4 25053 B14R1.476 C#CCCCCN1CCCCC1CC 34a_100000210034_100010269958 [0,1,0,1,0,0|1,0,1]=4 25054 B14R1.476 C#CCCCNC1CCCCC1CC 270004a_100000718082_100000757040 [0,1,0,1,0,0|1,0,1]=4 25055 B14R1.476 C#CCCCOC1CCCCC1CC 34a_100000210738_100000695029 [0,1,0,1,0,0|1,0,1]=4 25056 B14R1.476 C#CCCCOC1CCCCC1CC 7a_100000210738_100011215417 [0,1,0,1,0,0|1,0,1]=4 25057 B14R1.476 C=CCCCCN1CCCCC1CC 2230a_100000210034_100011215482 [0,1,0,1,0,0|1,0,0]=3 25058 B14R1.476 C=CCCCCN1CCCCC1CC 269982a_100000210034_100011215482 [0,1,0,1,0,0|1,0,0]=3 25059 B14R1.476 C=CCCCCN1CCCCC1CC 34a_100000210034_100011215482 [0,1,0,1,0,0|1,0,0]=3 25060 B14R1.476 C=CCCCCN1CCCCC1CO 2230a_100000210821_100011215482 [0,1,0,1,0,0|2,0,0]=4 25061 B14R1.476 C=CCCCCN1CCCCC1CO 269982a_100000210821_100011215482 [0,1,0,1,0,0|2,0,0]=4 25062 B14R1.476 C=CCCCCN1CCCCC1CO 34a_100000210821_100011215482 [0,1,0,1,0,0|2,0,0]=4 25063 B14R1.476 C=CCCCCN1CCOC[C@@H]1CC 2230a_100016988097_100011215482 [0,1,0,1,0,0|2,0,0]=4 25064 B14R1.476 C=CCCCCN1CCOC[C@@H]1CC 269982a_100016988097_100011215482 [0,1,0,1,0,0|2,0,0]=4 25065 B14R1.476 C=CCCCCN1CCOC[C@@H]1CC 34a_100016988097_100011215482 [0,1,0,1,0,0|2,0,0]=4 25066 B14R1.476 C=CCCCNC1CCCCC1CC 269862a_100000700776_100000757040 [0,1,0,1,0,0|1,0,0]=3 25067 B14R1.476 C=CCCCNC1CCCCC1CC 270004a_100000700776_100000757040 [0,1,0,1,0,0|1,0,0]=3 25068 B14R1.476 C=CCCCNC1CCCCC1CO 270004a_100000700776_100009861125 [0,1,0,1,0,0|2,0,0]=4 25069 B14R1.476 C=CCCCNC1CCCCC1OC 270004a_100000700776_100000740605 [0,1,0,1,0,0|2,0,0]=4 25070 B14R1.476 C=CCCCNC1CCCCC1OC 34a_100011208099_100000757094 [0,1,0,1,0,0|2,0,0]=4 25071 B14R1.476 C=CCCCOC1CCCCC1CC 34a_100000210738_100000757094 [0,1,0,1,0,0|1,0,0]=3 25072 B14R1.476 C=CCCCOC1CCCCC1CC 7a_100000210738_100000757094 [0,1,0,1,0,0|1,0,0]=3 25073 B14R1.476 C=CCCCOC1CCCCC1CN 34a_100011216029_100000757094 [0,1,0,1,0,0|2,0,0]=4 25074 B14R1.476 C=CCCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000757094 [0,1,0,1,0,0|2,0,0]=4 25075 B14R1.476 C=CCCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000757094 [0,1,0,1,0,0|2,0,0]=4 25076 B14R1.476 C=CCCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000757094 [0,1,0,1,0,0|2,0,0]=4 25077 B14R1.476 C=CCCNCC1CCCCN1CC 2230a_100000754393_100000754431 [0,1,0,1,0,0|2,0,0]=4 25078 B14R1.476 C=CCCNCC1CCCCN1CC 34a_100000754393_100000754431 [0,1,0,1,0,0|2,0,0]=4 25079 B14R1.476 C=CCCOCC1CCCCN1CC 34a_100000225091_100000754431 [0,1,0,1,0,0|2,0,0]=4 25080 B14R1.476 C=CCCOCC1CCCCN1CC 7a_100000225091_100000754431 [0,1,0,1,0,0|2,0,0]=4 25081 B14R1.476 C=CCNCCN1CCCCC1CC 2230a_100000755458_100000210623 [0,1,0,1,0,0|2,0,0]=4 25082 B14R1.476 C=CCNCCN1CCCCC1CC 34a_100000755458_100015514636 [0,1,0,1,0,0|2,0,0]=4 25083 B14R1.476 C=COCCOC1CCCCC1CC 34a_100000210738_100000039644 [0,1,0,1,0,0|2,0,0]=4 25084 B14R1.476 C=COCCOC1CCCCC1CC 7a_100000210738_100000039644 [0,1,0,1,0,0|2,0,0]=4 25085 B14R1.476 CCC1CCCCC1NCCCCO 269862a_100000750430_100000757040 [0,1,0,1,0,0|0,0,2]=4 25086 B14R1.476 CCC1CCCCC1NCCCCO 270004a_100000750430_100000757040 [0,1,0,1,0,0|0,0,2]=4 25087 B14R1.476 CCC1CCCCC1NCCCOC 269862a_100150723488_100000757040 [0,1,0,1,0,0|2,0,0]=4 25088 B14R1.476 CCC1CCCCC1NCCCOC 270004a_100150723488_100000757040 [0,1,0,1,0,0|2,0,0]=4 25089 B14R1.476 CCC1CCCCC1NCCCSC 269862a_100000749238_100000757040 [0,1,0,1,0,0|2,0,0]=4 25090 B14R1.476 CCC1CCCCC1NCCCSC 270004a_100000749238_100000757040 [0,1,0,1,0,0|2,0,0]=4 25091 B14R1.476 CCC1CCCCC1OCCCC#N 7a_100000210738_100000687738 [0,1,0,1,0,0|1,0,1]=4 25092 B14R1.476 CCC1CCCCC1OCCCC=O 7a_100000210738_200011292268 [0,1,0,1,0,0|0,0,0]=2 25093 B14R1.476 CCC1CCCCC1OCCCCF 34a_100000210738_100000729493 [0,1,0,1,0,0|1,0,1]=4 25094 B14R1.476 CCC1CCCCC1OCCCCF 7a_100000210738_100000729493 [0,1,0,1,0,0|1,0,1]=4 25095 B14R1.476 CCC1CCCCC1OCCCCO 34a_100000210738_100011216708 [0,1,0,1,0,0|0,0,2]=4 25096 B14R1.476 CCC1CCCCC1OCCCCO 7a_100000210738_100000210776 [0,1,0,1,0,0|0,0,2]=4 25097 B14R1.476 CCC1CCCCC1OCCCOC 34a_100000210738_100000740836 [0,1,0,1,0,0|2,0,0]=4 25098 B14R1.476 CCC1CCCCC1OCCCOC 7a_100000210738_100000740836 [0,1,0,1,0,0|2,0,0]=4 25099 B14R1.476 CCC1CCCCN1CCCCC#N 2230a_100000210034_100000211819 [0,1,0,1,0,0|1,0,1]=4 25100 B14R1.476 CCC1CCCCN1CCCCC#N 269982a_100000210034_100011219923 [0,1,0,1,0,0|1,0,1]=4 25101 B14R1.476 CCC1CCCCN1CCCCC=O 2230a_100000210034_100000139335 [0,1,0,1,0,0|0,0,0]=2 25102 B14R1.476 CCC1CCCCN1CCCCC=O 269982a_100000210034_100000139335 [0,1,0,1,0,0|0,0,0]=2 25103 B14R1.476 CCC1CCCCN1CCCCCF 2230a_100000210034_100000729378 [0,1,0,1,0,0|1,0,1]=4 25104 B14R1.476 CCC1CCCCN1CCCCCF 269982a_100000210034_100000729378 [0,1,0,1,0,0|1,0,1]=4 25105 B14R1.476 CCC1CCCCN1CCCCCF 34a_100000210034_100000729378 [0,1,0,1,0,0|1,0,1]=4 25106 B14R1.476 CCC1CCCCN1CCCCCO 2230a_100000210034_100000746330 [0,1,0,1,0,0|0,0,2]=4 25107 B14R1.476 CCC1CCCCN1CCCCCO 269982a_100000210034_100000746330 [0,1,0,1,0,0|0,0,2]=4 25108 B14R1.476 CCC1CCCCN1CCCCCO 34a_100000210034_100000746330 [0,1,0,1,0,0|0,0,2]=4 25109 B14R1.476 CCC1CCCCN1CCCCOC 2230a_100000210034_100000730899 [0,1,0,1,0,0|2,0,0]=4 25110 B14R1.476 CCC1CCCCN1CCCCOC 269982a_100000210034_100000730899 [0,1,0,1,0,0|2,0,0]=4 25111 B14R1.476 CCC1CCCCN1CCCCOC 34a_100000210034_100000755781 [0,1,0,1,0,0|2,0,0]=4 25112 B14R1.476 CCC1CCCCN1CCNCC=O 2230a_100000755458_200015260668 [0,1,0,1,0,0|1,0,0]=3 25113 B14R1.476 CCC1CCCCN1CCNCC=O 34a_100000755458_200009817547 [0,1,0,1,0,0|1,0,0]=3 25114 B14R1.476 CCCCCCN1CCCCC1C#N 34a_100016989756_100000210314 [0,1,0,1,0,0|1,0,1]=4 25115 B14R1.476 CCCCCCN1CCCCC1CC 2230a_100000210034_100000210314 [0,1,0,1,0,0|1,0,1]=4 25116 B14R1.476 CCCCCCN1CCCCC1CC 269982a_100000210034_100000210757 [0,1,0,1,0,0|1,0,1]=4 25117 B14R1.476 CCCCCCN1CCCCC1CC 34a_100000210034_100000210314 [0,1,0,1,0,0|1,0,1]=4 25118 B14R1.476 CCCCCCN1CCCCC1CO 2230a_100000210821_100000210314 [0,1,0,1,0,0|0,0,2]=4 25119 B14R1.476 CCCCCCN1CCCCC1CO 269982a_100000210821_100000210757 [0,1,0,1,0,0|0,0,2]=4 25120 B14R1.476 CCCCCCN1CCCCC1CO 34a_100000210821_100000210314 [0,1,0,1,0,0|0,0,2]=4 25121 B14R1.476 CCCCCNC1CCCCC1CC 269862a_100000209983_100000757040 [0,1,0,1,0,0|1,0,1]=4 25122 B14R1.476 CCCCCNC1CCCCC1CC 270004a_100000209983_100000757040 [0,1,0,1,0,0|1,0,1]=4 25123 B14R1.476 CCCCCNC1CCCCC1CO 270004a_100000209983_100009861125 [0,1,0,1,0,0|0,0,2]=4 25124 B14R1.476 CCCCCNC1CCCCC1OC 270004a_100000209983_100000740605 [0,1,0,1,0,0|2,0,0]=4 25125 B14R1.476 CCCCCNC1CCCCC1OC 34a_100011208099_100000718602 [0,1,0,1,0,0|2,0,0]=4 25126 B14R1.476 CCCCCOC1CCCCC1CC 34a_100000210738_100000718602 [0,1,0,1,0,0|1,0,1]=4 25127 B14R1.476 CCCCCOC1CCCCC1CC 7a_100000210738_100000210326 [0,1,0,1,0,0|1,0,1]=4 25128 B14R1.476 CCCCCOC1CCCCC1CN 34a_100011216029_100000718602 [0,1,0,1,0,0|1,0,1]=4 25129 B14R1.476 CCCCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000718602 [0,1,0,1,0,0|2,0,0]=4 25130 B14R1.476 CCCCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000718602 [0,1,0,1,0,0|2,0,0]=4 25131 B14R1.476 CCCCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210326 [0,1,0,1,0,0|2,0,0]=4 25132 B14R1.476 CC[C@H]1COCCN1CCCCC=O 2230a_100016988097_100000139335 [0,1,0,1,0,0|1,0,0]=3 25133 B14R1.476 CC[C@H]1COCCN1CCCCC=O 269982a_100016988097_100000139335 [0,1,0,1,0,0|1,0,0]=3 25134 B14R1.476 CO[C@H]1CCCC[C@@H]1OCCCC=O 7a_200009815850_200011292268 [0,1,0,1,0,0|1,0,0]=3 25135 B14R1.476 O=CCCCCN1CCCCC1CO 2230a_100000210821_100000139335 [0,1,0,1,0,0|1,0,0]=3 25136 B14R1.476 O=CCCCCN1CCCCC1CO 269982a_100000210821_100000139335 [0,1,0,1,0,0|1,0,0]=3 25137 B14R1.476 O=CCCCCN1CCOC[C@H]1CO 2230a_100000717676_100000139335 [0,1,0,1,0,0|2,0,0]=4 25138 B14R1.476 O=CCCCCN1CCOC[C@H]1CO 269982a_100000717676_100000139335 [0,1,0,1,0,0|2,0,0]=4 25139 B14R1.476 O=CCCCNC1CCOCC1CO 2230a_214813039666_200011292268 [0,1,0,1,0,0|2,0,0]=4 25140 B14R1.476 O=CCNCCN1CCCCC1CO 2230a_100011473795_200015260668 [0,1,0,1,0,0|2,0,0]=4 25141 B14R1.476 O=CCNCCN1CCCCC1CO 34a_100011473795_200009817547 [0,1,0,1,0,0|2,0,0]=4 25142 B14R1.787 C=CCCN1CCCCC1CCCO 2230a_100011934581_100000754431 [0,1,0,1,0,0|2,0,0]=4 25143 B14R1.787 C=CCCN1CCCCC1CCCO 269982a_100011934581_100000754431 [0,1,0,1,0,0|2,0,0]=4 25144 B14R1.787 C=CCCN1CCCCC1CCCO 34a_100011934581_100000754431 [0,1,0,1,0,0|2,0,0]=4 25145 B14R1.787 C=CCCN1CCCCC1CCOC 2230a_100015186528_100000754431 [0,1,0,1,0,0|2,0,0]=4 25146 B14R1.787 C=CCCN1CCCCC1CCOC 269982a_100015186528_100000754431 [0,1,0,1,0,0|2,0,0]=4 25147 B14R1.787 C=CCCN1CCCCC1CCOC 34a_100015186528_100000754431 [0,1,0,1,0,0|2,0,0]=4 25148 B14R1.787 CCCCN1CCCCC1CCCO 2230a_100011934581_100000210211 [0,1,0,1,0,0|0,0,2]=4 25149 B14R1.787 CCCCN1CCCCC1CCCO 269982a_100011934581_100000210211 [0,1,0,1,0,0|0,0,2]=4 25150 B14R1.787 CCCCN1CCCCC1CCCO 34a_100011934581_100000210210 [0,1,0,1,0,0|0,0,2]=4 25151 B14R1.787 CCCCN1CCCCC1CCOC 2230a_100015186528_100000210211 [0,1,0,1,0,0|2,0,0]=4 25152 B14R1.787 CCCCN1CCCCC1CCOC 269982a_100015186528_100000210211 [0,1,0,1,0,0|2,0,0]=4 25153 B14R1.787 CCCCN1CCCCC1CCOC 34a_100015186528_100000210210 [0,1,0,1,0,0|2,0,0]=4 25154 B14R1.787 CCCNC1CCCCC1CCC#N 270004a_100020643023_100000034616 [0,1,0,1,0,0|1,0,1]=4 25155 B14R1.904 C#CCCCN1CCCCC1CCC 2230a_100000701414_100000731252 [0,1,0,1,0,0|1,0,1]=4 25156 B14R1.904 C#CCCCN1CCCCC1CCC 269982a_100000701414_100011215417 [0,1,0,1,0,0|1,0,1]=4 25157 B14R1.904 C#CCCCN1CCCCC1CCC 34a_100000701414_100000695029 [0,1,0,1,0,0|1,0,1]=4 25158 B14R1.904 C#CCCOC1CCCCC1CCC 34a_100011217265_100000688953 [0,1,0,1,0,0|1,0,1]=4 25159 B14R1.904 C#CCCOC1CCCCC1CCC 7a_100011217265_100000688953 [0,1,0,1,0,0|1,0,1]=4 25160 B14R1.904 C/C=C/COC1CCCCC1CCC 34a_100011217265_100102629194 [0,1,0,1,0,0|1,0,1]=4 25161 B14R1.904 C/C=C/COC1CCCCC1CCC 7a_100011217265_100102629194 [0,1,0,1,0,0|1,0,1]=4 25162 B14R1.904 C=CCC1CCCCC1NCCCC 269862a_100000102301_100011214939 [0,1,0,1,0,0|1,0,0]=3 25163 B14R1.904 C=CCC1CCCCC1NCCCC 270004a_100000102301_100011214939 [0,1,0,1,0,0|1,0,0]=3 25164 B14R1.904 C=CCC1CCCCC1NCCCF 269862a_100015189416_100011214939 [0,1,0,1,0,0|2,0,0]=4 25165 B14R1.904 C=CCC1CCCCC1NCCCF 270004a_100015189416_100011214939 [0,1,0,1,0,0|2,0,0]=4 25166 B14R1.904 C=CCC1CCCCC1NCCCO 269862a_100000182051_100011214939 [0,1,0,1,0,0|2,0,0]=4 25167 B14R1.904 C=CCC1CCCCC1NCCCO 270004a_100000182051_100011214939 [0,1,0,1,0,0|2,0,0]=4 25168 B14R1.904 C=CCC1CCCCC1NCCOC 269862a_100000209980_100011214939 [0,1,0,1,0,0|2,0,0]=4 25169 B14R1.904 C=CCC1CCCCC1NCCOC 270004a_100000209980_100011214939 [0,1,0,1,0,0|2,0,0]=4 25170 B14R1.904 C=CCC1CCCCC1NCCSC 269862a_100020590264_100011214939 [0,1,0,1,0,0|2,0,0]=4 25171 B14R1.904 C=CCC1CCCCC1NCCSC 270004a_100020590264_100011214939 [0,1,0,1,0,0|2,0,0]=4 25172 B14R1.904 C=CCCCN1CCCCC1CCC 2230a_100000701414_100011713584 [0,1,0,1,0,0|1,0,0]=3 25173 B14R1.904 C=CCCCN1CCCCC1CCC 269982a_100000701414_100000757094 [0,1,0,1,0,0|1,0,0]=3 25174 B14R1.904 C=CCCCN1CCCCC1CCC 34a_100000701414_100000757094 [0,1,0,1,0,0|1,0,0]=3 25175 B14R1.904 C=CCCCN1CCCCC1CCO 2230a_100000211664_100011713584 [0,1,0,1,0,0|2,0,0]=4 25176 B14R1.904 C=CCCCN1CCCCC1CCO 269982a_100000211664_100000757094 [0,1,0,1,0,0|2,0,0]=4 25177 B14R1.904 C=CCCCN1CCCCC1CCO 34a_100000211664_100000757094 [0,1,0,1,0,0|2,0,0]=4 25178 B14R1.904 C=CCCCN1CCCCC1COC 2230a_100015184032_100011713584 [0,1,0,1,0,0|2,0,0]=4 25179 B14R1.904 C=CCCCN1CCCCC1COC 269982a_100015184032_100000757094 [0,1,0,1,0,0|2,0,0]=4 25180 B14R1.904 C=CCCCN1CCCCC1COC 34a_100015184032_100000757094 [0,1,0,1,0,0|2,0,0]=4 25181 B14R1.904 C=CCCCN1CCOCC1CCC 2230a_102495339903_100011713584 [0,1,0,1,0,0|2,0,0]=4 25182 B14R1.904 C=CCCCN1CCOCC1CCC 269982a_102495339903_100000757094 [0,1,0,1,0,0|2,0,0]=4 25183 B14R1.904 C=CCCCN1CCOCC1CCC 34a_102495339903_100000757094 [0,1,0,1,0,0|2,0,0]=4 25184 B14R1.904 C=CCCNC1CCCCC1CCC 269862a_100015191253_100011218038 [0,1,0,1,0,0|1,0,0]=3 25185 B14R1.904 C=CCCNC1CCCCC1CCC 270004a_100015191253_100011218038 [0,1,0,1,0,0|1,0,0]=3 25186 B14R1.904 C=CCCNC1CCCCC1OCC 270004a_100015191253_200000031474 [0,1,0,1,0,0|2,0,0]=4 25187 B14R1.904 C=CCCOC1CCCCC1CCC 34a_100011217265_100000754431 [0,1,0,1,0,0|1,0,0]=3 25188 B14R1.904 C=CCCOC1CCCCC1CCC 7a_100011217265_100000754431 [0,1,0,1,0,0|1,0,0]=3 25189 B14R1.904 C=CCN1CCCCC1CCCOC 2230a_100011804088_100000210623 [0,1,0,1,0,0|2,0,0]=4 25190 B14R1.904 C=CCN1CCCCC1CCCOC 269982a_100011804088_100000210623 [0,1,0,1,0,0|2,0,0]=4 25191 B14R1.904 C=CCN1CCCCC1CCCOC 34a_100011804088_100015514636 [0,1,0,1,0,0|2,0,0]=4 25192 B14R1.904 C=COCCN1CCCCC1CCC 2230a_100000701414_100000039644 [0,1,0,1,0,0|2,0,0]=4 25193 B14R1.904 C=COCCN1CCCCC1CCC 269982a_100000701414_100000039644 [0,1,0,1,0,0|2,0,0]=4 25194 B14R1.904 C=COCCN1CCCCC1CCC 34a_100000701414_100000039644 [0,1,0,1,0,0|2,0,0]=4 25195 B14R1.904 CC=CCOC1CCCCC1CCC 34a_100011217265_100000070051 [0,1,0,1,0,0|1,0,1]=4 25196 B14R1.904 CC=CCOC1CCCCC1CCC 7a_100011217265_100000070051 [0,1,0,1,0,0|1,0,1]=4 25197 B14R1.904 CCCC1CCCCC1NCCC#N 270004a_100000720768_100011218038 [0,1,0,1,0,0|1,0,1]=4 25198 B14R1.904 CCCC1CCCCC1NCCCF 269862a_100015189416_100011218038 [0,1,0,1,0,0|1,0,1]=4 25199 B14R1.904 CCCC1CCCCC1NCCCF 270004a_100015189416_100011218038 [0,1,0,1,0,0|1,0,1]=4 25200 B14R1.904 CCCC1CCCCC1NCCCO 