0 B11R0.3 C#CCCCCCCCCOC 34a_100000065265_200000210301 [0,0,0,0,0,0|2,0,1]=3 1 B11R0.3 C#CCCCCCCCCOC 7a_100000065265_200000210301 [0,0,0,0,0,0|2,0,1]=3 2 B11R0.3 C#CCCCCCCCCO[13CH3] 34a_100000065265_200025704644 [0,0,0,0,0,0|2,0,1]=3 3 B11R0.3 C#CCCCCCCCCO[13CH3] 7a_100000065265_200025704644 [0,0,0,0,0,0|2,0,1]=3 4 B11R0.3 C#CCCCCCCCNCC 2230a_100015525214_100153394163 [0,0,0,0,0,0|2,0,1]=3 5 B11R0.3 C#CCCCCCCCOCC 34a_100000054614_100000210202 [0,0,0,0,0,0|2,0,1]=3 6 B11R0.3 C#CCCCCCCCOCC 34a_100121572206_100153394163 [0,0,0,0,0,0|2,0,1]=3 7 B11R0.3 C#CCCCCCCCOCC 7a_100000054614_100000210202 [0,0,0,0,0,0|2,0,1]=3 8 B11R0.3 C#CCCCCCCCOCF 34a_100000054614_100015361967 [0,0,0,0,0,0|3,0,1]=4 9 B11R0.3 C#CCCCCCCCOCF 7a_100000054614_100015361967 [0,0,0,0,0,0|3,0,1]=4 10 B11R0.3 C#CCCCCCCCSCC 62a_100000210202_100153394163 [0,0,0,0,0,0|2,0,1]=3 11 B11R0.3 C#CCCCCCCCSCC 62a_100153394163_100000210202 [0,0,0,0,0,0|2,0,1]=3 12 B11R0.3 C#CCCCCCCCSCF 62a_100015361967_100153394163 [0,0,0,0,0,0|3,0,1]=4 13 B11R0.3 C#CCCCCCCCSCF 62a_100153394163_100015361967 [0,0,0,0,0,0|3,0,1]=4 14 B11R0.3 C#CCCCCCCNCC=C 2230a_100020586998_100012276617 [0,0,0,0,0,0|2,0,2]=4 15 B11R0.3 C#CCCCCCCNCCF 34a_100000724931_100012276617 [0,0,0,0,0,0|3,0,1]=4 16 B11R0.3 C#CCCCCCCNCCO 2230a_100016997473_100012276617 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.3 C#CCCCCCCNCCO 34a_100016990907_100012276617 [0,0,0,0,0,0|3,0,1]=4 18 B11R0.3 C#CCCCCCCOCC=C 34a_100011217361_100015514636 [0,0,0,0,0,0|2,0,2]=4 19 B11R0.3 C#CCCCCCCOCC=C 34a_200000210373_100012276617 [0,0,0,0,0,0|2,0,2]=4 20 B11R0.3 C#CCCCCCCOCC=C 7a_100011217361_100015514636 [0,0,0,0,0,0|2,0,2]=4 21 B11R0.3 C#CCCCCCCOCC=O 34a_100011217361_200009817547 [0,0,0,0,0,0|1,0,2]=3 22 B11R0.3 C#CCCCCCCOCC=O 7a_100011217361_200015260668 [0,0,0,0,0,0|1,0,2]=3 23 B11R0.3 C#CCCCCCCOCCBr 34a_100000211926_100012276617 [0,0,0,0,0,0|3,0,1]=4 24 B11R0.3 C#CCCCCCCOCCC 34a_100000210258_100012276617 [0,0,0,0,0,0|2,0,1]=3 25 B11R0.3 C#CCCCCCCOCCC 34a_100011217361_100000210303 [0,0,0,0,0,0|2,0,1]=3 26 B11R0.3 C#CCCCCCCOCCC 7a_100011217361_100000210303 [0,0,0,0,0,0|2,0,1]=3 27 B11R0.3 C#CCCCCCCOCCF 34a_100011217361_100011217306 [0,0,0,0,0,0|3,0,1]=4 28 B11R0.3 C#CCCCCCCOCCF 7a_100011217361_100011217306 [0,0,0,0,0,0|3,0,1]=4 29 B11R0.3 C#CCCCCCCOCCN 34a_100000210304_100012276617 [0,0,0,0,0,0|3,0,1]=4 30 B11R0.3 C#CCCCCCCOCCO 34a_100011217361_100000211926 [0,0,0,0,0,0|3,0,1]=4 31 B11R0.3 C#CCCCCCCOCCO 7a_100011217361_100000211926 [0,0,0,0,0,0|3,0,1]=4 32 B11R0.3 C#CCCCCCCOCSC 34a_100011217361_100011218213 [0,0,0,0,0,0|3,0,1]=4 33 B11R0.3 C#CCCCCCCSCC=C 62a_100000210623_100012276617 [0,0,0,0,0,0|2,0,2]=4 34 B11R0.3 C#CCCCCCCSCC=C 62a_100012276617_100000210623 [0,0,0,0,0,0|2,0,2]=4 35 B11R0.3 C#CCCCCCCSCC=O 62a_100012276617_200015260668 [0,0,0,0,0,0|1,0,2]=3 36 B11R0.3 C#CCCCCCCSCC=O 62a_200015260668_100012276617 [0,0,0,0,0,0|1,0,2]=3 37 B11R0.3 C#CCCCCCCSCCC 62a_100000210303_100012276617 [0,0,0,0,0,0|2,0,1]=3 38 B11R0.3 C#CCCCCCCSCCC 62a_100012276617_100000210303 [0,0,0,0,0,0|2,0,1]=3 39 B11R0.3 C#CCCCCCCSCCF 62a_100011217306_100012276617 [0,0,0,0,0,0|3,0,1]=4 40 B11R0.3 C#CCCCCCCSCCF 62a_100012276617_100011217306 [0,0,0,0,0,0|3,0,1]=4 41 B11R0.3 C#CCCCCCCSCCO 62a_100000211926_100012276617 [0,0,0,0,0,0|3,0,1]=4 42 B11R0.3 C#CCCCCCCSCCO 62a_100012276617_100000211926 [0,0,0,0,0,0|3,0,1]=4 43 B11R0.3 C#CCCCCCCSCOC 62a_100000766300_100012276617 [0,0,0,0,0,0|3,0,1]=4 44 B11R0.3 C#CCCCCCCSCOC 62a_100012276617_100000766300 [0,0,0,0,0,0|3,0,1]=4 45 B11R0.3 C#CCCCCCCSCSC 62a_100011218213_100012276617 [0,0,0,0,0,0|3,0,1]=4 46 B11R0.3 C#CCCCCCCSCSC 62a_100012276617_100011218213 [0,0,0,0,0,0|3,0,1]=4 47 B11R0.3 C#CCCCCCNCCC=C 2230a_100015191253_100012094781 [0,0,0,0,0,0|2,0,2]=4 48 B11R0.3 C#CCCCCCNCCCC 2230a_100000102301_100012094781 [0,0,0,0,0,0|2,0,1]=3 49 B11R0.3 C#CCCCCCNCCCC 7a_106832991798_100012094781 [0,0,0,0,0,0|2,0,1]=3 50 B11R0.3 C#CCCCCCNCCCF 2230a_100015189416_100012094781 [0,0,0,0,0,0|3,0,1]=4 51 B11R0.3 C#CCCCCCNCCCF 34a_100015189416_100012094781 [0,0,0,0,0,0|3,0,1]=4 52 B11R0.3 C#CCCCCCNCCOC 2230a_100000209980_100012094781 [0,0,0,0,0,0|3,0,1]=4 53 B11R0.3 C#CCCCCCNCCSC 2230a_100020590264_100012094781 [0,0,0,0,0,0|3,0,1]=4 54 B11R0.3 C#CCCCCCOCCC=C 34a_100000766912_100000754431 [0,0,0,0,0,0|2,0,2]=4 55 B11R0.3 C#CCCCCCOCCC=C 34a_100011205117_100012094781 [0,0,0,0,0,0|2,0,2]=4 56 B11R0.3 C#CCCCCCOCCC=C 7a_100000766912_100000754431 [0,0,0,0,0,0|2,0,2]=4 57 B11R0.3 C#CCCCCCOCCCBr 34a_100011217188_100012094781 [0,0,0,0,0,0|3,0,1]=4 58 B11R0.3 C#CCCCCCOCCCC 34a_100000210227_100012094781 [0,0,0,0,0,0|2,0,1]=3 59 B11R0.3 C#CCCCCCOCCCC 34a_100000766912_100000210210 [0,0,0,0,0,0|2,0,1]=3 60 B11R0.3 C#CCCCCCOCCCC 7a_100000210227_100012094781 [0,0,0,0,0,0|2,0,1]=3 61 B11R0.3 C#CCCCCCOCCCC 7a_100000766912_100000210211 [0,0,0,0,0,0|2,0,1]=3 62 B11R0.3 C#CCCCCCOCCCCl 34a_100000230001_100012094781 [0,0,0,0,0,0|3,0,1]=4 63 B11R0.3 C#CCCCCCOCCCF 34a_100000759539_100012094781 [0,0,0,0,0,0|3,0,1]=4 64 B11R0.3 C#CCCCCCOCCCF 34a_100000766912_100011934791 [0,0,0,0,0,0|3,0,1]=4 65 B11R0.3 C#CCCCCCOCCCF 7a_100000766912_100011934791 [0,0,0,0,0,0|3,0,1]=4 66 B11R0.3 C#CCCCCCOCCCN 34a_100000182051_100012094781 [0,0,0,0,0,0|3,0,1]=4 67 B11R0.3 C#CCCCCCOCCCO 34a_100000766912_100000230001 [0,0,0,0,0,0|3,0,1]=4 68 B11R0.3 C#CCCCCCOCCCO 7a_100000766912_100011215043 [0,0,0,0,0,0|3,0,1]=4 69 B11R0.3 C#CCCCCCOCCOC 34a_100000210237_100012094781 [0,0,0,0,0,0|3,0,1]=4 70 B11R0.3 C#CCCCCCOCCOC 34a_100000766912_100011201679 [0,0,0,0,0,0|3,0,1]=4 71 B11R0.3 C#CCCCCCOCCOC 7a_100000766912_100000233755 [0,0,0,0,0,0|3,0,1]=4 72 B11R0.3 C#CCCCCCOCCSC 34a_100000230434_100012094781 [0,0,0,0,0,0|3,0,1]=4 73 B11R0.3 C#CCCCCCOCCSC 34a_100000766912_100000212216 [0,0,0,0,0,0|3,0,1]=4 74 B11R0.3 C#CCCCCCOCCSC 7a_100000230434_100012094781 [0,0,0,0,0,0|3,0,1]=4 75 B11R0.3 C#CCCCCCOCCSC 7a_100000766912_100000212216 [0,0,0,0,0,0|3,0,1]=4 76 B11R0.3 C#CCCCCCSCCC=C 62a_100000754431_100012094781 [0,0,0,0,0,0|2,0,2]=4 77 B11R0.3 C#CCCCCCSCCC=C 62a_100012094781_100000754431 [0,0,0,0,0,0|2,0,2]=4 78 B11R0.3 C#CCCCCCSCCCC 62a_100000210211_100012094781 [0,0,0,0,0,0|2,0,1]=3 79 B11R0.3 C#CCCCCCSCCCC 62a_100012094781_100000210210 [0,0,0,0,0,0|2,0,1]=3 80 B11R0.3 C#CCCCCCSCCCF 62a_100011934791_100012094781 [0,0,0,0,0,0|3,0,1]=4 81 B11R0.3 C#CCCCCCSCCCF 62a_100012094781_100011934791 [0,0,0,0,0,0|3,0,1]=4 82 B11R0.3 C#CCCCCCSCCCO 62a_100011215043_100012094781 [0,0,0,0,0,0|3,0,1]=4 83 B11R0.3 C#CCCCCCSCCCO 62a_100012094781_100011215043 [0,0,0,0,0,0|3,0,1]=4 84 B11R0.3 C#CCCCCCSCCOC 62a_100000233755_100012094781 [0,0,0,0,0,0|3,0,1]=4 85 B11R0.3 C#CCCCCCSCCOC 62a_100012094781_100000233755 [0,0,0,0,0,0|3,0,1]=4 86 B11R0.3 C#CCCCCCSCCSC 62a_100000212216_100012094781 [0,0,0,0,0,0|3,0,1]=4 87 B11R0.3 C#CCCCCCSCCSC 62a_100012094781_100000751147 [0,0,0,0,0,0|3,0,1]=4 88 B11R0.3 C#CCCCCCSCOCC 62a_100000739092_100012094781 [0,0,0,0,0,0|3,0,1]=4 89 B11R0.3 C#CCCCCCSCOCC 62a_100012094781_100000739092 [0,0,0,0,0,0|3,0,1]=4 90 B11R0.3 C#CCCCCNCCCC=C 2230a_100000700776_100010269958 [0,0,0,0,0,0|2,0,2]=4 91 B11R0.3 C#CCCCCNCCCC=C 2230a_100000706060_100011713584 [0,0,0,0,0,0|2,0,2]=4 92 B11R0.3 C#CCCCCNCCCC=C 34a_100000700776_100010269958 [0,0,0,0,0,0|2,0,2]=4 93 B11R0.3 C#CCCCCNCCCC=C 34a_100000706060_100000757094 [0,0,0,0,0,0|2,0,2]=4 94 B11R0.3 C#CCCCCNCCCC=O 2230a_100000706060_200011292268 [0,0,0,0,0,0|1,0,2]=3 95 B11R0.3 C#CCCCCNCCCCC 2230a_100000209983_100010269958 [0,0,0,0,0,0|2,0,1]=3 96 B11R0.3 C#CCCCCNCCCCC 2230a_100000706060_100000210326 [0,0,0,0,0,0|2,0,1]=3 97 B11R0.3 C#CCCCCNCCCCC 34a_100000706060_100000718602 [0,0,0,0,0,0|2,0,1]=3 98 B11R0.3 C#CCCCCNCCCCF 2230a_100000706060_100000729493 [0,0,0,0,0,0|3,0,1]=4 99 B11R0.3 C#CCCCCNCCCCF 34a_100000706060_100000729493 [0,0,0,0,0,0|3,0,1]=4 100 B11R0.3 C#CCCCCNCCCCO 2230a_100000706060_100000210776 [0,0,0,0,0,0|3,0,1]=4 101 B11R0.3 C#CCCCCNCCCCO 2230a_100000750430_100010269958 [0,0,0,0,0,0|3,0,1]=4 102 B11R0.3 C#CCCCCNCCCCO 34a_100000706060_100011216708 [0,0,0,0,0,0|3,0,1]=4 103 B11R0.3 C#CCCCCNCCCCO 34a_100000750430_100010269958 [0,0,0,0,0,0|3,0,1]=4 104 B11R0.3 C#CCCCCNCCCOC 2230a_100000706060_100000740836 [0,0,0,0,0,0|3,0,1]=4 105 B11R0.3 C#CCCCCNCCCOC 34a_100000706060_100000740836 [0,0,0,0,0,0|3,0,1]=4 106 B11R0.3 C#CCCCCNCCCOC 34a_100150723488_100010269958 [0,0,0,0,0,0|3,0,1]=4 107 B11R0.3 C#CCCCCNCCCSC 2230a_100000749238_100010269958 [0,0,0,0,0,0|3,0,1]=4 108 B11R0.3 C#CCCCCNCCOCC 2230a_100000706060_100011215890 [0,0,0,0,0,0|3,0,1]=4 109 B11R0.3 C#CCCCCNCCOCC 2230a_102516460346_100010269958 [0,0,0,0,0,0|3,0,1]=4 110 B11R0.3 C#CCCCCNCCOCC 34a_100000706060_100000210147 [0,0,0,0,0,0|3,0,1]=4 111 B11R0.3 C#CCCCCNCCOCC 34a_102516460346_100010269958 [0,0,0,0,0,0|3,0,1]=4 112 B11R0.3 C#CCCCCNCCSCC 2230a_100000106463_100010269958 [0,0,0,0,0,0|3,0,1]=4 113 B11R0.3 C#CCCCCNCCSCC 2230a_100000706060_100000757381 [0,0,0,0,0,0|3,0,1]=4 114 B11R0.3 C#CCCCCNCCSCC 34a_100000706060_100000757381 [0,0,0,0,0,0|3,0,1]=4 115 B11R0.3 C#CCCCCOCCCC=C 34a_100000758997_100010269958 [0,0,0,0,0,0|2,0,2]=4 116 B11R0.3 C#CCCCCOCCCC=C 34a_100000766709_100000757094 [0,0,0,0,0,0|2,0,2]=4 117 B11R0.3 C#CCCCCOCCCC=C 7a_100000758997_100010269958 [0,0,0,0,0,0|2,0,2]=4 118 B11R0.3 C#CCCCCOCCCC=C 7a_100000766709_100000757094 [0,0,0,0,0,0|2,0,2]=4 119 B11R0.3 C#CCCCCOCCCC=O 7a_100000766709_200011292268 [0,0,0,0,0,0|1,0,2]=3 120 B11R0.3 C#CCCCCOCCCCBr 34a_100011216708_100010269958 [0,0,0,0,0,0|3,0,1]=4 121 B11R0.3 C#CCCCCOCCCCC 34a_100000210253_100010269958 [0,0,0,0,0,0|2,0,1]=3 122 B11R0.3 C#CCCCCOCCCCC 34a_100000766709_100000718602 [0,0,0,0,0,0|2,0,1]=3 123 B11R0.3 C#CCCCCOCCCCC 7a_100000210253_100010269958 [0,0,0,0,0,0|2,0,1]=3 124 B11R0.3 C#CCCCCOCCCCC 7a_100000766709_100000210326 [0,0,0,0,0,0|2,0,1]=3 125 B11R0.3 C#CCCCCOCCCCCl 34a_100000210776_100010269958 [0,0,0,0,0,0|3,0,1]=4 126 B11R0.3 C#CCCCCOCCCCCl 7a_100000210776_100010269958 [0,0,0,0,0,0|3,0,1]=4 127 B11R0.3 C#CCCCCOCCCCF 34a_100000766709_100000729493 [0,0,0,0,0,0|3,0,1]=4 128 B11R0.3 C#CCCCCOCCCCF 34a_100011995726_100010269958 [0,0,0,0,0,0|3,0,1]=4 129 B11R0.3 C#CCCCCOCCCCF 7a_100000766709_100000729493 [0,0,0,0,0,0|3,0,1]=4 130 B11R0.3 C#CCCCCOCCCCF 7a_100011995726_100010269958 [0,0,0,0,0,0|3,0,1]=4 131 B11R0.3 C#CCCCCOCCCCI 34a_200012148704_100010269958 [0,0,0,0,0,0|3,0,1]=4 132 B11R0.3 C#CCCCCOCCCCN 34a_100000750430_100010269958 [0,0,0,0,0,0|3,0,1]=4 133 B11R0.3 C#CCCCCOCCCCO 34a_100000766709_100011216708 [0,0,0,0,0,0|3,0,1]=4 134 B11R0.3 C#CCCCCOCCCCO 7a_100000766709_100000210776 [0,0,0,0,0,0|3,0,1]=4 135 B11R0.3 C#CCCCCOCCCNC 34a_100000213112_100010269958 [0,0,0,0,0,0|3,0,1]=4 136 B11R0.3 C#CCCCCOCCCOC 34a_100000740835_100010269958 [0,0,0,0,0,0|3,0,1]=4 137 B11R0.3 C#CCCCCOCCCOC 34a_100000766709_100000740836 [0,0,0,0,0,0|3,0,1]=4 138 B11R0.3 C#CCCCCOCCCOC 7a_100000766709_100000740836 [0,0,0,0,0,0|3,0,1]=4 139 B11R0.3 C#CCCCCOCCCSC 34a_100000690336_100010269958 [0,0,0,0,0,0|3,0,1]=4 140 B11R0.3 C#CCCCCOCCCSC 7a_100000690336_100010269958 [0,0,0,0,0,0|3,0,1]=4 141 B11R0.3 C#CCCCCOCCOCC 34a_100000210136_100010269958 [0,0,0,0,0,0|3,0,1]=4 142 B11R0.3 C#CCCCCOCCOCC 34a_100000766709_100000210147 [0,0,0,0,0,0|3,0,1]=4 143 B11R0.3 C#CCCCCOCCOCC 7a_100000210136_100010269958 [0,0,0,0,0,0|3,0,1]=4 144 B11R0.3 C#CCCCCOCCOCC 7a_100000766709_100011215890 [0,0,0,0,0,0|3,0,1]=4 145 B11R0.3 C#CCCCCOCCSCC 34a_100000212035_100010269958 [0,0,0,0,0,0|3,0,1]=4 146 B11R0.3 C#CCCCCOCCSCC 34a_100000766709_100000757381 [0,0,0,0,0,0|3,0,1]=4 147 B11R0.3 C#CCCCCOCCSCC 7a_100000212035_100010269958 [0,0,0,0,0,0|3,0,1]=4 148 B11R0.3 C#CCCCCOCCSCC 7a_100000766709_100000757381 [0,0,0,0,0,0|3,0,1]=4 149 B11R0.3 C#CCCCCSCCCC=C 62a_100010269958_100000757094 [0,0,0,0,0,0|2,0,2]=4 150 B11R0.3 C#CCCCCSCCCC=C 62a_100011713584_100010269958 [0,0,0,0,0,0|2,0,2]=4 151 B11R0.3 C#CCCCCSCCCC=O 62a_100010269958_200011292268 [0,0,0,0,0,0|1,0,2]=3 152 B11R0.3 C#CCCCCSCCCC=O 62a_200011292268_100010269958 [0,0,0,0,0,0|1,0,2]=3 153 B11R0.3 C#CCCCCSCCCCC 62a_100000210326_100010269958 [0,0,0,0,0,0|2,0,1]=3 154 B11R0.3 C#CCCCCSCCCCC 62a_100010269958_100000210326 [0,0,0,0,0,0|2,0,1]=3 155 B11R0.3 C#CCCCCSCCCCF 62a_100000729493_100010269958 [0,0,0,0,0,0|3,0,1]=4 156 B11R0.3 C#CCCCCSCCCCF 62a_100010269958_100000729493 [0,0,0,0,0,0|3,0,1]=4 157 B11R0.3 C#CCCCCSCCCCO 62a_100000210776_100010269958 [0,0,0,0,0,0|3,0,1]=4 158 B11R0.3 C#CCCCCSCCCCO 62a_100010269958_100000210776 [0,0,0,0,0,0|3,0,1]=4 159 B11R0.3 C#CCCCCSCCCOC 62a_100000709357_100010269958 [0,0,0,0,0,0|3,0,1]=4 160 B11R0.3 C#CCCCCSCCCOC 62a_100010269958_100000709357 [0,0,0,0,0,0|3,0,1]=4 161 B11R0.3 C#CCCCCSCCOCC 62a_100000210147_100010269958 [0,0,0,0,0,0|3,0,1]=4 162 B11R0.3 C#CCCCCSCCOCC 62a_100010269958_100011215890 [0,0,0,0,0,0|3,0,1]=4 163 B11R0.3 C#CCCCCSCCSCC 62a_100000757381_100010269958 [0,0,0,0,0,0|3,0,1]=4 164 B11R0.3 C#CCCCCSCCSCC 62a_100010269958_100000757381 [0,0,0,0,0,0|3,0,1]=4 165 B11R0.3 C#CCCCNCCCCC=C 2230a_100000703577_100000731252 [0,0,0,0,0,0|2,0,2]=4 166 B11R0.3 C#CCCCNCCCCC=C 34a_100000703577_100000695029 [0,0,0,0,0,0|2,0,2]=4 167 B11R0.3 C#CCCCNCCCCC=C 34a_100000718082_100011215482 [0,0,0,0,0,0|2,0,2]=4 168 B11R0.3 C#CCCCNCCCCCC 2230a_100000210581_100000731252 [0,0,0,0,0,0|2,0,1]=3 169 B11R0.3 C#CCCCNCCCCCC 34a_100000718082_100000210314 [0,0,0,0,0,0|2,0,1]=3 170 B11R0.3 C#CCCCNCCCCCF 34a_100000718082_100000729378 [0,0,0,0,0,0|3,0,1]=4 171 B11R0.3 C#CCCCNCCCCCO 2230a_100000762737_100000731252 [0,0,0,0,0,0|3,0,1]=4 172 B11R0.3 C#CCCCNCCCCCO 34a_100000718082_100000746330 [0,0,0,0,0,0|3,0,1]=4 173 B11R0.3 C#CCCCNCCCCCO 34a_100000762737_100000695029 [0,0,0,0,0,0|3,0,1]=4 174 B11R0.3 C#CCCCNCCCCOC 34a_100000718082_100000755781 [0,0,0,0,0,0|3,0,1]=4 175 B11R0.3 C#CCCCNCCCOCC 2230a_100000210961_100000731252 [0,0,0,0,0,0|3,0,1]=4 176 B11R0.3 C#CCCCNCCCOCC 34a_100000210961_100000695029 [0,0,0,0,0,0|3,0,1]=4 177 B11R0.3 C#CCCCNCCCOCC 34a_100000718082_100012232248 [0,0,0,0,0,0|3,0,1]=4 178 B11R0.3 C#CCCCNCCOCCC 2230a_100161115042_100000731252 [0,0,0,0,0,0|3,0,1]=4 179 B11R0.3 C#CCCCNCCOCCC 34a_100000718082_100011215938 [0,0,0,0,0,0|3,0,1]=4 180 B11R0.3 C#CCCCNCCOCCC 34a_100161115042_100000695029 [0,0,0,0,0,0|3,0,1]=4 181 B11R0.3 C#CCCCNCCSCCC 2230a_100020603323_100000731252 [0,0,0,0,0,0|3,0,1]=4 182 B11R0.3 C#CCCCNCOCCCC 34a_100000718082_100011995733 [0,0,0,0,0,0|3,0,1]=4 183 B11R0.3 C#CCCCOCCCCC=C 34a_100000215630_100011215482 [0,0,0,0,0,0|2,0,2]=4 184 B11R0.3 C#CCCCOCCCCC=C 34a_100000766645_100000695029 [0,0,0,0,0,0|2,0,2]=4 185 B11R0.3 C#CCCCOCCCCC=C 7a_100000215630_100011215482 [0,0,0,0,0,0|2,0,2]=4 186 B11R0.3 C#CCCCOCCCCC=C 7a_100000766645_100011215417 [0,0,0,0,0,0|2,0,2]=4 187 B11R0.3 C#CCCCOCCCCC=O 7a_100000215630_100000139335 [0,0,0,0,0,0|1,0,2]=3 188 B11R0.3 C#CCCCOCCCCCBr 34a_100000746331_100000695029 [0,0,0,0,0,0|3,0,1]=4 189 B11R0.3 C#CCCCOCCCCCBr 7a_100000746331_100011215417 [0,0,0,0,0,0|3,0,1]=4 190 B11R0.3 C#CCCCOCCCCCC 34a_100000210259_100000695029 [0,0,0,0,0,0|2,0,1]=3 191 B11R0.3 C#CCCCOCCCCCC 34a_100000215630_100000210314 [0,0,0,0,0,0|2,0,1]=3 192 B11R0.3 C#CCCCOCCCCCC 7a_100000210259_100011215417 [0,0,0,0,0,0|2,0,1]=3 193 B11R0.3 C#CCCCOCCCCCC 7a_100000215630_100000210314 [0,0,0,0,0,0|2,0,1]=3 194 B11R0.3 C#CCCCOCCCCCCl 34a_100000746330_100000695029 [0,0,0,0,0,0|3,0,1]=4 195 B11R0.3 C#CCCCOCCCCCCl 7a_100000746330_100011215417 [0,0,0,0,0,0|3,0,1]=4 196 B11R0.3 C#CCCCOCCCCCF 34a_100000215630_100000729378 [0,0,0,0,0,0|3,0,1]=4 197 B11R0.3 C#CCCCOCCCCCF 7a_100000215630_100000729378 [0,0,0,0,0,0|3,0,1]=4 198 B11R0.3 C#CCCCOCCCCCI 34a_200012148887_100000695029 [0,0,0,0,0,0|3,0,1]=4 199 B11R0.3 C#CCCCOCCCCCI 7a_200012148887_100011215417 [0,0,0,0,0,0|3,0,1]=4 200 B11R0.3 C#CCCCOCCCCCN 34a_100000762737_100000695029 [0,0,0,0,0,0|3,0,1]=4 201 B11R0.3 C#CCCCOCCCCCO 34a_100000215630_100000746330 [0,0,0,0,0,0|3,0,1]=4 202 B11R0.3 C#CCCCOCCCCCO 7a_100000215630_100000746330 [0,0,0,0,0,0|3,0,1]=4 203 B11R0.3 C#CCCCOCCCCOC 34a_100000215630_100000755781 [0,0,0,0,0,0|3,0,1]=4 204 B11R0.3 C#CCCCOCCCCOC 34a_100000740925_100000695029 [0,0,0,0,0,0|3,0,1]=4 205 B11R0.3 C#CCCCOCCCCOC 7a_100000215630_100000730899 [0,0,0,0,0,0|3,0,1]=4 206 B11R0.3 C#CCCCOCCCCSC 34a_100011217163_100000695029 [0,0,0,0,0,0|3,0,1]=4 207 B11R0.3 C#CCCCOCCCCSC 7a_100011217163_100011215417 [0,0,0,0,0,0|3,0,1]=4 208 B11R0.3 C#CCCCOCCCOCC 34a_100000215630_100012232248 [0,0,0,0,0,0|3,0,1]=4 209 B11R0.3 C#CCCCOCCCOCC 34a_100000757476_100000695029 [0,0,0,0,0,0|3,0,1]=4 210 B11R0.3 C#CCCCOCCCOCC 7a_100000215630_100012232248 [0,0,0,0,0,0|3,0,1]=4 211 B11R0.3 C#CCCCOCCCOCC 7a_100000757476_100011215417 [0,0,0,0,0,0|3,0,1]=4 212 B11R0.3 C#CCCCOCCCSCC 34a_100011216438_100000695029 [0,0,0,0,0,0|3,0,1]=4 213 B11R0.3 C#CCCCOCCCSCC 7a_100011216438_100011215417 [0,0,0,0,0,0|3,0,1]=4 214 B11R0.3 C#CCCCOCCOCCC 34a_100000215630_100011215938 [0,0,0,0,0,0|3,0,1]=4 215 B11R0.3 C#CCCCOCCOCCC 34a_100000752267_100000695029 [0,0,0,0,0,0|3,0,1]=4 216 B11R0.3 C#CCCCOCCOCCC 7a_100000215630_100011215938 [0,0,0,0,0,0|3,0,1]=4 217 B11R0.3 C#CCCCOCCOCCC 7a_100000752267_100011215417 [0,0,0,0,0,0|3,0,1]=4 218 B11R0.3 C#CCCCOCCSCCC 34a_200000230433_100000695029 [0,0,0,0,0,0|3,0,1]=4 219 B11R0.3 C#CCCCOCCSCCC 7a_200000230433_100011215417 [0,0,0,0,0,0|3,0,1]=4 220 B11R0.3 C#CCCCOCOCCCC 34a_100000215630_100011995733 [0,0,0,0,0,0|3,0,1]=4 221 B11R0.3 C#CCCCSCCCCC=C 62a_100011215417_100011215482 [0,0,0,0,0,0|2,0,2]=4 222 B11R0.3 C#CCCCSCCCCC=C 62a_100011215482_100011215417 [0,0,0,0,0,0|2,0,2]=4 223 B11R0.3 C#CCCCSCCCCC=O 62a_100000139335_100011215417 [0,0,0,0,0,0|1,0,2]=3 224 B11R0.3 C#CCCCSCCCCC=O 62a_100011215417_100000139335 [0,0,0,0,0,0|1,0,2]=3 225 B11R0.3 C#CCCCSCCCCCC 62a_100000210314_100011215417 [0,0,0,0,0,0|2,0,1]=3 226 B11R0.3 C#CCCCSCCCCCC 62a_100011215417_100000210757 [0,0,0,0,0,0|2,0,1]=3 227 B11R0.3 C#CCCCSCCCCCF 62a_100000729378_100011215417 [0,0,0,0,0,0|3,0,1]=4 228 B11R0.3 C#CCCCSCCCCCF 62a_100011215417_100000729378 [0,0,0,0,0,0|3,0,1]=4 229 B11R0.3 C#CCCCSCCCCCO 62a_100000746330_100011215417 [0,0,0,0,0,0|3,0,1]=4 230 B11R0.3 C#CCCCSCCCCCO 62a_100011215417_100000746330 [0,0,0,0,0,0|3,0,1]=4 231 B11R0.3 C#CCCCSCCCCOC 62a_100000730899_100011215417 [0,0,0,0,0,0|3,0,1]=4 232 B11R0.3 C#CCCCSCCCCOC 62a_100011215417_100000730899 [0,0,0,0,0,0|3,0,1]=4 233 B11R0.3 C#CCCCSCCCOCC 62a_100011215417_100012232248 [0,0,0,0,0,0|3,0,1]=4 234 B11R0.3 C#CCCCSCCCOCC 62a_100012232248_100011215417 [0,0,0,0,0,0|3,0,1]=4 235 B11R0.3 C#CCCCSCCOCCC 62a_100011215417_100011215938 [0,0,0,0,0,0|3,0,1]=4 236 B11R0.3 C#CCCCSCCOCCC 62a_100011215938_100011215417 [0,0,0,0,0,0|3,0,1]=4 237 B11R0.3 C#CCCCSCOCCCC 62a_100011215417_100011995733 [0,0,0,0,0,0|3,0,1]=4 238 B11R0.3 C#CCCCSCOCCCC 62a_100011995733_100011215417 [0,0,0,0,0,0|3,0,1]=4 239 B11R0.3 C#CCCNCCCCCC=C 34a_100000755551_100000700193 [0,0,0,0,0,0|2,0,2]=4 240 B11R0.3 C#CCCNCCCCCCC 2230a_100000229938_100000688953 [0,0,0,0,0,0|2,0,1]=3 241 B11R0.3 C#CCCNCCCCCCC 34a_100000755551_100000210614 [0,0,0,0,0,0|2,0,1]=3 242 B11R0.3 C#CCCNCCCCCCF 34a_100000755551_100015922095 [0,0,0,0,0,0|3,0,1]=4 243 B11R0.3 C#CCCNCCCCCCO 2230a_100000686447_100000688953 [0,0,0,0,0,0|3,0,1]=4 244 B11R0.3 C#CCCNCCCCCCO 34a_100000686447_100000688953 [0,0,0,0,0,0|3,0,1]=4 245 B11R0.3 C#CCCNCCCCCCO 34a_100000755551_100000766143 [0,0,0,0,0,0|3,0,1]=4 246 B11R0.3 C#CCCNCCCCCOC 2230a_100000747528_100000688953 [0,0,0,0,0,0|3,0,1]=4 247 B11R0.3 C#CCCNCCCCCOC 34a_100000747528_100000688953 [0,0,0,0,0,0|3,0,1]=4 248 B11R0.3 C#CCCNCCCOCCC 2230a_100011217757_100000688953 [0,0,0,0,0,0|3,0,1]=4 249 B11R0.3 C#CCCNCCCOCCC 34a_100011217757_100000688953 [0,0,0,0,0,0|3,0,1]=4 250 B11R0.3 C#CCCNCCOCCCC 34a_100000755551_100000743108 [0,0,0,0,0,0|3,0,1]=4 251 B11R0.3 C#CCCNCCSCCCC 2230a_100025743550_100000688953 [0,0,0,0,0,0|3,0,1]=4 252 B11R0.3 C#CCCOCCCCCC=C 34a_100011215631_100000700193 [0,0,0,0,0,0|2,0,2]=4 253 B11R0.3 C#CCCOCCCCCC=C 34a_100011216702_100000688953 [0,0,0,0,0,0|2,0,2]=4 254 B11R0.3 C#CCCOCCCCCC=C 7a_100011216702_100000688953 [0,0,0,0,0,0|2,0,2]=4 255 B11R0.3 C#CCCOCCCCCCBr 34a_100011215345_100000688953 [0,0,0,0,0,0|3,0,1]=4 256 B11R0.3 C#CCCOCCCCCCBr 7a_100011215345_100000688953 [0,0,0,0,0,0|3,0,1]=4 257 B11R0.3 C#CCCOCCCCCCC 34a_100000210272_100000688953 [0,0,0,0,0,0|2,0,1]=3 258 B11R0.3 C#CCCOCCCCCCC 34a_100011215631_100000210614 [0,0,0,0,0,0|2,0,1]=3 259 B11R0.3 C#CCCOCCCCCCC 7a_100000210272_100000688953 [0,0,0,0,0,0|2,0,1]=3 260 B11R0.3 C#CCCOCCCCCCCl 34a_100000766143_100000688953 [0,0,0,0,0,0|3,0,1]=4 261 B11R0.3 C#CCCOCCCCCCCl 7a_100000766143_100000688953 [0,0,0,0,0,0|3,0,1]=4 262 B11R0.3 C#CCCOCCCCCCF 34a_100000732779_100000688953 [0,0,0,0,0,0|3,0,1]=4 263 B11R0.3 C#CCCOCCCCCCF 34a_100011215631_100015922095 [0,0,0,0,0,0|3,0,1]=4 264 B11R0.3 C#CCCOCCCCCCF 7a_100000732779_100000688953 [0,0,0,0,0,0|3,0,1]=4 265 B11R0.3 C#CCCOCCCCCCN 34a_100000686447_100000688953 [0,0,0,0,0,0|3,0,1]=4 266 B11R0.3 C#CCCOCCCCCCO 34a_100011215631_100000766143 [0,0,0,0,0,0|3,0,1]=4 267 B11R0.3 C#CCCOCCCCCNC 34a_100000722520_100000688953 [0,0,0,0,0,0|3,0,1]=4 268 B11R0.3 C#CCCOCCOCCCC 34a_100000210238_100000688953 [0,0,0,0,0,0|3,0,1]=4 269 B11R0.3 C#CCCOCCOCCCC 34a_100011215631_100000743108 [0,0,0,0,0,0|3,0,1]=4 270 B11R0.3 C#CCCOCCOCCCC 7a_100000210238_100000688953 [0,0,0,0,0,0|3,0,1]=4 271 B11R0.3 C#CCCOCCSCCCC 34a_200000230436_100000688953 [0,0,0,0,0,0|3,0,1]=4 272 B11R0.3 C#CCCOCCSCCCC 7a_200000230436_100000688953 [0,0,0,0,0,0|3,0,1]=4 273 B11R0.3 C#CCCSCCCCCC=C 62a_100000688953_100000700193 [0,0,0,0,0,0|2,0,2]=4 274 B11R0.3 C#CCCSCCCCCC=C 62a_100000700193_100000688953 [0,0,0,0,0,0|2,0,2]=4 275 B11R0.3 C#CCCSCCCCCC=O 62a_100000139337_100000688953 [0,0,0,0,0,0|1,0,2]=3 276 B11R0.3 C#CCCSCCCCCC=O 62a_100000688953_100000139337 [0,0,0,0,0,0|1,0,2]=3 277 B11R0.3 C#CCCSCCCCCCC 62a_100000210614_100000688953 [0,0,0,0,0,0|2,0,1]=3 278 B11R0.3 C#CCCSCCCCCCC 62a_100000688953_100000210316 [0,0,0,0,0,0|2,0,1]=3 279 B11R0.3 C#CCCSCCCCCCF 62a_100000688953_100015922095 [0,0,0,0,0,0|3,0,1]=4 280 B11R0.3 C#CCCSCCCCCCF 62a_100015922095_100000688953 [0,0,0,0,0,0|3,0,1]=4 281 B11R0.3 C#CCCSCCCCCCO 62a_100000688953_100000766143 [0,0,0,0,0,0|3,0,1]=4 282 B11R0.3 C#CCCSCCCCCCO 62a_100000766143_100000688953 [0,0,0,0,0,0|3,0,1]=4 283 B11R0.3 C#CCCSCCOCCCC 62a_100000688953_100000743108 [0,0,0,0,0,0|3,0,1]=4 284 B11R0.3 C#CCCSCCOCCCC 62a_100000743108_100000688953 [0,0,0,0,0,0|3,0,1]=4 285 B11R0.3 C#CCNCCCCCCC=C 34a_100000212058_100011215473 [0,0,0,0,0,0|2,0,2]=4 286 B11R0.3 C#CCNCCCCCCCC 2230a_100000229939_100000038162 [0,0,0,0,0,0|2,0,1]=3 287 B11R0.3 C#CCNCCCCCCCC 34a_100000212058_100000210759 [0,0,0,0,0,0|2,0,1]=3 288 B11R0.3 C#CCNCCCCCCCC 34a_100000229939_100000184674 [0,0,0,0,0,0|2,0,1]=3 289 B11R0.3 C#CCNCCCCCCCO 2230a_100011996573_100000038162 [0,0,0,0,0,0|3,0,1]=4 290 B11R0.3 C#CCNCCCCCCCO 34a_100000212058_100000760002 [0,0,0,0,0,0|3,0,1]=4 291 B11R0.3 C#CCNCCCCCCCO 34a_100011996573_100000184674 [0,0,0,0,0,0|3,0,1]=4 292 B11R0.3 C#CCNCCCCCCOC 34a_100000212058_100011998445 [0,0,0,0,0,0|3,0,1]=4 293 B11R0.3 C#CCNCCCOCCCC 2230a_200000211371_100000038162 [0,0,0,0,0,0|3,0,1]=4 294 B11R0.3 C#CCNCCCOCCCC 34a_200000211371_100000184674 [0,0,0,0,0,0|3,0,1]=4 295 B11R0.3 C#CCOCCCCCCC=C 34a_100000210247_100011215473 [0,0,0,0,0,0|2,0,2]=4 296 B11R0.3 C#CCOCCCCCCC=C 34a_200011216477_100000184674 [0,0,0,0,0,0|2,0,2]=4 297 B11R0.3 C#CCOCCCCCCC=C 7a_200011216477_100000038162 [0,0,0,0,0,0|2,0,2]=4 298 B11R0.3 C#CCOCCCCCCCBr 34a_100000760002_100000184674 [0,0,0,0,0,0|3,0,1]=4 299 B11R0.3 C#CCOCCCCCCCBr 7a_100000760002_100000038162 [0,0,0,0,0,0|3,0,1]=4 300 B11R0.3 C#CCOCCCCCCCC 34a_100000210232_100000184674 [0,0,0,0,0,0|2,0,1]=3 301 B11R0.3 C#CCOCCCCCCCC 34a_100000210247_100000210759 [0,0,0,0,0,0|2,0,1]=3 302 B11R0.3 C#CCOCCCCCCCC 7a_100000210232_100000038162 [0,0,0,0,0,0|2,0,1]=3 303 B11R0.3 C#CCOCCCCCCCN 34a_100011996573_100000184674 [0,0,0,0,0,0|3,0,1]=4 304 B11R0.3 C#CCOCCCCCCCO 34a_100000210247_100000760002 [0,0,0,0,0,0|3,0,1]=4 305 B11R0.3 C#CCOCCCCCCOC 34a_100000210247_100011998445 [0,0,0,0,0,0|3,0,1]=4 306 B11R0.3 C#CCOCCCCCCOC 34a_200011021349_200000210301 [0,0,0,0,0,0|3,0,1]=4 307 B11R0.3 C#CCOCCCCCCOC 34a_200012092642_100000184674 [0,0,0,0,0,0|3,0,1]=4 308 B11R0.3 C#CCOCCCCCCOC 7a_200011021349_200000210301 [0,0,0,0,0,0|3,0,1]=4 309 B11R0.3 C#CCOCCCCCCOC 7a_200012092642_100000038162 [0,0,0,0,0,0|3,0,1]=4 310 B11R0.3 C#CCOCCCCCCO[13CH3] 34a_200011021349_200025704644 [0,0,0,0,0,0|3,0,1]=4 311 B11R0.3 C#CCOCCCCCCO[13CH3] 7a_200011021349_200025704644 [0,0,0,0,0,0|3,0,1]=4 312 B11R0.3 C#CCOCCCOCCCC 34a_200011215613_100000184674 [0,0,0,0,0,0|3,0,1]=4 313 B11R0.3 C#CCOCCCOCCCC 7a_200011215613_100000038162 [0,0,0,0,0,0|3,0,1]=4 314 B11R0.3 C#CCOCCNCCCC=O 2230a_100000700922_200011292268 [0,0,0,0,0,0|2,0,2]=4 315 B11R0.3 C#CCOCCNCCCCC 2230a_100000209983_100010402529 [0,0,0,0,0,0|3,0,1]=4 316 B11R0.3 C#CCOCCNCCCCC 2230a_100000700922_100000210326 [0,0,0,0,0,0|3,0,1]=4 317 B11R0.3 C#CCOCCNCCCCC 34a_100000224656_100000184674 [0,0,0,0,0,0|3,0,1]=4 318 B11R0.3 C#CCOCCNCCCCC 34a_100000700922_100000718602 [0,0,0,0,0,0|3,0,1]=4 319 B11R0.3 C#CCOCCOCCCC=O 7a_100000054580_200011292268 [0,0,0,0,0,0|2,0,2]=4 320 B11R0.3 C#CCOCCOCCCCC 34a_100000054580_100000718602 [0,0,0,0,0,0|3,0,1]=4 321 B11R0.3 C#CCOCCOCCCCC 34a_100000210253_100010402529 [0,0,0,0,0,0|3,0,1]=4 322 B11R0.3 C#CCOCCOCCCCC 34a_100011215259_100000184674 [0,0,0,0,0,0|3,0,1]=4 323 B11R0.3 C#CCOCCOCCCCC 7a_100000054580_100000210326 [0,0,0,0,0,0|3,0,1]=4 324 B11R0.3 C#CCOCCOCCCCC 7a_100000210253_100010402529 [0,0,0,0,0,0|3,0,1]=4 325 B11R0.3 C#CCOCCOCCCCC 7a_100011215259_100000038162 [0,0,0,0,0,0|3,0,1]=4 326 B11R0.3 C#CCOCCSCCCC=O 62a_100010402529_200011292268 [0,0,0,0,0,0|2,0,2]=4 327 B11R0.3 C#CCOCCSCCCC=O 62a_200011292268_100010402529 [0,0,0,0,0,0|2,0,2]=4 328 B11R0.3 C#CCOCCSCCCCC 62a_100000210326_100010402529 [0,0,0,0,0,0|3,0,1]=4 329 B11R0.3 C#CCOCCSCCCCC 62a_100010402529_100000210326 [0,0,0,0,0,0|3,0,1]=4 330 B11R0.3 C#CCSCCCCCCC=C 62a_100000038162_100011215473 [0,0,0,0,0,0|2,0,2]=4 331 B11R0.3 C#CCSCCCCCCCC 62a_100000038162_100000210317 [0,0,0,0,0,0|2,0,1]=3 332 B11R0.3 C#CCSCCCCCCCO 62a_100000038162_100000760002 [0,0,0,0,0,0|3,0,1]=4 333 B11R0.3 C#CCSCCCCCCOC 62a_100000038162_100011998445 [0,0,0,0,0,0|3,0,1]=4 334 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [0,0,0,0,0,0|2,0,1]=3 335 B11R0.3 C/C=C/CCOCCCCCF 34a_100016278192_100000729378 [0,0,0,0,0,0|3,0,1]=4 336 B11R0.3 C/C=C/CCOCCCCCO 34a_100016278192_100000746330 [0,0,0,0,0,0|3,0,1]=4 337 B11R0.3 C/C=C/CCOCCCCOC 34a_100016278192_100000755781 [0,0,0,0,0,0|3,0,1]=4 338 B11R0.3 C/C=C/CCOCCCOCC 34a_100016278192_100012232248 [0,0,0,0,0,0|3,0,1]=4 339 B11R0.3 C/C=C/CCOCCOCCC 34a_100016278192_100011215938 [0,0,0,0,0,0|3,0,1]=4 340 B11R0.3 C/C=C/CCOCOCCCC 34a_100016278192_100011995733 [0,0,0,0,0,0|3,0,1]=4 341 B11R0.3 C/C=C/CNCCCCCCO 34a_100000686447_100102629194 [0,0,0,0,0,0|3,0,1]=4 342 B11R0.3 C/C=C/CNCCCCCOC 34a_100000747528_100102629194 [0,0,0,0,0,0|3,0,1]=4 343 B11R0.3 C/C=C/CNCCCOCCC 34a_100011217757_100102629194 [0,0,0,0,0,0|3,0,1]=4 344 B11R0.3 C/C=C/COCCCCCCBr 34a_100011215345_100102629194 [0,0,0,0,0,0|3,0,1]=4 345 B11R0.3 C/C=C/COCCCCCCBr 7a_100011215345_100102629194 [0,0,0,0,0,0|3,0,1]=4 346 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [0,0,0,0,0,0|2,0,1]=3 347 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [0,0,0,0,0,0|2,0,1]=3 348 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [0,0,0,0,0,0|2,0,1]=3 349 B11R0.3 C/C=C/COCCCCCCCl 34a_100000766143_100102629194 [0,0,0,0,0,0|3,0,1]=4 350 B11R0.3 C/C=C/COCCCCCCCl 7a_100000766143_100102629194 [0,0,0,0,0,0|3,0,1]=4 351 B11R0.3 C/C=C/COCCCCCCF 34a_100000732779_100102629194 [0,0,0,0,0,0|3,0,1]=4 352 B11R0.3 C/C=C/COCCCCCCF 34a_100016270725_100015922095 [0,0,0,0,0,0|3,0,1]=4 353 B11R0.3 C/C=C/COCCCCCCF 7a_100000732779_100102629194 [0,0,0,0,0,0|3,0,1]=4 354 B11R0.3 C/C=C/COCCCCCCN 34a_100000686447_100102629194 [0,0,0,0,0,0|3,0,1]=4 355 B11R0.3 C/C=C/COCCCCCCO 34a_100016270725_100000766143 [0,0,0,0,0,0|3,0,1]=4 356 B11R0.3 C/C=C/COCCCCCNC 34a_100000722520_100102629194 [0,0,0,0,0,0|3,0,1]=4 357 B11R0.3 C/C=C/COCCOCCCC 34a_100000210238_100102629194 [0,0,0,0,0,0|3,0,1]=4 358 B11R0.3 C/C=C/COCCOCCCC 34a_100016270725_100000743108 [0,0,0,0,0,0|3,0,1]=4 359 B11R0.3 C/C=C/COCCOCCCC 7a_100000210238_100102629194 [0,0,0,0,0,0|3,0,1]=4 360 B11R0.3 C/C=C/COCCSCCCC 34a_200000230436_100102629194 [0,0,0,0,0,0|3,0,1]=4 361 B11R0.3 C/C=C/COCCSCCCC 7a_200000230436_100102629194 [0,0,0,0,0,0|3,0,1]=4 362 B11R0.3 C/C=C/CSCCCCCC=O 62a_100000139337_100102629194 [0,0,0,0,0,0|1,0,2]=3 363 B11R0.3 C/C=C/CSCCCCCC=O 62a_100102629194_100000139337 [0,0,0,0,0,0|1,0,2]=3 364 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [0,0,0,0,0,0|2,0,1]=3 365 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [0,0,0,0,0,0|2,0,1]=3 366 B11R0.3 C/C=C/CSCCCCCCF 62a_100015922095_100102629194 [0,0,0,0,0,0|3,0,1]=4 367 B11R0.3 C/C=C/CSCCCCCCF 62a_100102629194_100015922095 [0,0,0,0,0,0|3,0,1]=4 368 B11R0.3 C/C=C/CSCCCCCCO 62a_100000766143_100102629194 [0,0,0,0,0,0|3,0,1]=4 369 B11R0.3 C/C=C/CSCCCCCCO 62a_100102629194_100000766143 [0,0,0,0,0,0|3,0,1]=4 370 B11R0.3 C/C=C/CSCCOCCCC 62a_100000743108_100102629194 [0,0,0,0,0,0|3,0,1]=4 371 B11R0.3 C/C=C/CSCCOCCCC 62a_100102629194_100000743108 [0,0,0,0,0,0|3,0,1]=4 372 B11R0.3 C=CCCC/C=C/COCCC 34a_200016268473_100000210303 [0,0,0,0,0,0|2,0,2]=4 373 B11R0.3 C=CCCC/C=C/COCCC 7a_200016268473_100000210303 [0,0,0,0,0,0|2,0,2]=4 374 B11R0.3 C=CCCC=NNCCCCC 4a_100000694160_100011216789 [0,0,0,0,0,0|3,0,1]=4 375 B11R0.3 C=CCCCCCCCCNC 2230a_106832991635_100011933949 [0,0,0,0,0,0|2,0,0]=2 376 B11R0.3 C=CCCCCCCCCNC 34a_100102657272_100011933949 [0,0,0,0,0,0|2,0,0]=2 377 B11R0.3 C=CCCCCCCCCNC 7a_106832991635_100011933949 [0,0,0,0,0,0|2,0,0]=2 378 B11R0.3 C=CCCCCCCCCOC 34a_100011215194_200000210301 [0,0,0,0,0,0|2,0,0]=2 379 B11R0.3 C=CCCCCCCCCOC 34a_100138415774_100011933949 [0,0,0,0,0,0|2,0,0]=2 380 B11R0.3 C=CCCCCCCCCOC 7a_100011215194_200000210301 [0,0,0,0,0,0|2,0,0]=2 381 B11R0.3 C=CCCCCCCCCO[13CH3] 34a_100011215194_200025704644 [0,0,0,0,0,0|2,0,0]=2 382 B11R0.3 C=CCCCCCCCCO[13CH3] 7a_100011215194_200025704644 [0,0,0,0,0,0|2,0,0]=2 383 B11R0.3 C=CCCCCCCCCSC 62a_100011933949_200000210301 [0,0,0,0,0,0|2,0,0]=2 384 B11R0.3 C=CCCCCCCCCSC 62a_200000210301_100011933949 [0,0,0,0,0,0|2,0,0]=2 385 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_100011933949_200025704644 [0,0,0,0,0,0|2,0,0]=2 386 B11R0.3 C=CCCCCCCCCS[13CH3] 62a_200025704644_100011933949 [0,0,0,0,0,0|2,0,0]=2 387 B11R0.3 C=CCCCCCCCNCC 2230a_100015525214_100012355270 [0,0,0,0,0,0|2,0,0]=2 388 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [0,0,0,0,0,0|2,0,0]=2 389 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [0,0,0,0,0,0|2,0,0]=2 390 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [0,0,0,0,0,0|2,0,0]=2 391 B11R0.3 C=CCCCCCCCOCF 34a_100000730831_100015361967 [0,0,0,0,0,0|3,0,0]=3 392 B11R0.3 C=CCCCCCCCOCF 7a_100000730831_100015361967 [0,0,0,0,0,0|3,0,0]=3 393 B11R0.3 C=CCCCCCCCSCC 62a_100000210202_100012355270 [0,0,0,0,0,0|2,0,0]=2 394 B11R0.3 C=CCCCCCCCSCC 62a_100012355270_100000210202 [0,0,0,0,0,0|2,0,0]=2 395 B11R0.3 C=CCCCCCCCSCF 62a_100012355270_100015361967 [0,0,0,0,0,0|3,0,0]=3 396 B11R0.3 C=CCCCCCCCSCF 62a_100015361967_100012355270 [0,0,0,0,0,0|3,0,0]=3 397 B11R0.3 C=CCCCCCCNCC=C 2230a_100020586998_100011215473 [0,0,0,0,0,0|2,0,2]=4 398 B11R0.3 C=CCCCCCCNCCF 34a_100000724931_100011215473 [0,0,0,0,0,0|3,0,0]=3 399 B11R0.3 C=CCCCCCCNCCO 2230a_100016997473_100011215473 [0,0,0,0,0,0|3,0,0]=3 400 B11R0.3 C=CCCCCCCNCCO 34a_100016990907_100011215473 [0,0,0,0,0,0|3,0,0]=3 401 B11R0.3 C=CCCCCCCOCC#N 7a_200011216477_100011215382 [0,0,0,0,0,0|3,0,1]=4 402 B11R0.3 C=CCCCCCCOCC=C 34a_200000210373_100011215473 [0,0,0,0,0,0|2,0,2]=4 403 B11R0.3 C=CCCCCCCOCC=C 34a_200011216477_100015514636 [0,0,0,0,0,0|2,0,2]=4 404 B11R0.3 C=CCCCCCCOCC=C 7a_200011216477_100015514636 [0,0,0,0,0,0|2,0,2]=4 405 B11R0.3 C=CCCCCCCOCC=O 34a_200011216477_200009817547 [0,0,0,0,0,0|1,0,2]=3 406 B11R0.3 C=CCCCCCCOCC=O 7a_200011216477_200015260668 [0,0,0,0,0,0|1,0,2]=3 407 B11R0.3 C=CCCCCCCOCCBr 34a_100000211926_100011215473 [0,0,0,0,0,0|3,0,0]=3 408 B11R0.3 C=CCCCCCCOCCC 34a_100000210258_100011215473 [0,0,0,0,0,0|2,0,0]=2 409 B11R0.3 C=CCCCCCCOCCC 34a_200011216477_100000210303 [0,0,0,0,0,0|2,0,0]=2 410 B11R0.3 C=CCCCCCCOCCC 7a_200011216477_100000210303 [0,0,0,0,0,0|2,0,0]=2 411 B11R0.3 C=CCCCCCCOCCF 34a_200011216477_100011217306 [0,0,0,0,0,0|3,0,0]=3 412 B11R0.3 C=CCCCCCCOCCF 7a_200011216477_100011217306 [0,0,0,0,0,0|3,0,0]=3 413 B11R0.3 C=CCCCCCCOCCN 34a_100000210304_100011215473 [0,0,0,0,0,0|3,0,0]=3 414 B11R0.3 C=CCCCCCCOCCO 34a_200011216477_100000211926 [0,0,0,0,0,0|3,0,0]=3 415 B11R0.3 C=CCCCCCCOCCO 7a_200011216477_100000211926 [0,0,0,0,0,0|3,0,0]=3 416 B11R0.3 C=CCCCCCCOCSC 34a_200011216477_100011218213 [0,0,0,0,0,0|3,0,0]=3 417 B11R0.3 C=CCCCCCCSCC#N 62a_100011215382_100011215473 [0,0,0,0,0,0|3,0,1]=4 418 B11R0.3 C=CCCCCCCSCC#N 62a_100011215473_100011215382 [0,0,0,0,0,0|3,0,1]=4 419 B11R0.3 C=CCCCCCCSCC=C 62a_100000210623_100011215473 [0,0,0,0,0,0|2,0,2]=4 420 B11R0.3 C=CCCCCCCSCC=C 62a_100011215473_100000210623 [0,0,0,0,0,0|2,0,2]=4 421 B11R0.3 C=CCCCCCCSCC=O 62a_100011215473_200015260668 [0,0,0,0,0,0|1,0,2]=3 422 B11R0.3 C=CCCCCCCSCC=O 62a_200015260668_100011215473 [0,0,0,0,0,0|1,0,2]=3 423 B11R0.3 C=CCCCCCCSCCC 62a_100000210303_100011215473 [0,0,0,0,0,0|2,0,0]=2 424 B11R0.3 C=CCCCCCCSCCC 62a_100011215473_100000210303 [0,0,0,0,0,0|2,0,0]=2 425 B11R0.3 C=CCCCCCCSCCF 62a_100011215473_100011217306 [0,0,0,0,0,0|3,0,0]=3 426 B11R0.3 C=CCCCCCCSCCF 62a_100011217306_100011215473 [0,0,0,0,0,0|3,0,0]=3 427 B11R0.3 C=CCCCCCCSCCO 62a_100000211926_100011215473 [0,0,0,0,0,0|3,0,0]=3 428 B11R0.3 C=CCCCCCCSCCO 62a_100011215473_100000211926 [0,0,0,0,0,0|3,0,0]=3 429 B11R0.3 C=CCCCCCCSCOC 62a_100000766300_100011215473 [0,0,0,0,0,0|3,0,0]=3 430 B11R0.3 C=CCCCCCCSCOC 62a_100011215473_100000766300 [0,0,0,0,0,0|3,0,0]=3 431 B11R0.3 C=CCCCCCCSCSC 62a_100011215473_100011218213 [0,0,0,0,0,0|3,0,0]=3 432 B11R0.3 C=CCCCCCCSCSC 62a_100011218213_100011215473 [0,0,0,0,0,0|3,0,0]=3 433 B11R0.3 C=CCCCCCNCC#CC 2230a_100000685387_100000700193 [0,0,0,0,0,0|2,0,2]=4 434 B11R0.3 C=CCCCCCNCC#CC 34a_100000685387_100000700193 [0,0,0,0,0,0|2,0,2]=4 435 B11R0.3 C=CCCCCCNCCC=C 2230a_100015191253_100000700193 [0,0,0,0,0,0|2,0,2]=4 436 B11R0.3 C=CCCCCCNCCCC 2230a_100000102301_100000700193 [0,0,0,0,0,0|2,0,0]=2 437 B11R0.3 C=CCCCCCNCCCC 7a_106832991798_100000700193 [0,0,0,0,0,0|2,0,0]=2 438 B11R0.3 C=CCCCCCNCCCF 2230a_100015189416_100000700193 [0,0,0,0,0,0|3,0,0]=3 439 B11R0.3 C=CCCCCCNCCCF 34a_100015189416_100000700193 [0,0,0,0,0,0|3,0,0]=3 440 B11R0.3 C=CCCCCCNCCOC 2230a_100000209980_100000700193 [0,0,0,0,0,0|3,0,0]=3 441 B11R0.3 C=CCCCCCNCCSC 2230a_100020590264_100000700193 [0,0,0,0,0,0|3,0,0]=3 442 B11R0.3 C=CCCCCCOC/C=C/C 34a_100011216702_100102629194 [0,0,0,0,0,0|2,0,2]=4 443 B11R0.3 C=CCCCCCOC/C=C/C 34a_100016270725_100000700193 [0,0,0,0,0,0|2,0,2]=4 444 B11R0.3 C=CCCCCCOC/C=C/C 7a_100011216702_100102629194 [0,0,0,0,0,0|2,0,2]=4 445 B11R0.3 C=CCCCCCOCC#CC 34a_100000761923_100000700193 [0,0,0,0,0,0|2,0,2]=4 446 B11R0.3 C=CCCCCCOCC#CC 34a_100011216702_100000748600 [0,0,0,0,0,0|2,0,2]=4 447 B11R0.3 C=CCCCCCOCC#CC 7a_100011216702_100000748600 [0,0,0,0,0,0|2,0,2]=4 448 B11R0.3 C=CCCCCCOCC=CC 34a_100011216702_100000070051 [0,0,0,0,0,0|2,0,2]=4 449 B11R0.3 C=CCCCCCOCC=CC 7a_100011216702_100000070051 [0,0,0,0,0,0|2,0,2]=4 450 B11R0.3 C=CCCCCCOCCC#N 7a_100011216702_100000184422 [0,0,0,0,0,0|3,0,1]=4 451 B11R0.3 C=CCCCCCOCCC=C 34a_100011205117_100000700193 [0,0,0,0,0,0|2,0,2]=4 452 B11R0.3 C=CCCCCCOCCC=C 34a_100011216702_100000754431 [0,0,0,0,0,0|2,0,2]=4 453 B11R0.3 C=CCCCCCOCCC=C 7a_100011216702_100000754431 [0,0,0,0,0,0|2,0,2]=4 454 B11R0.3 C=CCCCCCOCCCBr 34a_100011217188_100000700193 [0,0,0,0,0,0|3,0,0]=3 455 B11R0.3 C=CCCCCCOCCCC 34a_100000210227_100000700193 [0,0,0,0,0,0|2,0,0]=2 456 B11R0.3 C=CCCCCCOCCCC 34a_100011216702_100000210210 [0,0,0,0,0,0|2,0,0]=2 457 B11R0.3 C=CCCCCCOCCCC 7a_100000210227_100000700193 [0,0,0,0,0,0|2,0,0]=2 458 B11R0.3 C=CCCCCCOCCCC 7a_100011216702_100000210211 [0,0,0,0,0,0|2,0,0]=2 459 B11R0.3 C=CCCCCCOCCCCl 34a_100000230001_100000700193 [0,0,0,0,0,0|3,0,0]=3 460 B11R0.3 C=CCCCCCOCCCF 34a_100000759539_100000700193 [0,0,0,0,0,0|3,0,0]=3 461 B11R0.3 C=CCCCCCOCCCF 34a_100011216702_100011934791 [0,0,0,0,0,0|3,0,0]=3 462 B11R0.3 C=CCCCCCOCCCF 7a_100011216702_100011934791 [0,0,0,0,0,0|3,0,0]=3 463 B11R0.3 C=CCCCCCOCCCN 34a_100000182051_100000700193 [0,0,0,0,0,0|3,0,0]=3 464 B11R0.3 C=CCCCCCOCCCO 34a_100011216702_100000230001 [0,0,0,0,0,0|3,0,0]=3 465 B11R0.3 C=CCCCCCOCCCO 7a_100011216702_100011215043 [0,0,0,0,0,0|3,0,0]=3 466 B11R0.3 C=CCCCCCOCCOC 34a_100000210237_100000700193 [0,0,0,0,0,0|3,0,0]=3 467 B11R0.3 C=CCCCCCOCCOC 34a_100011216702_100011201679 [0,0,0,0,0,0|3,0,0]=3 468 B11R0.3 C=CCCCCCOCCOC 7a_100011216702_100000233755 [0,0,0,0,0,0|3,0,0]=3 469 B11R0.3 C=CCCCCCOCCON 34a_100000700252_100000700193 [0,0,0,0,0,0|4,0,0]=4 470 B11R0.3 C=CCCCCCOCCSC 34a_100000230434_100000700193 [0,0,0,0,0,0|3,0,0]=3 471 B11R0.3 C=CCCCCCOCCSC 34a_100011216702_100000212216 [0,0,0,0,0,0|3,0,0]=3 472 B11R0.3 C=CCCCCCOCCSC 7a_100000230434_100000700193 [0,0,0,0,0,0|3,0,0]=3 473 B11R0.3 C=CCCCCCOCCSC 7a_100011216702_100000212216 [0,0,0,0,0,0|3,0,0]=3 474 B11R0.3 C=CCCCCCSC/C=C/C 62a_100000700193_100102629194 [0,0,0,0,0,0|2,0,2]=4 475 B11R0.3 C=CCCCCCSC/C=C/C 62a_100102629194_100000700193 [0,0,0,0,0,0|2,0,2]=4 476 B11R0.3 C=CCCCCCSCC#CC 62a_100000700193_100000748600 [0,0,0,0,0,0|2,0,2]=4 477 B11R0.3 C=CCCCCCSCC#CC 62a_100000748600_100000700193 [0,0,0,0,0,0|2,0,2]=4 478 B11R0.3 C=CCCCCCSCC=CC 62a_100000070051_100000700193 [0,0,0,0,0,0|2,0,2]=4 479 B11R0.3 C=CCCCCCSCC=CC 62a_100000700193_100000070051 [0,0,0,0,0,0|2,0,2]=4 480 B11R0.3 C=CCCCCCSCCC#N 62a_100000700193_100011215226 [0,0,0,0,0,0|3,0,1]=4 481 B11R0.3 C=CCCCCCSCCC#N 62a_100011215226_100000700193 [0,0,0,0,0,0|3,0,1]=4 482 B11R0.3 C=CCCCCCSCCC=C 62a_100000700193_100000754431 [0,0,0,0,0,0|2,0,2]=4 483 B11R0.3 C=CCCCCCSCCC=C 62a_100000754431_100000700193 [0,0,0,0,0,0|2,0,2]=4 484 B11R0.3 C=CCCCCCSCCCC 62a_100000210211_100000700193 [0,0,0,0,0,0|2,0,0]=2 485 B11R0.3 C=CCCCCCSCCCC 62a_100000700193_100000210210 [0,0,0,0,0,0|2,0,0]=2 486 B11R0.3 C=CCCCCCSCCCF 62a_100000700193_100011934791 [0,0,0,0,0,0|3,0,0]=3 487 B11R0.3 C=CCCCCCSCCCF 62a_100011934791_100000700193 [0,0,0,0,0,0|3,0,0]=3 488 B11R0.3 C=CCCCCCSCCCO 62a_100000700193_100011215043 [0,0,0,0,0,0|3,0,0]=3 489 B11R0.3 C=CCCCCCSCCCO 62a_100011215043_100000700193 [0,0,0,0,0,0|3,0,0]=3 490 B11R0.3 C=CCCCCCSCCOC 62a_100000233755_100000700193 [0,0,0,0,0,0|3,0,0]=3 491 B11R0.3 C=CCCCCCSCCOC 62a_100000700193_100000233755 [0,0,0,0,0,0|3,0,0]=3 492 B11R0.3 C=CCCCCCSCCSC 62a_100000212216_100000700193 [0,0,0,0,0,0|3,0,0]=3 493 B11R0.3 C=CCCCCCSCCSC 62a_100000700193_100000751147 [0,0,0,0,0,0|3,0,0]=3 494 B11R0.3 C=CCCCCCSCOCC 62a_100000700193_100000739092 [0,0,0,0,0,0|3,0,0]=3 495 B11R0.3 C=CCCCCCSCOCC 62a_100000739092_100000700193 [0,0,0,0,0,0|3,0,0]=3 496 B11R0.3 C=CCCCCNC/C=C\CC 2230a_100000703577_100103147603 [0,0,0,0,0,0|2,0,2]=4 497 B11R0.3 C=CCCCCNC/C=C\CC 34a_100000703577_100103147603 [0,0,0,0,0,0|2,0,2]=4 498 B11R0.3 C=CCCCCNCC#CCC 2230a_100000703577_100009813939 [0,0,0,0,0,0|2,0,2]=4 499 B11R0.3 C=CCCCCNCC#CCC 34a_100000703577_100009813939 [0,0,0,0,0,0|2,0,2]=4 500 B11R0.3 C=CCCCCNCCCC#N 2230a_100000703577_100000687738 [0,0,0,0,0,0|3,0,1]=4 501 B11R0.3 C=CCCCCNCCCC=C 2230a_100000700776_100011215482 [0,0,0,0,0,0|2,0,2]=4 502 B11R0.3 C=CCCCCNCCCC=C 2230a_100000703577_100011713584 [0,0,0,0,0,0|2,0,2]=4 503 B11R0.3 C=CCCCCNCCCC=C 34a_100000700776_100011215482 [0,0,0,0,0,0|2,0,2]=4 504 B11R0.3 C=CCCCCNCCCC=C 34a_100000703577_100000757094 [0,0,0,0,0,0|2,0,2]=4 505 B11R0.3 C=CCCCCNCCCC=O 2230a_100000703577_200011292268 [0,0,0,0,0,0|1,0,2]=3 506 B11R0.3 C=CCCCCNCCCCC 2230a_100000209983_100011215482 [0,0,0,0,0,0|2,0,0]=2 507 B11R0.3 C=CCCCCNCCCCC 2230a_100000703577_100000210326 [0,0,0,0,0,0|2,0,0]=2 508 B11R0.3 C=CCCCCNCCCCC 34a_100000703577_100000718602 [0,0,0,0,0,0|2,0,0]=2 509 B11R0.3 C=CCCCCNCCCCF 2230a_100000703577_100000729493 [0,0,0,0,0,0|3,0,0]=3 510 B11R0.3 C=CCCCCNCCCCF 34a_100000703577_100000729493 [0,0,0,0,0,0|3,0,0]=3 511 B11R0.3 C=CCCCCNCCCCO 2230a_100000703577_100000210776 [0,0,0,0,0,0|3,0,0]=3 512 B11R0.3 C=CCCCCNCCCCO 2230a_100000750430_100011215482 [0,0,0,0,0,0|3,0,0]=3 513 B11R0.3 C=CCCCCNCCCCO 34a_100000703577_100011216708 [0,0,0,0,0,0|3,0,0]=3 514 B11R0.3 C=CCCCCNCCCCO 34a_100000750430_100011215482 [0,0,0,0,0,0|3,0,0]=3 515 B11R0.3 C=CCCCCNCCCOC 2230a_100000703577_100000740836 [0,0,0,0,0,0|3,0,0]=3 516 B11R0.3 C=CCCCCNCCCOC 34a_100000703577_100000740836 [0,0,0,0,0,0|3,0,0]=3 517 B11R0.3 C=CCCCCNCCCOC 34a_100150723488_100011215482 [0,0,0,0,0,0|3,0,0]=3 518 B11R0.3 C=CCCCCNCCCSC 2230a_100000749238_100011215482 [0,0,0,0,0,0|3,0,0]=3 519 B11R0.3 C=CCCCCNCCOCC 2230a_100000703577_100011215890 [0,0,0,0,0,0|3,0,0]=3 520 B11R0.3 C=CCCCCNCCOCC 2230a_102516460346_100011215482 [0,0,0,0,0,0|3,0,0]=3 521 B11R0.3 C=CCCCCNCCOCC 34a_100000703577_100000210147 [0,0,0,0,0,0|3,0,0]=3 522 B11R0.3 C=CCCCCNCCOCC 34a_102516460346_100011215482 [0,0,0,0,0,0|3,0,0]=3 523 B11R0.3 C=CCCCCNCCSCC 2230a_100000106463_100011215482 [0,0,0,0,0,0|3,0,0]=3 524 B11R0.3 C=CCCCCNCCSCC 2230a_100000703577_100000757381 [0,0,0,0,0,0|3,0,0]=3 525 B11R0.3 C=CCCCCNCCSCC 34a_100000703577_100000757381 [0,0,0,0,0,0|3,0,0]=3 526 B11R0.3 C=CCCCCOC/C=C\CC 34a_100000766645_100103147603 [0,0,0,0,0,0|2,0,2]=4 527 B11R0.3 C=CCCCCOC/C=C\CC 34a_100016268518_100011215482 [0,0,0,0,0,0|2,0,2]=4 528 B11R0.3 C=CCCCCOC/C=C\CC 7a_100000766645_100103147603 [0,0,0,0,0,0|2,0,2]=4 529 B11R0.3 C=CCCCCOCC#CCC 34a_100000032950_100011215482 [0,0,0,0,0,0|2,0,2]=4 530 B11R0.3 C=CCCCCOCC#CCC 34a_100000766645_100009813939 [0,0,0,0,0,0|2,0,2]=4 531 B11R0.3 C=CCCCCOCC#CCC 7a_100000766645_100009813939 [0,0,0,0,0,0|2,0,2]=4 532 B11R0.3 C=CCCCCOCC/C=C/C 34a_100016278192_100011215482 [0,0,0,0,0,0|2,0,2]=4 533 B11R0.3 C=CCCCCOCCC#CC 34a_100000750427_100011215482 [0,0,0,0,0,0|2,0,2]=4 534 B11R0.3 C=CCCCCOCCCC#N 7a_100000766645_100000687738 [0,0,0,0,0,0|3,0,1]=4 535 B11R0.3 C=CCCCCOCCCC=C 34a_100000758997_100011215482 [0,0,0,0,0,0|2,0,2]=4 536 B11R0.3 C=CCCCCOCCCC=C 34a_100000766645_100000757094 [0,0,0,0,0,0|2,0,2]=4 537 B11R0.3 C=CCCCCOCCCC=C 7a_100000758997_100011215482 [0,0,0,0,0,0|2,0,2]=4 538 B11R0.3 C=CCCCCOCCCC=C 7a_100000766645_100000757094 [0,0,0,0,0,0|2,0,2]=4 539 B11R0.3 C=CCCCCOCCCC=O 7a_100000766645_200011292268 [0,0,0,0,0,0|1,0,2]=3 540 B11R0.3 C=CCCCCOCCCCBr 34a_100011216708_100011215482 [0,0,0,0,0,0|3,0,0]=3 541 B11R0.3 C=CCCCCOCCCCC 34a_100000210253_100011215482 [0,0,0,0,0,0|2,0,0]=2 542 B11R0.3 C=CCCCCOCCCCC 34a_100000766645_100000718602 [0,0,0,0,0,0|2,0,0]=2 543 B11R0.3 C=CCCCCOCCCCC 7a_100000210253_100011215482 [0,0,0,0,0,0|2,0,0]=2 544 B11R0.3 C=CCCCCOCCCCC 7a_100000766645_100000210326 [0,0,0,0,0,0|2,0,0]=2 545 B11R0.3 C=CCCCCOCCCCCl 34a_100000210776_100011215482 [0,0,0,0,0,0|3,0,0]=3 546 B11R0.3 C=CCCCCOCCCCCl 7a_100000210776_100011215482 [0,0,0,0,0,0|3,0,0]=3 547 B11R0.3 C=CCCCCOCCCCF 34a_100000766645_100000729493 [0,0,0,0,0,0|3,0,0]=3 548 B11R0.3 C=CCCCCOCCCCF 34a_100011995726_100011215482 [0,0,0,0,0,0|3,0,0]=3 549 B11R0.3 C=CCCCCOCCCCF 7a_100000766645_100000729493 [0,0,0,0,0,0|3,0,0]=3 550 B11R0.3 C=CCCCCOCCCCF 7a_100011995726_100011215482 [0,0,0,0,0,0|3,0,0]=3 551 B11R0.3 C=CCCCCOCCCCI 34a_200012148704_100011215482 [0,0,0,0,0,0|3,0,0]=3 552 B11R0.3 C=CCCCCOCCCCN 34a_100000750430_100011215482 [0,0,0,0,0,0|3,0,0]=3 553 B11R0.3 C=CCCCCOCCCCO 34a_100000766645_100011216708 [0,0,0,0,0,0|3,0,0]=3 554 B11R0.3 C=CCCCCOCCCCO 7a_100000766645_100000210776 [0,0,0,0,0,0|3,0,0]=3 555 B11R0.3 C=CCCCCOCCCNC 34a_100000213112_100011215482 [0,0,0,0,0,0|3,0,0]=3 556 B11R0.3 C=CCCCCOCCCOC 34a_100000740835_100011215482 [0,0,0,0,0,0|3,0,0]=3 557 B11R0.3 C=CCCCCOCCCOC 34a_100000766645_100000740836 [0,0,0,0,0,0|3,0,0]=3 558 B11R0.3 C=CCCCCOCCCOC 7a_100000766645_100000740836 [0,0,0,0,0,0|3,0,0]=3 559 B11R0.3 C=CCCCCOCCCSC 34a_100000690336_100011215482 [0,0,0,0,0,0|3,0,0]=3 560 B11R0.3 C=CCCCCOCCCSC 7a_100000690336_100011215482 [0,0,0,0,0,0|3,0,0]=3 561 B11R0.3 C=CCCCCOCCOCC 34a_100000210136_100011215482 [0,0,0,0,0,0|3,0,0]=3 562 B11R0.3 C=CCCCCOCCOCC 34a_100000766645_100000210147 [0,0,0,0,0,0|3,0,0]=3 563 B11R0.3 C=CCCCCOCCOCC 7a_100000210136_100011215482 [0,0,0,0,0,0|3,0,0]=3 564 B11R0.3 C=CCCCCOCCOCC 7a_100000766645_100011215890 [0,0,0,0,0,0|3,0,0]=3 565 B11R0.3 C=CCCCCOCCSCC 34a_100000212035_100011215482 [0,0,0,0,0,0|3,0,0]=3 566 B11R0.3 C=CCCCCOCCSCC 34a_100000766645_100000757381 [0,0,0,0,0,0|3,0,0]=3 567 B11R0.3 C=CCCCCOCCSCC 7a_100000212035_100011215482 [0,0,0,0,0,0|3,0,0]=3 568 B11R0.3 C=CCCCCOCCSCC 7a_100000766645_100000757381 [0,0,0,0,0,0|3,0,0]=3 569 B11R0.3 C=CCCCCSC/C=C\CC 62a_100011215482_100103147603 [0,0,0,0,0,0|2,0,2]=4 570 B11R0.3 C=CCCCCSC/C=C\CC 62a_100103147603_100011215482 [0,0,0,0,0,0|2,0,2]=4 571 B11R0.3 C=CCCCCSCC#CCC 62a_100009813939_100011215482 [0,0,0,0,0,0|2,0,2]=4 572 B11R0.3 C=CCCCCSCC#CCC 62a_100011215482_100009813939 [0,0,0,0,0,0|2,0,2]=4 573 B11R0.3 C=CCCCCSCCCC#N 62a_100000687738_100011215482 [0,0,0,0,0,0|3,0,1]=4 574 B11R0.3 C=CCCCCSCCCC#N 62a_100011215482_100000687738 [0,0,0,0,0,0|3,0,1]=4 575 B11R0.3 C=CCCCCSCCCC=C 62a_100011215482_100000757094 [0,0,0,0,0,0|2,0,2]=4 576 B11R0.3 C=CCCCCSCCCC=C 62a_100011713584_100011215482 [0,0,0,0,0,0|2,0,2]=4 577 B11R0.3 C=CCCCCSCCCC=O 62a_100011215482_200011292268 [0,0,0,0,0,0|1,0,2]=3 578 B11R0.3 C=CCCCCSCCCC=O 62a_200011292268_100011215482 [0,0,0,0,0,0|1,0,2]=3 579 B11R0.3 C=CCCCCSCCCCC 62a_100000210326_100011215482 [0,0,0,0,0,0|2,0,0]=2 580 B11R0.3 C=CCCCCSCCCCC 62a_100011215482_100000210326 [0,0,0,0,0,0|2,0,0]=2 581 B11R0.3 C=CCCCCSCCCCF 62a_100000729493_100011215482 [0,0,0,0,0,0|3,0,0]=3 582 B11R0.3 C=CCCCCSCCCCF 62a_100011215482_100000729493 [0,0,0,0,0,0|3,0,0]=3 583 B11R0.3 C=CCCCCSCCCCO 62a_100000210776_100011215482 [0,0,0,0,0,0|3,0,0]=3 584 B11R0.3 C=CCCCCSCCCCO 62a_100011215482_100000210776 [0,0,0,0,0,0|3,0,0]=3 585 B11R0.3 C=CCCCCSCCCOC 62a_100000709357_100011215482 [0,0,0,0,0,0|3,0,0]=3 586 B11R0.3 C=CCCCCSCCCOC 62a_100011215482_100000709357 [0,0,0,0,0,0|3,0,0]=3 587 B11R0.3 C=CCCCCSCCOCC 62a_100000210147_100011215482 [0,0,0,0,0,0|3,0,0]=3 588 B11R0.3 C=CCCCCSCCOCC 62a_100011215482_100011215890 [0,0,0,0,0,0|3,0,0]=3 589 B11R0.3 C=CCCCCSCCSCC 62a_100000757381_100011215482 [0,0,0,0,0,0|3,0,0]=3 590 B11R0.3 C=CCCCCSCCSCC 62a_100011215482_100000757381 [0,0,0,0,0,0|3,0,0]=3 591 B11R0.3 C=CCCCNCC/C=C\CC 2230a_100000700776_100015370543 [0,0,0,0,0,0|2,0,2]=4 592 B11R0.3 C=CCCCNCC/C=C\CC 34a_100000700776_100015370543 [0,0,0,0,0,0|2,0,2]=4 593 B11R0.3 C=CCCCNCCCCC#N 2230a_100000700776_100000211819 [0,0,0,0,0,0|3,0,1]=4 594 B11R0.3 C=CCCCNCCCCC=O 2230a_100000700776_100000139335 [0,0,0,0,0,0|1,0,2]=3 595 B11R0.3 C=CCCCNCCCCCC 2230a_100000210581_100011713584 [0,0,0,0,0,0|2,0,0]=2 596 B11R0.3 C=CCCCNCCCCCC 2230a_100000700776_100000210314 [0,0,0,0,0,0|2,0,0]=2 597 B11R0.3 C=CCCCNCCCCCC 34a_100000700776_100000210314 [0,0,0,0,0,0|2,0,0]=2 598 B11R0.3 C=CCCCNCCCCCF 2230a_100000700776_100000729378 [0,0,0,0,0,0|3,0,0]=3 599 B11R0.3 C=CCCCNCCCCCF 34a_100000700776_100000729378 [0,0,0,0,0,0|3,0,0]=3 600 B11R0.3 C=CCCCNCCCCCO 2230a_100000700776_100000746330 [0,0,0,0,0,0|3,0,0]=3 601 B11R0.3 C=CCCCNCCCCCO 2230a_100000762737_100011713584 [0,0,0,0,0,0|3,0,0]=3 602 B11R0.3 C=CCCCNCCCCCO 34a_100000700776_100000746330 [0,0,0,0,0,0|3,0,0]=3 603 B11R0.3 C=CCCCNCCCCCO 34a_100000762737_100000757094 [0,0,0,0,0,0|3,0,0]=3 604 B11R0.3 C=CCCCNCCCCOC 2230a_100000700776_100000730899 [0,0,0,0,0,0|3,0,0]=3 605 B11R0.3 C=CCCCNCCCCOC 34a_100000700776_100000755781 [0,0,0,0,0,0|3,0,0]=3 606 B11R0.3 C=CCCCNCCCOCC 2230a_100000210961_100011713584 [0,0,0,0,0,0|3,0,0]=3 607 B11R0.3 C=CCCCNCCCOCC 2230a_100000700776_100012232248 [0,0,0,0,0,0|3,0,0]=3 608 B11R0.3 C=CCCCNCCCOCC 34a_100000210961_100000757094 [0,0,0,0,0,0|3,0,0]=3 609 B11R0.3 C=CCCCNCCCOCC 34a_100000700776_100012232248 [0,0,0,0,0,0|3,0,0]=3 610 B11R0.3 C=CCCCNCCOCCC 2230a_100000700776_100011215938 [0,0,0,0,0,0|3,0,0]=3 611 B11R0.3 C=CCCCNCCOCCC 2230a_100161115042_100011713584 [0,0,0,0,0,0|3,0,0]=3 612 B11R0.3 C=CCCCNCCOCCC 34a_100000700776_100011215938 [0,0,0,0,0,0|3,0,0]=3 613 B11R0.3 C=CCCCNCCOCCC 34a_100161115042_100000757094 [0,0,0,0,0,0|3,0,0]=3 614 B11R0.3 C=CCCCNCCOCCO 2230a_100000211614_100011713584 [0,0,0,0,0,0|4,0,0]=4 615 B11R0.3 C=CCCCNCCOCCO 2230a_100000700776_100011215305 [0,0,0,0,0,0|4,0,0]=4 616 B11R0.3 C=CCCCNCCOCCO 34a_100000211614_100000757094 [0,0,0,0,0,0|4,0,0]=4 617 B11R0.3 C=CCCCNCCOCCO 34a_100000700776_100000692535 [0,0,0,0,0,0|4,0,0]=4 618 B11R0.3 C=CCCCNCCSCCC 2230a_100020603323_100011713584 [0,0,0,0,0,0|3,0,0]=3 619 B11R0.3 C=CCCCNCCSCCO 2230a_100011219999_100011713584 [0,0,0,0,0,0|4,0,0]=4 620 B11R0.3 C=CCCCNCOCCCC 2230a_100000700776_100011995733 [0,0,0,0,0,0|3,0,0]=3 621 B11R0.3 C=CCCCNCOCCCC 34a_100000700776_100011995733 [0,0,0,0,0,0|3,0,0]=3 622 B11R0.3 C=CCCCNCOCCOC 2230a_100000700776_100000231047 [0,0,0,0,0,0|4,0,0]=4 623 B11R0.3 C=CCCCOC/C=C/CCC 34a_100016278788_100000757094 [0,0,0,0,0,0|2,0,2]=4 624 B11R0.3 C=CCCCOC/C=C/CCC 7a_100016278788_100000757094 [0,0,0,0,0,0|2,0,2]=4 625 B11R0.3 C=CCCCOCC#CCCC 34a_100000034806_100000757094 [0,0,0,0,0,0|2,0,2]=4 626 B11R0.3 C=CCCCOCC#CCCC 7a_100000034806_100000757094 [0,0,0,0,0,0|2,0,2]=4 627 B11R0.3 C=CCCCOCC/C=C\CC 34a_100000758997_100015370543 [0,0,0,0,0,0|2,0,2]=4 628 B11R0.3 C=CCCCOCC/C=C\CC 34a_100016288707_100000757094 [0,0,0,0,0,0|2,0,2]=4 629 B11R0.3 C=CCCCOCC/C=C\CC 7a_100000758997_100015370543 [0,0,0,0,0,0|2,0,2]=4 630 B11R0.3 C=CCCCOCC/C=C\CC 7a_100016288707_100000757094 [0,0,0,0,0,0|2,0,2]=4 631 B11R0.3 C=CCCCOCCC#CCC 34a_100000036655_100000757094 [0,0,0,0,0,0|2,0,2]=4 632 B11R0.3 C=CCCCOCCC#CCC 7a_100000036655_100000757094 [0,0,0,0,0,0|2,0,2]=4 633 B11R0.3 C=CCCCOCCCC=CC 34a_100020645299_100000757094 [0,0,0,0,0,0|2,0,2]=4 634 B11R0.3 C=CCCCOCCCCC#N 7a_100000758997_100000211819 [0,0,0,0,0,0|3,0,1]=4 635 B11R0.3 C=CCCCOCCCCC=O 7a_100000758997_100000139335 [0,0,0,0,0,0|1,0,2]=3 636 B11R0.3 C=CCCCOCCCCCBr 34a_100000746331_100000757094 [0,0,0,0,0,0|3,0,0]=3 637 B11R0.3 C=CCCCOCCCCCBr 7a_100000746331_100000757094 [0,0,0,0,0,0|3,0,0]=3 638 B11R0.3 C=CCCCOCCCCCC 34a_100000210259_100000757094 [0,0,0,0,0,0|2,0,0]=2 639 B11R0.3 C=CCCCOCCCCCC 34a_100000758997_100000210314 [0,0,0,0,0,0|2,0,0]=2 640 B11R0.3 C=CCCCOCCCCCC 7a_100000210259_100000757094 [0,0,0,0,0,0|2,0,0]=2 641 B11R0.3 C=CCCCOCCCCCC 7a_100000758997_100000210314 [0,0,0,0,0,0|2,0,0]=2 642 B11R0.3 C=CCCCOCCCCCCl 34a_100000746330_100000757094 [0,0,0,0,0,0|3,0,0]=3 643 B11R0.3 C=CCCCOCCCCCCl 7a_100000746330_100000757094 [0,0,0,0,0,0|3,0,0]=3 644 B11R0.3 C=CCCCOCCCCCF 34a_100000758997_100000729378 [0,0,0,0,0,0|3,0,0]=3 645 B11R0.3 C=CCCCOCCCCCF 7a_100000758997_100000729378 [0,0,0,0,0,0|3,0,0]=3 646 B11R0.3 C=CCCCOCCCCCI 34a_200012148887_100000757094 [0,0,0,0,0,0|3,0,0]=3 647 B11R0.3 C=CCCCOCCCCCI 7a_200012148887_100000757094 [0,0,0,0,0,0|3,0,0]=3 648 B11R0.3 C=CCCCOCCCCCN 34a_100000762737_100000757094 [0,0,0,0,0,0|3,0,0]=3 649 B11R0.3 C=CCCCOCCCCCO 34a_100000758997_100000746330 [0,0,0,0,0,0|3,0,0]=3 650 B11R0.3 C=CCCCOCCCCCO 7a_100000758997_100000746330 [0,0,0,0,0,0|3,0,0]=3 651 B11R0.3 C=CCCCOCCCCOC 34a_100000740925_100000757094 [0,0,0,0,0,0|3,0,0]=3 652 B11R0.3 C=CCCCOCCCCOC 34a_100000758997_100000755781 [0,0,0,0,0,0|3,0,0]=3 653 B11R0.3 C=CCCCOCCCCOC 7a_100000758997_100000730899 [0,0,0,0,0,0|3,0,0]=3 654 B11R0.3 C=CCCCOCCCCSC 34a_100011217163_100000757094 [0,0,0,0,0,0|3,0,0]=3 655 B11R0.3 C=CCCCOCCCCSC 7a_100011217163_100000757094 [0,0,0,0,0,0|3,0,0]=3 656 B11R0.3 C=CCCCOCCCOCC 34a_100000757476_100000757094 [0,0,0,0,0,0|3,0,0]=3 657 B11R0.3 C=CCCCOCCCOCC 34a_100000758997_100012232248 [0,0,0,0,0,0|3,0,0]=3 658 B11R0.3 C=CCCCOCCCOCC 7a_100000757476_100000757094 [0,0,0,0,0,0|3,0,0]=3 659 B11R0.3 C=CCCCOCCCOCC 7a_100000758997_100012232248 [0,0,0,0,0,0|3,0,0]=3 660 B11R0.3 C=CCCCOCCCSCC 34a_100011216438_100000757094 [0,0,0,0,0,0|3,0,0]=3 661 B11R0.3 C=CCCCOCCCSCC 7a_100011216438_100000757094 [0,0,0,0,0,0|3,0,0]=3 662 B11R0.3 C=CCCCOCCOCCBr 34a_100000692535_100000757094 [0,0,0,0,0,0|4,0,0]=4 663 B11R0.3 C=CCCCOCCOCCBr 7a_100000692535_100000757094 [0,0,0,0,0,0|4,0,0]=4 664 B11R0.3 C=CCCCOCCOCCC 34a_100000752267_100000757094 [0,0,0,0,0,0|3,0,0]=3 665 B11R0.3 C=CCCCOCCOCCC 34a_100000758997_100011215938 [0,0,0,0,0,0|3,0,0]=3 666 B11R0.3 C=CCCCOCCOCCC 7a_100000752267_100000757094 [0,0,0,0,0,0|3,0,0]=3 667 B11R0.3 C=CCCCOCCOCCC 7a_100000758997_100011215938 [0,0,0,0,0,0|3,0,0]=3 668 B11R0.3 C=CCCCOCCOCCCl 