269862a_100000182051_100011218038 [0,1,0,1,0,0|0,0,2]=4 25201 B14R1.904 CCCC1CCCCC1NCCCO 270004a_100000182051_100011218038 [0,1,0,1,0,0|0,0,2]=4 25202 B14R1.904 CCCC1CCCCC1NCCOC 269862a_100000209980_100011218038 [0,1,0,1,0,0|2,0,0]=4 25203 B14R1.904 CCCC1CCCCC1NCCOC 270004a_100000209980_100011218038 [0,1,0,1,0,0|2,0,0]=4 25204 B14R1.904 CCCC1CCCCC1NCCSC 269862a_100020590264_100011218038 [0,1,0,1,0,0|2,0,0]=4 25205 B14R1.904 CCCC1CCCCC1NCCSC 270004a_100020590264_100011218038 [0,1,0,1,0,0|2,0,0]=4 25206 B14R1.904 CCCC1CCCCC1OCCC#N 7a_100011217265_100000184422 [0,1,0,1,0,0|1,0,1]=4 25207 B14R1.904 CCCC1CCCCC1OCCCF 34a_100011217265_100011934791 [0,1,0,1,0,0|1,0,1]=4 25208 B14R1.904 CCCC1CCCCC1OCCCF 7a_100011217265_100011934791 [0,1,0,1,0,0|1,0,1]=4 25209 B14R1.904 CCCC1CCCCC1OCCCO 34a_100011217265_100000230001 [0,1,0,1,0,0|0,0,2]=4 25210 B14R1.904 CCCC1CCCCC1OCCCO 7a_100011217265_100011215043 [0,1,0,1,0,0|0,0,2]=4 25211 B14R1.904 CCCC1CCCCC1OCCOC 34a_100011217265_100011201679 [0,1,0,1,0,0|2,0,0]=4 25212 B14R1.904 CCCC1CCCCC1OCCOC 7a_100011217265_100000233755 [0,1,0,1,0,0|2,0,0]=4 25213 B14R1.904 CCCC1CCCCC1OCCSC 34a_100011217265_100000212216 [0,1,0,1,0,0|2,0,0]=4 25214 B14R1.904 CCCC1CCCCC1OCCSC 7a_100011217265_100000212216 [0,1,0,1,0,0|2,0,0]=4 25215 B14R1.904 CCCC1CCCCN1CCCC#N 2230a_100000701414_100000687738 [0,1,0,1,0,0|1,0,1]=4 25216 B14R1.904 CCCC1CCCCN1CCCC#N 269982a_100000701414_100000687738 [0,1,0,1,0,0|1,0,1]=4 25217 B14R1.904 CCCC1CCCCN1CCCC=O 2230a_100000701414_200011292268 [0,1,0,1,0,0|0,0,0]=2 25218 B14R1.904 CCCC1CCCCN1CCCC=O 269982a_100000701414_200011292268 [0,1,0,1,0,0|0,0,0]=2 25219 B14R1.904 CCCC1CCCCN1CCCCF 2230a_100000701414_100000729493 [0,1,0,1,0,0|1,0,1]=4 25220 B14R1.904 CCCC1CCCCN1CCCCF 269982a_100000701414_100000729493 [0,1,0,1,0,0|1,0,1]=4 25221 B14R1.904 CCCC1CCCCN1CCCCF 34a_100000701414_100000729493 [0,1,0,1,0,0|1,0,1]=4 25222 B14R1.904 CCCC1CCCCN1CCCCO 2230a_100000701414_100000210776 [0,1,0,1,0,0|0,0,2]=4 25223 B14R1.904 CCCC1CCCCN1CCCCO 269982a_100000701414_100000210776 [0,1,0,1,0,0|0,0,2]=4 25224 B14R1.904 CCCC1CCCCN1CCCCO 34a_100000701414_100011216708 [0,1,0,1,0,0|0,0,2]=4 25225 B14R1.904 CCCC1CCCCN1CCCOC 2230a_100000701414_100000740836 [0,1,0,1,0,0|2,0,0]=4 25226 B14R1.904 CCCC1CCCCN1CCCOC 269982a_100000701414_100000740836 [0,1,0,1,0,0|2,0,0]=4 25227 B14R1.904 CCCC1CCCCN1CCCOC 34a_100000701414_100000740836 [0,1,0,1,0,0|2,0,0]=4 25228 B14R1.904 CCCC1COCCN1CCCC=O 2230a_102495339903_200011292268 [0,1,0,1,0,0|1,0,0]=3 25229 B14R1.904 CCCC1COCCN1CCCC=O 269982a_102495339903_200011292268 [0,1,0,1,0,0|1,0,0]=3 25230 B14R1.904 CCCCCN1CCCCC1CC#N 2230a_100000133382_100000210326 [0,1,0,1,0,0|1,0,1]=4 25231 B14R1.904 CCCCCN1CCCCC1CC#N 34a_100000133382_100000718602 [0,1,0,1,0,0|1,0,1]=4 25232 B14R1.904 CCCCCN1CCCCC1CCC 2230a_100000701414_100000210326 [0,1,0,1,0,0|1,0,1]=4 25233 B14R1.904 CCCCCN1CCCCC1CCC 269982a_100000701414_100000210215 [0,1,0,1,0,0|1,0,1]=4 25234 B14R1.904 CCCCCN1CCCCC1CCC 34a_100000701414_100000718602 [0,1,0,1,0,0|1,0,1]=4 25235 B14R1.904 CCCCCN1CCCCC1CCO 2230a_100000211664_100000210326 [0,1,0,1,0,0|0,0,2]=4 25236 B14R1.904 CCCCCN1CCCCC1CCO 269982a_100000211664_100000210215 [0,1,0,1,0,0|0,0,2]=4 25237 B14R1.904 CCCCCN1CCCCC1CCO 34a_100000211664_100000718602 [0,1,0,1,0,0|0,0,2]=4 25238 B14R1.904 CCCCCN1CCCCC1COC 2230a_100015184032_100000210326 [0,1,0,1,0,0|2,0,0]=4 25239 B14R1.904 CCCCCN1CCCCC1COC 269982a_100015184032_100000210215 [0,1,0,1,0,0|2,0,0]=4 25240 B14R1.904 CCCCCN1CCCCC1COC 34a_100015184032_100000718602 [0,1,0,1,0,0|2,0,0]=4 25241 B14R1.904 CCCCNC1CCCCC1CC#N 270004a_100000102301_100009866218 [0,1,0,1,0,0|1,0,1]=4 25242 B14R1.904 CCCCNC1CCCCC1CCC 269862a_100000102301_100011218038 [0,1,0,1,0,0|1,0,1]=4 25243 B14R1.904 CCCCNC1CCCCC1CCC 270004a_100000102301_100011218038 [0,1,0,1,0,0|1,0,1]=4 25244 B14R1.904 CCCCOC1CCCCC1CCC 34a_100011217265_100000210210 [0,1,0,1,0,0|1,0,1]=4 25245 B14R1.904 CCCCOC1CCCCC1CCC 7a_100011217265_100000210211 [0,1,0,1,0,0|1,0,1]=4 25246 B14R1.904 CCCN1CCCCC1CCCOC 2230a_100011804088_100000210303 [0,1,0,1,0,0|2,0,0]=4 25247 B14R1.904 CCCN1CCCCC1CCCOC 269982a_100011804088_100000210303 [0,1,0,1,0,0|2,0,0]=4 25248 B14R1.904 CCCN1CCCCC1CCCOC 34a_100011804088_100000210303 [0,1,0,1,0,0|2,0,0]=4 25249 B14R1.904 COCC1CCCCN1CCCC=O 2230a_100015184032_200011292268 [0,1,0,1,0,0|1,0,0]=3 25250 B14R1.904 COCC1CCCCN1CCCC=O 269982a_100015184032_200011292268 [0,1,0,1,0,0|1,0,0]=3 25251 B14R1.904 COCCCC1CCCCN1CC=O 2230a_100011804088_200015260668 [0,1,0,1,0,0|1,0,0]=3 25252 B14R1.904 COCCCC1CCCCN1CC=O 269982a_100011804088_200015260668 [0,1,0,1,0,0|1,0,0]=3 25253 B14R1.904 COCCCC1CCCCN1CC=O 34a_100011804088_200009817547 [0,1,0,1,0,0|1,0,0]=3 25254 B14R1.904 COC[C@H]1COCCN1CCCC=O 2230a_100016989928_200011292268 [0,1,0,1,0,0|2,0,0]=4 25255 B14R1.904 COC[C@H]1COCCN1CCCC=O 269982a_100016989928_200011292268 [0,1,0,1,0,0|2,0,0]=4 25256 B14R1.904 N#CCC1CCCCN1CCCC=O 2230a_100000133382_200011292268 [0,1,0,1,0,0|1,0,1]=4 25257 B14R1.904 NCCN1CCCCC1COCC=O 34a_100011473795_200009817547 [0,1,0,1,0,0|2,0,0]=4 25258 B14R1.904 O=CCCCN1CCCCC1CCO 2230a_100000211664_200011292268 [0,1,0,1,0,0|1,0,0]=3 25259 B14R1.904 O=CCCCN1CCCCC1CCO 269982a_100000211664_200011292268 [0,1,0,1,0,0|1,0,0]=3 25260 B14R1.911 C=CCCNC1CCCC1CCCC 269862a_100015191253_100000750825 [0,1,0,1,0,0|1,0,0]=3 25261 B14R1.911 C=CCCNC1CCCC1CCCC 270004a_100015191253_100000750825 [0,1,0,1,0,0|1,0,0]=3 25262 B14R1.911 C=CCNC1CCCC1CCCCC 270004a_100020586998_200000198059 [0,1,0,1,0,0|1,0,0]=3 25263 B14R1.911 CCCCC1C=CCN1CCCC=O 2230a_100015184376_200011292268 [0,1,0,1,0,0|0,0,2]=4 25264 B14R1.911 CCCCC1C=CCN1CCCC=O 269982a_100015184376_200011292268 [0,1,0,1,0,0|0,0,2]=4 25265 B14R1.911 CCCCC1CCCC1NCCC#N 270004a_100000720768_100000750825 [0,1,0,1,0,0|1,0,1]=4 25266 B14R1.911 CCCCC1CCCC1NCCCF 269862a_100015189416_100000750825 [0,1,0,1,0,0|1,0,1]=4 25267 B14R1.911 CCCCC1CCCC1NCCCF 270004a_100015189416_100000750825 [0,1,0,1,0,0|1,0,1]=4 25268 B14R1.911 CCCCC1CCCC1NCCCO 269862a_100000182051_100000750825 [0,1,0,1,0,0|0,0,2]=4 25269 B14R1.911 CCCCC1CCCC1NCCCO 270004a_100000182051_100000750825 [0,1,0,1,0,0|0,0,2]=4 25270 B14R1.911 CCCCC1CCCC1NCCOC 269862a_100000209980_100000750825 [0,1,0,1,0,0|2,0,0]=4 25271 B14R1.911 CCCCC1CCCC1NCCOC 270004a_100000209980_100000750825 [0,1,0,1,0,0|2,0,0]=4 25272 B14R1.911 CCCCC1CCCC1NCCSC 269862a_100020590264_100000750825 [0,1,0,1,0,0|2,0,0]=4 25273 B14R1.911 CCCCC1CCCC1NCCSC 270004a_100020590264_100000750825 [0,1,0,1,0,0|2,0,0]=4 25274 B14R1.911 CCCCCC1CCCC1NCCC 269862a_100020643023_200000198059 [0,1,0,1,0,0|1,0,1]=4 25275 B14R1.911 CCCCCC1CCCC1NCCC 270004a_100020643023_200000198059 [0,1,0,1,0,0|1,0,1]=4 25276 B14R1.911 CCCCCC1CCCC1NCCF 269862a_100000724931_200000198059 [0,1,0,1,0,0|1,0,1]=4 25277 B14R1.911 CCCCCC1CCCC1NCCO 269862a_100000210304_200000198059 [0,1,0,1,0,0|0,0,2]=4 25278 B14R1.911 CCCCCC1CCCC1NCCO 270004a_100000210304_200000198059 [0,1,0,1,0,0|0,0,2]=4 25279 B14R1.911 CCCCNC1CCCC1CCC#N 270004a_100000102301_100000073560 [0,1,0,1,0,0|1,0,1]=4 25280 B14R1.911 CCCCNC1CCCC1CCCC 269862a_100000102301_100000750825 [0,1,0,1,0,0|1,0,1]=4 25281 B14R1.911 CCCCNC1CCCC1CCCC 270004a_100000102301_100000750825 [0,1,0,1,0,0|1,0,1]=4 25282 B14R1.2352 BrCCCCCOC1CCCCCC1 34a_100000746331_100011217769 [0,1,0,1,0,0|1,0,1]=4 25283 B14R1.2352 BrCCCCOCC1CCCCCC1 34a_100011216708_200000696569 [0,1,0,1,0,0|1,0,1]=4 25284 B14R1.2352 C#CCCCCCN1CCCCCC1 2230a_100000185865_100012094781 [0,1,0,1,0,0|1,0,1]=4 25285 B14R1.2352 C#CCCCCCN1CCCCCC1 269982a_100000185865_100012094781 [0,1,0,1,0,0|1,0,1]=4 25286 B14R1.2352 C#CCCCCCN1CCCCCC1 34a_100000185865_100012094781 [0,1,0,1,0,0|1,0,1]=4 25287 B14R1.2352 C#CCCCCNC1CCCCCC1 2230a_100000210984_100010269958 [0,1,0,1,0,0|1,0,1]=4 25288 B14R1.2352 C#CCCCCNC1CCCCCC1 34a_100000210984_100010269958 [0,1,0,1,0,0|1,0,1]=4 25289 B14R1.2352 C#CCCCCNC1CCCCCC1 34a_100000706060_100011217769 [0,1,0,1,0,0|1,0,1]=4 25290 B14R1.2352 C#CCCCCOC1CCCCCC1 34a_100000210887_100010269958 [0,1,0,1,0,0|1,0,1]=4 25291 B14R1.2352 C#CCCCCOC1CCCCCC1 34a_100000766709_100011217769 [0,1,0,1,0,0|1,0,1]=4 25292 B14R1.2352 C#CCCCCOC1CCCCCC1 7a_100000210887_100010269958 [0,1,0,1,0,0|1,0,1]=4 25293 B14R1.2352 C#CCCCCSC1CCCCCC1 62a_100010269958_100011217769 [0,1,0,1,0,0|1,0,1]=4 25294 B14R1.2352 C#CCCCCSC1CCCCCC1 62a_100011217769_100010269958 [0,1,0,1,0,0|1,0,1]=4 25295 B14R1.2352 C#CCCCNCC1CCCCCC1 2230a_100015204231_100000731252 [0,1,0,1,0,0|1,0,1]=4 25296 B14R1.2352 C#CCCCNCC1CCCCCC1 34a_100000718082_200000696569 [0,1,0,1,0,0|1,0,1]=4 25297 B14R1.2352 C#CCCCNCC1CCCCCC1 34a_100015204231_100000695029 [0,1,0,1,0,0|1,0,1]=4 25298 B14R1.2352 C#CCCCOCC1CCCCCC1 34a_100000215630_200000696569 [0,1,0,1,0,0|1,0,1]=4 25299 B14R1.2352 C#CCCCOCC1CCCCCC1 34a_100000699130_100000695029 [0,1,0,1,0,0|1,0,1]=4 25300 B14R1.2352 C#CCCCOCC1CCCCCC1 7a_100000215630_200000696569 [0,1,0,1,0,0|1,0,1]=4 25301 B14R1.2352 C#CCCCOCC1CCCCCC1 7a_100000699130_100011215417 [0,1,0,1,0,0|1,0,1]=4 25302 B14R1.2352 C#CCCCSCC1CCCCCC1 62a_100011215417_200000696569 [0,1,0,1,0,0|1,0,1]=4 25303 B14R1.2352 C#CCCCSCC1CCCCCC1 62a_200000696569_100011215417 [0,1,0,1,0,0|1,0,1]=4 25304 B14R1.2352 C#CCCNCCC1CCCCCC1 2230a_100011532351_100000688953 [0,1,0,1,0,0|1,0,1]=4 25305 B14R1.2352 C#CCCNCCC1CCCCCC1 34a_100011532351_100000688953 [0,1,0,1,0,0|1,0,1]=4 25306 B14R1.2352 C/C=C/CCOCC1CCCCCC1 34a_100016278192_200000696569 [0,1,0,1,0,0|1,0,1]=4 25307 B14R1.2352 C/C=C/CNCCC1CCCCCC1 34a_100011532351_100102629194 [0,1,0,1,0,0|1,0,1]=4 25308 B14R1.2352 C=CCCCCCN1CCCCCC1 2230a_100000185865_100000700193 [0,1,0,1,0,0|1,0,0]=3 25309 B14R1.2352 C=CCCCCCN1CCCCCC1 269982a_100000185865_100000700193 [0,1,0,1,0,0|1,0,0]=3 25310 B14R1.2352 C=CCCCCCN1CCCCCC1 34a_100000185865_100000700193 [0,1,0,1,0,0|1,0,0]=3 25311 B14R1.2352 C=CCCCCCN1CCCOCC1 2230a_100000685342_100000700193 [0,1,0,1,0,0|2,0,0]=4 25312 B14R1.2352 C=CCCCCCN1CCCOCC1 269982a_100000685342_100000700193 [0,1,0,1,0,0|2,0,0]=4 25313 B14R1.2352 C=CCCCCCN1CCCOCC1 34a_100000685342_100000700193 [0,1,0,1,0,0|2,0,0]=4 25314 B14R1.2352 C=CCCCCNC1CCCCCC1 2230a_100000210984_100011215482 [0,1,0,1,0,0|1,0,0]=3 25315 B14R1.2352 C=CCCCCNC1CCCCCC1 270004a_100000703577_100000210131 [0,1,0,1,0,0|1,0,0]=3 25316 B14R1.2352 C=CCCCCNC1CCCCCC1 34a_100000210984_100011215482 [0,1,0,1,0,0|1,0,0]=3 25317 B14R1.2352 C=CCCCCNC1CCCCCC1 34a_100000703577_100011217769 [0,1,0,1,0,0|1,0,0]=3 25318 B14R1.2352 C=CCCCCNC1CCCNCC1 270004a_100000703577_100015187895 [0,1,0,1,0,0|2,0,0]=4 25319 B14R1.2352 C=CCCCCOC1CCCCCC1 34a_100000210887_100011215482 [0,1,0,1,0,0|1,0,0]=3 25320 B14R1.2352 C=CCCCCOC1CCCCCC1 34a_100000766645_100011217769 [0,1,0,1,0,0|1,0,0]=3 25321 B14R1.2352 C=CCCCCOC1CCCCCC1 7a_100000210887_100011215482 [0,1,0,1,0,0|1,0,0]=3 25322 B14R1.2352 C=CCCCCSC1CCCCCC1 62a_100011215482_100011217769 [0,1,0,1,0,0|1,0,0]=3 25323 B14R1.2352 C=CCCCCSC1CCCCCC1 62a_100011217769_100011215482 [0,1,0,1,0,0|1,0,0]=3 25324 B14R1.2352 C=CCCCNCC1CCCCCC1 2230a_100000700776_200000696569 [0,1,0,1,0,0|1,0,0]=3 25325 B14R1.2352 C=CCCCNCC1CCCCCC1 2230a_100015204231_100011713584 [0,1,0,1,0,0|1,0,0]=3 25326 B14R1.2352 C=CCCCNCC1CCCCCC1 269862a_100000700776_200000763224 [0,1,0,1,0,0|1,0,0]=3 25327 B14R1.2352 C=CCCCNCC1CCCCCC1 34a_100000700776_200000696569 [0,1,0,1,0,0|1,0,0]=3 25328 B14R1.2352 C=CCCCNCC1CCCCCC1 34a_100015204231_100000757094 [0,1,0,1,0,0|1,0,0]=3 25329 B14R1.2352 C=CCCCOCC1CCCCCC1 34a_100000699130_100000757094 [0,1,0,1,0,0|1,0,0]=3 25330 B14R1.2352 C=CCCCOCC1CCCCCC1 34a_100000758997_200000696569 [0,1,0,1,0,0|1,0,0]=3 25331 B14R1.2352 C=CCCCOCC1CCCCCC1 7a_100000699130_100000757094 [0,1,0,1,0,0|1,0,0]=3 25332 B14R1.2352 C=CCCCOCC1CCCCCC1 7a_100000758997_200000696569 [0,1,0,1,0,0|1,0,0]=3 25333 B14R1.2352 C=CCCCSCC1CCCCCC1 62a_100011713584_200000696569 [0,1,0,1,0,0|1,0,0]=3 25334 B14R1.2352 C=CCCCSCC1CCCCCC1 62a_200000696569_100000757094 [0,1,0,1,0,0|1,0,0]=3 25335 B14R1.2352 C=CCCNCCC1CCCCCC1 2230a_100011532351_100000754431 [0,1,0,1,0,0|1,0,0]=3 25336 B14R1.2352 C=CCCNCCC1CCCCCC1 34a_100011532351_100000754431 [0,1,0,1,0,0|1,0,0]=3 25337 B14R1.2352 C=CCCOCCN1CCCCCC1 34a_100000238007_100000754431 [0,1,0,1,0,0|2,0,0]=4 25338 B14R1.2352 C=CCCSCCN1CCCCCC1 62a_100000722644_100000754431 [0,1,0,1,0,0|2,0,0]=4 25339 B14R1.2352 C=CCCSCCN1CCCCCC1 62a_100000754431_100000722644 [0,1,0,1,0,0|2,0,0]=4 25340 B14R1.2352 C=CCOCCCN1CCCCCC1 34a_100102886287_100015514636 [0,1,0,1,0,0|2,0,0]=4 25341 B14R1.2352 C=CCOCCCN1CCCCCC1 7a_100102886287_100015514636 [0,1,0,1,0,0|2,0,0]=4 25342 B14R1.2352 C=CCOCCOC1CCCCCC1 34a_100000037705_100011217769 [0,1,0,1,0,0|2,0,0]=4 25343 B14R1.2352 C=COCCCNC1CCCCCC1 270004a_100000210767_100000210131 [0,1,0,1,0,0|2,0,0]=4 25344 B14R1.2352 C=COCCCNC1CCCCCC1 34a_100000210767_100011217769 [0,1,0,1,0,0|2,0,0]=4 25345 B14R1.2352 C=COCCNCC1CCCCCC1 2230a_100015204231_100000039644 [0,1,0,1,0,0|2,0,0]=4 25346 B14R1.2352 C=COCCNCC1CCCCCC1 34a_100015204231_100000039644 [0,1,0,1,0,0|2,0,0]=4 25347 B14R1.2352 C=COCCOCC1CCCCCC1 34a_100000033082_200000696569 [0,1,0,1,0,0|2,0,0]=4 25348 B14R1.2352 C=COCCOCC1CCCCCC1 34a_100000699130_100000039644 [0,1,0,1,0,0|2,0,0]=4 25349 