34a_100011215305_100000757094 [0,0,0,0,0,0|4,0,0]=4 669 B11R0.3 C=CCCCOCCOCCCl 7a_100011215305_100000757094 [0,0,0,0,0,0|4,0,0]=4 670 B11R0.3 C=CCCCOCCOCCF 34a_200015357709_100000757094 [0,0,0,0,0,0|4,0,0]=4 671 B11R0.3 C=CCCCOCCOCCF 7a_200015357709_100000757094 [0,0,0,0,0,0|4,0,0]=4 672 B11R0.3 C=CCCCOCCOCCI 34a_100012149058_100000757094 [0,0,0,0,0,0|4,0,0]=4 673 B11R0.3 C=CCCCOCCOCCI 7a_100012149058_100000757094 [0,0,0,0,0,0|4,0,0]=4 674 B11R0.3 C=CCCCOCCOCCN 34a_100000211614_100000757094 [0,0,0,0,0,0|4,0,0]=4 675 B11R0.3 C=CCCCOCCOCCO 34a_100000758997_100000692535 [0,0,0,0,0,0|4,0,0]=4 676 B11R0.3 C=CCCCOCCOCCO 7a_100000758997_100011215305 [0,0,0,0,0,0|4,0,0]=4 677 B11R0.3 C=CCCCOCCSCCC 34a_200000230433_100000757094 [0,0,0,0,0,0|3,0,0]=3 678 B11R0.3 C=CCCCOCCSCCC 7a_200000230433_100000757094 [0,0,0,0,0,0|3,0,0]=3 679 B11R0.3 C=CCCCOCOCCCC 34a_100000758997_100011995733 [0,0,0,0,0,0|3,0,0]=3 680 B11R0.3 C=CCCCSCC/C=C\CC 62a_100011713584_100015370543 [0,0,0,0,0,0|2,0,2]=4 681 B11R0.3 C=CCCCSCC/C=C\CC 62a_100015370543_100000757094 [0,0,0,0,0,0|2,0,2]=4 682 B11R0.3 C=CCCCSCCCCC#N 62a_100011219923_100000757094 [0,0,0,0,0,0|3,0,1]=4 683 B11R0.3 C=CCCCSCCCCC#N 62a_100011713584_100000211819 [0,0,0,0,0,0|3,0,1]=4 684 B11R0.3 C=CCCCSCCCCC=O 62a_100000139335_100000757094 [0,0,0,0,0,0|1,0,2]=3 685 B11R0.3 C=CCCCSCCCCC=O 62a_100011713584_100000139335 [0,0,0,0,0,0|1,0,2]=3 686 B11R0.3 C=CCCCSCCCCCC 62a_100000210314_100000757094 [0,0,0,0,0,0|2,0,0]=2 687 B11R0.3 C=CCCCSCCCCCC 62a_100011713584_100000210757 [0,0,0,0,0,0|2,0,0]=2 688 B11R0.3 C=CCCCSCCCCCF 62a_100000729378_100000757094 [0,0,0,0,0,0|3,0,0]=3 689 B11R0.3 C=CCCCSCCCCCF 62a_100011713584_100000729378 [0,0,0,0,0,0|3,0,0]=3 690 B11R0.3 C=CCCCSCCCCCO 62a_100000746330_100000757094 [0,0,0,0,0,0|3,0,0]=3 691 B11R0.3 C=CCCCSCCCCCO 62a_100011713584_100000746330 [0,0,0,0,0,0|3,0,0]=3 692 B11R0.3 C=CCCCSCCCCOC 62a_100000730899_100000757094 [0,0,0,0,0,0|3,0,0]=3 693 B11R0.3 C=CCCCSCCCCOC 62a_100011713584_100000730899 [0,0,0,0,0,0|3,0,0]=3 694 B11R0.3 C=CCCCSCCCOCC 62a_100011713584_100012232248 [0,0,0,0,0,0|3,0,0]=3 695 B11R0.3 C=CCCCSCCCOCC 62a_100012232248_100000757094 [0,0,0,0,0,0|3,0,0]=3 696 B11R0.3 C=CCCCSCCOCCC 62a_100011215938_100000757094 [0,0,0,0,0,0|3,0,0]=3 697 B11R0.3 C=CCCCSCCOCCC 62a_100011713584_100011215938 [0,0,0,0,0,0|3,0,0]=3 698 B11R0.3 C=CCCCSCCOCCO 62a_100011215305_100000757094 [0,0,0,0,0,0|4,0,0]=4 699 B11R0.3 C=CCCCSCCOCCO 62a_100011713584_100011215305 [0,0,0,0,0,0|4,0,0]=4 700 B11R0.3 C=CCCCSCOCCCC 62a_100011713584_100011995733 [0,0,0,0,0,0|3,0,0]=3 701 B11R0.3 C=CCCCSCOCCCC 62a_100011995733_100000757094 [0,0,0,0,0,0|3,0,0]=3 702 B11R0.3 C=CCCCSCOCCOC 62a_100000231047_100000757094 [0,0,0,0,0,0|4,0,0]=4 703 B11R0.3 C=CCCCSCOCCOC 62a_100011713584_100000231047 [0,0,0,0,0,0|4,0,0]=4 704 B11R0.3 C=CCCNCCCCCC#N 2230a_100015191253_100009813376 [0,0,0,0,0,0|3,0,1]=4 705 B11R0.3 C=CCCNCCCCCC=O 2230a_100015191253_100000139337 [0,0,0,0,0,0|1,0,2]=3 706 B11R0.3 C=CCCNCCCCCCC 2230a_100000229938_100000754431 [0,0,0,0,0,0|2,0,0]=2 707 B11R0.3 C=CCCNCCCCCCC 2230a_100015191253_100000210681 [0,0,0,0,0,0|2,0,0]=2 708 B11R0.3 C=CCCNCCCCCCF 2230a_100015191253_100015922095 [0,0,0,0,0,0|3,0,0]=3 709 B11R0.3 C=CCCNCCCCCCO 2230a_100000686447_100000754431 [0,0,0,0,0,0|3,0,0]=3 710 B11R0.3 C=CCCNCCCCCCO 2230a_100015191253_100000766143 [0,0,0,0,0,0|3,0,0]=3 711 B11R0.3 C=CCCNCCCCCCO 34a_100000686447_100000754431 [0,0,0,0,0,0|3,0,0]=3 712 B11R0.3 C=CCCNCCCCCOC 2230a_100000747528_100000754431 [0,0,0,0,0,0|3,0,0]=3 713 B11R0.3 C=CCCNCCCCCOC 34a_100000747528_100000754431 [0,0,0,0,0,0|3,0,0]=3 714 B11R0.3 C=CCCNCCCOCCC 2230a_100011217757_100000754431 [0,0,0,0,0,0|3,0,0]=3 715 B11R0.3 C=CCCNCCCOCCC 34a_100011217757_100000754431 [0,0,0,0,0,0|3,0,0]=3 716 B11R0.3 C=CCCNCCOCCCC 2230a_100015191253_100000743108 [0,0,0,0,0,0|3,0,0]=3 717 B11R0.3 C=CCCNCCOCCOC 2230a_100000745349_100000754431 [0,0,0,0,0,0|4,0,0]=4 718 B11R0.3 C=CCCNCCOCCOC 2230a_100015191253_100000695917 [0,0,0,0,0,0|4,0,0]=4 719 B11R0.3 C=CCCNCCOCCOC 34a_100000745349_100000754431 [0,0,0,0,0,0|4,0,0]=4 720 B11R0.3 C=CCCNCCSCCCC 2230a_100025743550_100000754431 [0,0,0,0,0,0|3,0,0]=3 721 B11R0.3 C=CCCOC/C=C/CCCC 34a_200016272032_100000754431 [0,0,0,0,0,0|2,0,2]=4 722 B11R0.3 C=CCCOC/C=C/CCCC 7a_200016272032_100000754431 [0,0,0,0,0,0|2,0,2]=4 723 B11R0.3 C=CCCOCC#CCCCC 34a_200000034558_100000754431 [0,0,0,0,0,0|2,0,2]=4 724 B11R0.3 C=CCCOCC#CCCCC 7a_200000034558_100000754431 [0,0,0,0,0,0|2,0,2]=4 725 B11R0.3 C=CCCOCCC#CCCC 34a_100000042726_100000754431 [0,0,0,0,0,0|2,0,2]=4 726 B11R0.3 C=CCCOCCC#CCCC 7a_100000042726_100000754431 [0,0,0,0,0,0|2,0,2]=4 727 B11R0.3 C=CCCOCCC/C=C/CC 34a_100016287902_100000754431 [0,0,0,0,0,0|2,0,2]=4 728 B11R0.3 C=CCCOCCC/C=C/CC 7a_100016287902_100000754431 [0,0,0,0,0,0|2,0,2]=4 729 B11R0.3 C=CCCOCCCCCCBr 34a_100011215345_100000754431 [0,0,0,0,0,0|3,0,0]=3 730 B11R0.3 C=CCCOCCCCCCBr 7a_100011215345_100000754431 [0,0,0,0,0,0|3,0,0]=3 731 B11R0.3 C=CCCOCCCCCCC 34a_100000210272_100000754431 [0,0,0,0,0,0|2,0,0]=2 732 B11R0.3 C=CCCOCCCCCCC 34a_100011205117_100000210614 [0,0,0,0,0,0|2,0,0]=2 733 B11R0.3 C=CCCOCCCCCCC 7a_100000210272_100000754431 [0,0,0,0,0,0|2,0,0]=2 734 B11R0.3 C=CCCOCCCCCCCl 34a_100000766143_100000754431 [0,0,0,0,0,0|3,0,0]=3 735 B11R0.3 C=CCCOCCCCCCCl 7a_100000766143_100000754431 [0,0,0,0,0,0|3,0,0]=3 736 B11R0.3 C=CCCOCCCCCCF 34a_100000732779_100000754431 [0,0,0,0,0,0|3,0,0]=3 737 B11R0.3 C=CCCOCCCCCCF 34a_100011205117_100015922095 [0,0,0,0,0,0|3,0,0]=3 738 B11R0.3 C=CCCOCCCCCCF 7a_100000732779_100000754431 [0,0,0,0,0,0|3,0,0]=3 739 B11R0.3 C=CCCOCCCCCCN 34a_100000686447_100000754431 [0,0,0,0,0,0|3,0,0]=3 740 B11R0.3 C=CCCOCCCCCCO 34a_100011205117_100000766143 [0,0,0,0,0,0|3,0,0]=3 741 B11R0.3 C=CCCOCCCCCNC 34a_100000722520_100000754431 [0,0,0,0,0,0|3,0,0]=3 742 B11R0.3 C=CCCOCCOCCCC 34a_100000210238_100000754431 [0,0,0,0,0,0|3,0,0]=3 743 B11R0.3 C=CCCOCCOCCCC 34a_100011205117_100000743108 [0,0,0,0,0,0|3,0,0]=3 744 B11R0.3 C=CCCOCCOCCCC 7a_100000210238_100000754431 [0,0,0,0,0,0|3,0,0]=3 745 B11R0.3 C=CCCOCCOCCNC 34a_100000228057_100000754431 [0,0,0,0,0,0|4,0,0]=4 746 B11R0.3 C=CCCOCCOCCOC 34a_100011205117_100000695917 [0,0,0,0,0,0|4,0,0]=4 747 B11R0.3 C=CCCOCCOCCOC 34a_100011215163_100000754431 [0,0,0,0,0,0|4,0,0]=4 748 B11R0.3 C=CCCOCCOCCOC 7a_100011215163_100000754431 [0,0,0,0,0,0|4,0,0]=4 749 B11R0.3 C=CCCOCCSCCCC 34a_200000230436_100000754431 [0,0,0,0,0,0|3,0,0]=3 750 B11R0.3 C=CCCOCCSCCCC 7a_200000230436_100000754431 [0,0,0,0,0,0|3,0,0]=3 751 B11R0.3 C=CCCSCCCCCC#N 62a_100000754431_100009813376 [0,0,0,0,0,0|3,0,1]=4 752 B11R0.3 C=CCCSCCCCCC#N 62a_100009813376_100000754431 [0,0,0,0,0,0|3,0,1]=4 753 B11R0.3 C=CCCSCCCCCC=O 62a_100000139337_100000754431 [0,0,0,0,0,0|1,0,2]=3 754 B11R0.3 C=CCCSCCCCCC=O 62a_100000754431_100000139337 [0,0,0,0,0,0|1,0,2]=3 755 B11R0.3 C=CCCSCCCCCCC 62a_100000210614_100000754431 [0,0,0,0,0,0|2,0,0]=2 756 B11R0.3 C=CCCSCCCCCCC 62a_100000754431_100000210316 [0,0,0,0,0,0|2,0,0]=2 757 B11R0.3 C=CCCSCCCCCCF 62a_100000754431_100015922095 [0,0,0,0,0,0|3,0,0]=3 758 B11R0.3 C=CCCSCCCCCCF 62a_100015922095_100000754431 [0,0,0,0,0,0|3,0,0]=3 759 B11R0.3 C=CCCSCCCCCCO 62a_100000754431_100000766143 [0,0,0,0,0,0|3,0,0]=3 760 B11R0.3 C=CCCSCCCCCCO 62a_100000766143_100000754431 [0,0,0,0,0,0|3,0,0]=3 761 B11R0.3 C=CCCSCCOCCCC 62a_100000743108_100000754431 [0,0,0,0,0,0|3,0,0]=3 762 B11R0.3 C=CCCSCCOCCCC 62a_100000754431_100000743108 [0,0,0,0,0,0|3,0,0]=3 763 B11R0.3 C=CCCSCCOCCOC 62a_100000695917_100000754431 [0,0,0,0,0,0|4,0,0]=4 764 B11R0.3 C=CCCSCCOCCOC 62a_100000754431_100000695917 [0,0,0,0,0,0|4,0,0]=4 765 B11R0.3 C=CCNCC#CCCCCC 2230a_100020586998_100009816472 [0,0,0,0,0,0|2,0,2]=4 766 B11R0.3 C=CCNCCCCCCC#N 2230a_100020586998_100009813337 [0,0,0,0,0,0|3,0,1]=4 767 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [0,0,0,0,0,0|2,0,0]=2 768 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [0,0,0,0,0,0|2,0,0]=2 769 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [0,0,0,0,0,0|2,0,0]=2 770 B11R0.3 C=CCNCCCCCCCO 2230a_100011996573_100000210623 [0,0,0,0,0,0|3,0,0]=3 771 B11R0.3 C=CCNCCCCCCCO 2230a_100020586998_100000760002 [0,0,0,0,0,0|3,0,0]=3 772 B11R0.3 C=CCNCCCCCCCO 34a_100011996573_100015514636 [0,0,0,0,0,0|3,0,0]=3 773 B11R0.3 C=CCNCCCCCCOC 2230a_100020586998_100011998445 [0,0,0,0,0,0|3,0,0]=3 774 B11R0.3 C=CCNCCCOCCCC 2230a_200000211371_100000210623 [0,0,0,0,0,0|3,0,0]=3 775 B11R0.3 C=CCNCCCOCCCC 34a_200000211371_100015514636 [0,0,0,0,0,0|3,0,0]=3 776 B11R0.3 C=CCNCCCOCCCO 2230a_100011310245_100000210623 [0,0,0,0,0,0|4,0,0]=4 777 B11R0.3 C=CCNCCCOCCCO 34a_100011310245_100015514636 [0,0,0,0,0,0|4,0,0]=4 778 B11R0.3 C=CCNCCCOCCOC 2230a_100000206027_100000210623 [0,0,0,0,0,0|4,0,0]=4 779 B11R0.3 C=CCNCCCOCCOC 2230a_100020586998_100011216529 [0,0,0,0,0,0|4,0,0]=4 780 B11R0.3 C=CCNCCCOCCOC 34a_100000206027_100015514636 [0,0,0,0,0,0|4,0,0]=4 781 B11R0.3 C=CCNCCOCCOCC 2230a_100020586998_100011211534 [0,0,0,0,0,0|4,0,0]=4 782 B11R0.3 C=CCNCCOCCOCC 2230a_100102712874_100000210623 [0,0,0,0,0,0|4,0,0]=4 783 B11R0.3 C=CCNCCOCCOCC 34a_100102712874_100015514636 [0,0,0,0,0,0|4,0,0]=4 784 B11R0.3 C=CCOC/C=C/CCCCC 34a_100016258190_100015514636 [0,0,0,0,0,0|2,0,2]=4 785 B11R0.3 C=CCOC/C=C/CCCCC 7a_100016258190_100015514636 [0,0,0,0,0,0|2,0,2]=4 786 B11R0.3 C=CCOCC#CCCCCC 34a_200000033628_100015514636 [0,0,0,0,0,0|2,0,2]=4 787 B11R0.3 C=CCOCC#CCCCCC 34a_200000210373_100009816472 [0,0,0,0,0,0|2,0,2]=4 788 B11R0.3 C=CCOCC#CCCCCC 7a_200000033628_100015514636 [0,0,0,0,0,0|2,0,2]=4 789 B11R0.3 C=CCOCC/C=C\CCCC 34a_200016286491_100015514636 [0,0,0,0,0,0|2,0,2]=4 790 B11R0.3 C=CCOCC/C=C\CCCC 7a_200016286491_100015514636 [0,0,0,0,0,0|2,0,2]=4 791 B11R0.3 C=CCOCCC#CCCCC 34a_100000037610_100015514636 [0,0,0,0,0,0|2,0,2]=4 792 B11R0.3 C=CCOCCC#CCCCC 7a_100000037610_100015514636 [0,0,0,0,0,0|2,0,2]=4 793 B11R0.3 C=CCOCCCC/C=C\CC 34a_100016287862_100015514636 [0,0,0,0,0,0|2,0,2]=4 794 B11R0.3 C=CCOCCCC/C=C\CC 7a_100016287862_100015514636 [0,0,0,0,0,0|2,0,2]=4 795 B11R0.3 C=CCOCCCCCCCBr 34a_100000760002_100015514636 [0,0,0,0,0,0|3,0,0]=3 796 B11R0.3 C=CCOCCCCCCCBr 7a_100000760002_100015514636 [0,0,0,0,0,0|3,0,0]=3 797 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [0,0,0,0,0,0|2,0,0]=2 798 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [0,0,0,0,0,0|2,0,0]=2 799 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [0,0,0,0,0,0|2,0,0]=2 800 B11R0.3 C=CCOCCCCCCCN 34a_100011996573_100015514636 [0,0,0,0,0,0|3,0,0]=3 801 B11R0.3 C=CCOCCCCCCCO 34a_200000210373_100000760002 [0,0,0,0,0,0|3,0,0]=3 802 B11R0.3 C=CCOCCCCCCOC 34a_200000210373_100011998445 [0,0,0,0,0,0|3,0,0]=3 803 B11R0.3 C=CCOCCCCCCOC 34a_200012092642_100015514636 [0,0,0,0,0,0|3,0,0]=3 804 B11R0.3 C=CCOCCCCCCOC 7a_200012092642_100015514636 [0,0,0,0,0,0|3,0,0]=3 805 B11R0.3 C=CCOCCCOCCCC 34a_200011215613_100015514636 [0,0,0,0,0,0|3,0,0]=3 806 B11R0.3 C=CCOCCCOCCCC 7a_200011215613_100015514636 [0,0,0,0,0,0|3,0,0]=3 807 B11R0.3 C=CCOCCCOCCCN 34a_100011310245_100015514636 [0,0,0,0,0,0|4,0,0]=4 808 B11R0.3 C=CCOCCCOCCOC 34a_200000210373_100011216529 [0,0,0,0,0,0|4,0,0]=4 809 B11R0.3 C=CCOCCNCCCCC 34a_100000224656_100015514636 [0,0,0,0,0,0|3,0,0]=3 810 B11R0.3 C=CCOCCOCCCC=O 7a_100000037705_200011292268 [0,0,0,0,0,0|2,0,2]=4 811 B11R0.3 C=CCOCCOCCCCC 34a_100000037705_100000718602 [0,0,0,0,0,0|3,0,0]=3 812 B11R0.3 C=CCOCCOCCCCC 34a_100011215259_100015514636 [0,0,0,0,0,0|3,0,0]=3 813 B11R0.3 C=CCOCCOCCCCC 7a_100000037705_100000210326 [0,0,0,0,0,0|3,0,0]=3 814 B11R0.3 C=CCOCCOCCCCC 7a_100011215259_100015514636 [0,0,0,0,0,0|3,0,0]=3 815 B11R0.3 C=CCOCCOCCCCF 34a_100000037705_100000729493 [0,0,0,0,0,0|4,0,0]=4 816 B11R0.3 C=CCOCCOCCCCF 7a_100000037705_100000729493 [0,0,0,0,0,0|4,0,0]=4 817 B11R0.3 C=CCOCCOCCCCO 34a_100000037705_100011216708 [0,0,0,0,0,0|4,0,0]=4 818 B11R0.3 C=CCOCCOCCCCO 7a_100000037705_100000210776 [0,0,0,0,0,0|4,0,0]=4 819 B11R0.3 C=CCOCCOCCCOC 34a_100000037705_100000740836 [0,0,0,0,0,0|4,0,0]=4 820 B11R0.3 C=CCOCCOCCCOC 7a_100000037705_100000740836 [0,0,0,0,0,0|4,0,0]=4 821 B11R0.3 C=CCOCCOCCOCC 34a_100000037705_100000210147 [0,0,0,0,0,0|4,0,0]=4 822 B11R0.3 C=CCOCCOCCOCC 34a_100000065479_100000210202 [0,0,0,0,0,0|4,0,0]=4 823 B11R0.3 C=CCOCCOCCOCC 34a_100000210240_100015514636 [0,0,0,0,0,0|4,0,0]=4 824 B11R0.3 C=CCOCCOCCOCC 34a_200000210373_100011211534 [0,0,0,0,0,0|4,0,0]=4 825 B11R0.3 C=CCOCCOCCOCC 7a_100000037705_100011215890 [0,0,0,0,0,0|4,0,0]=4 826 B11R0.3 C=CCOCCOCCOCC 7a_100000065479_100000210202 [0,0,0,0,0,0|4,0,0]=4 827 B11R0.3 C=CCOCCOCCOCC 7a_100000210240_100015514636 [0,0,0,0,0,0|4,0,0]=4 828 B11R0.3 C=CCOCCOCCSCC 34a_100000037705_100000757381 [0,0,0,0,0,0|4,0,0]=4 829 B11R0.3 C=CCOCCOCCSCC 7a_100000037705_100000757381 [0,0,0,0,0,0|4,0,0]=4 830 B11R0.3 C=CCSCC#CCCCCC 62a_100000210623_100009816472 [0,0,0,0,0,0|2,0,2]=4 831 B11R0.3 C=CCSCC#CCCCCC 62a_100009816472_100000210623 [0,0,0,0,0,0|2,0,2]=4 832 B11R0.3 C=CCSCCCCCCC#N 62a_100000210623_100009813337 [0,0,0,0,0,0|3,0,1]=4 833 B11R0.3 C=CCSCCCCCCC#N 62a_100009813337_100000210623 [0,0,0,0,0,0|3,0,1]=4 834 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [0,0,0,0,0,0|2,0,0]=2 835 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [0,0,0,0,0,0|2,0,0]=2 836 B11R0.3 C=CCSCCCCCCCO 62a_100000210623_100000760002 [0,0,0,0,0,0|3,0,0]=3 837 B11R0.3 C=CCSCCCCCCCO 62a_100000760002_100000210623 [0,0,0,0,0,0|3,0,0]=3 838 B11R0.3 C=CCSCCCCCCOC 62a_100000210623_100011998445 [0,0,0,0,0,0|3,0,0]=3 839 B11R0.3 C=CCSCCCCCCOC 62a_100011998445_100000210623 [0,0,0,0,0,0|3,0,0]=3 840 B11R0.3 C=CCSCCCOCCOC 62a_100000210623_100011216529 [0,0,0,0,0,0|4,0,0]=4 841 B11R0.3 C=CCSCCCOCCOC 62a_100011216529_100000210623 [0,0,0,0,0,0|4,0,0]=4 842 B11R0.3 C=CCSCCOCCOCC 62a_100000210623_100011211534 [0,0,0,0,0,0|4,0,0]=4 843 B11R0.3 C=CCSCCOCCOCC 62a_100011211534_100000210623 [0,0,0,0,0,0|4,0,0]=4 844 B11R0.3 C=COCCCCOCCCC 34a_100000031558_100000210210 [0,0,0,0,0,0|3,0,0]=3 845 B11R0.3 C=COCCCCOCCCC 7a_100000031558_100000210211 [0,0,0,0,0,0|3,0,0]=3 846 B11R0.3 C=COCCCCOCCCF 34a_100000031558_100011934791 [0,0,0,0,0,0|4,0,0]=4 847 B11R0.3 C=COCCCCOCCCF 7a_100000031558_100011934791 [0,0,0,0,0,0|4,0,0]=4 848 B11R0.3 C=COCCCCOCCCO 34a_100000031558_100000230001 [0,0,0,0,0,0|4,0,0]=4 849 B11R0.3 C=COCCCCOCCCO 7a_100000031558_100011215043 [0,0,0,0,0,0|4,0,0]=4 850 B11R0.3 C=COCCCCOCCOC 34a_100000031558_100011201679 [0,0,0,0,0,0|4,0,0]=4 851 B11R0.3 C=COCCCCOCCOC 7a_100000031558_100000233755 [0,0,0,0,0,0|4,0,0]=4 852 B11R0.3 C=COCCCCOCCSC 34a_100000031558_100000212216 [0,0,0,0,0,0|4,0,0]=4 853 B11R0.3 C=COCCCCOCCSC 7a_100000031558_100000212216 [0,0,0,0,0,0|4,0,0]=4 854 B11R0.3 C=COCCCNCCCC=O 2230a_100000210767_200011292268 [0,0,0,0,0,0|2,0,2]=4 855 B11R0.3 C=COCCCNCCCCC 2230a_100000210767_100000210326 [0,0,0,0,0,0|3,0,0]=3 856 B11R0.3 C=COCCCNCCCCC 34a_100000210767_100000718602 [0,0,0,0,0,0|3,0,0]=3 857 B11R0.3 C=COCCCNCCCCF 2230a_100000210767_100000729493 [0,0,0,0,0,0|4,0,0]=4 858 B11R0.3 C=COCCCNCCCCF 34a_100000210767_100000729493 [0,0,0,0,0,0|4,0,0]=4 859 B11R0.3 C=COCCCNCCCCO 2230a_100000210767_100000210776 [0,0,0,0,0,0|4,0,0]=4 860 B11R0.3 C=COCCCNCCCCO 34a_100000210767_100011216708 [0,0,0,0,0,0|4,0,0]=4 861 B11R0.3 C=COCCCNCCCOC 2230a_100000210767_100000740836 [0,0,0,0,0,0|4,0,0]=4 862 B11R0.3 C=COCCCNCCCOC 34a_100000210767_100000740836 [0,0,0,0,0,0|4,0,0]=4 863 B11R0.3 C=COCCCNCCOCC 2230a_100000210767_100011215890 [0,0,0,0,0,0|4,0,0]=4 864 B11R0.3 C=COCCCNCCOCC 34a_100000210767_100000210147 [0,0,0,0,0,0|4,0,0]=4 865 B11R0.3 C=COCCCNCCSCC 2230a_100000210767_100000757381 [0,0,0,0,0,0|4,0,0]=4 866 B11R0.3 C=COCCCNCCSCC 34a_100000210767_100000757381 [0,0,0,0,0,0|4,0,0]=4 867 B11R0.3 C=COCCNCCCCCC 2230a_100000210581_100000039644 [0,0,0,0,0,0|3,0,0]=3 868 B11R0.3 C=COCCNCCCCCO 2230a_100000762737_100000039644 [0,0,0,0,0,0|4,0,0]=4 869 B11R0.3 C=COCCNCCCCCO 34a_100000762737_100000039644 [0,0,0,0,0,0|4,0,0]=4 870 B11R0.3 C=COCCNCCCOCC 2230a_100000210961_100000039644 [0,0,0,0,0,0|4,0,0]=4 871 B11R0.3 C=COCCNCCCOCC 34a_100000210961_100000039644 [0,0,0,0,0,0|4,0,0]=4 872 B11R0.3 C=COCCNCCOCCC 2230a_100161115042_100000039644 [0,0,0,0,0,0|4,0,0]=4 873 B11R0.3 C=COCCNCCOCCC 34a_100161115042_100000039644 [0,0,0,0,0,0|4,0,0]=4 874 B11R0.3 C=COCCNCCSCCC 2230a_100020603323_100000039644 [0,0,0,0,0,0|4,0,0]=4 875 B11R0.3 C=COCCOCCCCCBr 34a_100000746331_100000039644 [0,0,0,0,0,0|4,0,0]=4 876 B11R0.3 C=COCCOCCCCCBr 7a_100000746331_100000039644 [0,0,0,0,0,0|4,0,0]=4 877 B11R0.3 C=COCCOCCCCCC 34a_100000033082_100000210314 [0,0,0,0,0,0|3,0,0]=3 878 B11R0.3 C=COCCOCCCCCC 34a_100000210259_100000039644 [0,0,0,0,0,0|3,0,0]=3 879 B11R0.3 C=COCCOCCCCCC 7a_100000210259_100000039644 [0,0,0,0,0,0|3,0,0]=3 880 B11R0.3 C=COCCOCCCCCCl 34a_100000746330_100000039644 [0,0,0,0,0,0|4,0,0]=4 881 B11R0.3 C=COCCOCCCCCCl 7a_100000746330_100000039644 [0,0,0,0,0,0|4,0,0]=4 882 B11R0.3 C=COCCOCCCCCF 34a_100000033082_100000729378 [0,0,0,0,0,0|4,0,0]=4 883 B11R0.3 C=COCCOCCCCCI 34a_200012148887_100000039644 [0,0,0,0,0,0|4,0,0]=4 884 B11R0.3 C=COCCOCCCCCI 7a_200012148887_100000039644 [0,0,0,0,0,0|4,0,0]=4 885 B11R0.3 C=COCCOCCCCCN 34a_100000762737_100000039644 [0,0,0,0,0,0|4,0,0]=4 886 B11R0.3 C=COCCOCCCCCO 34a_100000033082_100000746330 [0,0,0,0,0,0|4,0,0]=4 887 B11R0.3 C=COCCOCCCCOC 34a_100000033082_100000755781 [0,0,0,0,0,0|4,0,0]=4 888 B11R0.3 C=COCCOCCCCOC 34a_100000740925_100000039644 [0,0,0,0,0,0|4,0,0]=4 889 B11R0.3 C=COCCOCCCCSC 34a_100011217163_100000039644 [0,0,0,0,0,0|4,0,0]=4 890 B11R0.3 C=COCCOCCCCSC 7a_100011217163_100000039644 [0,0,0,0,0,0|4,0,0]=4 891 B11R0.3 C=COCCOCCCOCC 34a_100000033082_100012232248 [0,0,0,0,0,0|4,0,0]=4 892 B11R0.3 C=COCCOCCCOCC 34a_100000757476_100000039644 [0,0,0,0,0,0|4,0,0]=4 893 B11R0.3 C=COCCOCCCOCC 7a_100000757476_100000039644 [0,0,0,0,0,0|4,0,0]=4 894 B11R0.3 C=COCCOCCCSCC 34a_100011216438_100000039644 [0,0,0,0,0,0|4,0,0]=4 895 B11R0.3 C=COCCOCCCSCC 7a_100011216438_100000039644 [0,0,0,0,0,0|4,0,0]=4 896 B11R0.3 C=COCCOCCOCCC 34a_100000033082_100011215938 [0,0,0,0,0,0|4,0,0]=4 897 B11R0.3 C=COCCOCCOCCC 34a_100000039918_100000210303 [0,0,0,0,0,0|4,0,0]=4 898 B11R0.3 C=COCCOCCOCCC 34a_100000752267_100000039644 [0,0,0,0,0,0|4,0,0]=4 899 B11R0.3 C=COCCOCCOCCC 7a_100000039918_100000210303 [0,0,0,0,0,0|4,0,0]=4 900 B11R0.3 C=COCCOCCOCCC 7a_100000752267_100000039644 [0,0,0,0,0,0|4,0,0]=4 901 B11R0.3 C=COCCOCCSCCC 34a_200000230433_100000039644 [0,0,0,0,0,0|4,0,0]=4 902 B11R0.3 C=COCCOCCSCCC 7a_200000230433_100000039644 [0,0,0,0,0,0|4,0,0]=4 903 B11R0.3 C=COCCOCOCCCC 34a_100000033082_100011995733 [0,0,0,0,0,0|4,0,0]=4 904 B11R0.3 C=COCCSCCCCC=O 62a_100000039644_100000139335 [0,0,0,0,0,0|2,0,2]=4 905 B11R0.3 C=COCCSCCCCC=O 62a_100000139335_100000039644 [0,0,0,0,0,0|2,0,2]=4 906 B11R0.3 C=COCCSCCCCCC 62a_100000039644_100000210757 [0,0,0,0,0,0|3,0,0]=3 907 B11R0.3 C=COCCSCCCCCC 62a_100000210314_100000039644 [0,0,0,0,0,0|3,0,0]=3 908 B11R0.3 C=COCCSCCCCCF 62a_100000039644_100000729378 [0,0,0,0,0,0|4,0,0]=4 909 B11R0.3 C=COCCSCCCCCF 62a_100000729378_100000039644 [0,0,0,0,0,0|4,0,0]=4 910 B11R0.3 C=COCCSCCCCCO 62a_100000039644_100000746330 [0,0,0,0,0,0|4,0,0]=4 911 B11R0.3 C=COCCSCCCCCO 62a_100000746330_100000039644 [0,0,0,0,0,0|4,0,0]=4 912 B11R0.3 C=COCCSCCCCOC 62a_100000039644_100000730899 [0,0,0,0,0,0|4,0,0]=4 913 B11R0.3 C=COCCSCCCCOC 62a_100000730899_100000039644 [0,0,0,0,0,0|4,0,0]=4 914 B11R0.3 C=COCCSCCCOCC 62a_100000039644_100012232248 [0,0,0,0,0,0|4,0,0]=4 915 B11R0.3 C=COCCSCCCOCC 62a_100012232248_100000039644 [0,0,0,0,0,0|4,0,0]=4 916 B11R0.3 C=COCCSCCOCCC 62a_100000039644_100011215938 [0,0,0,0,0,0|4,0,0]=4 917 B11R0.3 C=COCCSCCOCCC 62a_100011215938_100000039644 [0,0,0,0,0,0|4,0,0]=4 918 B11R0.3 C=COCCSCOCCCC 62a_100000039644_100011995733 [0,0,0,0,0,0|4,0,0]=4 919 B11R0.3 C=COCCSCOCCCC 62a_100011995733_100000039644 [0,0,0,0,0,0|4,0,0]=4 920 B11R0.3 CC#CCCOCCCCCC 34a_100000750427_100000210314 [0,0,0,0,0,0|2,0,2]=4 921 B11R0.3 CC#CCNCCCCCC=O 2230a_100000685387_100000139337 [0,0,0,0,0,0|1,0,2]=3 922 B11R0.3 CC#CCNCCCCCCC 2230a_100000229938_100000748600 [0,0,0,0,0,0|2,0,2]=4 923 B11R0.3 CC#CCNCCCCCCC 2230a_100000685387_100000210681 [0,0,0,0,0,0|2,0,2]=4 924 B11R0.3 CC#CCNCCCCCCC 34a_100000685387_100000210614 [0,0,0,0,0,0|2,0,2]=4 925 B11R0.3 CC#CCOCCCCCCC 34a_100000210272_100000748600 [0,0,0,0,0,0|2,0,2]=4 926 B11R0.3 CC#CCOCCCCCCC 34a_100000761923_100000210614 [0,0,0,0,0,0|2,0,2]=4 927 B11R0.3 CC#CCOCCCCCCC 7a_100000210272_100000748600 [0,0,0,0,0,0|2,0,2]=4 928 B11R0.3 CC#CCSCCCCCC=O 62a_100000139337_100000748600 [0,0,0,0,0,0|1,0,2]=3 929 B11R0.3 CC#CCSCCCCCC=O 62a_100000748600_100000139337 [0,0,0,0,0,0|1,0,2]=3 930 B11R0.3 CC#CCSCCCCCCC 62a_100000210614_100000748600 [0,0,0,0,0,0|2,0,2]=4 931 B11R0.3 CC#CCSCCCCCCC 62a_100000748600_100000210316 [0,0,0,0,0,0|2,0,2]=4 932 B11R0.3 CC/C=C\CCCCOCC=O 34a_100016287862_200009817547 [0,0,0,0,0,0|1,0,2]=3 933 B11R0.3 CC/C=C\CCCCOCC=O 7a_100016287862_200015260668 [0,0,0,0,0,0|1,0,2]=3 934 B11R0.3 CC/C=C\CCOCCCC=O 7a_100016288707_200011292268 [0,0,0,0,0,0|1,0,2]=3 935 B11R0.3 CC/C=C\CCSCCCC=O 62a_100015370543_200011292268 [0,0,0,0,0,0|1,0,2]=3 936 B11R0.3 CC/C=C\CCSCCCC=O 62a_200011292268_100015370543 [0,0,0,0,0,0|1,0,2]=3 937 B11R0.3 CC/C=C\CSCCCCC=O 62a_100000139335_100103147603 [0,0,0,0,0,0|1,0,2]=3 938 B11R0.3 CC/C=C\CSCCCCC=O 62a_100103147603_100000139335 [0,0,0,0,0,0|1,0,2]=3 939 B11R0.3 CC=C=CCCOCCCCC 34a_100011020354_100000718602 [0,0,0,0,0,0|2,0,2]=4 940 B11R0.3 CC=CCCCOCCCCC 34a_100020645299_100000718602 [0,0,0,0,0,0|2,0,1]=3 941 B11R0.3 CC=CCCCOCCCCF 34a_100020645299_100000729493 [0,0,0,0,0,0|3,0,1]=4 942 B11R0.3 CC=CCCCOCCCCO 34a_100020645299_100011216708 [0,0,0,0,0,0|3,0,1]=4 943 B11R0.3 CC=CCCCOCCCOC 34a_100020645299_100000740836 [0,0,0,0,0,0|3,0,1]=4 944 B11R0.3 CC=CCCCOCCOCC 34a_100020645299_100000210147 [0,0,0,0,0,0|3,0,1]=4 945 B11R0.3 CC=CCCCOCCSCC 34a_100020645299_100000757381 [0,0,0,0,0,0|3,0,1]=4 946 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [0,0,0,0,0,0|2,0,1]=3 947 B11R0.3 CC=CCNCCCCCCO 2230a_100000686447_100000070051 [0,0,0,0,0,0|3,0,1]=4 948 B11R0.3 CC=CCNCCCCCCO 34a_100000686447_100000070051 [0,0,0,0,0,0|3,0,1]=4 949 B11R0.3 CC=CCNCCCCCOC 2230a_100000747528_100000070051 [0,0,0,0,0,0|3,0,1]=4 950 B11R0.3 CC=CCNCCCCCOC 34a_100000747528_100000070051 [0,0,0,0,0,0|3,0,1]=4 951 B11R0.3 CC=CCNCCCOCCC 2230a_100011217757_100000070051 [0,0,0,0,0,0|3,0,1]=4 952 B11R0.3 CC=CCNCCCOCCC 34a_100011217757_100000070051 [0,0,0,0,0,0|3,0,1]=4 953 B11R0.3 CC=CCNCCSCCCC 2230a_100025743550_100000070051 [0,0,0,0,0,0|3,0,1]=4 954 B11R0.3 CC=CCOCCCCCCBr 34a_100011215345_100000070051 [0,0,0,0,0,0|3,0,1]=4 955 B11R0.3 CC=CCOCCCCCCBr 7a_100011215345_100000070051 [0,0,0,0,0,0|3,0,1]=4 956 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [0,0,0,0,0,0|2,0,1]=3 957 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [0,0,0,0,0,0|2,0,1]=3 958 B11R0.3 CC=CCOCCCCCCCl 34a_100000766143_100000070051 [0,0,0,0,0,0|3,0,1]=4 959 B11R0.3 CC=CCOCCCCCCCl 7a_100000766143_100000070051 [0,0,0,0,0,0|3,0,1]=4 960 B11R0.3 CC=CCOCCCCCCF 34a_100000732779_100000070051 [0,0,0,0,0,0|3,0,1]=4 961 B11R0.3 CC=CCOCCCCCCF 7a_100000732779_100000070051 [0,0,0,0,0,0|3,0,1]=4 962 B11R0.3 CC=CCOCCCCCCN 34a_100000686447_100000070051 [0,0,0,0,0,0|3,0,1]=4 963 B11R0.3 CC=CCOCCCCCNC 34a_100000722520_100000070051 [0,0,0,0,0,0|3,0,1]=4 964 B11R0.3 CC=CCOCCOCCCC 34a_100000210238_100000070051 [0,0,0,0,0,0|3,0,1]=4 965 B11R0.3 CC=CCOCCOCCCC 7a_100000210238_100000070051 [0,0,0,0,0,0|3,0,1]=4 966 B11R0.3 CC=CCOCCSCCCC 34a_200000230436_100000070051 [0,0,0,0,0,0|3,0,1]=4 967 B11R0.3 CC=CCOCCSCCCC 7a_200000230436_100000070051 [0,0,0,0,0,0|3,0,1]=4 968 B11R0.3 CC=CCSCCCCCC=O 62a_100000070051_100000139337 [0,0,0,0,0,0|1,0,2]=3 969 B11R0.3 CC=CCSCCCCCC=O 62a_100000139337_100000070051 [0,0,0,0,0,0|1,0,2]=3 970 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [0,0,0,0,0,0|2,0,1]=3 971 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [0,0,0,0,0,0|2,0,1]=3 972 B11R0.3 CC=CCSCCCCCCF 62a_100000070051_100015922095 [0,0,0,0,0,0|3,0,1]=4 973 B11R0.3 CC=CCSCCCCCCF 62a_100015922095_100000070051 [0,0,0,0,0,0|3,0,1]=4 974 B11R0.3 CC=CCSCCCCCCO 62a_100000070051_100000766143 [0,0,0,0,0,0|3,0,1]=4 975 B11R0.3 CC=CCSCCCCCCO 62a_100000766143_100000070051 [0,0,0,0,0,0|3,0,1]=4 976 B11R0.3 CC=CCSCCOCCCC 62a_100000070051_100000743108 [0,0,0,0,0,0|3,0,1]=4 977 B11R0.3 CC=CCSCCOCCCC 62a_100000743108_100000070051 [0,0,0,0,0,0|3,0,1]=4 978 B11R0.3 CCC#CCCCCCCNC 2230a_106832991635_200000036426 [0,0,0,0,0,0|2,0,2]=4 979 B11R0.3 CCC#CCCCCCCNC 34a_100102657272_200000036426 [0,0,0,0,0,0|2,0,2]=4 980 B11R0.3 CCC#CCCCCCCNC 7a_106832991635_200000036426 [0,0,0,0,0,0|2,0,2]=4 981 B11R0.3 CCC#CCCCCCCOC 34a_100138415774_200000036426 [0,0,0,0,0,0|2,0,2]=4 982 B11R0.3 CCC#CCCCCCCSC 62a_200000036426_200000210301 [0,0,0,0,0,0|2,0,2]=4 983 B11R0.3 CCC#CCCCCCCSC 62a_200000210301_200000036426 [0,0,0,0,0,0|2,0,2]=4 984 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200000036426_200025704644 [0,0,0,0,0,0|2,0,2]=4 985 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200025704644_200000036426 [0,0,0,0,0,0|2,0,2]=4 986 B11R0.3 CCC#CCCOCCCC=O 7a_100000036655_200011292268 [0,0,0,0,0,0|1,0,2]=3 987 B11R0.3 CCC#CCSCCCCC=O 62a_100000139335_100009813939 [0,0,0,0,0,0|1,0,2]=3 988 B11R0.3 CCC#CCSCCCCC=O 62a_100009813939_100000139335 [0,0,0,0,0,0|1,0,2]=3 989 B11R0.3 CCC/C=C/COCCCC=O 7a_100016278788_200011292268 [0,0,0,0,0,0|1,0,2]=3 990 B11R0.3 CCCC#CCOCCCC=O 7a_100000034806_200011292268 [0,0,0,0,0,0|1,0,2]=3 991 B11R0.3 CCCC/C=C/CCCCOC 34a_200020645093_200000210301 [0,0,0,0,0,0|2,0,2]=4 992 B11R0.3 CCCC/C=C/CCCCOC 7a_200020645093_200000210301 [0,0,0,0,0,0|2,0,2]=4 993 B11R0.3 CCCC/C=C/CCCCO[13CH3] 34a_200020645093_200025704644 [0,0,0,0,0,0|2,0,2]=4 994 B11R0.3 CCCC/C=C/CCCCO[13CH3] 7a_200020645093_200025704644 [0,0,0,0,0,0|2,0,2]=4 995 B11R0.3 CCCC/C=C\CCOCC=O 34a_200016286491_200009817547 [0,0,0,0,0,0|1,0,2]=3 996 B11R0.3 CCCC/C=C\CCOCC=O 7a_200016286491_200015260668 [0,0,0,0,0,0|1,0,2]=3 997 B11R0.3 CCCCC#CCCCCOC 34a_200000066234_200000210301 [0,0,0,0,0,0|2,0,2]=4 998 B11R0.3 CCCCC#CCCCCOC 7a_200000066234_200000210301 [0,0,0,0,0,0|2,0,2]=4 999 B11R0.3 CCCCC#CCCCCO[13CH3] 34a_200000066234_200025704644 [0,0,0,0,0,0|2,0,2]=4 1000 B11R0.3 CCCCC#CCCCCO[13CH3] 7a_200000066234_200025704644 [0,0,0,0,0,0|2,0,2]=4 1001 B11R0.3 CCCCC#CCCOCC=O 34a_100000037610_200009817547 [0,0,0,0,0,0|1,0,2]=3 1002 B11R0.3 CCCCC#CCCOCC=O 7a_100000037610_200015260668 [0,0,0,0,0,0|1,0,2]=3 1003 B11R0.3 CCCCC/C=C/COCC=O 34a_100016258190_200009817547 [0,0,0,0,0,0|1,0,2]=3 1004 B11R0.3 CCCCC/C=C/COCC=O 7a_100016258190_200015260668 [0,0,0,0,0,0|1,0,2]=3 1005 B11R0.3 CCCCC/C=C\CCCOC 34a_100020655193_200000210301 [0,0,0,0,0,0|2,0,2]=4 1006 B11R0.3 CCCCC/C=C\CCCOC 7a_100020655193_200000210301 [0,0,0,0,0,0|2,0,2]=4 1007 B11R0.3 CCCCC/C=C\CCCO[13CH3] 34a_100020655193_200025704644 [0,0,0,0,0,0|2,0,2]=4 1008 B11R0.3 CCCCC/C=C\CCCO[13CH3] 7a_100020655193_200025704644 [0,0,0,0,0,0|2,0,2]=4 1009 B11R0.3 CCCCCC#CCOCC=O 34a_200000033628_200009817547 [0,0,0,0,0,0|1,0,2]=3 1010 B11R0.3 CCCCCC#CCOCC=O 7a_200000033628_200015260668 [0,0,0,0,0,0|1,0,2]=3 1011 B11R0.3 CCCCCC#CCSCC=O 62a_100009816472_200015260668 [0,0,0,0,0,0|1,0,2]=3 1012 B11R0.3 CCCCCC#CCSCC=O 62a_200015260668_100009816472 [0,0,0,0,0,0|1,0,2]=3 1013 B11R0.3 CCCCCCC#CCCOC 34a_200000033163_200000210301 [0,0,0,0,0,0|2,0,2]=4 1014 B11R0.3 CCCCCCC#CCCOC 7a_200000033163_200000210301 [0,0,0,0,0,0|2,0,2]=4 1015 B11R0.3 CCCCCCC#CCCO[13CH3] 34a_200000033163_200025704644 [0,0,0,0,0,0|2,0,2]=4 1016 B11R0.3 CCCCCCC#CCCO[13CH3] 7a_200000033163_200025704644 [0,0,0,0,0,0|2,0,2]=4 1017 B11R0.3 CCCCCCCC#CCOC 34a_200000061759_200000210301 [0,0,0,0,0,0|2,0,2]=4 1018 B11R0.3 CCCCCCCC#CCOC 7a_200000061759_200000210301 [0,0,0,0,0,0|2,0,2]=4 1019 B11R0.3 CCCCCCCC#CCO[13CH3] 34a_200000061759_200025704644 [0,0,0,0,0,0|2,0,2]=4 1020 B11R0.3 CCCCCCCC#CCO[13CH3] 7a_200000061759_200025704644 [0,0,0,0,0,0|2,0,2]=4 1021 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [0,0,0,0,0,0|2,0,0]=2 1022 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [0,0,0,0,0,0|2,0,0]=2 1023 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [0,0,0,0,0,0|2,0,0]=2 1024 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [0,0,0,0,0,0|2,0,0]=2 1025 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [0,0,0,0,0,0|2,0,0]=2 1026 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [0,0,0,0,0,0|2,0,0]=2 1027 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [0,0,0,0,0,0|2,0,0]=2 1028 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [0,0,0,0,0,0|2,0,0]=2 1029 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [0,0,0,0,0,0|2,0,0]=2 1030 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [0,0,0,0,0,0|2,0,0]=2 1031 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [0,0,0,0,0,0|2,0,0]=2 1032 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [0,0,0,0,0,0|2,0,0]=2 1033 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [0,0,0,0,0,0|2,0,0]=2 1034 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [0,0,0,0,0,0|2,0,0]=2 1035 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [0,0,0,0,0,0|2,0,1]=3 1036 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [0,0,0,0,0,0|2,0,1]=3 1037 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [0,0,0,0,0,0|2,0,1]=3 1038 B11R0.3 CCCCCCCCCNCF 34a_100000212291_100015361967 [0,0,0,0,0,0|2,0,1]=3 1039 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [0,0,0,0,0,0|2,0,1]=3 1040 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [0,0,0,0,0,0|2,0,1]=3 1041 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [0,0,0,0,0,0|2,0,1]=3 1042 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [0,0,0,0,0,0|2,0,1]=3 1043 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [0,0,0,0,0,0|2,0,1]=3 1044 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [0,0,0,0,0,0|2,0,1]=3 1045 B11R0.3 CCCCCCCCCSCF 62a_100015361967_100000210670 [0,0,0,0,0,0|2,0,1]=3 1046 B11R0.3 CCCCCCCCNCC#N 2230a_100000229939_100011215382 [0,0,0,0,0,0|2,0,1]=3 1047 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [0,0,0,0,0,0|1,0,0]=1 1048 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [0,0,0,0,0,0|1,0,0]=1 1049 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [0,0,0,0,0,0|2,0,1]=3 1050 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [0,0,0,0,0,0|2,0,1]=3 1051 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [0,0,0,0,0,0|2,0,1]=3 1052 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [0,0,0,0,0,0|2,0,1]=3 1053 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [0,0,0,0,0,0|2,0,1]=3 1054 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [0,0,0,0,0,0|1,0,2]=3 1055 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [0,0,0,0,0,0|1,0,2]=3 1056 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [0,0,0,0,0,0|1,0,2]=3 1057 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [0,0,0,0,0,0|1,0,2]=3 1058 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [0,0,0,0,0,0|3,0,0]=3 1059 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [0,0,0,0,0,0|3,0,0]=3 1060 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [0,0,0,0,0,0|3,0,0]=3 1061 B11R0.3 CCCCCCCCOCC#N 7a_100000210232_100011215382 [0,0,0,0,0,0|2,0,1]=3 1062 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [0,0,0,0,0,0|1,0,0]=1 1063 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [0,0,0,0,0,0|1,0,0]=1 1064 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [0,0,0,0,0,0|2,0,1]=3 1065 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [0,0,0,0,0,0|2,0,1]=3 1066 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [0,0,0,0,0,0|2,0,1]=3 1067 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [0,0,0,0,0,0|2,0,1]=3 1068 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [0,0,0,0,0,0|2,0,1]=3 1069 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [0,0,0,0,0,0|2,0,1]=3 1070 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [0,0,0,0,0,0|2,0,1]=3 1071 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [0,0,0,0,0,0|1,0,2]=3 1072 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [0,0,0,0,0,0|1,0,2]=3 1073 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [0,0,0,0,0,0|3,0,0]=3 1074 B11R0.3 CCCCCCCCSCC#N 62a_100000210759_100011215382 [0,0,0,0,0,0|2,0,1]=3 1075 B11R0.3 CCCCCCCCSCC#N 62a_100011215382_100000210317 [0,0,0,0,0,0|2,0,1]=3 1076 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [0,0,0,0,0,0|1,0,0]=1 1077 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [0,0,0,0,0,0|1,0,0]=1 1078 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [0,0,0,0,0,0|2,0,1]=3 1079 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [0,0,0,0,0,0|2,0,1]=3 1080 B11R0.3 CCCCCCCCSCCF 62a_100000210759_100011217306 [0,0,0,0,0,0|2,0,1]=3 1081 B11R0.3 CCCCCCCCSCCF 62a_100011217306_100000210317 [0,0,0,0,0,0|2,0,1]=3 1082 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [0,0,0,0,0,0|1,0,2]=3 1083 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [0,0,0,0,0,0|1,0,2]=3 1084 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [0,0,0,0,0,0|3,0,0]=3 1085 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [0,0,0,0,0,0|3,0,0]=3 1086 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [0,0,0,0,0,0|3,0,0]=3 1087 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [0,0,0,0,0,0|3,0,0]=3 1088 B11R0.3 CCCCCCCNCCC#N 2230a_100000229938_100011215226 [0,0,0,0,0,0|2,0,1]=3 1089 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [0,0,0,0,0,0|2,0,1]=3 1090 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [0,0,0,0,0,0|2,0,1]=3 1091 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [0,0,0,0,0,0|2,0,1]=3 1092 B11R0.3 CCCCCCCNCCCF 2230a_100000229938_100011934791 [0,0,0,0,0,0|2,0,1]=3 1093 B11R0.3 CCCCCCCNCCCF 2230a_100015189416_100000210681 [0,0,0,0,0,0|2,0,1]=3 1094 B11R0.3 CCCCCCCNCCCF 34a_100015189416_100000210614 [0,0,0,0,0,0|2,0,1]=3 1095 B11R0.3 CCCCCCCNCCCO 2230a_100000229938_100000230001 [0,0,0,0,0,0|1,0,2]=3 1096 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [0,0,0,0,0,0|3,0,0]=3 1097 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [0,0,0,0,0,0|3,0,0]=3 1098 B11R0.3 CCCCCCCNCCSC 2230a_100000229938_100000751147 [0,0,0,0,0,0|3,0,0]=3 1099 B11R0.3 CCCCCCCNCCSC 2230a_100020590264_100000210681 [0,0,0,0,0,0|3,0,0]=3 1100 B11R0.3 CCCCCCCOCCC#N 7a_100000210272_100000184422 [0,0,0,0,0,0|2,0,1]=3 1101 B11R0.3 CCCCCCCOCCCBr 34a_100011217188_100000210614 [0,0,0,0,0,0|2,0,1]=3 1102 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [0,0,0,0,0,0|2,0,1]=3 1103 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [0,0,0,0,0,0|2,0,1]=3 1104 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [0,0,0,0,0,0|2,0,1]=3 1105 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [0,0,0,0,0,0|2,0,1]=3 1106 B11R0.3 CCCCCCCOCCCCl 34a_100000230001_100000210614 [0,0,0,0,0,0|2,0,1]=3 1107 B11R0.3 CCCCCCCOCCCF 34a_100000210272_100011934791 [0,0,0,0,0,0|2,0,1]=3 1108 B11R0.3 CCCCCCCOCCCF 34a_100000759539_100000210614 [0,0,0,0,0,0|2,0,1]=3 1109 B11R0.3 CCCCCCCOCCCF 7a_100000210272_100011934791 [0,0,0,0,0,0|2,0,1]=3 1110 B11R0.3 CCCCCCCOCCCN 34a_100000182051_100000210614 [0,0,0,0,0,0|2,0,1]=3 1111 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [0,0,0,0,0,0|1,0,2]=3 1112 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [0,0,0,0,0,0|1,0,2]=3 1113 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [0,0,0,0,0,0|3,0,0]=3 1114 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [0,0,0,0,0,0|3,0,0]=3 1115 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [0,0,0,0,0,0|3,0,0]=3 1116 B11R0.3 CCCCCCCOCCON 34a_100000700252_100000210614 [0,0,0,0,0,0|3,0,0]=3 1117 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [0,0,0,0,0,0|3,0,0]=3 1118 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [0,0,0,0,0,0|3,0,0]=3 1119 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [0,0,0,0,0,0|3,0,0]=3 1120 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [0,0,0,0,0,0|3,0,0]=3 1121 B11R0.3 CCCCCCCSCCC#N 62a_100000210614_100011215226 [0,0,0,0,0,0|2,0,1]=3 1122 B11R0.3 CCCCCCCSCCC#N 62a_100011215226_100000210316 [0,0,0,0,0,0|2,0,1]=3 1123 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [0,0,0,0,0,0|2,0,1]=3 1124 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [0,0,0,0,0,0|2,0,1]=3 1125 B11R0.3 CCCCCCCSCCCF 62a_100000210614_100011934791 [0,0,0,0,0,0|2,0,1]=3 1126 B11R0.3 CCCCCCCSCCCF 62a_100011934791_100000210316 [0,0,0,0,0,0|2,0,1]=3 1127 B11R0.3 CCCCCCCSCCCO 62a_100000210614_100011215043 [0,0,0,0,0,0|1,0,2]=3 1128 B11R0.3 CCCCCCCSCCCO 62a_100011215043_100000210316 [0,0,0,0,0,0|1,0,2]=3 1129 B11R0.3 CCCCCCCSCCOC 62a_100000210614_100000233755 [0,0,0,0,0,0|3,0,0]=3 1130 B11R0.3 CCCCCCCSCCOC 62a_100000233755_100000210316 [0,0,0,0,0,0|3,0,0]=3 1131 B11R0.3 CCCCCCCSCCSC 62a_100000210614_100000751147 [0,0,0,0,0,0|3,0,0]=3 1132 B11R0.3 CCCCCCCSCCSC 62a_100000212216_100000210316 [0,0,0,0,0,0|3,0,0]=3 1133 B11R0.3 CCCCCCCSCOCC 62a_100000210614_100000739092 [0,0,0,0,0,0|3,0,1]=4 1134 B11R0.3 CCCCCCCSCOCC 62a_100000739092_100000210316 [0,0,0,0,0,0|3,0,1]=4 1135 B11R0.3 CCCCCCCSCSC#N 62a_100000210614_100000211825 [0,0,0,0,0,0|3,0,1]=4 1136 B11R0.3 CCCCCCCSCSC#N 62a_100000211825_100000210316 [0,0,0,0,0,0|3,0,1]=4 1137 B11R0.3 CCCCCCNCCCC#N 2230a_100000210581_100000687738 [0,0,0,0,0,0|2,0,1]=3 1138 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [0,0,0,0,0,0|1,0,0]=1 1139 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [0,0,0,0,0,0|2,0,1]=3 1140 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [0,0,0,0,0,0|2,0,1]=3 1141 B11R0.3 CCCCCCNCCCCF 2230a_100000210581_100000729493 [0,0,0,0,0,0|2,0,1]=3 1142 B11R0.3 CCCCCCNCCCCO 2230a_100000210581_100000210776 [0,0,0,0,0,0|1,0,2]=3 1143 B11R0.3 CCCCCCNCCCCO 2230a_100000750430_100000210314 [0,0,0,0,0,0|1,0,2]=3 1144 B11R0.3 CCCCCCNCCCCO 34a_100000750430_100000210314 [0,0,0,0,0,0|1,0,2]=3 1145 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [0,0,0,0,0,0|3,0,0]=3 1146 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [0,0,0,0,0,0|3,0,0]=3 1147 B11R0.3 CCCCCCNCCCSC 2230a_100000749238_100000210314 [0,0,0,0,0,0|3,0,0]=3 1148 B11R0.3 CCCCCCNCCOCC 2230a_100000210581_100011215890 [0,0,0,0,0,0|3,0,1]=4 1149 B11R0.3 CCCCCCNCCOCC 2230a_102516460346_100000210314 [0,0,0,0,0,0|3,0,1]=4 1150 B11R0.3 CCCCCCNCCOCC 34a_102516460346_100000210314 [0,0,0,0,0,0|3,0,1]=4 1151 B11R0.3 CCCCCCNCCSCC 2230a_100000106463_100000210314 [0,0,0,0,0,0|3,0,1]=4 1152 B11R0.3 CCCCCCNCCSCC 2230a_100000210581_100000757381 [0,0,0,0,0,0|3,0,1]=4 1153 B11R0.3 CCCCCCOCCCC#N 7a_100000210259_100000687738 [0,0,0,0,0,0|2,0,1]=3 1154 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [0,0,0,0,0,0|1,0,0]=1 1155 B11R0.3 CCCCCCOCCCCBr 34a_100011216708_100000210314 [0,0,0,0,0,0|2,0,1]=3 1156 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [0,0,0,0,0,0|2,0,1]=3 1157 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [0,0,0,0,0,0|2,0,1]=3 1158 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [0,0,0,0,0,0|2,0,1]=3 1159 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [0,0,0,0,0,0|2,0,1]=3 1160 B11R0.3 CCCCCCOCCCCCl 34a_100000210776_100000210314 [0,0,0,0,0,0|2,0,1]=3 1161 B11R0.3 CCCCCCOCCCCCl 7a_100000210776_100000210314 [0,0,0,0,0,0|2,0,1]=3 1162 B11R0.3 CCCCCCOCCCCF 34a_100000210259_100000729493 [0,0,0,0,0,0|2,0,1]=3 1163 B11R0.3 CCCCCCOCCCCF 34a_100011995726_100000210314 [0,0,0,0,0,0|2,0,1]=3 1164 B11R0.3 CCCCCCOCCCCF 7a_100000210259_100000729493 [0,0,0,0,0,0|2,0,1]=3 1165 B11R0.3 CCCCCCOCCCCF 7a_100011995726_100000210314 [0,0,0,0,0,0|2,0,1]=3 1166 B11R0.3 CCCCCCOCCCCI 34a_200012148704_100000210314 [0,0,0,0,0,0|2,0,1]=3 1167 B11R0.3 CCCCCCOCCCCN 34a_100000750430_100000210314 [0,0,0,0,0,0|2,0,1]=3 1168 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [0,0,0,0,0,0|1,0,2]=3 1169 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [0,0,0,0,0,0|1,0,2]=3 1170 B11R0.3 CCCCCCOCCCNC 34a_100000213112_100000210314 [0,0,0,0,0,0|3,0,0]=3 1171 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [0,0,0,0,0,0|3,0,0]=3 1172 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [0,0,0,0,0,0|3,0,0]=3 1173 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [0,0,0,0,0,0|3,0,0]=3 1174 B11R0.3 CCCCCCOCCCSC 34a_100000690336_100000210314 [0,0,0,0,0,0|3,0,0]=3 1175 B11R0.3 CCCCCCOCCCSC 7a_100000690336_100000210314 [0,0,0,0,0,0|3,0,0]=3 1176 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [0,0,0,0,0,0|3,0,1]=4 1177 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [0,0,0,0,0,0|3,0,1]=4 1178 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [0,0,0,0,0,0|3,0,1]=4 1179 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [0,0,0,0,0,0|3,0,1]=4 1180 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [0,0,0,0,0,0|3,0,1]=4 1181 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [0,0,0,0,0,0|3,0,1]=4 1182 B11R0.3 CCCCCCOCCOCF 34a_100000691444_100015361967 [0,0,0,0,0,0|3,0,1]=4 1183 B11R0.3 CCCCCCOCCOCF 7a_100000691444_100015361967 [0,0,0,0,0,0|3,0,1]=4 1184 B11R0.3 CCCCCCOCCSCC 34a_100000210259_100000757381 [0,0,0,0,0,0|3,0,1]=4 1185 B11R0.3 CCCCCCOCCSCC 34a_100000212035_100000210314 [0,0,0,0,0,0|3,0,1]=4 1186 B11R0.3 CCCCCCOCCSCC 7a_100000210259_100000757381 [0,0,0,0,0,0|3,0,1]=4 1187 B11R0.3 CCCCCCOCCSCC 7a_100000212035_100000210314 [0,0,0,0,0,0|3,0,1]=4 1188 B11R0.3 CCCCCCSCCCC#N 62a_100000210314_100000687738 [0,0,0,0,0,0|2,0,1]=3 1189 B11R0.3 CCCCCCSCCCC#N 62a_100000687738_100000210757 [0,0,0,0,0,0|2,0,1]=3 1190 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [0,0,0,0,0,0|1,0,0]=1 1191 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [0,0,0,0,0,0|1,0,0]=1 1192 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [0,0,0,0,0,0|2,0,1]=3 1193 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [0,0,0,0,0,0|2,0,1]=3 1194 B11R0.3 CCCCCCSCCCCF 62a_100000210314_100000729493 [0,0,0,0,0,0|2,0,1]=3 1195 B11R0.3 CCCCCCSCCCCF 62a_100000729493_100000210757 [0,0,0,0,0,0|2,0,1]=3 1196 B11R0.3 CCCCCCSCCCCO 62a_100000210314_100000210776 [0,0,0,0,0,0|1,0,2]=3 1197 B11R0.3 CCCCCCSCCCCO 62a_100000210776_100000210757 [0,0,0,0,0,0|1,0,2]=3 1198 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [0,0,0,0,0,0|3,0,0]=3 1199 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [0,0,0,0,0,0|3,0,0]=3 1200 B11R0.3 CCCCCCSCCOCC 62a_100000210147_100000210757 [0,0,0,0,0,0|3,0,1]=4 1201 B11R0.3 CCCCCCSCCOCC 62a_100000210314_100011215890 [0,0,0,0,0,0|3,0,1]=4 1202 B11R0.3 CCCCCCSCCSC#N 62a_100000034367_100000210757 [0,0,0,0,0,0|3,0,1]=4 1203 B11R0.3 CCCCCCSCCSC#N 62a_100000210314_100000034367 [0,0,0,0,0,0|3,0,1]=4 1204 B11R0.3 CCCCCCSCCSCC 62a_100000210314_100000757381 [0,0,0,0,0,0|3,0,1]=4 1205 B11R0.3 CCCCCCSCCSCC 62a_100000757381_100000210757 [0,0,0,0,0,0|3,0,1]=4 1206 B11R0.3 CCCCCNCCCCC#N 2230a_100000209983_100000211819 [0,0,0,0,0,0|2,0,1]=3 1207 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [0,0,0,0,0,0|1,0,0]=1 1208 B11R0.3 CCCCCNCCCCCF 2230a_100000209983_100000729378 [0,0,0,0,0,0|2,0,1]=3 1209 B11R0.3 CCCCCNCCCCCO 2230a_100000209983_100000746330 [0,0,0,0,0,0|1,0,2]=3 1210 B11R0.3 CCCCCNCCCCCO 2230a_100000762737_100000210326 [0,0,0,0,0,0|1,0,2]=3 1211 B11R0.3 CCCCCNCCCCCO 34a_100000762737_100000718602 [0,0,0,0,0,0|1,0,2]=3 1212 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [0,0,0,0,0,0|3,0,0]=3 1213 B11R0.3 CCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210326 [0,0,0,0,0,0|4,0,0]=4 1214 B11R0.3 CCCCCNCCCOCC 2230a_100000209983_100012232248 [0,0,0,0,0,0|3,0,1]=4 1215 B11R0.3 CCCCCNCCCOCC 2230a_100000210961_100000210326 [0,0,0,0,0,0|3,0,1]=4 1216 B11R0.3 CCCCCNCCCOCC 34a_100000210961_100000718602 [0,0,0,0,0,0|3,0,1]=4 1217 B11R0.3 CCCCCNCCOCC#N 2230a_100000209983_200000047693 [0,0,0,0,0,0|3,0,1]=4 1218 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [0,0,0,0,0,0|2,0,0]=2 1219 B11R0.3 CCCCCNCCOCCC 2230a_100000209983_100011215938 [0,0,0,0,0,0|3,0,1]=4 1220 B11R0.3 CCCCCNCCOCCC 2230a_100161115042_100000210326 [0,0,0,0,0,0|3,0,1]=4 1221 B11R0.3 CCCCCNCCOCCC 34a_100000224656_100000210303 [0,0,0,0,0,0|3,0,1]=4 1222 B11R0.3 CCCCCNCCOCCC 34a_100161115042_100000718602 [0,0,0,0,0,0|3,0,1]=4 1223 B11R0.3 CCCCCNCCOCCF 34a_100000224656_100011217306 [0,0,0,0,0,0|3,0,1]=4 1224 B11R0.3 CCCCCNCCOCCO 2230a_100000209983_100011215305 [0,0,0,0,0,0|2,0,2]=4 1225 B11R0.3 CCCCCNCCOCCO 2230a_100000211614_100000210326 [0,0,0,0,0,0|2,0,2]=4 1226 B11R0.3 CCCCCNCCOCCO 34a_100000211614_100000718602 [0,0,0,0,0,0|2,0,2]=4 1227 B11R0.3 CCCCCNCCOCCO 34a_100000224656_100000211926 [0,0,0,0,0,0|2,0,2]=4 1228 B11R0.3 CCCCCNCCOCSC 34a_100000224656_100011218213 [0,0,0,0,0,0|4,0,0]=4 1229 B11R0.3 CCCCCNCCSCCC 2230a_100020603323_100000210326 [0,0,0,0,0,0|3,0,1]=4 1230 B11R0.3 CCCCCNCCSCCO 2230a_100011219999_100000210326 [0,0,0,0,0,0|2,0,2]=4 1231 B11R0.3 CCCCCNCOCCCC 2230a_100000209983_100011995733 [0,0,0,0,0,0|3,0,1]=4 1232 B11R0.3 CCCCCNCOCCOC 2230a_100000209983_100000231047 [0,0,0,0,0,0|4,0,0]=4 1233 B11R0.3 CCCCCOCCCCC#N 7a_100000210253_100000211819 [0,0,0,0,0,0|2,0,1]=3 1234 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [0,0,0,0,0,0|1,0,0]=1 1235 B11R0.3 CCCCCOCCCCCBr 34a_100000746331_100000718602 [0,0,0,0,0,0|2,0,1]=3 1236 B11R0.3 CCCCCOCCCCCBr 7a_100000746331_100000210326 [0,0,0,0,0,0|2,0,1]=3 1237 B11R0.3 CCCCCOCCCCCCl 34a_100000746330_100000718602 [0,0,0,0,0,0|2,0,1]=3 1238 B11R0.3 CCCCCOCCCCCCl 7a_100000746330_100000210326 [0,0,0,0,0,0|2,0,1]=3 1239 B11R0.3 CCCCCOCCCCCF 34a_100000210253_100000729378 [0,0,0,0,0,0|2,0,1]=3 1240 B11R0.3 CCCCCOCCCCCF 7a_100000210253_100000729378 [0,0,0,0,0,0|2,0,1]=3 1241 B11R0.3 CCCCCOCCCCCI 34a_200012148887_100000718602 [0,0,0,0,0,0|2,0,1]=3 1242 B11R0.3 CCCCCOCCCCCI 7a_200012148887_100000210326 [0,0,0,0,0,0|2,0,1]=3 1243 B11R0.3 CCCCCOCCCCCN 34a_100000762737_100000718602 [0,0,0,0,0,0|2,0,1]=3 1244 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [0,0,0,0,0,0|1,0,2]=3 1245 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [0,0,0,0,0,0|1,0,2]=3 1246 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [0,0,0,0,0,0|3,0,0]=3 1247 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [0,0,0,0,0,0|3,0,0]=3 1248 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [0,0,0,0,0,0|3,0,0]=3 1249 B11R0.3 CCCCCOCCCCSC 34a_100011217163_100000718602 [0,0,0,0,0,0|3,0,0]=3 1250 B11R0.3 CCCCCOCCCCSC 7a_100011217163_100000210326 [0,0,0,0,0,0|3,0,0]=3 1251 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [0,0,0,0,0,0|3,0,1]=4 1252 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [0,0,0,0,0,0|3,0,1]=4 1253 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [0,0,0,0,0,0|3,0,1]=4 1254 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [0,0,0,0,0,0|3,0,1]=4 1255 B11R0.3 CCCCCOCCCSCC 34a_100011216438_100000718602 [0,0,0,0,0,0|3,0,1]=4 1256 B11R0.3 CCCCCOCCCSCC 7a_100011216438_100000210326 [0,0,0,0,0,0|3,0,1]=4 1257 B11R0.3 CCCCCOCCOCC#N 7a_100000210253_200000047693 [0,0,0,0,0,0|3,0,1]=4 1258 B11R0.3 CCCCCOCCOCC#N 7a_100011215259_100011215382 [0,0,0,0,0,0|3,0,1]=4 1259 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [0,0,0,0,0,0|2,0,0]=2 1260 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [0,0,0,0,0,0|2,0,0]=2 1261 B11R0.3 CCCCCOCCOCCBr 34a_100000692535_100000718602 [0,0,0,0,0,0|3,0,1]=4 1262 B11R0.3 CCCCCOCCOCCBr 7a_100000692535_100000210326 [0,0,0,0,0,0|3,0,1]=4 1263 B11R0.3 CCCCCOCCOCCC 34a_100000210253_100011215938 [0,0,0,0,0,0|3,0,1]=4 1264 B11R0.3 CCCCCOCCOCCC 34a_100000752267_100000718602 [0,0,0,0,0,0|3,0,1]=4 1265 B11R0.3 CCCCCOCCOCCC 34a_100011215259_100000210303 [0,0,0,0,0,0|3,0,1]=4 1266 B11R0.3 CCCCCOCCOCCC 7a_100000210253_100011215938 [0,0,0,0,0,0|3,0,1]=4 1267 B11R0.3 CCCCCOCCOCCC 7a_100000752267_100000210326 [0,0,0,0,0,0|3,0,1]=4 1268 B11R0.3 CCCCCOCCOCCC 7a_100011215259_100000210303 [0,0,0,0,0,0|3,0,1]=4 1269 B11R0.3 CCCCCOCCOCCCl 34a_100011215305_100000718602 [0,0,0,0,0,0|3,0,1]=4 1270 B11R0.3 CCCCCOCCOCCCl 7a_100011215305_100000210326 [0,0,0,0,0,0|3,0,1]=4 1271 B11R0.3 CCCCCOCCOCCF 34a_100011215259_100011217306 [0,0,0,0,0,0|3,0,1]=4 1272 B11R0.3 CCCCCOCCOCCF 34a_200015357709_100000718602 [0,0,0,0,0,0|3,0,1]=4 1273 B11R0.3 CCCCCOCCOCCF 7a_100011215259_100011217306 [0,0,0,0,0,0|3,0,1]=4 1274 B11R0.3 CCCCCOCCOCCF 7a_200015357709_100000210326 [0,0,0,0,0,0|3,0,1]=4 1275 B11R0.3 CCCCCOCCOCCI 34a_100012149058_100000718602 [0,0,0,0,0,0|3,0,1]=4 1276 B11R0.3 CCCCCOCCOCCI 7a_100012149058_100000210326 [0,0,0,0,0,0|3,0,1]=4 1277 B11R0.3 CCCCCOCCOCCN 34a_100000211614_100000718602 [0,0,0,0,0,0|3,0,1]=4 1278 B11R0.3 CCCCCOCCOCCO 34a_100000210253_100000692535 [0,0,0,0,0,0|2,0,2]=4 1279 B11R0.3 CCCCCOCCOCCO 34a_100011215259_100000211926 [0,0,0,0,0,0|2,0,2]=4 1280 B11R0.3 CCCCCOCCOCCO 7a_100000210253_100011215305 [0,0,0,0,0,0|2,0,2]=4 1281 B11R0.3 CCCCCOCCOCCO 7a_100011215259_100000211926 [0,0,0,0,0,0|2,0,2]=4 1282 B11R0.3 CCCCCOCCOCSC 34a_100011215259_100011218213 [0,0,0,0,0,0|4,0,0]=4 1283 B11R0.3 CCCCCOCCSCCC 34a_200000230433_100000718602 [0,0,0,0,0,0|3,0,1]=4 1284 B11R0.3 CCCCCOCCSCCC 7a_200000230433_100000210326 [0,0,0,0,0,0|3,0,1]=4 1285 B11R0.3 CCCCCOCOCCCC 34a_100000210253_100011995733 [0,0,0,0,0,0|3,0,1]=4 1286 B11R0.3 CCCCCSCCCCC#N 62a_100000210326_100000211819 [0,0,0,0,0,0|2,0,1]=3 1287 B11R0.3 CCCCCSCCCCC#N 62a_100011219923_100000210326 [0,0,0,0,0,0|2,0,1]=3 1288 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [0,0,0,0,0,0|1,0,0]=1 1289 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [0,0,0,0,0,0|1,0,0]=1 1290 B11R0.3 CCCCCSCCCCCF 62a_100000210326_100000729378 [0,0,0,0,0,0|2,0,1]=3 1291 B11R0.3 CCCCCSCCCCCF 62a_100000729378_100000210326 [0,0,0,0,0,0|2,0,1]=3 1292 B11R0.3 CCCCCSCCCCCO 62a_100000210326_100000746330 [0,0,0,0,0,0|1,0,2]=3 1293 B11R0.3 CCCCCSCCCCCO 62a_100000746330_100000210326 [0,0,0,0,0,0|1,0,2]=3 1294 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [0,0,0,0,0,0|3,0,0]=3 1295 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [0,0,0,0,0,0|3,0,0]=3 1296 B11R0.3 CCCCCSCCCOCC 62a_100000210326_100012232248 [0,0,0,0,0,0|3,0,1]=4 1297 B11R0.3 CCCCCSCCCOCC 62a_100012232248_100000210326 [0,0,0,0,0,0|3,0,1]=4 1298 B11R0.3 CCCCCSCCOCC#N 62a_100000210326_200000047693 [0,0,0,0,0,0|3,0,1]=4 1299 B11R0.3 CCCCCSCCOCC#N 62a_200000047693_100000210326 [0,0,0,0,0,0|3,0,1]=4 1300 B11R0.3 CCCCCSCCOCCC 62a_100000210326_100011215938 [0,0,0,0,0,0|3,0,1]=4 1301 B11R0.3 CCCCCSCCOCCC 62a_100011215938_100000210326 [0,0,0,0,0,0|3,0,1]=4 1302 B11R0.3 CCCCCSCCOCCO 62a_100000210326_100011215305 [0,0,0,0,0,0|2,0,2]=4 1303 B11R0.3 CCCCCSCCOCCO 62a_100011215305_100000210326 [0,0,0,0,0,0|2,0,2]=4 1304 B11R0.3 CCCCCSCOCCCC 62a_100000210326_100011995733 [0,0,0,0,0,0|3,0,1]=4 1305 B11R0.3 CCCCCSCOCCCC 62a_100011995733_100000210326 [0,0,0,0,0,0|3,0,1]=4 1306 B11R0.3 CCCCCSCOCCOC 62a_100000210326_100000231047 [0,0,0,0,0,0|4,0,0]=4 1307 B11R0.3 CCCCCSCOCCOC 62a_100000231047_100000210326 [0,0,0,0,0,0|4,0,0]=4 1308 B11R0.3 CCCCNCCCCCC#N 2230a_100000102301_100009813376 [0,0,0,0,0,0|2,0,1]=3 1309 B11R0.3 CCCCNCCCCCC#N 7a_106832991798_100009813376 [0,0,0,0,0,0|2,0,1]=3 1310 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [0,0,0,0,0,0|1,0,0]=1 1311 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [0,0,0,0,0,0|1,0,0]=1 1312 B11R0.3 CCCCNCCCCCCF 2230a_100000102301_100015922095 [0,0,0,0,0,0|2,0,1]=3 1313 B11R0.3 CCCCNCCCCCCF 7a_106832991798_100015922095 [0,0,0,0,0,0|2,0,1]=3 1314 B11R0.3 CCCCNCCCCCCO 2230a_100000102301_100000766143 [0,0,0,0,0,0|1,0,2]=3 1315 B11R0.3 CCCCNCCCCCCO 2230a_100000686447_100000210211 [0,0,0,0,0,0|1,0,2]=3 1316 B11R0.3 CCCCNCCCCCCO 34a_100000686447_100000210210 [0,0,0,0,0,0|1,0,2]=3 1317 B11R0.3 CCCCNCCCCCCO 7a_106832991798_100000766143 [0,0,0,0,0,0|1,0,2]=3 1318 B11R0.3 CCCCNCCCCCOC 2230a_100000747528_100000210211 [0,0,0,0,0,0|3,0,0]=3 1319 B11R0.3 CCCCNCCCCCOC 34a_100000747528_100000210210 [0,0,0,0,0,0|3,0,0]=3 1320 B11R0.3 CCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210211 [0,0,0,0,0,0|4,0,0]=4 1321 B11R0.3 CCCCNCCCCOCC 34a_200011216965_100000210202 [0,0,0,0,0,0|3,0,1]=4 1322 B11R0.3 CCCCNCCCCOCF 34a_200011216965_100015361967 [0,0,0,0,0,0|3,0,1]=4 1323 B11R0.3 CCCCNCCCOCCC 2230a_100011217757_100000210211 [0,0,0,0,0,0|3,0,1]=4 1324 B11R0.3 CCCCNCCCOCCC 34a_100011217757_100000210210 [0,0,0,0,0,0|3,0,1]=4 1325 B11R0.3 CCCCNCCOCCCC 2230a_100000102301_100000743108 [0,0,0,0,0,0|3,0,1]=4 1326 B11R0.3 CCCCNCCOCCCC 7a_106832991798_100000743108 [0,0,0,0,0,0|3,0,1]=4 1327 B11R0.3 CCCCNCCOCCOC 2230a_100000102301_100000695917 [0,0,0,0,0,0|4,0,0]=4 1328 B11R0.3 CCCCNCCOCCOC 2230a_100000745349_100000210211 [0,0,0,0,0,0|4,0,0]=4 1329 B11R0.3 CCCCNCCOCCOC 34a_100000745349_100000210210 [0,0,0,0,0,0|4,0,0]=4 1330 B11R0.3 CCCCNCCOCCOC 7a_106832991798_100000695917 [0,0,0,0,0,0|4,0,0]=4 1331 B11R0.3 CCCCNCCSCCCC 2230a_100025743550_100000210211 [0,0,0,0,0,0|3,0,1]=4 