B14R1.2352 C=COCCOCC1CCCCCC1 7a_100000699130_100000039644 [0,1,0,1,0,0|2,0,0]=4 25350 B14R1.2352 C=COCCSCC1CCCCCC1 62a_100000039644_200000696569 [0,1,0,1,0,0|2,0,0]=4 25351 B14R1.2352 C=COCCSCC1CCCCCC1 62a_200000696569_100000039644 [0,1,0,1,0,0|2,0,0]=4 25352 B14R1.2352 CC=CCCCOC1CCCCCC1 34a_100020645299_100011217769 [0,1,0,1,0,0|1,0,1]=4 25353 B14R1.2352 CC=CCNCCC1CCCCCC1 2230a_100011532351_100000070051 [0,1,0,1,0,0|1,0,1]=4 25354 B14R1.2352 CC=CCNCCC1CCCCCC1 34a_100011532351_100000070051 [0,1,0,1,0,0|1,0,1]=4 25355 B14R1.2352 CCCCCCCN1CCCCCC1 2230a_100000185865_100000210681 [0,1,0,1,0,0|1,0,1]=4 25356 B14R1.2352 CCCCCCCN1CCCCCC1 269982a_100000185865_100000210681 [0,1,0,1,0,0|1,0,1]=4 25357 B14R1.2352 CCCCCCCN1CCCCCC1 34a_100000185865_100000210614 [0,1,0,1,0,0|1,0,1]=4 25358 B14R1.2352 CCCCCCNC1CCCCCC1 2230a_100000210984_100000210314 [0,1,0,1,0,0|1,0,1]=4 25359 B14R1.2352 CCCCCCNC1CCCCCC1 270004a_100000210581_100000210131 [0,1,0,1,0,0|1,0,1]=4 25360 B14R1.2352 CCCCCCNC1CCCCCC1 34a_100000210984_100000210314 [0,1,0,1,0,0|1,0,1]=4 25361 B14R1.2352 CCCCCCOC1CCCCCC1 34a_100000210259_100011217769 [0,1,0,1,0,0|1,0,1]=4 25362 B14R1.2352 CCCCCCOC1CCCCCC1 34a_100000210887_100000210314 [0,1,0,1,0,0|1,0,1]=4 25363 B14R1.2352 CCCCCCOC1CCCCCC1 7a_100000210887_100000210314 [0,1,0,1,0,0|1,0,1]=4 25364 B14R1.2352 CCCCCCSC1CCCCCC1 62a_100000210314_100011217769 [0,1,0,1,0,0|1,0,1]=4 25365 B14R1.2352 CCCCCCSC1CCCCCC1 62a_100011217769_100000210757 [0,1,0,1,0,0|1,0,1]=4 25366 B14R1.2352 CCCCCNCC1CCCCCC1 2230a_100000209983_200000696569 [0,1,0,1,0,0|1,0,1]=4 25367 B14R1.2352 CCCCCNCC1CCCCCC1 2230a_100015204231_100000210326 [0,1,0,1,0,0|1,0,1]=4 25368 B14R1.2352 CCCCCNCC1CCCCCC1 269862a_100000209983_200000763224 [0,1,0,1,0,0|1,0,1]=4 25369 B14R1.2352 CCCCCNCC1CCCCCC1 34a_100015204231_100000718602 [0,1,0,1,0,0|1,0,1]=4 25370 B14R1.2352 CCCCCOCC1CCCCCC1 34a_100000210253_200000696569 [0,1,0,1,0,0|1,0,1]=4 25371 B14R1.2352 CCCCCOCC1CCCCCC1 34a_100000699130_100000718602 [0,1,0,1,0,0|1,0,1]=4 25372 B14R1.2352 CCCCCOCC1CCCCCC1 7a_100000210253_200000696569 [0,1,0,1,0,0|1,0,1]=4 25373 B14R1.2352 CCCCCOCC1CCCCCC1 7a_100000699130_100000210326 [0,1,0,1,0,0|1,0,1]=4 25374 B14R1.2352 CCCCCSCC1CCCCCC1 62a_100000210326_200000696569 [0,1,0,1,0,0|1,0,1]=4 25375 B14R1.2352 CCCCCSCC1CCCCCC1 62a_200000696569_100000210326 [0,1,0,1,0,0|1,0,1]=4 25376 B14R1.2352 CCCCNCCC1CCCCCC1 2230a_100011532351_100000210211 [0,1,0,1,0,0|1,0,1]=4 25377 B14R1.2352 CCCCNCCC1CCCCCC1 34a_100011532351_100000210210 [0,1,0,1,0,0|1,0,1]=4 25378 B14R1.2352 CNCCCOCC1CCCCCC1 34a_100000213112_200000696569 [0,1,0,1,0,0|2,0,0]=4 25379 B14R1.2352 COCCCCNC1CCCCCC1 2230a_100000210984_100000730899 [0,1,0,1,0,0|2,0,0]=4 25380 B14R1.2352 COCCCCNC1CCCCCC1 34a_100000210984_100000755781 [0,1,0,1,0,0|2,0,0]=4 25381 B14R1.2352 COCCCCOC1CCCCCC1 34a_100000210887_100000755781 [0,1,0,1,0,0|2,0,0]=4 25382 B14R1.2352 COCCCCOC1CCCCCC1 34a_100000740925_100011217769 [0,1,0,1,0,0|2,0,0]=4 25383 B14R1.2352 COCCCCOC1CCCCCC1 7a_100000210887_100000730899 [0,1,0,1,0,0|2,0,0]=4 25384 B14R1.2352 COCCCCSC1CCCCCC1 62a_100000730899_100011217769 [0,1,0,1,0,0|2,0,0]=4 25385 B14R1.2352 COCCCCSC1CCCCCC1 62a_100011217769_100000730899 [0,1,0,1,0,0|2,0,0]=4 25386 B14R1.2352 COCCCNCC1CCCCCC1 2230a_100015204231_100000740836 [0,1,0,1,0,0|2,0,0]=4 25387 B14R1.2352 COCCCNCC1CCCCCC1 269862a_100150723488_200000763224 [0,1,0,1,0,0|2,0,0]=4 25388 B14R1.2352 COCCCNCC1CCCCCC1 34a_100015204231_100000740836 [0,1,0,1,0,0|2,0,0]=4 25389 B14R1.2352 COCCCNCC1CCCCCC1 34a_100150723488_200000696569 [0,1,0,1,0,0|2,0,0]=4 25390 B14R1.2352 COCCCOCC1CCCCCC1 34a_100000699130_100000740836 [0,1,0,1,0,0|2,0,0]=4 25391 B14R1.2352 COCCCOCC1CCCCCC1 34a_100000740835_200000696569 [0,1,0,1,0,0|2,0,0]=4 25392 B14R1.2352 COCCCOCC1CCCCCC1 7a_100000699130_100000740836 [0,1,0,1,0,0|2,0,0]=4 25393 B14R1.2352 COCCCSCC1CCCCCC1 62a_100000709357_200000696569 [0,1,0,1,0,0|2,0,0]=4 25394 B14R1.2352 COCCCSCC1CCCCCC1 62a_200000696569_100000709357 [0,1,0,1,0,0|2,0,0]=4 25395 B14R1.2352 COCCNCCC1CCCCCC1 2230a_100011532351_100011201679 [0,1,0,1,0,0|2,0,0]=4 25396 B14R1.2352 COCCNCCC1CCCCCC1 34a_100011532351_100011201679 [0,1,0,1,0,0|2,0,0]=4 25397 B14R1.2352 CSCCCCOC1CCCCCC1 34a_100011217163_100011217769 [0,1,0,1,0,0|2,0,0]=4 25398 B14R1.2352 CSCCCNCC1CCCCCC1 2230a_100000749238_200000696569 [0,1,0,1,0,0|2,0,0]=4 25399 B14R1.2352 CSCCCNCC1CCCCCC1 269862a_100000749238_200000763224 [0,1,0,1,0,0|2,0,0]=4 25400 B14R1.2352 CSCCCOCC1CCCCCC1 34a_100000690336_200000696569 [0,1,0,1,0,0|2,0,0]=4 25401 B14R1.2352 CSCCCOCC1CCCCCC1 7a_100000690336_200000696569 [0,1,0,1,0,0|2,0,0]=4 25402 B14R1.2352 CSCCNCCC1CCCCCC1 2230a_100011532351_100000751147 [0,1,0,1,0,0|2,0,0]=4 25403 B14R1.2352 CSCCNCCC1CCCCCC1 34a_100011532351_100000212216 [0,1,0,1,0,0|2,0,0]=4 25404 B14R1.2352 ClCCCCCOC1CCCCCC1 34a_100000746330_100011217769 [0,1,0,1,0,0|1,0,1]=4 25405 B14R1.2352 ClCCCCOCC1CCCCCC1 34a_100000210776_200000696569 [0,1,0,1,0,0|1,0,1]=4 25406 B14R1.2352 ClCCCCOCC1CCCCCC1 7a_100000210776_200000696569 [0,1,0,1,0,0|1,0,1]=4 25407 B14R1.2352 FCCCCCCN1CCCCCC1 2230a_100000185865_100015922095 [0,1,0,1,0,0|1,0,1]=4 25408 B14R1.2352 FCCCCCCN1CCCCCC1 269982a_100000185865_100015922095 [0,1,0,1,0,0|1,0,1]=4 25409 B14R1.2352 FCCCCCCN1CCCCCC1 34a_100000185865_100015922095 [0,1,0,1,0,0|1,0,1]=4 25410 B14R1.2352 FCCCCCNC1CCCCCC1 2230a_100000210984_100000729378 [0,1,0,1,0,0|1,0,1]=4 25411 B14R1.2352 FCCCCCNC1CCCCCC1 34a_100000210984_100000729378 [0,1,0,1,0,0|1,0,1]=4 25412 B14R1.2352 FCCCCCOC1CCCCCC1 34a_100000210887_100000729378 [0,1,0,1,0,0|1,0,1]=4 25413 B14R1.2352 FCCCCCOC1CCCCCC1 7a_100000210887_100000729378 [0,1,0,1,0,0|1,0,1]=4 25414 B14R1.2352 FCCCCCSC1CCCCCC1 62a_100000729378_100011217769 [0,1,0,1,0,0|1,0,1]=4 25415 B14R1.2352 FCCCCCSC1CCCCCC1 62a_100011217769_100000729378 [0,1,0,1,0,0|1,0,1]=4 25416 B14R1.2352 FCCCCNCC1CCCCCC1 2230a_100015204231_100000729493 [0,1,0,1,0,0|1,0,1]=4 25417 B14R1.2352 FCCCCNCC1CCCCCC1 34a_100015204231_100000729493 [0,1,0,1,0,0|1,0,1]=4 25418 B14R1.2352 FCCCCOCC1CCCCCC1 34a_100000699130_100000729493 [0,1,0,1,0,0|1,0,1]=4 25419 B14R1.2352 FCCCCOCC1CCCCCC1 34a_100011995726_200000696569 [0,1,0,1,0,0|1,0,1]=4 25420 B14R1.2352 FCCCCOCC1CCCCCC1 7a_100000699130_100000729493 [0,1,0,1,0,0|1,0,1]=4 25421 B14R1.2352 FCCCCOCC1CCCCCC1 7a_100011995726_200000696569 [0,1,0,1,0,0|1,0,1]=4 25422 B14R1.2352 FCCCCSCC1CCCCCC1 62a_100000729493_200000696569 [0,1,0,1,0,0|1,0,1]=4 25423 B14R1.2352 FCCCCSCC1CCCCCC1 62a_200000696569_100000729493 [0,1,0,1,0,0|1,0,1]=4 25424 B14R1.2352 FCCCNCCC1CCCCCC1 2230a_100011532351_100011934791 [0,1,0,1,0,0|1,0,1]=4 25425 B14R1.2352 FCCCNCCC1CCCCCC1 34a_100011532351_100011934791 [0,1,0,1,0,0|1,0,1]=4 25426 B14R1.2352 ICCCCCOC1CCCCCC1 34a_200012148887_100011217769 [0,1,0,1,0,0|1,0,1]=4 25427 B14R1.2352 ICCCCOCC1CCCCCC1 34a_200012148704_200000696569 [0,1,0,1,0,0|1,0,1]=4 25428 B14R1.2352 N#CCCCCCN1CCCCCC1 2230a_100000185865_100009813376 [0,1,0,1,0,0|1,0,1]=4 25429 B14R1.2352 N#CCCCCCN1CCCCCC1 269982a_100000185865_100009813376 [0,1,0,1,0,0|1,0,1]=4 25430 B14R1.2352 N#CCCCCNC1CCCCCC1 2230a_100000210984_100000211819 [0,1,0,1,0,0|1,0,1]=4 25431 B14R1.2352 N#CCCCCNC1CCCCCC1 270004a_100000751965_100000210131 [0,1,0,1,0,0|1,0,1]=4 25432 B14R1.2352 N#CCCCCOC1CCCCCC1 7a_100000210887_100000211819 [0,1,0,1,0,0|1,0,1]=4 25433 B14R1.2352 N#CCCCCSC1CCCCCC1 62a_100011217769_100000211819 [0,1,0,1,0,0|1,0,1]=4 25434 B14R1.2352 N#CCCCCSC1CCCCCC1 62a_100011219923_100011217769 [0,1,0,1,0,0|1,0,1]=4 25435 B14R1.2352 N#CCCCNCC1CCCCCC1 2230a_100015204231_100000687738 [0,1,0,1,0,0|1,0,1]=4 25436 B14R1.2352 N#CCCCOCC1CCCCCC1 7a_100000699130_100000687738 [0,1,0,1,0,0|1,0,1]=4 25437 B14R1.2352 N#CCCCSCC1CCCCCC1 62a_100000687738_200000696569 [0,1,0,1,0,0|1,0,1]=4 25438 B14R1.2352 N#CCCCSCC1CCCCCC1 62a_200000696569_100000687738 [0,1,0,1,0,0|1,0,1]=4 25439 B14R1.2352 N#CCCNCCC1CCCCCC1 2230a_100011532351_100011215226 [0,1,0,1,0,0|1,0,1]=4 25440 B14R1.2352 NCCCCCOC1CCCCCC1 34a_100000762737_100011217769 [0,1,0,1,0,0|1,0,1]=4 25441 B14R1.2352 NCCCCOCC1CCCCCC1 34a_100000750430_200000696569 [0,1,0,1,0,0|1,0,1]=4 25442 B14R1.2352 O=CCCCCCN1CCCCCC1 2230a_100000185865_100000139337 [0,1,0,1,0,0|0,0,0]=2 25443 B14R1.2352 O=CCCCCCN1CCCCCC1 269982a_100000185865_100000139337 [0,1,0,1,0,0|0,0,0]=2 25444 B14R1.2352 O=CCCCCCN1CCCOCC1 2230a_100000685342_100000139337 [0,1,0,1,0,0|1,0,0]=3 25445 B14R1.2352 O=CCCCCCN1CCCOCC1 269982a_100000685342_100000139337 [0,1,0,1,0,0|1,0,0]=3 25446 B14R1.2352 O=CCCCCNC1CCCCCC1 2230a_100000210984_100000139335 [0,1,0,1,0,0|0,0,0]=2 25447 B14R1.2352 O=CCCCCOC1CCCCCC1 7a_100000210887_100000139335 [0,1,0,1,0,0|0,0,0]=2 25448 B14R1.2352 O=CCCCCSC1CCCCCC1 62a_100000139335_100011217769 [0,1,0,1,0,0|0,0,0]=2 25449 B14R1.2352 O=CCCCCSC1CCCCCC1 62a_100011217769_100000139335 [0,1,0,1,0,0|0,0,0]=2 25450 B14R1.2352 O=CCCCNCC1CCCCCC1 2230a_100015204231_200011292268 [0,1,0,1,0,0|0,0,0]=2 25451 B14R1.2352 O=CCCCOCC1CCCCCC1 7a_100000699130_200011292268 [0,1,0,1,0,0|0,0,0]=2 25452 B14R1.2352 O=CCCCSCC1CCCCCC1 62a_200000696569_200011292268 [0,1,0,1,0,0|0,0,0]=2 25453 B14R1.2352 O=CCCCSCC1CCCCCC1 62a_200011292268_200000696569 [0,1,0,1,0,0|0,0,0]=2 25454 B14R1.2352 O=CCOCCCN1CCCCCC1 34a_100102886287_200009817547 [0,1,0,1,0,0|1,0,0]=3 25455 B14R1.2352 O=CCOCCCN1CCCCCC1 7a_100102886287_200015260668 [0,1,0,1,0,0|1,0,0]=3 25456 B14R1.2352 OCCCCCCN1CCCCCC1 2230a_100000185865_100000766143 [0,1,0,1,0,0|0,0,2]=4 25457 B14R1.2352 OCCCCCCN1CCCCCC1 269982a_100000185865_100000766143 [0,1,0,1,0,0|0,0,2]=4 25458 B14R1.2352 OCCCCCCN1CCCCCC1 34a_100000185865_100000766143 [0,1,0,1,0,0|0,0,2]=4 25459 B14R1.2352 OCCCCCNC1CCCCCC1 2230a_100000210984_100000746330 [0,1,0,1,0,0|0,0,2]=4 25460 B14R1.2352 OCCCCCNC1CCCCCC1 270004a_100000762737_100000210131 [0,1,0,1,0,0|0,0,2]=4 25461 B14R1.2352 OCCCCCNC1CCCCCC1 34a_100000210984_100000746330 [0,1,0,1,0,0|0,0,2]=4 25462 B14R1.2352 OCCCCCNC1CCCCCC1 34a_100000762737_100011217769 [0,1,0,1,0,0|0,0,2]=4 25463 B14R1.2352 OCCCCCOC1CCCCCC1 34a_100000210887_100000746330 [0,1,0,1,0,0|0,0,2]=4 25464 B14R1.2352 OCCCCCOC1CCCCCC1 7a_100000210887_100000746330 [0,1,0,1,0,0|0,0,2]=4 25465 B14R1.2352 OCCCCCSC1CCCCCC1 62a_100000746330_100011217769 [0,1,0,1,0,0|0,0,2]=4 25466 B14R1.2352 OCCCCCSC1CCCCCC1 62a_100011217769_100000746330 [0,1,0,1,0,0|0,0,2]=4 25467 B14R1.2352 OCCCCNCC1CCCCCC1 2230a_100000750430_200000696569 [0,1,0,1,0,0|0,0,2]=4 25468 B14R1.2352 OCCCCNCC1CCCCCC1 2230a_100015204231_100000210776 [0,1,0,1,0,0|0,0,2]=4 25469 B14R1.2352 OCCCCNCC1CCCCCC1 269862a_100000750430_200000763224 [0,1,0,1,0,0|0,0,2]=4 25470 B14R1.2352 OCCCCNCC1CCCCCC1 34a_100000750430_200000696569 [0,1,0,1,0,0|0,0,2]=4 25471 B14R1.2352 OCCCCNCC1CCCCCC1 34a_100015204231_100011216708 [0,1,0,1,0,0|0,0,2]=4 25472 B14R1.2352 OCCCCOCC1CCCCCC1 34a_100000699130_100011216708 [0,1,0,1,0,0|0,0,2]=4 25473 B14R1.2352 OCCCCOCC1CCCCCC1 7a_100000699130_100000210776 [0,1,0,1,0,0|0,0,2]=4 25474 B14R1.2352 OCCCCSCC1CCCCCC1 62a_100000210776_200000696569 [0,1,0,1,0,0|0,0,2]=4 25475 B14R1.2352 OCCCCSCC1CCCCCC1 62a_200000696569_100000210776 [0,1,0,1,0,0|0,0,2]=4 25476 B14R1.2352 OCCCNCCC1CCCCCC1 2230a_100011532351_100000230001 [0,1,0,1,0,0|0,0,2]=4 25477 B14R1.2352 OCCCNCCC1CCCCCC1 34a_100011532351_100000230001 [0,1,0,1,0,0|0,0,2]=4 25478 B14R1.3128 C=CCCCCCN1CCC1COC 2230a_100015195929_100000700193 [0,1,0,1,0,0|2,0,0]=4 25479 B14R1.3128 C=CCCCCCN1CCC1COC 269982a_100015195929_100000700193 [0,1,0,1,0,0|2,0,0]=4 25480 B14R1.3128 C=CCCCCCN1CCC1COC 34a_100015195929_100000700193 [0,1,0,1,0,0|2,0,0]=4 25481 B14R1.3128 CCCCCCCN1CCC1COC 2230a_100015195929_100000210681 [0,1,0,1,0,0|2,0,0]=4 25482 B14R1.3128 CCCCCCCN1CCC1COC 269982a_100015195929_100000210681 [0,1,0,1,0,0|2,0,0]=4 25483 B14R1.3128 CCCCCCCN1CCC1COC 34a_100015195929_100000210614 [0,1,0,1,0,0|2,0,0]=4 25484 B14R1.3128 COCC1CCN1CCCCCC=O 2230a_100015195929_100000139337 [0,1,0,1,0,0|1,0,0]=3 25485 B14R1.3128 COCC1CCN1CCCCCC=O 269982a_100015195929_100000139337 [0,1,0,1,0,0|1,0,0]=3 25486 B14R1.6533 C#CCCCN1CCCCCCCC1 2230a_100000039187_100000731252 [0,1,0,1,0,0|1,0,1]=4 25487 B14R1.6533 C#CCCCN1CCCCCCCC1 269982a_100000039187_100011215417 [0,1,0,1,0,0|1,0,1]=4 25488 B14R1.6533 C#CCCCN1CCCCCCCC1 34a_100000039187_100000695029 [0,1,0,1,0,0|1,0,1]=4 25489 B14R1.6533 C=CCCCN1CCCCCCCC1 2230a_100000039187_100011713584 [0,1,0,1,0,0|1,0,0]=3 25490 B14R1.6533 C=CCCCN1CCCCCCCC1 269982a_100000039187_100000757094 [0,1,0,1,0,0|1,0,0]=3 25491 B14R1.6533 C=CCCCN1CCCCCCCC1 34a_100000039187_100000757094 [0,1,0,1,0,0|1,0,0]=3 25492 B14R1.6533 C=CCCNC1CCCCCCCC1 270004a_100015191253_100000038600 [0,1,0,1,0,0|1,0,0]=3 25493 B14R1.6533 C=COCCN1CCCCCCCC1 2230a_100000039187_100000039644 [0,1,0,1,0,0|2,0,0]=4 25494 B14R1.6533 C=COCCN1CCCCCCCC1 269982a_100000039187_100000039644 [0,1,0,1,0,0|2,0,0]=4 25495 B14R1.6533 C=COCCN1CCCCCCCC1 34a_100000039187_100000039644 [0,1,0,1,0,0|2,0,0]=4 25496 B14R1.6533 CCCCCN1CCCCCCCC1 2230a_100000039187_100000210326 [0,1,0,1,0,0|1,0,1]=4 25497 B14R1.6533 CCCCCN1CCCCCCCC1 269982a_100000039187_100000210215 [0,1,0,1,0,0|1,0,1]=4 25498 B14R1.6533 CCCCCN1CCCCCCCC1 34a_100000039187_100000718602 [0,1,0,1,0,0|1,0,1]=4 25499 B14R1.6533 CCCCNC1CCCCCCCC1 270004a_100000102301_100000038600 [0,1,0,1,0,0|1,0,1]=4 25500 B14R1.6533 COCCCN1CCCCCCCC1 2230a_100000039187_100000740836 [0,1,0,1,0,0|2,0,0]=4 25501 B14R1.6533 COCCCN1CCCCCCCC1 269982a_100000039187_100000740836 [0,1,0,1,0,0|2,0,0]=4 25502 B14R1.6533 COCCCN1CCCCCCCC1 34a_100000039187_100000740836 [0,1,0,1,0,0|2,0,0]=4 25503 B14R1.6533 COCCNC1CCCCCCCC1 270004a_100000209980_100000038600 [0,1,0,1,0,0|2,0,0]=4 25504 B14R1.6533 CSCCNC1CCCCCCCC1 270004a_100020590264_100000038600 [0,1,0,1,0,0|2,0,0]=4 25505 B14R1.6533 FCCCCN1CCCCCCCC1 2230a_100000039187_100000729493 [0,1,0,1,0,0|1,0,1]=4 25506 B14R1.6533 FCCCCN1CCCCCCCC1 269982a_100000039187_100000729493 [0,1,0,1,0,0|1,0,1]=4 25507 B14R1.6533 FCCCCN1CCCCCCCC1 34a_100000039187_100000729493 [0,1,0,1,0,0|1,0,1]=4 25508 B14R1.6533 FCCCNC1CCCCCCCC1 270004a_100015189416_100000038600 [0,1,0,1,0,0|1,0,1]=4 25509 B14R1.6533 N#CCCCN1CCCCCCCC1 2230a_100000039187_100000687738 [0,1,0,1,0,0|1,0,1]=4 25510 B14R1.6533 N#CCCCN1CCCCCCCC1 269982a_100000039187_100000687738 [0,1,0,1,0,0|1,0,1]=4 25511 B14R1.6533 N#CCCNC1CCCCCCCC1 270004a_100000720768_100000038600 [0,1,0,1,0,0|1,0,1]=4 25512 B14R1.6533 O=CCCCN1CCCCCCCC1 2230a_100000039187_200011292268 [0,1,0,1,0,0|0,0,0]=2 25513 B14R1.6533 O=CCCCN1CCCCCCCC1 269982a_100000039187_200011292268 [0,1,0,1,0,0|0,0,0]=2 25514 B14R1.6533 OCCCCN1CCCCCCCC1 2230a_100000039187_100000210776 [0,1,0,1,0,0|0,0,2]=4 25515 B14R1.6533 OCCCCN1CCCCCCCC1 269982a_100000039187_100000210776 [0,1,0,1,0,0|0,0,2]=4 25516 B14R1.6533 OCCCCN1CCCCCCCC1 34a_100000039187_100011216708 [0,1,0,1,0,0|0,0,2]=4 25517 B14R1.6533 OCCCNC1CCCCCCCC1 270004a_100000182051_100000038600 [0,1,0,1,0,0|0,0,2]=4 25518 B14R1.86 C=CCCCC(=O)CCC1CCCC1 1458a_100000211120_100000757094 [0,1,0,1,0,0|1,0,1]=4 25519 B14R1.86 C=CCCCC(=O)CCC1CCCC1 1458a_100000766728_100000760354 [0,1,0,1,0,0|1,0,1]=4 25520 B14R1.86 CN(CCCC=O)CCN1CCCC1 2230a_100000225677_200011292268 [0,1,0,1,0,0|2,0,0]=4 25521 B14R1.86 CN(CCCC=O)CCN1CCCC1 269982a_100000225677_200011292268 [0,1,0,1,0,0|2,0,0]=4 25522 B14R1.158 C=CCCCC(=O)CC1CCCCC1 1458a_100000211666_100000757094 [0,1,0,1,0,0|1,0,1]=4 25523 B14R1.158 C=CCCCC(=O)CC1CCCCC1 1458a_100000766728_100000211423 [0,1,0,1,0,0|1,0,1]=4 25524 B14R1.158 C=CCCCN(C)CC1CCCCC1 2230a_100000736448_100011713584 [0,1,0,1,0,0|2,0,0]=4 25525 B14R1.158 C=CCCCN(C)CC1CCCCC1 269982a_100000736448_100000757094 [0,1,0,1,0,0|2,0,0]=4 25526 B14R1.158 C=CCCCN(C)CC1CCCCC1 34a_100000736448_100000757094 [0,1,0,1,0,0|2,0,0]=4 25527 B14R1.158 C=CCCNC(C)CC1CCCCC1 270004a_100015191253_100011215996 [0,1,0,1,0,0|2,0,0]=4 25528 B14R1.158 C=CCOC[C@@H](N)CC1CCCCC1 34a_100015184289_100015514636 [0,1,0,1,0,0|2,0,0]=4 25529 B14R1.158 CC(COCC=O)CN1CCCCC1 34a_200011934647_200009817547 [0,1,0,1,0,0|2,0,0]=4 25530 B14R1.158 CCCCCC(C)NC1C=CCCC1 2230a_100000211957_100000751183 [0,1,0,1,0,0|2,0,0]=4 25531 B14R1.158 CCCCCC(C)OC1C=CCCC1 34a_100011215024_200011218191 [0,1,0,1,0,0|2,0,0]=4 25532 B14R1.158 CCCCCC(C)OC1C=CCCC1 7a_100011215632_100000751183 [0,1,0,1,0,0|2,0,0]=4 25533 B14R1.158 CCCCCC(C)SC1C=CCCC1 62a_100000751183_200011218191 [0,1,0,1,0,0|2,0,0]=4 25534 B14R1.158 CCCCCC(C)SC1C=CCCC1 62a_200011218191_100000751183 [0,1,0,1,0,0|2,0,0]=4 25535 B14R1.158 CN(CCCC=O)CC1CCCCC1 2230a_100000736448_200011292268 [0,1,0,1,0,0|1,0,0]=3 25536 B14R1.158 CN(CCCC=O)CC1CCCCC1 269982a_100000736448_200011292268 [0,1,0,1,0,0|1,0,0]=3 25537 B14R1.158 CN(CCCC=O)CC1CCCCO1 2230a_100000225654_200011292268 [0,1,0,1,0,0|2,0,0]=4 25538 B14R1.158 CN(CCCC=O)CC1CCCCO1 269982a_100000225654_200011292268 [0,1,0,1,0,0|2,0,0]=4 25539 B14R1.158 CN(CCCC=O)CC1CCOCC1 2230a_100025706683_200011292268 [0,1,0,1,0,0|2,0,0]=4 25540 B14R1.158 CN(CCCC=O)CC1CCOCC1 269982a_100025706683_200011292268 [0,1,0,1,0,0|2,0,0]=4 25541 B14R1.158 CN(CCCC=O)CC1CCSCC1 2230a_100011935259_200011292268 [0,1,0,1,0,0|2,0,0]=4 25542 B14R1.158 CN(CCCC=O)CC1CCSCC1 269982a_100011935259_200011292268 [0,1,0,1,0,0|2,0,0]=4 25543 B14R1.158 N[C@H](COCC=O)CC1CCCCC1 34a_100015184289_200009817547 [0,1,0,1,0,0|1,0,0]=3 25544 B14R1.158 O=CCNC[C@H](O)CN1CCCCC1 2230a_100015205997_200015260668 [0,1,0,1,0,0|2,0,0]=4 25545 B14R1.169 C=CCCCCCC(=O)C1CCCC1 1458a_100000210718_100000700193 [0,1,0,1,0,0|1,0,1]=4 25546 B14R1.169 C=CCCCCCC(=O)C1CCCC1 1458a_100011934241_100000179811 [0,1,0,1,0,0|1,0,1]=4 25547 B14R1.169 C=CCCCCCN(C)C1CCCC1 2230a_100000207505_100000700193 [0,1,0,1,0,0|2,0,0]=4 25548 B14R1.169 C=CCCCCCN(C)C1CCCC1 269982a_100000207505_100000700193 [0,1,0,1,0,0|2,0,0]=4 25549 B14R1.169 C=CCCCCCN(C)C1CCCC1 34a_100000207505_100000700193 [0,1,0,1,0,0|2,0,0]=4 25550 B14R1.169 C=CCCCCNC(C)C1CCCC1 2230a_100015185923_100011215482 [0,1,0,1,0,0|2,0,0]=4 25551 B14R1.169 C=CCCCCNC(C)C1CCCC1 269862a_100000703577_100000749594 [0,1,0,1,0,0|2,0,0]=4 25552 B14R1.169 C=CCCCCNC(C)C1CCCC1 270004a_100000703577_100000749594 [0,1,0,1,0,0|2,0,0]=4 25553 B14R1.169 C=CCCCCNC(C)C1CCCC1 34a_100015185923_100011215482 [0,1,0,1,0,0|2,0,0]=4 25554 B14R1.169 C=CCCCCOC(C)C1CCCC1 34a_100011216366_100011215482 [0,1,0,1,0,0|2,0,0]=4 25555 B14R1.169 C=CCCCCOC(C)C1CCCC1 7a_100011216366_100011215482 [0,1,0,1,0,0|2,0,0]=4 25556 B14R1.169 CC(CSCCCC=O)N1CCCC1 62a_200011292268_200015187269 [0,1,0,1,0,0|2,0,0]=4 25557 B14R1.169 CC(CSCCCC=O)N1CCCC1 62a_200015187269_200011292268 [0,1,0,1,0,0|2,0,0]=4 25558 B14R1.169 CC(NCCCCC=O)C1CCCC1 2230a_100015185923_100000139335 [0,1,0,1,0,0|1,0,0]=3 25559 B14R1.169 CC(NCCCCC=O)C1CCCO1 2230a_100025754208_100000139335 [0,1,0,1,0,0|2,0,0]=4 25560 B14R1.169 CC(OCCCCC=O)C1CCCC1 7a_100011216366_100000139335 [0,1,0,1,0,0|1,0,0]=3 25561 B14R1.169 CN(CCCCCC=O)C1CCCC1 2230a_100000207505_100000139337 [0,1,0,1,0,0|1,0,0]=3 25562 B14R1.169 CN(CCCCCC=O)C1CCCC1 269982a_100000207505_100000139337 [0,1,0,1,0,0|1,0,0]=3 25563 B14R1.169 CN(CCCCCC=O)C1CCOC1 2230a_100016988252_100000139337 [0,1,0,1,0,0|2,0,0]=4 25564 B14R1.169 CN(CCCCCC=O)C1CCOC1 269982a_100016988252_100000139337 [0,1,0,1,0,0|2,0,0]=4 25565 B14R1.1035 C=CCCCC(=O)C1CCCCC1C 1458a_100011215568_100000757094 [0,1,0,1,0,0|1,0,1]=4 25566 B14R1.1035 CC1CCCCN1C(C)COCC=O 34a_200011934825_200009817547 [0,1,0,1,0,0|2,0,0]=4 25567 B14R1.1035 CC1CCCCN1C(C)COCC=O 7a_200011934825_200015260668 [0,1,0,1,0,0|2,0,0]=4 25568 B14R1.1035 CCCCCC(=O)C1CCCCC1=O 1458a_100000212188_100000204591 [0,1,0,1,0,0|0,0,1]=3 25569 B14R1.1035 CCCCCC(=O)C1CCCNC1=O 1458a_100000087122_100000210326 [0,1,0,1,0,0|1,0,1]=4 25570 B14R1.1035 CCCCCC(=O)C1CCCNC1=O 1458a_100000212188_100000687798 [0,1,0,1,0,0|1,0,1]=4 25571 B14R1.1035 CCCCCC(=O)C1COCCC1=O 1458a_100000212188_100012180262 [0,1,0,1,0,0|1,0,1]=4 25572 B14R1.1035 CCCCCN(C)C1CCCCC1=O 269982a_100000223495_100000204591 [0,1,0,1,0,0|1,0,0]=3 25573 B14R1.1035 CCCCCN(C)C1CCCNC1=O 2230a_100000223495_100000687798 [0,1,0,1,0,0|2,0,0]=4 25574 B14R1.1035 CCCCCN(C)C1CCCNC1=O 269982a_100000223495_100000687798 [0,1,0,1,0,0|2,0,0]=4 25575 B14R1.1035 CCCOCC(=O)C1CCCCC1=O 1458a_100000745993_100000204591 [0,1,0,1,0,0|1,0,1]=4 25576 B14R1.1035 CCCSCC(=O)C1CCCCC1=O 1458a_100000217233_100000204591 [0,1,0,1,0,0|1,0,1]=4 25577 B14R1.1035 CCOCCC(=O)C1CCCCC1=O 1458a_100000749530_100000204591 [0,1,0,1,0,0|1,0,1]=4 25578 B14R1.1035 CCSCCC(=O)C1CCCCC1=O 1458a_100000230768_100000204591 [0,1,0,1,0,0|1,0,1]=4 25579 B14R1.1035 CN(CCCC=O)[C@@H]1CCCC[C@H]1O 269982a_100000708425_200011292268 [0,1,0,1,0,0|2,0,0]=4 25580 B14R1.1035 CN(CCCCO)C1CCCCC1=O 269982a_100000717598_100000204591 [0,1,0,1,0,0|2,0,0]=4 25581 B14R1.1035 COCCCC(=O)C1CCCCC1=O 1458a_100000741012_100000204591 [0,1,0,1,0,0|1,0,1]=4 25582 B14R1.1035 COCCCN(C)C1CCCCC1=O 269982a_100000224831_100000204591 [0,1,0,1,0,0|2,0,0]=4 25583 B14R1.1035 CSCCCC(=O)C1CCCCC1=O 1458a_100000173376_100000204591 [0,1,0,1,0,0|1,0,1]=4 25584 B14R1.1035 O=C(CCCCO)C1CCCCC1=O 1458a_100000695505_100000204591 [0,1,0,1,0,0|1,0,1]=4 25585 B14R1.1038 CCCCCC(=O)CCC1CCC1=O 1458a_100000212188_200016118888 [0,1,0,1,0,0|0,0,1]=3 25586 B14R1.1038 CCCCCC(=O)CSC1CCC1=O 62a_100009892977_200012276598 [0,1,0,1,0,0|1,0,1]=4 25587 B14R1.1038 CCCCCC(=O)CSC1CCC1=O 62a_200012276598_100009892977 [0,1,0,1,0,0|1,0,1]=4 25588 B14R1.1038 CCCCCN(C)CCC1CCC1=O 2230a_100000223495_200016118888 [0,1,0,1,0,0|1,0,0]=3 25589 B14R1.1038 CCCCCN(C)CCC1CCC1=O 269982a_100000223495_200016118888 [0,1,0,1,0,0|1,0,0]=3 25590 B14R1.1038 CCCOCC(=O)CCC1CCC1=O 1458a_100000745993_200016118888 [0,1,0,1,0,0|1,0,1]=4 25591 B14R1.1038 CCCSCC(=O)CCC1CCC1=O 1458a_100000217233_200016118888 [0,1,0,1,0,0|1,0,1]=4 25592 B14R1.1038 CCOCCC(=O)CCC1CCC1=O 1458a_100000749530_200016118888 [0,1,0,1,0,0|1,0,1]=4 25593 B14R1.1038 CCSCCC(=O)CCC1CCC1=O 1458a_100000230768_200016118888 [0,1,0,1,0,0|1,0,1]=4 25594 B14R1.1038 CN(CCCCO)CCC1CCC1=O 2230a_100000717598_200016118888 [0,1,0,1,0,0|2,0,0]=4 25595 B14R1.1038 CN(CCCCO)CCC1CCC1=O 269982a_100000717598_200016118888 [0,1,0,1,0,0|2,0,0]=4 25596 B14R1.1038 COCCCC(=O)CCC1CCC1=O 1458a_100000741012_200016118888 [0,1,0,1,0,0|1,0,1]=4 25597 B14R1.1038 COCCCN(C)CCC1CCC1=O 2230a_100000224831_200016118888 [0,1,0,1,0,0|2,0,0]=4 25598 B14R1.1038 COCCCN(C)CCC1CCC1=O 269982a_100000224831_200016118888 [0,1,0,1,0,0|2,0,0]=4 25599 B14R1.1038 CSCCCC(=O)CCC1CCC1=O 1458a_100000173376_200016118888 [0,1,0,1,0,0|1,0,1]=4 25600 B14R1.1038 NCCCC[C@H](N)COC1CCC1=O 34a_100016993712_100009892977 [0,1,0,1,0,0|2,0,0]=4 25601 B14R1.1038 O=C(CCCCO)CCC1CCC1=O 1458a_100000695505_200016118888 [0,1,0,1,0,0|1,0,1]=4 25602 B14R1.1047 CCCCCC(=O)CN1CCCC1=O 1458a_100000189602_100000210326 [0,1,0,1,0,0|1,0,1]=4 25603 B14R1.1047 CCCCCC(C)NC1CCCC1=O 2230a_100000211957_100000211823 [0,1,0,1,0,0|1,0,0]=3 25604 B14R1.1047 CCCCCC(C)NC1CCNC1=O 2230a_100016995588_200011218191 [0,1,0,1,0,0|2,0,0]=4 25605 B14R1.1047 CCCCCC(C)NC1CCNC1=O 270004a_100016995588_100000211708 [0,1,0,1,0,0|2,0,0]=4 25606 B14R1.1047 CCCCCC(C)NC1CCNC1=O 34a_100016995588_200011218191 [0,1,0,1,0,0|2,0,0]=4 25607 B14R1.1047 CCCCCC(C)NC1CCOC1=O 2230a_100000211957_100000211211 [0,1,0,1,0,0|2,0,0]=4 25608 B14R1.1047 CCCCCC(C)OC1CCCC1=O 34a_100011215632_100000709159 [0,1,0,1,0,0|1,0,0]=3 25609 B14R1.1047 CCCCCC(C)OC1CCCC1=O 34a_200000719330_200011218191 [0,1,0,1,0,0|1,0,0]=3 25610 B14R1.1047 CCCCCC(C)OC1CCCC1=O 7a_100011215632_100000211823 [0,1,0,1,0,0|1,0,0]=3 25611 B14R1.1047 CCCCCC(C)OC1CCOC1=O 34a_100011215632_100000211211 [0,1,0,1,0,0|2,0,0]=4 25612 B14R1.1047 CCCCCC(C)OC1CCOC1=O 7a_100011215632_100000211211 [0,1,0,1,0,0|2,0,0]=4 25613 B14R1.1047 CCCCCC(C)O[C@H]1CCNC1=O 34a_100000688343_200011218191 [0,1,0,1,0,0|2,0,0]=4 25614 B14R1.1047 CCCCCC(C)SC1CCCC1=O 62a_100000211823_200011218191 [0,1,0,1,0,0|1,0,0]=3 25615 B14R1.1047 CCCCCC(C)SC1CCCC1=O 62a_200011218191_100000211823 [0,1,0,1,0,0|1,0,0]=3 25616 B14R1.1047 CCCCCC(C)SC1CCOC1=O 62a_100000211211_200011218191 [0,1,0,1,0,0|2,0,0]=4 25617 B14R1.1047 CCCCCC(C)SC1CCOC1=O 62a_200011218191_100000211211 [0,1,0,1,0,0|2,0,0]=4 25618 B14R1.1047 CCCCCN(C)CN1CCCC1=O 269982a_100000223495_100000026320 [0,1,0,1,0,0|2,0,0]=4 25619 B14R1.1047 COCCCC(C)OC1CCCC1=O 34a_200011539412_100000709159 [0,1,0,1,0,0|2,0,0]=4 25620 B14R1.1047 COCCCC(C)OC1CCCC1=O 7a_200011539412_100000211823 [0,1,0,1,0,0|2,0,0]=4 25621 B14R1.3001 C=CCCCC(=O)C1CCCCCC1 1458a_100000749507_100000757094 [0,1,0,1,0,0|1,0,1]=4 25622 B14R1.3001 C=CCCCC(=O)C1CCCCCC1 1458a_100000766728_100011217769 [0,1,0,1,0,0|1,0,1]=4 25623 B14R1.3001 C=CCCCN(C)C1CCCCCC1 2230a_100015185097_100011713584 [0,1,0,1,0,0|2,0,0]=4 25624 B14R1.3001 C=CCCCN(C)C1CCCCCC1 269982a_100015185097_100000757094 [0,1,0,1,0,0|2,0,0]=4 25625 B14R1.3001 C=CCCCN(C)C1CCCCCC1 34a_100015185097_100000757094 [0,1,0,1,0,0|2,0,0]=4 25626 B14R1.3001 CN(CCCC=O)C1CCCCCC1 2230a_100015185097_200011292268 [0,1,0,1,0,0|1,0,0]=3 25627 B14R1.3001 CN(CCCC=O)C1CCCCCC1 269982a_100015185097_200011292268 [0,1,0,1,0,0|1,0,0]=3 25628 B14R1.4515 C=CCCCCCC(=O)C1CC1CC 1458a_200011661523_100000700193 [0,1,0,1,0,0|1,0,1]=4 25629 B14R1.4517 C=CCCCCCC(=O)CC1CCC1 1458a_100000763092_100000700193 [0,1,0,1,0,0|1,0,1]=4 25630 B14R1.4517 C=CCCCCCC(=O)CC1CCC1 1458a_100011934241_100000763275 [0,1,0,1,0,0|1,0,1]=4 25631 B14R1.4517 C=CCCCCCN(C)CC1CCC1 2230a_200000750244_100000700193 [0,1,0,1,0,0|2,0,0]=4 25632 B14R1.4517 C=CCCCCCN(C)CC1CCC1 269982a_200000750244_100000700193 [0,1,0,1,0,0|2,0,0]=4 25633 B14R1.4517 C=CCCCCCN(C)CC1CCC1 34a_200000750244_100000700193 [0,1,0,1,0,0|2,0,0]=4 25634 B14R1.4517 CN(CCCCCC=O)CC1CCC1 2230a_200000750244_100000139337 [0,1,0,1,0,0|1,0,0]=3 25635 B14R1.4517 CN(CCCCCC=O)CC1CCC1 269982a_200000750244_100000139337 [0,1,0,1,0,0|1,0,0]=3 25636 B14R1.4518 C=CCCCCCC(=O)CCC1CC1 1458a_100000756386_100000700193 [0,1,0,1,0,0|1,0,1]=4 25637 B14R1.4518 C=CCCCCCC(=O)CCC1CC1 1458a_100011934241_100000694398 [0,1,0,1,0,0|1,0,1]=4 25638 B14R1.4519 CCCCCCCC(=O)C1CCC1=O 1458a_100000211969_100009892977 [0,1,0,1,0,0|0,0,1]=3 25639 B14R1.4519 CCCCCCCN(C)C1CCC1=O 269982a_100000228206_100009892977 [0,1,0,1,0,0|1,0,0]=3 25640 B14R1.4519 COCCCCCC(=O)C1CCC1=O 1458a_100011935119_100009892977 [0,1,0,1,0,0|1,0,1]=4 25641 B14R1.4519 O=C(CCCCCCO)C1CCC1=O 1458a_100011996774_100009892977 [0,1,0,1,0,0|1,0,1]=4 25642 B14R1.8088 C=CCCCCNC1(CCCCC1)C 2230a_100000741114_100011215482 [0,1,0,1,0,0|2,0,0]=4 25643 B14R1.8088 C=CCCCCNC1(CCCCC1)C 34a_100000741114_100011215482 [0,1,0,1,0,0|2,0,0]=4 25644 B14R1.8088 C=CCCCCOC1(CCCCC1)C 34a_100011215885_100011215482 [0,1,0,1,0,0|2,0,0]=4 25645 B14R1.8088 C=CCCCCOC1(CCCCC1)C 7a_100011215885_100011215482 [0,1,0,1,0,0|2,0,0]=4 25646 B14R1.8088 C=CCCCNCC1(CCCCC1)C 2230a_100000706052_100011713584 [0,1,0,1,0,0|2,0,0]=4 25647 B14R1.8088 C=CCCCNCC1(CCCCC1)C 269862a_100000700776_100011935227 [0,1,0,1,0,0|2,0,0]=4 25648 B14R1.8088 C=CCCCNCC1(CCCCC1)C 34a_100000706052_100000757094 [0,1,0,1,0,0|2,0,0]=4 25649 B14R1.8088 C=CCCCNCC1(CCCCC1)O 2230a_100000748649_100011713584 [0,1,0,1,0,0|2,0,0]=4 25650 B14R1.8088 C=CCCCNCC1(CCCCC1)O 34a_100000748649_100000757094 [0,1,0,1,0,0|2,0,0]=4 25651 B14R1.8088 C=CCCCOCC1(CCCCC1)C 34a_100000688186_100000757094 [0,1,0,1,0,0|2,0,0]=4 25652 B14R1.8088 C=CCCCOCC1(CCCCC1)C 7a_100000688186_100000757094 [0,1,0,1,0,0|2,0,0]=4 25653 B14R1.8088 C=CCCCOCC1(CCCCC1)F 34a_100000090305_100000757094 [0,1,0,1,0,0|2,0,0]=4 25654 B14R1.8088 C=CCCCOCC1(CCCCC1)F 7a_100000090305_100000757094 [0,1,0,1,0,0|2,0,0]=4 25655 B14R1.8088 C=CCCCOCC1(CCCCC1)N 34a_100000740034_100000757094 [0,1,0,1,0,0|2,0,0]=4 25656 B14R1.8088 C=CCCNCCC1(CCCCC1)O 2230a_100102740465_100000754431 [0,1,0,1,0,0|2,0,0]=4 25657 B14R1.8088 C=CCCNCCC1(CCCCC1)O 34a_100102740465_100000754431 [0,1,0,1,0,0|2,0,0]=4 25658 B14R1.8088 CC1(CCCCC1)CNCCCC=O 2230a_100000706052_200011292268 [0,1,0,1,0,0|1,0,0]=3 25659 B14R1.8088 CC1(CCCCC1)COCCCC=O 7a_100000688186_200011292268 [0,1,0,1,0,0|1,0,0]=3 25660 B14R1.8088 CC1(CCCCC1)NCCCCC=O 2230a_100000741114_100000139335 [0,1,0,1,0,0|1,0,0]=3 25661 B14R1.8088 CC1(CCCCC1)OCCCCC=O 7a_100011215885_100000139335 [0,1,0,1,0,0|1,0,0]=3 25662 B14R1.8088 CC1(CCOCC1)CNCCCC=O 2230a_100000695556_200011292268 [0,1,0,1,0,0|2,0,0]=4 25663 B14R1.8088 CC1(CCOCC1)COCCCC=O 7a_100000704393_200011292268 [0,1,0,1,0,0|2,0,0]=4 25664 B14R1.8088 CC1(CCOCC1)NCCCCC=O 2230a_100000692449_100000139335 [0,1,0,1,0,0|2,0,0]=4 25665 B14R1.8088 CC1(CCOCC1)OCCCCC=O 7a_100011827762_100000139335 [0,1,0,1,0,0|2,0,0]=4 25666 B14R1.8088 CC1(CCSCC1)OCCCCC=O 7a_200011004327_100000139335 [0,1,0,1,0,0|2,0,0]=4 25667 B14R1.8088 O=CCCCNCC1(CCCCC1)O 2230a_100000748649_200011292268 [0,1,0,1,0,0|1,0,0]=3 25668 B14R1.8088 O=CCCCNCC1(CCOCC1)F 2230a_100016991512_200011292268 [0,1,0,1,0,0|2,0,0]=4 25669 B14R1.8088 O=CCCCNCC1(CCOCC1)O 2230a_100000704115_200011292268 [0,1,0,1,0,0|2,0,0]=4 25670 B14R1.8088 O=CCCCNCC1(CCSCC1)O 2230a_100000758141_200011292268 [0,1,0,1,0,0|2,0,0]=4 25671 B14R1.8088 O=CCCCOCC1(CCCCC1)F 7a_100000090305_200011292268 [0,1,0,1,0,0|1,0,0]=3 25672 B14R1.20339 C=CCCCCN1C(CCCC1C)C 2230a_100000210447_100011215482 [0,1,0,1,0,0|2,0,0]=4 25673 B14R1.20339 C=CCCCCN1C(CCCC1C)C 269982a_100000210447_100011215482 [0,1,0,1,0,0|2,0,0]=4 25674 B14R1.20339 C=CCCCCN1C(CCCC1C)C 34a_100000210447_100011215482 [0,1,0,1,0,0|2,0,0]=4 25675 B14R1.20339 C=CCCCNC1C(CCCC1C)C 269862a_100000700776_100000211995 [0,1,0,1,0,0|2,0,0]=4 25676 B14R1.20339 C=CCCCOC1C(CCCC1C)C 34a_100011218088_100000757094 [0,1,0,1,0,0|2,0,0]=4 25677 B14R1.20339 C=CCCCOC1C(CCCC1C)C 7a_100011218088_100000757094 [0,1,0,1,0,0|2,0,0]=4 25678 B14R1.20339 CC1CCCC(C1OCCCC=O)C 7a_100011218088_200011292268 [0,1,0,1,0,0|1,0,0]=3 25679 B14R1.20339 CC1CCCC(N1CCCCC=O)C 2230a_100000210447_100000139335 [0,1,0,1,0,0|1,0,0]=3 25680 B14R1.20339 CC1CCCC(N1CCCCC=O)C 269982a_100000210447_100000139335 [0,1,0,1,0,0|1,0,0]=3 25681 B14R1.20339 CC1CCCC(N1CCNCC=O)C 2230a_100000749955_200015260668 [0,1,0,1,0,0|2,0,0]=4 25682 B14R1.20339 CC1CCCC(N1CCNCC=O)C 34a_100000749955_200009817547 [0,1,0,1,0,0|2,0,0]=4 25683 B14R1.20339 CC1CCCC(N1CCOCC=O)C 34a_100011305576_200009817547 [0,1,0,1,0,0|2,0,0]=4 25684 B14R1.20339 CC1CCCC(N1CCOCC=O)C 7a_100011305576_200015260668 [0,1,0,1,0,0|2,0,0]=4 25685 B14R1.20339 CCCCCNC1C(=O)CCCC1=O 2230a_100000209983_100009814513 [0,1,0,1,0,0|1,0,1]=4 25686 B14R1.20339 CCCCCOC1C(=O)CCCC1=O 7a_100000210253_100009814513 [0,1,0,1,0,0|1,0,1]=4 25687 B14R1.20339 CCCCCSC1C(=O)CCCC1=O 62a_100000210326_100009814513 [0,1,0,1,0,0|1,0,1]=4 25688 B14R1.20339 CCCCCSC1C(=O)CCCC1=O 62a_100009814513_100000210326 [0,1,0,1,0,0|1,0,1]=4 25689 B14R1.20339 C[C@@H]1COC[C@@H](N1CCCCC=O)C 2230a_100103153222_100000139335 [0,1,0,1,0,0|2,0,0]=4 25690 B14R1.20339 C[C@@H]1COC[C@@H](N1CCCCC=O)C 269982a_100103153222_100000139335 [0,1,0,1,0,0|2,0,0]=4 25691 B14R2.6 C1=CC(CCC1)NC2CCCCC2 2230a_100000182618_100000751183 [0,0,0,2,0,0|2,0,0]=4 25692 B14R2.6 C1=CC(CCC1)OC2CCCCC2 34a_100011215024_100000210327 [0,0,0,2,0,0|2,0,0]=4 25693 B14R2.6 C1=CC(CCC1)OC2CCCCC2 7a_100000210231_100000751183 [0,0,0,2,0,0|2,0,0]=4 25694 B14R2.6 C1=CC(CCC1)SC2CCCCC2 62a_100000210327_100000751183 [0,0,0,2,0,0|2,0,0]=4 25695 B14R2.6 C1=CC(CCC1)SC2CCCCC2 62a_100000751183_100000210327 [0,0,0,2,0,0|2,0,0]=4 25696 B14R2.14 CCC1CCCN1C2C=CCCC2 2230a_100000754278_100000751183 [0,0,0,2,0,0|2,0,0]=4 25697 B14R2.14 CCC1CCCN1C2C=CCCC2 269982a_100000754278_100000751183 [0,0,0,2,0,0|2,0,0]=4 25698 B14R2.24 CC1CCCCN1C2C=CCCC2 2230a_100000211376_100000751183 [0,0,0,2,0,0|2,0,0]=4 25699 B14R2.24 CC1CCCCN1C2C=CCCC2 269982a_100000211376_100000751183 [0,0,0,2,0,0|2,0,0]=4 25700 B14R2.24 CN1CCCCC1C2CCCCC2 2230a_100011219272_200000210301 [0,0,0,2,0,0|2,0,0]=4 25701 B14R2.24 CN1CCCCC1C2CCCCC2 269982a_100011219272_200000210301 [0,0,0,2,0,0|2,0,0]=4 25702 B14R2.24 CN1CCCCC1C2CCCCC2 34a_100011219272_200000210301 [0,0,0,2,0,0|2,0,0]=4 25703 B14R2.24 O=C1CCCCC1N2CCCOC2 269982a_100000131196_100000204591 [0,0,0,2,0,0|2,0,0]=4 25704 B14R2.24 O=C1CCCCC1N2CCCOC2 34a_100000131196_100000754470 [0,0,0,2,0,0|2,0,0]=4 25705 B14R2.24 O=C1CCCCC1N2CCOCC2 269982a_100015191051_100000204591 [0,0,0,2,0,0|2,0,0]=4 25706 B14R2.24 O=C1CCCCC1N2CCOCC2 34a_100015191051_100000754470 [0,0,0,2,0,0|2,0,0]=4 25707 B14R2.24 O=C1CCCCC1N2CCSCC2 269982a_100000737611_100000204591 [0,0,0,2,0,0|2,0,0]=4 25708 B14R2.24 [13CH3]N1CCCCC1C2CCCCC2 2230a_100011219272_200025704644 [0,0,0,2,0,0|2,0,0]=4 25709 B14R2.24 [13CH3]N1CCCCC1C2CCCCC2 269982a_100011219272_200025704644 [0,0,0,2,0,0|2,0,0]=4 25710 B14R2.24 [13CH3]N1CCCCC1C2CCCCC2 34a_100011219272_200025704644 [0,0,0,2,0,0|2,0,0]=4 25711 B14R2.30 CC1CCCC1OC2C=CCCC2 7a_100011216460_100000751183 [0,0,0,2,0,0|2,0,0]=4 25712 B14R2.30 O=C1CCCC1NC2CCCCC2 2230a_100000182618_100000211823 [0,0,0,2,0,0|1,0,0]=3 25713 B14R2.30 O=C1CCCC1NC2CCCCC2 34a_100000182618_100000709159 [0,0,0,2,0,0|1,0,0]=3 25714 B14R2.30 O=C1CCCC1NC2CCCOC2 2230a_100000719290_100000211823 [0,0,0,2,0,0|2,0,0]=4 25715 B14R2.30 O=C1CCCC1NC2CCCOC2 34a_100000719290_100000709159 [0,0,0,2,0,0|2,0,0]=4 25716 B14R2.30 O=C1CCCC1NC2CCOCC2 2230a_100000741149_100000211823 [0,0,0,2,0,0|2,0,0]=4 25717 B14R2.30 O=C1CCCC1NC2CCOCC2 34a_100000741149_100000709159 [0,0,0,2,0,0|2,0,0]=4 25718 B14R2.30 O=C1CCCC1NC2CCSCC2 2230a_100000748639_100000211823 [0,0,0,2,0,0|2,0,0]=4 25719 B14R2.30 O=C1CCCC1NC2CCSCC2 34a_100000748639_100000709159 [0,0,0,2,0,0|2,0,0]=4 25720 B14R2.30 O=C1CCCC1OC2CCCCC2 34a_100000210231_100000709159 [0,0,0,2,0,0|1,0,0]=3 25721 B14R2.30 O=C1CCCC1OC2CCCCC2 34a_200000719330_100000210327 [0,0,0,2,0,0|1,0,0]=3 25722 B14R2.30 O=C1CCCC1OC2CCCCC2 7a_100000210231_100000211823 [0,0,0,2,0,0|1,0,0]=3 25723 B14R2.30 O=C1CCCC1OC2CCCCO2 34a_100000033831_100000709159 [0,0,0,2,0,0|2,0,0]=4 25724 B14R2.30 O=C1CCCC1OC2CCCOC2 34a_100000754041_100000709159 [0,0,0,2,0,0|2,0,0]=4 25725 B14R2.30 O=C1CCCC1OC2CCCOC2 34a_200000719330_100000693364 [0,0,0,2,0,0|2,0,0]=4 25726 B14R2.30 O=C1CCCC1OC2CCCSC2 7a_100015962668_100000211823 [0,0,0,2,0,0|2,0,0]=4 25727 B14R2.30 O=C1CCCC1OC2CCOCC2 34a_100000744328_100000709159 [0,0,0,2,0,0|2,0,0]=4 25728 B14R2.30 O=C1CCCC1OC2CCSCC2 34a_100000731022_100000709159 [0,0,0,2,0,0|2,0,0]=4 25729 B14R2.30 O=C1CCCC1OC2CCSCC2 34a_200000719330_100000069128 [0,0,0,2,0,0|2,0,0]=4 25730 B14R2.30 O=C1CCCC1OC2CCSCC2 7a_100000731022_100000211823 [0,0,0,2,0,0|2,0,0]=4 25731 B14R2.30 O=C1CCCC1SC2CCCCC2 62a_100000210327_100000211823 [0,0,0,2,0,0|1,0,0]=3 25732 B14R2.30 O=C1CCCC1SC2CCCCC2 62a_100000211823_100000210327 [0,0,0,2,0,0|1,0,0]=3 25733 B14R2.30 O=C1CCCC1SC2CCCOC2 62a_100000211823_100000693364 [0,0,0,2,0,0|2,0,0]=4 25734 B14R2.30 O=C1CCCC1SC2CCOCC2 62a_100000211823_100011324220 [0,0,0,2,0,0|2,0,0]=4 25735 B14R2.30 O=C1CCCC1SC2CCSCC2 62a_100000211823_100000069128 [0,0,0,2,0,0|2,0,0]=4 25736 B14R2.30 O=C1NCCC1NC2CCCCC2 270004a_100016995588_100000210434 [0,0,0,2,0,0|2,0,0]=4 25737 B14R2.30 O=C1NCCC1NC2CCCCC2 34a_100016995588_100000210327 [0,0,0,2,0,0|2,0,0]=4 25738 B14R2.30 O=C1NCC[C@@H]1OC2CCCCC2 34a_100000688343_100000210327 [0,0,0,2,0,0|2,0,0]=4 25739 B14R2.30 O=C1OCCC1NC2CCCCC2 2230a_100000182618_100000211211 [0,0,0,2,0,0|2,0,0]=4 25740 B14R2.30 O=C1OCCC1NC2CCCCC2 34a_100000182618_100000211211 [0,0,0,2,0,0|2,0,0]=4 25741 B14R2.30 O=C1OCCC1OC2CCCCC2 34a_100000210231_100000211211 [0,0,0,2,0,0|2,0,0]=4 25742 B14R2.30 O=C1OCCC1OC2CCCCC2 7a_100000210231_100000211211 [0,0,0,2,0,0|2,0,0]=4 25743 B14R2.30 O=C1OCCC1SC2CCCCC2 62a_100000210327_100000211211 [0,0,0,2,0,0|2,0,0]=4 25744 B14R2.30 O=C1OCCC1SC2CCCCC2 62a_100000211211_100000210327 [0,0,0,2,0,0|2,0,0]=4 25745 B14R2.31 O=C1CCC1CCN2CCCOC2 2230a_100000131196_200016118888 [0,0,0,2,0,0|2,0,0]=4 25746 B14R2.31 O=C1CCC1CCN2CCCOC2 269982a_100000131196_200016118888 [0,0,0,2,0,0|2,0,0]=4 25747 B14R2.31 O=C1CCC1CCN2CCOCC2 2230a_100015191051_200016118888 [0,0,0,2,0,0|2,0,0]=4 25748 B14R2.31 O=C1CCC1CCN2CCOCC2 269982a_100015191051_200016118888 [0,0,0,2,0,0|2,0,0]=4 25749 B14R2.31 O=C1CCC1CCN2CCSCC2 2230a_100000737611_200016118888 [0,0,0,2,0,0|2,0,0]=4 25750 B14R2.31 O=C1CCC1CCN2CCSCC2 269982a_100000737611_200016118888 [0,0,0,2,0,0|2,0,0]=4 25751 B14R2.31 O=C1CCC1NCC2CCCCC2 34a_100000210473_100009892977 [0,0,0,2,0,0|1,0,0]=3 25752 B14R2.31 O=C1CCC1NCC2CCCCO2 34a_100000174945_100009892977 [0,0,0,2,0,0|2,0,0]=4 25753 B14R2.31 O=C1CCC1NCC2CCCOC2 34a_100000720124_100009892977 [0,0,0,2,0,0|2,0,0]=4 25754 B14R2.31 O=C1CCC1NCC2CCOCC2 34a_100000746373_100009892977 [0,0,0,2,0,0|2,0,0]=4 25755 B14R2.31 O=C1CCC1NCC2CCSCC2 34a_100015188806_100009892977 [0,0,0,2,0,0|2,0,0]=4 25756 B14R2.31 O=C1CCC1OCC2CCCCC2 34a_100000212181_100009892977 [0,0,0,2,0,0|1,0,0]=3 25757 B14R2.31 O=C1CCC1OCC2CCCCC2 7a_100000212181_100009892977 [0,0,0,2,0,0|1,0,0]=3 25758 B14R2.31 O=C1CCC1OCC2CCCCN2 34a_100000210821_100009892977 [0,0,0,2,0,0|2,0,0]=4 25759 B14R2.31 O=C1CCC1OCC2CCCCO2 34a_100000211370_100009892977 [0,0,0,2,0,0|2,0,0]=4 25760 B14R2.31 O=C1CCC1OCC2CCCCO2 7a_100000211370_100009892977 [0,0,0,2,0,0|2,0,0]=4 25761 B14R2.31 O=C1CCC1OCC2CCCNC2 34a_100000211344_100009892977 [0,0,0,2,0,0|2,0,0]=4 25762 B14R2.31 O=C1CCC1OCC2CCCOC2 34a_100000741520_100009892977 [0,0,0,2,0,0|2,0,0]=4 25763 B14R2.31 O=C1CCC1OCC2CCNCC2 34a_100000738675_100009892977 [0,0,0,2,0,0|2,0,0]=4 25764 B14R2.31 O=C1CCC1OCC2CCOCC2 34a_100000749013_100009892977 [0,0,0,2,0,0|2,0,0]=4 25765 B14R2.31 O=C1CCC1OCC2CCSCC2 34a_100000070558_100009892977 [0,0,0,2,0,0|2,0,0]=4 25766 B14R2.31 O=C1CCC1OCC2CCSCC2 7a_100000070558_100009892977 [0,0,0,2,0,0|2,0,0]=4 25767 B14R2.31 O=C1CCC1SCC2CCCCC2 62a_100000211423_100009892977 [0,0,0,2,0,0|1,0,0]=3 25768 B14R2.31 O=C1CCC1SCC2CCCCC2 62a_100009892977_100000211423 [0,0,0,2,0,0|1,0,0]=3 25769 B14R2.31 O=C1CCC1SCC2CCCCO2 62a_100000211543_100009892977 [0,0,0,2,0,0|2,0,0]=4 25770 B14R2.31 O=C1CCC1SCC2CCCCO2 62a_100009892977_100000211543 [0,0,0,2,0,0|2,0,0]=4 25771 B14R2.31 O=C1CCC1SCC2CCCOC2 62a_100000741521_100009892977 [0,0,0,2,0,0|2,0,0]=4 25772 B14R2.31 O=C1CCC1SCC2CCCOC2 62a_100009892977_100000741521 [0,0,0,2,0,0|2,0,0]=4 25773 B14R2.31 O=C1CCC1SCC2CCOCC2 62a_100000754603_100009892977 [0,0,0,2,0,0|2,0,0]=4 25774 B14R2.31 O=C1CCC1SCC2CCOCC2 62a_100009892977_100000749018 [0,0,0,2,0,0|2,0,0]=4 25775 B14R2.58 O=CCN1CCOC12CCCCC2 269982a_200015422347_200015260668 [0,0,0,2,0,0|2,0,0]=4 25776 B14R2.58 O=CCN1CCOC12CCCCC2 34a_200015422347_200009817547 [0,0,0,2,0,0|2,0,0]=4 25777 B14R2.101 C1=CC(CCC1)NCC2CCCC2 2230a_100000737975_100000751183 [0,0,0,2,0,0|2,0,0]=4 25778 B14R2.101 C1=CC(CCC1)OCC2CCCC2 34a_100011215024_100000740388 [0,0,0,2,0,0|2,0,0]=4 25779 B14R2.101 C1=CC(CCC1)OCC2CCCC2 7a_100000742336_100000751183 [0,0,0,2,0,0|2,0,0]=4 25780 B14R2.101 C1=CC(CCC1)SCC2CCCC2 62a_100000740388_100000751183 [0,0,0,2,0,0|2,0,0]=4 25781 B14R2.101 C1=CC(CCC1)SCC2CCCC2 62a_100000751183_100000740388 [0,0,0,2,0,0|2,0,0]=4 25782 B14R2.795 C=CCNCC1CC12CCCCC2 2230a_100015185624_100000210623 [0,0,0,2,0,0|2,0,0]=4 25783 B14R2.795 C=CCNCC1CC12CCCCC2 34a_100015185624_100015514636 [0,0,0,2,0,0|2,0,0]=4 25784 B14R2.795 O=CCNCC1CC12CCCCC2 2230a_100015185624_200015260668 [0,0,0,2,0,0|1,0,0]=3 25785 B14R2.795 O=CCNCC1CC12CCCCC2 34a_100015185624_200009817547 [0,0,0,2,0,0|1,0,0]=3 25786 B14R2.1253 C1=CC(CCC1)N2CCCCCC2 2230a_100000185865_100000751183 [0,0,0,2,0,0|2,0,0]=4 25787 B14R2.1253 C1=CC(CCC1)N2CCCCCC2 269982a_100000185865_100000751183 [0,0,0,2,0,0|2,0,0]=4 25788 B14R2.2549 O=CCCCCNC1C2C1COC2 2230a_100000702821_100000139335 [0,0,0,2,0,0|2,0,0]=4 25789 B14R2.3316 C=CCCCN1CC2CCC1CC2 2230a_100000750499_100011713584 [0,0,0,2,0,0|2,0,0]=4 25790 B14R2.3316 C=CCCCN1CC2CCC1CC2 