1332 B11R0.3 CCCCOCCCCCC#N 7a_100000210227_100009813376 [0,0,0,0,0,0|2,0,1]=3 1333 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [0,0,0,0,0,0|1,0,0]=1 1334 B11R0.3 CCCCOCCCCCCBr 34a_100011215345_100000210210 [0,0,0,0,0,0|2,0,1]=3 1335 B11R0.3 CCCCOCCCCCCBr 7a_100011215345_100000210211 [0,0,0,0,0,0|2,0,1]=3 1336 B11R0.3 CCCCOCCCCCCCl 34a_100000766143_100000210210 [0,0,0,0,0,0|2,0,1]=3 1337 B11R0.3 CCCCOCCCCCCCl 7a_100000766143_100000210211 [0,0,0,0,0,0|2,0,1]=3 1338 B11R0.3 CCCCOCCCCCCF 34a_100000210227_100015922095 [0,0,0,0,0,0|2,0,1]=3 1339 B11R0.3 CCCCOCCCCCCF 34a_100000732779_100000210210 [0,0,0,0,0,0|2,0,1]=3 1340 B11R0.3 CCCCOCCCCCCF 7a_100000210227_100015922095 [0,0,0,0,0,0|2,0,1]=3 1341 B11R0.3 CCCCOCCCCCCF 7a_100000732779_100000210211 [0,0,0,0,0,0|2,0,1]=3 1342 B11R0.3 CCCCOCCCCCCN 34a_100000686447_100000210210 [0,0,0,0,0,0|2,0,1]=3 1343 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [0,0,0,0,0,0|1,0,2]=3 1344 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [0,0,0,0,0,0|1,0,2]=3 1345 B11R0.3 CCCCOCCCCCNC 34a_100000722520_100000210210 [0,0,0,0,0,0|3,0,0]=3 1346 B11R0.3 CCCCOCCCCOCC 34a_200000760531_100000210202 [0,0,0,0,0,0|3,0,1]=4 1347 B11R0.3 CCCCOCCCCOCC 7a_200000760531_100000210202 [0,0,0,0,0,0|3,0,1]=4 1348 B11R0.3 CCCCOCCCCOCF 34a_200000760531_100015361967 [0,0,0,0,0,0|3,0,1]=4 1349 B11R0.3 CCCCOCCCCOCF 7a_200000760531_100015361967 [0,0,0,0,0,0|3,0,1]=4 1350 B11R0.3 CCCCOCCCNCC#N 2230a_200000211371_100011215382 [0,0,0,0,0,0|3,0,1]=4 1351 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [0,0,0,0,0,0|2,0,0]=2 1352 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [0,0,0,0,0,0|2,0,0]=2 1353 B11R0.3 CCCCOCCCNCCC 2230a_200000211371_100000210303 [0,0,0,0,0,0|3,0,1]=4 1354 B11R0.3 CCCCOCCCNCCC 34a_200000211371_100000210303 [0,0,0,0,0,0|3,0,1]=4 1355 B11R0.3 CCCCOCCCNCCF 2230a_200000211371_100011217306 [0,0,0,0,0,0|3,0,1]=4 1356 B11R0.3 CCCCOCCCNCCF 34a_200000211371_100011217306 [0,0,0,0,0,0|3,0,1]=4 1357 B11R0.3 CCCCOCCCNCCO 2230a_200000211371_100000211926 [0,0,0,0,0,0|2,0,2]=4 1358 B11R0.3 CCCCOCCCNCCO 34a_200000211371_100000211926 [0,0,0,0,0,0|2,0,2]=4 1359 B11R0.3 CCCCOCCCNCOC 2230a_200000211371_100000766300 [0,0,0,0,0,0|4,0,0]=4 1360 B11R0.3 CCCCOCCCNCSC 2230a_200000211371_100011218213 [0,0,0,0,0,0|4,0,0]=4 1361 B11R0.3 CCCCOCCCNCSC 34a_200000211371_100011218213 [0,0,0,0,0,0|4,0,0]=4 1362 B11R0.3 CCCCOCCCOCC#N 7a_200011215613_100011215382 [0,0,0,0,0,0|3,0,1]=4 1363 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [0,0,0,0,0,0|2,0,0]=2 1364 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [0,0,0,0,0,0|2,0,0]=2 1365 B11R0.3 CCCCOCCCOCCC 34a_200011215613_100000210303 [0,0,0,0,0,0|3,0,1]=4 1366 B11R0.3 CCCCOCCCOCCC 7a_200011215613_100000210303 [0,0,0,0,0,0|3,0,1]=4 1367 B11R0.3 CCCCOCCCOCCF 34a_200011215613_100011217306 [0,0,0,0,0,0|3,0,1]=4 1368 B11R0.3 CCCCOCCCOCCF 7a_200011215613_100011217306 [0,0,0,0,0,0|3,0,1]=4 1369 B11R0.3 CCCCOCCCOCCO 34a_200011215613_100000211926 [0,0,0,0,0,0|2,0,2]=4 1370 B11R0.3 CCCCOCCCOCCO 7a_200011215613_100000211926 [0,0,0,0,0,0|2,0,2]=4 1371 B11R0.3 CCCCOCCCOCSC 34a_200011215613_100011218213 [0,0,0,0,0,0|4,0,0]=4 1372 B11R0.3 CCCCOCCNCCCF 2230a_100015189416_100000743108 [0,0,0,0,0,0|3,0,1]=4 1373 B11R0.3 CCCCOCCNCCCF 34a_100015189416_100000743108 [0,0,0,0,0,0|3,0,1]=4 1374 B11R0.3 CCCCOCCNCCOC 2230a_100000209980_100000743108 [0,0,0,0,0,0|4,0,0]=4 1375 B11R0.3 CCCCOCCNCCSC 2230a_100020590264_100000743108 [0,0,0,0,0,0|4,0,0]=4 1376 B11R0.3 CCCCOCCOCCC#N 7a_100000210238_100000184422 [0,0,0,0,0,0|3,0,1]=4 1377 B11R0.3 CCCCOCCOCCCBr 34a_100011217188_100000743108 [0,0,0,0,0,0|3,0,1]=4 1378 B11R0.3 CCCCOCCOCCCC 34a_100000210227_100000743108 [0,0,0,0,0,0|3,0,1]=4 1379 B11R0.3 CCCCOCCOCCCC 34a_100000210238_100000210210 [0,0,0,0,0,0|3,0,1]=4 1380 B11R0.3 CCCCOCCOCCCC 7a_100000210227_100000743108 [0,0,0,0,0,0|3,0,1]=4 1381 B11R0.3 CCCCOCCOCCCC 7a_100000210238_100000210211 [0,0,0,0,0,0|3,0,1]=4 1382 B11R0.3 CCCCOCCOCCCCl 34a_100000230001_100000743108 [0,0,0,0,0,0|3,0,1]=4 1383 B11R0.3 CCCCOCCOCCCF 34a_100000210238_100011934791 [0,0,0,0,0,0|3,0,1]=4 1384 B11R0.3 CCCCOCCOCCCF 34a_100000759539_100000743108 [0,0,0,0,0,0|3,0,1]=4 1385 B11R0.3 CCCCOCCOCCCF 7a_100000210238_100011934791 [0,0,0,0,0,0|3,0,1]=4 1386 B11R0.3 CCCCOCCOCCCN 34a_100000182051_100000743108 [0,0,0,0,0,0|3,0,1]=4 1387 B11R0.3 CCCCOCCOCCCO 34a_100000210238_100000230001 [0,0,0,0,0,0|2,0,2]=4 1388 B11R0.3 CCCCOCCOCCCO 7a_100000210238_100011215043 [0,0,0,0,0,0|2,0,2]=4 1389 B11R0.3 CCCCOCCOCCNC 34a_100000228057_100000210210 [0,0,0,0,0,0|4,0,0]=4 1390 B11R0.3 CCCCOCCOCCOC 34a_100000210227_100000695917 [0,0,0,0,0,0|4,0,0]=4 1391 B11R0.3 CCCCOCCOCCOC 34a_100000210237_100000743108 [0,0,0,0,0,0|4,0,0]=4 1392 B11R0.3 CCCCOCCOCCOC 34a_100000210238_100011201679 [0,0,0,0,0,0|4,0,0]=4 1393 B11R0.3 CCCCOCCOCCOC 34a_100011215163_100000210210 [0,0,0,0,0,0|4,0,0]=4 1394 B11R0.3 CCCCOCCOCCOC 34a_100011215186_200000210301 [0,0,0,0,0,0|4,0,0]=4 1395 B11R0.3 CCCCOCCOCCOC 7a_100000210227_100000695917 [0,0,0,0,0,0|4,0,0]=4 1396 B11R0.3 CCCCOCCOCCOC 7a_100000210238_100000233755 [0,0,0,0,0,0|4,0,0]=4 1397 B11R0.3 CCCCOCCOCCOC 7a_100011215163_100000210211 [0,0,0,0,0,0|4,0,0]=4 1398 B11R0.3 CCCCOCCOCCOC 7a_100011215186_200000210301 [0,0,0,0,0,0|4,0,0]=4 1399 B11R0.3 CCCCOCCOCCON 34a_100000700252_100000743108 [0,0,0,0,0,0|4,0,0]=4 1400 B11R0.3 CCCCOCCOCCO[13CH3] 34a_100011215186_200025704644 [0,0,0,0,0,0|4,0,0]=4 1401 B11R0.3 CCCCOCCOCCO[13CH3] 7a_100011215186_200025704644 [0,0,0,0,0,0|4,0,0]=4 1402 B11R0.3 CCCCOCCOCCSC 34a_100000210238_100000212216 [0,0,0,0,0,0|4,0,0]=4 1403 B11R0.3 CCCCOCCOCCSC 34a_100000230434_100000743108 [0,0,0,0,0,0|4,0,0]=4 1404 B11R0.3 CCCCOCCOCCSC 7a_100000210238_100000212216 [0,0,0,0,0,0|4,0,0]=4 1405 B11R0.3 CCCCOCCOCCSC 7a_100000230434_100000743108 [0,0,0,0,0,0|4,0,0]=4 1406 B11R0.3 CCCCOCCSCCC#N 62a_100000743108_100011215226 [0,0,0,0,0,0|3,0,1]=4 1407 B11R0.3 CCCCOCCSCCC#N 62a_100011215226_100000743108 [0,0,0,0,0,0|3,0,1]=4 1408 B11R0.3 CCCCOCCSCCCC 34a_200000230436_100000210210 [0,0,0,0,0,0|3,0,1]=4 1409 B11R0.3 CCCCOCCSCCCC 62a_100000210211_100000743108 [0,0,0,0,0,0|3,0,1]=4 1410 B11R0.3 CCCCOCCSCCCC 62a_100000743108_100000210210 [0,0,0,0,0,0|3,0,1]=4 1411 B11R0.3 CCCCOCCSCCCC 7a_200000230436_100000210211 [0,0,0,0,0,0|3,0,1]=4 1412 B11R0.3 CCCCOCCSCCCF 62a_100000743108_100011934791 [0,0,0,0,0,0|3,0,1]=4 1413 B11R0.3 CCCCOCCSCCCF 62a_100011934791_100000743108 [0,0,0,0,0,0|3,0,1]=4 1414 B11R0.3 CCCCOCCSCCCO 62a_100000743108_100011215043 [0,0,0,0,0,0|2,0,2]=4 1415 B11R0.3 CCCCOCCSCCCO 62a_100011215043_100000743108 [0,0,0,0,0,0|2,0,2]=4 1416 B11R0.3 CCCCOCCSCCOC 62a_100000233755_100000743108 [0,0,0,0,0,0|4,0,0]=4 1417 B11R0.3 CCCCOCCSCCOC 62a_100000743108_100000233755 [0,0,0,0,0,0|4,0,0]=4 1418 B11R0.3 CCCCOCCSCCSC 62a_100000212216_100000743108 [0,0,0,0,0,0|4,0,0]=4 1419 B11R0.3 CCCCOCCSCCSC 62a_100000743108_100000751147 [0,0,0,0,0,0|4,0,0]=4 1420 B11R0.3 CCCCOCNCCCCO 2230a_100000750430_100011995733 [0,0,0,0,0,0|2,0,2]=4 1421 B11R0.3 CCCCOCNCCCCO 34a_100000750430_100011995733 [0,0,0,0,0,0|2,0,2]=4 1422 B11R0.3 CCCCOCNCCCOC 34a_100150723488_100011995733 [0,0,0,0,0,0|4,0,0]=4 1423 B11R0.3 CCCCOCNCCCSC 2230a_100000749238_100011995733 [0,0,0,0,0,0|4,0,0]=4 1424 B11R0.3 CCCCOCOCCCCBr 34a_100011216708_100011995733 [0,0,0,0,0,0|3,0,1]=4 1425 B11R0.3 CCCCOCOCCCCCl 34a_100000210776_100011995733 [0,0,0,0,0,0|3,0,1]=4 1426 B11R0.3 CCCCOCOCCCCF 34a_100011995726_100011995733 [0,0,0,0,0,0|3,0,1]=4 1427 B11R0.3 CCCCOCOCCCCI 34a_200012148704_100011995733 [0,0,0,0,0,0|3,0,1]=4 1428 B11R0.3 CCCCOCOCCCCN 34a_100000750430_100011995733 [0,0,0,0,0,0|3,0,1]=4 1429 B11R0.3 CCCCOCOCCCNC 34a_100000213112_100011995733 [0,0,0,0,0,0|4,0,0]=4 1430 B11R0.3 CCCCOCOCCCOC 34a_100000740835_100011995733 [0,0,0,0,0,0|4,0,0]=4 1431 B11R0.3 CCCCOCOCCCSC 34a_100000690336_100011995733 [0,0,0,0,0,0|4,0,0]=4 1432 B11R0.3 CCCCOCSCCCC#N 62a_100000687738_100011995733 [0,0,0,0,0,0|3,0,1]=4 1433 B11R0.3 CCCCOCSCCCC#N 62a_100011995733_100000687738 [0,0,0,0,0,0|3,0,1]=4 1434 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [0,0,0,0,0,0|2,0,0]=2 1435 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [0,0,0,0,0,0|2,0,0]=2 1436 B11R0.3 CCCCOCSCCCCF 62a_100000729493_100011995733 [0,0,0,0,0,0|3,0,1]=4 1437 B11R0.3 CCCCOCSCCCCF 62a_100011995733_100000729493 [0,0,0,0,0,0|3,0,1]=4 1438 B11R0.3 CCCCOCSCCCCO 62a_100000210776_100011995733 [0,0,0,0,0,0|2,0,2]=4 1439 B11R0.3 CCCCOCSCCCCO 62a_100011995733_100000210776 [0,0,0,0,0,0|2,0,2]=4 1440 B11R0.3 CCCCOCSCCCOC 62a_100000709357_100011995733 [0,0,0,0,0,0|4,0,0]=4 1441 B11R0.3 CCCCOCSCCCOC 62a_100011995733_100000709357 [0,0,0,0,0,0|4,0,0]=4 1442 B11R0.3 CCCCSCCCCCC#N 62a_100000210211_100009813376 [0,0,0,0,0,0|2,0,1]=3 1443 B11R0.3 CCCCSCCCCCC#N 62a_100009813376_100000210210 [0,0,0,0,0,0|2,0,1]=3 1444 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [0,0,0,0,0,0|1,0,0]=1 1445 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [0,0,0,0,0,0|1,0,0]=1 1446 B11R0.3 CCCCSCCCCCCF 62a_100000210211_100015922095 [0,0,0,0,0,0|2,0,1]=3 1447 B11R0.3 CCCCSCCCCCCF 62a_100015922095_100000210210 [0,0,0,0,0,0|2,0,1]=3 1448 B11R0.3 CCCCSCCCCCCO 62a_100000210211_100000766143 [0,0,0,0,0,0|1,0,2]=3 1449 B11R0.3 CCCCSCCCCCCO 62a_100000766143_100000210210 [0,0,0,0,0,0|1,0,2]=3 1450 B11R0.3 CCCCSCCNCCC#N 2230a_100025743550_100011215226 [0,0,0,0,0,0|3,0,1]=4 1451 B11R0.3 CCCCSCCNCCCF 2230a_100025743550_100011934791 [0,0,0,0,0,0|3,0,1]=4 1452 B11R0.3 CCCCSCCNCCCO 2230a_100025743550_100000230001 [0,0,0,0,0,0|2,0,2]=4 1453 B11R0.3 CCCCSCCNCCOC 2230a_100025743550_100011201679 [0,0,0,0,0,0|4,0,0]=4 1454 B11R0.3 CCCCSCCNCCSC 2230a_100025743550_100000751147 [0,0,0,0,0,0|4,0,0]=4 1455 B11R0.3 CCCCSCCOCCC#N 7a_200000230436_100000184422 [0,0,0,0,0,0|3,0,1]=4 1456 B11R0.3 CCCCSCCOCCCF 34a_200000230436_100011934791 [0,0,0,0,0,0|3,0,1]=4 1457 B11R0.3 CCCCSCCOCCCF 7a_200000230436_100011934791 [0,0,0,0,0,0|3,0,1]=4 1458 B11R0.3 CCCCSCCOCCCO 34a_200000230436_100000230001 [0,0,0,0,0,0|2,0,2]=4 1459 B11R0.3 CCCCSCCOCCCO 7a_200000230436_100011215043 [0,0,0,0,0,0|2,0,2]=4 1460 B11R0.3 CCCCSCCOCCOC 34a_200000230436_100011201679 [0,0,0,0,0,0|4,0,0]=4 1461 B11R0.3 CCCCSCCOCCOC 62a_100000210211_100000695917 [0,0,0,0,0,0|4,0,0]=4 1462 B11R0.3 CCCCSCCOCCOC 62a_100000695917_100000210210 [0,0,0,0,0,0|4,0,0]=4 1463 B11R0.3 CCCCSCCOCCOC 7a_200000230436_100000233755 [0,0,0,0,0,0|4,0,0]=4 1464 B11R0.3 CCCCSCCOCCSC 34a_200000230436_100000212216 [0,0,0,0,0,0|4,0,0]=4 1465 B11R0.3 CCCCSCCOCCSC 7a_200000230436_100000212216 [0,0,0,0,0,0|4,0,0]=4 1466 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [0,0,0,0,0,0|1,0,2]=3 1467 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [0,0,0,0,0,0|1,0,2]=3 1468 B11R0.3 CCCNCCCOCCCO 2230a_100011310245_100000210303 [0,0,0,0,0,0|2,0,2]=4 1469 B11R0.3 CCCNCCCOCCCO 34a_100011310245_100000210303 [0,0,0,0,0,0|2,0,2]=4 1470 B11R0.3 CCCNCCCOCCOC 2230a_100000206027_100000210303 [0,0,0,0,0,0|4,0,0]=4 1471 B11R0.3 CCCNCCCOCCOC 34a_100000206027_100000210303 [0,0,0,0,0,0|4,0,0]=4 1472 B11R0.3 CCCOCCCCCCCBr 34a_100000760002_100000210303 [0,0,0,0,0,0|2,0,1]=3 1473 B11R0.3 CCCOCCCCCCCBr 7a_100000760002_100000210303 [0,0,0,0,0,0|2,0,1]=3 1474 B11R0.3 CCCOCCCCCCCN 34a_100011996573_100000210303 [0,0,0,0,0,0|2,0,1]=3 1475 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [0,0,0,0,0,0|1,0,2]=3 1476 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [0,0,0,0,0,0|3,0,0]=3 1477 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [0,0,0,0,0,0|3,0,0]=3 1478 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [0,0,0,0,0,0|3,0,0]=3 1479 B11R0.3 CCCOCCCNCCC#N 2230a_100011217757_100011215226 [0,0,0,0,0,0|3,0,1]=4 1480 B11R0.3 CCCOCCCNCCCF 2230a_100011217757_100011934791 [0,0,0,0,0,0|3,0,1]=4 1481 B11R0.3 CCCOCCCNCCCF 34a_100011217757_100011934791 [0,0,0,0,0,0|3,0,1]=4 1482 B11R0.3 CCCOCCCNCCCO 2230a_100011217757_100000230001 [0,0,0,0,0,0|2,0,2]=4 1483 B11R0.3 CCCOCCCNCCCO 34a_100011217757_100000230001 [0,0,0,0,0,0|2,0,2]=4 1484 B11R0.3 CCCOCCCNCCOC 2230a_100011217757_100011201679 [0,0,0,0,0,0|4,0,0]=4 1485 B11R0.3 CCCOCCCNCCOC 34a_100011217757_100011201679 [0,0,0,0,0,0|4,0,0]=4 1486 B11R0.3 CCCOCCCNCCSC 2230a_100011217757_100000751147 [0,0,0,0,0,0|4,0,0]=4 1487 B11R0.3 CCCOCCCNCCSC 34a_100011217757_100000212216 [0,0,0,0,0,0|4,0,0]=4 1488 B11R0.3 CCCOCCCOCCCN 34a_100011310245_100000210303 [0,0,0,0,0,0|3,0,1]=4 1489 B11R0.3 CCCOCCCOCCOC 34a_100000210258_100011216529 [0,0,0,0,0,0|4,0,0]=4 1490 B11R0.3 CCCOCCNCCCC#N 2230a_100161115042_100000687738 [0,0,0,0,0,0|3,0,1]=4 1491 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [0,0,0,0,0,0|2,0,0]=2 1492 B11R0.3 CCCOCCNCCCCF 2230a_100161115042_100000729493 [0,0,0,0,0,0|3,0,1]=4 1493 B11R0.3 CCCOCCNCCCCF 34a_100161115042_100000729493 [0,0,0,0,0,0|3,0,1]=4 1494 B11R0.3 CCCOCCNCCCCO 2230a_100000750430_100011215938 [0,0,0,0,0,0|2,0,2]=4 1495 B11R0.3 CCCOCCNCCCCO 2230a_100161115042_100000210776 [0,0,0,0,0,0|2,0,2]=4 1496 B11R0.3 CCCOCCNCCCCO 34a_100000750430_100011215938 [0,0,0,0,0,0|2,0,2]=4 1497 B11R0.3 CCCOCCNCCCCO 34a_100161115042_100011216708 [0,0,0,0,0,0|2,0,2]=4 1498 B11R0.3 CCCOCCNCCCOC 2230a_100161115042_100000740836 [0,0,0,0,0,0|4,0,0]=4 1499 B11R0.3 CCCOCCNCCCOC 34a_100150723488_100011215938 [0,0,0,0,0,0|4,0,0]=4 1500 B11R0.3 CCCOCCNCCCOC 34a_100161115042_100000740836 [0,0,0,0,0,0|4,0,0]=4 1501 B11R0.3 CCCOCCNCCCSC 2230a_100000749238_100011215938 [0,0,0,0,0,0|4,0,0]=4 1502 B11R0.3 CCCOCCOCCCC#N 7a_100000752267_100000687738 [0,0,0,0,0,0|3,0,1]=4 1503 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [0,0,0,0,0,0|2,0,0]=2 1504 B11R0.3 CCCOCCOCCCCBr 34a_100011216708_100011215938 [0,0,0,0,0,0|3,0,1]=4 1505 B11R0.3 CCCOCCOCCCCCl 34a_100000210776_100011215938 [0,0,0,0,0,0|3,0,1]=4 1506 B11R0.3 CCCOCCOCCCCCl 7a_100000210776_100011215938 [0,0,0,0,0,0|3,0,1]=4 1507 B11R0.3 CCCOCCOCCCCF 34a_100000752267_100000729493 [0,0,0,0,0,0|3,0,1]=4 1508 B11R0.3 CCCOCCOCCCCF 34a_100011995726_100011215938 [0,0,0,0,0,0|3,0,1]=4 1509 B11R0.3 CCCOCCOCCCCF 7a_100000752267_100000729493 [0,0,0,0,0,0|3,0,1]=4 1510 B11R0.3 CCCOCCOCCCCF 7a_100011995726_100011215938 [0,0,0,0,0,0|3,0,1]=4 1511 B11R0.3 CCCOCCOCCCCI 34a_200012148704_100011215938 [0,0,0,0,0,0|3,0,1]=4 1512 B11R0.3 CCCOCCOCCCCN 34a_100000750430_100011215938 [0,0,0,0,0,0|3,0,1]=4 1513 B11R0.3 CCCOCCOCCCCO 34a_100000752267_100011216708 [0,0,0,0,0,0|2,0,2]=4 1514 B11R0.3 CCCOCCOCCCCO 7a_100000752267_100000210776 [0,0,0,0,0,0|2,0,2]=4 1515 B11R0.3 CCCOCCOCCCNC 34a_100000213112_100011215938 [0,0,0,0,0,0|4,0,0]=4 1516 B11R0.3 CCCOCCOCCCOC 34a_100000740835_100011215938 [0,0,0,0,0,0|4,0,0]=4 1517 B11R0.3 CCCOCCOCCCOC 34a_100000752267_100000740836 [0,0,0,0,0,0|4,0,0]=4 1518 B11R0.3 CCCOCCOCCCOC 7a_100000752267_100000740836 [0,0,0,0,0,0|4,0,0]=4 1519 B11R0.3 CCCOCCOCCCSC 34a_100000690336_100011215938 [0,0,0,0,0,0|4,0,0]=4 1520 B11R0.3 CCCOCCOCCCSC 7a_100000690336_100011215938 [0,0,0,0,0,0|4,0,0]=4 1521 B11R0.3 CCCOCCSCCCC#N 62a_100000687738_100011215938 [0,0,0,0,0,0|3,0,1]=4 1522 B11R0.3 CCCOCCSCCCC#N 62a_100011215938_100000687738 [0,0,0,0,0,0|3,0,1]=4 1523 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [0,0,0,0,0,0|2,0,0]=2 1524 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [0,0,0,0,0,0|2,0,0]=2 1525 B11R0.3 CCCOCCSCCCCF 62a_100000729493_100011215938 [0,0,0,0,0,0|3,0,1]=4 1526 B11R0.3 CCCOCCSCCCCF 62a_100011215938_100000729493 [0,0,0,0,0,0|3,0,1]=4 1527 B11R0.3 CCCOCCSCCCCO 62a_100000210776_100011215938 [0,0,0,0,0,0|2,0,2]=4 1528 B11R0.3 CCCOCCSCCCCO 62a_100011215938_100000210776 [0,0,0,0,0,0|2,0,2]=4 1529 B11R0.3 CCCOCCSCCCOC 62a_100000709357_100011215938 [0,0,0,0,0,0|4,0,0]=4 1530 B11R0.3 CCCOCCSCCCOC 62a_100011215938_100000709357 [0,0,0,0,0,0|4,0,0]=4 1531 B11R0.3 CCCSCCCCCCC#N 62a_100000210303_100009813337 [0,0,0,0,0,0|2,0,1]=3 1532 B11R0.3 CCCSCCCCCCC#N 62a_100009813337_100000210303 [0,0,0,0,0,0|2,0,1]=3 1533 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [0,0,0,0,0,0|1,0,2]=3 1534 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [0,0,0,0,0,0|1,0,2]=3 1535 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [0,0,0,0,0,0|3,0,0]=3 1536 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [0,0,0,0,0,0|3,0,0]=3 1537 B11R0.3 CCCSCCCOCCOC 62a_100000210303_100011216529 [0,0,0,0,0,0|4,0,0]=4 1538 B11R0.3 CCCSCCCOCCOC 62a_100011216529_100000210303 [0,0,0,0,0,0|4,0,0]=4 1539 B11R0.3 CCCSCCNCCCC#N 2230a_100020603323_100000687738 [0,0,0,0,0,0|3,0,1]=4 1540 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [0,0,0,0,0,0|2,0,0]=2 1541 B11R0.3 CCCSCCNCCCCF 2230a_100020603323_100000729493 [0,0,0,0,0,0|3,0,1]=4 1542 B11R0.3 CCCSCCNCCCCO 2230a_100020603323_100000210776 [0,0,0,0,0,0|2,0,2]=4 1543 B11R0.3 CCCSCCNCCCOC 2230a_100020603323_100000740836 [0,0,0,0,0,0|4,0,0]=4 1544 B11R0.3 CCCSCCOCCCC#N 7a_200000230433_100000687738 [0,0,0,0,0,0|3,0,1]=4 1545 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [0,0,0,0,0,0|2,0,0]=2 1546 B11R0.3 CCCSCCOCCCCF 34a_200000230433_100000729493 [0,0,0,0,0,0|3,0,1]=4 1547 B11R0.3 CCCSCCOCCCCF 7a_200000230433_100000729493 [0,0,0,0,0,0|3,0,1]=4 1548 B11R0.3 CCCSCCOCCCCO 34a_200000230433_100011216708 [0,0,0,0,0,0|2,0,2]=4 1549 B11R0.3 CCCSCCOCCCCO 7a_200000230433_100000210776 [0,0,0,0,0,0|2,0,2]=4 1550 B11R0.3 CCCSCCOCCCOC 34a_200000230433_100000740836 [0,0,0,0,0,0|4,0,0]=4 1551 B11R0.3 CCCSCCOCCCOC 7a_200000230433_100000740836 [0,0,0,0,0,0|4,0,0]=4 1552 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [0,0,0,0,0,0|1,0,2]=3 1553 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [0,0,0,0,0,0|1,0,2]=3 1554 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [0,0,0,0,0,0|1,0,2]=3 1555 B11R0.3 CCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210202 [0,0,0,0,0,0|4,0,0]=4 1556 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [0,0,0,0,0,0|2,0,1]=3 1557 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [0,0,0,0,0,0|2,0,1]=3 1558 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [0,0,0,0,0,0|2,0,1]=3 1559 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [0,0,0,0,0,0|2,0,1]=3 1560 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [0,0,0,0,0,0|2,0,1]=3 1561 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [0,0,0,0,0,0|1,0,2]=3 1562 B11R0.3 CCOCCCCCNCCN 34a_103619048469_100000210202 [0,0,0,0,0,0|3,0,1]=4 1563 B11R0.3 CCOCCCNCCCC#N 2230a_100000210961_100000687738 [0,0,0,0,0,0|3,0,1]=4 1564 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [0,0,0,0,0,0|2,0,0]=2 1565 B11R0.3 CCOCCCNCCCCF 2230a_100000210961_100000729493 [0,0,0,0,0,0|3,0,1]=4 1566 B11R0.3 CCOCCCNCCCCF 34a_100000210961_100000729493 [0,0,0,0,0,0|3,0,1]=4 1567 B11R0.3 CCOCCCNCCCCO 2230a_100000210961_100000210776 [0,0,0,0,0,0|2,0,2]=4 1568 B11R0.3 CCOCCCNCCCCO 2230a_100000750430_100012232248 [0,0,0,0,0,0|2,0,2]=4 1569 B11R0.3 CCOCCCNCCCCO 34a_100000210961_100011216708 [0,0,0,0,0,0|2,0,2]=4 1570 B11R0.3 CCOCCCNCCCCO 34a_100000750430_100012232248 [0,0,0,0,0,0|2,0,2]=4 1571 B11R0.3 CCOCCCNCCCOC 2230a_100000210961_100000740836 [0,0,0,0,0,0|4,0,0]=4 1572 B11R0.3 CCOCCCNCCCOC 34a_100000210961_100000740836 [0,0,0,0,0,0|4,0,0]=4 1573 B11R0.3 CCOCCCNCCCOC 34a_100150723488_100012232248 [0,0,0,0,0,0|4,0,0]=4 1574 B11R0.3 CCOCCCNCCCSC 2230a_100000749238_100012232248 [0,0,0,0,0,0|4,0,0]=4 1575 B11R0.3 CCOCCCOCCCC#N 7a_100000757476_100000687738 [0,0,0,0,0,0|3,0,1]=4 1576 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [0,0,0,0,0,0|2,0,0]=2 1577 B11R0.3 CCOCCCOCCCCBr 34a_100011216708_100012232248 [0,0,0,0,0,0|3,0,1]=4 1578 B11R0.3 CCOCCCOCCCCCl 34a_100000210776_100012232248 [0,0,0,0,0,0|3,0,1]=4 1579 B11R0.3 CCOCCCOCCCCCl 7a_100000210776_100012232248 [0,0,0,0,0,0|3,0,1]=4 1580 B11R0.3 CCOCCCOCCCCF 34a_100000757476_100000729493 [0,0,0,0,0,0|3,0,1]=4 1581 B11R0.3 CCOCCCOCCCCF 34a_100011995726_100012232248 [0,0,0,0,0,0|3,0,1]=4 1582 B11R0.3 CCOCCCOCCCCF 7a_100000757476_100000729493 [0,0,0,0,0,0|3,0,1]=4 1583 B11R0.3 CCOCCCOCCCCF 7a_100011995726_100012232248 [0,0,0,0,0,0|3,0,1]=4 1584 B11R0.3 CCOCCCOCCCCI 34a_200012148704_100012232248 [0,0,0,0,0,0|3,0,1]=4 1585 B11R0.3 CCOCCCOCCCCN 34a_100000750430_100012232248 [0,0,0,0,0,0|3,0,1]=4 1586 B11R0.3 CCOCCCOCCCCO 34a_100000757476_100011216708 [0,0,0,0,0,0|2,0,2]=4 1587 B11R0.3 CCOCCCOCCCCO 7a_100000757476_100000210776 [0,0,0,0,0,0|2,0,2]=4 1588 B11R0.3 CCOCCCOCCCNC 34a_100000213112_100012232248 [0,0,0,0,0,0|4,0,0]=4 1589 B11R0.3 CCOCCCOCCCOC 34a_100000740835_100012232248 [0,0,0,0,0,0|4,0,0]=4 1590 B11R0.3 CCOCCCOCCCOC 34a_100000757476_100000740836 [0,0,0,0,0,0|4,0,0]=4 1591 B11R0.3 CCOCCCOCCCOC 34a_200011215475_100000210202 [0,0,0,0,0,0|4,0,0]=4 1592 B11R0.3 CCOCCCOCCCOC 7a_100000757476_100000740836 [0,0,0,0,0,0|4,0,0]=4 1593 B11R0.3 CCOCCCOCCCOC 7a_200011215475_100000210202 [0,0,0,0,0,0|4,0,0]=4 1594 B11R0.3 CCOCCCOCCCSC 34a_100000690336_100012232248 [0,0,0,0,0,0|4,0,0]=4 1595 B11R0.3 CCOCCCOCCCSC 7a_100000690336_100012232248 [0,0,0,0,0,0|4,0,0]=4 1596 B11R0.3 CCOCCCSCCCC#N 62a_100000687738_100012232248 [0,0,0,0,0,0|3,0,1]=4 1597 B11R0.3 CCOCCCSCCCC#N 62a_100012232248_100000687738 [0,0,0,0,0,0|3,0,1]=4 1598 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [0,0,0,0,0,0|2,0,0]=2 1599 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [0,0,0,0,0,0|2,0,0]=2 1600 B11R0.3 CCOCCCSCCCCF 62a_100000729493_100012232248 [0,0,0,0,0,0|3,0,1]=4 1601 B11R0.3 CCOCCCSCCCCF 62a_100012232248_100000729493 [0,0,0,0,0,0|3,0,1]=4 1602 B11R0.3 CCOCCCSCCCCO 62a_100000210776_100012232248 [0,0,0,0,0,0|2,0,2]=4 1603 B11R0.3 CCOCCCSCCCCO 62a_100012232248_100000210776 [0,0,0,0,0,0|2,0,2]=4 1604 B11R0.3 CCOCCCSCCCOC 62a_100000709357_100012232248 [0,0,0,0,0,0|4,0,0]=4 1605 B11R0.3 CCOCCCSCCCOC 62a_100012232248_100000709357 [0,0,0,0,0,0|4,0,0]=4 1606 B11R0.3 CCOCCNCCCCC#N 2230a_102516460346_100000211819 [0,0,0,0,0,0|3,0,1]=4 1607 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [0,0,0,0,0,0|2,0,0]=2 1608 B11R0.3 CCOCCNCCCCCF 2230a_102516460346_100000729378 [0,0,0,0,0,0|3,0,1]=4 1609 B11R0.3 CCOCCNCCCCCF 34a_102516460346_100000729378 [0,0,0,0,0,0|3,0,1]=4 1610 B11R0.3 CCOCCNCCCCCO 2230a_100000762737_100011215890 [0,0,0,0,0,0|2,0,2]=4 1611 B11R0.3 CCOCCNCCCCCO 2230a_102516460346_100000746330 [0,0,0,0,0,0|2,0,2]=4 1612 B11R0.3 CCOCCNCCCCCO 34a_100000762737_100000210147 [0,0,0,0,0,0|2,0,2]=4 1613 B11R0.3 CCOCCNCCCCCO 34a_102516460346_100000746330 [0,0,0,0,0,0|2,0,2]=4 1614 B11R0.3 CCOCCNCCCCOC 2230a_102516460346_100000730899 [0,0,0,0,0,0|4,0,0]=4 1615 B11R0.3 CCOCCNCCCCOC 34a_102516460346_100000755781 [0,0,0,0,0,0|4,0,0]=4 1616 B11R0.3 CCOCCOCCCCC#N 7a_100000210136_100000211819 [0,0,0,0,0,0|3,0,1]=4 1617 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [0,0,0,0,0,0|2,0,0]=2 1618 B11R0.3 CCOCCOCCCCCBr 34a_100000746331_100000210147 [0,0,0,0,0,0|3,0,1]=4 1619 B11R0.3 CCOCCOCCCCCBr 7a_100000746331_100011215890 [0,0,0,0,0,0|3,0,1]=4 1620 B11R0.3 CCOCCOCCCCCCl 34a_100000746330_100000210147 [0,0,0,0,0,0|3,0,1]=4 1621 B11R0.3 CCOCCOCCCCCCl 7a_100000746330_100011215890 [0,0,0,0,0,0|3,0,1]=4 1622 B11R0.3 CCOCCOCCCCCF 34a_100000210136_100000729378 [0,0,0,0,0,0|3,0,1]=4 1623 B11R0.3 CCOCCOCCCCCF 7a_100000210136_100000729378 [0,0,0,0,0,0|3,0,1]=4 1624 B11R0.3 CCOCCOCCCCCI 34a_200012148887_100000210147 [0,0,0,0,0,0|3,0,1]=4 1625 B11R0.3 CCOCCOCCCCCI 7a_200012148887_100011215890 [0,0,0,0,0,0|3,0,1]=4 1626 B11R0.3 CCOCCOCCCCCN 34a_100000762737_100000210147 [0,0,0,0,0,0|3,0,1]=4 1627 B11R0.3 CCOCCOCCCCCO 34a_100000210136_100000746330 [0,0,0,0,0,0|2,0,2]=4 1628 B11R0.3 CCOCCOCCCCCO 7a_100000210136_100000746330 [0,0,0,0,0,0|2,0,2]=4 1629 B11R0.3 CCOCCOCCCCOC 34a_100000210136_100000755781 [0,0,0,0,0,0|4,0,0]=4 1630 B11R0.3 CCOCCOCCCCOC 34a_100000740925_100000210147 [0,0,0,0,0,0|4,0,0]=4 1631 B11R0.3 CCOCCOCCCCOC 7a_100000210136_100000730899 [0,0,0,0,0,0|4,0,0]=4 1632 B11R0.3 CCOCCOCCCCSC 34a_100011217163_100000210147 [0,0,0,0,0,0|4,0,0]=4 1633 B11R0.3 CCOCCOCCCCSC 7a_100011217163_100011215890 [0,0,0,0,0,0|4,0,0]=4 1634 B11R0.3 CCOCCOCCNCC=O 2230a_100102712874_200015260668 [0,0,0,0,0,0|3,0,0]=3 1635 B11R0.3 CCOCCOCCNCC=O 34a_100102712874_200009817547 [0,0,0,0,0,0|3,0,0]=3 1636 B11R0.3 CCOCCOCCOCC=O 34a_100000210240_200009817547 [0,0,0,0,0,0|3,0,0]=3 1637 B11R0.3 CCOCCOCCOCC=O 7a_100000210240_200015260668 [0,0,0,0,0,0|3,0,0]=3 1638 B11R0.3 CCOCCOCCSCC=O 62a_100011211534_200015260668 [0,0,0,0,0,0|3,0,0]=3 1639 B11R0.3 CCOCCOCCSCC=O 62a_200015260668_100011211534 [0,0,0,0,0,0|3,0,0]=3 1640 B11R0.3 CCOCCSCCCCC#N 62a_100000210147_100000211819 [0,0,0,0,0,0|3,0,1]=4 1641 B11R0.3 CCOCCSCCCCC#N 62a_100011219923_100011215890 [0,0,0,0,0,0|3,0,1]=4 1642 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [0,0,0,0,0,0|2,0,0]=2 1643 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [0,0,0,0,0,0|2,0,0]=2 1644 B11R0.3 CCOCCSCCCCCF 62a_100000210147_100000729378 [0,0,0,0,0,0|3,0,1]=4 1645 B11R0.3 CCOCCSCCCCCF 62a_100000729378_100011215890 [0,0,0,0,0,0|3,0,1]=4 1646 B11R0.3 CCOCCSCCCCCO 62a_100000210147_100000746330 [0,0,0,0,0,0|2,0,2]=4 1647 B11R0.3 CCOCCSCCCCCO 62a_100000746330_100011215890 [0,0,0,0,0,0|2,0,2]=4 1648 B11R0.3 CCOCCSCCCCOC 62a_100000210147_100000730899 [0,0,0,0,0,0|4,0,0]=4 1649 B11R0.3 CCOCCSCCCCOC 62a_100000730899_100011215890 [0,0,0,0,0,0|4,0,0]=4 1650 B11R0.3 CCOCSCCCCCC#N 62a_100000739092_100009813376 [0,0,0,0,0,0|3,0,1]=4 1651 B11R0.3 CCOCSCCCCCC#N 62a_100009813376_100000739092 [0,0,0,0,0,0|3,0,1]=4 1652 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [0,0,0,0,0,0|2,0,0]=2 1653 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [0,0,0,0,0,0|2,0,0]=2 1654 B11R0.3 CCOCSCCCCCCF 62a_100000739092_100015922095 [0,0,0,0,0,0|3,0,1]=4 1655 B11R0.3 CCOCSCCCCCCF 62a_100015922095_100000739092 [0,0,0,0,0,0|3,0,1]=4 1656 B11R0.3 CCOCSCCCCCCO 62a_100000739092_100000766143 [0,0,0,0,0,0|2,0,2]=4 1657 B11R0.3 CCOCSCCCCCCO 62a_100000766143_100000739092 [0,0,0,0,0,0|2,0,2]=4 1658 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [0,0,0,0,0,0|1,0,2]=3 1659 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [0,0,0,0,0,0|1,0,2]=3 1660 B11R0.3 CCSCCCOCCCC#N 7a_100011216438_100000687738 [0,0,0,0,0,0|3,0,1]=4 1661 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [0,0,0,0,0,0|2,0,0]=2 1662 B11R0.3 CCSCCCOCCCCF 34a_100011216438_100000729493 [0,0,0,0,0,0|3,0,1]=4 1663 B11R0.3 CCSCCCOCCCCF 7a_100011216438_100000729493 [0,0,0,0,0,0|3,0,1]=4 1664 B11R0.3 CCSCCCOCCCCO 34a_100011216438_100011216708 [0,0,0,0,0,0|2,0,2]=4 1665 B11R0.3 CCSCCCOCCCCO 7a_100011216438_100000210776 [0,0,0,0,0,0|2,0,2]=4 1666 B11R0.3 CCSCCCOCCCOC 34a_100011216438_100000740836 [0,0,0,0,0,0|4,0,0]=4 1667 B11R0.3 CCSCCCOCCCOC 7a_100011216438_100000740836 [0,0,0,0,0,0|4,0,0]=4 1668 B11R0.3 CCSCCNCCCCC#N 2230a_100000106463_100000211819 [0,0,0,0,0,0|3,0,1]=4 1669 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [0,0,0,0,0,0|2,0,0]=2 1670 B11R0.3 CCSCCNCCCCCF 2230a_100000106463_100000729378 [0,0,0,0,0,0|3,0,1]=4 1671 B11R0.3 CCSCCNCCCCCO 2230a_100000106463_100000746330 [0,0,0,0,0,0|2,0,2]=4 1672 B11R0.3 CCSCCNCCCCCO 2230a_100000762737_100000757381 [0,0,0,0,0,0|2,0,2]=4 1673 B11R0.3 CCSCCNCCCCCO 34a_100000762737_100000757381 [0,0,0,0,0,0|2,0,2]=4 1674 B11R0.3 CCSCCNCCCCOC 2230a_100000106463_100000730899 [0,0,0,0,0,0|4,0,0]=4 1675 B11R0.3 CCSCCOCCCCC#N 7a_100000212035_100000211819 [0,0,0,0,0,0|3,0,1]=4 1676 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [0,0,0,0,0,0|2,0,0]=2 1677 B11R0.3 CCSCCOCCCCCBr 34a_100000746331_100000757381 [0,0,0,0,0,0|3,0,1]=4 1678 B11R0.3 CCSCCOCCCCCBr 7a_100000746331_100000757381 [0,0,0,0,0,0|3,0,1]=4 1679 B11R0.3 CCSCCOCCCCCCl 34a_100000746330_100000757381 [0,0,0,0,0,0|3,0,1]=4 1680 B11R0.3 CCSCCOCCCCCCl 7a_100000746330_100000757381 [0,0,0,0,0,0|3,0,1]=4 1681 B11R0.3 CCSCCOCCCCCF 34a_100000212035_100000729378 [0,0,0,0,0,0|3,0,1]=4 1682 B11R0.3 CCSCCOCCCCCF 7a_100000212035_100000729378 [0,0,0,0,0,0|3,0,1]=4 1683 B11R0.3 CCSCCOCCCCCI 34a_200012148887_100000757381 [0,0,0,0,0,0|3,0,1]=4 1684 B11R0.3 CCSCCOCCCCCI 7a_200012148887_100000757381 [0,0,0,0,0,0|3,0,1]=4 1685 B11R0.3 CCSCCOCCCCCN 34a_100000762737_100000757381 [0,0,0,0,0,0|3,0,1]=4 1686 B11R0.3 CCSCCOCCCCCO 34a_100000212035_100000746330 [0,0,0,0,0,0|2,0,2]=4 1687 B11R0.3 CCSCCOCCCCCO 7a_100000212035_100000746330 [0,0,0,0,0,0|2,0,2]=4 1688 B11R0.3 CCSCCOCCCCOC 34a_100000212035_100000755781 [0,0,0,0,0,0|4,0,0]=4 1689 B11R0.3 CCSCCOCCCCOC 34a_100000740925_100000757381 [0,0,0,0,0,0|4,0,0]=4 1690 B11R0.3 CCSCCOCCCCOC 7a_100000212035_100000730899 [0,0,0,0,0,0|4,0,0]=4 1691 B11R0.3 CCSCCOCCCCSC 34a_100011217163_100000757381 [0,0,0,0,0,0|4,0,0]=4 1692 B11R0.3 CCSCCOCCCCSC 7a_100011217163_100000757381 [0,0,0,0,0,0|4,0,0]=4 1693 B11R0.3 CCSCCSCCCCC#N 62a_100000757381_100000211819 [0,0,0,0,0,0|3,0,1]=4 1694 B11R0.3 CCSCCSCCCCC#N 62a_100011219923_100000757381 [0,0,0,0,0,0|3,0,1]=4 1695 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [0,0,0,0,0,0|2,0,0]=2 1696 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [0,0,0,0,0,0|2,0,0]=2 1697 B11R0.3 CCSCCSCCCCCF 62a_100000729378_100000757381 [0,0,0,0,0,0|3,0,1]=4 1698 B11R0.3 CCSCCSCCCCCF 62a_100000757381_100000729378 [0,0,0,0,0,0|3,0,1]=4 1699 B11R0.3 CCSCCSCCCCCO 62a_100000746330_100000757381 [0,0,0,0,0,0|2,0,2]=4 1700 B11R0.3 CCSCCSCCCCCO 62a_100000757381_100000746330 [0,0,0,0,0,0|2,0,2]=4 1701 B11R0.3 CCSCCSCCCCOC 62a_100000730899_100000757381 [0,0,0,0,0,0|4,0,0]=4 1702 B11R0.3 CCSCCSCCCCOC 62a_100000757381_100000730899 [0,0,0,0,0,0|4,0,0]=4 1703 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [0,0,0,0,0,0|1,0,2]=3 1704 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [0,0,0,0,0,0|1,0,2]=3 1705 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [0,0,0,0,0,0|1,0,2]=3 1706 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [0,0,0,0,0,0|1,0,2]=3 1707 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [0,0,0,0,0,0|1,0,2]=3 1708 B11R0.3 CNCCCCCOCCCF 34a_100000722520_100011934791 [0,0,0,0,0,0|3,0,1]=4 1709 B11R0.3 CNCCCCCOCCCO 34a_100000722520_100000230001 [0,0,0,0,0,0|2,0,2]=4 1710 B11R0.3 CNCCCCCOCCOC 34a_100000722520_100011201679 [0,0,0,0,0,0|4,0,0]=4 1711 B11R0.3 CNCCCCCOCCSC 34a_100000722520_100000212216 [0,0,0,0,0,0|4,0,0]=4 1712 B11R0.3 CNCCCOCCCCCF 34a_100000213112_100000729378 [0,0,0,0,0,0|3,0,1]=4 1713 B11R0.3 CNCCCOCCCCCO 34a_100000213112_100000746330 [0,0,0,0,0,0|2,0,2]=4 1714 B11R0.3 CNCCCOCCCCOC 34a_100000213112_100000755781 [0,0,0,0,0,0|4,0,0]=4 1715 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [0,0,0,0,0,0|2,0,1]=3 1716 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [0,0,0,0,0,0|2,0,1]=3 1717 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [0,0,0,0,0,0|2,0,1]=3 1718 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [0,0,0,0,0,0|2,0,1]=3 1719 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [0,0,0,0,0,0|2,0,1]=3 1720 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [0,0,0,0,0,0|1,0,2]=3 1721 B11R0.3 COCCCCCCNCCF 34a_100000724931_100011998445 [0,0,0,0,0,0|3,0,1]=4 1722 B11R0.3 COCCCCCCNCCO 2230a_100016997473_100011998445 [0,0,0,0,0,0|2,0,2]=4 1723 B11R0.3 COCCCCCCNCCO 34a_100016990907_100011998445 [0,0,0,0,0,0|2,0,2]=4 1724 B11R0.3 COCCCCCCOCC#N 7a_200012092642_100011215382 [0,0,0,0,0,0|3,0,1]=4 1725 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [0,0,0,0,0,0|2,0,0]=2 1726 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [0,0,0,0,0,0|2,0,0]=2 1727 B11R0.3 COCCCCCCOCCBr 34a_100000211926_100011998445 [0,0,0,0,0,0|3,0,1]=4 1728 B11R0.3 COCCCCCCOCCF 34a_200012092642_100011217306 [0,0,0,0,0,0|3,0,1]=4 1729 B11R0.3 COCCCCCCOCCF 7a_200012092642_100011217306 [0,0,0,0,0,0|3,0,1]=4 1730 B11R0.3 COCCCCCCOCCN 34a_100000210304_100011998445 [0,0,0,0,0,0|3,0,1]=4 1731 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [0,0,0,0,0,0|2,0,2]=4 1732 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [0,0,0,0,0,0|2,0,2]=4 1733 B11R0.3 COCCCCCCOCSC 34a_200012092642_100011218213 [0,0,0,0,0,0|4,0,0]=4 1734 B11R0.3 COCCCCCCSCC#N 62a_100011215382_100011998445 [0,0,0,0,0,0|3,0,1]=4 1735 B11R0.3 COCCCCCCSCC#N 62a_100011998445_100011215382 [0,0,0,0,0,0|3,0,1]=4 1736 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [0,0,0,0,0,0|2,0,0]=2 1737 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [0,0,0,0,0,0|2,0,0]=2 1738 B11R0.3 COCCCCCCSCCF 62a_100011217306_100011998445 [0,0,0,0,0,0|3,0,1]=4 1739 B11R0.3 COCCCCCCSCCF 62a_100011998445_100011217306 [0,0,0,0,0,0|3,0,1]=4 1740 B11R0.3 COCCCCCCSCCO 62a_100000211926_100011998445 [0,0,0,0,0,0|2,0,2]=4 1741 B11R0.3 COCCCCCCSCCO 62a_100011998445_100000211926 [0,0,0,0,0,0|2,0,2]=4 1742 B11R0.3 COCCCCCCSCOC 62a_100000766300_100011998445 [0,0,0,0,0,0|4,0,0]=4 1743 B11R0.3 COCCCCCCSCOC 62a_100011998445_100000766300 [0,0,0,0,0,0|4,0,0]=4 1744 B11R0.3 COCCCCCCSCSC 62a_100011218213_100011998445 [0,0,0,0,0,0|4,0,0]=4 1745 B11R0.3 COCCCCCCSCSC 62a_100011998445_100011218213 [0,0,0,0,0,0|4,0,0]=4 1746 B11R0.3 COCCCCCNCCC#N 2230a_100000747528_100011215226 [0,0,0,0,0,0|3,0,1]=4 1747 B11R0.3 COCCCCCNCCCF 2230a_100000747528_100011934791 [0,0,0,0,0,0|3,0,1]=4 1748 B11R0.3 COCCCCCNCCCF 34a_100000747528_100011934791 [0,0,0,0,0,0|3,0,1]=4 1749 B11R0.3 COCCCCCNCCCO 2230a_100000747528_100000230001 [0,0,0,0,0,0|2,0,2]=4 1750 B11R0.3 COCCCCCNCCCO 34a_100000747528_100000230001 [0,0,0,0,0,0|2,0,2]=4 1751 B11R0.3 COCCCCCNCCOC 2230a_100000747528_100011201679 [0,0,0,0,0,0|4,0,0]=4 1752 B11R0.3 COCCCCCNCCOC 34a_100000747528_100011201679 [0,0,0,0,0,0|4,0,0]=4 1753 B11R0.3 COCCCCCNCCSC 2230a_100000747528_100000751147 [0,0,0,0,0,0|4,0,0]=4 1754 B11R0.3 COCCCCCNCCSC 34a_100000747528_100000212216 [0,0,0,0,0,0|4,0,0]=4 1755 B11R0.3 COCCCCNCCCCO 2230a_100000750430_100000730899 [0,0,0,0,0,0|2,0,2]=4 1756 B11R0.3 COCCCCNCCCCO 34a_100000750430_100000755781 [0,0,0,0,0,0|2,0,2]=4 1757 B11R0.3 COCCCCNCCCOC 34a_100150723488_100000755781 [0,0,0,0,0,0|4,0,0]=4 1758 B11R0.3 COCCCCNCCCSC 2230a_100000749238_100000730899 [0,0,0,0,0,0|4,0,0]=4 1759 B11R0.3 COCCCCOCCCCBr 34a_100011216708_100000755781 [0,0,0,0,0,0|3,0,1]=4 1760 B11R0.3 COCCCCOCCCCCl 34a_100000210776_100000755781 [0,0,0,0,0,0|3,0,1]=4 1761 B11R0.3 COCCCCOCCCCCl 7a_100000210776_100000730899 [0,0,0,0,0,0|3,0,1]=4 1762 B11R0.3 COCCCCOCCCCF 34a_100000740925_100000729493 [0,0,0,0,0,0|3,0,1]=4 1763 B11R0.3 COCCCCOCCCCF 34a_100011995726_100000755781 [0,0,0,0,0,0|3,0,1]=4 1764 B11R0.3 COCCCCOCCCCF 7a_100011995726_100000730899 [0,0,0,0,0,0|3,0,1]=4 1765 B11R0.3 COCCCCOCCCCI 34a_200012148704_100000755781 [0,0,0,0,0,0|3,0,1]=4 1766 B11R0.3 COCCCCOCCCCN 34a_100000750430_100000755781 [0,0,0,0,0,0|3,0,1]=4 1767 B11R0.3 COCCCCOCCCCO 34a_100000740925_100011216708 [0,0,0,0,0,0|2,0,2]=4 1768 B11R0.3 COCCCCOCCCOC 34a_100000740835_100000755781 [0,0,0,0,0,0|4,0,0]=4 1769 B11R0.3 COCCCCOCCCOC 34a_100000740925_100000740836 [0,0,0,0,0,0|4,0,0]=4 1770 B11R0.3 COCCCCOCCCSC 34a_100000690336_100000755781 [0,0,0,0,0,0|4,0,0]=4 1771 B11R0.3 COCCCCOCCCSC 7a_100000690336_100000730899 [0,0,0,0,0,0|4,0,0]=4 1772 B11R0.3 COCCCCSCCCC#N 62a_100000687738_100000730899 [0,0,0,0,0,0|3,0,1]=4 1773 B11R0.3 COCCCCSCCCC#N 62a_100000730899_100000687738 [0,0,0,0,0,0|3,0,1]=4 1774 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [0,0,0,0,0,0|2,0,0]=2 1775 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [0,0,0,0,0,0|2,0,0]=2 1776 B11R0.3 COCCCCSCCCCF 62a_100000729493_100000730899 [0,0,0,0,0,0|3,0,1]=4 1777 B11R0.3 COCCCCSCCCCF 62a_100000730899_100000729493 [0,0,0,0,0,0|3,0,1]=4 1778 B11R0.3 COCCCCSCCCCO 62a_100000210776_100000730899 [0,0,0,0,0,0|2,0,2]=4 1779 B11R0.3 COCCCCSCCCCO 62a_100000730899_100000210776 [0,0,0,0,0,0|2,0,2]=4 1780 B11R0.3 COCCCCSCCCOC 62a_100000709357_100000730899 [0,0,0,0,0,0|4,0,0]=4 1781 B11R0.3 COCCCCSCCCOC 62a_100000730899_100000709357 [0,0,0,0,0,0|4,0,0]=4 1782 B11R0.3 COCCCNCCCCCF 34a_100150723488_100000729378 [0,0,0,0,0,0|3,0,1]=4 1783 B11R0.3 COCCCNCCCCCO 2230a_100000762737_100000740836 [0,0,0,0,0,0|2,0,2]=4 1784 B11R0.3 COCCCNCCCCCO 34a_100000762737_100000740836 [0,0,0,0,0,0|2,0,2]=4 1785 B11R0.3 COCCCNCCCCCO 34a_100150723488_100000746330 [0,0,0,0,0,0|2,0,2]=4 1786 B11R0.3 COCCCOCCCCCBr 34a_100000746331_100000740836 [0,0,0,0,0,0|3,0,1]=4 1787 B11R0.3 COCCCOCCCCCBr 7a_100000746331_100000740836 [0,0,0,0,0,0|3,0,1]=4 1788 B11R0.3 COCCCOCCCCCCl 34a_100000746330_100000740836 [0,0,0,0,0,0|3,0,1]=4 1789 B11R0.3 COCCCOCCCCCCl 7a_100000746330_100000740836 [0,0,0,0,0,0|3,0,1]=4 1790 B11R0.3 COCCCOCCCCCF 34a_100000740835_100000729378 [0,0,0,0,0,0|3,0,1]=4 1791 B11R0.3 COCCCOCCCCCI 34a_200012148887_100000740836 [0,0,0,0,0,0|3,0,1]=4 1792 B11R0.3 COCCCOCCCCCI 7a_200012148887_100000740836 [0,0,0,0,0,0|3,0,1]=4 1793 B11R0.3 COCCCOCCCCCN 34a_100000762737_100000740836 [0,0,0,0,0,0|3,0,1]=4 1794 B11R0.3 COCCCOCCCCCO 34a_100000740835_100000746330 [0,0,0,0,0,0|2,0,2]=4 1795 B11R0.3 COCCCOCCCCSC 34a_100011217163_100000740836 [0,0,0,0,0,0|4,0,0]=4 1796 B11R0.3 COCCCOCCCCSC 7a_100011217163_100000740836 [0,0,0,0,0,0|4,0,0]=4 1797 B11R0.3 COCCCSCCCCC#N 62a_100000709357_100000211819 [0,0,0,0,0,0|3,0,1]=4 1798 B11R0.3 COCCCSCCCCC#N 62a_100011219923_100000709357 [0,0,0,0,0,0|3,0,1]=4 1799 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [0,0,0,0,0,0|2,0,0]=2 1800 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [0,0,0,0,0,0|2,0,0]=2 1801 B11R0.3 COCCCSCCCCCF 62a_100000709357_100000729378 [0,0,0,0,0,0|3,0,1]=4 1802 B11R0.3 COCCCSCCCCCF 62a_100000729378_100000709357 [0,0,0,0,0,0|3,0,1]=4 1803 B11R0.3 COCCCSCCCCCO 62a_100000709357_100000746330 [0,0,0,0,0,0|2,0,2]=4 1804 B11R0.3 COCCCSCCCCCO 62a_100000746330_100000709357 [0,0,0,0,0,0|2,0,2]=4 1805 B11R0.3 COCCNCCCCCC#N 2230a_100000209980_100009813376 [0,0,0,0,0,0|3,0,1]=4 1806 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [0,0,0,0,0,0|2,0,0]=2 1807 B11R0.3 COCCNCCCCCCF 2230a_100000209980_100015922095 [0,0,0,0,0,0|3,0,1]=4 1808 B11R0.3 COCCNCCCCCCO 2230a_100000209980_100000766143 [0,0,0,0,0,0|2,0,2]=4 1809 B11R0.3 COCCNCCCCCCO 2230a_100000686447_100011201679 [0,0,0,0,0,0|2,0,2]=4 1810 B11R0.3 COCCNCCCCCCO 34a_100000686447_100011201679 [0,0,0,0,0,0|2,0,2]=4 1811 B11R0.3 COCCOCCCCCCBr 34a_100011215345_100011201679 [0,0,0,0,0,0|3,0,1]=4 1812 B11R0.3 COCCOCCCCCCBr 7a_100011215345_100000233755 [0,0,0,0,0,0|3,0,1]=4 1813 B11R0.3 COCCOCCCCCCCl 34a_100000766143_100011201679 [0,0,0,0,0,0|3,0,1]=4 1814 B11R0.3 COCCOCCCCCCCl 7a_100000766143_100000233755 [0,0,0,0,0,0|3,0,1]=4 1815 B11R0.3 COCCOCCCCCCF 34a_100000210237_100015922095 [0,0,0,0,0,0|3,0,1]=4 1816 B11R0.3 COCCOCCCCCCF 34a_100000732779_100011201679 [0,0,0,0,0,0|3,0,1]=4 1817 B11R0.3 COCCOCCCCCCF 7a_100000732779_100000233755 [0,0,0,0,0,0|3,0,1]=4 1818 B11R0.3 COCCOCCCCCCN 34a_100000686447_100011201679 [0,0,0,0,0,0|3,0,1]=4 1819 B11R0.3 COCCOCCCCCCO 34a_100000210237_100000766143 [0,0,0,0,0,0|2,0,2]=4 1820 B11R0.3 COCCOCCCNCC=O 2230a_100000206027_200015260668 [0,0,0,0,0,0|3,0,0]=3 1821 B11R0.3 COCCOCCCNCC=O 34a_100000206027_200009817547 [0,0,0,0,0,0|3,0,0]=3 1822 B11R0.3 COCCOCCCSCC=O 62a_100011216529_200015260668 [0,0,0,0,0,0|3,0,0]=3 1823 B11R0.3 COCCOCCCSCC=O 62a_200015260668_100011216529 [0,0,0,0,0,0|3,0,0]=3 1824 B11R0.3 COCCOCSCCCC=O 62a_100000231047_200011292268 [0,0,0,0,0,0|3,0,0]=3 1825 B11R0.3 COCCOCSCCCC=O 62a_200011292268_100000231047 [0,0,0,0,0,0|3,0,0]=3 1826 B11R0.3 COCCSCCCCCC#N 62a_100000233755_100009813376 [0,0,0,0,0,0|3,0,1]=4 1827 B11R0.3 COCCSCCCCCC#N 62a_100009813376_100000233755 [0,0,0,0,0,0|3,0,1]=4 1828 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [0,0,0,0,0,0|2,0,0]=2 1829 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [0,0,0,0,0,0|2,0,0]=2 1830 B11R0.3 COCCSCCCCCCF 62a_100000233755_100015922095 [0,0,0,0,0,0|3,0,1]=4 1831 B11R0.3 COCCSCCCCCCF 62a_100015922095_100000233755 [0,0,0,0,0,0|3,0,1]=4 1832 B11R0.3 COCCSCCCCCCO 62a_100000233755_100000766143 [0,0,0,0,0,0|2,0,2]=4 1833 B11R0.3 COCCSCCCCCCO 62a_100000766143_100000233755 [0,0,0,0,0,0|2,0,2]=4 1834 B11R0.3 COCNCCCCCCCO 2230a_100011996573_100000766300 [0,0,0,0,0,0|2,0,2]=4 1835 B11R0.3 COCSCCCCCCC#N 62a_100000766300_100009813337 [0,0,0,0,0,0|3,0,1]=4 1836 B11R0.3 COCSCCCCCCC#N 62a_100009813337_100000766300 [0,0,0,0,0,0|3,0,1]=4 1837 B11R0.3 COCSCCCCCCCO 62a_100000760002_100000766300 [0,0,0,0,0,0|2,0,2]=4 1838 B11R0.3 COCSCCCCCCCO 62a_100000766300_100000760002 [0,0,0,0,0,0|2,0,2]=4 1839 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [0,0,0,0,0,0|1,0,2]=3 1840 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [0,0,0,0,0,0|1,0,2]=3 1841 B11R0.3 CSCCCCOCCCC#N 7a_100011217163_100000687738 [0,0,0,0,0,0|3,0,1]=4 1842 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [0,0,0,0,0,0|2,0,0]=2 1843 B11R0.3 CSCCCCOCCCCF 34a_100011217163_100000729493 [0,0,0,0,0,0|3,0,1]=4 1844 B11R0.3 CSCCCCOCCCCF 7a_100011217163_100000729493 [0,0,0,0,0,0|3,0,1]=4 1845 B11R0.3 CSCCCCOCCCCO 34a_100011217163_100011216708 [0,0,0,0,0,0|2,0,2]=4 1846 B11R0.3 CSCCCCOCCCCO 7a_100011217163_100000210776 [0,0,0,0,0,0|2,0,2]=4 1847 B11R0.3 CSCCCNCCCCC#N 2230a_100000749238_100000211819 [0,0,0,0,0,0|3,0,1]=4 1848 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [0,0,0,0,0,0|2,0,0]=2 1849 B11R0.3 CSCCCNCCCCCF 2230a_100000749238_100000729378 [0,0,0,0,0,0|3,0,1]=4 1850 B11R0.3 CSCCCNCCCCCO 2230a_100000749238_100000746330 [0,0,0,0,0,0|2,0,2]=4 1851 B11R0.3 CSCCCOCCCCC#N 7a_100000690336_100000211819 [0,0,0,0,0,0|3,0,1]=4 1852 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [0,0,0,0,0,0|2,0,0]=2 1853 B11R0.3 CSCCCOCCCCCF 34a_100000690336_100000729378 [0,0,0,0,0,0|3,0,1]=4 1854 B11R0.3 CSCCCOCCCCCF 7a_100000690336_100000729378 [0,0,0,0,0,0|3,0,1]=4 1855 B11R0.3 CSCCCOCCCCCO 34a_100000690336_100000746330 [0,0,0,0,0,0|2,0,2]=4 1856 B11R0.3 CSCCCOCCCCCO 7a_100000690336_100000746330 [0,0,0,0,0,0|2,0,2]=4 1857 B11R0.3 CSCCNCCCCCC#N 2230a_100020590264_100009813376 [0,0,0,0,0,0|3,0,1]=4 1858 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [0,0,0,0,0,0|2,0,0]=2 1859 B11R0.3 CSCCNCCCCCCF 2230a_100020590264_100015922095 [0,0,0,0,0,0|3,0,1]=4 1860 B11R0.3 CSCCNCCCCCCO 2230a_100000686447_100000751147 [0,0,0,0,0,0|2,0,2]=4 1861 B11R0.3 CSCCNCCCCCCO 2230a_100020590264_100000766143 [0,0,0,0,0,0|2,0,2]=4 1862 B11R0.3 CSCCNCCCCCCO 34a_100000686447_100000212216 [0,0,0,0,0,0|2,0,2]=4 1863 B11R0.3 CSCCOCCCCCC#N 7a_100000230434_100009813376 [0,0,0,0,0,0|3,0,1]=4 1864 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [0,0,0,0,0,0|2,0,0]=2 1865 B11R0.3 CSCCOCCCCCCBr 34a_100011215345_100000212216 [0,0,0,0,0,0|3,0,1]=4 1866 B11R0.3 CSCCOCCCCCCBr 7a_100011215345_100000212216 [0,0,0,0,0,0|3,0,1]=4 1867 B11R0.3 CSCCOCCCCCCCl 34a_100000766143_100000212216 [0,0,0,0,0,0|3,0,1]=4 1868 B11R0.3 CSCCOCCCCCCCl 7a_100000766143_100000212216 [0,0,0,0,0,0|3,0,1]=4 1869 B11R0.3 CSCCOCCCCCCF 34a_100000230434_100015922095 [0,0,0,0,0,0|3,0,1]=4 1870 B11R0.3 CSCCOCCCCCCF 34a_100000732779_100000212216 [0,0,0,0,0,0|3,0,1]=4 1871 B11R0.3 CSCCOCCCCCCF 7a_100000230434_100015922095 [0,0,0,0,0,0|3,0,1]=4 1872 B11R0.3 CSCCOCCCCCCF 7a_100000732779_100000212216 [0,0,0,0,0,0|3,0,1]=4 1873 B11R0.3 CSCCOCCCCCCN 34a_100000686447_100000212216 [0,0,0,0,0,0|3,0,1]=4 1874 B11R0.3 CSCCOCCCCCCO 34a_100000230434_100000766143 [0,0,0,0,0,0|2,0,2]=4 1875 B11R0.3 CSCCOCCCCCCO 7a_100000230434_100000766143 [0,0,0,0,0,0|2,0,2]=4 1876 B11R0.3 CSCCSCCCCCC#N 62a_100000212216_100009813376 [0,0,0,0,0,0|3,0,1]=4 1877 B11R0.3 CSCCSCCCCCC#N 62a_100009813376_100000751147 [0,0,0,0,0,0|3,0,1]=4 1878 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [0,0,0,0,0,0|2,0,0]=2 1879 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [0,0,0,0,0,0|2,0,0]=2 1880 B11R0.3 CSCCSCCCCCCF 62a_100000212216_100015922095 [0,0,0,0,0,0|3,0,1]=4 1881 B11R0.3 CSCCSCCCCCCF 62a_100015922095_100000751147 [0,0,0,0,0,0|3,0,1]=4 1882 B11R0.3 CSCCSCCCCCCO 62a_100000212216_100000766143 [0,0,0,0,0,0|2,0,2]=4 1883 B11R0.3 CSCCSCCCCCCO 62a_100000766143_100000751147 [0,0,0,0,0,0|2,0,2]=4 1884 B11R0.3 CSCNCCCCCCCO 2230a_100011996573_100011218213 [0,0,0,0,0,0|2,0,2]=4 1885 B11R0.3 CSCNCCCCCCCO 34a_100011996573_100011218213 [0,0,0,0,0,0|2,0,2]=4 1886 B11R0.3 CSCOCCCCCCCBr 34a_100000760002_100011218213 [0,0,0,0,0,0|3,0,1]=4 1887 B11R0.3 CSCOCCCCCCCN 34a_100011996573_100011218213 [0,0,0,0,0,0|3,0,1]=4 1888 B11R0.3 CSCSCCCCCCC#N 62a_100009813337_100011218213 [0,0,0,0,0,0|3,0,1]=4 1889 B11R0.3 CSCSCCCCCCC#N 62a_100011218213_100009813337 [0,0,0,0,0,0|3,0,1]=4 1890 B11R0.3 CSCSCCCCCCCO 62a_100000760002_100011218213 [0,0,0,0,0,0|2,0,2]=4 1891 B11R0.3 CSCSCCCCCCCO 62a_100011218213_100000760002 [0,0,0,0,0,0|2,0,2]=4 1892 B11R0.3 FCCCCCCNCCCF 2230a_100015189416_100015922095 [0,0,0,0,0,0|3,0,1]=4 1893 B11R0.3 FCCCCCCNCCCF 34a_100015189416_100015922095 [0,0,0,0,0,0|3,0,1]=4 1894 B11R0.3 FCCCCCCOCCCBr 34a_100011217188_100015922095 [0,0,0,0,0,0|3,0,1]=4 1895 B11R0.3 FCCCCCCOCCCCl 34a_100000230001_100015922095 [0,0,0,0,0,0|3,0,1]=4 1896 B11R0.3 FCCCCCCOCCCF 34a_100000732779_100011934791 [0,0,0,0,0,0|3,0,1]=4 1897 B11R0.3 FCCCCCCOCCCF 34a_100000759539_100015922095 [0,0,0,0,0,0|3,0,1]=4 1898 B11R0.3 FCCCCCCOCCCF 7a_100000732779_100011934791 [0,0,0,0,0,0|3,0,1]=4 1899 B11R0.3 FCCCCCCSCCCF 62a_100011934791_100015922095 [0,0,0,0,0,0|3,0,1]=4 1900 B11R0.3 FCCCCCCSCCCF 62a_100015922095_100011934791 [0,0,0,0,0,0|3,0,1]=4 1901 B11R0.3 FCCCCCOCCCCBr 34a_100011216708_100000729378 [0,0,0,0,0,0|3,0,1]=4 1902 B11R0.3 FCCCCCOCCCCCl 34a_100000210776_100000729378 [0,0,0,0,0,0|3,0,1]=4 1903 B11R0.3 FCCCCCOCCCCCl 7a_100000210776_100000729378 [0,0,0,0,0,0|3,0,1]=4 1904 B11R0.3 FCCCCCOCCCCF 34a_100011995726_100000729378 [0,0,0,0,0,0|3,0,1]=4 1905 B11R0.3 FCCCCCOCCCCF 7a_100011995726_100000729378 [0,0,0,0,0,0|3,0,1]=4 1906 B11R0.3 FCCCCCOCCCCI 34a_200012148704_100000729378 [0,0,0,0,0,0|3,0,1]=4 1907 B11R0.3 FCCCCCSCCCCF 62a_100000729378_100000729493 [0,0,0,0,0,0|3,0,1]=4 1908 B11R0.3 FCCCCCSCCCCF 62a_100000729493_100000729378 [0,0,0,0,0,0|3,0,1]=4 1909 B11R0.3 FCCCCOCCCCCBr 34a_100000746331_100000729493 [0,0,0,0,0,0|3,0,1]=4 1910 B11R0.3 FCCCCOCCCCCBr 7a_100000746331_100000729493 [0,0,0,0,0,0|3,0,1]=4 1911 B11R0.3 FCCCCOCCCCCCl 34a_100000746330_100000729493 [0,0,0,0,0,0|3,0,1]=4 1912 B11R0.3 FCCCCOCCCCCCl 7a_100000746330_100000729493 [0,0,0,0,0,0|3,0,1]=4 1913 B11R0.3 FCCCCOCCCCCI 34a_200012148887_100000729493 [0,0,0,0,0,0|3,0,1]=4 1914 B11R0.3 FCCCCOCCCCCI 7a_200012148887_100000729493 [0,0,0,0,0,0|3,0,1]=4 1915 B11R0.3 FCCCOCCCCCCBr 34a_100011215345_100011934791 [0,0,0,0,0,0|3,0,1]=4 1916 B11R0.3 FCCCOCCCCCCBr 7a_100011215345_100011934791 [0,0,0,0,0,0|3,0,1]=4 1917 B11R0.3 FCCCOCCCCCCCl 34a_100000766143_100011934791 [0,0,0,0,0,0|3,0,1]=4 1918 B11R0.3 FCCCOCCCCCCCl 7a_100000766143_100011934791 [0,0,0,0,0,0|3,0,1]=4 1919 B11R0.3 FCCOCCCCCCCBr 34a_100000760002_100011217306 [0,0,0,0,0,0|3,0,1]=4 1920 B11R0.3 FCCOCCCCCCCBr 7a_100000760002_100011217306 [0,0,0,0,0,0|3,0,1]=4 1921 B11R0.3 FCOCCCCCCCCBr 34a_100009813846_100015361967 [0,0,0,0,0,0|3,0,1]=4 1922 B11R0.3 FCOCCCCCCCCBr 7a_100009813846_100015361967 [0,0,0,0,0,0|3,0,1]=4 1923 B11R0.3 FCOCCCCCCCCCl 34a_100000033203_100015361967 [0,0,0,0,0,0|3,0,1]=4 1924 B11R0.3 FCOCCCCCCCCCl 7a_100000033203_100015361967 [0,0,0,0,0,0|3,0,1]=4 1925 B11R0.3 N#CCCCCCCNCCO 2230a_100016997473_100009813337 [0,0,0,0,0,0|3,0,1]=4 1926 B11R0.3 N#CCCCCCCSCC=O 62a_100009813337_200015260668 [0,0,0,0,0,0|2,0,1]=3 1927 B11R0.3 N#CCCCCCCSCC=O 62a_200015260668_100009813337 [0,0,0,0,0,0|2,0,1]=3 1928 B11R0.3 N#CCCCCCCSCCF 62a_100009813337_100011217306 [0,0,0,0,0,0|3,0,1]=4 1929 B11R0.3 N#CCCCCCCSCCF 62a_100011217306_100009813337 [0,0,0,0,0,0|3,0,1]=4 1930 B11R0.3 N#CCCCCCCSCCO 62a_100000211926_100009813337 [0,0,0,0,0,0|3,0,1]=4 1931 B11R0.3 N#CCCCCCCSCCO 62a_100009813337_100000211926 [0,0,0,0,0,0|3,0,1]=4 1932 B11R0.3 N#CCCCCCNCCCF 2230a_100015189416_100009813376 [0,0,0,0,0,0|3,0,1]=4 1933 B11R0.3 N#CCCCCCSCCCF 62a_100009813376_100011934791 [0,0,0,0,0,0|3,0,1]=4 1934 B11R0.3 N#CCCCCCSCCCF 62a_100011934791_100009813376 [0,0,0,0,0,0|3,0,1]=4 1935 B11R0.3 N#CCCCCCSCCCO 62a_100009813376_100011215043 [0,0,0,0,0,0|3,0,1]=4 1936 B11R0.3 N#CCCCCCSCCCO 62a_100011215043_100009813376 [0,0,0,0,0,0|3,0,1]=4 1937 B11R0.3 N#CCCCCNCCCCO 2230a_100000750430_100000211819 [0,0,0,0,0,0|3,0,1]=4 1938 B11R0.3 N#CCCCCOCCCCCl 7a_100000210776_100000211819 [0,0,0,0,0,0|3,0,1]=4 1939 B11R0.3 N#CCCCCOCCCCF 7a_100011995726_100000211819 [0,0,0,0,0,0|3,0,1]=4 1940 B11R0.3 N#CCCCCSCCCC=O 62a_100011219923_200011292268 [0,0,0,0,0,0|2,0,1]=3 1941 B11R0.3 N#CCCCCSCCCC=O 62a_200011292268_100000211819 [0,0,0,0,0,0|2,0,1]=3 1942 B11R0.3 N#CCCCCSCCCCF 62a_100000729493_100000211819 [0,0,0,0,0,0|3,0,1]=4 1943 B11R0.3 N#CCCCCSCCCCF 62a_100011219923_100000729493 [0,0,0,0,0,0|3,0,1]=4 1944 B11R0.3 N#CCCCCSCCCCO 62a_100000210776_100000211819 [0,0,0,0,0,0|3,0,1]=4 1945 B11R0.3 N#CCCCCSCCCCO 62a_100011219923_100000210776 [0,0,0,0,0,0|3,0,1]=4 1946 B11R0.3 N#CCCCNCCCCCO 2230a_100000762737_100000687738 [0,0,0,0,0,0|3,0,1]=4 1947 B11R0.3 N#CCCCOCCCCCBr 7a_100000746331_100000687738 [0,0,0,0,0,0|3,0,1]=4 1948 B11R0.3 N#CCCCOCCCCCCl 7a_100000746330_100000687738 [0,0,0,0,0,0|3,0,1]=4 1949 B11R0.3 N#CCCCOCCCCCI 7a_200012148887_100000687738 [0,0,0,0,0,0|3,0,1]=4 1950 B11R0.3 N#CCCCSCCCCC=O 62a_100000139335_100000687738 [0,0,0,0,0,0|2,0,1]=3 1951 B11R0.3 N#CCCCSCCCCC=O 62a_100000687738_100000139335 [0,0,0,0,0,0|2,0,1]=3 1952 B11R0.3 N#CCCCSCCCCCF 62a_100000687738_100000729378 [0,0,0,0,0,0|3,0,1]=4 1953 B11R0.3 N#CCCCSCCCCCF 62a_100000729378_100000687738 [0,0,0,0,0,0|3,0,1]=4 1954 B11R0.3 N#CCCCSCCCCCO 62a_100000687738_100000746330 [0,0,0,0,0,0|3,0,1]=4 1955 B11R0.3 N#CCCCSCCCCCO 62a_100000746330_100000687738 [0,0,0,0,0,0|3,0,1]=4 1956 B11R0.3 N#CCCNCCCCCCO 2230a_100000686447_100011215226 [0,0,0,0,0,0|3,0,1]=4 1957 B11R0.3 N#CCCOCCCCCCBr 7a_100011215345_100000184422 [0,0,0,0,0,0|3,0,1]=4 1958 B11R0.3 N#CCCOCCCCCCCl 7a_100000766143_100000184422 [0,0,0,0,0,0|3,0,1]=4 1959 B11R0.3 N#CCCOCCCCCCF 7a_100000732779_100000184422 [0,0,0,0,0,0|3,0,1]=4 1960 B11R0.3 N#CCCSCCCCCC=O 62a_100000139337_100011215226 [0,0,0,0,0,0|2,0,1]=3 1961 B11R0.3 N#CCCSCCCCCC=O 62a_100011215226_100000139337 [0,0,0,0,0,0|2,0,1]=3 1962 B11R0.3 N#CCCSCCCCCCF 62a_100011215226_100015922095 [0,0,0,0,0,0|3,0,1]=4 1963 B11R0.3 N#CCCSCCCCCCF 62a_100015922095_100011215226 [0,0,0,0,0,0|3,0,1]=4 1964 B11R0.3 N#CCCSCCCCCCO 62a_100000766143_100011215226 [0,0,0,0,0,0|3,0,1]=4 1965 B11R0.3 N#CCCSCCCCCCO 62a_100011215226_100000766143 [0,0,0,0,0,0|3,0,1]=4 1966 B11R0.3 N#CCNCCCCCCCO 2230a_100011996573_100011215382 [0,0,0,0,0,0|3,0,1]=4 1967 B11R0.3 N#CCOCCCCCCCBr 7a_100000760002_100011215382 [0,0,0,0,0,0|3,0,1]=4 1968 B11R0.3 N#CCOCCSCCCC=O 62a_200000047693_200011292268 [0,0,0,0,0,0|3,0,1]=4 1969 B11R0.3 N#CCOCCSCCCC=O 62a_200011292268_200000047693 [0,0,0,0,0,0|3,0,1]=4 1970 B11R0.3 N#CCSCCCCCCCO 62a_100000760002_100011215382 [0,0,0,0,0,0|3,0,1]=4 1971 B11R0.3 N#CCSCCCCCCCO 62a_100011215382_100000760002 [0,0,0,0,0,0|3,0,1]=4 1972 B11R0.3 N#CSCCSCCCCC=O 62a_100000034367_100000139335 [0,0,0,0,0,0|3,0,1]=4 1973 B11R0.3 N#CSCCSCCCCC=O 62a_100000139335_100000034367 [0,0,0,0,0,0|3,0,1]=4 1974 B11R0.3 N#CSCSCCCCCC=O 62a_100000139337_100000211825 [0,0,0,0,0,0|3,0,1]=4 1975 B11R0.3 N#CSCSCCCCCC=O 62a_100000211825_100000139337 [0,0,0,0,0,0|3,0,1]=4 1976 B11R0.3 NCCCCCCCCOCF 34a_102515433106_100015361967 [0,0,0,0,0,0|3,0,1]=4 1977 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [0,0,0,0,0,0|2,0,0]=2 1978 B11R0.3 NCCCCCCCOCCF 34a_100011996573_100011217306 [0,0,0,0,0,0|3,0,1]=4 1979 B11R0.3 NCCCCCCCOCCO 34a_100011996573_100000211926 [0,0,0,0,0,0|2,0,2]=4 1980 B11R0.3 NCCCCCCOCCCF 34a_100000686447_100011934791 [0,0,0,0,0,0|3,0,1]=4 1981 B11R0.3 NCCCCCCOCCCO 34a_100000686447_100000230001 [0,0,0,0,0,0|2,0,2]=4 1982 B11R0.3 NCCCCCOCCCCF 34a_100000762737_100000729493 [0,0,0,0,0,0|3,0,1]=4 1983 B11R0.3 NCCCCCOCCCCO 34a_100000762737_100011216708 [0,0,0,0,0,0|2,0,2]=4 1984 B11R0.3 NCCCCOCCCCCF 34a_100000750430_100000729378 [0,0,0,0,0,0|3,0,1]=4 1985 B11R0.3 NCCCCOCCCCCO 34a_100000750430_100000746330 [0,0,0,0,0,0|2,0,2]=4 1986 B11R0.3 NCCCOCCCCCCF 34a_100000182051_100015922095 [0,0,0,0,0,0|3,0,1]=4 1987 B11R0.3 NCCCOCCCCCCO 34a_100000182051_100000766143 [0,0,0,0,0,0|2,0,2]=4 1988 B11R0.3 NCCCOCCCOCC=O 34a_100011310245_200009817547 [0,0,0,0,0,0|3,0,0]=3 1989 B11R0.3 NCCOCCCCCCCO 34a_100000210304_100000760002 [0,0,0,0,0,0|2,0,2]=4 1990 B11R0.3 NOCCOCCCCCCF 34a_100000700252_100015922095 [0,0,0,0,0,0|4,0,0]=4 1991 B11R0.3 NOCCOCCCCCCO 34a_100000700252_100000766143 [0,0,0,0,0,0|4,0,0]=4 1992 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [0,0,0,0,0,0|2,0,0]=2 1993 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [0,0,0,0,0,0|2,0,0]=2 1994 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [0,0,0,0,0,0|2,0,0]=2 1995 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [0,0,0,0,0,0|2,0,0]=2 1996 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [0,0,0,0,0,0|2,0,0]=2 1997 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [0,0,0,0,0,0|2,0,0]=2 1998 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [0,0,0,0,0,0|2,0,0]=2 1999 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [0,0,0,0,0,0|2,0,0]=2 2000 B11R0.3 O=CCCCCSCC#CCO 62a_100000139335_200000047223 [0,0,0,0,0,0|2,0,2]=4 2001 B11R0.3 O=CCCCCSCC#CCO 62a_200000047223_100000139335 [0,0,0,0,0,0|2,0,2]=4 2002 B11R0.3 O=CCCCCSCCCC=O 62a_100000139335_200011292268 [0,0,0,0,0,0|2,0,1]=3 2003 B11R0.3 O=CCCCCSCCCC=O 62a_200011292268_100000139335 [0,0,0,0,0,0|2,0,1]=3 2004 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [0,0,0,0,0,0|2,0,0]=2 2005 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [0,0,0,0,0,0|2,0,0]=2 2006 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [0,0,0,0,0,0|2,0,0]=2 2007 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [0,0,0,0,0,0|2,0,0]=2 2008 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [0,0,0,0,0,0|2,0,0]=2 2009 B11R0.3 O=CCCCNCCOCCO 2230a_100000211614_200011292268 [0,0,0,0,0,0|3,0,0]=3 2010 B11R0.3 O=CCCCNCCSCCO 2230a_100011219999_200011292268 [0,0,0,0,0,0|3,0,0]=3 2011 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [0,0,0,0,0,0|2,0,0]=2 2012 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [0,0,0,0,0,0|2,0,0]=2 2013 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [0,0,0,0,0,0|2,0,0]=2 2014 B11R0.3 O=CCCCOCCOCCBr 7a_100000692535_200011292268 [0,0,0,0,0,0|3,0,0]=3 2015 B11R0.3 O=CCCCOCCOCCCl 7a_100011215305_200011292268 [0,0,0,0,0,0|3,0,0]=3 2016 B11R0.3 O=CCCCOCCOCCF 7a_200015357709_200011292268 [0,0,0,0,0,0|3,0,0]=3 2017 B11R0.3 O=CCCCOCCOCCI 7a_100012149058_200011292268 [0,0,0,0,0,0|3,0,0]=3 2018 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [0,0,0,0,0,0|2,0,0]=2 2019 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [0,0,0,0,0,0|2,0,0]=2 2020 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [0,0,0,0,0,0|2,0,0]=2 2021 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [0,0,0,0,0,0|2,0,0]=2 2022 B11R0.3 O=CCCCSCCOCCO 62a_100011215305_200011292268 [0,0,0,0,0,0|3,0,0]=3 2023 B11R0.3 O=CCCCSCCOCCO 62a_200011292268_100011215305 [0,0,0,0,0,0|3,0,0]=3 2024 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [0,0,0,0,0,0|2,0,0]=2 2025 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [0,0,0,0,0,0|2,0,0]=2 2026 B11R0.3 O=CCNCCCOCCCO 2230a_100011310245_200015260668 [0,0,0,0,0,0|3,0,0]=3 2027 B11R0.3 O=CCNCCCOCCCO 34a_100011310245_200009817547 [0,0,0,0,0,0|3,0,0]=3 2028 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [0,0,0,0,0,0|2,0,0]=2 2029 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [0,0,0,0,0,0|2,0,0]=2 2030 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [0,0,0,0,0,0|2,0,0]=2 2031 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [0,0,0,0,0,0|2,0,0]=2 2032 B11R0.3 OCCCCCCCCNCF 34a_102515433106_100015361967 [0,0,0,0,0,0|2,0,2]=4 2033 B11R0.3 OCCCCCCCCSCF 62a_100000033203_100015361967 [0,0,0,0,0,0|2,0,2]=4 2034 B11R0.3 OCCCCCCCCSCF 62a_100015361967_100000033203 [0,0,0,0,0,0|2,0,2]=4 2035 B11R0.3 OCCCCCCCNCCF 2230a_100011996573_100011217306 [0,0,0,0,0,0|2,0,2]=4 2036 B11R0.3 OCCCCCCCNCCF 34a_100000724931_100000760002 [0,0,0,0,0,0|2,0,2]=4 2037 B11R0.3 OCCCCCCCNCCF 34a_100011996573_100011217306 [0,0,0,0,0,0|2,0,2]=4 2038 B11R0.3 OCCCCCCCNCCO 2230a_100011996573_100000211926 [0,0,0,0,0,0|2,0,2]=4 2039 B11R0.3 OCCCCCCCNCCO 2230a_100016997473_100000760002 [0,0,0,0,0,0|2,0,2]=4 2040 B11R0.3 OCCCCCCCNCCO 34a_100011996573_100000211926 [0,0,0,0,0,0|2,0,2]=4 2041 B11R0.3 OCCCCCCCNCCO 34a_100016990907_100000760002 [0,0,0,0,0,0|2,0,2]=4 2042 B11R0.3 OCCCCCCCOCCBr 34a_100000211926_100000760002 [0,0,0,0,0,0|2,0,2]=4 2043 B11R0.3 OCCCCCCCSCCF 62a_100000760002_100011217306 [0,0,0,0,0,0|2,0,2]=4 2044 B11R0.3 OCCCCCCCSCCF 62a_100011217306_100000760002 [0,0,0,0,0,0|2,0,2]=4 2045 B11R0.3 OCCCCCCCSCCO 62a_100000211926_100000760002 [0,0,0,0,0,0|2,0,2]=4 2046 B11R0.3 OCCCCCCCSCCO 62a_100000760002_100000211926 [0,0,0,0,0,0|2,0,2]=4 2047 B11R0.3 OCCCCCCNCCCF 2230a_100000686447_100011934791 [0,0,0,0,0,0|2,0,2]=4 2048 B11R0.3 OCCCCCCNCCCF 2230a_100015189416_100000766143 [0,0,0,0,0,0|2,0,2]=4 2049 B11R0.3 OCCCCCCNCCCF 34a_100000686447_100011934791 [0,0,0,0,0,0|2,0,2]=4 2050 B11R0.3 OCCCCCCNCCCF 34a_100015189416_100000766143 [0,0,0,0,0,0|2,0,2]=4 2051 B11R0.3 OCCCCCCNCCCO 2230a_100000686447_100000230001 [0,0,0,0,0,0|2,0,2]=4 2052 B11R0.3 OCCCCCCNCCCO 34a_100000686447_100000230001 [0,0,0,0,0,0|2,0,2]=4 2053 B11R0.3 OCCCCCCOCCCBr 34a_100011217188_100000766143 [0,0,0,0,0,0|2,0,2]=4 2054 B11R0.3 OCCCCCCOCCCCl 34a_100000230001_100000766143 [0,0,0,0,0,0|2,0,2]=4 2055 B11R0.3 OCCCCCCOCCCF 34a_100000759539_100000766143 [0,0,0,0,0,0|2,0,2]=4 2056 B11R0.3 OCCCCCCSCCCF 62a_100000766143_100011934791 [0,0,0,0,0,0|2,0,2]=4 2057 B11R0.3 OCCCCCCSCCCF 62a_100011934791_100000766143 [0,0,0,0,0,0|2,0,2]=4 2058 B11R0.3 OCCCCCCSCCCO 62a_100000766143_100011215043 [0,0,0,0,0,0|2,0,2]=4 2059 B11R0.3 OCCCCCCSCCCO 62a_100011215043_100000766143 [0,0,0,0,0,0|2,0,2]=4 2060 B11R0.3 OCCCCCNCCCCF 2230a_100000762737_100000729493 [0,0,0,0,0,0|2,0,2]=4 2061 B11R0.3 OCCCCCNCCCCF 34a_100000762737_100000729493 [0,0,0,0,0,0|2,0,2]=4 2062 B11R0.3 OCCCCCNCCCCO 2230a_100000750430_100000746330 [0,0,0,0,0,0|2,0,2]=4 2063 B11R0.3 OCCCCCNCCCCO 2230a_100000762737_100000210776 [0,0,0,0,0,0|2,0,2]=4 2064 B11R0.3 OCCCCCNCCCCO 34a_100000750430_100000746330 [0,0,0,0,0,0|2,0,2]=4 2065 B11R0.3 OCCCCCNCCCCO 34a_100000762737_100011216708 [0,0,0,0,0,0|2,0,2]=4 2066 B11R0.3 OCCCCCOCCCCBr 34a_100011216708_100000746330 [0,0,0,0,0,0|2,0,2]=4 2067 B11R0.3 OCCCCCOCCCCCl 34a_100000210776_100000746330 [0,0,0,0,0,0|2,0,2]=4 2068 B11R0.3 OCCCCCOCCCCCl 7a_100000210776_100000746330 [0,0,0,0,0,0|2,0,2]=4 2069 B11R0.3 OCCCCCOCCCCF 34a_100011995726_100000746330 [0,0,0,0,0,0|2,0,2]=4 2070 B11R0.3 OCCCCCOCCCCF 7a_100011995726_100000746330 [0,0,0,0,0,0|2,0,2]=4 2071 B11R0.3 OCCCCCOCCCCI 34a_200012148704_100000746330 [0,0,0,0,0,0|2,0,2]=4 2072 B11R0.3 OCCCCCSCCCCF 62a_100000729493_100000746330 [0,0,0,0,0,0|2,0,2]=4 2073 B11R0.3 OCCCCCSCCCCF 62a_100000746330_100000729493 [0,0,0,0,0,0|2,0,2]=4 2074 B11R0.3 OCCCCCSCCCCO 62a_100000210776_100000746330 [0,0,0,0,0,0|2,0,2]=4 2075 B11R0.3 OCCCCCSCCCCO 62a_100000746330_100000210776 [0,0,0,0,0,0|2,0,2]=4 2076 B11R0.3 OCCCCNCCCCCF 2230a_100000750430_100000729378 [0,0,0,0,0,0|2,0,2]=4 2077 B11R0.3 OCCCCNCCCCCF 34a_100000750430_100000729378 [0,0,0,0,0,0|2,0,2]=4 2078 B11R0.3 OCCCCOCCCCCBr 34a_100000746331_100011216708 [0,0,0,0,0,0|2,0,2]=4 2079 B11R0.3 OCCCCOCCCCCBr 7a_100000746331_100000210776 [0,0,0,0,0,0|2,0,2]=4 2080 B11R0.3 OCCCCOCCCCCCl 34a_100000746330_100011216708 [0,0,0,0,0,0|2,0,2]=4 2081 B11R0.3 OCCCCOCCCCCCl 7a_100000746330_100000210776 [0,0,0,0,0,0|2,0,2]=4 2082 B11R0.3 OCCCCOCCCCCI 34a_200012148887_100011216708 [0,0,0,0,0,0|2,0,2]=4 2083 B11R0.3 OCCCCOCCCCCI 7a_200012148887_100000210776 [0,0,0,0,0,0|2,0,2]=4 2084 B11R0.3 OCCCCSCCCCCF 62a_100000210776_100000729378 [0,0,0,0,0,0|2,0,2]=4 2085 B11R0.3 OCCCCSCCCCCF 62a_100000729378_100000210776 [0,0,0,0,0,0|2,0,2]=4 2086 B11R0.3 OCCCOCCCCCCBr 34a_100011215345_100000230001 [0,0,0,0,0,0|2,0,2]=4 2087 B11R0.3 OCCCOCCCCCCBr 7a_100011215345_100011215043 [0,0,0,0,0,0|2,0,2]=4 2088 B11R0.3 OCCCOCCCCCCCl 34a_100000766143_100000230001 [0,0,0,0,0,0|2,0,2]=4 2089 B11R0.3 OCCCOCCCCCCCl 7a_100000766143_100011215043 [0,0,0,0,0,0|2,0,2]=4 2090 B11R0.3 OCCCOCCCCCCF 34a_100000732779_100000230001 [0,0,0,0,0,0|2,0,2]=4 2091 B11R0.3 OCCCOCCCCCCF 7a_100000732779_100011215043 [0,0,0,0,0,0|2,0,2]=4 2092 B11R0.3 OCCCSCCCCCCF 62a_100011215043_100015922095 [0,0,0,0,0,0|2,0,2]=4 2093 B11R0.3 OCCCSCCCCCCF 62a_100015922095_100011215043 [0,0,0,0,0,0|2,0,2]=4 2094 B11R0.3 OCCOCCCCCCCBr 34a_100000760002_100000211926 [0,0,0,0,0,0|2,0,2]=4 2095 B11R0.3 OCCOCCCCCCCBr 7a_100000760002_100000211926 [0,0,0,0,0,0|2,0,2]=4 2096 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [0,0,0,0,0,0|1,0,2]=3 2097 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [0,0,0,0,0,0|1,0,2]=3 2098 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [0,0,0,0,0,0|2,0,1]=3 2099 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [0,0,0,0,0,0|2,0,1]=3 2100 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [0,0,0,0,0,0|2,0,1]=3 2101 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [0,0,0,0,0,0|2,0,1]=3 2102 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [0,0,0,0,0,0|2,0,1]=3 2103 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [0,0,0,0,0,0|1,0,2]=3 2104 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [0,0,0,0,0,0|1,0,2]=3 2105 B11R0.3 [N-]=[N+]=NCCCNCCCC=O 2230a_100000744732_200011292268 [0,0,0,0,0,0|4,0,0]=4 2106 B10R0.71 C#CCCCCCCCNC 2230a_106832991635_100153394163 [1,0,0,0,0,0|1,0,2]=4 2107 B10R0.71 C#CCCCCCCCNC 34a_100102657272_100153394163 [1,0,0,0,0,0|1,0,2]=4 2108 B10R0.71 C#CCCCCCCCNC 7a_106832991635_100153394163 [1,0,0,0,0,0|1,0,2]=4 2109 B10R0.71 C#CCCCCCCCOC 34a_100000054614_200000210301 [1,0,0,0,0,0|1,0,2]=4 2110 B10R0.71 C#CCCCCCCCOC 34a_100138415774_100153394163 [1,0,0,0,0,0|1,0,2]=4 2111 B10R0.71 C#CCCCCCCCOC 7a_100000054614_200000210301 [1,0,0,0,0,0|1,0,2]=4 2112 B10R0.71 C#CCCCCCCCO[13CH3] 34a_100000054614_200025704644 [1,0,0,0,0,0|1,0,2]=4 2113 B10R0.71 C#CCCCCCCCO[13CH3] 7a_100000054614_200025704644 [1,0,0,0,0,0|1,0,2]=4 2114 B10R0.71 C#CCCCCCCCSC 62a_100153394163_200000210301 [1,0,0,0,0,0|1,0,2]=4 2115 B10R0.71 C#CCCCCCCCSC 62a_200000210301_100153394163 [1,0,0,0,0,0|1,0,2]=4 2116 B10R0.71 C#CCCCCCCCS[13CH3] 62a_100153394163_200025704644 [1,0,0,0,0,0|1,0,2]=4 2117 B10R0.71 C#CCCCCCCCS[13CH3] 62a_200025704644_100153394163 [1,0,0,0,0,0|1,0,2]=4 2118 B10R0.71 C#CCCCCCCNCC 2230a_100015525214_100012276617 [1,0,0,0,0,0|1,0,2]=4 2119 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [1,0,0,0,0,0|1,0,2]=4 2120 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [1,0,0,0,0,0|1,0,2]=4 2121 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [1,0,0,0,0,0|1,0,2]=4 2122 B10R0.71 C#CCCCCCCSCC 62a_100000210202_100012276617 [1,0,0,0,0,0|1,0,2]=4 2123 B10R0.71 C#CCCCCCCSCC 62a_100012276617_100000210202 [1,0,0,0,0,0|1,0,2]=4 2124 B10R0.71 C#CCCCCCOCC=O 34a_100000766912_200009817547 [1,0,0,0,0,0|1,0,2]=4 2125 B10R0.71 C#CCCCCCOCC=O 7a_100000766912_200015260668 [1,0,0,0,0,0|1,0,2]=4 2126 B10R0.71 C#CCCCCCOCCC 34a_100000210258_100012094781 [1,0,0,0,0,0|1,0,2]=4 2127 B10R0.71 C#CCCCCCOCCC 34a_100000766912_100000210303 [1,0,0,0,0,0|1,0,2]=4 2128 B10R0.71 C#CCCCCCOCCC 7a_100000766912_100000210303 [1,0,0,0,0,0|1,0,2]=4 2129 B10R0.71 C#CCCCCCSCC=O 62a_100012094781_200015260668 [1,0,0,0,0,0|1,0,2]=4 2130 B10R0.71 C#CCCCCCSCC=O 62a_200015260668_100012094781 [1,0,0,0,0,0|1,0,2]=4 2131 B10R0.71 C#CCCCCCSCCC 62a_100000210303_100012094781 [1,0,0,0,0,0|1,0,2]=4 2132 B10R0.71 C#CCCCCCSCCC 62a_100012094781_100000210303 [1,0,0,0,0,0|1,0,2]=4 2133 B10R0.71 C#CCCCCNCCCC 2230a_100000102301_100010269958 [1,0,0,0,0,0|1,0,2]=4 2134 B10R0.71 C#CCCCCNCCCC 2230a_100000706060_100000210211 [1,0,0,0,0,0|1,0,2]=4 2135 B10R0.71 C#CCCCCNCCCC 34a_100000706060_100000210210 [1,0,0,0,0,0|1,0,2]=4 2136 B10R0.71 C#CCCCCNCCCC 7a_106832991798_100010269958 [1,0,0,0,0,0|1,0,2]=4 2137 B10R0.71 C#CCCCCOCCCC 34a_100000210227_100010269958 [1,0,0,0,0,0|1,0,2]=4 2138 B10R0.71 C#CCCCCOCCCC 34a_100000766709_100000210210 [1,0,0,0,0,0|1,0,2]=4 2139 B10R0.71 C#CCCCCOCCCC 7a_100000210227_100010269958 [1,0,0,0,0,0|1,0,2]=4 2140 B10R0.71 C#CCCCCOCCCC 7a_100000766709_100000210211 [1,0,0,0,0,0|1,0,2]=4 2141 B10R0.71 C#CCCCCSCCCC 62a_100000210211_100010269958 [1,0,0,0,0,0|1,0,2]=4 2142 B10R0.71 C#CCCCCSCCCC 62a_100010269958_100000210210 [1,0,0,0,0,0|1,0,2]=4 2143 B10R0.71 C#CCCCNCCCCC 2230a_100000209983_100000731252 [1,0,0,0,0,0|1,0,2]=4 2144 B10R0.71 C#CCCCNCCCCC 34a_100000718082_100000718602 [1,0,0,0,0,0|1,0,2]=4 2145 B10R0.71 C#CCCCOCCCC=O 7a_100000215630_200011292268 [1,0,0,0,0,0|1,0,2]=4 2146 B10R0.71 C#CCCCOCCCCC 34a_100000210253_100000695029 [1,0,0,0,0,0|1,0,2]=4 2147 B10R0.71 C#CCCCOCCCCC 34a_100000215630_100000718602 [1,0,0,0,0,0|1,0,2]=4 2148 B10R0.71 C#CCCCOCCCCC 7a_100000210253_100011215417 [1,0,0,0,0,0|1,0,2]=4 2149 B10R0.71 C#CCCCOCCCCC 7a_100000215630_100000210326 [1,0,0,0,0,0|1,0,2]=4 2150 B10R0.71 C#CCCCSCCCC=O 62a_100011215417_200011292268 [1,0,0,0,0,0|1,0,2]=4 2151 B10R0.71 C#CCCCSCCCC=O 62a_200011292268_100011215417 [1,0,0,0,0,0|1,0,2]=4 2152 B10R0.71 C#CCCCSCCCCC 62a_100000210326_100011215417 [1,0,0,0,0,0|1,0,2]=4 2153 B10R0.71 C#CCCCSCCCCC 62a_100011215417_100000210326 [1,0,0,0,0,0|1,0,2]=4 2154 B10R0.71 C#CCCNCCCCCC 2230a_100000210581_100000688953 [1,0,0,0,0,0|1,0,2]=4 2155 B10R0.71 C#CCCNCCCCCC 34a_100000755551_100000210314 [1,0,0,0,0,0|1,0,2]=4 2156 B10R0.71 C#CCCOCCCCCC 34a_100000210259_100000688953 [1,0,0,0,0,0|1,0,2]=4 2157 B10R0.71 C#CCCOCCCCCC 34a_100011215631_100000210314 [1,0,0,0,0,0|1,0,2]=4 2158 B10R0.71 C#CCCOCCCCCC 7a_100000210259_100000688953 [1,0,0,0,0,0|1,0,2]=4 2159 B10R0.71 C#CCCSCCCCC=O 62a_100000139335_100000688953 [1,0,0,0,0,0|1,0,2]=4 2160 B10R0.71 C#CCCSCCCCC=O 62a_100000688953_100000139335 [1,0,0,0,0,0|1,0,2]=4 2161 B10R0.71 C#CCCSCCCCCC 62a_100000210314_100000688953 [1,0,0,0,0,0|1,0,2]=4 2162 B10R0.71 C#CCCSCCCCCC 62a_100000688953_100000210757 [1,0,0,0,0,0|1,0,2]=4 2163 B10R0.71 C#CCNCCCCCCC 2230a_100000229938_100000038162 [1,0,0,0,0,0|1,0,2]=4 2164 B10R0.71 C#CCNCCCCCCC 34a_100000212058_100000210614 [1,0,0,0,0,0|1,0,2]=4 2165 B10R0.71 C#CCOCCCCCCC 34a_100000210247_100000210614 [1,0,0,0,0,0|1,0,2]=4 2166 B10R0.71 C#CCOCCCCCCC 34a_100000210272_100000184674 [1,0,0,0,0,0|1,0,2]=4 2167 B10R0.71 C#CCOCCCCCCC 7a_100000210272_100000038162 [1,0,0,0,0,0|1,0,2]=4 2168 B10R0.71 C#CCSCCCCCC=O 62a_100000038162_100000139337 [1,0,0,0,0,0|1,0,2]=4 2169 B10R0.71 C#CCSCCCCCCC 62a_100000038162_100000210316 [1,0,0,0,0,0|1,0,2]=4 2170 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [1,0,0,0,0,0|2,0,1]=4 2171 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,0,0,0,0,0|2,0,1]=4 2172 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,0,0,0,0,0|2,0,1]=4 2173 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,0,0,0,0,0|2,0,1]=4 2174 B10R0.71 C/C=C/CSCCCCC=O 62a_100000139335_100102629194 [1,0,0,0,0,0|1,0,2]=4 2175 B10R0.71 C/C=C/CSCCCCC=O 62a_100102629194_100000139335 [1,0,0,0,0,0|1,0,2]=4 2176 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [1,0,0,0,0,0|2,0,1]=4 2177 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [1,0,0,0,0,0|2,0,1]=4 2178 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [1,0,0,0,0,0|1,0,1]=3 2179 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [1,0,0,0,0,0|1,0,1]=3 2180 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [1,0,0,0,0,0|1,0,1]=3 2181 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [1,0,0,0,0,0|1,0,1]=3 2182 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [1,0,0,0,0,0|1,0,1]=3 2183 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [1,0,0,0,0,0|1,0,1]=3 2184 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [1,0,0,0,0,0|1,0,1]=3 2185 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [1,0,0,0,0,0|1,0,1]=3 2186 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [1,0,0,0,0,0|1,0,1]=3 2187 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [1,0,0,0,0,0|1,0,1]=3 2188 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [1,0,0,0,0,0|1,0,1]=3 2189 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [1,0,0,0,0,0|1,0,1]=3 2190 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [1,0,0,0,0,0|1,0,1]=3 2191 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [1,0,0,0,0,0|1,0,1]=3 2192 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [1,0,0,0,0,0|1,0,1]=3 2193 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [1,0,0,0,0,0|1,0,1]=3 2194 B10R0.71 C=CCCCCCCOCF 34a_200011216477_100015361967 [1,0,0,0,0,0|2,0,1]=4 2195 B10R0.71 C=CCCCCCCOCF 7a_200011216477_100015361967 [1,0,0,0,0,0|2,0,1]=4 2196 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [1,0,0,0,0,0|1,0,1]=3 2197 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [1,0,0,0,0,0|1,0,1]=3 2198 B10R0.71 C=CCCCCCCSCF 62a_100011215473_100015361967 [1,0,0,0,0,0|2,0,1]=4 2199 B10R0.71 C=CCCCCCCSCF 62a_100015361967_100011215473 [1,0,0,0,0,0|2,0,1]=4 2200 B10R0.71 C=CCCCCCNCCF 34a_100000724931_100000700193 [1,0,0,0,0,0|2,0,1]=4 2201 B10R0.71 C=CCCCCCNCCO 2230a_100016997473_100000700193 [1,0,0,0,0,0|2,0,1]=4 2202 B10R0.71 C=CCCCCCNCCO 34a_100016990907_100000700193 [1,0,0,0,0,0|2,0,1]=4 2203 B10R0.71 C=CCCCCCOCC=O 34a_100011216702_200009817547 [1,0,0,0,0,0|1,0,2]=4 2204 B10R0.71 C=CCCCCCOCC=O 7a_100011216702_200015260668 [1,0,0,0,0,0|1,0,2]=4 2205 B10R0.71 C=CCCCCCOCCBr 34a_100000211926_100000700193 [1,0,0,0,0,0|2,0,1]=4 2206 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [1,0,0,0,0,0|1,0,1]=3 2207 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [1,0,0,0,0,0|1,0,1]=3 2208 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [1,0,0,0,0,0|1,0,1]=3 2209 B10R0.71 C=CCCCCCOCCF 34a_100011216702_100011217306 [1,0,0,0,0,0|2,0,1]=4 2210 B10R0.71 C=CCCCCCOCCF 7a_100011216702_100011217306 [1,0,0,0,0,0|2,0,1]=4 2211 B10R0.71 C=CCCCCCOCCN 34a_100000210304_100000700193 [1,0,0,0,0,0|2,0,1]=4 2212 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [1,0,0,0,0,0|2,0,1]=4 2213 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [1,0,0,0,0,0|2,0,1]=4 2214 B10R0.71 C=CCCCCCOCSC 34a_100011216702_100011218213 [1,0,0,0,0,0|2,0,1]=4 2215 B10R0.71 C=CCCCCCSCC=O 62a_100000700193_200015260668 [1,0,0,0,0,0|1,0,2]=4 2216 B10R0.71 C=CCCCCCSCC=O 62a_200015260668_100000700193 [1,0,0,0,0,0|1,0,2]=4 2217 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [1,0,0,0,0,0|1,0,1]=3 2218 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [1,0,0,0,0,0|1,0,1]=3 2219 B10R0.71 C=CCCCCCSCCF 62a_100000700193_100011217306 [1,0,0,0,0,0|2,0,1]=4 2220 B10R0.71 C=CCCCCCSCCF 62a_100011217306_100000700193 [1,0,0,0,0,0|2,0,1]=4 2221 B10R0.71 C=CCCCCCSCCO 62a_100000211926_100000700193 [1,0,0,0,0,0|2,0,1]=4 2222 B10R0.71 C=CCCCCCSCCO 62a_100000700193_100000211926 [1,0,0,0,0,0|2,0,1]=4 2223 B10R0.71 C=CCCCCCSCOC 62a_100000700193_100000766300 [1,0,0,0,0,0|2,0,1]=4 2224 B10R0.71 C=CCCCCCSCOC 62a_100000766300_100000700193 [1,0,0,0,0,0|2,0,1]=4 2225 B10R0.71 C=CCCCCCSCSC 62a_100000700193_100011218213 [1,0,0,0,0,0|2,0,1]=4 2226 B10R0.71 C=CCCCCCSCSC 62a_100011218213_100000700193 [1,0,0,0,0,0|2,0,1]=4 2227 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [1,0,0,0,0,0|1,0,1]=3 2228 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [1,0,0,0,0,0|1,0,1]=3 2229 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [1,0,0,0,0,0|1,0,1]=3 2230 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [1,0,0,0,0,0|1,0,1]=3 2231 B10R0.71 C=CCCCCNCCCF 2230a_100000703577_100011934791 [1,0,0,0,0,0|2,0,1]=4 2232 B10R0.71 C=CCCCCNCCCF 2230a_100015189416_100011215482 [1,0,0,0,0,0|2,0,1]=4 2233 B10R0.71 C=CCCCCNCCCF 34a_100000703577_100011934791 [1,0,0,0,0,0|2,0,1]=4 2234 B10R0.71 C=CCCCCNCCCF 34a_100015189416_100011215482 [1,0,0,0,0,0|2,0,1]=4 2235 B10R0.71 C=CCCCCNCCCO 2230a_100000703577_100000230001 [1,0,0,0,0,0|2,0,1]=4 2236 B10R0.71 C=CCCCCNCCCO 34a_100000703577_100000230001 [1,0,0,0,0,0|2,0,1]=4 2237 B10R0.71 C=CCCCCNCCOC 2230a_100000209980_100011215482 [1,0,0,0,0,0|2,0,1]=4 2238 B10R0.71 C=CCCCCNCCOC 2230a_100000703577_100011201679 [1,0,0,0,0,0|2,0,1]=4 2239 B10R0.71 C=CCCCCNCCOC 34a_100000703577_100011201679 [1,0,0,0,0,0|2,0,1]=4 2240 B10R0.71 C=CCCCCNCCSC 2230a_100000703577_100000751147 [1,0,0,0,0,0|2,0,1]=4 2241 B10R0.71 C=CCCCCNCCSC 2230a_100020590264_100011215482 [1,0,0,0,0,0|2,0,1]=4 2242 B10R0.71 C=CCCCCNCCSC 34a_100000703577_100000212216 [1,0,0,0,0,0|2,0,1]=4 2243 B10R0.71 C=CCCCCOCCCBr 34a_100011217188_100011215482 [1,0,0,0,0,0|2,0,1]=4 2244 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [1,0,0,0,0,0|1,0,1]=3 2245 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [1,0,0,0,0,0|1,0,1]=3 2246 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [1,0,0,0,0,0|1,0,1]=3 2247 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [1,0,0,0,0,0|1,0,1]=3 2248 B10R0.71 C=CCCCCOCCCCl 34a_100000230001_100011215482 [1,0,0,0,0,0|2,0,1]=4 2249 B10R0.71 C=CCCCCOCCCF 34a_100000759539_100011215482 [1,0,0,0,0,0|2,0,1]=4 2250 B10R0.71 C=CCCCCOCCCF 34a_100000766645_100011934791 [1,0,0,0,0,0|2,0,1]=4 2251 B10R0.71 C=CCCCCOCCCF 7a_100000766645_100011934791 [1,0,0,0,0,0|2,0,1]=4 2252 B10R0.71 C=CCCCCOCCCN 34a_100000182051_100011215482 [1,0,0,0,0,0|2,0,1]=4 2253 B10R0.71 C=CCCCCOCCCO 34a_100000766645_100000230001 [1,0,0,0,0,0|2,0,1]=4 2254 B10R0.71 C=CCCCCOCCCO 7a_100000766645_100011215043 [1,0,0,0,0,0|2,0,1]=4 2255 B10R0.71 C=CCCCCOCCOC 34a_100000210237_100011215482 [1,0,0,0,0,0|2,0,1]=4 2256 B10R0.71 C=CCCCCOCCOC 34a_100000766645_100011201679 [1,0,0,0,0,0|2,0,1]=4 2257 B10R0.71 C=CCCCCOCCOC 7a_100000766645_100000233755 [1,0,0,0,0,0|2,0,1]=4 2258 B10R0.71 C=CCCCCOCCSC 34a_100000230434_100011215482 [1,0,0,0,0,0|2,0,1]=4 2259 B10R0.71 C=CCCCCOCCSC 34a_100000766645_100000212216 [1,0,0,0,0,0|2,0,1]=4 2260 B10R0.71 C=CCCCCOCCSC 7a_100000230434_100011215482 [1,0,0,0,0,0|2,0,1]=4 2261 B10R0.71 C=CCCCCOCCSC 7a_100000766645_100000212216 [1,0,0,0,0,0|2,0,1]=4 2262 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [1,0,0,0,0,0|1,0,1]=3 2263 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [1,0,0,0,0,0|1,0,1]=3 2264 B10R0.71 C=CCCCCSCCCF 62a_100011215482_100011934791 [1,0,0,0,0,0|2,0,1]=4 2265 B10R0.71 C=CCCCCSCCCF 62a_100011934791_100011215482 [1,0,0,0,0,0|2,0,1]=4 2266 B10R0.71 C=CCCCCSCCCO 62a_100011215043_100011215482 [1,0,0,0,0,0|2,0,1]=4 2267 B10R0.71 C=CCCCCSCCCO 62a_100011215482_100011215043 [1,0,0,0,0,0|2,0,1]=4 2268 B10R0.71 C=CCCCCSCCOC 62a_100000233755_100011215482 [1,0,0,0,0,0|2,0,1]=4 2269 B10R0.71 C=CCCCCSCCOC 62a_100011215482_100000233755 [1,0,0,0,0,0|2,0,1]=4 2270 B10R0.71 C=CCCCCSCCSC 62a_100000212216_100011215482 [1,0,0,0,0,0|2,0,1]=4 2271 B10R0.71 C=CCCCCSCCSC 62a_100011215482_100000751147 [1,0,0,0,0,0|2,0,1]=4 2272 B10R0.71 C=CCCCCSCOCC 62a_100000739092_100011215482 [1,0,0,0,0,0|2,0,1]=4 2273 B10R0.71 C=CCCCCSCOCC 62a_100011215482_100000739092 [1,0,0,0,0,0|2,0,1]=4 2274 B10R0.71 C=CCCCNCCCC=O 2230a_100000700776_200011292268 [1,0,0,0,0,0|1,0,2]=4 2275 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [1,0,0,0,0,0|1,0,1]=3 2276 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [1,0,0,0,0,0|1,0,1]=3 2277 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [1,0,0,0,0,0|1,0,1]=3 2278 B10R0.71 C=CCCCNCCCCF 2230a_100000700776_100000729493 [1,0,0,0,0,0|2,0,1]=4 2279 B10R0.71 C=CCCCNCCCCF 34a_100000700776_100000729493 [1,0,0,0,0,0|2,0,1]=4 2280 B10R0.71 C=CCCCNCCCCO 2230a_100000700776_100000210776 [1,0,0,0,0,0|2,0,1]=4 2281 B10R0.71 C=CCCCNCCCCO 2230a_100000750430_100011713584 [1,0,0,0,0,0|2,0,1]=4 2282 B10R0.71 C=CCCCNCCCCO 34a_100000700776_100011216708 [1,0,0,0,0,0|2,0,1]=4 2283 B10R0.71 C=CCCCNCCCCO 34a_100000750430_100000757094 [1,0,0,0,0,0|2,0,1]=4 2284 B10R0.71 C=CCCCNCCCOC 2230a_100000700776_100000740836 [1,0,0,0,0,0|2,0,1]=4 2285 B10R0.71 C=CCCCNCCCOC 34a_100000700776_100000740836 [1,0,0,0,0,0|2,0,1]=4 2286 B10R0.71 C=CCCCNCCCOC 34a_100150723488_100000757094 [1,0,0,0,0,0|2,0,1]=4 2287 B10R0.71 C=CCCCNCCCSC 2230a_100000749238_100011713584 [1,0,0,0,0,0|2,0,1]=4 2288 B10R0.71 C=CCCCNCCOCC 2230a_100000700776_100011215890 [1,0,0,0,0,0|2,0,1]=4 2289 B10R0.71 C=CCCCNCCOCC 2230a_102516460346_100011713584 [1,0,0,0,0,0|2,0,1]=4 2290 B10R0.71 C=CCCCNCCOCC 34a_100000700776_100000210147 [1,0,0,0,0,0|2,0,1]=4 2291 B10R0.71 C=CCCCNCCOCC 34a_102516460346_100000757094 [1,0,0,0,0,0|2,0,1]=4 2292 B10R0.71 C=CCCCNCCSCC 2230a_100000106463_100011713584 [1,0,0,0,0,0|2,0,1]=4 2293 B10R0.71 C=CCCCNCCSCC 2230a_100000700776_100000757381 [1,0,0,0,0,0|2,0,1]=4 2294 B10R0.71 C=CCCCNCCSCC 34a_100000700776_100000757381 [1,0,0,0,0,0|2,0,1]=4 2295 B10R0.71 C=CCCCOCCCC=O 7a_100000758997_200011292268 [1,0,0,0,0,0|1,0,2]=4 2296 B10R0.71 C=CCCCOCCCCBr 34a_100011216708_100000757094 [1,0,0,0,0,0|2,0,1]=4 2297 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [1,0,0,0,0,0|1,0,1]=3 2298 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [1,0,0,0,0,0|1,0,1]=3 2299 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [1,0,0,0,0,0|1,0,1]=3 2300 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [1,0,0,0,0,0|1,0,1]=3 2301 B10R0.71 C=CCCCOCCCCCl 34a_100000210776_100000757094 [1,0,0,0,0,0|2,0,1]=4 2302 B10R0.71 C=CCCCOCCCCCl 7a_100000210776_100000757094 [1,0,0,0,0,0|2,0,1]=4 2303 B10R0.71 C=CCCCOCCCCF 34a_100000758997_100000729493 [1,0,0,0,0,0|2,0,1]=4 2304 B10R0.71 C=CCCCOCCCCF 34a_100011995726_100000757094 [1,0,0,0,0,0|2,0,1]=4 2305 B10R0.71 C=CCCCOCCCCF 7a_100000758997_100000729493 [1,0,0,0,0,0|2,0,1]=4 2306 B10R0.71 C=CCCCOCCCCF 7a_100011995726_100000757094 [1,0,0,0,0,0|2,0,1]=4 2307 B10R0.71 C=CCCCOCCCCI 34a_200012148704_100000757094 [1,0,0,0,0,0|2,0,1]=4 2308 B10R0.71 C=CCCCOCCCCN 34a_100000750430_100000757094 [1,0,0,0,0,0|2,0,1]=4 2309 B10R0.71 C=CCCCOCCCCO 34a_100000758997_100011216708 [1,0,0,0,0,0|2,0,1]=4 2310 B10R0.71 C=CCCCOCCCCO 7a_100000758997_100000210776 [1,0,0,0,0,0|2,0,1]=4 2311 B10R0.71 C=CCCCOCCCNC 34a_100000213112_100000757094 [1,0,0,0,0,0|2,0,1]=4 2312 B10R0.71 C=CCCCOCCCOC 34a_100000740835_100000757094 [1,0,0,0,0,0|2,0,1]=4 2313 B10R0.71 C=CCCCOCCCOC 34a_100000758997_100000740836 [1,0,0,0,0,0|2,0,1]=4 2314 B10R0.71 C=CCCCOCCCOC 7a_100000758997_100000740836 [1,0,0,0,0,0|2,0,1]=4 2315 B10R0.71 C=CCCCOCCCSC 34a_100000690336_100000757094 [1,0,0,0,0,0|2,0,1]=4 2316 B10R0.71 C=CCCCOCCCSC 7a_100000690336_100000757094 [1,0,0,0,0,0|2,0,1]=4 2317 B10R0.71 C=CCCCOCCOCC 34a_100000210136_100000757094 [1,0,0,0,0,0|2,0,1]=4 2318 B10R0.71 C=CCCCOCCOCC 34a_100000758997_100000210147 [1,0,0,0,0,0|2,0,1]=4 2319 B10R0.71 C=CCCCOCCOCC 7a_100000210136_100000757094 [1,0,0,0,0,0|2,0,1]=4 2320 B10R0.71 C=CCCCOCCOCC 7a_100000758997_100011215890 [1,0,0,0,0,0|2,0,1]=4 2321 B10R0.71 C=CCCCOCCSCC 34a_100000212035_100000757094 [1,0,0,0,0,0|2,0,1]=4 2322 B10R0.71 C=CCCCOCCSCC 34a_100000758997_100000757381 [1,0,0,0,0,0|2,0,1]=4 2323 B10R0.71 C=CCCCOCCSCC 7a_100000212035_100000757094 [1,0,0,0,0,0|2,0,1]=4 2324 B10R0.71 C=CCCCOCCSCC 7a_100000758997_100000757381 [1,0,0,0,0,0|2,0,1]=4 2325 B10R0.71 C=CCCCSCCCC=O 62a_100011713584_200011292268 [1,0,0,0,0,0|1,0,2]=4 2326 B10R0.71 C=CCCCSCCCC=O 62a_200011292268_100000757094 [1,0,0,0,0,0|1,0,2]=4 2327 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [1,0,0,0,0,0|1,0,1]=3 2328 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [1,0,0,0,0,0|1,0,1]=3 2329 B10R0.71 C=CCCCSCCCCF 62a_100000729493_100000757094 [1,0,0,0,0,0|2,0,1]=4 2330 B10R0.71 C=CCCCSCCCCF 62a_100011713584_100000729493 [1,0,0,0,0,0|2,0,1]=4 2331 B10R0.71 C=CCCCSCCCCO 62a_100000210776_100000757094 [1,0,0,0,0,0|2,0,1]=4 2332 B10R0.71 C=CCCCSCCCCO 62a_100011713584_100000210776 [1,0,0,0,0,0|2,0,1]=4 2333 B10R0.71 C=CCCCSCCCOC 62a_100000709357_100000757094 [1,0,0,0,0,0|2,0,1]=4 2334 B10R0.71 C=CCCCSCCCOC 62a_100011713584_100000709357 [1,0,0,0,0,0|2,0,1]=4 2335 B10R0.71 C=CCCCSCCOCC 62a_100000210147_100000757094 [1,0,0,0,0,0|2,0,1]=4 2336 B10R0.71 C=CCCCSCCOCC 62a_100011713584_100011215890 [1,0,0,0,0,0|2,0,1]=4 2337 B10R0.71 C=CCCCSCCSCC 62a_100000757381_100000757094 [1,0,0,0,0,0|2,0,1]=4 2338 B10R0.71 C=CCCCSCCSCC 62a_100011713584_100000757381 [1,0,0,0,0,0|2,0,1]=4 2339 B10R0.71 C=CCCNCCCCC=O 2230a_100015191253_100000139335 [1,0,0,0,0,0|1,0,2]=4 2340 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [1,0,0,0,0,0|1,0,1]=3 2341 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [1,0,0,0,0,0|1,0,1]=3 2342 B10R0.71 C=CCCNCCCCCF 2230a_100015191253_100000729378 [1,0,0,0,0,0|2,0,1]=4 2343 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [1,0,0,0,0,0|2,0,1]=4 2344 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [1,0,0,0,0,0|2,0,1]=4 2345 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [1,0,0,0,0,0|2,0,1]=4 2346 B10R0.71 C=CCCNCCCCOC 2230a_100015191253_100000730899 [1,0,0,0,0,0|2,0,1]=4 2347 B10R0.71 C=CCCNCCCOCC 2230a_100000210961_100000754431 [1,0,0,0,0,0|2,0,1]=4 2348 B10R0.71 C=CCCNCCCOCC 2230a_100015191253_100012232248 [1,0,0,0,0,0|2,0,1]=4 2349 B10R0.71 C=CCCNCCCOCC 34a_100000210961_100000754431 [1,0,0,0,0,0|2,0,1]=4 2350 B10R0.71 C=CCCNCCOCCC 2230a_100015191253_100011215938 [1,0,0,0,0,0|2,0,1]=4 2351 B10R0.71 C=CCCNCCOCCC 2230a_100161115042_100000754431 [1,0,0,0,0,0|2,0,1]=4 2352 B10R0.71 C=CCCNCCOCCC 34a_100161115042_100000754431 [1,0,0,0,0,0|2,0,1]=4 2353 B10R0.71 C=CCCNCCSCCC 2230a_100020603323_100000754431 [1,0,0,0,0,0|2,0,1]=4 2354 B10R0.71 C=CCCNCOCCCC 2230a_100015191253_100011995733 [1,0,0,0,0,0|2,0,1]=4 2355 B10R0.71 C=CCCOCCCCCBr 34a_100000746331_100000754431 [1,0,0,0,0,0|2,0,1]=4 2356 B10R0.71 C=CCCOCCCCCBr 7a_100000746331_100000754431 [1,0,0,0,0,0|2,0,1]=4 2357 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [1,0,0,0,0,0|1,0,1]=3 2358 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [1,0,0,0,0,0|1,0,1]=3 2359 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [1,0,0,0,0,0|1,0,1]=3 2360 B10R0.71 C=CCCOCCCCCCl 34a_100000746330_100000754431 [1,0,0,0,0,0|2,0,1]=4 2361 B10R0.71 C=CCCOCCCCCCl 7a_100000746330_100000754431 [1,0,0,0,0,0|2,0,1]=4 2362 B10R0.71 C=CCCOCCCCCF 34a_100011205117_100000729378 [1,0,0,0,0,0|2,0,1]=4 2363 B10R0.71 C=CCCOCCCCCI 34a_200012148887_100000754431 [1,0,0,0,0,0|2,0,1]=4 2364 B10R0.71 C=CCCOCCCCCI 7a_200012148887_100000754431 [1,0,0,0,0,0|2,0,1]=4 2365 B10R0.71 C=CCCOCCCCCN 34a_100000762737_100000754431 [1,0,0,0,0,0|2,0,1]=4 2366 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [1,0,0,0,0,0|2,0,1]=4 2367 B10R0.71 C=CCCOCCCCOC 34a_100000740925_100000754431 [1,0,0,0,0,0|2,0,1]=4 2368 B10R0.71 C=CCCOCCCCOC 34a_100011205117_100000755781 [1,0,0,0,0,0|2,0,1]=4 2369 B10R0.71 C=CCCOCCCCSC 34a_100011217163_100000754431 [1,0,0,0,0,0|2,0,1]=4 2370 B10R0.71 C=CCCOCCCCSC 7a_100011217163_100000754431 [1,0,0,0,0,0|2,0,1]=4 2371 B10R0.71 C=CCCOCCCOCC 34a_100000757476_100000754431 [1,0,0,0,0,0|2,0,1]=4 2372 B10R0.71 C=CCCOCCCOCC 34a_100011205117_100012232248 [1,0,0,0,0,0|2,0,1]=4 2373 B10R0.71 C=CCCOCCCOCC 7a_100000757476_100000754431 [1,0,0,0,0,0|2,0,1]=4 2374 B10R0.71 C=CCCOCCCSCC 34a_100011216438_100000754431 [1,0,0,0,0,0|2,0,1]=4 2375 B10R0.71 C=CCCOCCCSCC 7a_100011216438_100000754431 [1,0,0,0,0,0|2,0,1]=4 2376 B10R0.71 C=CCCOCCOCCC 34a_100000752267_100000754431 [1,0,0,0,0,0|2,0,1]=4 2377 B10R0.71 C=CCCOCCOCCC 34a_100011205117_100011215938 [1,0,0,0,0,0|2,0,1]=4 2378 B10R0.71 C=CCCOCCOCCC 7a_100000752267_100000754431 [1,0,0,0,0,0|2,0,1]=4 2379 B10R0.71 C=CCCOCCSCCC 34a_200000230433_100000754431 [1,0,0,0,0,0|2,0,1]=4 2380 B10R0.71 C=CCCOCCSCCC 7a_200000230433_100000754431 [1,0,0,0,0,0|2,0,1]=4 2381 B10R0.71 C=CCCOCOCCCC 34a_100011205117_100011995733 [1,0,0,0,0,0|2,0,1]=4 2382 B10R0.71 C=CCCSCCCCC=O 62a_100000139335_100000754431 [1,0,0,0,0,0|1,0,2]=4 2383 B10R0.71 C=CCCSCCCCC=O 62a_100000754431_100000139335 [1,0,0,0,0,0|1,0,2]=4 2384 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [1,0,0,0,0,0|1,0,1]=3 2385 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [1,0,0,0,0,0|1,0,1]=3 2386 B10R0.71 C=CCCSCCCCCF 62a_100000729378_100000754431 [1,0,0,0,0,0|2,0,1]=4 2387 B10R0.71 C=CCCSCCCCCF 62a_100000754431_100000729378 [1,0,0,0,0,0|2,0,1]=4 2388 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [1,0,0,0,0,0|2,0,1]=4 2389 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [1,0,0,0,0,0|2,0,1]=4 2390 B10R0.71 C=CCCSCCCCOC 62a_100000730899_100000754431 [1,0,0,0,0,0|2,0,1]=4 2391 B10R0.71 C=CCCSCCCCOC 62a_100000754431_100000730899 [1,0,0,0,0,0|2,0,1]=4 2392 B10R0.71 C=CCCSCCCOCC 62a_100000754431_100012232248 [1,0,0,0,0,0|2,0,1]=4 2393 B10R0.71 C=CCCSCCCOCC 62a_100012232248_100000754431 [1,0,0,0,0,0|2,0,1]=4 2394 B10R0.71 C=CCCSCCOCCC 62a_100000754431_100011215938 [1,0,0,0,0,0|2,0,1]=4 2395 B10R0.71 C=CCCSCCOCCC 62a_100011215938_100000754431 [1,0,0,0,0,0|2,0,1]=4 2396 B10R0.71 C=CCCSCOCCCC 62a_100000754431_100011995733 [1,0,0,0,0,0|2,0,1]=4 2397 B10R0.71 C=CCCSCOCCCC 62a_100011995733_100000754431 [1,0,0,0,0,0|2,0,1]=4 2398 B10R0.71 C=CCNCCCCCC=O 2230a_100020586998_100000139337 [1,0,0,0,0,0|1,0,2]=4 2399 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [1,0,0,0,0,0|1,0,1]=3 2400 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [1,0,0,0,0,0|1,0,1]=3 2401 B10R0.71 C=CCNCCCCCCF 2230a_100020586998_100015922095 [1,0,0,0,0,0|2,0,1]=4 2402 B10R0.71 C=CCNCCCCCCO 2230a_100000686447_100000210623 [1,0,0,0,0,0|2,0,1]=4 2403 B10R0.71 C=CCNCCCCCCO 2230a_100020586998_100000766143 [1,0,0,0,0,0|2,0,1]=4 2404 B10R0.71 C=CCNCCCCCCO 34a_100000686447_100015514636 [1,0,0,0,0,0|2,0,1]=4 2405 B10R0.71 C=CCNCCCCCOC 2230a_100000747528_100000210623 [1,0,0,0,0,0|2,0,1]=4 2406 B10R0.71 C=CCNCCCCCOC 34a_100000747528_100015514636 [1,0,0,0,0,0|2,0,1]=4 2407 B10R0.71 C=CCNCCCOCCC 2230a_100011217757_100000210623 [1,0,0,0,0,0|2,0,1]=4 2408 B10R0.71 C=CCNCCCOCCC 34a_100011217757_100015514636 [1,0,0,0,0,0|2,0,1]=4 2409 B10R0.71 C=CCNCCOCCCC 2230a_100020586998_100000743108 [1,0,0,0,0,0|2,0,1]=4 2410 B10R0.71 C=CCNCCSCCCC 2230a_100025743550_100000210623 [1,0,0,0,0,0|2,0,1]=4 2411 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [1,0,0,0,0,0|2,0,1]=4 2412 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [1,0,0,0,0,0|2,0,1]=4 2413 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [1,0,0,0,0,0|1,0,1]=3 2414 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [1,0,0,0,0,0|1,0,1]=3 2415 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [1,0,0,0,0,0|1,0,1]=3 2416 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [1,0,0,0,0,0|2,0,1]=4 2417 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [1,0,0,0,0,0|2,0,1]=4 2418 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [1,0,0,0,0,0|2,0,1]=4 2419 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [1,0,0,0,0,0|2,0,1]=4 2420 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [1,0,0,0,0,0|2,0,1]=4 2421 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [1,0,0,0,0,0|2,0,1]=4 2422 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [1,0,0,0,0,0|2,0,1]=4 2423 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [1,0,0,0,0,0|2,0,1]=4 2424 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [1,0,0,0,0,0|2,0,1]=4 2425 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [1,0,0,0,0,0|2,0,1]=4 2426 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [1,0,0,0,0,0|2,0,1]=4 2427 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [1,0,0,0,0,0|2,0,1]=4 2428 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [1,0,0,0,0,0|2,0,1]=4 2429 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [1,0,0,0,0,0|2,0,1]=4 2430 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [1,0,0,0,0,0|2,0,1]=4 2431 B10R0.71 C=CCSCCCCCC=O 62a_100000139337_100000210623 [1,0,0,0,0,0|1,0,2]=4 2432 B10R0.71 C=CCSCCCCCC=O 62a_100000210623_100000139337 [1,0,0,0,0,0|1,0,2]=4 2433 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [1,0,0,0,0,0|1,0,1]=3 2434 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [1,0,0,0,0,0|1,0,1]=3 2435 B10R0.71 C=CCSCCCCCCF 62a_100000210623_100015922095 [1,0,0,0,0,0|2,0,1]=4 2436 B10R0.71 C=CCSCCCCCCF 62a_100015922095_100000210623 [1,0,0,0,0,0|2,0,1]=4 2437 B10R0.71 C=CCSCCCCCCO 62a_100000210623_100000766143 [1,0,0,0,0,0|2,0,1]=4 2438 B10R0.71 C=CCSCCCCCCO 62a_100000766143_100000210623 [1,0,0,0,0,0|2,0,1]=4 2439 B10R0.71 C=CCSCCOCCCC 62a_100000210623_100000743108 [1,0,0,0,0,0|2,0,1]=4 2440 B10R0.71 C=CCSCCOCCCC 62a_100000743108_100000210623 [1,0,0,0,0,0|2,0,1]=4 2441 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [1,0,0,0,0,0|2,0,1]=4 2442 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [1,0,0,0,0,0|2,0,1]=4 2443 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [1,0,0,0,0,0|2,0,1]=4 2444 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [1,0,0,0,0,0|2,0,1]=4 2445 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [1,0,0,0,0,0|2,0,1]=4 2446 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [1,0,0,0,0,0|2,0,1]=4 2447 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [1,0,0,0,0,0|2,0,1]=4 2448 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [1,0,0,0,0,0|2,0,1]=4 2449 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [1,0,0,0,0,0|2,0,1]=4 2450 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [1,0,0,0,0,0|2,0,1]=4 2451 B10R0.71 CC#CCNCCCCC=O 2230a_100000685387_100000139335 [1,0,0,0,0,0|1,0,2]=4 2452 B10R0.71 CC#CCSCCCCC=O 62a_100000139335_100000748600 [1,0,0,0,0,0|1,0,2]=4 2453 B10R0.71 CC#CCSCCCCC=O 62a_100000748600_100000139335 [1,0,0,0,0,0|1,0,2]=4 2454 B10R0.71 CC/C=C/CCCOCC=O 34a_100016287902_200009817547 [1,0,0,0,0,0|1,0,2]=4 2455 B10R0.71 CC/C=C/CCCOCC=O 7a_100016287902_200015260668 [1,0,0,0,0,0|1,0,2]=4 2456 B10R0.71 CC/C=C\CSCCCC=O 62a_100103147603_200011292268 [1,0,0,0,0,0|1,0,2]=4 2457 B10R0.71 CC/C=C\CSCCCC=O 62a_200011292268_100103147603 [1,0,0,0,0,0|1,0,2]=4 2458 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [1,0,0,0,0,0|2,0,1]=4 2459 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [1,0,0,0,0,0|2,0,1]=4 2460 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,0,0,0,0,0|2,0,1]=4 2461 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,0,0,0,0,0|2,0,1]=4 2462 B10R0.71 CC=CCSCCCCC=O 62a_100000070051_100000139335 [1,0,0,0,0,0|1,0,2]=4 2463 B10R0.71 CC=CCSCCCCC=O 62a_100000139335_100000070051 [1,0,0,0,0,0|1,0,2]=4 2464 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [1,0,0,0,0,0|2,0,1]=4 2465 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [1,0,0,0,0,0|2,0,1]=4 2466 B10R0.71 CCC#CCSCCCC=O 62a_100009813939_200011292268 [1,0,0,0,0,0|1,0,2]=4 2467 B10R0.71 CCC#CCSCCCC=O 62a_200011292268_100009813939 [1,0,0,0,0,0|1,0,2]=4 2468 B10R0.71 CCCC#CCCOCC=O 34a_100000042726_200009817547 [1,0,0,0,0,0|1,0,2]=4 2469 B10R0.71 CCCC#CCCOCC=O 7a_100000042726_200015260668 [1,0,0,0,0,0|1,0,2]=4 2470 B10R0.71 CCCC/C=C/COCC=O 34a_200016272032_200009817547 [1,0,0,0,0,0|1,0,2]=4 2471 B10R0.71 CCCC/C=C/COCC=O 7a_200016272032_200015260668 [1,0,0,0,0,0|1,0,2]=4 2472 B10R0.71 CCCCC#CCOCC=O 34a_200000034558_200009817547 [1,0,0,0,0,0|1,0,2]=4 2473 B10R0.71 CCCCC#CCOCC=O 7a_200000034558_200015260668 [1,0,0,0,0,0|1,0,2]=4 2474 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,0,0,0,0,0|1,0,1]=3 2475 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,0,0,0,0,0|1,0,1]=3 2476 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,0,0,0,0,0|1,0,1]=3 2477 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,0,0,0,0,0|1,0,1]=3 2478 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,0,0,0,0,0|1,0,1]=3 2479 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,0,0,0,0,0|1,0,1]=3 2480 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,0,0,0,0,0|1,0,1]=3 2481 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,0,0,0,0,0|1,0,1]=3 2482 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,0,0,0,0,0|1,0,1]=3 2483 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,0,0,0,0,0|1,0,1]=3 2484 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,0,0,0,0,0|1,0,1]=3 2485 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,0,0,0,0,0|1,0,1]=3 2486 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,0,0,0,0,0|1,0,1]=3 2487 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,0,0,0,0,0|1,0,1]=3 2488 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [1,0,0,0,0,0|1,0,1]=3 2489 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [1,0,0,0,0,0|1,0,1]=3 2490 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [1,0,0,0,0,0|1,0,1]=3 2491 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [1,0,0,0,0,0|2,0,0]=3 2492 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [1,0,0,0,0,0|1,0,1]=3 2493 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [1,0,0,0,0,0|1,0,1]=3 2494 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [1,0,0,0,0,0|1,0,1]=3 2495 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [1,0,0,0,0,0|2,0,0]=3 2496 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [1,0,0,0,0,0|2,0,0]=3 2497 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [1,0,0,0,0,0|1,0,1]=3 2498 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [1,0,0,0,0,0|1,0,1]=3 2499 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [1,0,0,0,0,0|2,0,0]=3 2500 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [1,0,0,0,0,0|2,0,0]=3 2501 B10R0.71 CCCCCCCNCC#N 2230a_100000229938_100011215382 [1,0,0,0,0,0|2,0,1]=4 2502 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [1,0,0,0,0,0|1,0,0]=2 2503 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [1,0,0,0,0,0|1,0,1]=3 2504 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [1,0,0,0,0,0|2,0,0]=3 2505 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [1,0,0,0,0,0|2,0,0]=3 2506 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [1,0,0,0,0,0|1,0,1]=3 2507 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [1,0,0,0,0,0|1,0,1]=3 2508 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [1,0,0,0,0,0|1,0,1]=3 2509 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [1,0,0,0,0,0|2,0,1]=4 2510 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [1,0,0,0,0,0|2,0,1]=4 2511 B10R0.71 CCCCCCCOCC#N 7a_100000210272_100011215382 [1,0,0,0,0,0|2,0,1]=4 2512 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,0,0,0,0,0|1,0,0]=2 2513 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,0,0,0,0,0|1,0,0]=2 2514 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [1,0,0,0,0,0|2,0,0]=3 2515 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,0,0,0,0,0|1,0,1]=3 2516 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,0,0,0,0,0|1,0,1]=3 2517 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,0,0,0,0,0|1,0,1]=3 2518 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [1,0,0,0,0,0|2,0,0]=3 2519 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [1,0,0,0,0,0|2,0,0]=3 2520 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [1,0,0,0,0,0|2,0,0]=3 2521 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [1,0,0,0,0,0|1,0,1]=3 2522 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [1,0,0,0,0,0|1,0,1]=3 2523 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [1,0,0,0,0,0|2,0,1]=4 2524 B10R0.71 CCCCCCCSCC#N 62a_100000210614_100011215382 [1,0,0,0,0,0|2,0,1]=4 2525 B10R0.71 CCCCCCCSCC#N 62a_100011215382_100000210316 [1,0,0,0,0,0|2,0,1]=4 2526 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [1,0,0,0,0,0|1,0,0]=2 2527 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [1,0,0,0,0,0|1,0,0]=2 2528 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [1,0,0,0,0,0|1,0,1]=3 2529 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [1,0,0,0,0,0|1,0,1]=3 2530 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [1,0,0,0,0,0|2,0,0]=3 2531 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [1,0,0,0,0,0|2,0,0]=3 2532 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [1,0,0,0,0,0|1,0,1]=3 2533 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [1,0,0,0,0,0|1,0,1]=3 2534 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [1,0,0,0,0,0|2,0,1]=4 2535 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [1,0,0,0,0,0|2,0,1]=4 2536 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [1,0,0,0,0,0|2,0,1]=4 2537 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [1,0,0,0,0,0|2,0,1]=4 2538 B10R0.71 CCCCCCNCCC#N 2230a_100000210581_100011215226 [1,0,0,0,0,0|2,0,1]=4 2539 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [1,0,0,0,0,0|1,0,1]=3 2540 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [1,0,0,0,0,0|1,0,1]=3 2541 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [1,0,0,0,0,0|1,0,1]=3 2542 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [1,0,0,0,0,0|2,0,0]=3 2543 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [1,0,0,0,0,0|2,0,0]=3 2544 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [1,0,0,0,0,0|2,0,0]=3 2545 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [1,0,0,0,0,0|1,0,1]=3 2546 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [1,0,0,0,0,0|2,0,1]=4 2547 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [1,0,0,0,0,0|2,0,1]=4 2548 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [1,0,0,0,0,0|2,0,1]=4 2549 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [1,0,0,0,0,0|2,0,1]=4 2550 B10R0.71 CCCCCCOCCC#N 7a_100000210259_100000184422 [1,0,0,0,0,0|2,0,1]=4 2551 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [1,0,0,0,0,0|2,0,0]=3 2552 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,0,0,0,0,0|1,0,1]=3 2553 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,0,0,0,0,0|1,0,1]=3 2554 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,0,0,0,0,0|1,0,1]=3 2555 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,0,0,0,0,0|1,0,1]=3 2556 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [1,0,0,0,0,0|2,0,0]=3 2557 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [1,0,0,0,0,0|2,0,0]=3 2558 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [1,0,0,0,0,0|2,0,0]=3 2559 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [1,0,0,0,0,0|2,0,0]=3 2560 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [1,0,0,0,0,0|2,0,0]=3 2561 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [1,0,0,0,0,0|1,0,1]=3 2562 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [1,0,0,0,0,0|1,0,1]=3 2563 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [1,0,0,0,0,0|2,0,1]=4 2564 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [1,0,0,0,0,0|2,0,1]=4 2565 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [1,0,0,0,0,0|2,0,1]=4 2566 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [1,0,0,0,0,0|2,0,1]=4 2567 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [1,0,0,0,0,0|2,0,1]=4 2568 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [1,0,0,0,0,0|3,0,0]=4 2569 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [1,0,0,0,0,0|2,0,1]=4 2570 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [1,0,0,0,0,0|2,0,1]=4 2571 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [1,0,0,0,0,0|2,0,1]=4 2572 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [1,0,0,0,0,0|2,0,1]=4 2573 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [1,0,0,0,0,0|2,0,1]=4 2574 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [1,0,0,0,0,0|2,0,1]=4 2575 B10R0.71 CCCCCCSCCC#N 62a_100000210314_100011215226 [1,0,0,0,0,0|2,0,1]=4 2576 B10R0.71 CCCCCCSCCC#N 62a_100011215226_100000210757 [1,0,0,0,0,0|2,0,1]=4 2577 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [1,0,0,0,0,0|1,0,1]=3 2578 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [1,0,0,0,0,0|1,0,1]=3 2579 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [1,0,0,0,0,0|2,0,0]=3 2580 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [1,0,0,0,0,0|2,0,0]=3 2581 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [1,0,0,0,0,0|1,0,1]=3 2582 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [1,0,0,0,0,0|1,0,1]=3 2583 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [1,0,0,0,0,0|2,0,1]=4 2584 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [1,0,0,0,0,0|2,0,1]=4 2585 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [1,0,0,0,0,0|2,0,1]=4 2586 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [1,0,0,0,0,0|2,0,1]=4 2587 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [1,0,0,0,0,0|2,0,1]=4 2588 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [1,0,0,0,0,0|2,0,1]=4 2589 B10R0.71 CCCCCNCCCC#N 2230a_100000209983_100000687738 [1,0,0,0,0,0|2,0,1]=4 2590 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [1,0,0,0,0,0|1,0,0]=2 2591 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [1,0,0,0,0,0|1,0,1]=3 2592 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [1,0,0,0,0,0|2,0,0]=3 2593 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [1,0,0,0,0,0|1,0,1]=3 2594 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [1,0,0,0,0,0|1,0,1]=3 2595 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [1,0,0,0,0,0|1,0,1]=3 2596 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [1,0,0,0,0,0|2,0,1]=4 2597 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [1,0,0,0,0,0|2,0,1]=4 2598 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [1,0,0,0,0,0|2,0,1]=4 2599 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [1,0,0,0,0,0|2,0,1]=4 2600 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [1,0,0,0,0,0|2,0,1]=4 2601 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [1,0,0,0,0,0|2,0,1]=4 2602 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [1,0,0,0,0,0|2,0,1]=4 2603 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [1,0,0,0,0,0|3,0,0]=4 2604 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [1,0,0,0,0,0|2,0,1]=4 2605 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [1,0,0,0,0,0|2,0,1]=4 2606 B10R0.71 CCCCCOCCCC#N 7a_100000210253_100000687738 [1,0,0,0,0,0|2,0,1]=4 2607 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [1,0,0,0,0,0|1,0,0]=2 2608 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [1,0,0,0,0,0|2,0,0]=3 2609 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [1,0,0,0,0,0|1,0,1]=3 2610 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [1,0,0,0,0,0|1,0,1]=3 2611 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [1,0,0,0,0,0|2,0,0]=3 2612 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [1,0,0,0,0,0|2,0,0]=3 2613 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [1,0,0,0,0,0|2,0,0]=3 2614 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [1,0,0,0,0,0|2,0,0]=3 2615 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [1,0,0,0,0,0|2,0,0]=3 2616 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [1,0,0,0,0,0|2,0,0]=3 2617 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [1,0,0,0,0,0|2,0,0]=3 2618 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [1,0,0,0,0,0|2,0,0]=3 2619 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [1,0,0,0,0,0|1,0,1]=3 2620 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [1,0,0,0,0,0|1,0,1]=3 2621 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [1,0,0,0,0,0|2,0,1]=4 2622 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [1,0,0,0,0,0|2,0,1]=4 2623 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [1,0,0,0,0,0|2,0,1]=4 2624 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [1,0,0,0,0,0|2,0,1]=4 2625 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [1,0,0,0,0,0|2,0,1]=4 2626 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [1,0,0,0,0,0|2,0,1]=4 2627 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [1,0,0,0,0,0|2,0,1]=4 2628 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [1,0,0,0,0,0|2,0,1]=4 2629 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [1,0,0,0,0,0|2,0,1]=4 2630 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [1,0,0,0,0,0|2,0,1]=4 2631 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [1,0,0,0,0,0|2,0,1]=4 2632 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [1,0,0,0,0,0|2,0,1]=4 2633 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [1,0,0,0,0,0|3,0,0]=4 2634 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [1,0,0,0,0,0|3,0,0]=4 2635 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [1,0,0,0,0,0|2,0,1]=4 2636 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [1,0,0,0,0,0|2,0,1]=4 2637 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [1,0,0,0,0,0|2,0,1]=4 2638 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [1,0,0,0,0,0|2,0,1]=4 2639 B10R0.71 CCCCCSCCCC#N 62a_100000210326_100000687738 [1,0,0,0,0,0|2,0,1]=4 2640 B10R0.71 CCCCCSCCCC#N 62a_100000687738_100000210326 [1,0,0,0,0,0|2,0,1]=4 2641 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [1,0,0,0,0,0|1,0,0]=2 2642 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [1,0,0,0,0,0|1,0,0]=2 2643 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [1,0,0,0,0,0|1,0,1]=3 2644 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [1,0,0,0,0,0|2,0,0]=3 2645 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [1,0,0,0,0,0|2,0,0]=3 2646 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [1,0,0,0,0,0|1,0,1]=3 2647 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [1,0,0,0,0,0|1,0,1]=3 2648 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [1,0,0,0,0,0|2,0,1]=4 2649 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [1,0,0,0,0,0|2,0,1]=4 2650 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [1,0,0,0,0,0|2,0,1]=4 2651 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [1,0,0,0,0,0|2,0,1]=4 2652 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [1,0,0,0,0,0|2,0,1]=4 2653 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [1,0,0,0,0,0|2,0,1]=4 2654 B10R0.71 CCCCNCCCCC#N 2230a_100000102301_100000211819 [1,0,0,0,0,0|2,0,1]=4 2655 B10R0.71 CCCCNCCCCC#N 7a_106832991798_100000211819 [1,0,0,0,0,0|2,0,1]=4 2656 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [1,0,0,0,0,0|1,0,0]=2 2657 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [1,0,0,0,0,0|1,0,0]=2 