269982a_100000750499_100000757094 [0,0,0,2,0,0|2,0,0]=4 25791 B14R2.3316 C=CCCCN1CC2CCC1CC2 34a_100000750499_100000757094 [0,0,0,2,0,0|2,0,0]=4 25792 B14R2.3316 CCCNCC1CC2C=CC1CC2 269862a_100020643023_100010619355 [0,0,0,2,0,0|2,0,0]=4 25793 B14R2.3316 O=CCCCN1CC2CCC1CC2 2230a_100000750499_200011292268 [0,0,0,2,0,0|1,0,0]=3 25794 B14R2.3316 O=CCCCN1CC2CCC1CC2 269982a_100000750499_200011292268 [0,0,0,2,0,0|1,0,0]=3 25795 B14R2.4411 C=CCCCCN1C2CCC1CC2 2230a_100000735658_100011215482 [0,0,0,2,0,0|2,0,0]=4 25796 B14R2.4411 C=CCCCCN1C2CCC1CC2 269982a_100000735658_100011215482 [0,0,0,2,0,0|2,0,0]=4 25797 B14R2.4411 C=CCCCCN1C2CCC1CC2 34a_100000735658_100011215482 [0,0,0,2,0,0|2,0,0]=4 25798 B14R2.4411 C=CCCCNC1C2CCC1CC2 34a_100000700776_100009813300 [0,0,0,2,0,0|2,0,0]=4 25799 B14R2.4411 C=CCCCOC1C2CCC1CC2 34a_100000758997_100009813300 [0,0,0,2,0,0|2,0,0]=4 25800 B14R2.4411 C=CCCCSC1C2CCC1CC2 62a_100009813300_100000757094 [0,0,0,2,0,0|2,0,0]=4 25801 B14R2.4411 C=CCCCSC1C2CCC1CC2 62a_100011713584_100009813300 [0,0,0,2,0,0|2,0,0]=4 25802 B14R2.4411 O=CCCCCN1C2CCC1CC2 2230a_100000735658_100000139335 [0,0,0,2,0,0|1,0,0]=3 25803 B14R2.4411 O=CCCCCN1C2CCC1CC2 269982a_100000735658_100000139335 [0,0,0,2,0,0|1,0,0]=3 25804 B14R2.4411 O=CCCCSC1C2CCC1CC2 62a_100009813300_200011292268 [0,0,0,2,0,0|1,0,0]=3 25805 B14R2.4411 O=CCCCSC1C2CCC1CC2 62a_200011292268_100009813300 [0,0,0,2,0,0|1,0,0]=3 25806 B14R2.7150 C=CCN1CCCC2C1CCCC2 2230a_100000211887_100000210623 [0,0,0,2,0,0|2,0,0]=4 25807 B14R2.7150 C=CCN1CCCC2C1CCCC2 269982a_100000211887_100000210623 [0,0,0,2,0,0|2,0,0]=4 25808 B14R2.7150 C=CCN1CCCC2C1CCCC2 34a_100000211887_100015514636 [0,0,0,2,0,0|2,0,0]=4 25809 B14R2.7150 O=CCN1CCCC2C1CCCC2 2230a_100000211887_200015260668 [0,0,0,2,0,0|1,0,0]=3 25810 B14R2.7150 O=CCN1CCCC2C1CCCC2 269982a_100000211887_200015260668 [0,0,0,2,0,0|1,0,0]=3 25811 B14R2.7150 O=CCN1CCCC2C1CCCC2 34a_100000211887_200009817547 [0,0,0,2,0,0|1,0,0]=3 25812 B14R2.7150 O=CCN1CCOC2C1CCCC2 2230a_200000741227_200015260668 [0,0,0,2,0,0|2,0,0]=4 25813 B14R2.7150 O=CCN1CCOC2C1CCCC2 269982a_200000741227_200015260668 [0,0,0,2,0,0|2,0,0]=4 25814 B14R2.7150 O=CCN1CCOC2C1CCCC2 34a_200000741227_200009817547 [0,0,0,2,0,0|2,0,0]=4 25815 B14R2.10953 C=CCCCCCN1CC2CC2C1 2230a_100000741873_100000700193 [0,0,0,2,0,0|2,0,0]=4 25816 B14R2.10953 C=CCCCCCN1CC2CC2C1 269982a_100000741873_100000700193 [0,0,0,2,0,0|2,0,0]=4 25817 B14R2.10953 C=CCCCCCN1CC2CC2C1 34a_100000741873_100000700193 [0,0,0,2,0,0|2,0,0]=4 25818 B14R2.10953 C=CCCCCNC1CC2CC2C1 270004a_100000703577_100010340937 [0,0,0,2,0,0|2,0,0]=4 25819 B14R2.10953 O=CCCCCCN1CC2CC2C1 2230a_100000741873_100000139337 [0,0,0,2,0,0|1,0,0]=3 25820 B14R2.10953 O=CCCCCCN1CC2CC2C1 269982a_100000741873_100000139337 [0,0,0,2,0,0|1,0,0]=3 25821 B14R2.13702 C=CCCCCNC1CCC2C1C2 269862a_100000703577_100000692480 [0,0,0,2,0,0|2,0,0]=4 25822 B14R2.13702 C=CCCCCNC1CCC2C1C2 270004a_100000703577_100000692480 [0,0,0,2,0,0|2,0,0]=4 25823 B14R2.13702 C=CCCCCOC1CCC2C1C2 34a_200012295571_100011215482 [0,0,0,2,0,0|2,0,0]=4 25824 B14R2.48 O=C1CCCCCC1N2CCCC2 269982a_100000188435_100000243696 [0,0,0,2,0,0|1,0,0]=3 25825 B14R2.48 O=C1CCCCCC1N2CCSC2 269982a_100011215254_100000243696 [0,0,0,2,0,0|2,0,0]=4 25826 B14R2.48 O=C1NCCCCC1N2CCCC2 2230a_100000188435_100000735217 [0,0,0,2,0,0|2,0,0]=4 25827 B14R2.48 O=C1NCCCCC1N2CCCC2 269982a_100000188435_100000735217 [0,0,0,2,0,0|2,0,0]=4 25828 B14R2.635 CC1CCN1C2CCCCCC2=O 269982a_100000755817_100000243696 [0,0,0,2,0,0|1,0,0]=3 25829 B14R2.635 CC1CCN1C2CCCCNC2=O 269982a_100000755817_100000735217 [0,0,0,2,0,0|2,0,0]=4 25830 B14R2.5536 O=C1CCCCCC1SCC2CC2 62a_100000243696_100000742324 [0,0,0,2,0,0|1,0,0]=3 25831 B14R2.5536 O=C1CCCCCC1SCC2CC2 62a_100000756562_100000243696 [0,0,0,2,0,0|1,0,0]=3 25832 B14R2.5536 O=C1CCCCCC1SCC2CO2 62a_100000243696_102125554688 [0,0,0,2,0,0|2,0,0]=4 25833 B14R2.5536 O=C1CCCCCC1SCC2CO2 62a_102125554688_100000243696 [0,0,0,2,0,0|2,0,0]=4 25834 B14R2.5536 O=C1CCCCCC1SCC2CS2 62a_100000031435_100000243696 [0,0,0,2,0,0|2,0,0]=4 25835 B14R2.5536 O=C1CCCCCC1SCC2CS2 62a_100000243696_100000031435 [0,0,0,2,0,0|2,0,0]=4 25836 B14R2.5536 O=C1CCCCCC1SC[C@@H]2CO2 62a_100000243696_100000745022 [0,0,0,2,0,0|2,0,0]=4 25837 B14R2.5536 O=C1CCCCCC1SC[C@@H]2CO2 62a_100000745022_100000243696 [0,0,0,2,0,0|2,0,0]=4 25838 B14R2.5536 O=C1NCCCCC1NCC2CC2 2230a_100000698827_100000742324 [0,0,0,2,0,0|2,0,0]=4 25839 B14R2.5536 O=C1NCCCCC1NCC2CC2 2230a_100000735609_100000735217 [0,0,0,2,0,0|2,0,0]=4 25840 B14R2.5536 O=C1NCCCCC1NCC2CC2 269862a_100000698827_100000741477 [0,0,0,2,0,0|2,0,0]=4 25841 B14R2.5536 O=C1NCCCCC1NCC2CC2 34a_100000698827_100000742324 [0,0,0,2,0,0|2,0,0]=4 25842 B14R2.5536 O=C1NCCCCC1SCC2CC2 62a_100000735217_100000742324 [0,0,0,2,0,0|2,0,0]=4 25843 B14R2.5536 O=C1NCCCCC1SCC2CC2 62a_100000756562_100000735217 [0,0,0,2,0,0|2,0,0]=4 25844 B14R2.8160 O=C1CCCCCC1OC2CSC2 7a_100000072292_100000243696 [0,0,0,2,0,0|2,0,0]=4 25845 B14R2.8160 O=C1CCCCCC1SC2CCC2 62a_100000243696_100000749161 [0,0,0,2,0,0|1,0,0]=3 25846 B14R2.8160 O=C1CCCCCC1SC2COC2 62a_100000243696_100009818527 [0,0,0,2,0,0|2,0,0]=4 25847 B14R2.8160 O=C1NCCCCC1NC2CCC2 2230a_100000749019_100000735217 [0,0,0,2,0,0|2,0,0]=4 25848 B14R2.8160 O=C1NCCCCC1NC2CCC2 270004a_100000698827_100000241760 [0,0,0,2,0,0|2,0,0]=4 25849 B14R2.8160 O=C1NCCCCC1NC2CCC2 34a_100000698827_100000749161 [0,0,0,2,0,0|2,0,0]=4 25850 B14R2.8160 O=C1NCCCCC1SC2CCC2 62a_100000735217_100000749161 [0,0,0,2,0,0|2,0,0]=4 25851 B14R2.112 C=CCN1CCC2CCCCC2C1 2230a_100000211783_100000210623 [0,0,0,2,0,0|2,0,0]=4 25852 B14R2.112 C=CCN1CCC2CCCCC2C1 269982a_100000211783_100000210623 [0,0,0,2,0,0|2,0,0]=4 25853 B14R2.112 C=CCN1CCC2CCCCC2C1 34a_100000211783_100015514636 [0,0,0,2,0,0|2,0,0]=4 25854 B14R2.112 O=CCN1CCC2CCCCC2C1 2230a_100000211783_200015260668 [0,0,0,2,0,0|1,0,0]=3 25855 B14R2.112 O=CCN1CCC2CCCCC2C1 269982a_100000211783_200015260668 [0,0,0,2,0,0|1,0,0]=3 25856 B14R2.112 O=CCN1CCC2CCCCC2C1 34a_100000211783_200009817547 [0,0,0,2,0,0|1,0,0]=3 25857 B14R2.112 O=CCN1CCN2CCCCC2C1 2230a_100000746566_200015260668 [0,0,0,2,0,0|2,0,0]=4 25858 B14R2.112 O=CCN1CCN2CCCCC2C1 269982a_100000746566_200015260668 [0,0,0,2,0,0|2,0,0]=4 25859 B14R2.112 O=CCN1CCN2CCCCC2C1 34a_100000746566_200009817547 [0,0,0,2,0,0|2,0,0]=4 25860 B14R2.148 CCC1CCCCN1C2CCC2=O 269982a_100000210034_100009892977 [0,0,0,2,0,0|1,0,0]=3 25861 B14R2.148 CCC1CCCCN1C2CCC2=O 34a_100000210034_100009892977 [0,0,0,2,0,0|1,0,0]=3 25862 B14R2.148 CC[C@H]1COCCN1C2CCC2=O 269982a_100016988097_100009892977 [0,0,0,2,0,0|2,0,0]=4 25863 B14R2.148 CC[C@H]1COCCN1C2CCC2=O 34a_100016988097_100009892977 [0,0,0,2,0,0|2,0,0]=4 25864 B14R2.148 O=C1CCC1N2CCCCC2CO 269982a_100000210821_100009892977 [0,0,0,2,0,0|2,0,0]=4 25865 B14R2.148 O=C1CCC1N2CCCCC2CO 34a_100000210821_100009892977 [0,0,0,2,0,0|2,0,0]=4 25866 B14R2.9640 O=CCCCN1C2CCC1COC2 2230a_100015205251_200011292268 [0,0,0,2,0,0|2,0,0]=4 25867 B14R2.9640 O=CCCCN1C2CCC1COC2 269982a_100015205251_200011292268 [0,0,0,2,0,0|2,0,0]=4 25868 B14R2.50 O=C1CCCCC1NC2CCCC2 34a_100000211070_100000754470 [0,0,0,2,0,0|1,0,0]=3 25869 B14R2.50 O=C1CCCCC1N[C@H]2CCOC2 34a_100015188467_100000754470 [0,0,0,2,0,0|2,0,0]=4 25870 B14R2.50 O=C1CCCCC1OC2CCCC2 34a_100000210269_100000754470 [0,0,0,2,0,0|1,0,0]=3 25871 B14R2.50 O=C1CCCCC1OC2CCCC2 34a_100011214950_100000179811 [0,0,0,2,0,0|1,0,0]=3 25872 B14R2.50 O=C1CCCCC1OC2CCCC2 7a_100000210269_100000204591 [0,0,0,2,0,0|1,0,0]=3 25873 B14R2.50 O=C1CCCCC1OC2CCCO2 34a_100000085407_100000754470 [0,0,0,2,0,0|2,0,0]=4 25874 B14R2.50 O=C1CCCCC1OC2CCOC2 34a_100011214950_100000690089 [0,0,0,2,0,0|2,0,0]=4 25875 B14R2.50 O=C1CCCCC1OC2CCSC2 7a_100011232664_100000204591 [0,0,0,2,0,0|2,0,0]=4 25876 B14R2.50 O=C1CCCCC1O[C@H]2CCOC2 34a_100000717292_100000754470 [0,0,0,2,0,0|2,0,0]=4 25877 B14R2.50 O=C1CCCCC1SC2CCCC2 62a_100000204591_100000179811 [0,0,0,2,0,0|1,0,0]=3 25878 B14R2.50 O=C1CCCCC1SC2CCCC2 62a_100011217020_100000204591 [0,0,0,2,0,0|1,0,0]=3 25879 B14R2.50 O=C1CCCCC1SC2CCOC2 62a_100000204591_100000690089 [0,0,0,2,0,0|2,0,0]=4 25880 B14R2.50 O=C1CCOCC1NC2CCCC2 34a_100000211070_100012180262 [0,0,0,2,0,0|2,0,0]=4 25881 B14R2.50 O=C1CCOCC1OC2CCCC2 34a_100000210269_100012180262 [0,0,0,2,0,0|2,0,0]=4 25882 B14R2.50 O=C1CCOCC1OC2CCCC2 7a_100000210269_100012180262 [0,0,0,2,0,0|2,0,0]=4 25883 B14R2.50 O=C1CCOCC1SC2CCCC2 62a_100011217020_100012180262 [0,0,0,2,0,0|2,0,0]=4 25884 B14R2.50 O=C1CCOCC1SC2CCCC2 62a_100012180262_100000179811 [0,0,0,2,0,0|2,0,0]=4 25885 B14R2.50 O=C1NCCCC1NC2CCCC2 2230a_100000211070_100000687798 [0,0,0,2,0,0|2,0,0]=4 25886 B14R2.50 O=C1NCCCC1NC2CCCC2 2230a_100000747585_100000179811 [0,0,0,2,0,0|2,0,0]=4 25887 B14R2.50 O=C1NCCCC1NC2CCCC2 270004a_100000747585_100000210133 [0,0,0,2,0,0|2,0,0]=4 25888 B14R2.50 O=C1NCCCC1NC2CCCC2 34a_100000211070_100000687798 [0,0,0,2,0,0|2,0,0]=4 25889 B14R2.50 O=C1NCCCC1NC2CCCC2 34a_100000747585_100000179811 [0,0,0,2,0,0|2,0,0]=4 25890 B14R2.50 O=C1NCCCC1OC2CCCC2 34a_100000073722_100000179811 [0,0,0,2,0,0|2,0,0]=4 25891 B14R2.50 O=C1NCCCC1OC2CCCC2 34a_100000210269_100000687798 [0,0,0,2,0,0|2,0,0]=4 25892 B14R2.50 O=C1NCCCC1OC2CCCC2 7a_100000210269_100000687798 [0,0,0,2,0,0|2,0,0]=4 25893 B14R2.50 O=C1NCCCC1SC2CCCC2 62a_100000687798_100000179811 [0,0,0,2,0,0|2,0,0]=4 25894 B14R2.50 O=C1NCCCC1SC2CCCC2 62a_100011217020_100000687798 [0,0,0,2,0,0|2,0,0]=4 25895 B14R2.245 C=CCN1CCCC1C2CCCC2 2230a_100000743374_100000210623 [0,0,0,2,0,0|2,0,0]=4 25896 B14R2.245 C=CCN1CCCC1C2CCCC2 269982a_100000743374_100000210623 [0,0,0,2,0,0|2,0,0]=4 25897 B14R2.245 C=CCN1CCCC1C2CCCC2 34a_100000743374_100015514636 [0,0,0,2,0,0|2,0,0]=4 25898 B14R2.245 O=CCN1CCCC1C2CCCC2 2230a_100000743374_200015260668 [0,0,0,2,0,0|1,0,0]=3 25899 B14R2.245 O=CCN1CCCC1C2CCCC2 269982a_100000743374_200015260668 [0,0,0,2,0,0|1,0,0]=3 25900 B14R2.245 O=CCN1CCCC1C2CCCC2 34a_100000743374_200009817547 [0,0,0,2,0,0|1,0,0]=3 25901 B14R2.384 O=C1CCCC1NCC2CCCC2 2230a_100000737975_100000211823 [0,0,0,2,0,0|1,0,0]=3 25902 B14R2.384 O=C1CCCC1NCC2CCCC2 34a_100000737975_100000709159 [0,0,0,2,0,0|1,0,0]=3 25903 B14R2.384 O=C1CCCC1NCC2CCOC2 2230a_100000737293_100000211823 [0,0,0,2,0,0|2,0,0]=4 25904 B14R2.384 O=C1CCCC1NCC2CCOC2 34a_100000737293_100000709159 [0,0,0,2,0,0|2,0,0]=4 25905 B14R2.384 O=C1CCCC1NC[C@@H]2CCCO2 2230a_100020590478_100000211823 [0,0,0,2,0,0|2,0,0]=4 25906 B14R2.384 O=C1CCCC1NC[C@@H]2CCCO2 34a_100020590478_100000709159 [0,0,0,2,0,0|2,0,0]=4 25907 B14R2.384 O=C1CCCC1OCC2CCCC2 34a_100000742336_100000709159 [0,0,0,2,0,0|1,0,0]=3 25908 B14R2.384 O=C1CCCC1OCC2CCCC2 34a_200000719330_100000740388 [0,0,0,2,0,0|1,0,0]=3 25909 B14R2.384 O=C1CCCC1OCC2CCCC2 7a_100000742336_100000211823 [0,0,0,2,0,0|1,0,0]=3 25910 B14R2.384 O=C1CCCC1OCC2CCCO2 34a_100000210270_100000709159 [0,0,0,2,0,0|2,0,0]=4 25911 B14R2.384 O=C1CCCC1OCC2CCCO2 7a_100000210270_100000211823 [0,0,0,2,0,0|2,0,0]=4 25912 B14R2.384 O=C1CCCC1OCC2CCNC2 34a_100000748654_100000709159 [0,0,0,2,0,0|2,0,0]=4 25913 B14R2.384 O=C1CCCC1OCC2CCOC2 34a_100000740260_100000709159 [0,0,0,2,0,0|2,0,0]=4 25914 B14R2.384 O=C1CCCC1OCC2CCOC2 34a_200000719330_100011261433 [0,0,0,2,0,0|2,0,0]=4 25915 B14R2.384 O=C1CCCC1OC[C@H]2CCCN2 34a_100000745186_100000709159 [0,0,0,2,0,0|2,0,0]=4 25916 B14R2.384 O=C1CCCC1SCC2CCCC2 62a_100000211823_100000740388 [0,0,0,2,0,0|1,0,0]=3 25917 B14R2.384 O=C1CCCC1SCC2CCCC2 62a_100000740388_100000211823 [0,0,0,2,0,0|1,0,0]=3 25918 B14R2.384 O=C1CCCC1SCC2CCCO2 62a_100000203698_100000211823 [0,0,0,2,0,0|2,0,0]=4 25919 B14R2.384 O=C1CCCC1SCC2CCCO2 62a_100000211823_100000203698 [0,0,0,2,0,0|2,0,0]=4 25920 B14R2.384 O=C1CCCC1SCC2CCOC2 62a_100000211823_100000702531 [0,0,0,2,0,0|2,0,0]=4 25921 B14R2.384 O=C1CCCC1SCC2CCOC2 62a_100000702531_100000211823 [0,0,0,2,0,0|2,0,0]=4 25922 B14R2.384 O=C1CCCN1CCN2CCCC2 2230a_100000188435_100000739059 [0,0,0,2,0,0|2,0,0]=4 25923 B14R2.384 O=C1CCCN1CCN2CCCC2 269982a_100000188435_100000739059 [0,0,0,2,0,0|2,0,0]=4 25924 B14R2.384 O=C1CCCN1CSC2CCCC2 62a_100000026320_100000179811 [0,0,0,2,0,0|2,0,0]=4 25925 B14R2.384 O=C1CCCN1CSC2CCCC2 62a_100011217020_100000026320 [0,0,0,2,0,0|2,0,0]=4 25926 B14R2.384 O=C1NCCC1COC2CCCC2 34a_100000133458_100000179811 [0,0,0,2,0,0|2,0,0]=4 25927 B14R2.384 O=C1NCCC1NCC2CCCC2 2230a_100016995588_100000740388 [0,0,0,2,0,0|2,0,0]=4 25928 B14R2.384 O=C1NCCC1NCC2CCCC2 34a_100016995588_100000740388 [0,0,0,2,0,0|2,0,0]=4 25929 B14R2.384 O=C1NCC[C@@H]1OCC2CCCC2 34a_100000688343_100000740388 [0,0,0,2,0,0|2,0,0]=4 25930 B14R2.384 O=C1OCCC1NCC2CCCC2 2230a_100000737975_100000211211 [0,0,0,2,0,0|2,0,0]=4 25931 B14R2.384 O=C1OCCC1NCC2CCCC2 34a_100000737975_100000211211 [0,0,0,2,0,0|2,0,0]=4 25932 B14R2.384 O=C1OCCC1OCC2CCCC2 34a_100000742336_100000211211 [0,0,0,2,0,0|2,0,0]=4 25933 B14R2.384 O=C1OCCC1OCC2CCCC2 7a_100000742336_100000211211 [0,0,0,2,0,0|2,0,0]=4 25934 B14R2.384 O=C1OCCC1SCC2CCCC2 62a_100000211211_100000740388 [0,0,0,2,0,0|2,0,0]=4 25935 B14R2.384 O=C1OCCC1SCC2CCCC2 62a_100000740388_100000211211 [0,0,0,2,0,0|2,0,0]=4 25936 B14R2.726 O=C1CCC1CCNC2CCCC2 2230a_100000211070_200016118888 [0,0,0,2,0,0|1,0,0]=3 25937 B14R2.726 O=C1CCC1CCN[C@@H]2CCOC2 2230a_200015188469_200016118888 [0,0,0,2,0,0|2,0,0]=4 25938 B14R2.726 O=C1CCC1CCN[C@H]2CCOC2 2230a_100015188467_200016118888 [0,0,0,2,0,0|2,0,0]=4 25939 B14R2.726 O=C1CCC1CCOC2CCCC2 7a_100000210269_200016118888 [0,0,0,2,0,0|1,0,0]=3 25940 B14R2.726 O=C1CCC1CCOC2CCSC2 7a_100011232664_200016118888 [0,0,0,2,0,0|2,0,0]=4 25941 B14R2.726 O=C1CCC1CCSC2CCCC2 62a_100011217020_200016118888 [0,0,0,2,0,0|1,0,0]=3 25942 B14R2.726 O=C1CCC1CCSC2CCCC2 62a_200016118888_100000179811 [0,0,0,2,0,0|1,0,0]=3 25943 B14R2.726 O=C1CCC1CCSC2CCOC2 62a_200016118888_100000690089 [0,0,0,2,0,0|2,0,0]=4 25944 B14R2.726 O=C1CCC1NCCC2CCCC2 34a_100000739158_100009892977 [0,0,0,2,0,0|1,0,0]=3 25945 B14R2.726 O=C1CCC1OCCC2CCCC2 34a_100000749090_100009892977 [0,0,0,2,0,0|1,0,0]=3 25946 B14R2.726 O=C1CCC1OCCC2CCCC2 7a_100000749090_100009892977 [0,0,0,2,0,0|1,0,0]=3 25947 B14R2.726 O=C1CCC1OCCC2CCNC2 34a_100016987287_100009892977 [0,0,0,2,0,0|2,0,0]=4 25948 B14R2.726 O=C1CCC1OCCC2CCOC2 34a_100011879284_100009892977 [0,0,0,2,0,0|2,0,0]=4 25949 B14R2.726 O=C1CCC1SCCC2CCCC2 62a_100000760354_100009892977 [0,0,0,2,0,0|1,0,0]=3 25950 B14R2.726 O=C1CCC1SCCC2CCCC2 62a_100009892977_100000760354 [0,0,0,2,0,0|1,0,0]=3 25951 B14R2.726 O=C1CCC1SCCN2CCCC2 62a_100000700749_100009892977 [0,0,0,2,0,0|2,0,0]=4 25952 B14R2.726 O=C1CCC1SCCN2CCCC2 62a_100009892977_100000004467 [0,0,0,2,0,0|2,0,0]=4 25953 B14R2.9707 C=CCCCCN1CC2CCC1C2 2230a_100000743476_100011215482 [0,0,0,2,0,0|2,0,0]=4 25954 B14R2.9707 C=CCCCCN1CC2CCC1C2 269982a_100000743476_100011215482 [0,0,0,2,0,0|2,0,0]=4 25955 B14R2.9707 C=CCCCCN1CC2CCC1C2 34a_100000743476_100011215482 [0,0,0,2,0,0|2,0,0]=4 25956 B14R2.9707 C=CCCCNC1CC2CCC1C2 2230a_100000758229_100011713584 [0,0,0,2,0,0|2,0,0]=4 25957 B14R2.9707 C=CCCCNC1CC2CCC1C2 269862a_100000700776_100000223372 [0,0,0,2,0,0|2,0,0]=4 25958 B14R2.9707 C=CCCCNC1CC2CCC1C2 270004a_100000700776_100000223372 [0,0,0,2,0,0|2,0,0]=4 25959 B14R2.9707 C=CCCCNC1CC2CCC1C2 34a_100000700776_100000727232 [0,0,0,2,0,0|2,0,0]=4 25960 B14R2.9707 C=CCCCNC1CC2CCC1C2 34a_100000758229_100000757094 [0,0,0,2,0,0|2,0,0]=4 25961 B14R2.9707 C=CCCCOC1CC2CCC1C2 34a_100000211339_100000757094 [0,0,0,2,0,0|2,0,0]=4 25962 B14R2.9707 C=CCCCOC1CC2CCC1C2 34a_100000758997_100000727232 [0,0,0,2,0,0|2,0,0]=4 25963 B14R2.9707 C=CCCCSC1CC2CCC1C2 62a_100000727232_100000757094 [0,0,0,2,0,0|2,0,0]=4 25964 B14R2.9707 C=CCCCSC1CC2CCC1C2 62a_100011713584_100000727232 [0,0,0,2,0,0|2,0,0]=4 25965 B14R2.9707 C=CCCNCC1CC2CCC1C2 269862a_100015191253_100000697602 [0,0,0,2,0,0|2,0,0]=4 25966 B14R2.9707 C=CCCNCC1CC2CCC1C2 270004a_100015191253_100000697602 [0,0,0,2,0,0|2,0,0]=4 25967 B14R2.9707 C=CCCOCC1CC2CCC1C2 34a_100000229996_100000754431 [0,0,0,2,0,0|2,0,0]=4 25968 B14R2.9707 CCCCCCN1CC2C=CC1C2 2230a_100000732668_100000210314 [0,0,0,2,0,0|2,0,0]=4 25969 B14R2.9707 CCCCCCN1CC2C=CC1C2 269982a_100000732668_100000210757 [0,0,0,2,0,0|2,0,0]=4 25970 B14R2.9707 CCCCCCN1CC2C=CC1C2 34a_100000732668_100000210314 [0,0,0,2,0,0|2,0,0]=4 25971 B14R2.9707 CCCCCOC1CC2C=CC1C2 34a_100000043678_100000718602 [0,0,0,2,0,0|2,0,0]=4 25972 B14R2.9707 CCCCNCC1CC2C=CC1C2 2230a_100000102301_200009814271 [0,0,0,2,0,0|2,0,0]=4 25973 B14R2.9707 CCCCNCC1CC2C=CC1C2 2230a_100000189500_100000210211 [0,0,0,2,0,0|2,0,0]=4 25974 B14R2.9707 CCCCNCC1CC2C=CC1C2 34a_100000189500_100000210210 [0,0,0,2,0,0|2,0,0]=4 25975 B14R2.9707 CCCCNCC1CC2C=CC1C2 7a_106832991798_100000139495 [0,0,0,2,0,0|2,0,0]=4 25976 B14R2.9707 CCCCOCC1CC2C=CC1C2 34a_100000210227_200009814271 [0,0,0,2,0,0|2,0,0]=4 25977 B14R2.9707 CCCCOCC1CC2C=CC1C2 34a_100011215361_100000210210 [0,0,0,2,0,0|2,0,0]=4 25978 B14R2.9707 CCCCOCC1CC2C=CC1C2 7a_100000210227_100000139495 [0,0,0,2,0,0|2,0,0]=4 25979 B14R2.9707 CCCCSCC1CC2C=CC1C2 62a_100000139495_100000210210 [0,0,0,2,0,0|2,0,0]=4 25980 B14R2.9707 CCCCSCC1CC2C=CC1C2 62a_100000210211_100000139495 [0,0,0,2,0,0|2,0,0]=4 25981 B14R2.9707 O=CCCCCN1CC2CCC1C2 2230a_100000743476_100000139335 [0,0,0,2,0,0|1,0,0]=3 25982 B14R2.9707 O=CCCCCN1CC2CCC1C2 269982a_100000743476_100000139335 [0,0,0,2,0,0|1,0,0]=3 25983 B14R2.9707 O=CCCCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000139335 [0,0,0,2,0,0|2,0,0]=4 25984 B14R2.9707 O=CCCCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000139335 [0,0,0,2,0,0|2,0,0]=4 25985 B14R2.9707 O=CCCCNC1CC2CCC1C2 2230a_100000758229_200011292268 [0,0,0,2,0,0|1,0,0]=3 25986 B14R2.9707 O=CCCCSC1CC2CCC1C2 62a_100000727232_200011292268 [0,0,0,2,0,0|1,0,0]=3 25987 B14R2.9707 O=CCCCSC1CC2CCC1C2 62a_200011292268_100000727232 [0,0,0,2,0,0|1,0,0]=3 25988 B14R2.9707 O=CCOCCN1CC2CCC1C2 34a_200011499663_200009817547 [0,0,0,2,0,0|2,0,0]=4 25989 B14R2.170 CCC1CCCN1C2CCCC2=O 2230a_100000754278_100000211823 [0,0,0,2,0,0|1,0,0]=3 25990 B14R2.170 CCC1CCCN1C2CCCC2=O 269982a_100000754278_100000211823 [0,0,0,2,0,0|1,0,0]=3 25991 B14R2.170 CCC1CCCN1C2CCCC2=O 34a_100000754278_100000709159 [0,0,0,2,0,0|1,0,0]=3 25992 B14R2.170 CCC1CCCN1C2CCOC2=O 2230a_100000754278_100000211211 [0,0,0,2,0,0|2,0,0]=4 25993 B14R2.170 CCC1CCCN1C2CCOC2=O 269982a_100000754278_100000211211 [0,0,0,2,0,0|2,0,0]=4 25994 B14R2.170 CCC1CCCN1C2CCOC2=O 34a_100000754278_100000211211 [0,0,0,2,0,0|2,0,0]=4 25995 B14R2.170 O=C1CCCC1N2CCC[C@@H]2CO 2230a_100000745186_100000211823 [0,0,0,2,0,0|2,0,0]=4 25996 B14R2.170 O=C1CCCC1N2CCC[C@@H]2CO 269982a_100000745186_100000211823 [0,0,0,2,0,0|2,0,0]=4 25997 B14R2.170 O=C1CCCC1N2CCC[C@@H]2CO 34a_100000745186_100000709159 [0,0,0,2,0,0|2,0,0]=4 25998 B14R2.332 C=CCCCCN1CCCC12CC2 2230a_100020620911_100011215482 [0,0,0,2,0,0|2,0,0]=4 25999 B14R2.332 C=CCCCCN1CCCC12CC2 269982a_100020620911_100011215482 [0,0,0,2,0,0|2,0,0]=4 26000 B14R2.332 C=CCCCCN1CCCC12CC2 34a_100020620911_100011215482 [0,0,0,2,0,0|2,0,0]=4 26001 B14R2.332 C=CCCCNC1CCCC12CC2 269862a_100000700776_100009881796 [0,0,0,2,0,0|2,0,0]=4 26002 B14R2.332 O=CCCCCN1CCCC12CC2 2230a_100020620911_100000139335 [0,0,0,2,0,0|1,0,0]=3 26003 B14R2.332 O=CCCCCN1CCCC12CC2 269982a_100020620911_100000139335 [0,0,0,2,0,0|1,0,0]=3 26004 B14R2.808 CC1C2CCCN2CCN1CC=O 2230a_200000066283_200015260668 [0,0,0,2,0,0|2,0,0]=4 26005 B14R2.808 CC1C2CCCN2CCN1CC=O 269982a_200000066283_200015260668 [0,0,0,2,0,0|2,0,0]=4 26006 B14R2.808 CC1C2CCCN2CCN1CC=O 34a_200000066283_200009817547 [0,0,0,2,0,0|2,0,0]=4 26007 B14R2.991 C=CCOC1CCC2CCCC2C1 34a_100000073670_100015514636 [0,0,0,2,0,0|2,0,0]=4 26008 B14R2.991 C=CCOC1CCC2CCCC2C1 7a_100000073670_100015514636 [0,0,0,2,0,0|2,0,0]=4 26009 B14R2.991 O=CCOC1CCC2CCCC2C1 34a_100000073670_200009817547 [0,0,0,2,0,0|1,0,0]=3 26010 B14R2.991 O=CCOC1CCC2CCCC2C1 7a_100000073670_200015260668 [0,0,0,2,0,0|1,0,0]=3 26011 B14R2.492 COCC1CCN1C2CCCC2=O 2230a_100015195929_100000211823 [0,0,0,2,0,0|2,0,0]=4 26012 B14R2.492 COCC1CCN1C2CCCC2=O 269982a_100015195929_100000211823 [0,0,0,2,0,0|2,0,0]=4 26013 B14R2.492 COCC1CCN1C2CCCC2=O 34a_100015195929_100000709159 [0,0,0,2,0,0|2,0,0]=4 26014 B14R2.20741 O=CCCCCN1CCC12COC2 2230a_100015204706_100000139335 [0,0,0,2,0,0|2,0,0]=4 26015 B14R2.20741 O=CCCCCN1CCC12COC2 269982a_100015204706_100000139335 [0,0,0,2,0,0|2,0,0]=4 26016 B14R2.583 CC1CN2CCCC2CN1CC=O 2230a_200159271516_200015260668 [0,0,0,2,0,0|2,0,0]=4 26017 B14R2.583 CC1CN2CCCC2CN1CC=O 269982a_200159271516_200015260668 [0,0,0,2,0,0|2,0,0]=4 26018 B14R2.583 CC1CN2CCCC2CN1CC=O 34a_200159271516_200009817547 [0,0,0,2,0,0|2,0,0]=4 26019 B14R2.67 C=CCCN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100000754431 [0,0,0,2,0,0|2,0,0]=4 26020 B14R2.67 C=CCCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000754431 [0,0,0,2,0,0|2,0,0]=4 26021 B14R2.67 C=CCCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100000754431 [0,0,0,2,0,0|2,0,0]=4 26022 B14R2.294 CC1CC1COC2CCCCC2=O 34a_100000744939_100000754470 [0,0,0,2,0,0|1,0,0]=3 26023 B14R2.294 CC1CC1COC2CCCCC2=O 7a_100000744939_100000204591 [0,0,0,2,0,0|1,0,0]=3 26024 B14R2.294 CC1CC1COC2CCCNC2=O 34a_100000744939_100000687798 [0,0,0,2,0,0|2,0,0]=4 26025 B14R2.294 CC1CC1COC2CCCNC2=O 7a_100000744939_100000687798 [0,0,0,2,0,0|2,0,0]=4 26026 B14R2.294 CC1CC1COC2COCCC2=O 34a_100000744939_100012180262 [0,0,0,2,0,0|2,0,0]=4 26027 B14R2.294 CC1CC1COC2COCCC2=O 7a_100000744939_100012180262 [0,0,0,2,0,0|2,0,0]=4 26028 B14R2.296 CC1CCCCN1C2CCCC2=O 2230a_100000211376_100000211823 [0,0,0,2,0,0|1,0,0]=3 26029 B14R2.296 CC1CCCCN1C2CCCC2=O 269982a_100000211376_100000211823 [0,0,0,2,0,0|1,0,0]=3 26030 B14R2.296 CC1CCCCN1C2CCCC2=O 34a_100000211376_100000709159 [0,0,0,2,0,0|1,0,0]=3 26031 B14R2.296 CC1CCCCN1C2CCOC2=O 2230a_100000211376_100000211211 [0,0,0,2,0,0|2,0,0]=4 26032 B14R2.296 CC1CCCCN1C2CCOC2=O 269982a_100000211376_100000211211 [0,0,0,2,0,0|2,0,0]=4 26033 B14R2.296 CC1CCCCN1C2CCOC2=O 34a_100000211376_100000211211 [0,0,0,2,0,0|2,0,0]=4 26034 B14R2.296 CC1SCCN1C2CCCCC2=O 269982a_200011216479_100000204591 [0,0,0,2,0,0|2,0,0]=4 26035 B14R2.296 CC1SCCN1C2CCCCC2=O 34a_200011216479_100000754470 [0,0,0,2,0,0|2,0,0]=4 26036 B14R2.296 C[C@@H]1CCCN1C2CCCCC2=O 269982a_100015189458_100000204591 [0,0,0,2,0,0|1,0,0]=3 26037 B14R2.296 C[C@@H]1CCCN1C2CCCCC2=O 34a_100015189458_100000754470 [0,0,0,2,0,0|1,0,0]=3 26038 B14R2.296 C[C@@H]1CCCN1C2CCCNC2=O 2230a_100015189458_100000687798 [0,0,0,2,0,0|2,0,0]=4 26039 B14R2.296 C[C@@H]1CCCN1C2CCCNC2=O 269982a_100015189458_100000687798 [0,0,0,2,0,0|2,0,0]=4 26040 B14R2.296 C[C@@H]1CCCN1C2CCCNC2=O 34a_100015189458_100000687798 [0,0,0,2,0,0|2,0,0]=4 26041 B14R2.296 C[C@@H]1CCCN1C2COCCC2=O 34a_100015189458_100012180262 [0,0,0,2,0,0|2,0,0]=4 26042 B14R2.296 C[C@H]1CCCN1C2CCCCC2=O 269982a_100020605311_100000204591 [0,0,0,2,0,0|1,0,0]=3 26043 B14R2.296 C[C@H]1CCCN1C2CCCNC2=O 2230a_100020605311_100000687798 [0,0,0,2,0,0|2,0,0]=4 26044 B14R2.296 C[C@H]1CCCN1C2CCCNC2=O 269982a_100020605311_100000687798 [0,0,0,2,0,0|2,0,0]=4 26045 B14R2.296 C[C@H]1COCCN1C2CCCC2=O 2230a_100009815349_100000211823 [0,0,0,2,0,0|2,0,0]=4 26046 B14R2.296 C[C@H]1COCCN1C2CCCC2=O 269982a_100009815349_100000211823 [0,0,0,2,0,0|2,0,0]=4 26047 B14R2.296 C[C@H]1COCCN1C2CCCC2=O 34a_100009815349_100000709159 [0,0,0,2,0,0|2,0,0]=4 26048 B14R2.662 CC1CCCCC1NC2CCC2=O 34a_100000211402_100009892977 [0,0,0,2,0,0|1,0,0]=3 26049 B14R2.662 CC1CCCCC1OC2CCC2=O 34a_100000211207_100009892977 [0,0,0,2,0,0|1,0,0]=3 26050 B14R2.662 CC1CCCCC1OC2CCC2=O 7a_100000211207_100009892977 [0,0,0,2,0,0|1,0,0]=3 26051 B14R2.662 CC1CCNCC1OC2CCC2=O 34a_100000696640_100009892977 [0,0,0,2,0,0|2,0,0]=4 26052 B14R2.662 CC1CNCCC1OC2CCC2=O 34a_100011998114_100009892977 [0,0,0,2,0,0|2,0,0]=4 26053 B14R2.662 N[C@@H]1CCCC[C@@H]1OC2CCC2=O 34a_100015191688_100009892977 [0,0,0,2,0,0|2,0,0]=4 26054 B14R2.662 O=C1CCC1N[C@@H]2CCCC[C@H]2F 34a_100015195156_100009892977 [0,0,0,2,0,0|2,0,0]=4 26055 B14R2.662 O=C1CCC1OC2CCCCC2Cl 34a_100000038908_100009892977 [0,0,0,2,0,0|2,0,0]=4 26056 B14R2.662 O=C1CCC1OC2CCCCC2Cl 7a_100000038908_100009892977 [0,0,0,2,0,0|2,0,0]=4 26057 B14R2.662 O=C1CCC1O[C@@H]2CCCC[C@H]2F 34a_100009816020_100009892977 [0,0,0,2,0,0|2,0,0]=4 26058 B14R2.662 O=C1CCC1O[C@@H]2CCCC[C@H]2F 7a_100009816020_100009892977 [0,0,0,2,0,0|2,0,0]=4 26059 B14R2.662 O=C1CCC1SC2CCCCC2F 62a_100009892977_100015423560 [0,0,0,2,0,0|2,0,0]=4 26060 B14R2.662 O=C1CCC1SC2CCCCC2F 62a_100015423560_100009892977 [0,0,0,2,0,0|2,0,0]=4 26061 B14R2.662 O=C1CCC1SC2CCCCC2O 62a_100000038908_100009892977 [0,0,0,2,0,0|2,0,0]=4 26062 B14R2.662 O=C1CCC1SC2CCCCC2O 62a_100009892977_100000038908 [0,0,0,2,0,0|2,0,0]=4 26063 B14R2.4622 O=C1CCCCC1COCC2CC2 34a_100009861125_100000742324 [0,0,0,2,0,0|1,0,0]=3 26064 B14R2.4622 O=C1CCCCC1COCC2CC2 7a_100009861125_100000742324 [0,0,0,2,0,0|1,0,0]=3 26065 B14R2.4622 O=C1CCCCC1COCC2CO2 34a_100009861125_102125554688 [0,0,0,2,0,0|2,0,0]=4 26066 B14R2.4622 O=C1CCCCC1COCC2CO2 7a_100009861125_102125554688 [0,0,0,2,0,0|2,0,0]=4 26067 B14R2.4622 O=C1CCCCC1COCC2CS2 7a_100009861125_100000031435 [0,0,0,2,0,0|2,0,0]=4 26068 B14R2.4622 O=C1CCCCC1COC[C@@H]2CO2 7a_100009861125_100000745022 [0,0,0,2,0,0|2,0,0]=4 26069 B14R2.4622 O=C1CCCCC1NCCC2CC2 34a_100000764129_100000754470 [0,0,0,2,0,0|1,0,0]=3 26070 B14R2.4622 O=C1CCCCC1OCCC2CC2 34a_100000754188_100000754470 [0,0,0,2,0,0|1,0,0]=3 26071 B14R2.4622 O=C1CCCCC1OCCC2CC2 34a_100011214950_100000694398 [0,0,0,2,0,0|1,0,0]=3 26072 B14R2.4622 O=C1CCCCC1OCCC2CC2 7a_100000754188_100000204591 [0,0,0,2,0,0|1,0,0]=3 26073 B14R2.4622 O=C1CCCCC1OCCC2CO2 34a_100011214950_100000732470 [0,0,0,2,0,0|2,0,0]=4 26074 B14R2.4622 O=C1CCCCC1OCC[C@@H]2CO2 34a_100009820653_100000754470 [0,0,0,2,0,0|2,0,0]=4 26075 B14R2.4622 O=C1CCCCC1SCCC2CC2 62a_100000204591_100000764125 [0,0,0,2,0,0|1,0,0]=3 26076 B14R2.4622 O=C1CCCCC1SCCC2CC2 62a_100000764125_100000204591 [0,0,0,2,0,0|1,0,0]=3 26077 B14R2.4622 O=C1CCCCC1SCCC2CO2 62a_100000204591_100000732470 [0,0,0,2,0,0|2,0,0]=4 26078 B14R2.4622 O=C1CCCCC1SCCC2CO2 62a_100000732470_100000204591 [0,0,0,2,0,0|2,0,0]=4 26079 B14R2.4622 O=C1CCCCN1CCNC2CC2 34a_100160573077_100000211595 [0,0,0,2,0,0|2,0,0]=4 26080 B14R2.4622 O=C1CCOCC1NCCC2CC2 34a_100000764129_100012180262 [0,0,0,2,0,0|2,0,0]=4 26081 B14R2.4622 O=C1CCOCC1OCCC2CC2 34a_100000754188_100012180262 [0,0,0,2,0,0|2,0,0]=4 26082 B14R2.4622 O=C1CCOCC1OCCC2CC2 7a_100000754188_100012180262 [0,0,0,2,0,0|2,0,0]=4 26083 B14R2.4622 