2658 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [1,0,0,0,0,0|2,0,0]=3 2659 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [1,0,0,0,0,0|2,0,0]=3 2660 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [1,0,0,0,0,0|1,0,1]=3 2661 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [1,0,0,0,0,0|1,0,1]=3 2662 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [1,0,0,0,0,0|1,0,1]=3 2663 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [1,0,0,0,0,0|1,0,1]=3 2664 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [1,0,0,0,0,0|2,0,1]=4 2665 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [1,0,0,0,0,0|2,0,1]=4 2666 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [1,0,0,0,0,0|2,0,1]=4 2667 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [1,0,0,0,0,0|2,0,1]=4 2668 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [1,0,0,0,0,0|2,0,1]=4 2669 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [1,0,0,0,0,0|2,0,1]=4 2670 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [1,0,0,0,0,0|2,0,1]=4 2671 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [1,0,0,0,0,0|2,0,1]=4 2672 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [1,0,0,0,0,0|2,0,1]=4 2673 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [1,0,0,0,0,0|2,0,1]=4 2674 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [1,0,0,0,0,0|2,0,1]=4 2675 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [1,0,0,0,0,0|2,0,1]=4 2676 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [1,0,0,0,0,0|2,0,1]=4 2677 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [1,0,0,0,0,0|2,0,1]=4 2678 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [1,0,0,0,0,0|2,0,1]=4 2679 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [1,0,0,0,0,0|2,0,1]=4 2680 B10R0.71 CCCCNCCSCCC 2230a_100020603323_100000210211 [1,0,0,0,0,0|2,0,1]=4 2681 B10R0.71 CCCCNCCSCCO 2230a_100011219999_100000210211 [1,0,0,0,0,0|2,0,1]=4 2682 B10R0.71 CCCCNCOCCCC 2230a_100000102301_100011995733 [1,0,0,0,0,0|2,0,1]=4 2683 B10R0.71 CCCCOCCCCC#N 7a_100000210227_100000211819 [1,0,0,0,0,0|2,0,1]=4 2684 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [1,0,0,0,0,0|1,0,0]=2 2685 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [1,0,0,0,0,0|2,0,0]=3 2686 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [1,0,0,0,0,0|2,0,0]=3 2687 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [1,0,0,0,0,0|2,0,0]=3 2688 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [1,0,0,0,0,0|2,0,0]=3 2689 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [1,0,0,0,0,0|2,0,0]=3 2690 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [1,0,0,0,0,0|2,0,0]=3 2691 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [1,0,0,0,0,0|2,0,0]=3 2692 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [1,0,0,0,0,0|2,0,0]=3 2693 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [1,0,0,0,0,0|2,0,0]=3 2694 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [1,0,0,0,0,0|1,0,1]=3 2695 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [1,0,0,0,0,0|1,0,1]=3 2696 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [1,0,0,0,0,0|2,0,1]=4 2697 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [1,0,0,0,0,0|2,0,1]=4 2698 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [1,0,0,0,0,0|2,0,1]=4 2699 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [1,0,0,0,0,0|2,0,1]=4 2700 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [1,0,0,0,0,0|2,0,1]=4 2701 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [1,0,0,0,0,0|2,0,1]=4 2702 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [1,0,0,0,0,0|2,0,1]=4 2703 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [1,0,0,0,0,0|2,0,1]=4 2704 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [1,0,0,0,0,0|2,0,1]=4 2705 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [1,0,0,0,0,0|2,0,1]=4 2706 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [1,0,0,0,0,0|2,0,1]=4 2707 B10R0.71 CCCCOCCCNCF 34a_200000211371_100015361967 [1,0,0,0,0,0|3,0,0]=4 2708 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [1,0,0,0,0,0|2,0,1]=4 2709 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [1,0,0,0,0,0|2,0,1]=4 2710 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [1,0,0,0,0,0|2,0,1]=4 2711 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [1,0,0,0,0,0|2,0,1]=4 2712 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [1,0,0,0,0,0|2,0,1]=4 2713 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [1,0,0,0,0,0|2,0,1]=4 2714 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [1,0,0,0,0,0|3,0,0]=4 2715 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [1,0,0,0,0,0|3,0,0]=4 2716 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [1,0,0,0,0,0|2,0,1]=4 2717 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [1,0,0,0,0,0|2,0,1]=4 2718 B10R0.71 CCCCOCCNCCF 34a_100000724931_100000743108 [1,0,0,0,0,0|3,0,0]=4 2719 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [1,0,0,0,0,0|2,0,1]=4 2720 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [1,0,0,0,0,0|2,0,1]=4 2721 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [1,0,0,0,0,0|2,0,0]=3 2722 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [1,0,0,0,0,0|2,0,0]=3 2723 B10R0.71 CCCCOCCOCCBr 34a_100000211926_100000743108 [1,0,0,0,0,0|3,0,0]=4 2724 B10R0.71 CCCCOCCOCCBr 34a_100000692535_100000210210 [1,0,0,0,0,0|3,0,0]=4 2725 B10R0.71 CCCCOCCOCCBr 7a_100000692535_100000210211 [1,0,0,0,0,0|3,0,0]=4 2726 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [1,0,0,0,0,0|2,0,1]=4 2727 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [1,0,0,0,0,0|2,0,1]=4 2728 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [1,0,0,0,0,0|2,0,1]=4 2729 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [1,0,0,0,0,0|2,0,1]=4 2730 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [1,0,0,0,0,0|2,0,1]=4 2731 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [1,0,0,0,0,0|2,0,1]=4 2732 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [1,0,0,0,0,0|2,0,1]=4 2733 B10R0.71 CCCCOCCOCCCl 34a_100011215305_100000210210 [1,0,0,0,0,0|3,0,0]=4 2734 B10R0.71 CCCCOCCOCCCl 7a_100011215305_100000210211 [1,0,0,0,0,0|3,0,0]=4 2735 B10R0.71 CCCCOCCOCCF 34a_100000210238_100011217306 [1,0,0,0,0,0|3,0,0]=4 2736 B10R0.71 CCCCOCCOCCF 34a_200015357709_100000210210 [1,0,0,0,0,0|3,0,0]=4 2737 B10R0.71 CCCCOCCOCCF 7a_100000210238_100011217306 [1,0,0,0,0,0|3,0,0]=4 2738 B10R0.71 CCCCOCCOCCF 7a_200015357709_100000210211 [1,0,0,0,0,0|3,0,0]=4 2739 B10R0.71 CCCCOCCOCCI 34a_100012149058_100000210210 [1,0,0,0,0,0|3,0,0]=4 2740 B10R0.71 CCCCOCCOCCI 7a_100012149058_100000210211 [1,0,0,0,0,0|3,0,0]=4 2741 B10R0.71 CCCCOCCOCCN 34a_100000210304_100000743108 [1,0,0,0,0,0|3,0,0]=4 2742 B10R0.71 CCCCOCCOCCN 34a_100000211614_100000210210 [1,0,0,0,0,0|3,0,0]=4 2743 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [1,0,0,0,0,0|2,0,1]=4 2744 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [1,0,0,0,0,0|2,0,1]=4 2745 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [1,0,0,0,0,0|2,0,1]=4 2746 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [1,0,0,0,0,0|2,0,1]=4 2747 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [1,0,0,0,0,0|2,0,0]=3 2748 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [1,0,0,0,0,0|2,0,0]=3 2749 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [1,0,0,0,0,0|2,0,1]=4 2750 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [1,0,0,0,0,0|2,0,1]=4 2751 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [1,0,0,0,0,0|2,0,1]=4 2752 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [1,0,0,0,0,0|2,0,1]=4 2753 B10R0.71 CCCCOCCSCCF 62a_100000743108_100011217306 [1,0,0,0,0,0|3,0,0]=4 2754 B10R0.71 CCCCOCCSCCF 62a_100011217306_100000743108 [1,0,0,0,0,0|3,0,0]=4 2755 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [1,0,0,0,0,0|2,0,1]=4 2756 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [1,0,0,0,0,0|2,0,1]=4 2757 B10R0.71 CCCCOCNCCCF 2230a_100015189416_100011995733 [1,0,0,0,0,0|3,0,0]=4 2758 B10R0.71 CCCCOCNCCCF 34a_100015189416_100011995733 [1,0,0,0,0,0|3,0,0]=4 2759 B10R0.71 CCCCOCOCCCBr 34a_100011217188_100011995733 [1,0,0,0,0,0|3,0,0]=4 2760 B10R0.71 CCCCOCOCCCC 34a_100000210227_100011995733 [1,0,0,0,0,0|2,0,1]=4 2761 B10R0.71 CCCCOCOCCCCl 34a_100000230001_100011995733 [1,0,0,0,0,0|3,0,0]=4 2762 B10R0.71 CCCCOCOCCCF 34a_100000759539_100011995733 [1,0,0,0,0,0|3,0,0]=4 2763 B10R0.71 CCCCOCOCCCN 34a_100000182051_100011995733 [1,0,0,0,0,0|3,0,0]=4 2764 B10R0.71 CCCCOCSCCCC 62a_100000210211_100011995733 [1,0,0,0,0,0|2,0,1]=4 2765 B10R0.71 CCCCOCSCCCC 62a_100011995733_100000210210 [1,0,0,0,0,0|2,0,1]=4 2766 B10R0.71 CCCCOCSCCCF 62a_100011934791_100011995733 [1,0,0,0,0,0|3,0,0]=4 2767 B10R0.71 CCCCOCSCCCF 62a_100011995733_100011934791 [1,0,0,0,0,0|3,0,0]=4 2768 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [1,0,0,0,0,0|2,0,1]=4 2769 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [1,0,0,0,0,0|2,0,1]=4 2770 B10R0.71 CCCCSCCCCC#N 62a_100000210211_100000211819 [1,0,0,0,0,0|2,0,1]=4 2771 B10R0.71 CCCCSCCCCC#N 62a_100011219923_100000210210 [1,0,0,0,0,0|2,0,1]=4 2772 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [1,0,0,0,0,0|1,0,0]=2 2773 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [1,0,0,0,0,0|1,0,0]=2 2774 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [1,0,0,0,0,0|2,0,0]=3 2775 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [1,0,0,0,0,0|2,0,0]=3 2776 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [1,0,0,0,0,0|1,0,1]=3 2777 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [1,0,0,0,0,0|1,0,1]=3 2778 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [1,0,0,0,0,0|2,0,1]=4 2779 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [1,0,0,0,0,0|2,0,1]=4 2780 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [1,0,0,0,0,0|2,0,1]=4 2781 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [1,0,0,0,0,0|2,0,1]=4 2782 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [1,0,0,0,0,0|2,0,0]=3 2783 B10R0.71 CCCCSCCNCCC 2230a_100025743550_100000210303 [1,0,0,0,0,0|2,0,1]=4 2784 B10R0.71 CCCCSCCNCCF 2230a_100025743550_100011217306 [1,0,0,0,0,0|3,0,0]=4 2785 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [1,0,0,0,0,0|2,0,1]=4 2786 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [1,0,0,0,0,0|2,0,0]=3 2787 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [1,0,0,0,0,0|2,0,0]=3 2788 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [1,0,0,0,0,0|2,0,1]=4 2789 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [1,0,0,0,0,0|2,0,1]=4 2790 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [1,0,0,0,0,0|2,0,1]=4 2791 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [1,0,0,0,0,0|2,0,1]=4 2792 B10R0.71 CCCCSCCOCCF 34a_200000230436_100011217306 [1,0,0,0,0,0|3,0,0]=4 2793 B10R0.71 CCCCSCCOCCF 7a_200000230436_100011217306 [1,0,0,0,0,0|3,0,0]=4 2794 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [1,0,0,0,0,0|2,0,1]=4 2795 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [1,0,0,0,0,0|2,0,1]=4 2796 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [1,0,0,0,0,0|2,0,1]=4 2797 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [1,0,0,0,0,0|2,0,1]=4 2798 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [1,0,0,0,0,0|1,0,1]=3 2799 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [1,0,0,0,0,0|1,0,1]=3 2800 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [1,0,0,0,0,0|2,0,1]=4 2801 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [1,0,0,0,0,0|2,0,1]=4 2802 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [1,0,0,0,0,0|2,0,1]=4 2803 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [1,0,0,0,0,0|2,0,1]=4 2804 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [1,0,0,0,0,0|2,0,0]=3 2805 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [1,0,0,0,0,0|2,0,0]=3 2806 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [1,0,0,0,0,0|2,0,0]=3 2807 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [1,0,0,0,0,0|2,0,0]=3 2808 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [1,0,0,0,0,0|2,0,0]=3 2809 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [1,0,0,0,0,0|2,0,0]=3 2810 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [1,0,0,0,0,0|2,0,0]=3 2811 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [1,0,0,0,0,0|2,0,0]=3 2812 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [1,0,0,0,0,0|1,0,1]=3 2813 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [1,0,0,0,0,0|2,0,1]=4 2814 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [1,0,0,0,0,0|2,0,0]=3 2815 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [1,0,0,0,0,0|2,0,0]=3 2816 B10R0.71 CCCOCCCNCCF 2230a_100011217757_100011217306 [1,0,0,0,0,0|3,0,0]=4 2817 B10R0.71 CCCOCCCNCCF 34a_100011217757_100011217306 [1,0,0,0,0,0|3,0,0]=4 2818 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [1,0,0,0,0,0|2,0,1]=4 2819 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [1,0,0,0,0,0|2,0,1]=4 2820 B10R0.71 CCCOCCNCCCF 2230a_100015189416_100011215938 [1,0,0,0,0,0|3,0,0]=4 2821 B10R0.71 CCCOCCNCCCF 2230a_100161115042_100011934791 [1,0,0,0,0,0|3,0,0]=4 2822 B10R0.71 CCCOCCNCCCF 34a_100015189416_100011215938 [1,0,0,0,0,0|3,0,0]=4 2823 B10R0.71 CCCOCCNCCCF 34a_100161115042_100011934791 [1,0,0,0,0,0|3,0,0]=4 2824 B10R0.71 CCCOCCNCCCO 2230a_100161115042_100000230001 [1,0,0,0,0,0|2,0,1]=4 2825 B10R0.71 CCCOCCNCCCO 34a_100161115042_100000230001 [1,0,0,0,0,0|2,0,1]=4 2826 B10R0.71 CCCOCCOCCCBr 34a_100011217188_100011215938 [1,0,0,0,0,0|3,0,0]=4 2827 B10R0.71 CCCOCCOCCCCl 34a_100000230001_100011215938 [1,0,0,0,0,0|3,0,0]=4 2828 B10R0.71 CCCOCCOCCCF 34a_100000752267_100011934791 [1,0,0,0,0,0|3,0,0]=4 2829 B10R0.71 CCCOCCOCCCF 34a_100000759539_100011215938 [1,0,0,0,0,0|3,0,0]=4 2830 B10R0.71 CCCOCCOCCCF 7a_100000752267_100011934791 [1,0,0,0,0,0|3,0,0]=4 2831 B10R0.71 CCCOCCOCCCN 34a_100000182051_100011215938 [1,0,0,0,0,0|3,0,0]=4 2832 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [1,0,0,0,0,0|2,0,1]=4 2833 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [1,0,0,0,0,0|2,0,1]=4 2834 B10R0.71 CCCOCCSCCCF 62a_100011215938_100011934791 [1,0,0,0,0,0|3,0,0]=4 2835 B10R0.71 CCCOCCSCCCF 62a_100011934791_100011215938 [1,0,0,0,0,0|3,0,0]=4 2836 B10R0.71 CCCOCCSCCCO 62a_100011215043_100011215938 [1,0,0,0,0,0|2,0,1]=4 2837 B10R0.71 CCCOCCSCCCO 62a_100011215938_100011215043 [1,0,0,0,0,0|2,0,1]=4 2838 B10R0.71 CCCSCCCCCC#N 62a_100000210303_100009813376 [1,0,0,0,0,0|2,0,1]=4 2839 B10R0.71 CCCSCCCCCC#N 62a_100009813376_100000210303 [1,0,0,0,0,0|2,0,1]=4 2840 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [1,0,0,0,0,0|1,0,0]=2 2841 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [1,0,0,0,0,0|1,0,0]=2 2842 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [1,0,0,0,0,0|2,0,0]=3 2843 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [1,0,0,0,0,0|2,0,0]=3 2844 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [1,0,0,0,0,0|1,0,1]=3 2845 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [1,0,0,0,0,0|1,0,1]=3 2846 B10R0.71 CCCSCCNCCCF 2230a_100020603323_100011934791 [1,0,0,0,0,0|3,0,0]=4 2847 B10R0.71 CCCSCCNCCCO 2230a_100020603323_100000230001 [1,0,0,0,0,0|2,0,1]=4 2848 B10R0.71 CCCSCCOCCCF 34a_200000230433_100011934791 [1,0,0,0,0,0|3,0,0]=4 2849 B10R0.71 CCCSCCOCCCF 7a_200000230433_100011934791 [1,0,0,0,0,0|3,0,0]=4 2850 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [1,0,0,0,0,0|2,0,1]=4 2851 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [1,0,0,0,0,0|2,0,1]=4 2852 B10R0.71 CCNCCCCCCC#N 2230a_100015525214_100009813337 [1,0,0,0,0,0|2,0,1]=4 2853 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [1,0,0,0,0,0|1,0,1]=3 2854 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [1,0,0,0,0,0|1,0,1]=3 2855 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [1,0,0,0,0,0|1,0,1]=3 2856 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [1,0,0,0,0,0|2,0,1]=4 2857 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [1,0,0,0,0,0|2,0,1]=4 2858 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [1,0,0,0,0,0|2,0,1]=4 2859 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [1,0,0,0,0,0|2,0,0]=3 2860 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [1,0,0,0,0,0|2,0,0]=3 2861 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [1,0,0,0,0,0|2,0,0]=3 2862 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [1,0,0,0,0,0|1,0,1]=3 2863 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [1,0,0,0,0,0|2,0,1]=4 2864 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [1,0,0,0,0,0|2,0,1]=4 2865 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [1,0,0,0,0,0|2,0,1]=4 2866 B10R0.71 CCOCCCNCCCF 2230a_100000210961_100011934791 [1,0,0,0,0,0|3,0,0]=4 2867 B10R0.71 CCOCCCNCCCF 2230a_100015189416_100012232248 [1,0,0,0,0,0|3,0,0]=4 2868 B10R0.71 CCOCCCNCCCF 34a_100000210961_100011934791 [1,0,0,0,0,0|3,0,0]=4 2869 B10R0.71 CCOCCCNCCCF 34a_100015189416_100012232248 [1,0,0,0,0,0|3,0,0]=4 2870 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [1,0,0,0,0,0|2,0,1]=4 2871 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [1,0,0,0,0,0|2,0,1]=4 2872 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [1,0,0,0,0,0|3,0,0]=4 2873 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [1,0,0,0,0,0|3,0,0]=4 2874 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [1,0,0,0,0,0|3,0,0]=4 2875 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [1,0,0,0,0,0|3,0,0]=4 2876 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [1,0,0,0,0,0|3,0,0]=4 2877 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [1,0,0,0,0,0|3,0,0]=4 2878 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [1,0,0,0,0,0|3,0,0]=4 2879 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [1,0,0,0,0,0|2,0,1]=4 2880 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [1,0,0,0,0,0|2,0,1]=4 2881 B10R0.71 CCOCCCSCCCF 62a_100011934791_100012232248 [1,0,0,0,0,0|3,0,0]=4 2882 B10R0.71 CCOCCCSCCCF 62a_100012232248_100011934791 [1,0,0,0,0,0|3,0,0]=4 2883 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [1,0,0,0,0,0|2,0,1]=4 2884 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [1,0,0,0,0,0|2,0,1]=4 2885 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [1,0,0,0,0,0|2,0,0]=3 2886 B10R0.71 CCOCCNCCCCF 2230a_102516460346_100000729493 [1,0,0,0,0,0|3,0,0]=4 2887 B10R0.71 CCOCCNCCCCF 34a_102516460346_100000729493 [1,0,0,0,0,0|3,0,0]=4 2888 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [1,0,0,0,0,0|2,0,1]=4 2889 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [1,0,0,0,0,0|2,0,1]=4 2890 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [1,0,0,0,0,0|2,0,1]=4 2891 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [1,0,0,0,0,0|2,0,1]=4 2892 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [1,0,0,0,0,0|2,0,0]=3 2893 B10R0.71 CCOCCOCCCCBr 34a_100011216708_100000210147 [1,0,0,0,0,0|3,0,0]=4 2894 B10R0.71 CCOCCOCCCCCl 34a_100000210776_100000210147 [1,0,0,0,0,0|3,0,0]=4 2895 B10R0.71 CCOCCOCCCCCl 7a_100000210776_100011215890 [1,0,0,0,0,0|3,0,0]=4 2896 B10R0.71 CCOCCOCCCCF 34a_100000210136_100000729493 [1,0,0,0,0,0|3,0,0]=4 2897 B10R0.71 CCOCCOCCCCF 34a_100011995726_100000210147 [1,0,0,0,0,0|3,0,0]=4 2898 B10R0.71 CCOCCOCCCCF 7a_100000210136_100000729493 [1,0,0,0,0,0|3,0,0]=4 2899 B10R0.71 CCOCCOCCCCF 7a_100011995726_100011215890 [1,0,0,0,0,0|3,0,0]=4 2900 B10R0.71 CCOCCOCCCCI 34a_200012148704_100000210147 [1,0,0,0,0,0|3,0,0]=4 2901 B10R0.71 CCOCCOCCCCN 34a_100000750430_100000210147 [1,0,0,0,0,0|3,0,0]=4 2902 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [1,0,0,0,0,0|2,0,1]=4 2903 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [1,0,0,0,0,0|2,0,1]=4 2904 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [1,0,0,0,0,0|2,0,0]=3 2905 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [1,0,0,0,0,0|2,0,0]=3 2906 B10R0.71 CCOCCSCCCCF 62a_100000210147_100000729493 [1,0,0,0,0,0|3,0,0]=4 2907 B10R0.71 CCOCCSCCCCF 62a_100000729493_100011215890 [1,0,0,0,0,0|3,0,0]=4 2908 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [1,0,0,0,0,0|2,0,1]=4 2909 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [1,0,0,0,0,0|2,0,1]=4 2910 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [1,0,0,0,0,0|2,0,0]=3 2911 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [1,0,0,0,0,0|2,0,0]=3 2912 B10R0.71 CCOCSCCCCCF 62a_100000729378_100000739092 [1,0,0,0,0,0|3,0,0]=4 2913 B10R0.71 CCOCSCCCCCF 62a_100000739092_100000729378 [1,0,0,0,0,0|3,0,0]=4 2914 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [1,0,0,0,0,0|2,0,1]=4 2915 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [1,0,0,0,0,0|2,0,1]=4 2916 B10R0.71 CCSCCCCCCC#N 62a_100000210202_100009813337 [1,0,0,0,0,0|2,0,1]=4 2917 B10R0.71 CCSCCCCCCC#N 62a_100009813337_100000210202 [1,0,0,0,0,0|2,0,1]=4 2918 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [1,0,0,0,0,0|1,0,1]=3 2919 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [1,0,0,0,0,0|1,0,1]=3 2920 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [1,0,0,0,0,0|2,0,1]=4 2921 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [1,0,0,0,0,0|2,0,1]=4 2922 B10R0.71 CCSCCCOCCCF 34a_100011216438_100011934791 [1,0,0,0,0,0|3,0,0]=4 2923 B10R0.71 CCSCCCOCCCF 7a_100011216438_100011934791 [1,0,0,0,0,0|3,0,0]=4 2924 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [1,0,0,0,0,0|2,0,1]=4 2925 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [1,0,0,0,0,0|2,0,1]=4 2926 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [1,0,0,0,0,0|2,0,0]=3 2927 B10R0.71 CCSCCNCCCCF 2230a_100000106463_100000729493 [1,0,0,0,0,0|3,0,0]=4 2928 B10R0.71 CCSCCNCCCCO 2230a_100000106463_100000210776 [1,0,0,0,0,0|2,0,1]=4 2929 B10R0.71 CCSCCNCCCCO 2230a_100000750430_100000757381 [1,0,0,0,0,0|2,0,1]=4 2930 B10R0.71 CCSCCNCCCCO 34a_100000750430_100000757381 [1,0,0,0,0,0|2,0,1]=4 2931 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [1,0,0,0,0,0|2,0,0]=3 2932 B10R0.71 CCSCCOCCCCBr 34a_100011216708_100000757381 [1,0,0,0,0,0|3,0,0]=4 2933 B10R0.71 CCSCCOCCCCCl 34a_100000210776_100000757381 [1,0,0,0,0,0|3,0,0]=4 2934 B10R0.71 CCSCCOCCCCCl 7a_100000210776_100000757381 [1,0,0,0,0,0|3,0,0]=4 2935 B10R0.71 CCSCCOCCCCF 34a_100000212035_100000729493 [1,0,0,0,0,0|3,0,0]=4 2936 B10R0.71 CCSCCOCCCCF 34a_100011995726_100000757381 [1,0,0,0,0,0|3,0,0]=4 2937 B10R0.71 CCSCCOCCCCF 7a_100000212035_100000729493 [1,0,0,0,0,0|3,0,0]=4 2938 B10R0.71 CCSCCOCCCCF 7a_100011995726_100000757381 [1,0,0,0,0,0|3,0,0]=4 2939 B10R0.71 CCSCCOCCCCI 34a_200012148704_100000757381 [1,0,0,0,0,0|3,0,0]=4 2940 B10R0.71 CCSCCOCCCCN 34a_100000750430_100000757381 [1,0,0,0,0,0|3,0,0]=4 2941 B10R0.71 CCSCCOCCCCO 34a_100000212035_100011216708 [1,0,0,0,0,0|2,0,1]=4 2942 B10R0.71 CCSCCOCCCCO 7a_100000212035_100000210776 [1,0,0,0,0,0|2,0,1]=4 2943 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [1,0,0,0,0,0|2,0,0]=3 2944 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [1,0,0,0,0,0|2,0,0]=3 2945 B10R0.71 CCSCCSCCCCF 62a_100000729493_100000757381 [1,0,0,0,0,0|3,0,0]=4 2946 B10R0.71 CCSCCSCCCCF 62a_100000757381_100000729493 [1,0,0,0,0,0|3,0,0]=4 2947 B10R0.71 CCSCCSCCCCO 62a_100000210776_100000757381 [1,0,0,0,0,0|2,0,1]=4 2948 B10R0.71 CCSCCSCCCCO 62a_100000757381_100000210776 [1,0,0,0,0,0|2,0,1]=4 2949 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [1,0,0,0,0,0|1,0,1]=3 2950 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [1,0,0,0,0,0|1,0,1]=3 2951 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [1,0,0,0,0,0|1,0,1]=3 2952 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [1,0,0,0,0,0|1,0,1]=3 2953 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [1,0,0,0,0,0|1,0,1]=3 2954 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [1,0,0,0,0,0|2,0,0]=3 2955 B10R0.71 CNCCCCCOCCF 34a_100000722520_100011217306 [1,0,0,0,0,0|3,0,0]=4 2956 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [1,0,0,0,0,0|2,0,1]=4 2957 B10R0.71 CNCCCOCCCCF 34a_100000213112_100000729493 [1,0,0,0,0,0|3,0,0]=4 2958 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [1,0,0,0,0,0|2,0,1]=4 2959 B10R0.71 CNCCOCCOCC=O 34a_100000228057_200009817547 [1,0,0,0,0,0|3,0,0]=4 2960 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [1,0,0,0,0,0|2,0,0]=3 2961 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [1,0,0,0,0,0|2,0,0]=3 2962 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [1,0,0,0,0,0|2,0,0]=3 2963 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [1,0,0,0,0,0|2,0,0]=3 2964 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [1,0,0,0,0,0|2,0,0]=3 2965 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [1,0,0,0,0,0|1,0,1]=3 2966 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [1,0,0,0,0,0|3,0,0]=4 2967 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [1,0,0,0,0,0|3,0,0]=4 2968 B10R0.71 COCCCCCCSCF 62a_100011998445_100015361967 [1,0,0,0,0,0|3,0,0]=4 2969 B10R0.71 COCCCCCCSCF 62a_100015361967_100011998445 [1,0,0,0,0,0|3,0,0]=4 2970 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [1,0,0,0,0,0|2,0,0]=3 2971 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [1,0,0,0,0,0|2,0,0]=3 2972 B10R0.71 COCCCCCNCCF 2230a_100000747528_100011217306 [1,0,0,0,0,0|3,0,0]=4 2973 B10R0.71 COCCCCCNCCF 34a_100000747528_100011217306 [1,0,0,0,0,0|3,0,0]=4 2974 B10R0.71 COCCCCCNCCN 34a_103619048469_200000210301 [1,0,0,0,0,0|3,0,0]=4 2975 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [1,0,0,0,0,0|2,0,1]=4 2976 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [1,0,0,0,0,0|2,0,1]=4 2977 B10R0.71 COCCCCNCCCF 2230a_100015189416_100000730899 [1,0,0,0,0,0|3,0,0]=4 2978 B10R0.71 COCCCCNCCCF 34a_100015189416_100000755781 [1,0,0,0,0,0|3,0,0]=4 2979 B10R0.71 COCCCCOCCCBr 34a_100011217188_100000755781 [1,0,0,0,0,0|3,0,0]=4 2980 B10R0.71 COCCCCOCCCCl 34a_100000230001_100000755781 [1,0,0,0,0,0|3,0,0]=4 2981 B10R0.71 COCCCCOCCCF 34a_100000740925_100011934791 [1,0,0,0,0,0|3,0,0]=4 2982 B10R0.71 COCCCCOCCCF 34a_100000759539_100000755781 [1,0,0,0,0,0|3,0,0]=4 2983 B10R0.71 COCCCCOCCCN 34a_100000182051_100000755781 [1,0,0,0,0,0|3,0,0]=4 2984 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [1,0,0,0,0,0|2,0,1]=4 2985 B10R0.71 COCCCCSCCCF 62a_100000730899_100011934791 [1,0,0,0,0,0|3,0,0]=4 2986 B10R0.71 COCCCCSCCCF 62a_100011934791_100000730899 [1,0,0,0,0,0|3,0,0]=4 2987 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [1,0,0,0,0,0|2,0,1]=4 2988 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [1,0,0,0,0,0|2,0,1]=4 2989 B10R0.71 COCCCNCCCCF 34a_100150723488_100000729493 [1,0,0,0,0,0|3,0,0]=4 2990 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [1,0,0,0,0,0|2,0,1]=4 2991 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [1,0,0,0,0,0|2,0,1]=4 2992 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [1,0,0,0,0,0|2,0,1]=4 2993 B10R0.71 COCCCOCCCCBr 34a_100011216708_100000740836 [1,0,0,0,0,0|3,0,0]=4 2994 B10R0.71 COCCCOCCCCCl 34a_100000210776_100000740836 [1,0,0,0,0,0|3,0,0]=4 2995 B10R0.71 COCCCOCCCCCl 7a_100000210776_100000740836 [1,0,0,0,0,0|3,0,0]=4 2996 B10R0.71 COCCCOCCCCF 34a_100000740835_100000729493 [1,0,0,0,0,0|3,0,0]=4 2997 B10R0.71 COCCCOCCCCF 34a_100011995726_100000740836 [1,0,0,0,0,0|3,0,0]=4 2998 B10R0.71 COCCCOCCCCF 7a_100011995726_100000740836 [1,0,0,0,0,0|3,0,0]=4 2999 B10R0.71 COCCCOCCCCI 34a_200012148704_100000740836 [1,0,0,0,0,0|3,0,0]=4 3000 B10R0.71 COCCCOCCCCN 34a_100000750430_100000740836 [1,0,0,0,0,0|3,0,0]=4 3001 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [1,0,0,0,0,0|2,0,1]=4 3002 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [1,0,0,0,0,0|2,0,0]=3 3003 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [1,0,0,0,0,0|2,0,0]=3 3004 B10R0.71 COCCCSCCCCF 62a_100000709357_100000729493 [1,0,0,0,0,0|3,0,0]=4 3005 B10R0.71 COCCCSCCCCF 62a_100000729493_100000709357 [1,0,0,0,0,0|3,0,0]=4 3006 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [1,0,0,0,0,0|2,0,1]=4 3007 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [1,0,0,0,0,0|2,0,1]=4 3008 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [1,0,0,0,0,0|2,0,0]=3 3009 B10R0.71 COCCNCCCCCF 2230a_100000209980_100000729378 [1,0,0,0,0,0|3,0,0]=4 3010 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [1,0,0,0,0,0|2,0,1]=4 3011 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [1,0,0,0,0,0|2,0,1]=4 3012 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [1,0,0,0,0,0|2,0,1]=4 3013 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [1,0,0,0,0,0|3,0,0]=4 3014 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [1,0,0,0,0,0|3,0,0]=4 3015 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [1,0,0,0,0,0|3,0,0]=4 3016 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [1,0,0,0,0,0|3,0,0]=4 3017 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [1,0,0,0,0,0|3,0,0]=4 3018 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [1,0,0,0,0,0|3,0,0]=4 3019 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [1,0,0,0,0,0|3,0,0]=4 3020 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [1,0,0,0,0,0|3,0,0]=4 3021 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [1,0,0,0,0,0|2,0,1]=4 3022 B10R0.71 COCCOCCNCC=O 2230a_100000745349_200015260668 [1,0,0,0,0,0|3,0,0]=4 3023 B10R0.71 COCCOCCNCC=O 34a_100000745349_200009817547 [1,0,0,0,0,0|3,0,0]=4 3024 B10R0.71 COCCOCCOCC=O 34a_100011215163_200009817547 [1,0,0,0,0,0|3,0,0]=4 3025 B10R0.71 COCCOCCOCC=O 7a_100011215163_200015260668 [1,0,0,0,0,0|3,0,0]=4 3026 B10R0.71 COCCOCCSCC=O 62a_100000695917_200015260668 [1,0,0,0,0,0|3,0,0]=4 3027 B10R0.71 COCCOCCSCC=O 62a_200015260668_100000695917 [1,0,0,0,0,0|3,0,0]=4 3028 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [1,0,0,0,0,0|2,0,0]=3 3029 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [1,0,0,0,0,0|2,0,0]=3 3030 B10R0.71 COCCSCCCCCF 62a_100000233755_100000729378 [1,0,0,0,0,0|3,0,0]=4 3031 B10R0.71 COCCSCCCCCF 62a_100000729378_100000233755 [1,0,0,0,0,0|3,0,0]=4 3032 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [1,0,0,0,0,0|2,0,1]=4 3033 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [1,0,0,0,0,0|2,0,1]=4 3034 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [1,0,0,0,0,0|2,0,1]=4 3035 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [1,0,0,0,0,0|2,0,0]=3 3036 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [1,0,0,0,0,0|2,0,0]=3 3037 B10R0.71 COCSCCCCCCF 62a_100000766300_100015922095 [1,0,0,0,0,0|3,0,0]=4 3038 B10R0.71 COCSCCCCCCF 62a_100015922095_100000766300 [1,0,0,0,0,0|3,0,0]=4 3039 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [1,0,0,0,0,0|2,0,1]=4 3040 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [1,0,0,0,0,0|2,0,1]=4 3041 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [1,0,0,0,0,0|1,0,1]=3 3042 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [1,0,0,0,0,0|1,0,1]=3 3043 B10R0.71 CSCCCCOCCCF 34a_100011217163_100011934791 [1,0,0,0,0,0|3,0,0]=4 3044 B10R0.71 CSCCCCOCCCF 7a_100011217163_100011934791 [1,0,0,0,0,0|3,0,0]=4 3045 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [1,0,0,0,0,0|2,0,1]=4 3046 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [1,0,0,0,0,0|2,0,1]=4 3047 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [1,0,0,0,0,0|2,0,0]=3 3048 B10R0.71 CSCCCNCCCCF 2230a_100000749238_100000729493 [1,0,0,0,0,0|3,0,0]=4 3049 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [1,0,0,0,0,0|2,0,1]=4 3050 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [1,0,0,0,0,0|2,0,0]=3 3051 B10R0.71 CSCCCOCCCCF 34a_100000690336_100000729493 [1,0,0,0,0,0|3,0,0]=4 3052 B10R0.71 CSCCCOCCCCF 7a_100000690336_100000729493 [1,0,0,0,0,0|3,0,0]=4 3053 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [1,0,0,0,0,0|2,0,1]=4 3054 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [1,0,0,0,0,0|2,0,1]=4 3055 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [1,0,0,0,0,0|2,0,0]=3 3056 B10R0.71 CSCCNCCCCCF 2230a_100020590264_100000729378 [1,0,0,0,0,0|3,0,0]=4 3057 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [1,0,0,0,0,0|2,0,1]=4 3058 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [1,0,0,0,0,0|2,0,1]=4 3059 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [1,0,0,0,0,0|2,0,1]=4 3060 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [1,0,0,0,0,0|2,0,0]=3 3061 B10R0.71 CSCCOCCCCCBr 34a_100000746331_100000212216 [1,0,0,0,0,0|3,0,0]=4 3062 B10R0.71 CSCCOCCCCCBr 7a_100000746331_100000212216 [1,0,0,0,0,0|3,0,0]=4 3063 B10R0.71 CSCCOCCCCCCl 34a_100000746330_100000212216 [1,0,0,0,0,0|3,0,0]=4 3064 B10R0.71 CSCCOCCCCCCl 7a_100000746330_100000212216 [1,0,0,0,0,0|3,0,0]=4 3065 B10R0.71 CSCCOCCCCCF 34a_100000230434_100000729378 [1,0,0,0,0,0|3,0,0]=4 3066 B10R0.71 CSCCOCCCCCF 7a_100000230434_100000729378 [1,0,0,0,0,0|3,0,0]=4 3067 B10R0.71 CSCCOCCCCCI 34a_200012148887_100000212216 [1,0,0,0,0,0|3,0,0]=4 3068 B10R0.71 CSCCOCCCCCI 7a_200012148887_100000212216 [1,0,0,0,0,0|3,0,0]=4 3069 B10R0.71 CSCCOCCCCCN 34a_100000762737_100000212216 [1,0,0,0,0,0|3,0,0]=4 3070 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [1,0,0,0,0,0|2,0,1]=4 3071 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [1,0,0,0,0,0|2,0,1]=4 3072 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [1,0,0,0,0,0|2,0,0]=3 3073 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [1,0,0,0,0,0|2,0,0]=3 3074 B10R0.71 CSCCSCCCCCF 62a_100000212216_100000729378 [1,0,0,0,0,0|3,0,0]=4 3075 B10R0.71 CSCCSCCCCCF 62a_100000729378_100000751147 [1,0,0,0,0,0|3,0,0]=4 3076 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [1,0,0,0,0,0|2,0,1]=4 3077 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [1,0,0,0,0,0|2,0,1]=4 3078 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [1,0,0,0,0,0|2,0,1]=4 3079 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [1,0,0,0,0,0|2,0,1]=4 3080 B10R0.71 CSCOCCCCCCBr 34a_100011215345_100011218213 [1,0,0,0,0,0|3,0,0]=4 3081 B10R0.71 CSCOCCCCCCCl 34a_100000766143_100011218213 [1,0,0,0,0,0|3,0,0]=4 3082 B10R0.71 CSCOCCCCCCF 34a_100000732779_100011218213 [1,0,0,0,0,0|3,0,0]=4 3083 B10R0.71 CSCOCCCCCCN 34a_100000686447_100011218213 [1,0,0,0,0,0|3,0,0]=4 3084 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [1,0,0,0,0,0|2,0,0]=3 3085 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [1,0,0,0,0,0|2,0,0]=3 3086 B10R0.71 CSCSCCCCCCF 62a_100011218213_100015922095 [1,0,0,0,0,0|3,0,0]=4 3087 B10R0.71 CSCSCCCCCCF 62a_100015922095_100011218213 [1,0,0,0,0,0|3,0,0]=4 3088 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [1,0,0,0,0,0|2,0,1]=4 3089 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [1,0,0,0,0,0|2,0,1]=4 3090 B10R0.71 FCCCCCCNCCF 34a_100000724931_100015922095 [1,0,0,0,0,0|3,0,0]=4 3091 B10R0.71 FCCCCCCOCCBr 34a_100000211926_100015922095 [1,0,0,0,0,0|3,0,0]=4 3092 B10R0.71 FCCCCCCOCCF 34a_100000732779_100011217306 [1,0,0,0,0,0|3,0,0]=4 3093 B10R0.71 FCCCCCCOCCF 7a_100000732779_100011217306 [1,0,0,0,0,0|3,0,0]=4 3094 B10R0.71 FCCCCCCSCCF 62a_100011217306_100015922095 [1,0,0,0,0,0|3,0,0]=4 3095 B10R0.71 FCCCCCCSCCF 62a_100015922095_100011217306 [1,0,0,0,0,0|3,0,0]=4 3096 B10R0.71 FCCCCCNCCCF 2230a_100015189416_100000729378 [1,0,0,0,0,0|3,0,0]=4 3097 B10R0.71 FCCCCCNCCCF 34a_100015189416_100000729378 [1,0,0,0,0,0|3,0,0]=4 3098 B10R0.71 FCCCCCOCCCBr 34a_100011217188_100000729378 [1,0,0,0,0,0|3,0,0]=4 3099 B10R0.71 FCCCCCOCCCCl 34a_100000230001_100000729378 [1,0,0,0,0,0|3,0,0]=4 3100 B10R0.71 FCCCCCOCCCF 34a_100000759539_100000729378 [1,0,0,0,0,0|3,0,0]=4 3101 B10R0.71 FCCCCCSCCCF 62a_100000729378_100011934791 [1,0,0,0,0,0|3,0,0]=4 3102 B10R0.71 FCCCCCSCCCF 62a_100011934791_100000729378 [1,0,0,0,0,0|3,0,0]=4 3103 B10R0.71 FCCCCOCCCCBr 34a_100011216708_100000729493 [1,0,0,0,0,0|3,0,0]=4 3104 B10R0.71 FCCCCOCCCCCl 34a_100000210776_100000729493 [1,0,0,0,0,0|3,0,0]=4 3105 B10R0.71 FCCCCOCCCCCl 7a_100000210776_100000729493 [1,0,0,0,0,0|3,0,0]=4 3106 B10R0.71 FCCCCOCCCCF 34a_100011995726_100000729493 [1,0,0,0,0,0|3,0,0]=4 3107 B10R0.71 FCCCCOCCCCF 7a_100011995726_100000729493 [1,0,0,0,0,0|3,0,0]=4 3108 B10R0.71 FCCCCOCCCCI 34a_200012148704_100000729493 [1,0,0,0,0,0|3,0,0]=4 3109 B10R0.71 FCCCCSCCCCF 62a_100000729493_100000729493 [1,0,0,0,0,0|3,0,0]=4 3110 B10R0.71 FCCCOCCCCCBr 34a_100000746331_100011934791 [1,0,0,0,0,0|3,0,0]=4 3111 B10R0.71 FCCCOCCCCCBr 7a_100000746331_100011934791 [1,0,0,0,0,0|3,0,0]=4 3112 B10R0.71 FCCCOCCCCCCl 34a_100000746330_100011934791 [1,0,0,0,0,0|3,0,0]=4 3113 B10R0.71 FCCCOCCCCCCl 7a_100000746330_100011934791 [1,0,0,0,0,0|3,0,0]=4 3114 B10R0.71 FCCCOCCCCCI 34a_200012148887_100011934791 [1,0,0,0,0,0|3,0,0]=4 3115 B10R0.71 FCCCOCCCCCI 7a_200012148887_100011934791 [1,0,0,0,0,0|3,0,0]=4 3116 B10R0.71 FCCOCCCCCCBr 34a_100011215345_100011217306 [1,0,0,0,0,0|3,0,0]=4 3117 B10R0.71 FCCOCCCCCCBr 7a_100011215345_100011217306 [1,0,0,0,0,0|3,0,0]=4 3118 B10R0.71 FCCOCCCCCCCl 34a_100000766143_100011217306 [1,0,0,0,0,0|3,0,0]=4 3119 B10R0.71 FCCOCCCCCCCl 7a_100000766143_100011217306 [1,0,0,0,0,0|3,0,0]=4 3120 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [1,0,0,0,0,0|3,0,0]=4 3121 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [1,0,0,0,0,0|3,0,0]=4 3122 B10R0.71 N#CCCCCCSCC=O 62a_100009813376_200015260668 [1,0,0,0,0,0|2,0,1]=4 3123 B10R0.71 N#CCCCCCSCC=O 62a_200015260668_100009813376 [1,0,0,0,0,0|2,0,1]=4 3124 B10R0.71 N#CCCCSCCCC=O 62a_100000687738_200011292268 [1,0,0,0,0,0|2,0,1]=4 3125 B10R0.71 N#CCCCSCCCC=O 62a_200011292268_100000687738 [1,0,0,0,0,0|2,0,1]=4 3126 B10R0.71 N#CCCSCCCCC=O 62a_100000139335_100011215226 [1,0,0,0,0,0|2,0,1]=4 3127 B10R0.71 N#CCCSCCCCC=O 62a_100011215226_100000139335 [1,0,0,0,0,0|2,0,1]=4 3128 B10R0.71 N#CCSCCCCCC=O 62a_100000139337_100011215382 [1,0,0,0,0,0|2,0,1]=4 3129 B10R0.71 N#CCSCCCCCC=O 62a_100011215382_100000139337 [1,0,0,0,0,0|2,0,1]=4 3130 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [1,0,0,0,0,0|3,0,0]=4 3131 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [1,0,0,0,0,0|2,0,0]=3 3132 B10R0.71 NCCCCCCOCCF 34a_100000686447_100011217306 [1,0,0,0,0,0|3,0,0]=4 3133 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [1,0,0,0,0,0|2,0,1]=4 3134 B10R0.71 NCCCCCOCCCF 34a_100000762737_100011934791 [1,0,0,0,0,0|3,0,0]=4 3135 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [1,0,0,0,0,0|2,0,1]=4 3136 B10R0.71 NCCCCOCCCCF 34a_100000750430_100000729493 [1,0,0,0,0,0|3,0,0]=4 3137 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [1,0,0,0,0,0|2,0,1]=4 3138 B10R0.71 NCCCOCCCCCF 34a_100000182051_100000729378 [1,0,0,0,0,0|3,0,0]=4 3139 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [1,0,0,0,0,0|2,0,1]=4 3140 B10R0.71 NCCOCCCCCCF 34a_100000210304_100015922095 [1,0,0,0,0,0|3,0,0]=4 3141 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [1,0,0,0,0,0|2,0,1]=4 3142 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [1,0,0,0,0,0|2,0,0]=3 3143 B10R0.71 O=CCCCCCSCC=O 62a_100000139337_200015260668 [1,0,0,0,0,0|2,0,1]=4 3144 B10R0.71 O=CCCCCCSCC=O 62a_200015260668_100000139337 [1,0,0,0,0,0|2,0,1]=4 3145 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [1,0,0,0,0,0|2,0,0]=3 3146 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [1,0,0,0,0,0|2,0,0]=3 3147 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [1,0,0,0,0,0|2,0,0]=3 3148 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [1,0,0,0,0,0|2,0,0]=3 3149 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [1,0,0,0,0,0|2,0,0]=3 3150 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [1,0,0,0,0,0|2,0,0]=3 3151 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [1,0,0,0,0,0|2,0,0]=3 3152 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [1,0,0,0,0,0|2,0,0]=3 3153 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [1,0,0,0,0,0|2,0,0]=3 3154 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [1,0,0,0,0,0|2,0,0]=3 3155 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [1,0,0,0,0,0|2,0,0]=3 3156 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [1,0,0,0,0,0|2,0,0]=3 3157 B10R0.71 O=CCCCSCCCC=O 62a_200011292268_200011292268 [1,0,0,0,0,0|2,0,1]=4 3158 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [1,0,0,0,0,0|2,0,0]=3 3159 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [1,0,0,0,0,0|2,0,0]=3 3160 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [1,0,0,0,0,0|2,0,0]=3 3161 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [1,0,0,0,0,0|2,0,0]=3 3162 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [1,0,0,0,0,0|2,0,0]=3 3163 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [1,0,0,0,0,0|2,0,0]=3 3164 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [1,0,0,0,0,0|2,0,0]=3 3165 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [1,0,0,0,0,0|2,0,0]=3 3166 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [1,0,0,0,0,0|2,0,0]=3 3167 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [1,0,0,0,0,0|2,0,0]=3 3168 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [1,0,0,0,0,0|2,0,0]=3 3169 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [1,0,0,0,0,0|2,0,0]=3 3170 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [1,0,0,0,0,0|2,0,0]=3 3171 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [1,0,0,0,0,0|2,0,0]=3 3172 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [1,0,0,0,0,0|2,0,0]=3 3173 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [1,0,0,0,0,0|2,0,0]=3 3174 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [1,0,0,0,0,0|2,0,1]=4 3175 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [1,0,0,0,0,0|2,0,1]=4 3176 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [1,0,0,0,0,0|2,0,1]=4 3177 B10R0.71 OCCCCCCNCCF 2230a_100000686447_100011217306 [1,0,0,0,0,0|2,0,1]=4 3178 B10R0.71 OCCCCCCNCCF 34a_100000686447_100011217306 [1,0,0,0,0,0|2,0,1]=4 3179 B10R0.71 OCCCCCCNCCF 34a_100000724931_100000766143 [1,0,0,0,0,0|2,0,1]=4 3180 B10R0.71 OCCCCCCNCCO 2230a_100000686447_100000211926 [1,0,0,0,0,0|2,0,1]=4 3181 B10R0.71 OCCCCCCNCCO 2230a_100016997473_100000766143 [1,0,0,0,0,0|2,0,1]=4 3182 B10R0.71 OCCCCCCNCCO 34a_100000686447_100000211926 [1,0,0,0,0,0|2,0,1]=4 3183 B10R0.71 OCCCCCCNCCO 34a_100016990907_100000766143 [1,0,0,0,0,0|2,0,1]=4 3184 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [1,0,0,0,0,0|2,0,1]=4 3185 B10R0.71 OCCCCCCSCCF 62a_100000766143_100011217306 [1,0,0,0,0,0|2,0,1]=4 3186 B10R0.71 OCCCCCCSCCF 62a_100011217306_100000766143 [1,0,0,0,0,0|2,0,1]=4 3187 B10R0.71 OCCCCCCSCCO 62a_100000211926_100000766143 [1,0,0,0,0,0|2,0,1]=4 3188 B10R0.71 OCCCCCCSCCO 62a_100000766143_100000211926 [1,0,0,0,0,0|2,0,1]=4 3189 B10R0.71 OCCCCCNCCCF 2230a_100000762737_100011934791 [1,0,0,0,0,0|2,0,1]=4 3190 B10R0.71 OCCCCCNCCCF 2230a_100015189416_100000746330 [1,0,0,0,0,0|2,0,1]=4 3191 B10R0.71 OCCCCCNCCCF 34a_100000762737_100011934791 [1,0,0,0,0,0|2,0,1]=4 3192 B10R0.71 OCCCCCNCCCF 34a_100015189416_100000746330 [1,0,0,0,0,0|2,0,1]=4 3193 B10R0.71 OCCCCCNCCCO 2230a_100000762737_100000230001 [1,0,0,0,0,0|2,0,1]=4 3194 B10R0.71 OCCCCCNCCCO 34a_100000762737_100000230001 [1,0,0,0,0,0|2,0,1]=4 3195 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [1,0,0,0,0,0|2,0,1]=4 3196 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [1,0,0,0,0,0|2,0,1]=4 3197 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [1,0,0,0,0,0|2,0,1]=4 3198 B10R0.71 OCCCCCSCCCF 62a_100000746330_100011934791 [1,0,0,0,0,0|2,0,1]=4 3199 B10R0.71 OCCCCCSCCCF 62a_100011934791_100000746330 [1,0,0,0,0,0|2,0,1]=4 3200 B10R0.71 OCCCCCSCCCO 62a_100000746330_100011215043 [1,0,0,0,0,0|2,0,1]=4 3201 B10R0.71 OCCCCCSCCCO 62a_100011215043_100000746330 [1,0,0,0,0,0|2,0,1]=4 3202 B10R0.71 OCCCCNCCCCF 2230a_100000750430_100000729493 [1,0,0,0,0,0|2,0,1]=4 3203 B10R0.71 OCCCCNCCCCF 34a_100000750430_100000729493 [1,0,0,0,0,0|2,0,1]=4 3204 B10R0.71 OCCCCNCCCCO 2230a_100000750430_100000210776 [1,0,0,0,0,0|2,0,1]=4 3205 B10R0.71 OCCCCNCCCCO 34a_100000750430_100011216708 [1,0,0,0,0,0|2,0,1]=4 3206 B10R0.71 OCCCCOCCCCBr 34a_100011216708_100011216708 [1,0,0,0,0,0|2,0,1]=4 3207 B10R0.71 OCCCCOCCCCCl 34a_100000210776_100011216708 [1,0,0,0,0,0|2,0,1]=4 3208 B10R0.71 OCCCCOCCCCCl 7a_100000210776_100000210776 [1,0,0,0,0,0|2,0,1]=4 3209 B10R0.71 OCCCCOCCCCF 34a_100011995726_100011216708 [1,0,0,0,0,0|2,0,1]=4 3210 B10R0.71 OCCCCOCCCCF 7a_100011995726_100000210776 [1,0,0,0,0,0|2,0,1]=4 3211 B10R0.71 OCCCCOCCCCI 34a_200012148704_100011216708 [1,0,0,0,0,0|2,0,1]=4 3212 B10R0.71 OCCCCSCCCCF 62a_100000210776_100000729493 [1,0,0,0,0,0|2,0,1]=4 3213 B10R0.71 OCCCCSCCCCF 62a_100000729493_100000210776 [1,0,0,0,0,0|2,0,1]=4 3214 B10R0.71 OCCCCSCCCCO 62a_100000210776_100000210776 [1,0,0,0,0,0|2,0,1]=4 3215 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [1,0,0,0,0,0|2,0,1]=4 3216 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [1,0,0,0,0,0|2,0,1]=4 3217 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [1,0,0,0,0,0|2,0,1]=4 3218 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [1,0,0,0,0,0|2,0,1]=4 3219 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [1,0,0,0,0,0|2,0,1]=4 3220 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [1,0,0,0,0,0|2,0,1]=4 3221 B10R0.71 OCCCSCCCCCF 62a_100000729378_100011215043 [1,0,0,0,0,0|2,0,1]=4 3222 B10R0.71 OCCCSCCCCCF 62a_100011215043_100000729378 [1,0,0,0,0,0|2,0,1]=4 3223 B10R0.71 OCCNCCCCCCF 2230a_100016997473_100015922095 [1,0,0,0,0,0|2,0,1]=4 3224 B10R0.71 OCCNCCCCCCF 34a_100016990907_100015922095 [1,0,0,0,0,0|2,0,1]=4 3225 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [1,0,0,0,0,0|2,0,1]=4 3226 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [1,0,0,0,0,0|2,0,1]=4 3227 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [1,0,0,0,0,0|2,0,1]=4 3228 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [1,0,0,0,0,0|2,0,1]=4 3229 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [1,0,0,0,0,0|2,0,1]=4 3230 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [1,0,0,0,0,0|2,0,1]=4 3231 B10R0.71 OCCSCCCCCCF 62a_100000211926_100015922095 [1,0,0,0,0,0|2,0,1]=4 3232 B10R0.71 OCCSCCCCCCF 62a_100015922095_100000211926 [1,0,0,0,0,0|2,0,1]=4 3233 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [1,0,0,0,0,0|1,0,1]=3 3234 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [1,0,0,0,0,0|1,0,1]=3 3235 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [1,0,0,0,0,0|2,0,0]=3 3236 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [1,0,0,0,0,0|2,0,0]=3 3237 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [1,0,0,0,0,0|2,0,0]=3 3238 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [1,0,0,0,0,0|2,0,0]=3 3239 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [1,0,0,0,0,0|2,0,0]=3 3240 B10R0.71 [13CH3]OCCCCCNCCN 34a_103619048469_200025704644 [1,0,0,0,0,0|3,0,0]=4 3241 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [1,0,0,0,0,0|1,0,1]=3 3242 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [1,0,0,0,0,0|1,0,1]=3 3243 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100000210188_100000184674 [0,1,0,0,0,0|1,0,2]=4 3244 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100011220946_100000210759 [0,1,0,0,0,0|1,0,2]=4 3245 B12R0.1 C#CCC(C)OCCCCCC=O 7a_100000685586_100000139337 [0,1,0,0,0,0|1,0,2]=4 3246 B12R0.1 C#CCC(C)OCCCCCCC 34a_100000685586_100000210614 [0,1,0,0,0,0|2,0,1]=4 3247 B12R0.1 C#CCC(C)OCCCCCCC 7a_100000685586_100000210614 [0,1,0,0,0,0|2,0,1]=4 3248 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000034748_100000210303 [0,1,0,0,0,0|1,0,2]=4 3249 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000211992_100012276617 [0,1,0,0,0,0|1,0,2]=4 3250 B12R0.1 C#CCCCCCCN(C)CCC 2230a_100000747261_100012276617 [0,1,0,0,0,0|2,0,1]=4 3251 B12R0.1 C#CCCCCCCN(C)CCC 269982a_100000747261_100012276617 [0,1,0,0,0,0|2,0,1]=4 3252 B12R0.1 C#CCCCCCNC(C)CCC 2230a_100000741246_100012094781 [0,1,0,0,0,0|2,0,1]=4 3253 B12R0.1 C#CCCCCCOC(C)CCC 34a_100000764384_100012094781 [0,1,0,0,0,0|2,0,1]=4 3254 B12R0.1 C#CCCCCCOC(C)CCC 34a_100000766912_100000766640 [0,1,0,0,0,0|2,0,1]=4 3255 B12R0.1 C#CCCCCCOC(C)CCC 7a_100000764384_100012094781 [0,1,0,0,0,0|2,0,1]=4 3256 B12R0.1 C#CCCCCCOC(C)CCC 7a_100000766912_100000766640 [0,1,0,0,0,0|2,0,1]=4 3257 B12R0.1 C#CCCCCCSC(C)CCC 62a_100000766640_100012094781 [0,1,0,0,0,0|2,0,1]=4 3258 B12R0.1 C#CCCCCCSC(C)CCC 62a_100012094781_100000766640 [0,1,0,0,0,0|2,0,1]=4 3259 B12R0.1 C#CCCCCNCC(C)CCC 2230a_100000706060_100011216630 [0,1,0,0,0,0|2,0,1]=4 3260 B12R0.1 C#CCCCCNCC(C)CCC 34a_100000706060_100011216630 [0,1,0,0,0,0|2,0,1]=4 3261 B12R0.1 C#CCCCCOCC(C)CCC 34a_100000688023_100010269958 [0,1,0,0,0,0|2,0,1]=4 3262 B12R0.1 C#CCCCCOCC(C)CCC 34a_100000766709_100011216630 [0,1,0,0,0,0|2,0,1]=4 3263 B12R0.1 C#CCCCCOCC(C)CCC 7a_100000688023_100010269958 [0,1,0,0,0,0|2,0,1]=4 3264 B12R0.1 C#CCCCCOCC(C)CCC 7a_100000766709_100011216630 [0,1,0,0,0,0|2,0,1]=4 3265 B12R0.1 C#CCCCCOC[C@@H](N)CCC 34a_100000732646_100010269958 [0,1,0,0,0,0|2,0,1]=4 3266 B12R0.1 C#CCCCCSCC(C)CCC 62a_100010269958_100011216630 [0,1,0,0,0,0|2,0,1]=4 3267 B12R0.1 C#CCCCCSCC(C)CCC 62a_100011216630_100010269958 [0,1,0,0,0,0|2,0,1]=4 3268 B12R0.1 C#CCCCOCCC(C)CCC 34a_100011217855_100000695029 [0,1,0,0,0,0|2,0,1]=4 3269 B12R0.1 C#CCCCOCCC(C)CCC 7a_100011217855_100011215417 [0,1,0,0,0,0|2,0,1]=4 3270 B12R0.1 C#CCCCOCC[C@@H](N)CCC 34a_100015193777_100000695029 [0,1,0,0,0,0|2,0,1]=4 3271 B12R0.1 C#CCCOCCCC(C)CCC 34a_100011713154_100000688953 [0,1,0,0,0,0|2,0,1]=4 3272 B12R0.1 C#CCCOCCCC(C)CCC 7a_100011713154_100000688953 [0,1,0,0,0,0|2,0,1]=4 3273 B12R0.1 C#CCN(C)CCCCCCCC 2230a_100000207567_100000038162 [0,1,0,0,0,0|2,0,1]=4 3274 B12R0.1 C#CCN(C)CCCCCCCC 2230a_100000225692_100000210759 [0,1,0,0,0,0|2,0,1]=4 3275 B12R0.1 C#CCN(C)CCCCCCCC 34a_100000225692_100000210759 [0,1,0,0,0,0|2,0,1]=4 3276 B12R0.1 C/C=C/C(C)OCCCCCCC 34a_200102604097_100000210614 [0,1,0,0,0,0|2,0,1]=4 3277 B12R0.1 C/C=C/COCCCC(C)CCC 34a_100011713154_100102629194 [0,1,0,0,0,0|2,0,1]=4 3278 B12R0.1 C/C=C/COCCCC(C)CCC 7a_100011713154_100102629194 [0,1,0,0,0,0|2,0,1]=4 3279 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [0,1,0,0,0,0|1,0,1]=3 3280 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [0,1,0,0,0,0|1,0,1]=3 3281 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100000210193_100000760002 [0,1,0,0,0,0|2,0,1]=4 3282 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100011219782_100000210623 [0,1,0,0,0,0|2,0,1]=4 3283 B12R0.1 C=CCC(=O)CCCCCCOC 1458a_100000210193_100011998445 [0,1,0,0,0,0|2,0,1]=4 3284 B12R0.1 C=CCC(=O)NCCCCCCC 11a_100000229938_100000210193 [0,1,0,0,0,0|2,0,1]=4 3285 B12R0.1 C=CCC(=O)NCCCCCCC 1626a_100000229938_100000210193 [0,1,0,0,0,0|2,0,1]=4 3286 B12R0.1 C=CCC(=O)NCCCCCCC 240690a_100000229938_100000210193 [0,1,0,0,0,0|2,0,1]=4 3287 B12R0.1 C=CCC(=O)NCCCCCCC 527a_100000229938_100000210193 [0,1,0,0,0,0|2,0,1]=4 3288 B12R0.1 C=CCC(C)COCCCCC=O 7a_100009832082_100000139335 [0,1,0,0,0,0|1,0,2]=4 3289 B12R0.1 C=CCC(C)COCCCCCC 34a_100009832082_100000210314 [0,1,0,0,0,0|2,0,0]=3 3290 B12R0.1 C=CCC(C)COCCCCCC 7a_100009832082_100000210314 [0,1,0,0,0,0|2,0,0]=3 3291 B12R0.1 C=CCC(C)COCCCCCF 34a_100009832082_100000729378 [0,1,0,0,0,0|3,0,0]=4 3292 B12R0.1 C=CCC(C)COCCCCCF 7a_100009832082_100000729378 [0,1,0,0,0,0|3,0,0]=4 3293 B12R0.1 C=CCC(C)COCCCCCO 34a_100009832082_100000746330 [0,1,0,0,0,0|3,0,0]=4 3294 B12R0.1 C=CCC(C)COCCCCCO 7a_100009832082_100000746330 [0,1,0,0,0,0|3,0,0]=4 3295 B12R0.1 C=CCC(C)COCCCCOC 34a_100009832082_100000755781 [0,1,0,0,0,0|3,0,0]=4 3296 B12R0.1 C=CCC(C)COCCCCOC 7a_100009832082_100000730899 [0,1,0,0,0,0|3,0,0]=4 3297 B12R0.1 C=CCC(C)COCCCOCC 34a_100009832082_100012232248 [0,1,0,0,0,0|3,0,0]=4 3298 B12R0.1 C=CCC(C)COCCCOCC 7a_100009832082_100012232248 [0,1,0,0,0,0|3,0,0]=4 3299 B12R0.1 C=CCC(C)COCCOCCC 34a_100009832082_100011215938 [0,1,0,0,0,0|3,0,0]=4 3300 B12R0.1 C=CCC(C)COCCOCCC 7a_100009832082_100011215938 [0,1,0,0,0,0|3,0,0]=4 3301 B12R0.1 C=CCC(C)COCOCCCC 34a_100009832082_100011995733 [0,1,0,0,0,0|3,0,0]=4 3302 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [0,1,0,0,0,0|1,0,1]=3 3303 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [0,1,0,0,0,0|1,0,1]=3 3304 B12R0.1 C=CCCCCCCC(=O)CCF 1458a_100011809334_100011217306 [0,1,0,0,0,0|2,0,1]=4 3305 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011216618_100011215473 [0,1,0,0,0,0|2,0,1]=4 3306 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011809334_100000211926 [0,1,0,0,0,0|2,0,1]=4 3307 B12R0.1 C=CCCCCCCC(=O)COC 1458a_100000210968_100011215473 [0,1,0,0,0,0|2,0,1]=4 3308 B12R0.1 C=CCCCCCCC(=O)CSC 1458a_100000184570_100011215473 [0,1,0,0,0,0|2,0,1]=4 3309 B12R0.1 C=CCCCCCCC(=O)NCC 11a_100015525214_100011809334 [0,1,0,0,0,0|2,0,1]=4 3310 B12R0.1 C=CCCCCCCC(=O)NCC 240690a_100015525214_100011809334 [0,1,0,0,0,0|2,0,1]=4 3311 B12R0.1 C=CCCCCCCC(=O)NCC 527a_100015525214_100011809334 [0,1,0,0,0,0|2,0,1]=4 3312 B12R0.1 C=CCCCCCCN(C)CCC 2230a_100000747261_100011215473 [0,1,0,0,0,0|2,0,0]=3 3313 B12R0.1 C=CCCCCCCN(C)CCC 269982a_100000747261_100011215473 [0,1,0,0,0,0|2,0,0]=3 3314 B12R0.1 C=CCCCCCCN(C)CCO 2230a_100000210263_100011215473 [0,1,0,0,0,0|3,0,0]=4 3315 B12R0.1 C=CCCCCCCN(C)CCO 269982a_100000210263_100011215473 [0,1,0,0,0,0|3,0,0]=4 3316 B12R0.1 C=CCCCCCNC(C)CCC 2230a_100000741246_100000700193 [0,1,0,0,0,0|2,0,0]=3 3317 B12R0.1 C=CCCCCCN[C@H](C)CCO 2230a_100000706166_100000700193 [0,1,0,0,0,0|3,0,0]=4 3318 B12R0.1 C=CCCCCCN[C@H](C)CCO 34a_100000706166_100000700193 [0,1,0,0,0,0|3,0,0]=4 3319 B12R0.1 C=CCCCCCN[C@H](C)COC 2230a_100000764878_100000700193 [0,1,0,0,0,0|3,0,0]=4 3320 B12R0.1 C=CCCCCCOC(C)CCBr 34a_100012276601_100000700193 [0,1,0,0,0,0|3,0,0]=4 3321 B12R0.1 C=CCCCCCOC(C)CCC 34a_100000764384_100000700193 [0,1,0,0,0,0|2,0,0]=3 3322 B12R0.1 C=CCCCCCOC(C)CCC 34a_100011216702_100000766640 [0,1,0,0,0,0|2,0,0]=3 3323 B12R0.1 C=CCCCCCOC(C)CCC 7a_100000764384_100000700193 [0,1,0,0,0,0|2,0,0]=3 3324 B12R0.1 C=CCCCCCOC(C)CCC 7a_100011216702_100000766640 [0,1,0,0,0,0|2,0,0]=3 3325 B12R0.1 C=CCCCCCOC(C)CCO 34a_100011216702_100009893172 [0,1,0,0,0,0|3,0,0]=4 3326 B12R0.1 C=CCCCCCOC(C)CCO 7a_100011216702_100009893172 [0,1,0,0,0,0|3,0,0]=4 3327 B12R0.1 C=CCCCCCOC(C)COC 34a_100011216702_100000765312 [0,1,0,0,0,0|3,0,0]=4 3328 B12R0.1 C=CCCCCCOC(C)COC 7a_100011216702_100000765312 [0,1,0,0,0,0|3,0,0]=4 3329 B12R0.1 C=CCCCCCO[C@H](C)COC 34a_100011934205_100000700193 [0,1,0,0,0,0|3,0,0]=4 3330 B12R0.1 C=CCCCCCSC(C)CCC 62a_100000700193_100000766640 [0,1,0,0,0,0|2,0,0]=3 3331 B12R0.1 C=CCCCCCSC(C)CCC 62a_100000766640_100000700193 [0,1,0,0,0,0|2,0,0]=3 3332 B12R0.1 C=CCCCCCSC(C)CCO 62a_100000700193_100009893172 [0,1,0,0,0,0|3,0,0]=4 3333 B12R0.1 C=CCCCCCSC(C)CCO 62a_100009893172_100000700193 [0,1,0,0,0,0|3,0,0]=4 3334 B12R0.1 C=CCCCCCSC(C)COC 62a_100000700193_100000765312 [0,1,0,0,0,0|3,0,0]=4 3335 B12R0.1 C=CCCCCCSC(C)COC 62a_100000765312_100000700193 [0,1,0,0,0,0|3,0,0]=4 3336 B12R0.1 C=CCCCCNCC(=O)CCC 2230a_100000703577_100000747444 [0,1,0,0,0,0|2,0,1]=4 3337 B12R0.1 C=CCCCCNCC(C)CCC 2230a_100000703577_100011216630 [0,1,0,0,0,0|2,0,0]=3 3338 B12R0.1 C=CCCCCNCC(C)CCC 270004a_100000703577_100000243154 [0,1,0,0,0,0|2,0,0]=3 3339 B12R0.1 C=CCCCCNCC(C)CCC 34a_100000703577_100011216630 [0,1,0,0,0,0|2,0,0]=3 3340 B12R0.1 C=CCCCCNCC(O)COC 2230a_100000756049_100011215482 [0,1,0,0,0,0|3,0,0]=4 3341 B12R0.1 C=CCCCCNCC(O)COC 34a_100000703577_100011215053 [0,1,0,0,0,0|3,0,0]=4 3342 B12R0.1 C=CCCCCNCC(O)COC 34a_100000756049_100011215482 [0,1,0,0,0,0|3,0,0]=4 3343 B12R0.1 C=CCCCCOCC(=O)CCC 7a_100000766645_100000747444 [0,1,0,0,0,0|2,0,1]=4 3344 B12R0.1 C=CCCCCOCC(C)CCC 34a_100000688023_100011215482 [0,1,0,0,0,0|2,0,0]=3 3345 B12R0.1 C=CCCCCOCC(C)CCC 34a_100000766645_100011216630 [0,1,0,0,0,0|2,0,0]=3 3346 B12R0.1 C=CCCCCOCC(C)CCC 7a_100000688023_100011215482 [0,1,0,0,0,0|2,0,0]=3 3347 B12R0.1 C=CCCCCOCC(C)CCC 7a_100000766645_100011216630 [0,1,0,0,0,0|2,0,0]=3 3348 B12R0.1 C=CCCCCOCC(C)CCN 34a_106354213184_100011215482 [0,1,0,0,0,0|3,0,0]=4 3349 B12R0.1 C=CCCCCOCC(N)COC 34a_100000724102_100011215482 [0,1,0,0,0,0|3,0,0]=4 3350 B12R0.1 C=CCCCCOCC(O)COC 34a_100000766645_100011215053 [0,1,0,0,0,0|3,0,0]=4 3351 B12R0.1 C=CCCCCOCC(O)COC 7a_100000766645_100011215053 [0,1,0,0,0,0|3,0,0]=4 3352 B12R0.1 C=CCCCCOC[C@@H](N)CCC 34a_100000732646_100011215482 [0,1,0,0,0,0|2,0,0]=3 3353 B12R0.1 C=CCCCCSCC(=O)CCC 62a_100000747444_100011215482 [0,1,0,0,0,0|2,0,1]=4 3354 B12R0.1 C=CCCCCSCC(=O)CCC 62a_100011215482_100000747444 [0,1,0,0,0,0|2,0,1]=4 3355 B12R0.1 C=CCCCCSCC(C)CCC 62a_100011215482_100011216630 [0,1,0,0,0,0|2,0,0]=3 3356 B12R0.1 C=CCCCCSCC(C)CCC 62a_100011216630_100011215482 [0,1,0,0,0,0|2,0,0]=3 3357 B12R0.1 C=CCCCCSCC(O)COC 62a_100011215053_100011215482 [0,1,0,0,0,0|3,0,0]=4 3358 B12R0.1 C=CCCCCSCC(O)COC 62a_100011215482_100011215053 [0,1,0,0,0,0|3,0,0]=4 3359 B12R0.1 C=CCCCOCCC(C)CCC 34a_100011217855_100000757094 [0,1,0,0,0,0|2,0,0]=3 3360 B12R0.1 C=CCCCOCCC(C)CCC 7a_100011217855_100000757094 [0,1,0,0,0,0|2,0,0]=3 3361 B12R0.1 C=CCCCOCC[C@@H](N)CCC 34a_100015193777_100000757094 [0,1,0,0,0,0|2,0,0]=3 3362 B12R0.1 C=CCCOCCCC(C)CCC 34a_100011713154_100000754431 [0,1,0,0,0,0|2,0,0]=3 3363 B12R0.1 C=CCCOCCCC(C)CCC 7a_100011713154_100000754431 [0,1,0,0,0,0|2,0,0]=3 3364 B12R0.1 C=CCN(C)CCCCCCCC 2230a_100000207567_100000210623 [0,1,0,0,0,0|2,0,0]=3 3365 B12R0.1 C=CCN(C)CCCCCCCC 2230a_100000225617_100000210759 [0,1,0,0,0,0|2,0,0]=3 3366 B12R0.1 C=CCN(C)CCCCCCCC 269982a_100000207567_100000210623 [0,1,0,0,0,0|2,0,0]=3 3367 B12R0.1 C=CCN(C)CCCCCCCC 269982a_100000225617_100000210759 [0,1,0,0,0,0|2,0,0]=3 3368 B12R0.1 C=CCN(C)CCCCCCCO 2230a_100000225617_100000760002 [0,1,0,0,0,0|3,0,0]=4 3369 B12R0.1 C=CCN(C)CCCCCCCO 269982a_100000225617_100000760002 [0,1,0,0,0,0|3,0,0]=4 3370 B12R0.1 C=CCN(C)CCCCCCOC 2230a_100000225617_100011998445 [0,1,0,0,0,0|3,0,0]=4 3371 B12R0.1 C=CCN(C)CCCCCCOC 269982a_100000225617_100011998445 [0,1,0,0,0,0|3,0,0]=4 3372 B12R0.1 C=CCOCCOCC(C)CCC 34a_100000037705_100011216630 [0,1,0,0,0,0|3,0,0]=4 3373 B12R0.1 C=CCOCCOCC(C)CCC 7a_100000037705_100011216630 [0,1,0,0,0,0|3,0,0]=4 3374 B12R0.1 C=CC[C@@H](C)OCCCCCC=O 7a_100000731007_100000139337 [0,1,0,0,0,0|1,0,2]=4 3375 B12R0.1 C=CC[C@@H](C)OCCCCCCC 34a_100000731007_100000210614 [0,1,0,0,0,0|2,0,0]=3 3376 B12R0.1 C=CC[C@@H](C)OCCCCCCC 7a_100000731007_100000210614 [0,1,0,0,0,0|2,0,0]=3 3377 B12R0.1 C=CC[C@@H](C)OCCCCCCF 34a_100000731007_100015922095 [0,1,0,0,0,0|3,0,0]=4 3378 B12R0.1 C=CC[C@@H](C)OCCCCCCF 7a_100000731007_100015922095 [0,1,0,0,0,0|3,0,0]=4 3379 B12R0.1 C=CC[C@@H](C)OCCCCCCO 34a_100000731007_100000766143 [0,1,0,0,0,0|3,0,0]=4 3380 B12R0.1 C=CC[C@@H](C)OCCCCCCO 7a_100000731007_100000766143 [0,1,0,0,0,0|3,0,0]=4 3381 B12R0.1 C=CC[C@@H](C)OCCOCCCC 34a_100000731007_100000743108 [0,1,0,0,0,0|3,0,0]=4 3382 B12R0.1 C=CC[C@@H](C)OCCOCCCC 7a_100000731007_100000743108 [0,1,0,0,0,0|3,0,0]=4 3383 B12R0.1 C=CC[C@@H](N)COCCCCCC 34a_100020615467_100000210314 [0,1,0,0,0,0|2,0,0]=3 3384 B12R0.1 C=CC[C@@H](N)COCCCCCF 34a_100020615467_100000729378 [0,1,0,0,0,0|3,0,0]=4 3385 B12R0.1 C=CC[C@@H](N)COCCCCCO 34a_100020615467_100000746330 [0,1,0,0,0,0|3,0,0]=4 3386 B12R0.1 C=CC[C@@H](N)COCCCCOC 34a_100020615467_100000755781 [0,1,0,0,0,0|3,0,0]=4 3387 B12R0.1 C=CC[C@@H](N)COCCCOCC 34a_100020615467_100012232248 [0,1,0,0,0,0|3,0,0]=4 3388 B12R0.1 C=CC[C@@H](N)COCCOCCC 34a_100020615467_100011215938 [0,1,0,0,0,0|3,0,0]=4 3389 B12R0.1 C=CC[C@@H](N)COCOCCCC 34a_100020615467_100011995733 [0,1,0,0,0,0|3,0,0]=4 3390 B12R0.1 C=COCCCCOC(C)CCC 34a_100000031558_100000766640 [0,1,0,0,0,0|3,0,0]=4 3391 B12R0.1 C=COCCCCOC(C)CCC 7a_100000031558_100000766640 [0,1,0,0,0,0|3,0,0]=4 3392 B12R0.1 C=COCCCNCC(C)CCC 2230a_100000210767_100011216630 [0,1,0,0,0,0|3,0,0]=4 3393 B12R0.1 C=COCCCNCC(C)CCC 270004a_100000210767_100000243154 [0,1,0,0,0,0|3,0,0]=4 3394 B12R0.1 C=COCCCNCC(C)CCC 34a_100000210767_100011216630 [0,1,0,0,0,0|3,0,0]=4 3395 B12R0.1 C=COCCOCCC(C)CCC 34a_100011217855_100000039644 [0,1,0,0,0,0|3,0,0]=4 3396 B12R0.1 C=COCCOCCC(C)CCC 7a_100011217855_100000039644 [0,1,0,0,0,0|3,0,0]=4 3397 B12R0.1 C=COCCOCC[C@@H](N)CCC 34a_100015193777_100000039644 [0,1,0,0,0,0|3,0,0]=4 3398 B12R0.1 CC(CC#N)SCCCCCC=O 62a_100000139337_100009813641 [0,1,0,0,0,0|2,0,1]=4 3399 B12R0.1 CC(CC#N)SCCCCCC=O 62a_100009813641_100000139337 [0,1,0,0,0,0|2,0,1]=4 3400 B12R0.1 CC(CCO)SCCCCCC=O 62a_100000139337_100009893172 [0,1,0,0,0,0|2,0,0]=3 3401 B12R0.1 CC(CCO)SCCCCCC=O 62a_100009893172_100000139337 [0,1,0,0,0,0|2,0,0]=3 3402 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [0,1,0,0,0,0|1,0,2]=4 3403 B12R0.1 CC=CCCCOCC(C)CCC 34a_100020645299_100011216630 [0,1,0,0,0,0|2,0,1]=4 3404 B12R0.1 CC=CCOCCCC(C)CCC 34a_100011713154_100000070051 [0,1,0,0,0,0|2,0,1]=4 3405 B12R0.1 CC=CCOCCCC(C)CCC 7a_100011713154_100000070051 [0,1,0,0,0,0|2,0,1]=4 3406 B12R0.1 CCCC(=O)CCCCCCC#N 1458a_100000211992_100009813337 [0,1,0,0,0,0|1,0,2]=4 3407 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,1,0,0,0,0|0,0,3]=4 3408 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,1,0,0,0,0|0,0,3]=4 3409 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [0,1,0,0,0,0|2,0,1]=4 3410 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000139335_100000747444 [0,1,0,0,0,0|1,0,1]=3 3411 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000747444_100000139335 [0,1,0,0,0,0|1,0,1]=3 3412 B12R0.1 CCCC(=O)OCSCCCC=O 62a_200011292268_100000034017 [0,1,0,0,0,0|2,0,1]=4 3413 B12R0.1 CCCC(C)CCCOCCC#N 7a_100011713154_100000184422 [0,1,0,0,0,0|2,0,1]=4 3414 B12R0.1 CCCC(C)CCCOCCCF 34a_100011713154_100011934791 [0,1,0,0,0,0|2,0,1]=4 3415 B12R0.1 CCCC(C)CCCOCCCF 7a_100011713154_100011934791 [0,1,0,0,0,0|2,0,1]=4 3416 B12R0.1 CCCC(C)CCCOCCCO 34a_100011713154_100000230001 [0,1,0,0,0,0|1,0,2]=4 3417 B12R0.1 CCCC(C)CCCOCCCO 7a_100011713154_100011215043 [0,1,0,0,0,0|1,0,2]=4 3418 B12R0.1 CCCC(C)CCCOCCOC 34a_100011713154_100011201679 [0,1,0,0,0,0|3,0,0]=4 3419 B12R0.1 CCCC(C)CCCOCCOC 7a_100011713154_100000233755 [0,1,0,0,0,0|3,0,0]=4 3420 B12R0.1 CCCC(C)CCCOCCSC 34a_100011713154_100000212216 [0,1,0,0,0,0|3,0,0]=4 3421 B12R0.1 CCCC(C)CCCOCCSC 7a_100011713154_100000212216 [0,1,0,0,0,0|3,0,0]=4 3422 B12R0.1 CCCC(C)CCOCCCC#N 7a_100011217855_100000687738 [0,1,0,0,0,0|2,0,1]=4 3423 B12R0.1 CCCC(C)CCOCCCC=O 7a_100011217855_200011292268 [0,1,0,0,0,0|1,0,0]=2 3424 B12R0.1 CCCC(C)CCOCCCCF 34a_100011217855_100000729493 [0,1,0,0,0,0|2,0,1]=4 3425 B12R0.1 CCCC(C)CCOCCCCF 7a_100011217855_100000729493 [0,1,0,0,0,0|2,0,1]=4 3426 B12R0.1 CCCC(C)CCOCCCCO 34a_100011217855_100011216708 [0,1,0,0,0,0|1,0,2]=4 3427 B12R0.1 CCCC(C)CCOCCCCO 7a_100011217855_100000210776 [0,1,0,0,0,0|1,0,2]=4 3428 B12R0.1 CCCC(C)CCOCCCOC 34a_100011217855_100000740836 [0,1,0,0,0,0|3,0,0]=4 3429 B12R0.1 CCCC(C)CCOCCCOC 7a_100011217855_100000740836 [0,1,0,0,0,0|3,0,0]=4 3430 B12R0.1 CCCC(C)CNCCCCC#N 270004a_100000751965_100000243154 [0,1,0,0,0,0|2,0,1]=4 3431 B12R0.1 CCCC(C)CNCCCCCO 2230a_100000762737_100011216630 [0,1,0,0,0,0|1,0,2]=4 3432 B12R0.1 CCCC(C)CNCCCCCO 270004a_100000762737_100000243154 [0,1,0,0,0,0|1,0,2]=4 3433 B12R0.1 CCCC(C)CNCCCCCO 34a_100000762737_100011216630 [0,1,0,0,0,0|1,0,2]=4 3434 B12R0.1 CCCC(C)COCCCCC#N 7a_100000688023_100000211819 [0,1,0,0,0,0|2,0,1]=4 3435 B12R0.1 CCCC(C)COCCCCC=O 7a_100000688023_100000139335 [0,1,0,0,0,0|1,0,0]=2 3436 B12R0.1 CCCC(C)COCCCCCBr 34a_100000746331_100011216630 [0,1,0,0,0,0|2,0,1]=4 3437 B12R0.1 CCCC(C)COCCCCCBr 7a_100000746331_100011216630 [0,1,0,0,0,0|2,0,1]=4 3438 B12R0.1 CCCC(C)COCCCCCCl 34a_100000746330_100011216630 [0,1,0,0,0,0|2,0,1]=4 3439 B12R0.1 CCCC(C)COCCCCCCl 7a_100000746330_100011216630 [0,1,0,0,0,0|2,0,1]=4 3440 B12R0.1 CCCC(C)COCCCCCF 34a_100000688023_100000729378 [0,1,0,0,0,0|2,0,1]=4 3441 B12R0.1 CCCC(C)COCCCCCF 7a_100000688023_100000729378 [0,1,0,0,0,0|2,0,1]=4 3442 B12R0.1 CCCC(C)COCCCCCI 34a_200012148887_100011216630 [0,1,0,0,0,0|2,0,1]=4 3443 B12R0.1 CCCC(C)COCCCCCI 7a_200012148887_100011216630 [0,1,0,0,0,0|2,0,1]=4 3444 B12R0.1 CCCC(C)COCCCCCN 34a_100000762737_100011216630 [0,1,0,0,0,0|2,0,1]=4 3445 B12R0.1 CCCC(C)COCCCCCO 34a_100000688023_100000746330 [0,1,0,0,0,0|1,0,2]=4 3446 B12R0.1 CCCC(C)COCCCCCO 7a_100000688023_100000746330 [0,1,0,0,0,0|1,0,2]=4 3447 B12R0.1 CCCC(C)COCCCCOC 34a_100000688023_100000755781 [0,1,0,0,0,0|3,0,0]=4 3448 B12R0.1 CCCC(C)COCCCCOC 34a_100000740925_100011216630 [0,1,0,0,0,0|3,0,0]=4 3449 B12R0.1 CCCC(C)COCCCCOC 7a_100000688023_100000730899 [0,1,0,0,0,0|3,0,0]=4 3450 B12R0.1 CCCC(C)COCCCCSC 34a_100011217163_100011216630 [0,1,0,0,0,0|3,0,0]=4 3451 B12R0.1 CCCC(C)COCCCCSC 7a_100011217163_100011216630 [0,1,0,0,0,0|3,0,0]=4 3452 B12R0.1 CCCC(C)CSCCCCC#N 62a_100011216630_100000211819 [0,1,0,0,0,0|2,0,1]=4 3453 B12R0.1 CCCC(C)CSCCCCC#N 62a_100011219923_100011216630 [0,1,0,0,0,0|2,0,1]=4 3454 B12R0.1 CCCC(C)CSCCCCC=O 62a_100000139335_100011216630 [0,1,0,0,0,0|1,0,0]=2 3455 B12R0.1 CCCC(C)CSCCCCC=O 62a_100011216630_100000139335 [0,1,0,0,0,0|1,0,0]=2 3456 B12R0.1 CCCC(C)CSCCCCCF 62a_100000729378_100011216630 [0,1,0,0,0,0|2,0,1]=4 3457 B12R0.1 CCCC(C)CSCCCCCF 62a_100011216630_100000729378 [0,1,0,0,0,0|2,0,1]=4 3458 B12R0.1 CCCC(C)CSCCCCCO 62a_100000746330_100011216630 [0,1,0,0,0,0|1,0,2]=4 3459 B12R0.1 CCCC(C)CSCCCCCO 62a_100011216630_100000746330 [0,1,0,0,0,0|1,0,2]=4 3460 B12R0.1 CCCC(C)CSCCCCOC 62a_100000730899_100011216630 [0,1,0,0,0,0|3,0,0]=4 3461 B12R0.1 CCCC(C)CSCCCCOC 62a_100011216630_100000730899 [0,1,0,0,0,0|3,0,0]=4 3462 B12R0.1 CCCC(C)NCCCCCC#N 2230a_100000741246_100009813376 [0,1,0,0,0,0|2,0,1]=4 3463 B12R0.1 CCCC(C)NCCCCCC#N 270004a_100000061152_100000211909 [0,1,0,0,0,0|2,0,1]=4 3464 B12R0.1 CCCC(C)NCCCCCC=O 2230a_100000741246_100000139337 [0,1,0,0,0,0|1,0,0]=2 3465 B12R0.1 CCCC(C)NCCCCCCF 2230a_100000741246_100015922095 [0,1,0,0,0,0|2,0,1]=4 3466 B12R0.1 CCCC(C)NCCCCCCO 2230a_100000686447_100000766640 [0,1,0,0,0,0|1,0,2]=4 3467 B12R0.1 CCCC(C)NCCCCCCO 2230a_100000741246_100000766143 [0,1,0,0,0,0|1,0,2]=4 3468 B12R0.1 CCCC(C)NCCCCCCO 270004a_100000686447_100000211909 [0,1,0,0,0,0|1,0,2]=4 3469 B12R0.1 CCCC(C)NCCCCCCO 34a_100000686447_100000766640 [0,1,0,0,0,0|1,0,2]=4 3470 B12R0.1 CCCC(C)NCCCCCOC 2230a_100000747528_100000766640 [0,1,0,0,0,0|3,0,0]=4 3471 B12R0.1 CCCC(C)NCCCCCOC 270004a_100000747528_100000211909 [0,1,0,0,0,0|3,0,0]=4 3472 B12R0.1 CCCC(C)NCCCCCOC 34a_100000747528_100000766640 [0,1,0,0,0,0|3,0,0]=4 3473 B12R0.1 CCCC(C)OCCCCCC#N 7a_100000764384_100009813376 [0,1,0,0,0,0|2,0,1]=4 3474 B12R0.1 CCCC(C)OCCCCCC=O 7a_100000764384_100000139337 [0,1,0,0,0,0|1,0,0]=2 3475 B12R0.1 CCCC(C)OCCCCCCBr 34a_100011215345_100000766640 [0,1,0,0,0,0|2,0,1]=4 3476 B12R0.1 CCCC(C)OCCCCCCBr 7a_100011215345_100000766640 [0,1,0,0,0,0|2,0,1]=4 3477 B12R0.1 CCCC(C)OCCCCCCCl 34a_100000766143_100000766640 [0,1,0,0,0,0|2,0,1]=4 3478 B12R0.1 CCCC(C)OCCCCCCCl 7a_100000766143_100000766640 [0,1,0,0,0,0|2,0,1]=4 3479 B12R0.1 CCCC(C)OCCCCCCF 34a_100000732779_100000766640 [0,1,0,0,0,0|2,0,1]=4 3480 B12R0.1 CCCC(C)OCCCCCCF 34a_100000764384_100015922095 [0,1,0,0,0,0|2,0,1]=4 3481 B12R0.1 CCCC(C)OCCCCCCF 7a_100000732779_100000766640 [0,1,0,0,0,0|2,0,1]=4 3482 B12R0.1 CCCC(C)OCCCCCCF 7a_100000764384_100015922095 [0,1,0,0,0,0|2,0,1]=4 3483 B12R0.1 CCCC(C)OCCCCCCN 34a_100000686447_100000766640 [0,1,0,0,0,0|2,0,1]=4 3484 B12R0.1 CCCC(C)OCCCCCCO 34a_100000764384_100000766143 [0,1,0,0,0,0|1,0,2]=4 3485 B12R0.1 CCCC(C)OCCCCCCO 7a_100000764384_100000766143 [0,1,0,0,0,0|1,0,2]=4 3486 B12R0.1 CCCC(C)OCCCCCNC 34a_100000722520_100000766640 [0,1,0,0,0,0|3,0,0]=4 3487 B12R0.1 CCCC(C)SCCCCCC#N 62a_100000766640_100009813376 [0,1,0,0,0,0|2,0,1]=4 3488 B12R0.1 CCCC(C)SCCCCCC#N 62a_100009813376_100000766640 [0,1,0,0,0,0|2,0,1]=4 3489 B12R0.1 CCCC(C)SCCCCCC=O 62a_100000139337_100000766640 [0,1,0,0,0,0|1,0,0]=2 3490 B12R0.1 CCCC(C)SCCCCCC=O 62a_100000766640_100000139337 [0,1,0,0,0,0|1,0,0]=2 3491 B12R0.1 CCCC(C)SCCCCCCF 62a_100000766640_100015922095 [0,1,0,0,0,0|2,0,1]=4 3492 B12R0.1 CCCC(C)SCCCCCCF 62a_100015922095_100000766640 [0,1,0,0,0,0|2,0,1]=4 3493 B12R0.1 CCCC(C)SCCCCCCO 62a_100000766143_100000766640 [0,1,0,0,0,0|1,0,2]=4 3494 B12R0.1 CCCC(C)SCCCCCCO 62a_100000766640_100000766143 [0,1,0,0,0,0|1,0,2]=4 3495 B12R0.1 CCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210759 [0,1,0,0,0,0|1,0,2]=4 3496 B12R0.1 CCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210759 [0,1,0,0,0,0|1,0,2]=4 3497 B12R0.1 CCCCCCCCC(=O)C=CI 1458a_100016256311_100000210759 [0,1,0,0,0,0|1,0,2]=4 3498 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100000210188_100011214920 [0,1,0,0,0,0|1,0,2]=4 3499 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100051588842_100000210759 [0,1,0,0,0,0|1,0,2]=4 3500 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,1,0,0,0,0|1,0,2]=4 3501 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,1,0,0,0,0|1,0,2]=4 3502 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [0,1,0,0,0,0|1,0,2]=4 3503 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,1,0,0,0,0|0,0,3]=4 3504 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,1,0,0,0,0|0,0,3]=4 3505 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,1,0,0,0,0|2,0,1]=4 3506 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [0,1,0,0,0,0|2,0,1]=4 3507 B12R0.1 CCCCCCCCC(C)CNC 270004a_106832991635_100011995885 [0,1,0,0,0,0|2,0,0]=3 3508 B12R0.1 CCCCCCCCC(C)COC 34a_200012125181_200000210301 [0,1,0,0,0,0|2,0,0]=3 3509 B12R0.1 CCCCCCCCC(C)COC 7a_200012125181_200000210301 [0,1,0,0,0,0|2,0,0]=3 3510 B12R0.1 CCCCCCCCC(C)CO[13CH3] 34a_200012125181_200025704644 [0,1,0,0,0,0|2,0,0]=3 3511 B12R0.1 CCCCCCCCC(C)CO[13CH3] 7a_200012125181_200025704644 [0,1,0,0,0,0|2,0,0]=3 3512 B12R0.1 CCCCCCCCC(C)NCC 270004a_100015525214_100011216694 [0,1,0,0,0,0|2,0,1]=4 3513 B12R0.1 CCCCCCCCC(C)OCC 34a_100000210740_100000210202 [0,1,0,0,0,0|2,0,1]=4 3514 B12R0.1 CCCCCCCCC(C)OCC 7a_100000210740_100000210202 [0,1,0,0,0,0|2,0,1]=4 3515 B12R0.1 CCCCCCCCC(C)OCF 34a_100000210740_100015361967 [0,1,0,0,0,0|2,0,1]=4 3516 B12R0.1 CCCCCCCCC(C)OCF 7a_100000210740_100015361967 [0,1,0,0,0,0|2,0,1]=4 3517 B12R0.1 CCCCCCCCN(C)CC#N 2230a_100000207567_100011215382 [0,1,0,0,0,0|2,0,1]=4 3518 B12R0.1 CCCCCCCCN(C)CC#N 2230a_100000748184_100000210759 [0,1,0,0,0,0|2,0,1]=4 3519 B12R0.1 CCCCCCCCN(C)CC#N 269982a_100000207567_100011214920 [0,1,0,0,0,0|2,0,1]=4 3520 B12R0.1 CCCCCCCCN(C)CC=O 2230a_100000207567_200015260668 [0,1,0,0,0,0|1,0,0]=2 3521 B12R0.1 CCCCCCCCN(C)CC=O 269982a_100000207567_200015260668 [0,1,0,0,0,0|1,0,0]=2 3522 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000207567_100000210303 [0,1,0,0,0,0|2,0,1]=4 3523 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000747261_100000210759 [0,1,0,0,0,0|2,0,1]=4 3524 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000207567_100000210303 [0,1,0,0,0,0|2,0,1]=4 3525 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000747261_100000210759 [0,1,0,0,0,0|2,0,1]=4 3526 B12R0.1 CCCCCCCCN(C)CCF 2230a_100000207567_100011217306 [0,1,0,0,0,0|2,0,1]=4 3527 B12R0.1 CCCCCCCCN(C)CCF 269982a_100000207567_100011217306 [0,1,0,0,0,0|2,0,1]=4 3528 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000207567_100000211926 [0,1,0,0,0,0|1,0,2]=4 3529 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000210263_100000210759 [0,1,0,0,0,0|1,0,2]=4 3530 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000207567_100000211926 [0,1,0,0,0,0|1,0,2]=4 3531 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000210263_100000210759 [0,1,0,0,0,0|1,0,2]=4 3532 B12R0.1 CCCCCCCCN(C)COC 2230a_100000207567_100000766300 [0,1,0,0,0,0|3,0,0]=4 3533 B12R0.1 CCCCCCCCN(C)COC 269982a_100000207567_100000766300 [0,1,0,0,0,0|3,0,0]=4 3534 B12R0.1 CCCCCCCCN(C)CSC 2230a_100000207567_100011218213 [0,1,0,0,0,0|3,0,0]=4 3535 B12R0.1 CCCCCCCCN(C)CSC 269982a_100000207567_100011218213 [0,1,0,0,0,0|3,0,0]=4 3536 B12R0.1 CCCCCCCNC(C)CC#N 2230a_100000229938_100009813641 [0,1,0,0,0,0|2,0,1]=4 3537 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000229938_100000766640 [0,1,0,0,0,0|2,0,1]=4 3538 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000741246_100000210681 [0,1,0,0,0,0|2,0,1]=4 3539 B12R0.1 CCCCCCCNC(C)CCC 270004a_100000229938_100000211909 [0,1,0,0,0,0|2,0,1]=4 3540 B12R0.1 CCCCCCCNC(C)CCO 2230a_100000229938_100009893172 [0,1,0,0,0,0|1,0,2]=4 3541 B12R0.1 CCCCCCCNC(C)COC 2230a_100000229938_100000765312 [0,1,0,0,0,0|3,0,0]=4 3542 B12R0.1 CCCCCCCNC(C)COC 270004a_100000229938_100000749346 [0,1,0,0,0,0|3,0,0]=4 3543 B12R0.1 CCCCCCCNC(C)CSC 270004a_100000229938_100011216314 [0,1,0,0,0,0|3,0,0]=4 3544 B12R0.1 CCCCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210681 [0,1,0,0,0,0|2,0,1]=4 3545 B12R0.1 CCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210681 [0,1,0,0,0,0|1,0,2]=4 3546 B12R0.1 CCCCCCCN[C@H](C)CCO 34a_100000706166_100000210614 [0,1,0,0,0,0|1,0,2]=4 3547 B12R0.1 CCCCCCCN[C@H](C)COC 2230a_100000764878_100000210681 [0,1,0,0,0,0|3,0,0]=4 3548 B12R0.1 CCCCCCCOC(C)CC#N 7a_100000210272_100009813641 [0,1,0,0,0,0|2,0,1]=4 3549 B12R0.1 CCCCCCCOC(C)CCBr 34a_100012276601_100000210614 [0,1,0,0,0,0|2,0,1]=4 3550 B12R0.1 CCCCCCCOC(C)CCC 34a_100000210272_100000766640 [0,1,0,0,0,0|2,0,1]=4 3551 B12R0.1 CCCCCCCOC(C)CCC 34a_100000764384_100000210614 [0,1,0,0,0,0|2,0,1]=4 3552 B12R0.1 CCCCCCCOC(C)CCC 7a_100000210272_100000766640 [0,1,0,0,0,0|2,0,1]=4 3553 B12R0.1 CCCCCCCOC(C)CCC 7a_100000764384_100000210614 [0,1,0,0,0,0|2,0,1]=4 3554 B12R0.1 CCCCCCCOC(C)CCO 34a_100000210272_100009893172 [0,1,0,0,0,0|1,0,2]=4 3555 B12R0.1 CCCCCCCOC(C)CCO 7a_100000210272_100009893172 [0,1,0,0,0,0|1,0,2]=4 3556 B12R0.1 CCCCCCCOC(C)COC 34a_100000210272_100000765312 [0,1,0,0,0,0|3,0,0]=4 3557 B12R0.1 CCCCCCCOC(C)COC 7a_100000210272_100000765312 [0,1,0,0,0,0|3,0,0]=4 3558 B12R0.1 CCCCCCCO[C@H](C)COC 34a_100011934205_100000210614 [0,1,0,0,0,0|3,0,0]=4 3559 B12R0.1 CCCCCCCSC(C)CC#N 62a_100000210614_100009813641 [0,1,0,0,0,0|2,0,1]=4 3560 B12R0.1 CCCCCCCSC(C)CC#N 62a_100009813641_100000210316 [0,1,0,0,0,0|2,0,1]=4 3561 B12R0.1 CCCCCCCSC(C)CCC 62a_100000210614_100000766640 [0,1,0,0,0,0|2,0,1]=4 3562 B12R0.1 CCCCCCCSC(C)CCC 62a_100000766640_100000210316 [0,1,0,0,0,0|2,0,1]=4 3563 B12R0.1 CCCCCCCSC(C)CCO 62a_100000210614_100009893172 [0,1,0,0,0,0|1,0,2]=4 3564 B12R0.1 CCCCCCCSC(C)CCO 62a_100009893172_100000210316 [0,1,0,0,0,0|1,0,2]=4 3565 B12R0.1 CCCCCCCSC(C)COC 62a_100000210614_100000765312 [0,1,0,0,0,0|3,0,0]=4 3566 B12R0.1 CCCCCCCSC(C)COC 62a_100000765312_100000210316 [0,1,0,0,0,0|3,0,0]=4 3567 B12R0.1 CCCCCCNCC(C)CCC 2230a_100000210581_100011216630 [0,1,0,0,0,0|2,0,1]=4 3568 B12R0.1 CCCCCCNCC(C)CCC 270004a_100000210581_100000243154 [0,1,0,0,0,0|2,0,1]=4 3569 B12R0.1 CCCCCCNCC(O)COC 2230a_100000756049_100000210314 [0,1,0,0,0,0|3,0,0]=4 3570 B12R0.1 CCCCCCNCC(O)COC 34a_100000756049_100000210314 [0,1,0,0,0,0|3,0,0]=4 3571 B12R0.1 CCCCCCNC[C@@H](O)CC#N 2230a_100000210581_100000001066 [0,1,0,0,0,0|2,0,1]=4 3572 B12R0.1 CCCCCCOCC(C)CCC 34a_100000210259_100011216630 [0,1,0,0,0,0|2,0,1]=4 3573 B12R0.1 CCCCCCOCC(C)CCC 34a_100000688023_100000210314 [0,1,0,0,0,0|2,0,1]=4 3574 B12R0.1 CCCCCCOCC(C)CCC 7a_100000210259_100011216630 [0,1,0,0,0,0|2,0,1]=4 3575 B12R0.1 CCCCCCOCC(C)CCC 7a_100000688023_100000210314 [0,1,0,0,0,0|2,0,1]=4 3576 B12R0.1 CCCCCCOCC(C)CCN 34a_106354213184_100000210314 [0,1,0,0,0,0|2,0,1]=4 3577 B12R0.1 CCCCCCOCC(N)COC 34a_100000724102_100000210314 [0,1,0,0,0,0|3,0,0]=4 3578 B12R0.1 CCCCCCOCC(O)COC 34a_100000210259_100011215053 [0,1,0,0,0,0|3,0,0]=4 3579 B12R0.1 CCCCCCOCC(O)COC 7a_100000210259_100011215053 [0,1,0,0,0,0|3,0,0]=4 3580 B12R0.1 CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210314 [0,1,0,0,0,0|2,0,1]=4 3581 B12R0.1 CCCCCCOC[C@@H](O)CC#N 7a_100000210259_100000001066 [0,1,0,0,0,0|2,0,1]=4 3582 B12R0.1 CCCCCCSCC(C)CCC 62a_100000210314_100011216630 [0,1,0,0,0,0|2,0,1]=4 3583 B12R0.1 CCCCCCSCC(C)CCC 62a_100011216630_100000210757 [0,1,0,0,0,0|2,0,1]=4 3584 B12R0.1 CCCCCCSCC(O)COC 62a_100000210314_100011215053 [0,1,0,0,0,0|3,0,0]=4 3585 B12R0.1 CCCCCCSCC(O)COC 62a_100011215053_100000210757 [0,1,0,0,0,0|3,0,0]=4 3586 B12R0.1 CCCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210757 [0,1,0,0,0,0|2,0,1]=4 3587 B12R0.1 CCCCCCSC[C@@H](O)CC#N 62a_100000210314_100000001066 [0,1,0,0,0,0|2,0,1]=4 3588 B12R0.1 CCCCCOCCC(C)CCC 34a_100011217855_100000718602 [0,1,0,0,0,0|2,0,1]=4 3589 B12R0.1 CCCCCOCCC(C)CCC 7a_100011217855_100000210326 [0,1,0,0,0,0|2,0,1]=4 3590 B12R0.1 CCCCCOCC[C@@H](N)CCC 34a_100015193777_100000718602 [0,1,0,0,0,0|2,0,1]=4 3591 B12R0.1 CCCCOCCCC(C)CCC 34a_100011713154_100000210210 [0,1,0,0,0,0|2,0,1]=4 3592 B12R0.1 CCCCOCCCC(C)CCC 7a_100011713154_100000210211 [0,1,0,0,0,0|2,0,1]=4 3593 B12R0.1 CCCN(C)CCCCCCC#N 2230a_100000747261_100009813337 [0,1,0,0,0,0|2,0,1]=4 3594 B12R0.1 CCCN(C)CCCCCCC#N 269982a_100000747261_100009813337 [0,1,0,0,0,0|2,0,1]=4 3595 B12R0.1 CCCN(C)CCCCCCCO 2230a_100000747261_100000760002 [0,1,0,0,0,0|1,0,2]=4 3596 B12R0.1 CCCN(C)CCCCCCCO 269982a_100000747261_100000760002 [0,1,0,0,0,0|1,0,2]=4 3597 B12R0.1 CCCN(C)CCCCCCOC 2230a_100000747261_100011998445 [0,1,0,0,0,0|3,0,0]=4 3598 B12R0.1 CCCN(C)CCCCCCOC 269982a_100000747261_100011998445 [0,1,0,0,0,0|3,0,0]=4 3599 B12R0.1 CCC[C@H](N)CCOCCCCF 34a_100015193777_100000729493 [0,1,0,0,0,0|2,0,1]=4 3600 B12R0.1 CCC[C@H](N)CCOCCCCO 34a_100015193777_100011216708 [0,1,0,0,0,0|1,0,2]=4 3601 B12R0.1 CCC[C@H](N)CCOCCCOC 34a_100015193777_100000740836 [0,1,0,0,0,0|3,0,0]=4 3602 B12R0.1 CCC[C@H](N)COCCCCCF 34a_100000732646_100000729378 [0,1,0,0,0,0|2,0,1]=4 3603 B12R0.1 CCC[C@H](N)COCCCCCO 34a_100000732646_100000746330 [0,1,0,0,0,0|1,0,2]=4 3604 B12R0.1 CCC[C@H](N)COCCCCOC 34a_100000732646_100000755781 [0,1,0,0,0,0|3,0,0]=4 3605 B12R0.1 CCNC(=O)CCSCCCC=O 62a_100000737597_200011292268 [0,1,0,0,0,0|2,0,1]=4 3606 B12R0.1 CCNC(=O)CCSCCCC=O 62a_200011292268_100000737597 [0,1,0,0,0,0|2,0,1]=4 3607 B12R0.1 CCNC(=O)CNCCCCC=O 2230a_100016988866_100000139335 [0,1,0,0,0,0|2,0,1]=4 3608 B12R0.1 CCNC(=O)CSCCCCC=O 62a_100000139335_100000183381 [0,1,0,0,0,0|2,0,1]=4 3609 B12R0.1 CCNC(=O)CSCCCCC=O 62a_100000183381_100000139335 [0,1,0,0,0,0|2,0,1]=4 3610 B12R0.1 CCOC(=O)CCCCSCC=O 62a_100000750268_200015260668 [0,1,0,0,0,0|2,0,1]=4 3611 B12R0.1 CCOC(=O)CCCCSCC=O 62a_200015260668_100000750268 [0,1,0,0,0,0|2,0,1]=4 3612 B12R0.1 CCOC(=O)CCSCCCC=O 62a_100000765890_200011292268 [0,1,0,0,0,0|2,0,1]=4 3613 B12R0.1 CCOC(=O)CCSCCCC=O 62a_200011292268_100000765890 [0,1,0,0,0,0|2,0,1]=4 3614 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000139335_100000188475 [0,1,0,0,0,0|2,0,1]=4 3615 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000188475_100000139335 [0,1,0,0,0,0|2,0,1]=4 3616 B12R0.1 COCC(C)SCCCCCC=O 62a_100000139337_100000765312 [0,1,0,0,0,0|2,0,0]=3 3617 B12R0.1 COCC(C)SCCCCCC=O 62a_100000765312_100000139337 [0,1,0,0,0,0|2,0,0]=3 3618 B12R0.1 COCC(O)CNCCCCC=O 2230a_100000756049_100000139335 [0,1,0,0,0,0|2,0,0]=3 3619 B12R0.1 COCC(O)CSCCCCC=O 62a_100000139335_100011215053 [0,1,0,0,0,0|2,0,0]=3 3620 B12R0.1 COCC(O)CSCCCCC=O 62a_100011215053_100000139335 [0,1,0,0,0,0|2,0,0]=3 3621 B12R0.1 COC[C@@H](C)NCCCCCC=O 2230a_100000764878_100000139337 [0,1,0,0,0,0|2,0,0]=3 3622 B12R0.1 C[C@@H](CC#N)NCCCCCC=O 2230a_100016994482_100000139337 [0,1,0,0,0,0|2,0,1]=4 3623 B12R0.1 C[C@H](CCO)NCCCCCC=O 2230a_100000706166_100000139337 [0,1,0,0,0,0|2,0,0]=3 3624 B12R0.1 N#CC[C@H](O)CSCCCCC=O 62a_100000001066_100000139335 [0,1,0,0,0,0|2,0,1]=4 3625 B12R0.1 N#CC[C@H](O)CSCCCCC=O 62a_100000139335_100000001066 [0,1,0,0,0,0|2,0,1]=4 3626 B12R0.5 C#CCCCCCCCCCOC 34a_100000034437_200000210301 [0,1,0,0,0,0|1,0,1]=3 3627 B12R0.5 C#CCCCCCCCCCOC 7a_100000034437_200000210301 [0,1,0,0,0,0|1,0,1]=3 3628 B12R0.5 C#CCCCCCCCCCO[13CH3] 34a_100000034437_200025704644 [0,1,0,0,0,0|1,0,1]=3 3629 B12R0.5 C#CCCCCCCCCCO[13CH3] 7a_100000034437_200025704644 [0,1,0,0,0,0|1,0,1]=3 3630 B12R0.5 C#CCCCCCCCCOCC 34a_100000065265_100000210202 [0,1,0,0,0,0|1,0,1]=3 3631 B12R0.5 C#CCCCCCCCCOCC 7a_100000065265_100000210202 [0,1,0,0,0,0|1,0,1]=3 3632 B12R0.5 C#CCCCCCCCCOCF 34a_100000065265_100015361967 [0,1,0,0,0,0|2,0,1]=4 3633 B12R0.5 C#CCCCCCCCCOCF 7a_100000065265_100015361967 [0,1,0,0,0,0|2,0,1]=4 3634 B12R0.5 C#CCCCCCCCNCC=C 2230a_100020586998_100153394163 [0,1,0,0,0,0|1,0,2]=4 3635 B12R0.5 C#CCCCCCCCNCCF 34a_100000724931_100153394163 [0,1,0,0,0,0|2,0,1]=4 3636 B12R0.5 C#CCCCCCCCNCCO 2230a_100016997473_100153394163 [0,1,0,0,0,0|2,0,1]=4 3637 B12R0.5 C#CCCCCCCCNCCO 34a_100016990907_100153394163 [0,1,0,0,0,0|2,0,1]=4 3638 B12R0.5 C#CCCCCCCCOCC=C 34a_100000054614_100015514636 [0,1,0,0,0,0|1,0,2]=4 3639 B12R0.5 C#CCCCCCCCOCC=C 34a_200000210373_100153394163 [0,1,0,0,0,0|1,0,2]=4 3640 B12R0.5 C#CCCCCCCCOCC=C 7a_100000054614_100015514636 [0,1,0,0,0,0|1,0,2]=4 3641 B12R0.5 C#CCCCCCCCOCC=O 34a_100000054614_200009817547 [0,1,0,0,0,0|0,0,2]=3 3642 B12R0.5 C#CCCCCCCCOCC=O 7a_100000054614_200015260668 [0,1,0,0,0,0|0,0,2]=3 3643 B12R0.5 C#CCCCCCCCOCCBr 34a_100000211926_100153394163 [0,1,0,0,0,0|2,0,1]=4 3644 B12R0.5 C#CCCCCCCCOCCC 34a_100000054614_100000210303 [0,1,0,0,0,0|1,0,1]=3 3645 B12R0.5 C#CCCCCCCCOCCC 34a_100000210258_100153394163 [0,1,0,0,0,0|1,0,1]=3 3646 B12R0.5 C#CCCCCCCCOCCC 7a_100000054614_100000210303 [0,1,0,0,0,0|1,0,1]=3 3647 B12R0.5 C#CCCCCCCCOCCF 34a_100000054614_100011217306 [0,1,0,0,0,0|2,0,1]=4 3648 B12R0.5 C#CCCCCCCCOCCF 7a_100000054614_100011217306 [0,1,0,0,0,0|2,0,1]=4 3649 B12R0.5 C#CCCCCCCCOCCN 34a_100000210304_100153394163 [0,1,0,0,0,0|2,0,1]=4 3650 B12R0.5 C#CCCCCCCCOCCO 34a_100000054614_100000211926 [0,1,0,0,0,0|2,0,1]=4 3651 B12R0.5 C#CCCCCCCCOCCO 7a_100000054614_100000211926 [0,1,0,0,0,0|2,0,1]=4 3652 B12R0.5 C#CCCCCCCCOCSC 34a_100000054614_100011218213 [0,1,0,0,0,0|2,0,1]=4 3653 B12R0.5 C#CCCCCCCCSCC=C 62a_100000210623_100153394163 [0,1,0,0,0,0|1,0,2]=4 3654 B12R0.5 C#CCCCCCCCSCC=C 62a_100153394163_100000210623 [0,1,0,0,0,0|1,0,2]=4 3655 B12R0.5 C#CCCCCCCCSCC=O 62a_100153394163_200015260668 [0,1,0,0,0,0|0,0,2]=3 3656 B12R0.5 C#CCCCCCCCSCC=O 62a_200015260668_100153394163 [0,1,0,0,0,0|0,0,2]=3 3657 B12R0.5 C#CCCCCCCCSCCC 62a_100000210303_100153394163 [0,1,0,0,0,0|1,0,1]=3 3658 B12R0.5 C#CCCCCCCCSCCC 62a_100153394163_100000210303 [0,1,0,0,0,0|1,0,1]=3 3659 B12R0.5 C#CCCCCCCCSCCF 62a_100011217306_100153394163 [0,1,0,0,0,0|2,0,1]=4 3660 B12R0.5 C#CCCCCCCCSCCF 62a_100153394163_100011217306 [0,1,0,0,0,0|2,0,1]=4 3661 B12R0.5 C#CCCCCCCCSCCO 62a_100000211926_100153394163 [0,1,0,0,0,0|2,0,1]=4 3662 B12R0.5 C#CCCCCCCCSCCO 62a_100153394163_100000211926 [0,1,0,0,0,0|2,0,1]=4 3663 B12R0.5 C#CCCCCCCCSCOC 62a_100000766300_100153394163 [0,1,0,0,0,0|2,0,1]=4 3664 B12R0.5 C#CCCCCCCCSCOC 62a_100153394163_100000766300 [0,1,0,0,0,0|2,0,1]=4 3665 B12R0.5 C#CCCCCCCCSCSC 62a_100011218213_100153394163 [0,1,0,0,0,0|2,0,1]=4 3666 B12R0.5 C#CCCCCCCCSCSC 62a_100153394163_100011218213 [0,1,0,0,0,0|2,0,1]=4 3667 B12R0.5 C#CCCCCCCNCCC=C 2230a_100015191253_100012276617 [0,1,0,0,0,0|1,0,2]=4 3668 B12R0.5 C#CCCCCCCNCCCC 2230a_100000102301_100012276617 [0,1,0,0,0,0|1,0,1]=3 3669 B12R0.5 C#CCCCCCCNCCCC 7a_106832991798_100012276617 [0,1,0,0,0,0|1,0,1]=3 3670 B12R0.5 C#CCCCCCCNCCCF 2230a_100015189416_100012276617 [0,1,0,0,0,0|2,0,1]=4 3671 B12R0.5 C#CCCCCCCNCCCF 34a_100015189416_100012276617 [0,1,0,0,0,0|2,0,1]=4 3672 B12R0.5 C#CCCCCCCNCCOC 2230a_100000209980_100012276617 [0,1,0,0,0,0|2,0,1]=4 3673 B12R0.5 C#CCCCCCCNCCSC 2230a_100020590264_100012276617 [0,1,0,0,0,0|2,0,1]=4 3674 B12R0.5 C#CCCCCCCOCCC=C 34a_100011205117_100012276617 [0,1,0,0,0,0|1,0,2]=4 3675 B12R0.5 C#CCCCCCCOCCC=C 34a_100011217361_100000754431 [0,1,0,0,0,0|1,0,2]=4 3676 B12R0.5 C#CCCCCCCOCCC=C 7a_100011217361_100000754431 [0,1,0,0,0,0|1,0,2]=4 3677 B12R0.5 C#CCCCCCCOCCCBr 34a_100011217188_100012276617 [0,1,0,0,0,0|2,0,1]=4 3678 B12R0.5 C#CCCCCCCOCCCC 34a_100000210227_100012276617 [0,1,0,0,0,0|1,0,1]=3 3679 B12R0.5 C#CCCCCCCOCCCC 34a_100011217361_100000210210 [0,1,0,0,0,0|1,0,1]=3 3680 B12R0.5 C#CCCCCCCOCCCC 7a_100000210227_100012276617 [0,1,0,0,0,0|1,0,1]=3 3681 B12R0.5 C#CCCCCCCOCCCC 7a_100011217361_100000210211 [0,1,0,0,0,0|1,0,1]=3 3682 B12R0.5 C#CCCCCCCOCCCCl 34a_100000230001_100012276617 [0,1,0,0,0,0|2,0,1]=4 3683 B12R0.5 C#CCCCCCCOCCCF 34a_100000759539_100012276617 [0,1,0,0,0,0|2,0,1]=4 3684 B12R0.5 C#CCCCCCCOCCCF 34a_100011217361_100011934791 [0,1,0,0,0,0|2,0,1]=4 3685 B12R0.5 C#CCCCCCCOCCCF 7a_100011217361_100011934791 [0,1,0,0,0,0|2,0,1]=4 3686 B12R0.5 C#CCCCCCCOCCCN 34a_100000182051_100012276617 [0,1,0,0,0,0|2,0,1]=4 3687 B12R0.5 C#CCCCCCCOCCCO 34a_100011217361_100000230001 [0,1,0,0,0,0|2,0,1]=4 3688 B12R0.5 C#CCCCCCCOCCCO 7a_100011217361_100011215043 [0,1,0,0,0,0|2,0,1]=4 3689 B12R0.5 C#CCCCCCCOCCOC 34a_100000210237_100012276617 [0,1,0,0,0,0|2,0,1]=4 3690 B12R0.5 C#CCCCCCCOCCOC 34a_100011217361_100011201679 [0,1,0,0,0,0|2,0,1]=4 3691 B12R0.5 C#CCCCCCCOCCOC 7a_100011217361_100000233755 [0,1,0,0,0,0|2,0,1]=4 3692 B12R0.5 C#CCCCCCCOCCSC 34a_100000230434_100012276617 [0,1,0,0,0,0|2,0,1]=4 3693 B12R0.5 C#CCCCCCCOCCSC 34a_100011217361_100000212216 [0,1,0,0,0,0|2,0,1]=4 3694 B12R0.5 C#CCCCCCCOCCSC 7a_100000230434_100012276617 [0,1,0,0,0,0|2,0,1]=4 3695 B12R0.5 C#CCCCCCCOCCSC 7a_100011217361_100000212216 [0,1,0,0,0,0|2,0,1]=4 3696 B12R0.5 C#CCCCCCCSCCC=C 62a_100000754431_100012276617 [0,1,0,0,0,0|1,0,2]=4 3697 B12R0.5 C#CCCCCCCSCCC=C 62a_100012276617_100000754431 [0,1,0,0,0,0|1,0,2]=4 3698 B12R0.5 C#CCCCCCCSCCCC 62a_100000210211_100012276617 [0,1,0,0,0,0|1,0,1]=3 3699 B12R0.5 C#CCCCCCCSCCCC 62a_100012276617_100000210210 [0,1,0,0,0,0|1,0,1]=3 3700 B12R0.5 C#CCCCCCCSCCCF 62a_100011934791_100012276617 [0,1,0,0,0,0|2,0,1]=4 3701 B12R0.5 C#CCCCCCCSCCCF 62a_100012276617_100011934791 [0,1,0,0,0,0|2,0,1]=4 3702 B12R0.5 C#CCCCCCCSCCCO 62a_100011215043_100012276617 [0,1,0,0,0,0|2,0,1]=4 3703 B12R0.5 C#CCCCCCCSCCCO 62a_100012276617_100011215043 [0,1,0,0,0,0|2,0,1]=4 3704 B12R0.5 C#CCCCCCCSCCOC 62a_100000233755_100012276617 [0,1,0,0,0,0|2,0,1]=4 3705 B12R0.5 C#CCCCCCCSCCOC 62a_100012276617_100000233755 [0,1,0,0,0,0|2,0,1]=4 3706 B12R0.5 C#CCCCCCCSCCSC 62a_100000212216_100012276617 [0,1,0,0,0,0|2,0,1]=4 3707 B12R0.5 C#CCCCCCCSCCSC 62a_100012276617_100000751147 [0,1,0,0,0,0|2,0,1]=4 3708 B12R0.5 C#CCCCCCCSCOCC 62a_100000739092_100012276617 [0,1,0,0,0,0|2,0,1]=4 3709 B12R0.5 C#CCCCCCCSCOCC 62a_100012276617_100000739092 [0,1,0,0,0,0|2,0,1]=4 3710 B12R0.5 C#CCCCCCNCCCC=C 2230a_100000700776_100012094781 [0,1,0,0,0,0|1,0,2]=4 3711 B12R0.5 C#CCCCCCNCCCC=C 34a_100000700776_100012094781 [0,1,0,0,0,0|1,0,2]=4 3712 B12R0.5 C#CCCCCCNCCCCC 2230a_100000209983_100012094781 [0,1,0,0,0,0|1,0,1]=3 3713 B12R0.5 C#CCCCCCNCCCCO 2230a_100000750430_100012094781 [0,1,0,0,0,0|2,0,1]=4 3714 B12R0.5 C#CCCCCCNCCCCO 34a_100000750430_100012094781 [0,1,0,0,0,0|2,0,1]=4 3715 B12R0.5 C#CCCCCCNCCCOC 34a_100150723488_100012094781 [0,1,0,0,0,0|2,0,1]=4 3716 B12R0.5 C#CCCCCCNCCCSC 2230a_100000749238_100012094781 [0,1,0,0,0,0|2,0,1]=4 3717 B12R0.5 C#CCCCCCNCCOCC 2230a_102516460346_100012094781 [0,1,0,0,0,0|2,0,1]=4 3718 B12R0.5 C#CCCCCCNCCOCC 34a_102516460346_100012094781 [0,1,0,0,0,0|2,0,1]=4 3719 B12R0.5 C#CCCCCCNCCSCC 2230a_100000106463_100012094781 [0,1,0,0,0,0|2,0,1]=4 3720 B12R0.5 C#CCCCCCOCCCC=C 34a_100000758997_100012094781 [0,1,0,0,0,0|1,0,2]=4 3721 B12R0.5 C#CCCCCCOCCCC=C 34a_100000766912_100000757094 [0,1,0,0,0,0|1,0,2]=4 3722 B12R0.5 C#CCCCCCOCCCC=C 7a_100000758997_100012094781 [0,1,0,0,0,0|1,0,2]=4 3723 B12R0.5 C#CCCCCCOCCCC=C 7a_100000766912_100000757094 [0,1,0,0,0,0|1,0,2]=4 3724 B12R0.5 C#CCCCCCOCCCC=O 7a_100000766912_200011292268 [0,1,0,0,0,0|0,0,2]=3 3725 B12R0.5 C#CCCCCCOCCCCBr 34a_100011216708_100012094781 [0,1,0,0,0,0|2,0,1]=4 3726 B12R0.5 C#CCCCCCOCCCCC 34a_100000210253_100012094781 [0,1,0,0,0,0|1,0,1]=3 3727 B12R0.5 C#CCCCCCOCCCCC 34a_100000766912_100000718602 [0,1,0,0,0,0|1,0,1]=3 3728 B12R0.5 C#CCCCCCOCCCCC 7a_100000210253_100012094781 [0,1,0,0,0,0|1,0,1]=3 3729 B12R0.5 C#CCCCCCOCCCCC 7a_100000766912_100000210326 [0,1,0,0,0,0|1,0,1]=3 3730 B12R0.5 C#CCCCCCOCCCCCl 34a_100000210776_100012094781 [0,1,0,0,0,0|2,0,1]=4 3731 B12R0.5 C#CCCCCCOCCCCCl 7a_100000210776_100012094781 [0,1,0,0,0,0|2,0,1]=4 3732 B12R0.5 C#CCCCCCOCCCCF 34a_100000766912_100000729493 [0,1,0,0,0,0|2,0,1]=4 3733 B12R0.5 C#CCCCCCOCCCCF 34a_100011995726_100012094781 [0,1,0,0,0,0|2,0,1]=4 3734 B12R0.5 C#CCCCCCOCCCCF 7a_100000766912_100000729493 [0,1,0,0,0,0|2,0,1]=4 3735 B12R0.5 C#CCCCCCOCCCCF 7a_100011995726_100012094781 [0,1,0,0,0,0|2,0,1]=4 3736 B12R0.5 C#CCCCCCOCCCCI 34a_200012148704_100012094781 [0,1,0,0,0,0|2,0,1]=4 3737 B12R0.5 C#CCCCCCOCCCCN 34a_100000750430_100012094781 [0,1,0,0,0,0|2,0,1]=4 3738 B12R0.5 C#CCCCCCOCCCCO 34a_100000766912_100011216708 [0,1,0,0,0,0|2,0,1]=4 3739 B12R0.5 C#CCCCCCOCCCCO 7a_100000766912_100000210776 [0,1,0,0,0,0|2,0,1]=4 3740 B12R0.5 C#CCCCCCOCCCNC 34a_100000213112_100012094781 [0,1,0,0,0,0|2,0,1]=4 3741 B12R0.5 C#CCCCCCOCCCOC 34a_100000740835_100012094781 [0,1,0,0,0,0|2,0,1]=4 3742 B12R0.5 C#CCCCCCOCCCOC 34a_100000766912_100000740836 [0,1,0,0,0,0|2,0,1]=4 3743 B12R0.5 C#CCCCCCOCCCOC 7a_100000766912_100000740836 [0,1,0,0,0,0|2,0,1]=4 3744 B12R0.5 C#CCCCCCOCCCSC 34a_100000690336_100012094781 [0,1,0,0,0,0|2,0,1]=4 3745 B12R0.5 C#CCCCCCOCCCSC 7a_100000690336_100012094781 [0,1,0,0,0,0|2,0,1]=4 3746 B12R0.5 C#CCCCCCOCCOCC 34a_100000210136_100012094781 [0,1,0,0,0,0|2,0,1]=4 3747 B12R0.5 C#CCCCCCOCCOCC 34a_100000766912_100000210147 [0,1,0,0,0,0|2,0,1]=4 3748 B12R0.5 C#CCCCCCOCCOCC 7a_100000210136_100012094781 [0,1,0,0,0,0|2,0,1]=4 3749 B12R0.5 C#CCCCCCOCCOCC 7a_100000766912_100011215890 [0,1,0,0,0,0|2,0,1]=4 3750 B12R0.5 C#CCCCCCOCCSCC 34a_100000212035_100012094781 [0,1,0,0,0,0|2,0,1]=4 3751 B12R0.5 C#CCCCCCOCCSCC 34a_100000766912_100000757381 [0,1,0,0,0,0|2,0,1]=4 3752 B12R0.5 C#CCCCCCOCCSCC 7a_100000212035_100012094781 [0,1,0,0,0,0|2,0,1]=4 3753 B12R0.5 C#CCCCCCOCCSCC 7a_100000766912_100000757381 [0,1,0,0,0,0|2,0,1]=4 3754 B12R0.5 C#CCCCCCSCCCC=C 62a_100011713584_100012094781 [0,1,0,0,0,0|1,0,2]=4 3755 B12R0.5 C#CCCCCCSCCCC=C 62a_100012094781_100000757094 [0,1,0,0,0,0|1,0,2]=4 3756 B12R0.5 C#CCCCCCSCCCC=O 62a_100012094781_200011292268 [0,1,0,0,0,0|0,0,2]=3 3757 B12R0.5 C#CCCCCCSCCCC=O 62a_200011292268_100012094781 [0,1,0,0,0,0|0,0,2]=3 3758 B12R0.5 C#CCCCCCSCCCCC 62a_100000210326_100012094781 [0,1,0,0,0,0|1,0,1]=3 3759 B12R0.5 C#CCCCCCSCCCCC 62a_100012094781_100000210326 [0,1,0,0,0,0|1,0,1]=3 3760 B12R0.5 C#CCCCCCSCCCCF 62a_100000729493_100012094781 [0,1,0,0,0,0|2,0,1]=4 3761 B12R0.5 C#CCCCCCSCCCCF 62a_100012094781_100000729493 [0,1,0,0,0,0|2,0,1]=4 3762 B12R0.5 C#CCCCCCSCCCCO 62a_100000210776_100012094781 [0,1,0,0,0,0|2,0,1]=4 3763 B12R0.5 C#CCCCCCSCCCCO 62a_100012094781_100000210776 [0,1,0,0,0,0|2,0,1]=4 3764 B12R0.5 C#CCCCCCSCCCOC 62a_100000709357_100012094781 [0,1,0,0,0,0|2,0,1]=4 3765 B12R0.5 C#CCCCCCSCCCOC 62a_100012094781_100000709357 [0,1,0,0,0,0|2,0,1]=4 3766 B12R0.5 C#CCCCCCSCCOCC 62a_100000210147_100012094781 [0,1,0,0,0,0|2,0,1]=4 3767 B12R0.5 C#CCCCCCSCCOCC 62a_100012094781_100011215890 [0,1,0,0,0,0|2,0,1]=4 3768 B12R0.5 C#CCCCCCSCCSCC 62a_100000757381_100012094781 [0,1,0,0,0,0|2,0,1]=4 3769 B12R0.5 C#CCCCCCSCCSCC 62a_100012094781_100000757381 [0,1,0,0,0,0|2,0,1]=4 3770 B12R0.5 C#CCCCCNCCCCC=C 2230a_100000703577_100010269958 [0,1,0,0,0,0|1,0,2]=4 3771 B12R0.5 C#CCCCCNCCCCC=C 2230a_100000706060_100011215482 [0,1,0,0,0,0|1,0,2]=4 3772 B12R0.5 C#CCCCCNCCCCC=C 34a_100000703577_100010269958 [0,1,0,0,0,0|1,0,2]=4 3773 B12R0.5 C#CCCCCNCCCCC=C 34a_100000706060_100011215482 [0,1,0,0,0,0|1,0,2]=4 3774 B12R0.5 C#CCCCCNCCCCC=O 2230a_100000706060_100000139335 [0,1,0,0,0,0|0,0,2]=3 3775 B12R0.5 C#CCCCCNCCCCCC 2230a_100000210581_100010269958 [0,1,0,0,0,0|1,0,1]=3 3776 B12R0.5 C#CCCCCNCCCCCC 2230a_100000706060_100000210314 [0,1,0,0,0,0|1,0,1]=3 3777 B12R0.5 C#CCCCCNCCCCCC 34a_100000706060_100000210314 [0,1,0,0,0,0|1,0,1]=3 3778 B12R0.5 C#CCCCCNCCCCCF 2230a_100000706060_100000729378 [0,1,0,0,0,0|2,0,1]=4 3779 B12R0.5 C#CCCCCNCCCCCF 34a_100000706060_100000729378 [0,1,0,0,0,0|2,0,1]=4 3780 B12R0.5 C#CCCCCNCCCCCO 2230a_100000706060_100000746330 [0,1,0,0,0,0|2,0,1]=4 3781 B12R0.5 C#CCCCCNCCCCCO 2230a_100000762737_100010269958 [0,1,0,0,0,0|2,0,1]=4 3782 B12R0.5 C#CCCCCNCCCCCO 34a_100000706060_100000746330 [0,1,0,0,0,0|2,0,1]=4 3783 B12R0.5 C#CCCCCNCCCCCO 34a_100000762737_100010269958 [0,1,0,0,0,0|2,0,1]=4 3784 B12R0.5 C#CCCCCNCCCCOC 2230a_100000706060_100000730899 [0,1,0,0,0,0|2,0,1]=4 3785 B12R0.5 C#CCCCCNCCCCOC 34a_100000706060_100000755781 [0,1,0,0,0,0|2,0,1]=4 3786 B12R0.5 C#CCCCCNCCCOCC 2230a_100000210961_100010269958 [0,1,0,0,0,0|2,0,1]=4 3787 B12R0.5 C#CCCCCNCCCOCC 2230a_100000706060_100012232248 [0,1,0,0,0,0|2,0,1]=4 3788 B12R0.5 C#CCCCCNCCCOCC 34a_100000210961_100010269958 [0,1,0,0,0,0|2,0,1]=4 3789 B12R0.5 C#CCCCCNCCCOCC 34a_100000706060_100012232248 [0,1,0,0,0,0|2,0,1]=4 3790 B12R0.5 C#CCCCCNCCOCCC 2230a_100000706060_100011215938 [0,1,0,0,0,0|2,0,1]=4 3791 B12R0.5 C#CCCCCNCCOCCC 2230a_100161115042_100010269958 [0,1,0,0,0,0|2,0,1]=4 3792 B12R0.5 C#CCCCCNCCOCCC 34a_100000706060_100011215938 [0,1,0,0,0,0|2,0,1]=4 3793 B12R0.5 C#CCCCCNCCOCCC 34a_100161115042_100010269958 [0,1,0,0,0,0|2,0,1]=4 3794 B12R0.5 C#CCCCCNCCSCCC 2230a_100020603323_100010269958 [0,1,0,0,0,0|2,0,1]=4 3795 B12R0.5 C#CCCCCNCOCCCC 2230a_100000706060_100011995733 [0,1,0,0,0,0|2,0,1]=4 3796 B12R0.5 C#CCCCCNCOCCCC 34a_100000706060_100011995733 [0,1,0,0,0,0|2,0,1]=4 3797 B12R0.5 C#CCCCCOCCCCC=C 34a_100000766645_100010269958 [0,1,0,0,0,0|1,0,2]=4 3798 B12R0.5 C#CCCCCOCCCCC=C 34a_100000766709_100011215482 [0,1,0,0,0,0|1,0,2]=4 3799 B12R0.5 C#CCCCCOCCCCC=C 7a_100000766645_100010269958 [0,1,0,0,0,0|1,0,2]=4 3800 B12R0.5 C#CCCCCOCCCCC=C 7a_100000766709_100011215482 [0,1,0,0,0,0|1,0,2]=4 3801 B12R0.5 C#CCCCCOCCCCC=O 7a_100000766709_100000139335 [0,1,0,0,0,0|0,0,2]=3 3802 B12R0.5 C#CCCCCOCCCCCBr 34a_100000746331_100010269958 [0,1,0,0,0,0|2,0,1]=4 3803 B12R0.5 C#CCCCCOCCCCCBr 7a_100000746331_100010269958 [0,1,0,0,0,0|2,0,1]=4 3804 B12R0.5 C#CCCCCOCCCCCC 34a_100000210259_100010269958 [0,1,0,0,0,0|1,0,1]=3 3805 B12R0.5 C#CCCCCOCCCCCC 34a_100000766709_100000210314 [0,1,0,0,0,0|1,0,1]=3 3806 B12R0.5 C#CCCCCOCCCCCC 7a_100000210259_100010269958 [0,1,0,0,0,0|1,0,1]=3 3807 B12R0.5 C#CCCCCOCCCCCC 7a_100000766709_100000210314 [0,1,0,0,0,0|1,0,1]=3 3808 B12R0.5 C#CCCCCOCCCCCCl 34a_100000746330_100010269958 [0,1,0,0,0,0|2,0,1]=4 3809 B12R0.5 C#CCCCCOCCCCCCl 7a_100000746330_100010269958 [0,1,0,0,0,0|2,0,1]=4 3810 B12R0.5 C#CCCCCOCCCCCF 34a_100000766709_100000729378 [0,1,0,0,0,0|2,0,1]=4 3811 B12R0.5 C#CCCCCOCCCCCF 7a_100000766709_100000729378 [0,1,0,0,0,0|2,0,1]=4 3812 B12R0.5 C#CCCCCOCCCCCI 34a_200012148887_100010269958 [0,1,0,0,0,0|2,0,1]=4 3813 B12R0.5 C#CCCCCOCCCCCI 7a_200012148887_100010269958 [0,1,0,0,0,0|2,0,1]=4 3814 B12R0.5 C#CCCCCOCCCCCN 34a_100000762737_100010269958 [0,1,0,0,0,0|2,0,1]=4 3815 B12R0.5 C#CCCCCOCCCCCO 34a_100000766709_100000746330 [0,1,0,0,0,0|2,0,1]=4 3816 B12R0.5 C#CCCCCOCCCCCO 7a_100000766709_100000746330 [0,1,0,0,0,0|2,0,1]=4 3817 B12R0.5 C#CCCCCOCCCCOC 34a_100000740925_100010269958 [0,1,0,0,0,0|2,0,1]=4 3818 B12R0.5 C#CCCCCOCCCCOC 34a_100000766709_100000755781 [0,1,0,0,0,0|2,0,1]=4 3819 B12R0.5 C#CCCCCOCCCCOC 7a_100000766709_100000730899 [0,1,0,0,0,0|2,0,1]=4 3820 B12R0.5 C#CCCCCOCCCCSC 34a_100011217163_100010269958 [0,1,0,0,0,0|2,0,1]=4 3821 B12R0.5 C#CCCCCOCCCCSC 7a_100011217163_100010269958 [0,1,0,0,0,0|2,0,1]=4 3822 B12R0.5 C#CCCCCOCCCOCC 34a_100000757476_100010269958 [0,1,0,0,0,0|2,0,1]=4 3823 B12R0.5 C#CCCCCOCCCOCC 34a_100000766709_100012232248 [0,1,0,0,0,0|2,0,1]=4 3824 B12R0.5 C#CCCCCOCCCOCC 7a_100000757476_100010269958 [0,1,0,0,0,0|2,0,1]=4 3825 B12R0.5 C#CCCCCOCCCOCC 7a_100000766709_100012232248 [0,1,0,0,0,0|2,0,1]=4 3826 B12R0.5 C#CCCCCOCCCSCC 34a_100011216438_100010269958 [0,1,0,0,0,0|2,0,1]=4 3827 B12R0.5 C#CCCCCOCCCSCC 7a_100011216438_100010269958 [0,1,0,0,0,0|2,0,1]=4 3828 B12R0.5 C#CCCCCOCCOCCC 34a_100000752267_100010269958 [0,1,0,0,0,0|2,0,1]=4 3829 B12R0.5 C#CCCCCOCCOCCC 34a_100000766709_100011215938 [0,1,0,0,0,0|2,0,1]=4 3830 B12R0.5 C#CCCCCOCCOCCC 7a_100000752267_100010269958 [0,1,0,0,0,0|2,0,1]=4 3831 B12R0.5 C#CCCCCOCCOCCC 7a_100000766709_100011215938 [0,1,0,0,0,0|2,0,1]=4 3832 B12R0.5 C#CCCCCOCCSCCC 34a_200000230433_100010269958 [0,1,0,0,0,0|2,0,1]=4 3833 B12R0.5 C#CCCCCOCCSCCC 7a_200000230433_100010269958 [0,1,0,0,0,0|2,0,1]=4 3834 B12R0.5 C#CCCCCOCOCCCC 34a_100000766709_100011995733 [0,1,0,0,0,0|2,0,1]=4 3835 B12R0.5 C#CCCCCSCCCCC=C 62a_100010269958_100011215482 [0,1,0,0,0,0|1,0,2]=4 3836 B12R0.5 C#CCCCCSCCCCC=C 62a_100011215482_100010269958 [0,1,0,0,0,0|1,0,2]=4 3837 B12R0.5 C#CCCCCSCCCCC=O 62a_100000139335_100010269958 [0,1,0,0,0,0|0,0,2]=3 3838 B12R0.5 C#CCCCCSCCCCC=O 62a_100010269958_100000139335 [0,1,0,0,0,0|0,0,2]=3 3839 B12R0.5 C#CCCCCSCCCCCC 62a_100000210314_100010269958 [0,1,0,0,0,0|1,0,1]=3 3840 B12R0.5 C#CCCCCSCCCCCC 62a_100010269958_100000210757 [0,1,0,0,0,0|1,0,1]=3 3841 B12R0.5 C#CCCCCSCCCCCF 62a_100000729378_100010269958 [0,1,0,0,0,0|2,0,1]=4 3842 B12R0.5 C#CCCCCSCCCCCF 62a_100010269958_100000729378 [0,1,0,0,0,0|2,0,1]=4 3843 B12R0.5 C#CCCCCSCCCCCO 62a_100000746330_100010269958 [0,1,0,0,0,0|2,0,1]=4 3844 B12R0.5 C#CCCCCSCCCCCO 62a_100010269958_100000746330 [0,1,0,0,0,0|2,0,1]=4 3845 B12R0.5 C#CCCCCSCCCCOC 62a_100000730899_100010269958 [0,1,0,0,0,0|2,0,1]=4 3846 B12R0.5 C#CCCCCSCCCCOC 62a_100010269958_100000730899 [0,1,0,0,0,0|2,0,1]=4 3847 B12R0.5 C#CCCCCSCCCOCC 62a_100010269958_100012232248 [0,1,0,0,0,0|2,0,1]=4 3848 B12R0.5 C#CCCCCSCCCOCC 62a_100012232248_100010269958 [0,1,0,0,0,0|2,0,1]=4 3849 B12R0.5 C#CCCCCSCCOCCC 62a_100010269958_100011215938 [0,1,0,0,0,0|2,0,1]=4 3850 B12R0.5 C#CCCCCSCCOCCC 62a_100011215938_100010269958 [0,1,0,0,0,0|2,0,1]=4 3851 B12R0.5 C#CCCCCSCOCCCC 62a_100010269958_100011995733 [0,1,0,0,0,0|2,0,1]=4 3852 B12R0.5 C#CCCCCSCOCCCC 62a_100011995733_100010269958 [0,1,0,0,0,0|2,0,1]=4 3853 B12R0.5 C#CCCCNCCCCCC=C 34a_100000718082_100000700193 [0,1,0,0,0,0|1,0,2]=4 3854 B12R0.5 C#CCCCNCCCCCCC 2230a_100000229938_100000731252 [0,1,0,0,0,0|1,0,1]=3 3855 B12R0.5 C#CCCCNCCCCCCC 34a_100000718082_100000210614 [0,1,0,0,0,0|1,0,1]=3 3856 B12R0.5 C#CCCCNCCCCCCF 34a_100000718082_100015922095 [0,1,0,0,0,0|2,0,1]=4 3857 B12R0.5 C#CCCCNCCCCCCO 2230a_100000686447_100000731252 [0,1,0,0,0,0|2,0,1]=4 3858 B12R0.5 C#CCCCNCCCCCCO 34a_100000686447_100000695029 [0,1,0,0,0,0|2,0,1]=4 3859 B12R0.5 C#CCCCNCCCCCCO 34a_100000718082_100000766143 [0,1,0,0,0,0|2,0,1]=4 3860 B12R0.5 C#CCCCNCCCCCOC 2230a_100000747528_100000731252 [0,1,0,0,0,0|2,0,1]=4 3861 B12R0.5 C#CCCCNCCCCCOC 34a_100000747528_100000695029 [0,1,0,0,0,0|2,0,1]=4 3862 B12R0.5 C#CCCCNCCCOCCC 2230a_100011217757_100000731252 [0,1,0,0,0,0|2,0,1]=4 3863 B12R0.5 C#CCCCNCCCOCCC 34a_100011217757_100000695029 [0,1,0,0,0,0|2,0,1]=4 3864 B12R0.5 C#CCCCNCCOCCCC 34a_100000718082_100000743108 [0,1,0,0,0,0|2,0,1]=4 3865 B12R0.5 C#CCCCNCCSCCCC 2230a_100025743550_100000731252 [0,1,0,0,0,0|2,0,1]=4 3866 B12R0.5 C#CCCCOCCCCCC=C 34a_100000215630_100000700193 [0,1,0,0,0,0|1,0,2]=4 3867 B12R0.5 C#CCCCOCCCCCC=C 34a_100011216702_100000695029 [0,1,0,0,0,0|1,0,2]=4 3868 B12R0.5 C#CCCCOCCCCCC=C 7a_100000215630_100000700193 [0,1,0,0,0,0|1,0,2]=4 3869 B12R0.5 C#CCCCOCCCCCC=C 7a_100011216702_100011215417 [0,1,0,0,0,0|1,0,2]=4 3870 B12R0.5 C#CCCCOCCCCCC=O 7a_100000215630_100000139337 [0,1,0,0,0,0|0,0,2]=3 3871 B12R0.5 C#CCCCOCCCCCCBr 34a_100011215345_100000695029 [0,1,0,0,0,0|2,0,1]=4 3872 B12R0.5 C#CCCCOCCCCCCBr 7a_100011215345_100011215417 [0,1,0,0,0,0|2,0,1]=4 3873 B12R0.5 C#CCCCOCCCCCCC 34a_100000210272_100000695029 [0,1,0,0,0,0|1,0,1]=3 3874 B12R0.5 C#CCCCOCCCCCCC 34a_100000215630_100000210614 [0,1,0,0,0,0|1,0,1]=3 3875 B12R0.5 C#CCCCOCCCCCCC 7a_100000210272_100011215417 [0,1,0,0,0,0|1,0,1]=3 3876 B12R0.5 C#CCCCOCCCCCCC 7a_100000215630_100000210614 [0,1,0,0,0,0|1,0,1]=3 3877 B12R0.5 C#CCCCOCCCCCCCl 34a_100000766143_100000695029 [0,1,0,0,0,0|2,0,1]=4 3878 B12R0.5 C#CCCCOCCCCCCCl 7a_100000766143_100011215417 [0,1,0,0,0,0|2,0,1]=4 3879 B12R0.5 C#CCCCOCCCCCCF 34a_100000215630_100015922095 [0,1,0,0,0,0|2,0,1]=4 3880 B12R0.5 C#CCCCOCCCCCCF 34a_100000732779_100000695029 [0,1,0,0,0,0|2,0,1]=4 3881 B12R0.5 C#CCCCOCCCCCCF 7a_100000215630_100015922095 [0,1,0,0,0,0|2,0,1]=4 3882 B12R0.5 C#CCCCOCCCCCCF 7a_100000732779_100011215417 [0,1,0,0,0,0|2,0,1]=4 3883 B12R0.5 C#CCCCOCCCCCCN 34a_100000686447_100000695029 [0,1,0,0,0,0|2,0,1]=4 3884 B12R0.5 C#CCCCOCCCCCCO 34a_100000215630_100000766143 [0,1,0,0,0,0|2,0,1]=4 3885 B12R0.5 C#CCCCOCCCCCCO 7a_100000215630_100000766143 [0,1,0,0,0,0|2,0,1]=4 3886 B12R0.5 C#CCCCOCCCCCNC 34a_100000722520_100000695029 [0,1,0,0,0,0|2,0,1]=4 3887 B12R0.5 C#CCCCOCCOCCCC 34a_100000210238_100000695029 [0,1,0,0,0,0|2,0,1]=4 3888 B12R0.5 C#CCCCOCCOCCCC 34a_100000215630_100000743108 [0,1,0,0,0,0|2,0,1]=4 3889 B12R0.5 C#CCCCOCCOCCCC 7a_100000210238_100011215417 [0,1,0,0,0,0|2,0,1]=4 3890 B12R0.5 C#CCCCOCCOCCCC 7a_100000215630_100000743108 [0,1,0,0,0,0|2,0,1]=4 3891 B12R0.5 C#CCCCOCCSCCCC 34a_200000230436_100000695029 [0,1,0,0,0,0|2,0,1]=4 3892 B12R0.5 C#CCCCOCCSCCCC 7a_200000230436_100011215417 [0,1,0,0,0,0|2,0,1]=4 3893 B12R0.5 C#CCCCSCCCCCC=C 62a_100000700193_100011215417 [0,1,0,0,0,0|1,0,2]=4 3894 B12R0.5 C#CCCCSCCCCCC=C 62a_100011215417_100000700193 [0,1,0,0,0,0|1,0,2]=4 3895 B12R0.5 C#CCCCSCCCCCC=O 62a_100000139337_100011215417 [0,1,0,0,0,0|0,0,2]=3 3896 B12R0.5 C#CCCCSCCCCCC=O 62a_100011215417_100000139337 [0,1,0,0,0,0|0,0,2]=3 3897 B12R0.5 C#CCCCSCCCCCCC 62a_100000210614_100011215417 [0,1,0,0,0,0|1,0,1]=3 3898 B12R0.5 C#CCCCSCCCCCCC 62a_100011215417_100000210316 [0,1,0,0,0,0|1,0,1]=3 3899 B12R0.5 C#CCCCSCCCCCCF 62a_100011215417_100015922095 [0,1,0,0,0,0|2,0,1]=4 3900 B12R0.5 C#CCCCSCCCCCCF 62a_100015922095_100011215417 [0,1,0,0,0,0|2,0,1]=4 3901 B12R0.5 C#CCCCSCCCCCCO 62a_100000766143_100011215417 [0,1,0,0,0,0|2,0,1]=4 3902 B12R0.5 C#CCCCSCCCCCCO 62a_100011215417_100000766143 [0,1,0,0,0,0|2,0,1]=4 3903 B12R0.5 C#CCCCSCCOCCCC 62a_100000743108_100011215417 [0,1,0,0,0,0|2,0,1]=4 3904 B12R0.5 C#CCCCSCCOCCCC 62a_100011215417_100000743108 [0,1,0,0,0,0|2,0,1]=4 3905 B12R0.5 C#CCCNCCCCCCC=C 34a_100000755551_100011215473 [0,1,0,0,0,0|1,0,2]=4 3906 B12R0.5 C#CCCNCCCCCCCC 2230a_100000229939_100000688953 [0,1,0,0,0,0|1,0,1]=3 3907 B12R0.5 C#CCCNCCCCCCCC 34a_100000229939_100000688953 [0,1,0,0,0,0|1,0,1]=3 3908 B12R0.5 C#CCCNCCCCCCCC 34a_100000755551_100000210759 [0,1,0,0,0,0|1,0,1]=3 3909 B12R0.5 C#CCCNCCCCCCCO 2230a_100011996573_100000688953 [0,1,0,0,0,0|2,0,1]=4 3910 B12R0.5 C#CCCNCCCCCCCO 34a_100000755551_100000760002 [0,1,0,0,0,0|2,0,1]=4 3911 B12R0.5 C#CCCNCCCCCCCO 34a_100011996573_100000688953 [0,1,0,0,0,0|2,0,1]=4 3912 B12R0.5 C#CCCNCCCCCCOC 34a_100000755551_100011998445 [0,1,0,0,0,0|2,0,1]=4 3913 B12R0.5 C#CCCNCCCOCCCC 2230a_200000211371_100000688953 [0,1,0,0,0,0|2,0,1]=4 3914 B12R0.5 C#CCCNCCCOCCCC 34a_200000211371_100000688953 [0,1,0,0,0,0|2,0,1]=4 3915 B12R0.5 C#CCCOCCCCCCC=C 34a_100011215631_100011215473 [0,1,0,0,0,0|1,0,2]=4 3916 B12R0.5 C#CCCOCCCCCCC=C 34a_200011216477_100000688953 [0,1,0,0,0,0|1,0,2]=4 3917 B12R0.5 C#CCCOCCCCCCC=C 7a_200011216477_100000688953 [0,1,0,0,0,0|1,0,2]=4 3918 B12R0.5 C#CCCOCCCCCCCBr 34a_100000760002_100000688953 [0,1,0,0,0,0|2,0,1]=4 3919 B12R0.5 C#CCCOCCCCCCCBr 7a_100000760002_100000688953 [0,1,0,0,0,0|2,0,1]=4 3920 B12R0.5 C#CCCOCCCCCCCC 34a_100000210232_100000688953 [0,1,0,0,0,0|1,0,1]=3 3921 B12R0.5 C#CCCOCCCCCCCC 34a_100011215631_100000210759 [0,1,0,0,0,0|1,0,1]=3 3922 B12R0.5 C#CCCOCCCCCCCC 7a_100000210232_100000688953 [0,1,0,0,0,0|1,0,1]=3 3923 B12R0.5 C#CCCOCCCCCCCN 34a_100011996573_100000688953 [0,1,0,0,0,0|2,0,1]=4 3924 B12R0.5 C#CCCOCCCCCCCO 34a_100011215631_100000760002 [0,1,0,0,0,0|2,0,1]=4 3925 B12R0.5 C#CCCOCCCCCCOC 34a_100011215631_100011998445 [0,1,0,0,0,0|2,0,1]=4 3926 B12R0.5 C#CCCOCCCCCCOC 34a_200012092642_100000688953 [0,1,0,0,0,0|2,0,1]=4 3927 B12R0.5 C#CCCOCCCCCCOC 7a_200012092642_100000688953 [0,1,0,0,0,0|2,0,1]=4 3928 B12R0.5 C#CCCOCCCOCCCC 34a_200011215613_100000688953 [0,1,0,0,0,0|2,0,1]=4 3929 B12R0.5 C#CCCOCCCOCCCC 7a_200011215613_100000688953 [0,1,0,0,0,0|2,0,1]=4 3930 B12R0.5 C#CCCOCCNCCCCC 34a_100000224656_100000688953 [0,1,0,0,0,0|2,0,1]=4 3931 B12R0.5 C#CCCOCCOCCCCC 34a_100011215259_100000688953 [0,1,0,0,0,0|2,0,1]=4 3932 B12R0.5 C#CCCOCCOCCCCC 7a_100011215259_100000688953 [0,1,0,0,0,0|2,0,1]=4 3933 B12R0.5 C#CCCSCCCCCCC=C 62a_100000688953_100011215473 [0,1,0,0,0,0|1,0,2]=4 3934 B12R0.5 C#CCCSCCCCCCC=C 62a_100011215473_100000688953 [0,1,0,0,0,0|1,0,2]=4 3935 B12R0.5 C#CCCSCCCCCCCC 62a_100000210759_100000688953 [0,1,0,0,0,0|1,0,1]=3 3936 B12R0.5 C#CCCSCCCCCCCC 62a_100000688953_100000210317 [0,1,0,0,0,0|1,0,1]=3 3937 B12R0.5 C#CCCSCCCCCCCO 62a_100000688953_100000760002 [0,1,0,0,0,0|2,0,1]=4 3938 B12R0.5 C#CCCSCCCCCCCO 62a_100000760002_100000688953 [0,1,0,0,0,0|2,0,1]=4 3939 B12R0.5 C#CCCSCCCCCCOC 62a_100000688953_100011998445 [0,1,0,0,0,0|2,0,1]=4 3940 B12R0.5 C#CCCSCCCCCCOC 62a_100011998445_100000688953 [0,1,0,0,0,0|2,0,1]=4 3941 B12R0.5 C#CCNCCCCCCCC=C 34a_100000212058_100012355270 [0,1,0,0,0,0|1,0,2]=4 3942 B12R0.5 C#CCNCCCCCCCCC 2230a_100000212291_100000038162 [0,1,0,0,0,0|1,0,1]=3 3943 B12R0.5 C#CCNCCCCCCCCC 34a_100000212058_100011214924 [0,1,0,0,0,0|1,0,1]=3 3944 B12R0.5 C#CCNCCCCCCCCC 34a_100000212291_100000184674 [0,1,0,0,0,0|1,0,1]=3 3945 B12R0.5 C#CCNCCCCCCCCO 2230a_102515433106_100000038162 [0,1,0,0,0,0|2,0,1]=4 3946 B12R0.5 C#CCNCCCCCCCCO 34a_100000212058_100000033203 [0,1,0,0,0,0|2,0,1]=4 3947 B12R0.5 C#CCNCCCCCCCCO 34a_102515433106_100000184674 [0,1,0,0,0,0|2,0,1]=4 3948 B12R0.5 C#CCOCCCCCCCC=C 34a_100000210247_100012355270 [0,1,0,0,0,0|1,0,2]=4 3949 B12R0.5 C#CCOCCCCCCCC=C 34a_100000730831_100000184674 [0,1,0,0,0,0|1,0,2]=4 3950 B12R0.5 C#CCOCCCCCCCC=C 7a_100000730831_100000038162 [0,1,0,0,0,0|1,0,2]=4 3951 B12R0.5 C#CCOCCCCCCCCBr 34a_100009813846_100000184674 [0,1,0,0,0,0|2,0,1]=4 3952 B12R0.5 C#CCOCCCCCCCCBr 7a_100009813846_100000038162 [0,1,0,0,0,0|2,0,1]=4 3953 B12R0.5 C#CCOCCCCCCCCC 34a_100000210247_100011214924 [0,1,0,0,0,0|1,0,1]=3 3954 B12R0.5 C#CCOCCCCCCCCC 34a_100000210712_100000184674 [0,1,0,0,0,0|1,0,1]=3 3955 B12R0.5 C#CCOCCCCCCCCC 7a_100000210712_100000038162 [0,1,0,0,0,0|1,0,1]=3 3956 B12R0.5 C#CCOCCCCCCCCCl 34a_100000033203_100000184674 [0,1,0,0,0,0|2,0,1]=4 3957 B12R0.5 C#CCOCCCCCCCCCl 7a_100000033203_100000038162 [0,1,0,0,0,0|2,0,1]=4 3958 B12R0.5 C#CCOCCCCCCCCN 34a_102515433106_100000184674 [0,1,0,0,0,0|2,0,1]=4 3959 B12R0.5 C#CCOCCCCCCCCO 34a_100000210247_100000033203 [0,1,0,0,0,0|2,0,1]=4 3960 B12R0.5 C#CCOCCCCCCOCC 34a_200011021349_100000210202 [0,1,0,0,0,0|2,0,1]=4 3961 B12R0.5 C#CCOCCCCCCOCC 7a_200011021349_100000210202 [0,1,0,0,0,0|2,0,1]=4 3962 B12R0.5 C#CCOCCCCNCCCC 34a_200011216965_100000184674 [0,1,0,0,0,0|2,0,1]=4 3963 B12R0.5 C#CCOCCCCOCCCC 34a_200000760531_100000184674 [0,1,0,0,0,0|2,0,1]=4 3964 B12R0.5 C#CCOCCCCOCCCC 7a_200000760531_100000038162 [0,1,0,0,0,0|2,0,1]=4 3965 B12R0.5 C#CCOCCNCCCCC=O 2230a_100000700922_100000139335 [0,1,0,0,0,0|1,0,2]=4 3966 B12R0.5 C#CCOCCNCCCCCC 2230a_100000210581_100010402529 [0,1,0,0,0,0|2,0,1]=4 3967 B12R0.5 C#CCOCCNCCCCCC 2230a_100000700922_100000210314 [0,1,0,0,0,0|2,0,1]=4 3968 B12R0.5 C#CCOCCNCCCCCC 34a_100000700922_100000210314 [0,1,0,0,0,0|2,0,1]=4 3969 B12R0.5 C#CCOCCOCCCCC=O 7a_100000054580_100000139335 [0,1,0,0,0,0|1,0,2]=4 3970 B12R0.5 C#CCOCCOCCCCCC 34a_100000054580_100000210314 [0,1,0,0,0,0|2,0,1]=4 3971 B12R0.5 C#CCOCCOCCCCCC 34a_100000210259_100010402529 [0,1,0,0,0,0|2,0,1]=4 3972 B12R0.5 C#CCOCCOCCCCCC 34a_100000691444_100000184674 [0,1,0,0,0,0|2,0,1]=4 3973 B12R0.5 C#CCOCCOCCCCCC 7a_100000054580_100000210314 [0,1,0,0,0,0|2,0,1]=4 3974 B12R0.5 C#CCOCCOCCCCCC 7a_100000210259_100010402529 [0,1,0,0,0,0|2,0,1]=4 3975 B12R0.5 C#CCOCCOCCCCCC 7a_100000691444_100000038162 [0,1,0,0,0,0|2,0,1]=4 3976 B12R0.5 C#CCOCCSCCCCC=O 62a_100000139335_100010402529 [0,1,0,0,0,0|1,0,2]=4 3977 B12R0.5 C#CCOCCSCCCCC=O 62a_100010402529_100000139335 [0,1,0,0,0,0|1,0,2]=4 3978 B12R0.5 C#CCOCCSCCCCCC 62a_100000210314_100010402529 [0,1,0,0,0,0|2,0,1]=4 3979 B12R0.5 C#CCOCCSCCCCCC 62a_100010402529_100000210757 [0,1,0,0,0,0|2,0,1]=4 3980 B12R0.5 C#CCSCCCCCCCC=C 62a_100000038162_100012355270 [0,1,0,0,0,0|1,0,2]=4 3981 B12R0.5 C#CCSCCCCCCCCC 62a_100000038162_100000210670 [0,1,0,0,0,0|1,0,1]=3 3982 B12R0.5 C#CCSCCCCCCCCO 62a_100000038162_100000033203 [0,1,0,0,0,0|2,0,1]=4 3983 B12R0.5 C/C=C/CCOCCCCCCC 34a_100016278192_100000210614 [0,1,0,0,0,0|1,0,1]=3 3984 B12R0.5 C/C=C/CCOCCCCCCF 34a_100016278192_100015922095 [0,1,0,0,0,0|2,0,1]=4 3985 B12R0.5 C/C=C/CCOCCCCCCO 34a_100016278192_100000766143 [0,1,0,0,0,0|2,0,1]=4 3986 B12R0.5 C/C=C/CCOCCOCCCC 34a_100016278192_100000743108 [0,1,0,0,0,0|2,0,1]=4 3987 B12R0.5 C/C=C/CNCCCCCCCC 34a_100000229939_100102629194 [0,1,0,0,0,0|1,0,1]=3 3988 B12R0.5 C/C=C/CNCCCCCCCO 34a_100011996573_100102629194 [0,1,0,0,0,0|2,0,1]=4 3989 B12R0.5 C/C=C/CNCCCOCCCC 34a_200000211371_100102629194 [0,1,0,0,0,0|2,0,1]=4 3990 B12R0.5 C/C=C/COCCCCCCCBr 34a_100000760002_100102629194 [0,1,0,0,0,0|2,0,1]=4 3991 B12R0.5 C/C=C/COCCCCCCCBr 7a_100000760002_100102629194 [0,1,0,0,0,0|2,0,1]=4 3992 B12R0.5 C/C=C/COCCCCCCCC 34a_100000210232_100102629194 [0,1,0,0,0,0|1,0,1]=3 3993 B12R0.5 C/C=C/COCCCCCCCC 34a_100016270725_100000210759 [0,1,0,0,0,0|1,0,1]=3 3994 B12R0.5 C/C=C/COCCCCCCCC 7a_100000210232_100102629194 [0,1,0,0,0,0|1,0,1]=3 3995 B12R0.5 C/C=C/COCCCCCCCN 34a_100011996573_100102629194 [0,1,0,0,0,0|2,0,1]=4 3996 B12R0.5 C/C=C/COCCCCCCCO 34a_100016270725_100000760002 [0,1,0,0,0,0|2,0,1]=4 3997 B12R0.5 C/C=C/COCCCCCCOC 34a_100016270725_100011998445 [0,1,0,0,0,0|2,0,1]=4 3998 B12R0.5 C/C=C/COCCCCCCOC 34a_200012092642_100102629194 [0,1,0,0,0,0|2,0,1]=4 3999 B12R0.5 C/C=C/COCCCCCCOC 7a_200012092642_100102629194 [0,1,0,0,0,0|2,0,1]=4 4000 B12R0.5 C/C=C/COCCCOCCCC 34a_200011215613_100102629194 [0,1,0,0,0,0|2,0,1]=4 4001 B12R0.5 C/C=C/COCCCOCCCC 7a_200011215613_100102629194 [0,1,0,0,0,0|2,0,1]=4 4002 B12R0.5 C/C=C/COCCNCCCCC 34a_100000224656_100102629194 [0,1,0,0,0,0|2,0,1]=4 4003 B12R0.5 C/C=C/COCCOCCCCC 34a_100011215259_100102629194 [0,1,0,0,0,0|2,0,1]=4 4004 B12R0.5 C/C=C/COCCOCCCCC 7a_100011215259_100102629194 [0,1,0,0,0,0|2,0,1]=4 4005 B12R0.5 C/C=C/CSCCCCCCCC 62a_100000210759_100102629194 [0,1,0,0,0,0|1,0,1]=3 4006 B12R0.5 C/C=C/CSCCCCCCCC 62a_100102629194_100000210317 [0,1,0,0,0,0|1,0,1]=3 4007 B12R0.5 C/C=C/CSCCCCCCCO 62a_100000760002_100102629194 [0,1,0,0,0,0|2,0,1]=4 4008 B12R0.5 C/C=C/CSCCCCCCCO 62a_100102629194_100000760002 [0,1,0,0,0,0|2,0,1]=4 4009 B12R0.5 C/C=C/CSCCCCCCOC 62a_100011998445_100102629194 [0,1,0,0,0,0|2,0,1]=4 4010 B12R0.5 C/C=C/CSCCCCCCOC 62a_100102629194_100011998445 [0,1,0,0,0,0|2,0,1]=4 4011 B12R0.5 C=CCCC/C=C/COCCCC 34a_200016268473_100000210210 [0,1,0,0,0,0|1,0,2]=4 4012 B12R0.5 C=CCCC/C=C/COCCCC 7a_200016268473_100000210211 [0,1,0,0,0,0|1,0,2]=4 4013 B12R0.5 C=CCCCCCCCCCNC 2230a_100000081888_200000210301 [0,1,0,0,0,0|1,0,0]=2 4014 B12R0.5 C=CCCCCCCCCCNC 2230a_106832991635_100009814027 [0,1,0,0,0,0|1,0,0]=2 4015 B12R0.5 C=CCCCCCCCCCNC 34a_100000081888_200000210301 [0,1,0,0,0,0|1,0,0]=2 4016 B12R0.5 C=CCCCCCCCCCNC 34a_100102657272_100009814027 [0,1,0,0,0,0|1,0,0]=2 4017 B12R0.5 C=CCCCCCCCCCNC 7a_106832991635_100009814027 [0,1,0,0,0,0|1,0,0]=2 4018 B12R0.5 C=CCCCCCCCCCN[13CH3] 2230a_100000081888_200025704644 [0,1,0,0,0,0|1,0,0]=2 4019 B12R0.5 C=CCCCCCCCCCN[13CH3] 34a_100000081888_200025704644 [0,1,0,0,0,0|1,0,0]=2 4020 B12R0.5 C=CCCCCCCCCCOC 34a_100000038209_200000210301 [0,1,0,0,0,0|1,0,0]=2 4021 B12R0.5 C=CCCCCCCCCCOC 34a_100138415774_100009814027 [0,1,0,0,0,0|1,0,0]=2 4022 B12R0.5 C=CCCCCCCCCCOC 7a_100000038209_200000210301 [0,1,0,0,0,0|1,0,0]=2 4023 B12R0.5 C=CCCCCCCCCCO[13CH3] 34a_100000038209_200025704644 [0,1,0,0,0,0|1,0,0]=2 4024 B12R0.5 C=CCCCCCCCCCO[13CH3] 7a_100000038209_200025704644 [0,1,0,0,0,0|1,0,0]=2 4025 B12R0.5 C=CCCCCCCCCCSC 62a_100009814027_200000210301 [0,1,0,0,0,0|1,0,0]=2 4026 B12R0.5 C=CCCCCCCCCCSC 62a_200000210301_100009814027 [0,1,0,0,0,0|1,0,0]=2 4027 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_100009814027_200025704644 [0,1,0,0,0,0|1,0,0]=2 4028 B12R0.5 C=CCCCCCCCCCS[13CH3] 62a_200025704644_100009814027 [0,1,0,0,0,0|1,0,0]=2 4029 B12R0.5 C=CCCCCCCCCNCC 2230a_100015525214_100011933949 [0,1,0,0,0,0|1,0,0]=2 4030 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [0,1,0,0,0,0|1,0,0]=2 4031 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [0,1,0,0,0,0|1,0,0]=2 4032 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [0,1,0,0,0,0|1,0,0]=2 4033 B12R0.5 C=CCCCCCCCCOCF 34a_100011215194_100015361967 [0,1,0,0,0,0|2,0,0]=3 4034 B12R0.5 C=CCCCCCCCCOCF 7a_100011215194_100015361967 [0,1,0,0,0,0|2,0,0]=3 4035 B12R0.5 C=CCCCCCCCCSCC 62a_100000210202_100011933949 [0,1,0,0,0,0|1,0,0]=2 4036 B12R0.5 C=CCCCCCCCCSCC 62a_100011933949_100000210202 [0,1,0,0,0,0|1,0,0]=2 4037 B12R0.5 C=CCCCCCCCCSCF 62a_100011933949_100015361967 [0,1,0,0,0,0|2,0,0]=3 4038 B12R0.5 C=CCCCCCCCCSCF 62a_100015361967_100011933949 [0,1,0,0,0,0|2,0,0]=3 4039 B12R0.5 C=CCCCCCCCNCC=C 2230a_100020586998_100012355270 [0,1,0,0,0,0|1,0,2]=4 4040 B12R0.5 C=CCCCCCCCNCCF 34a_100000724931_100012355270 [0,1,0,0,0,0|2,0,0]=3 4041 B12R0.5 C=CCCCCCCCNCCO 2230a_100016997473_100012355270 [0,1,0,0,0,0|2,0,0]=3 4042 B12R0.5 C=CCCCCCCCNCCO 34a_100016990907_100012355270 [0,1,0,0,0,0|2,0,0]=3 4043 B12R0.5 C=CCCCCCCCOCC#N 7a_100000730831_100011215382 [0,1,0,0,0,0|2,0,1]=4 4044 B12R0.5 C=CCCCCCCCOCC=C 34a_100000730831_100015514636 [0,1,0,0,0,0|1,0,2]=4 4045 B12R0.5 C=CCCCCCCCOCC=C 34a_200000210373_100012355270 [0,1,0,0,0,0|1,0,2]=4 4046 B12R0.5 C=CCCCCCCCOCC=C 7a_100000730831_100015514636 [0,1,0,0,0,0|1,0,2]=4 4047 B12R0.5 C=CCCCCCCCOCC=O 34a_100000730831_200009817547 [0,1,0,0,0,0|0,0,2]=3 4048 B12R0.5 C=CCCCCCCCOCC=O 7a_100000730831_200015260668 [0,1,0,0,0,0|0,0,2]=3 4049 B12R0.5 C=CCCCCCCCOCCBr 34a_100000211926_100012355270 [0,1,0,0,0,0|2,0,0]=3 4050 B12R0.5 C=CCCCCCCCOCCC 34a_100000210258_100012355270 [0,1,0,0,0,0|1,0,0]=2 4051 B12R0.5 C=CCCCCCCCOCCC 34a_100000730831_100000210303 [0,1,0,0,0,0|1,0,0]=2 4052 B12R0.5 C=CCCCCCCCOCCC 7a_100000730831_100000210303 [0,1,0,0,0,0|1,0,0]=2 4053 B12R0.5 C=CCCCCCCCOCCF 34a_100000730831_100011217306 [0,1,0,0,0,0|2,0,0]=3 4054 B12R0.5 C=CCCCCCCCOCCF 7a_100000730831_100011217306 [0,1,0,0,0,0|2,0,0]=3 4055 B12R0.5 C=CCCCCCCCOCCN 34a_100000210304_100012355270 [0,1,0,0,0,0|2,0,0]=3 4056 B12R0.5 C=CCCCCCCCOCCO 34a_100000730831_100000211926 [0,1,0,0,0,0|2,0,0]=3 4057 B12R0.5 C=CCCCCCCCOCCO 7a_100000730831_100000211926 [0,1,0,0,0,0|2,0,0]=3 4058 B12R0.5 C=CCCCCCCCOCSC 34a_100000730831_100011218213 [0,1,0,0,0,0|2,0,0]=3 4059 B12R0.5 C=CCCCCCCCSCC#N 62a_100011215382_100012355270 [0,1,0,0,0,0|2,0,1]=4 4060 B12R0.5 C=CCCCCCCCSCC#N 62a_100012355270_100011215382 [0,1,0,0,0,0|2,0,1]=4 4061 B12R0.5 C=CCCCCCCCSCC=C 62a_100000210623_100012355270 [0,1,0,0,0,0|1,0,2]=4 4062 B12R0.5 C=CCCCCCCCSCC=C 62a_100012355270_100000210623 [0,1,0,0,0,0|1,0,2]=4 4063 B12R0.5 C=CCCCCCCCSCC=O 62a_100012355270_200015260668 [0,1,0,0,0,0|0,0,2]=3 4064 B12R0.5 C=CCCCCCCCSCC=O 62a_200015260668_100012355270 [0,1,0,0,0,0|0,0,2]=3 4065 B12R0.5 C=CCCCCCCCSCCC 62a_100000210303_100012355270 [0,1,0,0,0,0|1,0,0]=2 4066 B12R0.5 C=CCCCCCCCSCCC 62a_100012355270_100000210303 [0,1,0,0,0,0|1,0,0]=2 4067 B12R0.5 C=CCCCCCCCSCCF 62a_100011217306_100012355270 [0,1,0,0,0,0|2,0,0]=3 4068 B12R0.5 C=CCCCCCCCSCCF 62a_100012355270_100011217306 [0,1,0,0,0,0|2,0,0]=3 4069 B12R0.5 C=CCCCCCCCSCCO 62a_100000211926_100012355270 [0,1,0,0,0,0|2,0,0]=3 4070 B12R0.5 C=CCCCCCCCSCCO 62a_100012355270_100000211926 [0,1,0,0,0,0|2,0,0]=3 4071 B12R0.5 C=CCCCCCCCSCOC 62a_100000766300_100012355270 [0,1,0,0,0,0|2,0,0]=3 4072 B12R0.5 C=CCCCCCCCSCOC 62a_100012355270_100000766300 [0,1,0,0,0,0|2,0,0]=3 4073 B12R0.5 C=CCCCCCCCSCSC 62a_100011218213_100012355270 [0,1,0,0,0,0|2,0,0]=3 4074 B12R0.5 C=CCCCCCCCSCSC 62a_100012355270_100011218213 [0,1,0,0,0,0|2,0,0]=3 4075 B12R0.5 C=CCCCCCCNCC#CC 2230a_100000685387_100011215473 [0,1,0,0,0,0|1,0,2]=4 4076 B12R0.5 C=CCCCCCCNCC#CC 34a_100000685387_100011215473 [0,1,0,0,0,0|1,0,2]=4 4077 B12R0.5 C=CCCCCCCNCCC=C 2230a_100015191253_100011215473 [0,1,0,0,0,0|1,0,2]=4 4078 B12R0.5 C=CCCCCCCNCCCC 2230a_100000102301_100011215473 [0,1,0,0,0,0|1,0,0]=2 4079 B12R0.5 C=CCCCCCCNCCCC 7a_106832991798_100011215473 [0,1,0,0,0,0|1,0,0]=2 4080 B12R0.5 C=CCCCCCCNCCCF 2230a_100015189416_100011215473 [0,1,0,0,0,0|2,0,0]=3 4081 B12R0.5 C=CCCCCCCNCCCF 34a_100015189416_100011215473 [0,1,0,0,0,0|2,0,0]=3 4082 B12R0.5 C=CCCCCCCNCCOC 2230a_100000209980_100011215473 [0,1,0,0,0,0|2,0,0]=3 4083 B12R0.5 C=CCCCCCCNCCSC 2230a_100020590264_100011215473 [0,1,0,0,0,0|2,0,0]=3 4084 B12R0.5 C=CCCCCCCOC/C=C/C 34a_100016270725_100011215473 [0,1,0,0,0,0|1,0,2]=4 4085 B12R0.5 C=CCCCCCCOC/C=C/C 34a_200011216477_100102629194 [0,1,0,0,0,0|1,0,2]=4 4086 B12R0.5 C=CCCCCCCOC/C=C/C 7a_200011216477_100102629194 [0,1,0,0,0,0|1,0,2]=4 4087 B12R0.5 C=CCCCCCCOCC#CC 34a_100000761923_100011215473 [0,1,0,0,0,0|1,0,2]=4 4088 B12R0.5 C=CCCCCCCOCC#CC 34a_200011216477_100000748600 [0,1,0,0,0,0|1,0,2]=4 4089 B12R0.5 C=CCCCCCCOCC#CC 7a_200011216477_100000748600 [0,1,0,0,0,0|1,0,2]=4 4090 B12R0.5 C=CCCCCCCOCC=CC 34a_200011216477_100000070051 [0,1,0,0,0,0|1,0,2]=4 4091 B12R0.5 C=CCCCCCCOCC=CC 7a_200011216477_100000070051 [0,1,0,0,0,0|1,0,2]=4 4092 B12R0.5 C=CCCCCCCOCCC#N 7a_200011216477_100000184422 [0,1,0,0,0,0|2,0,1]=4 4093 B12R0.5 C=CCCCCCCOCCC=C 34a_100011205117_100011215473 [0,1,0,0,0,0|1,0,2]=4 4094 B12R0.5 C=CCCCCCCOCCC=C 34a_200011216477_100000754431 [0,1,0,0,0,0|1,0,2]=4 4095 B12R0.5 C=CCCCCCCOCCC=C 7a_200011216477_100000754431 [0,1,0,0,0,0|1,0,2]=4 4096 B12R0.5 C=CCCCCCCOCCCBr 34a_100011217188_100011215473 [0,1,0,0,0,0|2,0,0]=3 4097 B12R0.5 C=CCCCCCCOCCCC 34a_100000210227_100011215473 [0,1,0,0,0,0|1,0,0]=2 4098 B12R0.5 C=CCCCCCCOCCCC 34a_200011216477_100000210210 [0,1,0,0,0,0|1,0,0]=2 4099 B12R0.5 C=CCCCCCCOCCCC 7a_100000210227_100011215473 [0,1,0,0,0,0|1,0,0]=2 4100 B12R0.5 C=CCCCCCCOCCCC 7a_200011216477_100000210211 [0,1,0,0,0,0|1,0,0]=2 4101 B12R0.5 C=CCCCCCCOCCCCl 34a_100000230001_100011215473 [0,1,0,0,0,0|2,0,0]=3 4102 B12R0.5 C=CCCCCCCOCCCF 34a_100000759539_100011215473 [0,1,0,0,0,0|2,0,0]=3 4103 B12R0.5 C=CCCCCCCOCCCF 34a_200011216477_100011934791 [0,1,0,0,0,0|2,0,0]=3 4104 B12R0.5 C=CCCCCCCOCCCF 7a_200011216477_100011934791 [0,1,0,0,0,0|2,0,0]=3 4105 B12R0.5 C=CCCCCCCOCCCN 34a_100000182051_100011215473 [0,1,0,0,0,0|2,0,0]=3 4106 B12R0.5 C=CCCCCCCOCCCO 34a_200011216477_100000230001 [0,1,0,0,0,0|2,0,0]=3 4107 B12R0.5 C=CCCCCCCOCCCO 7a_200011216477_100011215043 [0,1,0,0,0,0|2,0,0]=3 4108 B12R0.5 C=CCCCCCCOCCOC 34a_100000210237_100011215473 [0,1,0,0,0,0|2,0,0]=3 4109 B12R0.5 C=CCCCCCCOCCOC 34a_200011216477_100011201679 [0,1,0,0,0,0|2,0,0]=3 4110 B12R0.5 C=CCCCCCCOCCOC 7a_200011216477_100000233755 [0,1,0,0,0,0|2,0,0]=3 4111 B12R0.5 C=CCCCCCCOCCON 34a_100000700252_100011215473 [0,1,0,0,0,0|3,0,0]=4 4112 B12R0.5 C=CCCCCCCOCCSC 34a_100000230434_100011215473 [0,1,0,0,0,0|2,0,0]=3 4113 B12R0.5 C=CCCCCCCOCCSC 34a_200011216477_100000212216 [0,1,0,0,0,0|2,0,0]=3 4114 B12R0.5 C=CCCCCCCOCCSC 7a_100000230434_100011215473 [0,1,0,0,0,0|2,0,0]=3 4115 B12R0.5 C=CCCCCCCOCCSC 7a_200011216477_100000212216 [0,1,0,0,0,0|2,0,0]=3 4116 B12R0.5 C=CCCCCCCSC/C=C/C 62a_100011215473_100102629194 [0,1,0,0,0,0|1,0,2]=4 4117 B12R0.5 C=CCCCCCCSC/C=C/C 62a_100102629194_100011215473 [0,1,0,0,0,0|1,0,2]=4 4118 B12R0.5 C=CCCCCCCSCC#CC 62a_100000748600_100011215473 [0,1,0,0,0,0|1,0,2]=4 4119 B12R0.5 C=CCCCCCCSCC#CC 62a_100011215473_100000748600 [0,1,0,0,0,0|1,0,2]=4 4120 B12R0.5 C=CCCCCCCSCC=CC 62a_100000070051_100011215473 [0,1,0,0,0,0|1,0,2]=4 4121 B12R0.5 C=CCCCCCCSCC=CC 62a_100011215473_100000070051 [0,1,0,0,0,0|1,0,2]=4 4122 B12R0.5 C=CCCCCCCSCCC#N 62a_100011215226_100011215473 [0,1,0,0,0,0|2,0,1]=4 4123 B12R0.5 C=CCCCCCCSCCC#N 62a_100011215473_100011215226 [0,1,0,0,0,0|2,0,1]=4 4124 B12R0.5 C=CCCCCCCSCCC=C 62a_100000754431_100011215473 [0,1,0,0,0,0|1,0,2]=4 4125 B12R0.5 C=CCCCCCCSCCC=C 62a_100011215473_100000754431 [0,1,0,0,0,0|1,0,2]=4 4126 B12R0.5 C=CCCCCCCSCCCC 62a_100000210211_100011215473 [0,1,0,0,0,0|1,0,0]=2 4127 B12R0.5 C=CCCCCCCSCCCC 62a_100011215473_100000210210 [0,1,0,0,0,0|1,0,0]=2 4128 B12R0.5 C=CCCCCCCSCCCF 62a_100011215473_100011934791 [0,1,0,0,0,0|2,0,0]=3 4129 B12R0.5 C=CCCCCCCSCCCF 62a_100011934791_100011215473 [0,1,0,0,0,0|2,0,0]=3 4130 B12R0.5 C=CCCCCCCSCCCO 62a_100011215043_100011215473 [0,1,0,0,0,0|2,0,0]=3 4131 B12R0.5 C=CCCCCCCSCCCO 62a_100011215473_100011215043 [0,1,0,0,0,0|2,0,0]=3 4132 B12R0.5 C=CCCCCCCSCCOC 62a_100000233755_100011215473 [0,1,0,0,0,0|2,0,0]=3 4133 B12R0.5 C=CCCCCCCSCCOC 62a_100011215473_100000233755 [0,1,0,0,0,0|2,0,0]=3 4134 B12R0.5 C=CCCCCCCSCCSC 62a_100000212216_100011215473 [0,1,0,0,0,0|2,0,0]=3 4135 B12R0.5 C=CCCCCCCSCCSC 62a_100011215473_100000751147 [0,1,0,0,0,0|2,0,0]=3 4136 B12R0.5 C=CCCCCCCSCOCC 62a_100000739092_100011215473 [0,1,0,0,0,0|2,0,0]=3 4137 B12R0.5 C=CCCCCCCSCOCC 62a_100011215473_100000739092 [0,1,0,0,0,0|2,0,0]=3 4138 B12R0.5 C=CCCCCCNCCCC=C 2230a_100000700776_100000700193 [0,1,0,0,0,0|1,0,2]=4 4139 B12R0.5 C=CCCCCCNCCCC=C 34a_100000700776_100000700193 [0,1,0,0,0,0|1,0,2]=4 4140 B12R0.5 C=CCCCCCNCCCCC 2230a_100000209983_100000700193 [0,1,0,0,0,0|1,0,0]=2 4141 B12R0.5 C=CCCCCCNCCCCO 2230a_100000750430_100000700193 [0,1,0,0,0,0|2,0,0]=3 4142 B12R0.5 C=CCCCCCNCCCCO 34a_100000750430_100000700193 [0,1,0,0,0,0|2,0,0]=3 4143 B12R0.5 C=CCCCCCNCCCOC 34a_100150723488_100000700193 [0,1,0,0,0,0|2,0,0]=3 4144 B12R0.5 C=CCCCCCNCCCSC 2230a_100000749238_100000700193 [0,1,0,0,0,0|2,0,0]=3 4145 B12R0.5 C=CCCCCCNCCOCC 2230a_102516460346_100000700193 [0,1,0,0,0,0|2,0,0]=3 4146 B12R0.5 C=CCCCCCNCCOCC 34a_102516460346_100000700193 [0,1,0,0,0,0|2,0,0]=3 4147 B12R0.5 C=CCCCCCNCCSCC 2230a_100000106463_100000700193 [0,1,0,0,0,0|2,0,0]=3 4148 B12R0.5 C=CCCCCCOC/C=C\CC 34a_100011216702_100103147603 [0,1,0,0,0,0|1,0,2]=4 4149 B12R0.5 C=CCCCCCOC/C=C\CC 34a_100016268518_100000700193 [0,1,0,0,0,0|1,0,2]=4 4150 B12R0.5 C=CCCCCCOC/C=C\CC 7a_100011216702_100103147603 [0,1,0,0,0,0|1,0,2]=4 4151 B12R0.5 C=CCCCCCOCC#CCC 34a_100000032950_100000700193 [0,1,0,0,0,0|1,0,2]=4 4152 B12R0.5 C=CCCCCCOCC#CCC 34a_100011216702_100009813939 [0,1,0,0,0,0|1,0,2]=4 4153 B12R0.5 C=CCCCCCOCC#CCC 7a_100011216702_100009813939 [0,1,0,0,0,0|1,0,2]=4 4154 B12R0.5 C=CCCCCCOCC/C=C/C 34a_100016278192_100000700193 [0,1,0,0,0,0|1,0,2]=4 4155 B12R0.5 C=CCCCCCOCCC#CC 34a_100000750427_100000700193 [0,1,0,0,0,0|1,0,2]=4 4156 B12R0.5 C=CCCCCCOCCCC#N 7a_100011216702_100000687738 [0,1,0,0,0,0|2,0,1]=4 4157 B12R0.5 C=CCCCCCOCCCC=C 34a_100000758997_100000700193 [0,1,0,0,0,0|1,0,2]=4 4158 B12R0.5 C=CCCCCCOCCCC=C 34a_100011216702_100000757094 [0,1,0,0,0,0|1,0,2]=4 4159 B12R0.5 C=CCCCCCOCCCC=C 7a_100000758997_100000700193 [0,1,0,0,0,0|1,0,2]=4 4160 B12R0.5 C=CCCCCCOCCCC=C 7a_100011216702_100000757094 [0,1,0,0,0,0|1,0,2]=4 4161 B12R0.5 C=CCCCCCOCCCC=O 7a_100011216702_200011292268 [0,1,0,0,0,0|0,0,2]=3 4162 B12R0.5 C=CCCCCCOCCCCBr 34a_100011216708_100000700193 [0,1,0,0,0,0|2,0,0]=3 4163 B12R0.5 C=CCCCCCOCCCCC 34a_100000210253_100000700193 [0,1,0,0,0,0|1,0,0]=2 4164 B12R0.5 C=CCCCCCOCCCCC 34a_100011216702_100000718602 [0,1,0,0,0,0|1,0,0]=2 4165 B12R0.5 C=CCCCCCOCCCCC 7a_100000210253_100000700193 [0,1,0,0,0,0|1,0,0]=2 4166 B12R0.5 C=CCCCCCOCCCCC 7a_100011216702_100000210326 [0,1,0,0,0,0|1,0,0]=2 4167 B12R0.5 C=CCCCCCOCCCCCl 34a_100000210776_100000700193 [0,1,0,0,0,0|2,0,0]=3 4168 B12R0.5 C=CCCCCCOCCCCCl 7a_100000210776_100000700193 [0,1,0,0,0,0|2,0,0]=3 4169 B12R0.5 C=CCCCCCOCCCCF 34a_100011216702_100000729493 [0,1,0,0,0,0|2,0,0]=3 4170 B12R0.5 C=CCCCCCOCCCCF 34a_100011995726_100000700193 [0,1,0,0,0,0|2,0,0]=3 4171 B12R0.5 C=CCCCCCOCCCCF 7a_100011216702_100000729493 [0,1,0,0,0,0|2,0,0]=3 4172 B12R0.5 C=CCCCCCOCCCCF 7a_100011995726_100000700193 [0,1,0,0,0,0|2,0,0]=3 4173 B12R0.5 C=CCCCCCOCCCCI 34a_200012148704_100000700193 [0,1,0,0,0,0|2,0,0]=3 4174 B12R0.5 C=CCCCCCOCCCCN 34a_100000750430_100000700193 [0,1,0,0,0,0|2,0,0]=3 4175 B12R0.5 C=CCCCCCOCCCCO 34a_100011216702_100011216708 [0,1,0,0,0,0|2,0,0]=3 4176 B12R0.5 C=CCCCCCOCCCCO 7a_100011216702_100000210776 [0,1,0,0,0,0|2,0,0]=3 4177 B12R0.5 C=CCCCCCOCCCNC 34a_100000213112_100000700193 [0,1,0,0,0,0|2,0,0]=3 4178 B12R0.5 C=CCCCCCOCCCOC 34a_100000740835_100000700193 [0,1,0,0,0,0|2,0,0]=3 4179 B12R0.5 C=CCCCCCOCCCOC 34a_100011216702_100000740836 [0,1,0,0,0,0|2,0,0]=3 4180 B12R0.5 C=CCCCCCOCCCOC 7a_100011216702_100000740836 [0,1,0,0,0,0|2,0,0]=3 4181 B12R0.5 C=CCCCCCOCCCSC 34a_100000690336_100000700193 [0,1,0,0,0,0|2,0,0]=3 4182 B12R0.5 C=CCCCCCOCCCSC 7a_100000690336_100000700193 [0,1,0,0,0,0|2,0,0]=3 4183 B12R0.5 C=CCCCCCOCCOCC 34a_100000210136_100000700193 [0,1,0,0,0,0|2,0,0]=3 4184 B12R0.5 C=CCCCCCOCCOCC 34a_100011216702_100000210147 [0,1,0,0,0,0|2,0,0]=3 4185 B12R0.5 C=CCCCCCOCCOCC 7a_100000210136_100000700193 [0,1,0,0,0,0|2,0,0]=3 4186 B12R0.5 C=CCCCCCOCCOCC 7a_100011216702_100011215890 [0,1,0,0,0,0|2,0,0]=3 4187 B12R0.5 C=CCCCCCOCCSCC 34a_100000212035_100000700193 [0,1,0,0,0,0|2,0,0]=3 4188 B12R0.5 C=CCCCCCOCCSCC 34a_100011216702_100000757381 [0,1,0,0,0,0|2,0,0]=3 4189 B12R0.5 C=CCCCCCOCCSCC 7a_100000212035_100000700193 [0,1,0,0,0,0|2,0,0]=3 4190 B12R0.5 C=CCCCCCOCCSCC 7a_100011216702_100000757381 [0,1,0,0,0,0|2,0,0]=3 4191 B12R0.5 C=CCCCCCSC/C=C\CC 62a_100000700193_100103147603 [0,1,0,0,0,0|1,0,2]=4 4192 B12R0.5 C=CCCCCCSC/C=C\CC 62a_100103147603_100000700193 [0,1,0,0,0,0|1,0,2]=4 4193 B12R0.5 C=CCCCCCSCC#CCC 62a_100000700193_100009813939 [0,1,0,0,0,0|1,0,2]=4 4194 B12R0.5 C=CCCCCCSCC#CCC 62a_100009813939_100000700193 [0,1,0,0,0,0|1,0,2]=4 4195 B12R0.5 C=CCCCCCSCCCC#N 62a_100000687738_100000700193 [0,1,0,0,0,0|2,0,1]=4 4196 B12R0.5 C=CCCCCCSCCCC#N 62a_100000700193_100000687738 [0,1,0,0,0,0|2,0,1]=4 4197 B12R0.5 C=CCCCCCSCCCC=C 62a_100000700193_100000757094 [0,1,0,0,0,0|1,0,2]=4 4198 B12R0.5 C=CCCCCCSCCCC=C 62a_100011713584_100000700193 [0,1,0,0,0,0|1,0,2]=4 4199 B12R0.5 C=CCCCCCSCCCC=O 62a_100000700193_200011292268 [0,1,0,0,0,0|0,0,2]=3 4200 B12R0.5 C=CCCCCCSCCCC=O 62a_200011292268_100000700193 [0,1,0,0,0,0|0,0,2]=3 4201 B12R0.5 C=CCCCCCSCCCCC 62a_100000210326_100000700193 [0,1,0,0,0,0|1,0,0]=2 4202 B12R0.5 C=CCCCCCSCCCCC 62a_100000700193_100000210326 [0,1,0,0,0,0|1,0,0]=2 4203 B12R0.5 C=CCCCCCSCCCCF 62a_100000700193_100000729493 [0,1,0,0,0,0|2,0,0]=3 4204 B12R0.5 C=CCCCCCSCCCCF 62a_100000729493_100000700193 [0,1,0,0,0,0|2,0,0]=3 4205 B12R0.5 C=CCCCCCSCCCCO 62a_100000210776_100000700193 [0,1,0,0,0,0|2,0,0]=3 4206 B12R0.5 C=CCCCCCSCCCCO 62a_100000700193_100000210776 [0,1,0,0,0,0|2,0,0]=3 4207 B12R0.5 C=CCCCCCSCCCOC 62a_100000700193_100000709357 [0,1,0,0,0,0|2,0,0]=3 4208 B12R0.5 C=CCCCCCSCCCOC 62a_100000709357_100000700193 [0,1,0,0,0,0|2,0,0]=3 4209 B12R0.5 C=CCCCCCSCCOCC 62a_100000210147_100000700193 [0,1,0,0,0,0|2,0,0]=3 4210 B12R0.5 C=CCCCCCSCCOCC 62a_100000700193_100011215890 [0,1,0,0,0,0|2,0,0]=3 4211 B12R0.5 C=CCCCCCSCCSCC 62a_100000700193_100000757381 [0,1,0,0,0,0|2,0,0]=3 4212 B12R0.5 C=CCCCCCSCCSCC 62a_100000757381_100000700193 [0,1,0,0,0,0|2,0,0]=3 4213 B12R0.5 C=CCCCCNCC/C=C\CC 2230a_100000703577_100015370543 [0,1,0,0,0,0|1,0,2]=4 4214 B12R0.5 C=CCCCCNCC/C=C\CC 34a_100000703577_100015370543 [0,1,0,0,0,0|1,0,2]=4 4215 B12R0.5 C=CCCCCNCCCCC#N 2230a_100000703577_100000211819 [0,1,0,0,0,0|2,0,1]=4 4216 B12R0.5 C=CCCCCNCCCCC=C 2230a_100000703577_100011215482 [0,1,0,0,0,0|1,0,2]=4 4217 B12R0.5 C=CCCCCNCCCCC=C 34a_100000703577_100011215482 [0,1,0,0,0,0|1,0,2]=4 4218 B12R0.5 C=CCCCCNCCCCC=O 2230a_100000703577_100000139335 [0,1,0,0,0,0|0,0,2]=3 4219 B12R0.5 C=CCCCCNCCCCCC 2230a_100000210581_100011215482 [0,1,0,0,0,0|1,0,0]=2 4220 B12R0.5 C=CCCCCNCCCCCC 2230a_100000703577_100000210314 [0,1,0,0,0,0|1,0,0]=2 4221 B12R0.5 C=CCCCCNCCCCCC 34a_100000703577_100000210314 [0,1,0,0,0,0|1,0,0]=2 4222 B12R0.5 C=CCCCCNCCCCCF 2230a_100000703577_100000729378 [0,1,0,0,0,0|2,0,0]=3 4223 B12R0.5 C=CCCCCNCCCCCF 34a_100000703577_100000729378 [0,1,0,0,0,0|2,0,0]=3 4224 B12R0.5 C=CCCCCNCCCCCO 2230a_100000703577_100000746330 [0,1,0,0,0,0|2,0,0]=3 4225 B12R0.5 C=CCCCCNCCCCCO 2230a_100000762737_100011215482 [0,1,0,0,0,0|2,0,0]=3 4226 B12R0.5 C=CCCCCNCCCCCO 34a_100000703577_100000746330 [0,1,0,0,0,0|2,0,0]=3 4227 B12R0.5 C=CCCCCNCCCCCO 34a_100000762737_100011215482 [0,1,0,0,0,0|2,0,0]=3 4228 B12R0.5 C=CCCCCNCCCCOC 2230a_100000703577_100000730899 [0,1,0,0,0,0|2,0,0]=3 4229 B12R0.5 C=CCCCCNCCCCOC 34a_100000703577_100000755781 [0,1,0,0,0,0|2,0,0]=3 4230 B12R0.5 C=CCCCCNCCCOCC 2230a_100000210961_100011215482 [0,1,0,0,0,0|2,0,0]=3 4231 B12R0.5 C=CCCCCNCCCOCC 2230a_100000703577_100012232248 [0,1,0,0,0,0|2,0,0]=3 4232 B12R0.5 C=CCCCCNCCCOCC 34a_100000210961_100011215482 [0,1,0,0,0,0|2,0,0]=3 4233 B12R0.5 C=CCCCCNCCCOCC 34a_100000703577_100012232248 [0,1,0,0,0,0|2,0,0]=3 4234 B12R0.5 C=CCCCCNCCOCCC 2230a_100000703577_100011215938 [0,1,0,0,0,0|2,0,0]=3 4235 B12R0.5 C=CCCCCNCCOCCC 2230a_100161115042_100011215482 [0,1,0,0,0,0|2,0,0]=3 4236 B12R0.5 C=CCCCCNCCOCCC 34a_100000703577_100011215938 [0,1,0,0,0,0|2,0,0]=3 4237 B12R0.5 C=CCCCCNCCOCCC 34a_100161115042_100011215482 [0,1,0,0,0,0|2,0,0]=3 4238 B12R0.5 C=CCCCCNCCOCCO 2230a_100000211614_100011215482 [0,1,0,0,0,0|3,0,0]=4 4239 B12R0.5 C=CCCCCNCCOCCO 2230a_100000703577_100011215305 [0,1,0,0,0,0|3,0,0]=4 4240 B12R0.5 C=CCCCCNCCOCCO 34a_100000211614_100011215482 [0,1,0,0,0,0|3,0,0]=4 4241 B12R0.5 C=CCCCCNCCOCCO 34a_100000703577_100000692535 [0,1,0,0,0,0|3,0,0]=4 4242 B12R0.5 C=CCCCCNCCSCCC 2230a_100020603323_100011215482 [0,1,0,0,0,0|2,0,0]=3 4243 B12R0.5 C=CCCCCNCCSCCO 2230a_100011219999_100011215482 [0,1,0,0,0,0|3,0,0]=4 4244 B12R0.5 C=CCCCCNCOCCCC 2230a_100000703577_100011995733 [0,1,0,0,0,0|2,0,0]=3 4245 B12R0.5 C=CCCCCNCOCCCC 34a_100000703577_100011995733 [0,1,0,0,0,0|2,0,0]=3 4246 B12R0.5 C=CCCCCNCOCCOC 2230a_100000703577_100000231047 [0,1,0,0,0,0|3,0,0]=4 4247 B12R0.5 C=CCCCCOC/C=C/CCC 34a_100016278788_100011215482 [0,1,0,0,0,0|1,0,2]=4 4248 B12R0.5 C=CCCCCOC/C=C/CCC 7a_100016278788_100011215482 [0,1,0,0,0,0|1,0,2]=4 4249 B12R0.5 C=CCCCCOCC#CCCC 34a_100000034806_100011215482 [0,1,0,0,0,0|1,0,2]=4 4250 B12R0.5 C=CCCCCOCC#CCCC 7a_100000034806_100011215482 [0,1,0,0,0,0|1,0,2]=4 4251 B12R0.5 C=CCCCCOCC/C=C\CC 34a_100000766645_100015370543 [0,1,0,0,0,0|1,0,2]=4 4252 B12R0.5 C=CCCCCOCC/C=C\CC 34a_100016288707_100011215482 [0,1,0,0,0,0|1,0,2]=4 4253 B12R0.5 C=CCCCCOCC/C=C\CC 7a_100000766645_100015370543 [0,1,0,0,0,0|1,0,2]=4 4254 B12R0.5 C=CCCCCOCC/C=C\CC 7a_100016288707_100011215482 [0,1,0,0,0,0|1,0,2]=4 4255 B12R0.5 C=CCCCCOCCC#CCC 34a_100000036655_100011215482 [0,1,0,0,0,0|1,0,2]=4 4256 B12R0.5 C=CCCCCOCCC#CCC 7a_100000036655_100011215482 [0,1,0,0,0,0|1,0,2]=4 4257 B12R0.5 C=CCCCCOCCCC=CC 34a_100020645299_100011215482 [0,1,0,0,0,0|1,0,2]=4 4258 B12R0.5 C=CCCCCOCCCCC#N 7a_100000766645_100000211819 [0,1,0,0,0,0|2,0,1]=4 4259 B12R0.5 C=CCCCCOCCCCC=C 34a_100000766645_100011215482 [0,1,0,0,0,0|1,0,2]=4 4260 B12R0.5 C=CCCCCOCCCCC=C 7a_100000766645_100011215482 [0,1,0,0,0,0|1,0,2]=4 4261 B12R0.5 C=CCCCCOCCCCC=O 7a_100000766645_100000139335 [0,1,0,0,0,0|0,0,2]=3 4262 B12R0.5 C=CCCCCOCCCCCBr 34a_100000746331_100011215482 [0,1,0,0,0,0|2,0,0]=3 4263 B12R0.5 C=CCCCCOCCCCCBr 7a_100000746331_100011215482 [0,1,0,0,0,0|2,0,0]=3 4264 B12R0.5 C=CCCCCOCCCCCC 34a_100000210259_100011215482 [0,1,0,0,0,0|1,0,0]=2 4265 B12R0.5 C=CCCCCOCCCCCC 34a_100000766645_100000210314 [0,1,0,0,0,0|1,0,0]=2 4266 B12R0.5 C=CCCCCOCCCCCC 7a_100000210259_100011215482 [0,1,0,0,0,0|1,0,0]=2 4267 B12R0.5 C=CCCCCOCCCCCC 7a_100000766645_100000210314 [0,1,0,0,0,0|1,0,0]=2 4268 B12R0.5 C=CCCCCOCCCCCCl 34a_100000746330_100011215482 [0,1,0,0,0,0|2,0,0]=3 4269 B12R0.5 C=CCCCCOCCCCCCl 7a_100000746330_100011215482 [0,1,0,0,0,0|2,0,0]=3 4270 B12R0.5 C=CCCCCOCCCCCF 34a_100000766645_100000729378 [0,1,0,0,0,0|2,0,0]=3 4271 B12R0.5 C=CCCCCOCCCCCF 7a_100000766645_100000729378 [0,1,0,0,0,0|2,0,0]=3 4272 B12R0.5 C=CCCCCOCCCCCI 34a_200012148887_100011215482 [0,1,0,0,0,0|2,0,0]=3 4273 B12R0.5 C=CCCCCOCCCCCI 7a_200012148887_100011215482 [0,1,0,0,0,0|2,0,0]=3 4274 B12R0.5 C=CCCCCOCCCCCN 34a_100000762737_100011215482 [0,1,0,0,0,0|2,0,0]=3 4275 B12R0.5 C=CCCCCOCCCCCO 34a_100000766645_100000746330 [0,1,0,0,0,0|2,0,0]=3 4276 B12R0.5 C=CCCCCOCCCCCO 7a_100000766645_100000746330 [0,1,0,0,0,0|2,0,0]=3 4277 B12R0.5 C=CCCCCOCCCCOC 34a_100000740925_100011215482 [0,1,0,0,0,0|2,0,0]=3 4278 B12R0.5 C=CCCCCOCCCCOC 34a_100000766645_100000755781 [0,1,0,0,0,0|2,0,0]=3 4279 B12R0.5 C=CCCCCOCCCCOC 7a_100000766645_100000730899 [0,1,0,0,0,0|2,0,0]=3 4280 B12R0.5 C=CCCCCOCCCCSC 34a_100011217163_100011215482 [0,1,0,0,0,0|2,0,0]=3 4281 B12R0.5 C=CCCCCOCCCCSC 7a_100011217163_100011215482 [0,1,0,0,0,0|2,0,0]=3 4282 B12R0.5 C=CCCCCOCCCOCC 34a_100000757476_100011215482 [0,1,0,0,0,0|2,0,0]=3 4283 B12R0.5 C=CCCCCOCCCOCC 34a_100000766645_100012232248 [0,1,0,0,0,0|2,0,0]=3 4284 B12R0.5 C=CCCCCOCCCOCC 7a_100000757476_100011215482 [0,1,0,0,0,0|2,0,0]=3 4285 B12R0.5 C=CCCCCOCCCOCC 7a_100000766645_100012232248 [0,1,0,0,0,0|2,0,0]=3 4286 B12R0.5 C=CCCCCOCCCSCC 34a_100011216438_100011215482 [0,1,0,0,0,0|2,0,0]=3 4287 B12R0.5 C=CCCCCOCCCSCC 7a_100011216438_100011215482 [0,1,0,0,0,0|2,0,0]=3 4288 B12R0.5 C=CCCCCOCCOCCBr 34a_100000692535_100011215482 [0,1,0,0,0,0|3,0,0]=4 4289 B12R0.5 C=CCCCCOCCOCCBr 7a_100000692535_100011215482 [0,1,0,0,0,0|3,0,0]=4 4290 B12R0.5 C=CCCCCOCCOCCC 34a_100000752267_100011215482 [0,1,0,0,0,0|2,0,0]=3 4291 B12R0.5 C=CCCCCOCCOCCC 34a_100000766645_100011215938 [0,1,0,0,0,0|2,0,0]=3 4292 B12R0.5 C=CCCCCOCCOCCC 7a_100000752267_100011215482 [0,1,0,0,0,0|2,0,0]=3 4293 B12R0.5 C=CCCCCOCCOCCC 7a_100000766645_100011215938 [0,1,0,0,0,0|2,0,0]=3 4294 B12R0.5 C=CCCCCOCCOCCCl 34a_100011215305_100011215482 [0,1,0,0,0,0|3,0,0]=4 4295 B12R0.5 C=CCCCCOCCOCCCl 7a_100011215305_100011215482 [0,1,0,0,0,0|3,0,0]=4 4296 B12R0.5 C=CCCCCOCCOCCF 34a_200015357709_100011215482 [0,1,0,0,0,0|3,0,0]=4 4297 B12R0.5 C=CCCCCOCCOCCF 7a_200015357709_100011215482 [0,1,0,0,0,0|3,0,0]=4 4298 B12R0.5 C=CCCCCOCCOCCI 34a_100012149058_100011215482 [0,1,0,0,0,0|3,0,0]=4 4299 B12R0.5 C=CCCCCOCCOCCI 7a_100012149058_100011215482 [0,1,0,0,0,0|3,0,0]=4 4300 B12R0.5 C=CCCCCOCCOCCN 34a_100000211614_100011215482 [0,1,0,0,0,0|3,0,0]=4 4301 B12R0.5 C=CCCCCOCCOCCO 34a_100000766645_100000692535 [0,1,0,0,0,0|3,0,0]=4 4302 B12R0.5 C=CCCCCOCCOCCO 7a_100000766645_100011215305 [0,1,0,0,0,0|3,0,0]=4 4303 B12R0.5 C=CCCCCOCCSCCC 34a_200000230433_100011215482 [0,1,0,0,0,0|2,0,0]=3 4304 B12R0.5 C=CCCCCOCCSCCC 7a_200000230433_100011215482 [0,1,0,0,0,0|2,0,0]=3 4305 B12R0.5 C=CCCCCOCOCCCC 34a_100000766645_100011995733 [0,1,0,0,0,0|2,0,0]=3 4306 B12R0.5 C=CCCCCSCC/C=C\CC 62a_100011215482_100015370543 [0,1,0,0,0,0|1,0,2]=4 4307 B12R0.5 C=CCCCCSCC/C=C\CC 62a_100015370543_100011215482 [0,1,0,0,0,0|1,0,2]=4 4308 B12R0.5 C=CCCCCSCCCCC#N 62a_100011215482_100000211819 [0,1,0,0,0,0|2,0,1]=4 4309 B12R0.5 C=CCCCCSCCCCC#N 62a_100011219923_100011215482 [0,1,0,0,0,0|2,0,1]=4 4310 B12R0.5 C=CCCCCSCCCCC=C 62a_100011215482_100011215482 [0,1,0,0,0,0|1,0,2]=4 4311 B12R0.5 C=CCCCCSCCCCC=O 62a_100000139335_100011215482 [0,1,0,0,0,0|0,0,2]=3 4312 B12R0.5 C=CCCCCSCCCCC=O 62a_100011215482_100000139335 [0,1,0,0,0,0|0,0,2]=3 4313 B12R0.5 C=CCCCCSCCCCCC 62a_100000210314_100011215482 [0,1,0,0,0,0|1,0,0]=2 4314 B12R0.5 C=CCCCCSCCCCCC 62a_100011215482_100000210757 [0,1,0,0,0,0|1,0,0]=2 4315 B12R0.5 C=CCCCCSCCCCCF 62a_100000729378_100011215482 [0,1,0,0,0,0|2,0,0]=3 4316 B12R0.5 C=CCCCCSCCCCCF 62a_100011215482_100000729378 [0,1,0,0,0,0|2,0,0]=3 4317 B12R0.5 C=CCCCCSCCCCCO 62a_100000746330_100011215482 [0,1,0,0,0,0|2,0,0]=3 4318 B12R0.5 C=CCCCCSCCCCCO 62a_100011215482_100000746330 [0,1,0,0,0,0|2,0,0]=3 4319 B12R0.5 C=CCCCCSCCCCOC 62a_100000730899_100011215482 [0,1,0,0,0,0|2,0,0]=3 4320 B12R0.5 C=CCCCCSCCCCOC 62a_100011215482_100000730899 [0,1,0,0,0,0|2,0,0]=3 4321 B12R0.5 C=CCCCCSCCCOCC 62a_100011215482_100012232248 [0,1,0,0,0,0|2,0,0]=3 4322 B12R0.5 C=CCCCCSCCCOCC 62a_100012232248_100011215482 [0,1,0,0,0,0|2,0,0]=3 4323 B12R0.5 C=CCCCCSCCOCCC 62a_100011215482_100011215938 [0,1,0,0,0,0|2,0,0]=3 4324 B12R0.5 C=CCCCCSCCOCCC 62a_100011215938_100011215482 [0,1,0,0,0,0|2,0,0]=3 4325 B12R0.5 C=CCCCCSCCOCCO 62a_100011215305_100011215482 [0,1,0,0,0,0|3,0,0]=4 4326 B12R0.5 C=CCCCCSCCOCCO 62a_100011215482_100011215305 [0,1,0,0,0,0|3,0,0]=4 4327 B12R0.5 C=CCCCCSCOCCCC 62a_100011215482_100011995733 [0,1,0,0,0,0|2,0,0]=3 4328 B12R0.5 C=CCCCCSCOCCCC 62a_100011995733_100011215482 [0,1,0,0,0,0|2,0,0]=3 4329 B12R0.5 C=CCCCCSCOCCOC 62a_100000231047_100011215482 [0,1,0,0,0,0|3,0,0]=4 4330 B12R0.5 C=CCCCCSCOCCOC 62a_100011215482_100000231047 [0,1,0,0,0,0|3,0,0]=4 4331 B12R0.5 C=CCCCNCCCCCC#N 2230a_100000700776_100009813376 [0,1,0,0,0,0|2,0,1]=4 4332 B12R0.5 C=CCCCNCCCCCC=O 2230a_100000700776_100000139337 [0,1,0,0,0,0|0,0,2]=3 4333 B12R0.5 C=CCCCNCCCCCCC 2230a_100000229938_100011713584 [0,1,0,0,0,0|1,0,0]=2 4334 B12R0.5 C=CCCCNCCCCCCC 2230a_100000700776_100000210681 [0,1,0,0,0,0|1,0,0]=2 4335 B12R0.5 C=CCCCNCCCCCCC 34a_100000700776_100000210614 [0,1,0,0,0,0|1,0,0]=2 4336 B12R0.5 C=CCCCNCCCCCCF 2230a_100000700776_100015922095 [0,1,0,0,0,0|2,0,0]=3 4337 B12R0.5 C=CCCCNCCCCCCF 34a_100000700776_100015922095 [0,1,0,0,0,0|2,0,0]=3 4338 B12R0.5 C=CCCCNCCCCCCO 2230a_100000686447_100011713584 [0,1,0,0,0,0|2,0,0]=3 4339 B12R0.5 C=CCCCNCCCCCCO 2230a_100000700776_100000766143 [0,1,0,0,0,0|2,0,0]=3 4340 B12R0.5 C=CCCCNCCCCCCO 34a_100000686447_100000757094 [0,1,0,0,0,0|2,0,0]=3 4341 B12R0.5 C=CCCCNCCCCCCO 34a_100000700776_100000766143 [0,1,0,0,0,0|2,0,0]=3 4342 B12R0.5 C=CCCCNCCCCCOC 2230a_100000747528_100011713584 [0,1,0,0,0,0|2,0,0]=3 4343 B12R0.5 C=CCCCNCCCCCOC 34a_100000747528_100000757094 [0,1,0,0,0,0|2,0,0]=3 4344 B12R0.5 C=CCCCNCCCOCCC 2230a_100011217757_100011713584 [0,1,0,0,0,0|2,0,0]=3 4345 B12R0.5 C=CCCCNCCCOCCC 34a_100011217757_100000757094 [0,1,0,0,0,0|2,0,0]=3 4346 B12R0.5 C=CCCCNCCOCCCC 2230a_100000700776_100000743108 [0,1,0,0,0,0|2,0,0]=3 4347 B12R0.5 C=CCCCNCCOCCCC 34a_100000700776_100000743108 [0,1,0,0,0,0|2,0,0]=3 4348 B12R0.5 C=CCCCNCCOCCOC 2230a_100000700776_100000695917 [0,1,0,0,0,0|3,0,0]=4 4349 B12R0.5 C=CCCCNCCOCCOC 2230a_100000745349_100011713584 [0,1,0,0,0,0|3,0,0]=4 4350 B12R0.5 C=CCCCNCCOCCOC 34a_100000700776_100000695917 [0,1,0,0,0,0|3,0,0]=4 4351 B12R0.5 C=CCCCNCCOCCOC 34a_100000745349_100000757094 [0,1,0,0,0,0|3,0,0]=4 4352 B12R0.5 C=CCCCNCCSCCCC 2230a_100025743550_100011713584 [0,1,0,0,0,0|2,0,0]=3 4353 B12R0.5 C=CCCCOC/C=C/CCCC 34a_200016272032_100000757094 [0,1,0,0,0,0|1,0,2]=4 4354 B12R0.5 C=CCCCOC/C=C/CCCC 7a_200016272032_100000757094 [0,1,0,0,0,0|1,0,2]=4 4355 B12R0.5 C=CCCCOCC#CCCCC 34a_200000034558_100000757094 [0,1,0,0,0,0|1,0,2]=4 4356 B12R0.5 C=CCCCOCC#CCCCC 7a_200000034558_100000757094 [0,1,0,0,0,0|1,0,2]=4 4357 B12R0.5 C=CCCCOCCC#CCCC 34a_100000042726_100000757094 [0,1,0,0,0,0|1,0,2]=4 4358 B12R0.5 C=CCCCOCCC#CCCC 7a_100000042726_100000757094 [0,1,0,0,0,0|1,0,2]=4 4359 B12R0.5 C=CCCCOCCC/C=C/CC 34a_100016287902_100000757094 [0,1,0,0,0,0|1,0,2]=4 4360 B12R0.5 C=CCCCOCCC/C=C/CC 7a_100016287902_100000757094 [0,1,0,0,0,0|1,0,2]=4 4361 B12R0.5 C=CCCCOCCCCCC#N 7a_100000758997_100009813376 [0,1,0,0,0,0|2,0,1]=4 4362 B12R0.5 C=CCCCOCCCCCC=O 7a_100000758997_100000139337 [0,1,0,0,0,0|0,0,2]=3 4363 B12R0.5 C=CCCCOCCCCCCBr 34a_100011215345_100000757094 [0,1,0,0,0,0|2,0,0]=3 4364 B12R0.5 C=CCCCOCCCCCCBr 7a_100011215345_100000757094 [0,1,0,0,0,0|2,0,0]=3 4365 B12R0.5 C=CCCCOCCCCCCC 34a_100000210272_100000757094 [0,1,0,0,0,0|1,0,0]=2 4366 B12R0.5 C=CCCCOCCCCCCC 34a_100000758997_100000210614 [0,1,0,0,0,0|1,0,0]=2 4367 B12R0.5 C=CCCCOCCCCCCC 7a_100000210272_100000757094 [0,1,0,0,0,0|1,0,0]=2 4368 B12R0.5 C=CCCCOCCCCCCC 7a_100000758997_100000210614 [0,1,0,0,0,0|1,0,0]=2 4369 B12R0.5 C=CCCCOCCCCCCCl 34a_100000766143_100000757094 [0,1,0,0,0,0|2,0,0]=3 4370 B12R0.5 C=CCCCOCCCCCCCl 7a_100000766143_100000757094 [0,1,0,0,0,0|2,0,0]=3 4371 B12R0.5 C=CCCCOCCCCCCF 34a_100000732779_100000757094 [0,1,0,0,0,0|2,0,0]=3 4372 B12R0.5 C=CCCCOCCCCCCF 34a_100000758997_100015922095 [0,1,0,0,0,0|2,0,0]=3 4373 B12R0.5 C=CCCCOCCCCCCF 7a_100000732779_100000757094 [0,1,0,0,0,0|2,0,0]=3 4374 B12R0.5 C=CCCCOCCCCCCF 7a_100000758997_100015922095 [0,1,0,0,0,0|2,0,0]=3 4375 B12R0.5 C=CCCCOCCCCCCN 34a_100000686447_100000757094 [0,1,0,0,0,0|2,0,0]=3 4376 B12R0.5 C=CCCCOCCCCCCO 34a_100000758997_100000766143 [0,1,0,0,0,0|2,0,0]=3 4377 B12R0.5 C=CCCCOCCCCCCO 7a_100000758997_100000766143 [0,1,0,0,0,0|2,0,0]=3 4378 B12R0.5 C=CCCCOCCCCCNC 34a_100000722520_100000757094 [0,1,0,0,0,0|2,0,0]=3 4379 B12R0.5 C=CCCCOCCOCCCC 34a_100000210238_100000757094 [0,1,0,0,0,0|2,0,0]=3 4380 B12R0.5 C=CCCCOCCOCCCC 34a_100000758997_100000743108 [0,1,0,0,0,0|2,0,0]=3 4381 B12R0.5 C=CCCCOCCOCCCC 7a_100000210238_100000757094 [0,1,0,0,0,0|2,0,0]=3 4382 B12R0.5 C=CCCCOCCOCCCC 7a_100000758997_100000743108 [0,1,0,0,0,0|2,0,0]=3 4383 B12R0.5 C=CCCCOCCOCCNC 34a_100000228057_100000757094 [0,1,0,0,0,0|3,0,0]=4 4384 B12R0.5 C=CCCCOCCOCCOC 34a_100000758997_100000695917 [0,1,0,0,0,0|3,0,0]=4 4385 B12R0.5 C=CCCCOCCOCCOC 34a_100011215163_100000757094 [0,1,0,0,0,0|3,0,0]=4 4386 B12R0.5 C=CCCCOCCOCCOC 7a_100000758997_100000695917 [0,1,0,0,0,0|3,0,0]=4 4387 B12R0.5 C=CCCCOCCOCCOC 7a_100011215163_100000757094 [0,1,0,0,0,0|3,0,0]=4 4388 B12R0.5 C=CCCCOCCSCCCC 34a_200000230436_100000757094 [0,1,0,0,0,0|2,0,0]=3 4389 B12R0.5 C=CCCCOCCSCCCC 7a_200000230436_100000757094 [0,1,0,0,0,0|2,0,0]=3 4390 B12R0.5 C=CCCCSCCCCCC#N 62a_100009813376_100000757094 [0,1,0,0,0,0|2,0,1]=4 4391 B12R0.5 C=CCCCSCCCCCC#N 62a_100011713584_100009813376 [0,1,0,0,0,0|2,0,1]=4 4392 B12R0.5 C=CCCCSCCCCCC=O 62a_100000139337_100000757094 [0,1,0,0,0,0|0,0,2]=3 4393 B12R0.5 C=CCCCSCCCCCC=O 62a_100011713584_100000139337 [0,1,0,0,0,0|0,0,2]=3 4394 B12R0.5 C=CCCCSCCCCCCC 62a_100000210614_100000757094 [0,1,0,0,0,0|1,0,0]=2 4395 B12R0.5 C=CCCCSCCCCCCC 62a_100011713584_100000210316 [0,1,0,0,0,0|1,0,0]=2 4396 B12R0.5 C=CCCCSCCCCCCF 62a_100011713584_100015922095 [0,1,0,0,0,0|2,0,0]=3 4397 B12R0.5 C=CCCCSCCCCCCF 62a_100015922095_100000757094 [0,1,0,0,0,0|2,0,0]=3 4398 B12R0.5 C=CCCCSCCCCCCO 62a_100000766143_100000757094 [0,1,0,0,0,0|2,0,0]=3 4399 B12R0.5 C=CCCCSCCCCCCO 62a_100011713584_100000766143 [0,1,0,0,0,0|2,0,0]=3 4400 B12R0.5 C=CCCCSCCOCCCC 62a_100000743108_100000757094 [0,1,0,0,0,0|2,0,0]=3 4401 B12R0.5 C=CCCCSCCOCCCC 62a_100011713584_100000743108 [0,1,0,0,0,0|2,0,0]=3 4402 B12R0.5 C=CCCCSCCOCCOC 62a_100000695917_100000757094 [0,1,0,0,0,0|3,0,0]=4 4403 B12R0.5 C=CCCCSCCOCCOC 62a_100011713584_100000695917 [0,1,0,0,0,0|3,0,0]=4 4404 B12R0.5 C=CCCNCC#CCCCCC 2230a_100015191253_100009816472 [0,1,0,0,0,0|1,0,2]=4 4405 B12R0.5 C=CCCNCCCCCCC#N 2230a_100015191253_100009813337 [0,1,0,0,0,0|2,0,1]=4 4406 B12R0.5 C=CCCNCCCCCCCC 2230a_100000229939_100000754431 [0,1,0,0,0,0|1,0,0]=2 4407 B12R0.5 C=CCCNCCCCCCCC 2230a_100015191253_100000210759 [0,1,0,0,0,0|1,0,0]=2 4408 B12R0.5 C=CCCNCCCCCCCC 34a_100000229939_100000754431 [0,1,0,0,0,0|1,0,0]=2 4409 B12R0.5 C=CCCNCCCCCCCO 2230a_100011996573_100000754431 [0,1,0,0,0,0|2,0,0]=3 4410 B12R0.5 C=CCCNCCCCCCCO 2230a_100015191253_100000760002 [0,1,0,0,0,0|2,0,0]=3 4411 B12R0.5 C=CCCNCCCCCCCO 34a_100011996573_100000754431 [0,1,0,0,0,0|2,0,0]=3 4412 B12R0.5 C=CCCNCCCCCCOC 2230a_100015191253_100011998445 [0,1,0,0,0,0|2,0,0]=3 4413 B12R0.5 C=CCCNCCCOCCCC 2230a_200000211371_100000754431 [0,1,0,0,0,0|2,0,0]=3 4414 B12R0.5 C=CCCNCCCOCCCC 34a_200000211371_100000754431 [0,1,0,0,0,0|2,0,0]=3 4415 B12R0.5 C=CCCNCCCOCCCO 2230a_100011310245_100000754431 [0,1,0,0,0,0|3,0,0]=4 4416 B12R0.5 C=CCCNCCCOCCCO 34a_100011310245_100000754431 [0,1,0,0,0,0|3,0,0]=4 4417 B12R0.5 C=CCCNCCCOCCOC 2230a_100000206027_100000754431 [0,1,0,0,0,0|3,0,0]=4 4418 B12R0.5 C=CCCNCCCOCCOC 2230a_100015191253_100011216529 [0,1,0,0,0,0|3,0,0]=4 4419 B12R0.5 C=CCCNCCCOCCOC 34a_100000206027_100000754431 [0,1,0,0,0,0|3,0,0]=4 4420 B12R0.5 C=CCCNCCOCCOCC 2230a_100015191253_100011211534 [0,1,0,0,0,0|3,0,0]=4 4421 B12R0.5 C=CCCNCCOCCOCC 2230a_100102712874_100000754431 [0,1,0,0,0,0|3,0,0]=4 4422 B12R0.5 C=CCCNCCOCCOCC 34a_100102712874_100000754431 [0,1,0,0,0,0|3,0,0]=4 4423 B12R0.5 C=CCCOC/C=C/CCCCC 34a_100016258190_100000754431 [0,1,0,0,0,0|1,0,2]=4 4424 B12R0.5 C=CCCOC/C=C/CCCCC 7a_100016258190_100000754431 [0,1,0,0,0,0|1,0,2]=4 4425 B12R0.5 C=CCCOCC#CCCCCC 34a_100011205117_100009816472 [0,1,0,0,0,0|1,0,2]=4 4426 B12R0.5 C=CCCOCC#CCCCCC 34a_200000033628_100000754431 [0,1,0,0,0,0|1,0,2]=4 4427 B12R0.5 C=CCCOCC#CCCCCC 7a_200000033628_100000754431 [0,1,0,0,0,0|1,0,2]=4 4428 B12R0.5 C=CCCOCC/C=C\CCCC 34a_200016286491_100000754431 [0,1,0,0,0,0|1,0,2]=4 4429 B12R0.5 C=CCCOCC/C=C\CCCC 7a_200016286491_100000754431 [0,1,0,0,0,0|1,0,2]=4 4430 B12R0.5 C=CCCOCCC#CCCCC 34a_100000037610_100000754431 [0,1,0,0,0,0|1,0,2]=4 4431 B12R0.5 C=CCCOCCC#CCCCC 7a_100000037610_100000754431 [0,1,0,0,0,0|1,0,2]=4 4432 B12R0.5 C=CCCOCCCC/C=C\CC 34a_100016287862_100000754431 [0,1,0,0,0,0|1,0,2]=4 4433 B12R0.5 C=CCCOCCCC/C=C\CC 7a_100016287862_100000754431 [0,1,0,0,0,0|1,0,2]=4 4434 B12R0.5 C=CCCOCCCCCCCBr 34a_100000760002_100000754431 [0,1,0,0,0,0|2,0,0]=3 4435 B12R0.5 C=CCCOCCCCCCCBr 7a_100000760002_100000754431 [0,1,0,0,0,0|2,0,0]=3 4436 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [0,1,0,0,0,0|1,0,0]=2 4437 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [0,1,0,0,0,0|1,0,0]=2 4438 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [0,1,0,0,0,0|1,0,0]=2 4439 B12R0.5 C=CCCOCCCCCCCN 34a_100011996573_100000754431 [0,1,0,0,0,0|2,0,0]=3 4440 B12R0.5 C=CCCOCCCCCCCO 34a_100011205117_100000760002 [0,1,0,0,0,0|2,0,0]=3 4441 B12R0.5 C=CCCOCCCCCCOC 34a_100011205117_100011998445 [0,1,0,0,0,0|2,0,0]=3 4442 B12R0.5 C=CCCOCCCCCCOC 34a_200012092642_100000754431 [0,1,0,0,0,0|2,0,0]=3 4443 B12R0.5 C=CCCOCCCCCCOC 7a_200012092642_100000754431 [0,1,0,0,0,0|2,0,0]=3 4444 B12R0.5 C=CCCOCCCOCCCC 34a_200011215613_100000754431 [0,1,0,0,0,0|2,0,0]=3 4445 B12R0.5 C=CCCOCCCOCCCC 7a_200011215613_100000754431 [0,1,0,0,0,0|2,0,0]=3 4446 B12R0.5 C=CCCOCCCOCCCN 34a_100011310245_100000754431 [0,1,0,0,0,0|3,0,0]=4 4447 B12R0.5 C=CCCOCCCOCCOC 34a_100011205117_100011216529 [0,1,0,0,0,0|3,0,0]=4 4448 B12R0.5 C=CCCOCCNCCCCC 34a_100000224656_100000754431 [0,1,0,0,0,0|2,0,0]=3 4449 B12R0.5 C=CCCOCCOCCCCC 34a_100011215259_100000754431 [0,1,0,0,0,0|2,0,0]=3 4450 B12R0.5 C=CCCOCCOCCCCC 7a_100011215259_100000754431 [0,1,0,0,0,0|2,0,0]=3 4451 B12R0.5 C=CCCOCCOCCOCC 34a_100000210240_100000754431 [0,1,0,0,0,0|3,0,0]=4 4452 B12R0.5 C=CCCOCCOCCOCC 34a_100011205117_100011211534 [0,1,0,0,0,0|3,0,0]=4 4453 B12R0.5 C=CCCOCCOCCOCC 7a_100000210240_100000754431 [0,1,0,0,0,0|3,0,0]=4 4454 B12R0.5 C=CCCSCC#CCCCCC 62a_100000754431_100009816472 [0,1,0,0,0,0|1,0,2]=4 4455 B12R0.5 C=CCCSCC#CCCCCC 62a_100009816472_100000754431 [0,1,0,0,0,0|1,0,2]=4 4456 B12R0.5 C=CCCSCCCCCCC#N 62a_100000754431_100009813337 [0,1,0,0,0,0|2,0,1]=4 4457 B12R0.5 C=CCCSCCCCCCC#N 62a_100009813337_100000754431 [0,1,0,0,0,0|2,0,1]=4 4458 B12R0.5 C=CCCSCCCCCCCC 62a_100000210759_100000754431 [0,1,0,0,0,0|1,0,0]=2 4459 B12R0.5 C=CCCSCCCCCCCC 62a_100000754431_100000210317 [0,1,0,0,0,0|1,0,0]=2 4460 B12R0.5 C=CCCSCCCCCCCO 62a_100000754431_100000760002 [0,1,0,0,0,0|2,0,0]=3 4461 B12R0.5 C=CCCSCCCCCCCO 62a_100000760002_100000754431 [0,1,0,0,0,0|2,0,0]=3 4462 B12R0.5 C=CCCSCCCCCCOC 62a_100000754431_100011998445 [0,1,0,0,0,0|2,0,0]=3 4463 B12R0.5 C=CCCSCCCCCCOC 62a_100011998445_100000754431 [0,1,0,0,0,0|2,0,0]=3 4464 B12R0.5 C=CCCSCCCOCCOC 62a_100000754431_100011216529 [0,1,0,0,0,0|3,0,0]=4 4465 B12R0.5 C=CCCSCCCOCCOC 62a_100011216529_100000754431 [0,1,0,0,0,0|3,0,0]=4 4466 B12R0.5 C=CCCSCCOCCOCC 62a_100000754431_100011211534 [0,1,0,0,0,0|3,0,0]=4 4467 B12R0.5 C=CCCSCCOCCOCC 62a_100011211534_100000754431 [0,1,0,0,0,0|3,0,0]=4 4468 B12R0.5 C=CCNCCCC#CCCCC 2230a_100020586998_200000047210 [0,1,0,0,0,0|1,0,2]=4 4469 B12R0.5 C=CCNCCCCCCCCC 2230a_100000212291_100000210623 [0,1,0,0,0,0|1,0,0]=2 4470 B12R0.5 C=CCNCCCCCCCCC 2230a_100020586998_100011214924 [0,1,0,0,0,0|1,0,0]=2 4471 B12R0.5 C=CCNCCCCCCCCC 34a_100000212291_100015514636 [0,1,0,0,0,0|1,0,0]=2 4472 B12R0.5 C=CCNCCCCCCCCO 2230a_100020586998_100000033203 [0,1,0,0,0,0|2,0,0]=3 4473 B12R0.5 C=CCNCCCCCCCCO 2230a_102515433106_100000210623 [0,1,0,0,0,0|2,0,0]=3 4474 B12R0.5 C=CCNCCCCCCCCO 34a_102515433106_100015514636 [0,1,0,0,0,0|2,0,0]=3 4475 B12R0.5 C=CCNCCOCCOCCC 2230a_200011904461_100000210623 [0,1,0,0,0,0|3,0,0]=4 4476 B12R0.5 C=CCNCCOCCOCCC 34a_200011904461_100015514636 [0,1,0,0,0,0|3,0,0]=4 4477 B12R0.5 C=CCOC/C=C/CCCCCC 34a_200016276170_100015514636 [0,1,0,0,0,0|1,0,2]=4 4478 B12R0.5 C=CCOC/C=C/CCCCCC 7a_200016276170_100015514636 [0,1,0,0,0,0|1,0,2]=4 4479 B12R0.5 C=CCOCC#CCCCCCC 34a_200000037284_100015514636 [0,1,0,0,0,0|1,0,2]=4 4480 B12R0.5 C=CCOCC#CCCCCCC 7a_200000037284_100015514636 [0,1,0,0,0,0|1,0,2]=4 4481 B12R0.5 C=CCOCC/C=C\CCCCC 34a_100016277358_100015514636 [0,1,0,0,0,0|1,0,2]=4 4482 B12R0.5 C=CCOCC/C=C\CCCCC 7a_100016277358_100015514636 [0,1,0,0,0,0|1,0,2]=4 4483 B12R0.5 C=CCOCCC#CCCCCC 34a_200000042877_100015514636 [0,1,0,0,0,0|1,0,2]=4 4484 B12R0.5 C=CCOCCC#CCCCCC 7a_200000042877_100015514636 [0,1,0,0,0,0|1,0,2]=4 4485 B12R0.5 C=CCOCCCC#CCCCC 34a_200000210373_200000047210 [0,1,0,0,0,0|1,0,2]=4 4486 B12R0.5 C=CCOCCCCC/C=C\CC 34a_100016268722_100015514636 [0,1,0,0,0,0|1,0,2]=4 4487 B12R0.5 C=CCOCCCCC/C=C\CC 7a_100016268722_100015514636 [0,1,0,0,0,0|1,0,2]=4 4488 B12R0.5 C=CCOCCCCCCCCBr 34a_100009813846_100015514636 [0,1,0,0,0,0|2,0,0]=3 4489 B12R0.5 C=CCOCCCCCCCCBr 7a_100009813846_100015514636 [0,1,0,0,0,0|2,0,0]=3 4490 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [0,1,0,0,0,0|1,0,0]=2 4491 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [0,1,0,0,0,0|1,0,0]=2 4492 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [0,1,0,0,0,0|1,0,0]=2 4493 B12R0.5 C=CCOCCCCCCCCCl 34a_100000033203_100015514636 [0,1,0,0,0,0|2,0,0]=3 4494 B12R0.5 C=CCOCCCCCCCCCl 7a_100000033203_100015514636 [0,1,0,0,0,0|2,0,0]=3 4495 B12R0.5 C=CCOCCCCCCCCN 34a_102515433106_100015514636 [0,1,0,0,0,0|2,0,0]=3 4496 B12R0.5 C=CCOCCCCCCCCO 34a_200000210373_100000033203 [0,1,0,0,0,0|2,0,0]=3 4497 B12R0.5 C=CCOCCCCCNCCN 34a_103619048469_100015514636 [0,1,0,0,0,0|3,0,0]=4 4498 B12R0.5 C=CCOCCCCNCCCC 34a_200011216965_100015514636 [0,1,0,0,0,0|2,0,0]=3 4499 B12R0.5 C=CCOCCCCOCCCC 34a_200000760531_100015514636 [0,1,0,0,0,0|2,0,0]=3 4500 B12R0.5 C=CCOCCCCOCCCC 7a_200000760531_100015514636 [0,1,0,0,0,0|2,0,0]=3 4501 B12R0.5 C=CCOCCCOCCCOC 34a_200011215475_100015514636 [0,1,0,0,0,0|3,0,0]=4 4502 B12R0.5 C=CCOCCCOCCCOC 7a_200011215475_100015514636 [0,1,0,0,0,0|3,0,0]=4 4503 B12R0.5 C=CCOCCOCCCCC=O 7a_100000037705_100000139335 [0,1,0,0,0,0|1,0,2]=4 4504 B12R0.5 C=CCOCCOCCCCCC 34a_100000037705_100000210314 [0,1,0,0,0,0|2,0,0]=3 4505 B12R0.5 C=CCOCCOCCCCCC 34a_100000691444_100015514636 [0,1,0,0,0,0|2,0,0]=3 4506 B12R0.5 C=CCOCCOCCCCCC 7a_100000037705_100000210314 [0,1,0,0,0,0|2,0,0]=3 4507 B12R0.5 C=CCOCCOCCCCCC 7a_100000691444_100015514636 [0,1,0,0,0,0|2,0,0]=3 4508 B12R0.5 C=CCOCCOCCCCCF 34a_100000037705_100000729378 [0,1,0,0,0,0|3,0,0]=4 4509 B12R0.5 C=CCOCCOCCCCCF 7a_100000037705_100000729378 [0,1,0,0,0,0|3,0,0]=4 4510 B12R0.5 C=CCOCCOCCCCCO 34a_100000037705_100000746330 [0,1,0,0,0,0|3,0,0]=4 4511 B12R0.5 C=CCOCCOCCCCCO 7a_100000037705_100000746330 [0,1,0,0,0,0|3,0,0]=4 4512 B12R0.5 C=CCOCCOCCCCOC 34a_100000037705_100000755781 [0,1,0,0,0,0|3,0,0]=4 4513 B12R0.5 C=CCOCCOCCCCOC 7a_100000037705_100000730899 [0,1,0,0,0,0|3,0,0]=4 4514 B12R0.5 C=CCOCCOCCCOCC 34a_100000037705_100012232248 [0,1,0,0,0,0|3,0,0]=4 4515 B12R0.5 C=CCOCCOCCCOCC 7a_100000037705_100012232248 [0,1,0,0,0,0|3,0,0]=4 4516 B12R0.5 C=CCOCCOCCOCCC 34a_100000037705_100011215938 [0,1,0,0,0,0|3,0,0]=4 4517 B12R0.5 C=CCOCCOCCOCCC 34a_100000065479_100000210303 [0,1,0,0,0,0|3,0,0]=4 4518 B12R0.5 C=CCOCCOCCOCCC 7a_100000037705_100011215938 [0,1,0,0,0,0|3,0,0]=4 4519 B12R0.5 C=CCOCCOCCOCCC 7a_100000065479_100000210303 [0,1,0,0,0,0|3,0,0]=4 4520 B12R0.5 C=CCOCCOCOCCCC 34a_100000037705_100011995733 [0,1,0,0,0,0|3,0,0]=4 4521 B12R0.5 C=CCSCCCC#CCCCC 62a_100000210623_200000047210 [0,1,0,0,0,0|1,0,2]=4 4522 B12R0.5 C=CCSCCCC#CCCCC 62a_200000047210_100000210623 [0,1,0,0,0,0|1,0,2]=4 4523 B12R0.5 C=CCSCCCCCCCCC 62a_100000210623_100000210670 [0,1,0,0,0,0|1,0,0]=2 4524 B12R0.5 C=CCSCCCCCCCCO 62a_100000033203_100000210623 [0,1,0,0,0,0|2,0,0]=3 4525 B12R0.5 C=CCSCCCCCCCCO 62a_100000210623_100000033203 [0,1,0,0,0,0|2,0,0]=3 4526 B12R0.5 C=COCCCCOCCCC=O 7a_100000031558_200011292268 [0,1,0,0,0,0|1,0,2]=4 4527 B12R0.5 C=COCCCCOCCCCC 34a_100000031558_100000718602 [0,1,0,0,0,0|2,0,0]=3 4528 B12R0.5 C=COCCCCOCCCCC 7a_100000031558_100000210326 [0,1,0,0,0,0|2,0,0]=3 4529 B12R0.5 C=COCCCCOCCCCF 34a_100000031558_100000729493 [0,1,0,0,0,0|3,0,0]=4 4530 B12R0.5 C=COCCCCOCCCCF 7a_100000031558_100000729493 [0,1,0,0,0,0|3,0,0]=4 4531 B12R0.5 C=COCCCCOCCCCO 34a_100000031558_100011216708 [0,1,0,0,0,0|3,0,0]=4 4532 B12R0.5 C=COCCCCOCCCCO 7a_100000031558_100000210776 [0,1,0,0,0,0|3,0,0]=4 4533 B12R0.5 C=COCCCCOCCCOC 34a_100000031558_100000740836 [0,1,0,0,0,0|3,0,0]=4 4534 B12R0.5 C=COCCCCOCCCOC 7a_100000031558_100000740836 [0,1,0,0,0,0|3,0,0]=4 4535 B12R0.5 C=COCCCCOCCOCC 34a_100000031558_100000210147 [0,1,0,0,0,0|3,0,0]=4 4536 B12R0.5 C=COCCCCOCCOCC 7a_100000031558_100011215890 [0,1,0,0,0,0|3,0,0]=4 4537 B12R0.5 C=COCCCCOCCSCC 34a_100000031558_100000757381 [0,1,0,0,0,0|3,0,0]=4 4538 B12R0.5 C=COCCCCOCCSCC 7a_100000031558_100000757381 [0,1,0,0,0,0|3,0,0]=4 4539 B12R0.5 C=COCCCNCCCCC=O 2230a_100000210767_100000139335 [0,1,0,0,0,0|1,0,2]=4 4540 B12R0.5 C=COCCCNCCCCCC 2230a_100000210767_100000210314 [0,1,0,0,0,0|2,0,0]=3 4541 B12R0.5 C=COCCCNCCCCCC 34a_100000210767_100000210314 [0,1,0,0,0,0|2,0,0]=3 4542 B12R0.5 C=COCCCNCCCCCF 2230a_100000210767_100000729378 [0,1,0,0,0,0|3,0,0]=4 4543 B12R0.5 C=COCCCNCCCCCF 34a_100000210767_100000729378 [0,1,0,0,0,0|3,0,0]=4 4544 B12R0.5 C=COCCCNCCCCCO 2230a_100000210767_100000746330 [0,1,0,0,0,0|3,0,0]=4 4545 B12R0.5 C=COCCCNCCCCCO 34a_100000210767_100000746330 [0,1,0,0,0,0|3,0,0]=4 4546 B12R0.5 C=COCCCNCCCCOC 2230a_100000210767_100000730899 [0,1,0,0,0,0|3,0,0]=4 4547 B12R0.5 C=COCCCNCCCCOC 34a_100000210767_100000755781 [0,1,0,0,0,0|3,0,0]=4 4548 B12R0.5 C=COCCCNCCCOCC 2230a_100000210767_100012232248 [0,1,0,0,0,0|3,0,0]=4 4549 B12R0.5 C=COCCCNCCCOCC 34a_100000210767_100012232248 [0,1,0,0,0,0|3,0,0]=4 4550 B12R0.5 C=COCCCNCCOCCC 2230a_100000210767_100011215938 [0,1,0,0,0,0|3,0,0]=4 4551 B12R0.5 C=COCCCNCCOCCC 34a_100000210767_100011215938 [0,1,0,0,0,0|3,0,0]=4 4552 B12R0.5 C=COCCCNCOCCCC 2230a_100000210767_100011995733 [0,1,0,0,0,0|3,0,0]=4 4553 B12R0.5 C=COCCCNCOCCCC 34a_100000210767_100011995733 [0,1,0,0,0,0|3,0,0]=4 4554 B12R0.5 C=COCCNCCCCCCC 2230a_100000229938_100000039644 [0,1,0,0,0,0|2,0,0]=3 4555 B12R0.5 C=COCCNCCCCCCO 2230a_100000686447_100000039644 [0,1,0,0,0,0|3,0,0]=4 4556 B12R0.5 C=COCCNCCCCCCO 34a_100000686447_100000039644 [0,1,0,0,0,0|3,0,0]=4 4557 B12R0.5 C=COCCNCCCCCOC 2230a_100000747528_100000039644 [0,1,0,0,0,0|3,0,0]=4 4558 B12R0.5 C=COCCNCCCCCOC 34a_100000747528_100000039644 [0,1,0,0,0,0|3,0,0]=4 4559 B12R0.5 C=COCCNCCCOCCC 2230a_100011217757_100000039644 [0,1,0,0,0,0|3,0,0]=4 4560 B12R0.5 C=COCCNCCCOCCC 34a_100011217757_100000039644 [0,1,0,0,0,0|3,0,0]=4 4561 B12R0.5 C=COCCNCCSCCCC 2230a_100025743550_100000039644 [0,1,0,0,0,0|3,0,0]=4 4562 B12R0.5 C=COCCOCCCCCCBr 34a_100011215345_100000039644 [0,1,0,0,0,0|3,0,0]=4 4563 B12R0.5 C=COCCOCCCCCCBr 7a_100011215345_100000039644 [0,1,0,0,0,0|3,0,0]=4 4564 B12R0.5 C=COCCOCCCCCCC 34a_100000033082_100000210614 [0,1,0,0,0,0|2,0,0]=3 4565 B12R0.5 C=COCCOCCCCCCC 34a_100000210272_100000039644 [0,1,0,0,0,0|2,0,0]=3 4566 B12R0.5 C=COCCOCCCCCCC 7a_100000210272_100000039644 [0,1,0,0,0,0|2,0,0]=3 4567 B12R0.5 C=COCCOCCCCCCCl 34a_100000766143_100000039644 [0,1,0,0,0,0|3,0,0]=4 4568 B12R0.5 C=COCCOCCCCCCCl 7a_100000766143_100000039644 [0,1,0,0,0,0|3,0,0]=4 4569 B12R0.5 C=COCCOCCCCCCF 34a_100000033082_100015922095 [0,1,0,0,0,0|3,0,0]=4 4570 B12R0.5 C=COCCOCCCCCCF 34a_100000732779_100000039644 [0,1,0,0,0,0|3,0,0]=4 4571 B12R0.5 C=COCCOCCCCCCF 7a_100000732779_100000039644 [0,1,0,0,0,0|3,0,0]=4 4572 B12R0.5 C=COCCOCCCCCCN 34a_100000686447_100000039644 [0,1,0,0,0,0|3,0,0]=4 4573 B12R0.5 C=COCCOCCCCCCO 34a_100000033082_100000766143 [0,1,0,0,0,0|3,0,0]=4 4574 B12R0.5 C=COCCOCCCCCNC 34a_100000722520_100000039644 [0,1,0,0,0,0|3,0,0]=4 4575 B12R0.5 C=COCCOCCOCCCC 34a_100000033082_100000743108 [0,1,0,0,0,0|3,0,0]=4 4576 B12R0.5 C=COCCOCCOCCCC 34a_100000039918_100000210210 [0,1,0,0,0,0|3,0,0]=4 4577 B12R0.5 C=COCCOCCOCCCC 34a_100000210238_100000039644 [0,1,0,0,0,0|3,0,0]=4 4578 B12R0.5 C=COCCOCCOCCCC 7a_100000039918_100000210211 [0,1,0,0,0,0|3,0,0]=4 4579 B12R0.5 C=COCCOCCOCCCC 7a_100000210238_100000039644 [0,1,0,0,0,0|3,0,0]=4 4580 B12R0.5 C=COCCOCCSCCCC 34a_200000230436_100000039644 [0,1,0,0,0,0|3,0,0]=4 4581 B12R0.5 C=COCCOCCSCCCC 7a_200000230436_100000039644 [0,1,0,0,0,0|3,0,0]=4 4582 B12R0.5 C=COCCSCCCCCC=O 62a_100000039644_100000139337 [0,1,0,0,0,0|1,0,2]=4 4583 B12R0.5 C=COCCSCCCCCC=O 62a_100000139337_100000039644 [0,1,0,0,0,0|1,0,2]=4 4584 B12R0.5 C=COCCSCCCCCCC 62a_100000039644_100000210316 [0,1,0,0,0,0|2,0,0]=3 4585 B12R0.5 C=COCCSCCCCCCC 62a_100000210614_100000039644 [0,1,0,0,0,0|2,0,0]=3 4586 B12R0.5 C=COCCSCCCCCCF 62a_100000039644_100015922095 [0,1,0,0,0,0|3,0,0]=4 4587 B12R0.5 C=COCCSCCCCCCF 62a_100015922095_100000039644 [0,1,0,0,0,0|3,0,0]=4 4588 B12R0.5 C=COCCSCCCCCCO 62a_100000039644_100000766143 [0,1,0,0,0,0|3,0,0]=4 4589 B12R0.5 C=COCCSCCCCCCO 62a_100000766143_100000039644 [0,1,0,0,0,0|3,0,0]=4 4590 B12R0.5 C=COCCSCCOCCCC 62a_100000039644_100000743108 [0,1,0,0,0,0|3,0,0]=4 4591 B12R0.5 C=COCCSCCOCCCC 62a_100000743108_100000039644 [0,1,0,0,0,0|3,0,0]=4 4592 B12R0.5 CC#CCCOCCCCCCC 34a_100000750427_100000210614 [0,1,0,0,0,0|1,0,2]=4 4593 B12R0.5 CC#CCNCCCCCCCC 2230a_100000229939_100000748600 [0,1,0,0,0,0|1,0,2]=4 4594 B12R0.5 CC#CCNCCCCCCCC 2230a_100000685387_100000210759 [0,1,0,0,0,0|1,0,2]=4 4595 B12R0.5 CC#CCNCCCCCCCC 34a_100000229939_100000748600 [0,1,0,0,0,0|1,0,2]=4 4596 B12R0.5 CC#CCNCCCCCCCC 34a_100000685387_100000210759 [0,1,0,0,0,0|1,0,2]=4 4597 B12R0.5 CC#CCOCCCCCCCC 34a_100000210232_100000748600 [0,1,0,0,0,0|1,0,2]=4 4598 B12R0.5 CC#CCOCCCCCCCC 34a_100000761923_100000210759 [0,1,0,0,0,0|1,0,2]=4 4599 B12R0.5 CC#CCOCCCCCCCC 7a_100000210232_100000748600 [0,1,0,0,0,0|1,0,2]=4 4600 B12R0.5 CC#CCSCCCCCCCC 62a_100000210759_100000748600 [0,1,0,0,0,0|1,0,2]=4 4601 B12R0.5 CC#CCSCCCCCCCC 62a_100000748600_100000210317 [0,1,0,0,0,0|1,0,2]=4 4602 B12R0.5 CC/C=C/CCCOCCCC=O 7a_100016287902_200011292268 [0,1,0,0,0,0|0,0,2]=3 