O=C1CCOCC1SCCC2CC2 62a_100000764125_100012180262 [0,0,0,2,0,0|2,0,0]=4 26084 B14R2.4622 O=C1CCOCC1SCCC2CC2 62a_100012180262_100000764125 [0,0,0,2,0,0|2,0,0]=4 26085 B14R2.4622 O=C1NCCCC1NCCC2CC2 2230a_100000747585_100000694398 [0,0,0,2,0,0|2,0,0]=4 26086 B14R2.4622 O=C1NCCCC1NCCC2CC2 34a_100000747585_100000694398 [0,0,0,2,0,0|2,0,0]=4 26087 B14R2.4622 O=C1NCCCC1NCCC2CC2 34a_100000764129_100000687798 [0,0,0,2,0,0|2,0,0]=4 26088 B14R2.4622 O=C1NCCCC1OCCC2CC2 34a_100000073722_100000694398 [0,0,0,2,0,0|2,0,0]=4 26089 B14R2.4622 O=C1NCCCC1OCCC2CC2 34a_100000754188_100000687798 [0,0,0,2,0,0|2,0,0]=4 26090 B14R2.4622 O=C1NCCCC1OCCC2CC2 7a_100000754188_100000687798 [0,0,0,2,0,0|2,0,0]=4 26091 B14R2.4622 O=C1NCCCC1SCCC2CC2 62a_100000687798_100000764125 [0,0,0,2,0,0|2,0,0]=4 26092 B14R2.4622 O=C1NCCCC1SCCC2CC2 62a_100000764125_100000687798 [0,0,0,2,0,0|2,0,0]=4 26093 B14R2.4634 O=C1CCCCC1COC2CCC2 34a_100009861125_100000749161 [0,0,0,2,0,0|1,0,0]=3 26094 B14R2.4634 O=C1CCCCC1COC2COC2 34a_100009861125_100009818527 [0,0,0,2,0,0|2,0,0]=4 26095 B14R2.4634 O=C1CCCCC1COC2COC2 7a_100009861125_100009818527 [0,0,0,2,0,0|2,0,0]=4 26096 B14R2.4634 O=C1CCCCC1NCC2CCC2 34a_100000738700_100000754470 [0,0,0,2,0,0|1,0,0]=3 26097 B14R2.4634 O=C1CCCCC1NCC2COC2 34a_100015281925_100000754470 [0,0,0,2,0,0|2,0,0]=4 26098 B14R2.4634 O=C1CCCCC1NC[C@@H]2CCO2 34a_100020831831_100000754470 [0,0,0,2,0,0|2,0,0]=4 26099 B14R2.4634 O=C1CCCCC1OCC2CCC2 34a_100000760304_100000754470 [0,0,0,2,0,0|1,0,0]=3 26100 B14R2.4634 O=C1CCCCC1OCC2CCC2 34a_100011214950_100000763275 [0,0,0,2,0,0|1,0,0]=3 26101 B14R2.4634 O=C1CCCCC1OCC2CCO2 34a_100000039022_100000754470 [0,0,0,2,0,0|2,0,0]=4 26102 B14R2.4634 O=C1CCCCC1OCC2CCO2 34a_100011214950_100000103362 [0,0,0,2,0,0|2,0,0]=4 26103 B14R2.4634 O=C1CCCCC1OCC2CNC2 34a_100016987283_100000754470 [0,0,0,2,0,0|2,0,0]=4 26104 B14R2.4634 O=C1CCCCC1OCC2COC2 34a_100000060846_100000754470 [0,0,0,2,0,0|2,0,0]=4 26105 B14R2.4634 O=C1CCCCC1OCC2COC2 34a_100011214950_100010264016 [0,0,0,2,0,0|2,0,0]=4 26106 B14R2.4634 O=C1CCCCC1SCC2CCC2 62a_100000204591_100000763275 [0,0,0,2,0,0|1,0,0]=3 26107 B14R2.4634 O=C1CCCCC1SCC2CCC2 62a_100000763275_100000204591 [0,0,0,2,0,0|1,0,0]=3 26108 B14R2.4634 O=C1CCCCC1SCC2CCO2 62a_100000103362_100000204591 [0,0,0,2,0,0|2,0,0]=4 26109 B14R2.4634 O=C1CCCCC1SCC2CCO2 62a_100000204591_100000103362 [0,0,0,2,0,0|2,0,0]=4 26110 B14R2.4634 O=C1CCCCC1SCC2COC2 62a_100000204591_100010264016 [0,0,0,2,0,0|2,0,0]=4 26111 B14R2.4634 O=C1CCCCC1SCC2COC2 62a_100010264016_100000204591 [0,0,0,2,0,0|2,0,0]=4 26112 B14R2.4634 O=C1CCOCC1NCC2CCC2 34a_100000738700_100012180262 [0,0,0,2,0,0|2,0,0]=4 26113 B14R2.4634 O=C1CCOCC1OCC2CCC2 34a_100000760304_100012180262 [0,0,0,2,0,0|2,0,0]=4 26114 B14R2.4634 O=C1CCOCC1SCC2CCC2 62a_100000763275_100012180262 [0,0,0,2,0,0|2,0,0]=4 26115 B14R2.4634 O=C1CCOCC1SCC2CCC2 62a_100012180262_100000763275 [0,0,0,2,0,0|2,0,0]=4 26116 B14R2.4634 O=C1NCCCC1NCC2CCC2 2230a_100000738700_100000687798 [0,0,0,2,0,0|2,0,0]=4 26117 B14R2.4634 O=C1NCCCC1NCC2CCC2 2230a_100000747585_100000763275 [0,0,0,2,0,0|2,0,0]=4 26118 B14R2.4634 O=C1NCCCC1NCC2CCC2 34a_100000738700_100000687798 [0,0,0,2,0,0|2,0,0]=4 26119 B14R2.4634 O=C1NCCCC1NCC2CCC2 34a_100000747585_100000763275 [0,0,0,2,0,0|2,0,0]=4 26120 B14R2.4634 O=C1NCCCC1OCC2CCC2 34a_100000073722_100000763275 [0,0,0,2,0,0|2,0,0]=4 26121 B14R2.4634 O=C1NCCCC1OCC2CCC2 34a_100000760304_100000687798 [0,0,0,2,0,0|2,0,0]=4 26122 B14R2.4634 O=C1NCCCC1SCC2CCC2 62a_100000687798_100000763275 [0,0,0,2,0,0|2,0,0]=4 26123 B14R2.4634 O=C1NCCCC1SCC2CCC2 62a_100000763275_100000687798 [0,0,0,2,0,0|2,0,0]=4 26124 B14R2.36014 C=CCCCNC1CCCC2C1C2 269862a_100000700776_100000697651 [0,0,0,2,0,0|2,0,0]=4 26125 B14R2.406 CC1CC1COCCC2CCC2=O 7a_100000744939_200016118888 [0,0,0,2,0,0|1,0,0]=3 26126 B14R2.5216 O=C1CCCC1OCCC2COC2 34a_100009855314_100000709159 [0,0,0,2,0,0|2,0,0]=4 26127 B14R2.5216 O=C1CCCN1CCNC2CCC2 2230a_100000749019_100000739059 [0,0,0,2,0,0|2,0,0]=4 26128 B14R2.5216 O=C1CCCN1CCNC2CCC2 270004a_100011200922_100000241760 [0,0,0,2,0,0|2,0,0]=4 26129 B14R2.5216 O=C1CCCN1CCNC2CCC2 34a_100000749019_100000739059 [0,0,0,2,0,0|2,0,0]=4 26130 B14R2.5216 O=C1CCCN1CCOC2CCC2 34a_100000211209_100000749161 [0,0,0,2,0,0|2,0,0]=4 26131 B14R2.5216 O=C1CCCN1CCOC2CCC2 34a_100000748187_100000739059 [0,0,0,2,0,0|2,0,0]=4 26132 B14R2.5216 O=C1CCCN1CCSC2CCC2 62a_100000739059_100000749161 [0,0,0,2,0,0|2,0,0]=4 26133 B14R2.5216 O=C1CCCN1CSCC2CCC2 62a_100000026320_100000763275 [0,0,0,2,0,0|2,0,0]=4 26134 B14R2.5216 O=C1CCCN1CSCC2CCC2 62a_100000763275_100000026320 [0,0,0,2,0,0|2,0,0]=4 26135 B14R2.5216 O=C1NCCC1COCC2CCC2 34a_100000133458_100000763275 [0,0,0,2,0,0|2,0,0]=4 26136 B14R2.5515 O=C1CCC1CCNCC2CCC2 2230a_100000738700_200016118888 [0,0,0,2,0,0|1,0,0]=3 26137 B14R2.5515 O=C1CCC1CCNCC2COC2 2230a_100015281925_200016118888 [0,0,0,2,0,0|2,0,0]=4 26138 B14R2.5515 O=C1CCC1CCNC[C@@H]2CCO2 2230a_100020831831_200016118888 [0,0,0,2,0,0|2,0,0]=4 26139 B14R2.5515 O=C1CCC1CCSCC2CCC2 62a_100000763275_200016118888 [0,0,0,2,0,0|1,0,0]=3 26140 B14R2.5515 O=C1CCC1CCSCC2CCC2 62a_200016118888_100000763275 [0,0,0,2,0,0|1,0,0]=3 26141 B14R2.5515 O=C1CCC1CCSCC2CCO2 62a_100000103362_200016118888 [0,0,0,2,0,0|2,0,0]=4 26142 B14R2.5515 O=C1CCC1CCSCC2CCO2 62a_200016118888_100000103362 [0,0,0,2,0,0|2,0,0]=4 26143 B14R2.5515 O=C1CCC1CCSCC2COC2 62a_100010264016_200016118888 [0,0,0,2,0,0|2,0,0]=4 26144 B14R2.5515 O=C1CCC1CCSCC2COC2 62a_200016118888_100010264016 [0,0,0,2,0,0|2,0,0]=4 26145 B14R2.12804 C1=CC(CCCCC1)OC2CCC2 34a_100000688657_100000749161 [0,0,0,2,0,0|2,0,0]=4 26146 B14R2.144 C=CCCCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100011713584 [0,0,0,2,0,0|2,0,0]=4 26147 B14R2.144 C=CCCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000757094 [0,0,0,2,0,0|2,0,0]=4 26148 B14R2.144 C=CCCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000757094 [0,0,0,2,0,0|2,0,0]=4 26149 B14R2.144 O=CCCCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_200011292268 [0,0,0,2,0,0|1,0,0]=3 26150 B14R2.144 O=CCCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_200011292268 [0,0,0,2,0,0|1,0,0]=3 26151 B14R2.144 O=CCCCN1C[C@H]2COC[C@H]2C1 2230a_100000700037_200011292268 [0,0,0,2,0,0|2,0,0]=4 26152 B14R2.144 O=CCCCN1C[C@H]2COC[C@H]2C1 269982a_100000700037_200011292268 [0,0,0,2,0,0|2,0,0]=4 26153 B14R2.309 CC1CCCC1OC2CCCC2=O 34a_100011216460_100000709159 [0,0,0,2,0,0|1,0,0]=3 26154 B14R2.309 CC1CCCC1OC2CCCC2=O 7a_100011216460_100000211823 [0,0,0,2,0,0|1,0,0]=3 26155 B14R2.309 CC1CCCC1OC2CCOC2=O 34a_100011216460_100000211211 [0,0,0,2,0,0|2,0,0]=4 26156 B14R2.309 CC1CCCC1OC2CCOC2=O 7a_100011216460_100000211211 [0,0,0,2,0,0|2,0,0]=4 26157 B14R2.309 C[C@@H]1CCCN1CN2CCCC2=O 269982a_100015189458_100000026320 [0,0,0,2,0,0|2,0,0]=4 26158 B14R2.309 C[C@@H]1CNC[C@@H]1OC2CCCC2=O 34a_200015306588_100000709159 [0,0,0,2,0,0|2,0,0]=4 26159 B14R2.309 C[C@H]1CCCN1CN2CCCC2=O 269982a_100020605311_100000026320 [0,0,0,2,0,0|2,0,0]=4 26160 B14R2.309 N[C@H]1CCC[C@@H]1OC2CCCC2=O 34a_100000748460_100000709159 [0,0,0,2,0,0|2,0,0]=4 26161 B14R2.309 O=C1CCCC1O[C@@H]2CCC[C@H]2Cl 34a_200016002552_100000709159 [0,0,0,2,0,0|2,0,0]=4 26162 B14R2.309 O=C1CCCC1S[C@@H]2CCC[C@H]2O 62a_100000211823_200016002552 [0,0,0,2,0,0|2,0,0]=4 26163 B14R2.309 O=C1CCCC1S[C@@H]2CCC[C@H]2O 62a_200016002552_100000211823 [0,0,0,2,0,0|2,0,0]=4 26164 B14R2.319 CC1CCN1CCN2CCCC2=O 269982a_100000755817_100000739059 [0,0,0,2,0,0|2,0,0]=4 26165 B14R2.319 CC1CCN1CCN2CCCC2=O 34a_100000755817_100000739059 [0,0,0,2,0,0|2,0,0]=4 26166 B14R2.319 CC1SCCN1CCC2CCC2=O 2230a_200011216479_200016118888 [0,0,0,2,0,0|2,0,0]=4 26167 B14R2.319 CC1SCCN1CCC2CCC2=O 269982a_200011216479_200016118888 [0,0,0,2,0,0|2,0,0]=4 26168 B14R2.319 CN1CCCC1COC2CCC2=O 34a_100000743107_100009892977 [0,0,0,2,0,0|2,0,0]=4 26169 B14R2.319 C[C@@H]1CCCN1CCC2CCC2=O 2230a_100015189458_200016118888 [0,0,0,2,0,0|1,0,0]=3 26170 B14R2.319 C[C@@H]1CCCN1CCC2CCC2=O 269982a_100015189458_200016118888 [0,0,0,2,0,0|1,0,0]=3 26171 B14R2.319 C[C@H]1CCCN1CCC2CCC2=O 2230a_100020605311_200016118888 [0,0,0,2,0,0|1,0,0]=3 26172 B14R2.319 C[C@H]1CCCN1CCC2CCC2=O 269982a_100020605311_200016118888 [0,0,0,2,0,0|1,0,0]=3 26173 B14R2.3314 CN1C[C@@H]2C[C@H]1CN2CCCC=O 2230a_100025763010_200011292268 [0,0,0,2,0,0|2,0,0]=4 26174 B14R2.3314 CN1C[C@@H]2C[C@H]1CN2CCCC=O 269982a_100025763010_200011292268 [0,0,0,2,0,0|2,0,0]=4 26175 B14R2.4734 O=C1CCCC1OCCCC2CO2 34a_200000719330_100000733510 [0,0,0,2,0,0|2,0,0]=4 26176 B14R2.4734 O=C1CCCC1OCCNC2CC2 34a_100000738766_100000709159 [0,0,0,2,0,0|2,0,0]=4 26177 B14R2.4734 O=C1CCCC1SCCCC2CO2 62a_100000211823_100000733510 [0,0,0,2,0,0|2,0,0]=4 26178 B14R2.4734 O=C1CCCC1SCCCC2CO2 62a_100000733510_100000211823 [0,0,0,2,0,0|2,0,0]=4 26179 B14R2.4734 O=C1CCCN1CCCNC2CC2 34a_100000210347_100000211595 [0,0,0,2,0,0|2,0,0]=4 26180 B14R2.4734 O=C1CCCN1CCCOC2CC2 34a_100011216539_100000211595 [0,0,0,2,0,0|2,0,0]=4 26181 B14R2.4734 O=C1CCCN1CCNCC2CC2 2230a_100000735609_100000739059 [0,0,0,2,0,0|2,0,0]=4 26182 B14R2.4734 O=C1CCCN1CCNCC2CC2 2230a_100011200922_100000742324 [0,0,0,2,0,0|2,0,0]=4 26183 B14R2.4734 O=C1CCCN1CCNCC2CC2 269862a_100011200922_100000741477 [0,0,0,2,0,0|2,0,0]=4 26184 B14R2.4734 O=C1CCCN1CCNCC2CC2 34a_100000735609_100000739059 [0,0,0,2,0,0|2,0,0]=4 26185 B14R2.4734 O=C1CCCN1CCOCC2CC2 34a_100000211209_100000742324 [0,0,0,2,0,0|2,0,0]=4 26186 B14R2.4734 O=C1CCCN1CCOCC2CC2 34a_100000211283_100000739059 [0,0,0,2,0,0|2,0,0]=4 26187 B14R2.4734 O=C1CCCN1CCOCC2CC2 7a_100000211209_100000742324 [0,0,0,2,0,0|2,0,0]=4 26188 B14R2.4734 O=C1CCCN1CCSCC2CC2 62a_100000739059_100000742324 [0,0,0,2,0,0|2,0,0]=4 26189 B14R2.4734 O=C1CCCN1CCSCC2CC2 62a_100000756562_100000739059 [0,0,0,2,0,0|2,0,0]=4 26190 B14R2.4734 O=C1CCCN1CSCCC2CC2 62a_100000026320_100000764125 [0,0,0,2,0,0|2,0,0]=4 26191 B14R2.4734 O=C1CCCN1CSCCC2CC2 62a_100000764125_100000026320 [0,0,0,2,0,0|2,0,0]=4 26192 B14R2.4734 O=C1NCCC1COCCC2CC2 34a_100000133458_100000694398 [0,0,0,2,0,0|2,0,0]=4 26193 B14R2.5202 O=C1CCCC1N2CCCCCC2 2230a_100000185865_100000211823 [0,0,0,2,0,0|1,0,0]=3 26194 B14R2.5202 O=C1CCCC1N2CCCCCC2 269982a_100000185865_100000211823 [0,0,0,2,0,0|1,0,0]=3 26195 B14R2.5202 O=C1CCCC1N2CCCCCC2 34a_100000185865_100000709159 [0,0,0,2,0,0|1,0,0]=3 26196 B14R2.5202 O=C1CCCC1N2CCCOCC2 2230a_100000685342_100000211823 [0,0,0,2,0,0|2,0,0]=4 26197 B14R2.5202 O=C1CCCC1N2CCCOCC2 269982a_100000685342_100000211823 [0,0,0,2,0,0|2,0,0]=4 26198 B14R2.5202 O=C1CCCC1N2CCCOCC2 34a_100000685342_100000709159 [0,0,0,2,0,0|2,0,0]=4 26199 B14R2.5202 O=C1OCCC1N2CCCCCC2 2230a_100000185865_100000211211 [0,0,0,2,0,0|2,0,0]=4 26200 B14R2.5202 O=C1OCCC1N2CCCCCC2 269982a_100000185865_100000211211 [0,0,0,2,0,0|2,0,0]=4 26201 B14R2.5202 O=C1OCCC1N2CCCCCC2 34a_100000185865_100000211211 [0,0,0,2,0,0|2,0,0]=4 26202 B14R2.9145 O=C1CCC1CCOCCC2CC2 7a_100000754188_200016118888 [0,0,0,2,0,0|1,0,0]=3 26203 B14R2.9145 O=C1CCC1CCSCCC2CC2 62a_100000764125_200016118888 [0,0,0,2,0,0|1,0,0]=3 26204 B14R2.9145 O=C1CCC1CCSCCC2CC2 62a_200016118888_100000764125 [0,0,0,2,0,0|1,0,0]=3 26205 B14R2.9145 O=C1CCC1CCSCCC2CO2 62a_100000732470_200016118888 [0,0,0,2,0,0|2,0,0]=4 26206 B14R2.9145 O=C1CCC1CCSCCC2CO2 62a_200016118888_100000732470 [0,0,0,2,0,0|2,0,0]=4 26207 B14R2.9618 C=CCCCN1CCCC1C2CC2 2230a_200000757794_100011713584 [0,0,0,2,0,0|2,0,0]=4 26208 B14R2.9618 C=CCCCN1CCCC1C2CC2 269982a_200000757794_100000757094 [0,0,0,2,0,0|2,0,0]=4 26209 B14R2.9618 C=CCCCN1CCCC1C2CC2 34a_200000757794_100000757094 [0,0,0,2,0,0|2,0,0]=4 26210 B14R2.9618 O=CCCCN1CCCC1C2CC2 2230a_200000757794_200011292268 [0,0,0,2,0,0|1,0,0]=3 26211 B14R2.9618 O=CCCCN1CCCC1C2CC2 269982a_200000757794_200011292268 [0,0,0,2,0,0|1,0,0]=3 26212 B14R2.12796 C1=CC(CCCCC1)OCC2CC2 34a_100000688657_100000742324 [0,0,0,2,0,0|2,0,0]=4 26213 B14R2.829 COC[C@@H]1CCCN1C2CCC2=O 269982a_100020646714_100009892977 [0,0,0,2,0,0|2,0,0]=4 26214 B14R2.829 COC[C@@H]1CCCN1C2CCC2=O 34a_100020646714_100009892977 [0,0,0,2,0,0|2,0,0]=4 26215 B14R2.5498 O=C1CCC1NC2CCCCCC2 34a_100000210984_100009892977 [0,0,0,2,0,0|1,0,0]=3 26216 B14R2.5498 O=C1CCC1OC2CCCCCC2 34a_100000210887_100009892977 [0,0,0,2,0,0|1,0,0]=3 26217 B14R2.5498 O=C1CCC1OC2CCCCCC2 7a_100000210887_100009892977 [0,0,0,2,0,0|1,0,0]=3 26218 B14R2.5498 O=C1CCC1SC2CCCCCC2 62a_100009892977_100011217769 [0,0,0,2,0,0|1,0,0]=3 26219 B14R2.5498 O=C1CCC1SC2CCCCCC2 62a_100011217769_100009892977 [0,0,0,2,0,0|1,0,0]=3 26220 B14R2.8102 O=C1CCC1N2CCCCCCC2 269982a_100000211400_100009892977 [0,0,0,2,0,0|1,0,0]=3 26221 B14R2.8102 O=C1CCC1N2CCCCCCC2 34a_100000211400_100009892977 [0,0,0,2,0,0|1,0,0]=3 26222 B14R2.32000 C=CCNCC12CCCC1CCC2 2230a_100159271432_100000210623 [0,0,0,2,0,0|2,0,0]=4 26223 B14R2.32000 C=CCNCC12CCCC1CCC2 34a_100159271432_100015514636 [0,0,0,2,0,0|2,0,0]=4 26224 B14R2.32000 O=CCNCC12CCCC1CCC2 2230a_100159271432_200015260668 [0,0,0,2,0,0|1,0,0]=3 26225 B14R2.32000 O=CCNCC12CCCC1CCC2 34a_100159271432_200009817547 [0,0,0,2,0,0|1,0,0]=3 26226 B14R2.32000 O=CCOCC12CCCN1CCC2 34a_100000722608_200009817547 [0,0,0,2,0,0|2,0,0]=4 26227 B14R2.32000 O=CCOCC12CCCN1CCC2 7a_100000722608_200015260668 [0,0,0,2,0,0|2,0,0]=4