4603 B12R0.5 CC/C=C/CCCOCCCCC 34a_100016287902_100000718602 [0,1,0,0,0,0|2,0,1]=4 4604 B12R0.5 CC/C=C/CCCOCCCCC 7a_100016287902_100000210326 [0,1,0,0,0,0|2,0,1]=4 4605 B12R0.5 CC/C=C\CCCCCCCNC 269862a_106832991636_200025770492 [0,1,0,0,0,0|2,0,1]=4 4606 B12R0.5 CC/C=C\CCCCCNCCC 269862a_100020643023_100016288537 [0,1,0,0,0,0|2,0,1]=4 4607 B12R0.5 CC/C=C\CCCCCOCC=O 34a_100016268722_200009817547 [0,1,0,0,0,0|0,0,2]=3 4608 B12R0.5 CC/C=C\CCCCCOCC=O 7a_100016268722_200015260668 [0,1,0,0,0,0|0,0,2]=3 4609 B12R0.5 CC/C=C\CCCCCOCCC 34a_100016268722_100000210303 [0,1,0,0,0,0|2,0,1]=4 4610 B12R0.5 CC/C=C\CCCCCOCCC 7a_100016268722_100000210303 [0,1,0,0,0,0|2,0,1]=4 4611 B12R0.5 CC/C=C\CCCCOCCCC 34a_100016287862_100000210210 [0,1,0,0,0,0|2,0,1]=4 4612 B12R0.5 CC/C=C\CCCCOCCCC 7a_100016287862_100000210211 [0,1,0,0,0,0|2,0,1]=4 4613 B12R0.5 CC/C=C\CCNCCCCCC 2230a_100000210581_100015370543 [0,1,0,0,0,0|2,0,1]=4 4614 B12R0.5 CC/C=C\CCOCCCCC=O 7a_100016288707_100000139335 [0,1,0,0,0,0|0,0,2]=3 4615 B12R0.5 CC/C=C\CCOCCCCCC 34a_100000210259_100015370543 [0,1,0,0,0,0|2,0,1]=4 4616 B12R0.5 CC/C=C\CCOCCCCCC 34a_100016288707_100000210314 [0,1,0,0,0,0|2,0,1]=4 4617 B12R0.5 CC/C=C\CCOCCCCCC 7a_100000210259_100015370543 [0,1,0,0,0,0|2,0,1]=4 4618 B12R0.5 CC/C=C\CCOCCCCCC 7a_100016288707_100000210314 [0,1,0,0,0,0|2,0,1]=4 4619 B12R0.5 CC/C=C\CCSCCCCC=O 62a_100000139335_100015370543 [0,1,0,0,0,0|0,0,2]=3 4620 B12R0.5 CC/C=C\CCSCCCCC=O 62a_100015370543_100000139335 [0,1,0,0,0,0|0,0,2]=3 4621 B12R0.5 CC/C=C\CCSCCCCCC 62a_100000210314_100015370543 [0,1,0,0,0,0|2,0,1]=4 4622 B12R0.5 CC/C=C\CCSCCCCCC 62a_100015370543_100000210757 [0,1,0,0,0,0|2,0,1]=4 4623 B12R0.5 CC/C=C\CNCCCCCCC 2230a_100000229938_100103147603 [0,1,0,0,0,0|2,0,1]=4 4624 B12R0.5 CC/C=C\COCCCCCCC 34a_100000210272_100103147603 [0,1,0,0,0,0|2,0,1]=4 4625 B12R0.5 CC/C=C\COCCCCCCC 34a_100016268518_100000210614 [0,1,0,0,0,0|2,0,1]=4 4626 B12R0.5 CC/C=C\COCCCCCCC 7a_100000210272_100103147603 [0,1,0,0,0,0|2,0,1]=4 4627 B12R0.5 CC/C=C\CSCCCCCC=O 62a_100000139337_100103147603 [0,1,0,0,0,0|0,0,2]=3 4628 B12R0.5 CC/C=C\CSCCCCCC=O 62a_100103147603_100000139337 [0,1,0,0,0,0|0,0,2]=3 4629 B12R0.5 CC/C=C\CSCCCCCCC 62a_100000210614_100103147603 [0,1,0,0,0,0|2,0,1]=4 4630 B12R0.5 CC/C=C\CSCCCCCCC 62a_100103147603_100000210316 [0,1,0,0,0,0|2,0,1]=4 4631 B12R0.5 CC=C=CCCOCCCCCC 34a_100011020354_100000210314 [0,1,0,0,0,0|1,0,2]=4 4632 B12R0.5 CC=CCCCOCCCCCC 34a_100020645299_100000210314 [0,1,0,0,0,0|1,0,1]=3 4633 B12R0.5 CC=CCCCOCCCCCF 34a_100020645299_100000729378 [0,1,0,0,0,0|2,0,1]=4 4634 B12R0.5 CC=CCCCOCCCCCO 34a_100020645299_100000746330 [0,1,0,0,0,0|2,0,1]=4 4635 B12R0.5 CC=CCCCOCCCCOC 34a_100020645299_100000755781 [0,1,0,0,0,0|2,0,1]=4 4636 B12R0.5 CC=CCCCOCCCOCC 34a_100020645299_100012232248 [0,1,0,0,0,0|2,0,1]=4 4637 B12R0.5 CC=CCCCOCCOCCC 34a_100020645299_100011215938 [0,1,0,0,0,0|2,0,1]=4 4638 B12R0.5 CC=CCCCOCOCCCC 34a_100020645299_100011995733 [0,1,0,0,0,0|2,0,1]=4 4639 B12R0.5 CC=CCNCCCCCCCC 2230a_100000229939_100000070051 [0,1,0,0,0,0|1,0,1]=3 4640 B12R0.5 CC=CCNCCCCCCCC 34a_100000229939_100000070051 [0,1,0,0,0,0|1,0,1]=3 4641 B12R0.5 CC=CCNCCCCCCCO 2230a_100011996573_100000070051 [0,1,0,0,0,0|2,0,1]=4 4642 B12R0.5 CC=CCNCCCCCCCO 34a_100011996573_100000070051 [0,1,0,0,0,0|2,0,1]=4 4643 B12R0.5 CC=CCNCCCOCCCC 2230a_200000211371_100000070051 [0,1,0,0,0,0|2,0,1]=4 4644 B12R0.5 CC=CCNCCCOCCCC 34a_200000211371_100000070051 [0,1,0,0,0,0|2,0,1]=4 4645 B12R0.5 CC=CCOCCCCCCCBr 34a_100000760002_100000070051 [0,1,0,0,0,0|2,0,1]=4 4646 B12R0.5 CC=CCOCCCCCCCBr 7a_100000760002_100000070051 [0,1,0,0,0,0|2,0,1]=4 4647 B12R0.5 CC=CCOCCCCCCCC 34a_100000210232_100000070051 [0,1,0,0,0,0|1,0,1]=3 4648 B12R0.5 CC=CCOCCCCCCCC 7a_100000210232_100000070051 [0,1,0,0,0,0|1,0,1]=3 4649 B12R0.5 CC=CCOCCCCCCCN 34a_100011996573_100000070051 [0,1,0,0,0,0|2,0,1]=4 4650 B12R0.5 CC=CCOCCCCCCOC 34a_200012092642_100000070051 [0,1,0,0,0,0|2,0,1]=4 4651 B12R0.5 CC=CCOCCCCCCOC 7a_200012092642_100000070051 [0,1,0,0,0,0|2,0,1]=4 4652 B12R0.5 CC=CCOCCCOCCCC 34a_200011215613_100000070051 [0,1,0,0,0,0|2,0,1]=4 4653 B12R0.5 CC=CCOCCCOCCCC 7a_200011215613_100000070051 [0,1,0,0,0,0|2,0,1]=4 4654 B12R0.5 CC=CCOCCNCCCCC 34a_100000224656_100000070051 [0,1,0,0,0,0|2,0,1]=4 4655 B12R0.5 CC=CCOCCOCCCCC 34a_100011215259_100000070051 [0,1,0,0,0,0|2,0,1]=4 4656 B12R0.5 CC=CCOCCOCCCCC 7a_100011215259_100000070051 [0,1,0,0,0,0|2,0,1]=4 4657 B12R0.5 CC=CCSCCCCCCCC 62a_100000070051_100000210317 [0,1,0,0,0,0|1,0,1]=3 4658 B12R0.5 CC=CCSCCCCCCCC 62a_100000210759_100000070051 [0,1,0,0,0,0|1,0,1]=3 4659 B12R0.5 CC=CCSCCCCCCCO 62a_100000070051_100000760002 [0,1,0,0,0,0|2,0,1]=4 4660 B12R0.5 CC=CCSCCCCCCCO 62a_100000760002_100000070051 [0,1,0,0,0,0|2,0,1]=4 4661 B12R0.5 CC=CCSCCCCCCOC 62a_100000070051_100011998445 [0,1,0,0,0,0|2,0,1]=4 4662 B12R0.5 CC=CCSCCCCCCOC 62a_100011998445_100000070051 [0,1,0,0,0,0|2,0,1]=4 4663 B12R0.5 CCC#CCCOCCCCC=O 7a_100000036655_100000139335 [0,1,0,0,0,0|0,0,2]=3 4664 B12R0.5 CCC#CCSCCCCCC=O 62a_100000139337_100009813939 [0,1,0,0,0,0|0,0,2]=3 4665 B12R0.5 CCC#CCSCCCCCC=O 62a_100009813939_100000139337 [0,1,0,0,0,0|0,0,2]=3 4666 B12R0.5 CCC/C=C/COCCCCC=O 7a_100016278788_100000139335 [0,1,0,0,0,0|0,0,2]=3 4667 B12R0.5 CCCC#CCCOCCCC=O 7a_100000042726_200011292268 [0,1,0,0,0,0|0,0,2]=3 4668 B12R0.5 CCCC#CCOCCCCC=O 7a_100000034806_100000139335 [0,1,0,0,0,0|0,0,2]=3 4669 B12R0.5 CCCC/C=C/COCCCC=O 7a_200016272032_200011292268 [0,1,0,0,0,0|0,0,2]=3 4670 B12R0.5 CCCCC#CCCCSCC=O 62a_200000047210_200015260668 [0,1,0,0,0,0|0,0,2]=3 4671 B12R0.5 CCCCC#CCCCSCC=O 62a_200015260668_200000047210 [0,1,0,0,0,0|0,0,2]=3 4672 B12R0.5 CCCCC#CCOCCCC=O 7a_200000034558_200011292268 [0,1,0,0,0,0|0,0,2]=3 4673 B12R0.5 CCCCC/C=C\CCOCC=O 34a_100016277358_200009817547 [0,1,0,0,0,0|0,0,2]=3 4674 B12R0.5 CCCCC/C=C\CCOCC=O 7a_100016277358_200015260668 [0,1,0,0,0,0|0,0,2]=3 4675 B12R0.5 CCCCCC#CCCOCC=O 34a_200000042877_200009817547 [0,1,0,0,0,0|0,0,2]=3 4676 B12R0.5 CCCCCC#CCCOCC=O 7a_200000042877_200015260668 [0,1,0,0,0,0|0,0,2]=3 4677 B12R0.5 CCCCCC/C=C/COCC=O 34a_200016276170_200009817547 [0,1,0,0,0,0|0,0,2]=3 4678 B12R0.5 CCCCCC/C=C/COCC=O 7a_200016276170_200015260668 [0,1,0,0,0,0|0,0,2]=3 4679 B12R0.5 CCCCCCC#CCOCC=O 34a_200000037284_200009817547 [0,1,0,0,0,0|0,0,2]=3 4680 B12R0.5 CCCCCCC#CCOCC=O 7a_200000037284_200015260668 [0,1,0,0,0,0|0,0,2]=3 4681 B12R0.5 CCCCCCCC/C=C/COC 34a_200020667288_200000210301 [0,1,0,0,0,0|2,0,1]=4 4682 B12R0.5 CCCCCCCC/C=C/COC 7a_200020667288_200000210301 [0,1,0,0,0,0|2,0,1]=4 4683 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 34a_200020667288_200025704644 [0,1,0,0,0,0|2,0,1]=4 4684 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 7a_200020667288_200025704644 [0,1,0,0,0,0|2,0,1]=4 4685 B12R0.5 CCCCCCCCCCCNC 2230a_106832991635_100011215454 [0,1,0,0,0,0|1,0,1]=3 4686 B12R0.5 CCCCCCCCCCCNC 2230a_200011215754_200000210301 [0,1,0,0,0,0|1,0,1]=3 4687 B12R0.5 CCCCCCCCCCCNC 34a_100102657272_100011215454 [0,1,0,0,0,0|1,0,1]=3 4688 B12R0.5 CCCCCCCCCCCNC 34a_200011215754_200000210301 [0,1,0,0,0,0|1,0,1]=3 4689 B12R0.5 CCCCCCCCCCCNC 7a_106832991635_100011215454 [0,1,0,0,0,0|1,0,1]=3 4690 B12R0.5 CCCCCCCCCCCN[13CH3] 2230a_200011215754_200025704644 [0,1,0,0,0,0|1,0,1]=3 4691 B12R0.5 CCCCCCCCCCCN[13CH3] 34a_200011215754_200025704644 [0,1,0,0,0,0|1,0,1]=3 4692 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [0,1,0,0,0,0|0,0,2]=3 4693 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [0,1,0,0,0,0|0,0,2]=3 4694 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [0,1,0,0,0,0|0,0,2]=3 4695 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [0,1,0,0,0,0|0,0,2]=3 4696 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [0,1,0,0,0,0|0,0,2]=3 4697 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [0,1,0,0,0,0|0,1,1]=3 4698 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [0,1,0,0,0,0|0,1,1]=3 4699 B12R0.5 CCCCCCCCCCNCC 2230a_100000684558_100000210202 [0,1,0,0,0,0|1,0,1]=3 4700 B12R0.5 CCCCCCCCCCNCC 2230a_100015525214_100000210320 [0,1,0,0,0,0|1,0,1]=3 4701 B12R0.5 CCCCCCCCCCNCC 34a_100000684558_100000210202 [0,1,0,0,0,0|1,0,1]=3 4702 B12R0.5 CCCCCCCCCCNCF 34a_100000684558_100015361967 [0,1,0,0,0,0|1,0,1]=3 4703 B12R0.5 CCCCCCCCCCOCC 34a_100000210711_100000210202 [0,1,0,0,0,0|1,0,1]=3 4704 B12R0.5 CCCCCCCCCCOCC 34a_100121572206_100000210320 [0,1,0,0,0,0|1,0,1]=3 4705 B12R0.5 CCCCCCCCCCOCC 7a_100000210711_100000210202 [0,1,0,0,0,0|1,0,1]=3 4706 B12R0.5 CCCCCCCCCCOCF 34a_100000210711_100015361967 [0,1,0,0,0,0|1,0,1]=3 4707 B12R0.5 CCCCCCCCCCOCF 7a_100000210711_100015361967 [0,1,0,0,0,0|1,0,1]=3 4708 B12R0.5 CCCCCCCCCCSCC 62a_100000210202_100000210320 [0,1,0,0,0,0|1,0,1]=3 4709 B12R0.5 CCCCCCCCCCSCF 62a_100015361967_100000210320 [0,1,0,0,0,0|1,0,1]=3 4710 B12R0.5 CCCCCCCCCNCC#N 2230a_100000212291_100011215382 [0,1,0,0,0,0|1,0,1]=3 4711 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [0,1,0,0,0,0|0,0,0]=1 4712 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [0,1,0,0,0,0|0,0,0]=1 4713 B12R0.5 CCCCCCCCCNCCC 2230a_100000212291_100000210303 [0,1,0,0,0,0|1,0,1]=3 4714 B12R0.5 CCCCCCCCCNCCC 34a_100000212291_100000210303 [0,1,0,0,0,0|1,0,1]=3 4715 B12R0.5 CCCCCCCCCNCCF 2230a_100000212291_100011217306 [0,1,0,0,0,0|1,0,1]=3 4716 B12R0.5 CCCCCCCCCNCCF 34a_100000212291_100011217306 [0,1,0,0,0,0|1,0,1]=3 4717 B12R0.5 CCCCCCCCCNCCF 34a_100000724931_100011214924 [0,1,0,0,0,0|1,0,1]=3 4718 B12R0.5 CCCCCCCCCNCCO 2230a_100000212291_100000211926 [0,1,0,0,0,0|0,0,2]=3 4719 B12R0.5 CCCCCCCCCNCCO 2230a_100016997473_100011214924 [0,1,0,0,0,0|0,0,2]=3 4720 B12R0.5 CCCCCCCCCNCCO 34a_100000212291_100000211926 [0,1,0,0,0,0|0,0,2]=3 4721 B12R0.5 CCCCCCCCCNCCO 34a_100016990907_100011214924 [0,1,0,0,0,0|0,0,2]=3 4722 B12R0.5 CCCCCCCCCNCOC 2230a_100000212291_100000766300 [0,1,0,0,0,0|2,0,0]=3 4723 B12R0.5 CCCCCCCCCNCSC 2230a_100000212291_100011218213 [0,1,0,0,0,0|2,0,0]=3 4724 B12R0.5 CCCCCCCCCNCSC 34a_100000212291_100011218213 [0,1,0,0,0,0|2,0,0]=3 4725 B12R0.5 CCCCCCCCCOCC#N 7a_100000210712_100011215382 [0,1,0,0,0,0|1,0,1]=3 4726 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [0,1,0,0,0,0|0,0,0]=1 4727 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [0,1,0,0,0,0|0,0,0]=1 4728 B12R0.5 CCCCCCCCCOCCBr 34a_100000211926_100011214924 [0,1,0,0,0,0|1,0,1]=3 4729 B12R0.5 CCCCCCCCCOCCC 34a_100000210258_100011214924 [0,1,0,0,0,0|1,0,1]=3 4730 B12R0.5 CCCCCCCCCOCCC 34a_100000210712_100000210303 [0,1,0,0,0,0|1,0,1]=3 4731 B12R0.5 CCCCCCCCCOCCC 7a_100000210712_100000210303 [0,1,0,0,0,0|1,0,1]=3 4732 B12R0.5 CCCCCCCCCOCCF 34a_100000210712_100011217306 [0,1,0,0,0,0|1,0,1]=3 4733 B12R0.5 CCCCCCCCCOCCF 7a_100000210712_100011217306 [0,1,0,0,0,0|1,0,1]=3 4734 B12R0.5 CCCCCCCCCOCCN 34a_100000210304_100011214924 [0,1,0,0,0,0|1,0,1]=3 4735 B12R0.5 CCCCCCCCCOCCO 34a_100000210712_100000211926 [0,1,0,0,0,0|0,0,2]=3 4736 B12R0.5 CCCCCCCCCOCCO 7a_100000210712_100000211926 [0,1,0,0,0,0|0,0,2]=3 4737 B12R0.5 CCCCCCCCCOCSC 34a_100000210712_100011218213 [0,1,0,0,0,0|2,0,0]=3 4738 B12R0.5 CCCCCCCCCSCC#N 62a_100011215382_100000210670 [0,1,0,0,0,0|1,0,1]=3 4739 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [0,1,0,0,0,0|0,0,0]=1 4740 B12R0.5 CCCCCCCCCSCCC 62a_100000210303_100000210670 [0,1,0,0,0,0|1,0,1]=3 4741 B12R0.5 CCCCCCCCCSCCF 62a_100011217306_100000210670 [0,1,0,0,0,0|1,0,1]=3 4742 B12R0.5 CCCCCCCCCSCCO 62a_100000211926_100000210670 [0,1,0,0,0,0|0,0,2]=3 4743 B12R0.5 CCCCCCCCCSCOC 62a_100000766300_100000210670 [0,1,0,0,0,0|2,0,0]=3 4744 B12R0.5 CCCCCCCCCSCSC 62a_100011218213_100000210670 [0,1,0,0,0,0|2,0,0]=3 4745 B12R0.5 CCCCCCCCNCCC#N 2230a_100000229939_100011215226 [0,1,0,0,0,0|1,0,1]=3 4746 B12R0.5 CCCCCCCCNCCCC 2230a_100000102301_100000210759 [0,1,0,0,0,0|1,0,1]=3 4747 B12R0.5 CCCCCCCCNCCCC 2230a_100000229939_100000210211 [0,1,0,0,0,0|1,0,1]=3 4748 B12R0.5 CCCCCCCCNCCCC 34a_100000229939_100000210210 [0,1,0,0,0,0|1,0,1]=3 4749 B12R0.5 CCCCCCCCNCCCC 7a_106832991798_100000210759 [0,1,0,0,0,0|1,0,1]=3 4750 B12R0.5 CCCCCCCCNCCCF 2230a_100000229939_100011934791 [0,1,0,0,0,0|1,0,1]=3 4751 B12R0.5 CCCCCCCCNCCCF 2230a_100015189416_100000210759 [0,1,0,0,0,0|1,0,1]=3 4752 B12R0.5 CCCCCCCCNCCCF 34a_100000229939_100011934791 [0,1,0,0,0,0|1,0,1]=3 4753 B12R0.5 CCCCCCCCNCCCF 34a_100015189416_100000210759 [0,1,0,0,0,0|1,0,1]=3 4754 B12R0.5 CCCCCCCCNCCCO 2230a_100000229939_100000230001 [0,1,0,0,0,0|0,0,2]=3 4755 B12R0.5 CCCCCCCCNCCCO 34a_100000229939_100000230001 [0,1,0,0,0,0|0,0,2]=3 4756 B12R0.5 CCCCCCCCNCCOC 2230a_100000209980_100000210759 [0,1,0,0,0,0|2,0,0]=3 4757 B12R0.5 CCCCCCCCNCCOC 2230a_100000229939_100011201679 [0,1,0,0,0,0|2,0,0]=3 4758 B12R0.5 CCCCCCCCNCCOC 34a_100000229939_100011201679 [0,1,0,0,0,0|2,0,0]=3 4759 B12R0.5 CCCCCCCCNCCSC 2230a_100000229939_100000751147 [0,1,0,0,0,0|2,0,0]=3 4760 B12R0.5 CCCCCCCCNCCSC 2230a_100020590264_100000210759 [0,1,0,0,0,0|2,0,0]=3 4761 B12R0.5 CCCCCCCCNCCSC 34a_100000229939_100000212216 [0,1,0,0,0,0|2,0,0]=3 4762 B12R0.5 CCCCCCCCOCCC#N 7a_100000210232_100000184422 [0,1,0,0,0,0|1,0,1]=3 4763 B12R0.5 CCCCCCCCOCCCBr 34a_100011217188_100000210759 [0,1,0,0,0,0|1,0,1]=3 4764 B12R0.5 CCCCCCCCOCCCC 34a_100000210227_100000210759 [0,1,0,0,0,0|1,0,1]=3 4765 B12R0.5 CCCCCCCCOCCCC 34a_100000210232_100000210210 [0,1,0,0,0,0|1,0,1]=3 4766 B12R0.5 CCCCCCCCOCCCC 7a_100000210227_100000210759 [0,1,0,0,0,0|1,0,1]=3 4767 B12R0.5 CCCCCCCCOCCCC 7a_100000210232_100000210211 [0,1,0,0,0,0|1,0,1]=3 4768 B12R0.5 CCCCCCCCOCCCCl 34a_100000230001_100000210759 [0,1,0,0,0,0|1,0,1]=3 4769 B12R0.5 CCCCCCCCOCCCF 34a_100000210232_100011934791 [0,1,0,0,0,0|1,0,1]=3 4770 B12R0.5 CCCCCCCCOCCCF 34a_100000759539_100000210759 [0,1,0,0,0,0|1,0,1]=3 4771 B12R0.5 CCCCCCCCOCCCF 7a_100000210232_100011934791 [0,1,0,0,0,0|1,0,1]=3 4772 B12R0.5 CCCCCCCCOCCCN 34a_100000182051_100000210759 [0,1,0,0,0,0|1,0,1]=3 4773 B12R0.5 CCCCCCCCOCCCO 34a_100000210232_100000230001 [0,1,0,0,0,0|0,0,2]=3 4774 B12R0.5 CCCCCCCCOCCCO 7a_100000210232_100011215043 [0,1,0,0,0,0|0,0,2]=3 4775 B12R0.5 CCCCCCCCOCCOC 34a_100000210232_100011201679 [0,1,0,0,0,0|2,0,0]=3 4776 B12R0.5 CCCCCCCCOCCOC 34a_100000210237_100000210759 [0,1,0,0,0,0|2,0,0]=3 4777 B12R0.5 CCCCCCCCOCCOC 7a_100000210232_100000233755 [0,1,0,0,0,0|2,0,0]=3 4778 B12R0.5 CCCCCCCCOCCON 34a_100000700252_100000210759 [0,1,0,0,0,0|2,0,0]=3 4779 B12R0.5 CCCCCCCCOCCSC 34a_100000210232_100000212216 [0,1,0,0,0,0|2,0,0]=3 4780 B12R0.5 CCCCCCCCOCCSC 34a_100000230434_100000210759 [0,1,0,0,0,0|2,0,0]=3 4781 B12R0.5 CCCCCCCCOCCSC 7a_100000210232_100000212216 [0,1,0,0,0,0|2,0,0]=3 4782 B12R0.5 CCCCCCCCOCCSC 7a_100000230434_100000210759 [0,1,0,0,0,0|2,0,0]=3 4783 B12R0.5 CCCCCCCCSCCC#N 62a_100000210759_100011215226 [0,1,0,0,0,0|1,0,1]=3 4784 B12R0.5 CCCCCCCCSCCC#N 62a_100011215226_100000210317 [0,1,0,0,0,0|1,0,1]=3 4785 B12R0.5 CCCCCCCCSCCCC 62a_100000210211_100000210317 [0,1,0,0,0,0|1,0,1]=3 4786 B12R0.5 CCCCCCCCSCCCC 62a_100000210759_100000210210 [0,1,0,0,0,0|1,0,1]=3 4787 B12R0.5 CCCCCCCCSCCCF 62a_100000210759_100011934791 [0,1,0,0,0,0|1,0,1]=3 4788 B12R0.5 CCCCCCCCSCCCF 62a_100011934791_100000210317 [0,1,0,0,0,0|1,0,1]=3 4789 B12R0.5 CCCCCCCCSCCCO 62a_100000210759_100011215043 [0,1,0,0,0,0|0,0,2]=3 4790 B12R0.5 CCCCCCCCSCCCO 62a_100011215043_100000210317 [0,1,0,0,0,0|0,0,2]=3 4791 B12R0.5 CCCCCCCCSCCOC 62a_100000210759_100000233755 [0,1,0,0,0,0|2,0,0]=3 4792 B12R0.5 CCCCCCCCSCCOC 62a_100000233755_100000210317 [0,1,0,0,0,0|2,0,0]=3 4793 B12R0.5 CCCCCCCCSCCSC 62a_100000210759_100000751147 [0,1,0,0,0,0|2,0,0]=3 4794 B12R0.5 CCCCCCCCSCCSC 62a_100000212216_100000210317 [0,1,0,0,0,0|2,0,0]=3 4795 B12R0.5 CCCCCCCCSCOCC 62a_100000210759_100000739092 [0,1,0,0,0,0|2,0,1]=4 4796 B12R0.5 CCCCCCCCSCOCC 62a_100000739092_100000210317 [0,1,0,0,0,0|2,0,1]=4 4797 B12R0.5 CCCCCCCCSCSC#N 62a_100000210759_100000211825 [0,1,0,0,0,0|2,0,1]=4 4798 B12R0.5 CCCCCCCCSCSC#N 62a_100000211825_100000210317 [0,1,0,0,0,0|2,0,1]=4 4799 B12R0.5 CCCCCCCNCCCC#N 2230a_100000229938_100000687738 [0,1,0,0,0,0|1,0,1]=3 4800 B12R0.5 CCCCCCCNCCCC=O 2230a_100000229938_200011292268 [0,1,0,0,0,0|0,0,0]=1 4801 B12R0.5 CCCCCCCNCCCCC 2230a_100000209983_100000210681 [0,1,0,0,0,0|1,0,1]=3 4802 B12R0.5 CCCCCCCNCCCCC 2230a_100000229938_100000210326 [0,1,0,0,0,0|1,0,1]=3 4803 B12R0.5 CCCCCCCNCCCCF 2230a_100000229938_100000729493 [0,1,0,0,0,0|1,0,1]=3 4804 B12R0.5 CCCCCCCNCCCCO 2230a_100000229938_100000210776 [0,1,0,0,0,0|0,0,2]=3 4805 B12R0.5 CCCCCCCNCCCCO 2230a_100000750430_100000210681 [0,1,0,0,0,0|0,0,2]=3 4806 B12R0.5 CCCCCCCNCCCCO 34a_100000750430_100000210614 [0,1,0,0,0,0|0,0,2]=3 4807 B12R0.5 CCCCCCCNCCCOC 2230a_100000229938_100000740836 [0,1,0,0,0,0|2,0,0]=3 4808 B12R0.5 CCCCCCCNCCCOC 34a_100150723488_100000210614 [0,1,0,0,0,0|2,0,0]=3 4809 B12R0.5 CCCCCCCNCCCSC 2230a_100000749238_100000210681 [0,1,0,0,0,0|2,0,0]=3 4810 B12R0.5 CCCCCCCNCCOCC 2230a_100000229938_100011215890 [0,1,0,0,0,0|2,0,1]=4 4811 B12R0.5 CCCCCCCNCCOCC 2230a_102516460346_100000210681 [0,1,0,0,0,0|2,0,1]=4 4812 B12R0.5 CCCCCCCNCCOCC 34a_102516460346_100000210614 [0,1,0,0,0,0|2,0,1]=4 4813 B12R0.5 CCCCCCCNCCSCC 2230a_100000106463_100000210681 [0,1,0,0,0,0|2,0,1]=4 4814 B12R0.5 CCCCCCCNCCSCC 2230a_100000229938_100000757381 [0,1,0,0,0,0|2,0,1]=4 4815 B12R0.5 CCCCCCCOCCCC#N 7a_100000210272_100000687738 [0,1,0,0,0,0|1,0,1]=3 4816 B12R0.5 CCCCCCCOCCCC=O 7a_100000210272_200011292268 [0,1,0,0,0,0|0,0,0]=1 4817 B12R0.5 CCCCCCCOCCCCBr 34a_100011216708_100000210614 [0,1,0,0,0,0|1,0,1]=3 4818 B12R0.5 CCCCCCCOCCCCC 34a_100000210253_100000210614 [0,1,0,0,0,0|1,0,1]=3 4819 B12R0.5 CCCCCCCOCCCCC 34a_100000210272_100000718602 [0,1,0,0,0,0|1,0,1]=3 4820 B12R0.5 CCCCCCCOCCCCC 7a_100000210253_100000210614 [0,1,0,0,0,0|1,0,1]=3 4821 B12R0.5 CCCCCCCOCCCCC 7a_100000210272_100000210326 [0,1,0,0,0,0|1,0,1]=3 4822 B12R0.5 CCCCCCCOCCCCCl 34a_100000210776_100000210614 [0,1,0,0,0,0|1,0,1]=3 4823 B12R0.5 CCCCCCCOCCCCCl 7a_100000210776_100000210614 [0,1,0,0,0,0|1,0,1]=3 4824 B12R0.5 CCCCCCCOCCCCF 34a_100000210272_100000729493 [0,1,0,0,0,0|1,0,1]=3 4825 B12R0.5 CCCCCCCOCCCCF 34a_100011995726_100000210614 [0,1,0,0,0,0|1,0,1]=3 4826 B12R0.5 CCCCCCCOCCCCF 7a_100000210272_100000729493 [0,1,0,0,0,0|1,0,1]=3 4827 B12R0.5 CCCCCCCOCCCCF 7a_100011995726_100000210614 [0,1,0,0,0,0|1,0,1]=3 4828 B12R0.5 CCCCCCCOCCCCI 34a_200012148704_100000210614 [0,1,0,0,0,0|1,0,1]=3 4829 B12R0.5 CCCCCCCOCCCCN 34a_100000750430_100000210614 [0,1,0,0,0,0|1,0,1]=3 4830 B12R0.5 CCCCCCCOCCCCO 34a_100000210272_100011216708 [0,1,0,0,0,0|0,0,2]=3 4831 B12R0.5 CCCCCCCOCCCCO 7a_100000210272_100000210776 [0,1,0,0,0,0|0,0,2]=3 4832 B12R0.5 CCCCCCCOCCCNC 34a_100000213112_100000210614 [0,1,0,0,0,0|2,0,0]=3 4833 B12R0.5 CCCCCCCOCCCOC 34a_100000210272_100000740836 [0,1,0,0,0,0|2,0,0]=3 4834 B12R0.5 CCCCCCCOCCCOC 34a_100000740835_100000210614 [0,1,0,0,0,0|2,0,0]=3 4835 B12R0.5 CCCCCCCOCCCOC 7a_100000210272_100000740836 [0,1,0,0,0,0|2,0,0]=3 4836 B12R0.5 CCCCCCCOCCCSC 34a_100000690336_100000210614 [0,1,0,0,0,0|2,0,0]=3 4837 B12R0.5 CCCCCCCOCCCSC 7a_100000690336_100000210614 [0,1,0,0,0,0|2,0,0]=3 4838 B12R0.5 CCCCCCCOCCOCC 34a_100000210136_100000210614 [0,1,0,0,0,0|2,0,1]=4 4839 B12R0.5 CCCCCCCOCCOCC 34a_100000210272_100000210147 [0,1,0,0,0,0|2,0,1]=4 4840 B12R0.5 CCCCCCCOCCOCC 7a_100000210136_100000210614 [0,1,0,0,0,0|2,0,1]=4 4841 B12R0.5 CCCCCCCOCCOCC 7a_100000210272_100011215890 [0,1,0,0,0,0|2,0,1]=4 4842 B12R0.5 CCCCCCCOCCSCC 34a_100000210272_100000757381 [0,1,0,0,0,0|2,0,1]=4 4843 B12R0.5 CCCCCCCOCCSCC 34a_100000212035_100000210614 [0,1,0,0,0,0|2,0,1]=4 4844 B12R0.5 CCCCCCCOCCSCC 7a_100000210272_100000757381 [0,1,0,0,0,0|2,0,1]=4 4845 B12R0.5 CCCCCCCOCCSCC 7a_100000212035_100000210614 [0,1,0,0,0,0|2,0,1]=4 4846 B12R0.5 CCCCCCCSCCCC#N 62a_100000210614_100000687738 [0,1,0,0,0,0|1,0,1]=3 4847 B12R0.5 CCCCCCCSCCCC#N 62a_100000687738_100000210316 [0,1,0,0,0,0|1,0,1]=3 4848 B12R0.5 CCCCCCCSCCCC=O 62a_100000210614_200011292268 [0,1,0,0,0,0|0,0,0]=1 4849 B12R0.5 CCCCCCCSCCCC=O 62a_200011292268_100000210316 [0,1,0,0,0,0|0,0,0]=1 4850 B12R0.5 CCCCCCCSCCCCC 62a_100000210326_100000210316 [0,1,0,0,0,0|1,0,1]=3 4851 B12R0.5 CCCCCCCSCCCCC 62a_100000210614_100000210326 [0,1,0,0,0,0|1,0,1]=3 4852 B12R0.5 CCCCCCCSCCCCF 62a_100000210614_100000729493 [0,1,0,0,0,0|1,0,1]=3 4853 B12R0.5 CCCCCCCSCCCCF 62a_100000729493_100000210316 [0,1,0,0,0,0|1,0,1]=3 4854 B12R0.5 CCCCCCCSCCCCO 62a_100000210614_100000210776 [0,1,0,0,0,0|0,0,2]=3 4855 B12R0.5 CCCCCCCSCCCCO 62a_100000210776_100000210316 [0,1,0,0,0,0|0,0,2]=3 4856 B12R0.5 CCCCCCCSCCCOC 62a_100000210614_100000709357 [0,1,0,0,0,0|2,0,0]=3 4857 B12R0.5 CCCCCCCSCCCOC 62a_100000709357_100000210316 [0,1,0,0,0,0|2,0,0]=3 4858 B12R0.5 CCCCCCCSCCOCC 62a_100000210147_100000210316 [0,1,0,0,0,0|2,0,1]=4 4859 B12R0.5 CCCCCCCSCCOCC 62a_100000210614_100011215890 [0,1,0,0,0,0|2,0,1]=4 4860 B12R0.5 CCCCCCCSCCSC#N 62a_100000034367_100000210316 [0,1,0,0,0,0|2,0,1]=4 4861 B12R0.5 CCCCCCCSCCSC#N 62a_100000210614_100000034367 [0,1,0,0,0,0|2,0,1]=4 4862 B12R0.5 CCCCCCCSCCSCC 62a_100000210614_100000757381 [0,1,0,0,0,0|2,0,1]=4 4863 B12R0.5 CCCCCCCSCCSCC 62a_100000757381_100000210316 [0,1,0,0,0,0|2,0,1]=4 4864 B12R0.5 CCCCCCNCCCCC#N 2230a_100000210581_100000211819 [0,1,0,0,0,0|1,0,1]=3 4865 B12R0.5 CCCCCCNCCCCC=O 2230a_100000210581_100000139335 [0,1,0,0,0,0|0,0,0]=1 4866 B12R0.5 CCCCCCNCCCCCC 2230a_100000210581_100000210314 [0,1,0,0,0,0|1,0,1]=3 4867 B12R0.5 CCCCCCNCCCCCF 2230a_100000210581_100000729378 [0,1,0,0,0,0|1,0,1]=3 4868 B12R0.5 CCCCCCNCCCCCO 2230a_100000210581_100000746330 [0,1,0,0,0,0|0,0,2]=3 4869 B12R0.5 CCCCCCNCCCCCO 2230a_100000762737_100000210314 [0,1,0,0,0,0|0,0,2]=3 4870 B12R0.5 CCCCCCNCCCCCO 34a_100000762737_100000210314 [0,1,0,0,0,0|0,0,2]=3 4871 B12R0.5 CCCCCCNCCCCOC 2230a_100000210581_100000730899 [0,1,0,0,0,0|2,0,0]=3 4872 B12R0.5 CCCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210314 [0,1,0,0,0,0|3,0,0]=4 4873 B12R0.5 CCCCCCNCCCOCC 2230a_100000210581_100012232248 [0,1,0,0,0,0|2,0,1]=4 4874 B12R0.5 CCCCCCNCCCOCC 2230a_100000210961_100000210314 [0,1,0,0,0,0|2,0,1]=4 4875 B12R0.5 CCCCCCNCCCOCC 34a_100000210961_100000210314 [0,1,0,0,0,0|2,0,1]=4 4876 B12R0.5 CCCCCCNCCOCC#N 2230a_100000210581_200000047693 [0,1,0,0,0,0|2,0,1]=4 4877 B12R0.5 CCCCCCNCCOCCC 2230a_100000210581_100011215938 [0,1,0,0,0,0|2,0,1]=4 4878 B12R0.5 CCCCCCNCCOCCC 2230a_100161115042_100000210314 [0,1,0,0,0,0|2,0,1]=4 4879 B12R0.5 CCCCCCNCCOCCC 34a_100161115042_100000210314 [0,1,0,0,0,0|2,0,1]=4 4880 B12R0.5 CCCCCCNCCOCCO 2230a_100000210581_100011215305 [0,1,0,0,0,0|1,0,2]=4 4881 B12R0.5 CCCCCCNCCOCCO 2230a_100000211614_100000210314 [0,1,0,0,0,0|1,0,2]=4 4882 B12R0.5 CCCCCCNCCOCCO 34a_100000211614_100000210314 [0,1,0,0,0,0|1,0,2]=4 4883 B12R0.5 CCCCCCNCCSCCC 2230a_100020603323_100000210314 [0,1,0,0,0,0|2,0,1]=4 4884 B12R0.5 CCCCCCNCCSCCO 2230a_100011219999_100000210314 [0,1,0,0,0,0|1,0,2]=4 4885 B12R0.5 CCCCCCNCOCCCC 2230a_100000210581_100011995733 [0,1,0,0,0,0|2,0,1]=4 4886 B12R0.5 CCCCCCNCOCCOC 2230a_100000210581_100000231047 [0,1,0,0,0,0|3,0,0]=4 4887 B12R0.5 CCCCCCOCCCCC#N 7a_100000210259_100000211819 [0,1,0,0,0,0|1,0,1]=3 4888 B12R0.5 CCCCCCOCCCCC=O 7a_100000210259_100000139335 [0,1,0,0,0,0|0,0,0]=1 4889 B12R0.5 CCCCCCOCCCCCBr 34a_100000746331_100000210314 [0,1,0,0,0,0|1,0,1]=3 4890 B12R0.5 CCCCCCOCCCCCBr 7a_100000746331_100000210314 [0,1,0,0,0,0|1,0,1]=3 4891 B12R0.5 CCCCCCOCCCCCC 34a_100000210259_100000210314 [0,1,0,0,0,0|1,0,1]=3 4892 B12R0.5 CCCCCCOCCCCCC 7a_100000210259_100000210314 [0,1,0,0,0,0|1,0,1]=3 4893 B12R0.5 CCCCCCOCCCCCCl 34a_100000746330_100000210314 [0,1,0,0,0,0|1,0,1]=3 4894 B12R0.5 CCCCCCOCCCCCCl 7a_100000746330_100000210314 [0,1,0,0,0,0|1,0,1]=3 4895 B12R0.5 CCCCCCOCCCCCF 34a_100000210259_100000729378 [0,1,0,0,0,0|1,0,1]=3 4896 B12R0.5 CCCCCCOCCCCCF 7a_100000210259_100000729378 [0,1,0,0,0,0|1,0,1]=3 4897 B12R0.5 CCCCCCOCCCCCI 34a_200012148887_100000210314 [0,1,0,0,0,0|1,0,1]=3 4898 B12R0.5 CCCCCCOCCCCCI 7a_200012148887_100000210314 [0,1,0,0,0,0|1,0,1]=3 4899 B12R0.5 CCCCCCOCCCCCN 34a_100000762737_100000210314 [0,1,0,0,0,0|1,0,1]=3 4900 B12R0.5 CCCCCCOCCCCCO 34a_100000210259_100000746330 [0,1,0,0,0,0|0,0,2]=3 4901 B12R0.5 CCCCCCOCCCCCO 7a_100000210259_100000746330 [0,1,0,0,0,0|0,0,2]=3 4902 B12R0.5 CCCCCCOCCCCOC 34a_100000210259_100000755781 [0,1,0,0,0,0|2,0,0]=3 4903 B12R0.5 CCCCCCOCCCCOC 34a_100000740925_100000210314 [0,1,0,0,0,0|2,0,0]=3 4904 B12R0.5 CCCCCCOCCCCOC 7a_100000210259_100000730899 [0,1,0,0,0,0|2,0,0]=3 4905 B12R0.5 CCCCCCOCCCCSC 34a_100011217163_100000210314 [0,1,0,0,0,0|2,0,0]=3 4906 B12R0.5 CCCCCCOCCCCSC 7a_100011217163_100000210314 [0,1,0,0,0,0|2,0,0]=3 4907 B12R0.5 CCCCCCOCCCOCC 34a_100000210259_100012232248 [0,1,0,0,0,0|2,0,1]=4 4908 B12R0.5 CCCCCCOCCCOCC 34a_100000757476_100000210314 [0,1,0,0,0,0|2,0,1]=4 4909 B12R0.5 CCCCCCOCCCOCC 7a_100000210259_100012232248 [0,1,0,0,0,0|2,0,1]=4 4910 B12R0.5 CCCCCCOCCCOCC 7a_100000757476_100000210314 [0,1,0,0,0,0|2,0,1]=4 4911 B12R0.5 CCCCCCOCCCSCC 34a_100011216438_100000210314 [0,1,0,0,0,0|2,0,1]=4 4912 B12R0.5 CCCCCCOCCCSCC 7a_100011216438_100000210314 [0,1,0,0,0,0|2,0,1]=4 4913 B12R0.5 CCCCCCOCCOCC#N 7a_100000210259_200000047693 [0,1,0,0,0,0|2,0,1]=4 4914 B12R0.5 CCCCCCOCCOCC#N 7a_100000691444_100011215382 [0,1,0,0,0,0|2,0,1]=4 4915 B12R0.5 CCCCCCOCCOCC=O 34a_100000691444_200009817547 [0,1,0,0,0,0|1,0,0]=2 4916 B12R0.5 CCCCCCOCCOCC=O 7a_100000691444_200015260668 [0,1,0,0,0,0|1,0,0]=2 4917 B12R0.5 CCCCCCOCCOCCBr 34a_100000692535_100000210314 [0,1,0,0,0,0|2,0,1]=4 4918 B12R0.5 CCCCCCOCCOCCBr 7a_100000692535_100000210314 [0,1,0,0,0,0|2,0,1]=4 4919 B12R0.5 CCCCCCOCCOCCC 34a_100000210259_100011215938 [0,1,0,0,0,0|2,0,1]=4 4920 B12R0.5 CCCCCCOCCOCCC 34a_100000691444_100000210303 [0,1,0,0,0,0|2,0,1]=4 4921 B12R0.5 CCCCCCOCCOCCC 34a_100000752267_100000210314 [0,1,0,0,0,0|2,0,1]=4 4922 B12R0.5 CCCCCCOCCOCCC 7a_100000210259_100011215938 [0,1,0,0,0,0|2,0,1]=4 4923 B12R0.5 CCCCCCOCCOCCC 7a_100000691444_100000210303 [0,1,0,0,0,0|2,0,1]=4 4924 B12R0.5 CCCCCCOCCOCCC 7a_100000752267_100000210314 [0,1,0,0,0,0|2,0,1]=4 4925 B12R0.5 CCCCCCOCCOCCCl 34a_100011215305_100000210314 [0,1,0,0,0,0|2,0,1]=4 4926 B12R0.5 CCCCCCOCCOCCCl 7a_100011215305_100000210314 [0,1,0,0,0,0|2,0,1]=4 4927 B12R0.5 CCCCCCOCCOCCF 34a_100000691444_100011217306 [0,1,0,0,0,0|2,0,1]=4 4928 B12R0.5 CCCCCCOCCOCCF 34a_200015357709_100000210314 [0,1,0,0,0,0|2,0,1]=4 4929 B12R0.5 CCCCCCOCCOCCF 7a_100000691444_100011217306 [0,1,0,0,0,0|2,0,1]=4 4930 B12R0.5 CCCCCCOCCOCCF 7a_200015357709_100000210314 [0,1,0,0,0,0|2,0,1]=4 4931 B12R0.5 CCCCCCOCCOCCI 34a_100012149058_100000210314 [0,1,0,0,0,0|2,0,1]=4 4932 B12R0.5 CCCCCCOCCOCCI 7a_100012149058_100000210314 [0,1,0,0,0,0|2,0,1]=4 4933 B12R0.5 CCCCCCOCCOCCN 34a_100000211614_100000210314 [0,1,0,0,0,0|2,0,1]=4 4934 B12R0.5 CCCCCCOCCOCCO 34a_100000210259_100000692535 [0,1,0,0,0,0|1,0,2]=4 4935 B12R0.5 CCCCCCOCCOCCO 34a_100000691444_100000211926 [0,1,0,0,0,0|1,0,2]=4 4936 B12R0.5 CCCCCCOCCOCCO 7a_100000210259_100011215305 [0,1,0,0,0,0|1,0,2]=4 4937 B12R0.5 CCCCCCOCCOCCO 7a_100000691444_100000211926 [0,1,0,0,0,0|1,0,2]=4 4938 B12R0.5 CCCCCCOCCOCSC 34a_100000691444_100011218213 [0,1,0,0,0,0|3,0,0]=4 4939 B12R0.5 CCCCCCOCCSCCC 34a_200000230433_100000210314 [0,1,0,0,0,0|2,0,1]=4 4940 B12R0.5 CCCCCCOCCSCCC 7a_200000230433_100000210314 [0,1,0,0,0,0|2,0,1]=4 4941 B12R0.5 CCCCCCOCOCCCC 34a_100000210259_100011995733 [0,1,0,0,0,0|2,0,1]=4 4942 B12R0.5 CCCCCCSCCCCC#N 62a_100000210314_100000211819 [0,1,0,0,0,0|1,0,1]=3 4943 B12R0.5 CCCCCCSCCCCC#N 62a_100011219923_100000210757 [0,1,0,0,0,0|1,0,1]=3 4944 B12R0.5 CCCCCCSCCCCC=O 62a_100000139335_100000210757 [0,1,0,0,0,0|0,0,0]=1 4945 B12R0.5 CCCCCCSCCCCC=O 62a_100000210314_100000139335 [0,1,0,0,0,0|0,0,0]=1 4946 B12R0.5 CCCCCCSCCCCCC 62a_100000210314_100000210757 [0,1,0,0,0,0|1,0,1]=3 4947 B12R0.5 CCCCCCSCCCCCF 62a_100000210314_100000729378 [0,1,0,0,0,0|1,0,1]=3 4948 B12R0.5 CCCCCCSCCCCCF 62a_100000729378_100000210757 [0,1,0,0,0,0|1,0,1]=3 4949 B12R0.5 CCCCCCSCCCCCO 62a_100000210314_100000746330 [0,1,0,0,0,0|0,0,2]=3 4950 B12R0.5 CCCCCCSCCCCCO 62a_100000746330_100000210757 [0,1,0,0,0,0|0,0,2]=3 4951 B12R0.5 CCCCCCSCCCCOC 62a_100000210314_100000730899 [0,1,0,0,0,0|2,0,0]=3 4952 B12R0.5 CCCCCCSCCCCOC 62a_100000730899_100000210757 [0,1,0,0,0,0|2,0,0]=3 4953 B12R0.5 CCCCCCSCCCOCC 62a_100000210314_100012232248 [0,1,0,0,0,0|2,0,1]=4 4954 B12R0.5 CCCCCCSCCCOCC 62a_100012232248_100000210757 [0,1,0,0,0,0|2,0,1]=4 4955 B12R0.5 CCCCCCSCCOCC#N 62a_100000210314_200000047693 [0,1,0,0,0,0|2,0,1]=4 4956 B12R0.5 CCCCCCSCCOCC#N 62a_200000047693_100000210757 [0,1,0,0,0,0|2,0,1]=4 4957 B12R0.5 CCCCCCSCCOCCC 62a_100000210314_100011215938 [0,1,0,0,0,0|2,0,1]=4 4958 B12R0.5 CCCCCCSCCOCCC 62a_100011215938_100000210757 [0,1,0,0,0,0|2,0,1]=4 4959 B12R0.5 CCCCCCSCCOCCO 62a_100000210314_100011215305 [0,1,0,0,0,0|1,0,2]=4 4960 B12R0.5 CCCCCCSCCOCCO 62a_100011215305_100000210757 [0,1,0,0,0,0|1,0,2]=4 4961 B12R0.5 CCCCCCSCOCCCC 62a_100000210314_100011995733 [0,1,0,0,0,0|2,0,1]=4 4962 B12R0.5 CCCCCCSCOCCCC 62a_100011995733_100000210757 [0,1,0,0,0,0|2,0,1]=4 4963 B12R0.5 CCCCCCSCOCCOC 62a_100000210314_100000231047 [0,1,0,0,0,0|3,0,0]=4 4964 B12R0.5 CCCCCCSCOCCOC 62a_100000231047_100000210757 [0,1,0,0,0,0|3,0,0]=4 4965 B12R0.5 CCCCCNCCCCCC#N 2230a_100000209983_100009813376 [0,1,0,0,0,0|1,0,1]=3 4966 B12R0.5 CCCCCNCCCCCC=O 2230a_100000209983_100000139337 [0,1,0,0,0,0|0,0,0]=1 4967 B12R0.5 CCCCCNCCCCCCF 2230a_100000209983_100015922095 [0,1,0,0,0,0|1,0,1]=3 4968 B12R0.5 CCCCCNCCCCCCO 2230a_100000209983_100000766143 [0,1,0,0,0,0|0,0,2]=3 4969 B12R0.5 CCCCCNCCCCCCO 2230a_100000686447_100000210326 [0,1,0,0,0,0|0,0,2]=3 4970 B12R0.5 CCCCCNCCCCCCO 34a_100000686447_100000718602 [0,1,0,0,0,0|0,0,2]=3 4971 B12R0.5 CCCCCNCCCCCOC 2230a_100000747528_100000210326 [0,1,0,0,0,0|2,0,0]=3 4972 B12R0.5 CCCCCNCCCCCOC 34a_100000747528_100000718602 [0,1,0,0,0,0|2,0,0]=3 4973 B12R0.5 CCCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210326 [0,1,0,0,0,0|3,0,0]=4 4974 B12R0.5 CCCCCNCCCOCCC 2230a_100011217757_100000210326 [0,1,0,0,0,0|2,0,1]=4 4975 B12R0.5 CCCCCNCCCOCCC 34a_100011217757_100000718602 [0,1,0,0,0,0|2,0,1]=4 4976 B12R0.5 CCCCCNCCOCCCC 2230a_100000209983_100000743108 [0,1,0,0,0,0|2,0,1]=4 4977 B12R0.5 CCCCCNCCOCCCC 34a_100000224656_100000210210 [0,1,0,0,0,0|2,0,1]=4 4978 B12R0.5 CCCCCNCCOCCCF 34a_100000224656_100011934791 [0,1,0,0,0,0|2,0,1]=4 4979 B12R0.5 CCCCCNCCOCCCO 34a_100000224656_100000230001 [0,1,0,0,0,0|1,0,2]=4 4980 B12R0.5 CCCCCNCCOCCOC 2230a_100000209983_100000695917 [0,1,0,0,0,0|3,0,0]=4 4981 B12R0.5 CCCCCNCCOCCOC 2230a_100000745349_100000210326 [0,1,0,0,0,0|3,0,0]=4 4982 B12R0.5 CCCCCNCCOCCOC 34a_100000224656_100011201679 [0,1,0,0,0,0|3,0,0]=4 4983 B12R0.5 CCCCCNCCOCCOC 34a_100000745349_100000718602 [0,1,0,0,0,0|3,0,0]=4 4984 B12R0.5 CCCCCNCCOCCSC 34a_100000224656_100000212216 [0,1,0,0,0,0|3,0,0]=4 4985 B12R0.5 CCCCCNCCSCCCC 2230a_100025743550_100000210326 [0,1,0,0,0,0|2,0,1]=4 4986 B12R0.5 CCCCCOCCCCCC#N 7a_100000210253_100009813376 [0,1,0,0,0,0|1,0,1]=3 4987 B12R0.5 CCCCCOCCCCCC=O 7a_100000210253_100000139337 [0,1,0,0,0,0|0,0,0]=1 4988 B12R0.5 CCCCCOCCCCCCBr 34a_100011215345_100000718602 [0,1,0,0,0,0|1,0,1]=3 4989 B12R0.5 CCCCCOCCCCCCBr 7a_100011215345_100000210326 [0,1,0,0,0,0|1,0,1]=3 4990 B12R0.5 CCCCCOCCCCCCCl 34a_100000766143_100000718602 [0,1,0,0,0,0|1,0,1]=3 4991 B12R0.5 CCCCCOCCCCCCCl 7a_100000766143_100000210326 [0,1,0,0,0,0|1,0,1]=3 4992 B12R0.5 CCCCCOCCCCCCF 34a_100000210253_100015922095 [0,1,0,0,0,0|1,0,1]=3 4993 B12R0.5 CCCCCOCCCCCCF 34a_100000732779_100000718602 [0,1,0,0,0,0|1,0,1]=3 4994 B12R0.5 CCCCCOCCCCCCF 7a_100000210253_100015922095 [0,1,0,0,0,0|1,0,1]=3 4995 B12R0.5 CCCCCOCCCCCCF 7a_100000732779_100000210326 [0,1,0,0,0,0|1,0,1]=3 4996 B12R0.5 CCCCCOCCCCCCN 34a_100000686447_100000718602 [0,1,0,0,0,0|1,0,1]=3 4997 B12R0.5 CCCCCOCCCCCCO 34a_100000210253_100000766143 [0,1,0,0,0,0|0,0,2]=3 4998 B12R0.5 CCCCCOCCCCCCO 7a_100000210253_100000766143 [0,1,0,0,0,0|0,0,2]=3 4999 B12R0.5 CCCCCOCCCCCNC 34a_100000722520_100000718602 [0,1,0,0,0,0|2,0,0]=3 5000 B12R0.5 CCCCCOCCOCCC#N 7a_100011215259_100000184422 [0,1,0,0,0,0|2,0,1]=4 5001 B12R0.5 CCCCCOCCOCCCC 34a_100000210238_100000718602 [0,1,0,0,0,0|2,0,1]=4 5002 B12R0.5 CCCCCOCCOCCCC 34a_100000210253_100000743108 [0,1,0,0,0,0|2,0,1]=4 5003 B12R0.5 CCCCCOCCOCCCC 34a_100011215259_100000210210 [0,1,0,0,0,0|2,0,1]=4 5004 B12R0.5 CCCCCOCCOCCCC 7a_100000210238_100000210326 [0,1,0,0,0,0|2,0,1]=4 5005 B12R0.5 CCCCCOCCOCCCC 7a_100000210253_100000743108 [0,1,0,0,0,0|2,0,1]=4 5006 B12R0.5 CCCCCOCCOCCCC 7a_100011215259_100000210211 [0,1,0,0,0,0|2,0,1]=4 5007 B12R0.5 CCCCCOCCOCCCF 34a_100011215259_100011934791 [0,1,0,0,0,0|2,0,1]=4 5008 B12R0.5 CCCCCOCCOCCCF 7a_100011215259_100011934791 [0,1,0,0,0,0|2,0,1]=4 5009 B12R0.5 CCCCCOCCOCCCO 34a_100011215259_100000230001 [0,1,0,0,0,0|1,0,2]=4 5010 B12R0.5 CCCCCOCCOCCCO 7a_100011215259_100011215043 [0,1,0,0,0,0|1,0,2]=4 5011 B12R0.5 CCCCCOCCOCCNC 34a_100000228057_100000718602 [0,1,0,0,0,0|3,0,0]=4 5012 B12R0.5 CCCCCOCCOCCOC 34a_100000210253_100000695917 [0,1,0,0,0,0|3,0,0]=4 5013 B12R0.5 CCCCCOCCOCCOC 34a_100011215163_100000718602 [0,1,0,0,0,0|3,0,0]=4 5014 B12R0.5 CCCCCOCCOCCOC 34a_100011215259_100011201679 [0,1,0,0,0,0|3,0,0]=4 5015 B12R0.5 CCCCCOCCOCCOC 7a_100000210253_100000695917 [0,1,0,0,0,0|3,0,0]=4 5016 B12R0.5 CCCCCOCCOCCOC 7a_100011215163_100000210326 [0,1,0,0,0,0|3,0,0]=4 5017 B12R0.5 CCCCCOCCOCCOC 7a_100011215259_100000233755 [0,1,0,0,0,0|3,0,0]=4 5018 B12R0.5 CCCCCOCCOCCSC 34a_100011215259_100000212216 [0,1,0,0,0,0|3,0,0]=4 5019 B12R0.5 CCCCCOCCOCCSC 7a_100011215259_100000212216 [0,1,0,0,0,0|3,0,0]=4 5020 B12R0.5 CCCCCOCCSCCCC 34a_200000230436_100000718602 [0,1,0,0,0,0|2,0,1]=4 5021 B12R0.5 CCCCCOCCSCCCC 7a_200000230436_100000210326 [0,1,0,0,0,0|2,0,1]=4 5022 B12R0.5 CCCCCSCCCCCC#N 62a_100000210326_100009813376 [0,1,0,0,0,0|1,0,1]=3 5023 B12R0.5 CCCCCSCCCCCC#N 62a_100009813376_100000210326 [0,1,0,0,0,0|1,0,1]=3 5024 B12R0.5 CCCCCSCCCCCC=O 62a_100000139337_100000210326 [0,1,0,0,0,0|0,0,0]=1 5025 B12R0.5 CCCCCSCCCCCC=O 62a_100000210326_100000139337 [0,1,0,0,0,0|0,0,0]=1 5026 B12R0.5 CCCCCSCCCCCCF 62a_100000210326_100015922095 [0,1,0,0,0,0|1,0,1]=3 5027 B12R0.5 CCCCCSCCCCCCF 62a_100015922095_100000210326 [0,1,0,0,0,0|1,0,1]=3 5028 B12R0.5 CCCCCSCCCCCCO 62a_100000210326_100000766143 [0,1,0,0,0,0|0,0,2]=3 5029 B12R0.5 CCCCCSCCCCCCO 62a_100000766143_100000210326 [0,1,0,0,0,0|0,0,2]=3 5030 B12R0.5 CCCCCSCCOCCCC 62a_100000210326_100000743108 [0,1,0,0,0,0|2,0,1]=4 5031 B12R0.5 CCCCCSCCOCCCC 62a_100000743108_100000210326 [0,1,0,0,0,0|2,0,1]=4 5032 B12R0.5 CCCCCSCCOCCOC 62a_100000210326_100000695917 [0,1,0,0,0,0|3,0,0]=4 5033 B12R0.5 CCCCCSCCOCCOC 62a_100000695917_100000210326 [0,1,0,0,0,0|3,0,0]=4 5034 B12R0.5 CCCCNCCCCCCC#N 2230a_100000102301_100009813337 [0,1,0,0,0,0|1,0,1]=3 5035 B12R0.5 CCCCNCCCCCCC#N 7a_106832991798_100009813337 [0,1,0,0,0,0|1,0,1]=3 5036 B12R0.5 CCCCNCCCCCCCO 2230a_100000102301_100000760002 [0,1,0,0,0,0|0,0,2]=3 5037 B12R0.5 CCCCNCCCCCCCO 2230a_100011996573_100000210211 [0,1,0,0,0,0|0,0,2]=3 5038 B12R0.5 CCCCNCCCCCCCO 34a_100011996573_100000210210 [0,1,0,0,0,0|0,0,2]=3 5039 B12R0.5 CCCCNCCCCCCCO 7a_106832991798_100000760002 [0,1,0,0,0,0|0,0,2]=3 5040 B12R0.5 CCCCNCCCCCCOC 2230a_100000102301_100011998445 [0,1,0,0,0,0|2,0,0]=3 5041 B12R0.5 CCCCNCCCCCCOC 7a_106832991798_100011998445 [0,1,0,0,0,0|2,0,0]=3 5042 B12R0.5 CCCCNCCCCOCC=O 34a_200011216965_200009817547 [0,1,0,0,0,0|1,0,0]=2 5043 B12R0.5 CCCCNCCCCOCCC 34a_200011216965_100000210303 [0,1,0,0,0,0|2,0,1]=4 5044 B12R0.5 CCCCNCCCCOCCF 34a_200011216965_100011217306 [0,1,0,0,0,0|2,0,1]=4 5045 B12R0.5 CCCCNCCCCOCCO 34a_200011216965_100000211926 [0,1,0,0,0,0|1,0,2]=4 5046 B12R0.5 CCCCNCCCCOCSC 34a_200011216965_100011218213 [0,1,0,0,0,0|3,0,0]=4 5047 B12R0.5 CCCCNCCCOCCCC 2230a_200000211371_100000210211 [0,1,0,0,0,0|2,0,1]=4 5048 B12R0.5 CCCCNCCCOCCCC 34a_200000211371_100000210210 [0,1,0,0,0,0|2,0,1]=4 5049 B12R0.5 CCCCNCCCOCCCO 2230a_100011310245_100000210211 [0,1,0,0,0,0|1,0,2]=4 5050 B12R0.5 CCCCNCCCOCCCO 34a_100011310245_100000210210 [0,1,0,0,0,0|1,0,2]=4 5051 B12R0.5 CCCCNCCCOCCOC 2230a_100000102301_100011216529 [0,1,0,0,0,0|3,0,0]=4 5052 B12R0.5 CCCCNCCCOCCOC 2230a_100000206027_100000210211 [0,1,0,0,0,0|3,0,0]=4 5053 B12R0.5 CCCCNCCCOCCOC 34a_100000206027_100000210210 [0,1,0,0,0,0|3,0,0]=4 5054 B12R0.5 CCCCNCCCOCCOC 7a_106832991798_100011216529 [0,1,0,0,0,0|3,0,0]=4 5055 B12R0.5 CCCCOCCCCCCC#N 7a_100000210227_100009813337 [0,1,0,0,0,0|1,0,1]=3 5056 B12R0.5 CCCCOCCCCCCCBr 34a_100000760002_100000210210 [0,1,0,0,0,0|1,0,1]=3 5057 B12R0.5 CCCCOCCCCCCCBr 7a_100000760002_100000210211 [0,1,0,0,0,0|1,0,1]=3 5058 B12R0.5 CCCCOCCCCCCCN 34a_100011996573_100000210210 [0,1,0,0,0,0|1,0,1]=3 5059 B12R0.5 CCCCOCCCCCCCO 34a_100000210227_100000760002 [0,1,0,0,0,0|0,0,2]=3 5060 B12R0.5 CCCCOCCCCCCCO 7a_100000210227_100000760002 [0,1,0,0,0,0|0,0,2]=3 5061 B12R0.5 CCCCOCCCCCCOC 34a_100000210227_100011998445 [0,1,0,0,0,0|2,0,0]=3 5062 B12R0.5 CCCCOCCCCCCOC 34a_200012092642_100000210210 [0,1,0,0,0,0|2,0,0]=3 5063 B12R0.5 CCCCOCCCCCCOC 7a_100000210227_100011998445 [0,1,0,0,0,0|2,0,0]=3 5064 B12R0.5 CCCCOCCCCCCOC 7a_200012092642_100000210211 [0,1,0,0,0,0|2,0,0]=3 5065 B12R0.5 CCCCOCCCCOCC#N 7a_200000760531_100011215382 [0,1,0,0,0,0|2,0,1]=4 5066 B12R0.5 CCCCOCCCCOCC=O 34a_200000760531_200009817547 [0,1,0,0,0,0|1,0,0]=2 5067 B12R0.5 CCCCOCCCCOCC=O 7a_200000760531_200015260668 [0,1,0,0,0,0|1,0,0]=2 5068 B12R0.5 CCCCOCCCCOCCC 34a_200000760531_100000210303 [0,1,0,0,0,0|2,0,1]=4 5069 B12R0.5 CCCCOCCCCOCCC 7a_200000760531_100000210303 [0,1,0,0,0,0|2,0,1]=4 5070 B12R0.5 CCCCOCCCCOCCF 34a_200000760531_100011217306 [0,1,0,0,0,0|2,0,1]=4 5071 B12R0.5 CCCCOCCCCOCCF 7a_200000760531_100011217306 [0,1,0,0,0,0|2,0,1]=4 5072 B12R0.5 CCCCOCCCCOCCO 34a_200000760531_100000211926 [0,1,0,0,0,0|1,0,2]=4 5073 B12R0.5 CCCCOCCCCOCCO 7a_200000760531_100000211926 [0,1,0,0,0,0|1,0,2]=4 5074 B12R0.5 CCCCOCCCCOCSC 34a_200000760531_100011218213 [0,1,0,0,0,0|3,0,0]=4 5075 B12R0.5 CCCCOCCCNCCC#N 2230a_200000211371_100011215226 [0,1,0,0,0,0|2,0,1]=4 5076 B12R0.5 CCCCOCCCNCCCF 2230a_200000211371_100011934791 [0,1,0,0,0,0|2,0,1]=4 5077 B12R0.5 CCCCOCCCNCCCF 34a_200000211371_100011934791 [0,1,0,0,0,0|2,0,1]=4 5078 B12R0.5 CCCCOCCCNCCCO 2230a_200000211371_100000230001 [0,1,0,0,0,0|1,0,2]=4 5079 B12R0.5 CCCCOCCCNCCCO 34a_200000211371_100000230001 [0,1,0,0,0,0|1,0,2]=4 5080 B12R0.5 CCCCOCCCNCCOC 2230a_200000211371_100011201679 [0,1,0,0,0,0|3,0,0]=4 5081 B12R0.5 CCCCOCCCNCCOC 34a_200000211371_100011201679 [0,1,0,0,0,0|3,0,0]=4 5082 B12R0.5 CCCCOCCCNCCSC 2230a_200000211371_100000751147 [0,1,0,0,0,0|3,0,0]=4 5083 B12R0.5 CCCCOCCCNCCSC 34a_200000211371_100000212216 [0,1,0,0,0,0|3,0,0]=4 5084 B12R0.5 CCCCOCCCOCCC#N 7a_200011215613_100000184422 [0,1,0,0,0,0|2,0,1]=4 5085 B12R0.5 CCCCOCCCOCCCC 34a_200011215613_100000210210 [0,1,0,0,0,0|2,0,1]=4 5086 B12R0.5 CCCCOCCCOCCCC 7a_200011215613_100000210211 [0,1,0,0,0,0|2,0,1]=4 5087 B12R0.5 CCCCOCCCOCCCF 34a_200011215613_100011934791 [0,1,0,0,0,0|2,0,1]=4 5088 B12R0.5 CCCCOCCCOCCCF 7a_200011215613_100011934791 [0,1,0,0,0,0|2,0,1]=4 5089 B12R0.5 CCCCOCCCOCCCN 34a_100011310245_100000210210 [0,1,0,0,0,0|2,0,1]=4 5090 B12R0.5 CCCCOCCCOCCCO 34a_200011215613_100000230001 [0,1,0,0,0,0|1,0,2]=4 5091 B12R0.5 CCCCOCCCOCCCO 7a_200011215613_100011215043 [0,1,0,0,0,0|1,0,2]=4 5092 B12R0.5 CCCCOCCCOCCOC 34a_100000210227_100011216529 [0,1,0,0,0,0|3,0,0]=4 5093 B12R0.5 CCCCOCCCOCCOC 34a_200011215613_100011201679 [0,1,0,0,0,0|3,0,0]=4 5094 B12R0.5 CCCCOCCCOCCOC 7a_100000210227_100011216529 [0,1,0,0,0,0|3,0,0]=4 5095 B12R0.5 CCCCOCCCOCCOC 7a_200011215613_100000233755 [0,1,0,0,0,0|3,0,0]=4 5096 B12R0.5 CCCCOCCCOCCSC 34a_200011215613_100000212216 [0,1,0,0,0,0|3,0,0]=4 5097 B12R0.5 CCCCOCCCOCCSC 7a_200011215613_100000212216 [0,1,0,0,0,0|3,0,0]=4 5098 B12R0.5 CCCCOCCNCCCCO 2230a_100000750430_100000743108 [0,1,0,0,0,0|1,0,2]=4 5099 B12R0.5 CCCCOCCNCCCCO 34a_100000750430_100000743108 [0,1,0,0,0,0|1,0,2]=4 5100 B12R0.5 CCCCOCCNCCCOC 34a_100150723488_100000743108 [0,1,0,0,0,0|3,0,0]=4 5101 B12R0.5 CCCCOCCNCCCSC 2230a_100000749238_100000743108 [0,1,0,0,0,0|3,0,0]=4 5102 B12R0.5 CCCCOCCOCCCC#N 7a_100000210238_100000687738 [0,1,0,0,0,0|2,0,1]=4 5103 B12R0.5 CCCCOCCOCCCC=O 7a_100000210238_200011292268 [0,1,0,0,0,0|1,0,0]=2 5104 B12R0.5 CCCCOCCOCCCCBr 34a_100011216708_100000743108 [0,1,0,0,0,0|2,0,1]=4 5105 B12R0.5 CCCCOCCOCCCCCl 34a_100000210776_100000743108 [0,1,0,0,0,0|2,0,1]=4 5106 B12R0.5 CCCCOCCOCCCCCl 7a_100000210776_100000743108 [0,1,0,0,0,0|2,0,1]=4 5107 B12R0.5 CCCCOCCOCCCCF 34a_100000210238_100000729493 [0,1,0,0,0,0|2,0,1]=4 5108 B12R0.5 CCCCOCCOCCCCF 34a_100011995726_100000743108 [0,1,0,0,0,0|2,0,1]=4 5109 B12R0.5 CCCCOCCOCCCCF 7a_100000210238_100000729493 [0,1,0,0,0,0|2,0,1]=4 5110 B12R0.5 CCCCOCCOCCCCF 7a_100011995726_100000743108 [0,1,0,0,0,0|2,0,1]=4 5111 B12R0.5 CCCCOCCOCCCCI 34a_200012148704_100000743108 [0,1,0,0,0,0|2,0,1]=4 5112 B12R0.5 CCCCOCCOCCCCN 34a_100000750430_100000743108 [0,1,0,0,0,0|2,0,1]=4 5113 B12R0.5 CCCCOCCOCCCCO 34a_100000210238_100011216708 [0,1,0,0,0,0|1,0,2]=4 5114 B12R0.5 CCCCOCCOCCCCO 7a_100000210238_100000210776 [0,1,0,0,0,0|1,0,2]=4 5115 B12R0.5 CCCCOCCOCCCNC 34a_100000213112_100000743108 [0,1,0,0,0,0|3,0,0]=4 5116 B12R0.5 CCCCOCCOCCCOC 34a_100000210238_100000740836 [0,1,0,0,0,0|3,0,0]=4 5117 B12R0.5 CCCCOCCOCCCOC 34a_100000740835_100000743108 [0,1,0,0,0,0|3,0,0]=4 5118 B12R0.5 CCCCOCCOCCCOC 7a_100000210238_100000740836 [0,1,0,0,0,0|3,0,0]=4 5119 B12R0.5 CCCCOCCOCCCSC 34a_100000690336_100000743108 [0,1,0,0,0,0|3,0,0]=4 5120 B12R0.5 CCCCOCCOCCCSC 7a_100000690336_100000743108 [0,1,0,0,0,0|3,0,0]=4 5121 B12R0.5 CCCCOCCSCCCC#N 62a_100000687738_100000743108 [0,1,0,0,0,0|2,0,1]=4 5122 B12R0.5 CCCCOCCSCCCC#N 62a_100000743108_100000687738 [0,1,0,0,0,0|2,0,1]=4 5123 B12R0.5 CCCCOCCSCCCC=O 62a_100000743108_200011292268 [0,1,0,0,0,0|1,0,0]=2 5124 B12R0.5 CCCCOCCSCCCC=O 62a_200011292268_100000743108 [0,1,0,0,0,0|1,0,0]=2 5125 B12R0.5 CCCCOCCSCCCCF 62a_100000729493_100000743108 [0,1,0,0,0,0|2,0,1]=4 5126 B12R0.5 CCCCOCCSCCCCF 62a_100000743108_100000729493 [0,1,0,0,0,0|2,0,1]=4 5127 B12R0.5 CCCCOCCSCCCCO 62a_100000210776_100000743108 [0,1,0,0,0,0|1,0,2]=4 5128 B12R0.5 CCCCOCCSCCCCO 62a_100000743108_100000210776 [0,1,0,0,0,0|1,0,2]=4 5129 B12R0.5 CCCCOCCSCCCOC 62a_100000709357_100000743108 [0,1,0,0,0,0|3,0,0]=4 5130 B12R0.5 CCCCOCCSCCCOC 62a_100000743108_100000709357 [0,1,0,0,0,0|3,0,0]=4 5131 B12R0.5 CCCCOCNCCCCCO 2230a_100000762737_100011995733 [0,1,0,0,0,0|1,0,2]=4 5132 B12R0.5 CCCCOCNCCCCCO 34a_100000762737_100011995733 [0,1,0,0,0,0|1,0,2]=4 5133 B12R0.5 CCCCOCOCCCCCBr 34a_100000746331_100011995733 [0,1,0,0,0,0|2,0,1]=4 5134 B12R0.5 CCCCOCOCCCCCCl 34a_100000746330_100011995733 [0,1,0,0,0,0|2,0,1]=4 5135 B12R0.5 CCCCOCOCCCCCI 34a_200012148887_100011995733 [0,1,0,0,0,0|2,0,1]=4 5136 B12R0.5 CCCCOCOCCCCCN 34a_100000762737_100011995733 [0,1,0,0,0,0|2,0,1]=4 5137 B12R0.5 CCCCOCOCCCCOC 34a_100000740925_100011995733 [0,1,0,0,0,0|3,0,0]=4 5138 B12R0.5 CCCCOCOCCCCSC 34a_100011217163_100011995733 [0,1,0,0,0,0|3,0,0]=4 5139 B12R0.5 CCCCOCSCCCCC#N 62a_100011219923_100011995733 [0,1,0,0,0,0|2,0,1]=4 5140 B12R0.5 CCCCOCSCCCCC#N 62a_100011995733_100000211819 [0,1,0,0,0,0|2,0,1]=4 5141 B12R0.5 CCCCOCSCCCCC=O 62a_100000139335_100011995733 [0,1,0,0,0,0|1,0,0]=2 5142 B12R0.5 CCCCOCSCCCCC=O 62a_100011995733_100000139335 [0,1,0,0,0,0|1,0,0]=2 5143 B12R0.5 CCCCOCSCCCCCF 62a_100000729378_100011995733 [0,1,0,0,0,0|2,0,1]=4 5144 B12R0.5 CCCCOCSCCCCCF 62a_100011995733_100000729378 [0,1,0,0,0,0|2,0,1]=4 5145 B12R0.5 CCCCOCSCCCCCO 62a_100000746330_100011995733 [0,1,0,0,0,0|1,0,2]=4 5146 B12R0.5 CCCCOCSCCCCCO 62a_100011995733_100000746330 [0,1,0,0,0,0|1,0,2]=4 5147 B12R0.5 CCCCOCSCCCCOC 62a_100000730899_100011995733 [0,1,0,0,0,0|3,0,0]=4 5148 B12R0.5 CCCCOCSCCCCOC 62a_100011995733_100000730899 [0,1,0,0,0,0|3,0,0]=4 5149 B12R0.5 CCCCSCCCCCCC#N 62a_100000210211_100009813337 [0,1,0,0,0,0|1,0,1]=3 5150 B12R0.5 CCCCSCCCCCCC#N 62a_100009813337_100000210210 [0,1,0,0,0,0|1,0,1]=3 5151 B12R0.5 CCCCSCCCCCCCO 62a_100000210211_100000760002 [0,1,0,0,0,0|0,0,2]=3 5152 B12R0.5 CCCCSCCCCCCCO 62a_100000760002_100000210210 [0,1,0,0,0,0|0,0,2]=3 5153 B12R0.5 CCCCSCCCCCCOC 62a_100000210211_100011998445 [0,1,0,0,0,0|2,0,0]=3 5154 B12R0.5 CCCCSCCCCCCOC 62a_100011998445_100000210210 [0,1,0,0,0,0|2,0,0]=3 5155 B12R0.5 CCCCSCCCOCCOC 62a_100000210211_100011216529 [0,1,0,0,0,0|3,0,0]=4 5156 B12R0.5 CCCCSCCCOCCOC 62a_100011216529_100000210210 [0,1,0,0,0,0|3,0,0]=4 5157 B12R0.5 CCCCSCCNCCCC#N 2230a_100025743550_100000687738 [0,1,0,0,0,0|2,0,1]=4 5158 B12R0.5 CCCCSCCNCCCC=O 2230a_100025743550_200011292268 [0,1,0,0,0,0|1,0,0]=2 5159 B12R0.5 CCCCSCCNCCCCF 2230a_100025743550_100000729493 [0,1,0,0,0,0|2,0,1]=4 5160 B12R0.5 CCCCSCCNCCCCO 2230a_100025743550_100000210776 [0,1,0,0,0,0|1,0,2]=4 5161 B12R0.5 CCCCSCCNCCCOC 2230a_100025743550_100000740836 [0,1,0,0,0,0|3,0,0]=4 5162 B12R0.5 CCCCSCCOCCCC#N 7a_200000230436_100000687738 [0,1,0,0,0,0|2,0,1]=4 5163 B12R0.5 CCCCSCCOCCCC=O 7a_200000230436_200011292268 [0,1,0,0,0,0|1,0,0]=2 5164 B12R0.5 CCCCSCCOCCCCF 34a_200000230436_100000729493 [0,1,0,0,0,0|2,0,1]=4 5165 B12R0.5 CCCCSCCOCCCCF 7a_200000230436_100000729493 [0,1,0,0,0,0|2,0,1]=4 5166 B12R0.5 CCCCSCCOCCCCO 34a_200000230436_100011216708 [0,1,0,0,0,0|1,0,2]=4 5167 B12R0.5 CCCCSCCOCCCCO 7a_200000230436_100000210776 [0,1,0,0,0,0|1,0,2]=4 5168 B12R0.5 CCCCSCCOCCCOC 34a_200000230436_100000740836 [0,1,0,0,0,0|3,0,0]=4 5169 B12R0.5 CCCCSCCOCCCOC 7a_200000230436_100000740836 [0,1,0,0,0,0|3,0,0]=4 5170 B12R0.5 CCCNCCCCCCCCO 2230a_102515433106_100000210303 [0,1,0,0,0,0|0,0,2]=3 5171 B12R0.5 CCCNCCCCCCCCO 34a_102515433106_100000210303 [0,1,0,0,0,0|0,0,2]=3 5172 B12R0.5 CCCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210303 [0,1,0,0,0,0|3,0,0]=4 5173 B12R0.5 CCCOCCCCCCCCBr 34a_100009813846_100000210303 [0,1,0,0,0,0|1,0,1]=3 5174 B12R0.5 CCCOCCCCCCCCBr 7a_100009813846_100000210303 [0,1,0,0,0,0|1,0,1]=3 5175 B12R0.5 CCCOCCCCCCCCCl 34a_100000033203_100000210303 [0,1,0,0,0,0|1,0,1]=3 5176 B12R0.5 CCCOCCCCCCCCCl 7a_100000033203_100000210303 [0,1,0,0,0,0|1,0,1]=3 5177 B12R0.5 CCCOCCCCCCCCN 34a_102515433106_100000210303 [0,1,0,0,0,0|1,0,1]=3 5178 B12R0.5 CCCOCCCCCCCCO 34a_100000210258_100000033203 [0,1,0,0,0,0|0,0,2]=3 5179 B12R0.5 CCCOCCCCCNCCN 34a_103619048469_100000210303 [0,1,0,0,0,0|2,0,1]=4 5180 B12R0.5 CCCOCCCNCCCC#N 2230a_100011217757_100000687738 [0,1,0,0,0,0|2,0,1]=4 5181 B12R0.5 CCCOCCCNCCCC=O 2230a_100011217757_200011292268 [0,1,0,0,0,0|1,0,0]=2 5182 B12R0.5 CCCOCCCNCCCCF 2230a_100011217757_100000729493 [0,1,0,0,0,0|2,0,1]=4 5183 B12R0.5 CCCOCCCNCCCCF 34a_100011217757_100000729493 [0,1,0,0,0,0|2,0,1]=4 5184 B12R0.5 CCCOCCCNCCCCO 2230a_100011217757_100000210776 [0,1,0,0,0,0|1,0,2]=4 5185 B12R0.5 CCCOCCCNCCCCO 34a_100011217757_100011216708 [0,1,0,0,0,0|1,0,2]=4 5186 B12R0.5 CCCOCCCNCCCOC 2230a_100011217757_100000740836 [0,1,0,0,0,0|3,0,0]=4 5187 B12R0.5 CCCOCCCNCCCOC 34a_100011217757_100000740836 [0,1,0,0,0,0|3,0,0]=4 5188 B12R0.5 CCCOCCCOCCCOC 34a_200011215475_100000210303 [0,1,0,0,0,0|3,0,0]=4 5189 B12R0.5 CCCOCCCOCCCOC 7a_200011215475_100000210303 [0,1,0,0,0,0|3,0,0]=4 5190 B12R0.5 CCCOCCNCCCCC#N 2230a_100161115042_100000211819 [0,1,0,0,0,0|2,0,1]=4 5191 B12R0.5 CCCOCCNCCCCC=O 2230a_100161115042_100000139335 [0,1,0,0,0,0|1,0,0]=2 5192 B12R0.5 CCCOCCNCCCCCF 2230a_100161115042_100000729378 [0,1,0,0,0,0|2,0,1]=4 5193 B12R0.5 CCCOCCNCCCCCF 34a_100161115042_100000729378 [0,1,0,0,0,0|2,0,1]=4 5194 B12R0.5 CCCOCCNCCCCCO 2230a_100000762737_100011215938 [0,1,0,0,0,0|1,0,2]=4 5195 B12R0.5 CCCOCCNCCCCCO 2230a_100161115042_100000746330 [0,1,0,0,0,0|1,0,2]=4 5196 B12R0.5 CCCOCCNCCCCCO 34a_100000762737_100011215938 [0,1,0,0,0,0|1,0,2]=4 5197 B12R0.5 CCCOCCNCCCCCO 34a_100161115042_100000746330 [0,1,0,0,0,0|1,0,2]=4 5198 B12R0.5 CCCOCCNCCCCOC 2230a_100161115042_100000730899 [0,1,0,0,0,0|3,0,0]=4 5199 B12R0.5 CCCOCCNCCCCOC 34a_100161115042_100000755781 [0,1,0,0,0,0|3,0,0]=4 5200 B12R0.5 CCCOCCOCCCCC#N 7a_100000752267_100000211819 [0,1,0,0,0,0|2,0,1]=4 5201 B12R0.5 CCCOCCOCCCCC=O 7a_100000752267_100000139335 [0,1,0,0,0,0|1,0,0]=2 5202 B12R0.5 CCCOCCOCCCCCBr 34a_100000746331_100011215938 [0,1,0,0,0,0|2,0,1]=4 5203 B12R0.5 CCCOCCOCCCCCBr 7a_100000746331_100011215938 [0,1,0,0,0,0|2,0,1]=4 5204 B12R0.5 CCCOCCOCCCCCCl 34a_100000746330_100011215938 [0,1,0,0,0,0|2,0,1]=4 5205 B12R0.5 CCCOCCOCCCCCCl 7a_100000746330_100011215938 [0,1,0,0,0,0|2,0,1]=4 5206 B12R0.5 CCCOCCOCCCCCF 34a_100000752267_100000729378 [0,1,0,0,0,0|2,0,1]=4 5207 B12R0.5 CCCOCCOCCCCCF 7a_100000752267_100000729378 [0,1,0,0,0,0|2,0,1]=4 5208 B12R0.5 CCCOCCOCCCCCI 34a_200012148887_100011215938 [0,1,0,0,0,0|2,0,1]=4 5209 B12R0.5 CCCOCCOCCCCCI 7a_200012148887_100011215938 [0,1,0,0,0,0|2,0,1]=4 5210 B12R0.5 CCCOCCOCCCCCN 34a_100000762737_100011215938 [0,1,0,0,0,0|2,0,1]=4 5211 B12R0.5 CCCOCCOCCCCCO 34a_100000752267_100000746330 [0,1,0,0,0,0|1,0,2]=4 5212 B12R0.5 CCCOCCOCCCCCO 7a_100000752267_100000746330 [0,1,0,0,0,0|1,0,2]=4 5213 B12R0.5 CCCOCCOCCCCOC 34a_100000740925_100011215938 [0,1,0,0,0,0|3,0,0]=4 5214 B12R0.5 CCCOCCOCCCCOC 34a_100000752267_100000755781 [0,1,0,0,0,0|3,0,0]=4 5215 B12R0.5 CCCOCCOCCCCOC 7a_100000752267_100000730899 [0,1,0,0,0,0|3,0,0]=4 5216 B12R0.5 CCCOCCOCCCCSC 34a_100011217163_100011215938 [0,1,0,0,0,0|3,0,0]=4 5217 B12R0.5 CCCOCCOCCCCSC 7a_100011217163_100011215938 [0,1,0,0,0,0|3,0,0]=4 5218 B12R0.5 CCCOCCOCCNCC=O 2230a_200011904461_200015260668 [0,1,0,0,0,0|2,0,0]=3 5219 B12R0.5 CCCOCCOCCNCC=O 34a_200011904461_200009817547 [0,1,0,0,0,0|2,0,0]=3 5220 B12R0.5 CCCOCCSCCCCC#N 62a_100011215938_100000211819 [0,1,0,0,0,0|2,0,1]=4 5221 B12R0.5 CCCOCCSCCCCC#N 62a_100011219923_100011215938 [0,1,0,0,0,0|2,0,1]=4 5222 B12R0.5 CCCOCCSCCCCC=O 62a_100000139335_100011215938 [0,1,0,0,0,0|1,0,0]=2 5223 B12R0.5 CCCOCCSCCCCC=O 62a_100011215938_100000139335 [0,1,0,0,0,0|1,0,0]=2 5224 B12R0.5 CCCOCCSCCCCCF 62a_100000729378_100011215938 [0,1,0,0,0,0|2,0,1]=4 5225 B12R0.5 CCCOCCSCCCCCF 62a_100011215938_100000729378 [0,1,0,0,0,0|2,0,1]=4 5226 B12R0.5 CCCOCCSCCCCCO 62a_100000746330_100011215938 [0,1,0,0,0,0|1,0,2]=4 5227 B12R0.5 CCCOCCSCCCCCO 62a_100011215938_100000746330 [0,1,0,0,0,0|1,0,2]=4 5228 B12R0.5 CCCOCCSCCCCOC 62a_100000730899_100011215938 [0,1,0,0,0,0|3,0,0]=4 5229 B12R0.5 CCCOCCSCCCCOC 62a_100011215938_100000730899 [0,1,0,0,0,0|3,0,0]=4 5230 B12R0.5 CCCSCCCCCCCCO 62a_100000033203_100000210303 [0,1,0,0,0,0|0,0,2]=3 5231 B12R0.5 CCCSCCCCCCCCO 62a_100000210303_100000033203 [0,1,0,0,0,0|0,0,2]=3 5232 B12R0.5 CCCSCCNCCCCC#N 2230a_100020603323_100000211819 [0,1,0,0,0,0|2,0,1]=4 5233 B12R0.5 CCCSCCNCCCCC=O 2230a_100020603323_100000139335 [0,1,0,0,0,0|1,0,0]=2 5234 B12R0.5 CCCSCCNCCCCCF 2230a_100020603323_100000729378 [0,1,0,0,0,0|2,0,1]=4 5235 B12R0.5 CCCSCCNCCCCCO 2230a_100020603323_100000746330 [0,1,0,0,0,0|1,0,2]=4 5236 B12R0.5 CCCSCCNCCCCOC 2230a_100020603323_100000730899 [0,1,0,0,0,0|3,0,0]=4 5237 B12R0.5 CCCSCCOCCCCC#N 7a_200000230433_100000211819 [0,1,0,0,0,0|2,0,1]=4 5238 B12R0.5 CCCSCCOCCCCC=O 7a_200000230433_100000139335 [0,1,0,0,0,0|1,0,0]=2 5239 B12R0.5 CCCSCCOCCCCCF 34a_200000230433_100000729378 [0,1,0,0,0,0|2,0,1]=4 5240 B12R0.5 CCCSCCOCCCCCF 7a_200000230433_100000729378 [0,1,0,0,0,0|2,0,1]=4 5241 B12R0.5 CCCSCCOCCCCCO 34a_200000230433_100000746330 [0,1,0,0,0,0|1,0,2]=4 5242 B12R0.5 CCCSCCOCCCCCO 7a_200000230433_100000746330 [0,1,0,0,0,0|1,0,2]=4 5243 B12R0.5 CCCSCCOCCCCOC 34a_200000230433_100000755781 [0,1,0,0,0,0|3,0,0]=4 5244 B12R0.5 CCCSCCOCCCCOC 7a_200000230433_100000730899 [0,1,0,0,0,0|3,0,0]=4 5245 B12R0.5 CCNCCCCCCCCCO 2230a_100000078944_100000210202 [0,1,0,0,0,0|0,0,2]=3 5246 B12R0.5 CCNCCCCCCCCCO 2230a_100015525214_100009813782 [0,1,0,0,0,0|0,0,2]=3 5247 B12R0.5 CCNCCCCCCCCCO 34a_100000078944_100000210202 [0,1,0,0,0,0|0,0,2]=3 5248 B12R0.5 CCOCCCCCCCCCBr 34a_100009813782_100000210202 [0,1,0,0,0,0|1,0,1]=3 5249 B12R0.5 CCOCCCCCCCCCBr 7a_100009813782_100000210202 [0,1,0,0,0,0|1,0,1]=3 5250 B12R0.5 CCOCCCCCCCCCCl 34a_100009868337_100000210202 [0,1,0,0,0,0|1,0,1]=3 5251 B12R0.5 CCOCCCCCCCCCCl 7a_100009868337_100000210202 [0,1,0,0,0,0|1,0,1]=3 5252 B12R0.5 CCOCCCCCCCCCN 34a_100000078944_100000210202 [0,1,0,0,0,0|1,0,1]=3 5253 B12R0.5 CCOCCCCCCCCCO 34a_100121572206_100009813782 [0,1,0,0,0,0|0,0,2]=3 5254 B12R0.5 CCOCCCNCCCCC#N 2230a_100000210961_100000211819 [0,1,0,0,0,0|2,0,1]=4 5255 B12R0.5 CCOCCCNCCCCC=O 2230a_100000210961_100000139335 [0,1,0,0,0,0|1,0,0]=2 5256 B12R0.5 CCOCCCNCCCCCF 2230a_100000210961_100000729378 [0,1,0,0,0,0|2,0,1]=4 5257 B12R0.5 CCOCCCNCCCCCF 34a_100000210961_100000729378 [0,1,0,0,0,0|2,0,1]=4 5258 B12R0.5 CCOCCCNCCCCCO 2230a_100000210961_100000746330 [0,1,0,0,0,0|1,0,2]=4 5259 B12R0.5 CCOCCCNCCCCCO 2230a_100000762737_100012232248 [0,1,0,0,0,0|1,0,2]=4 5260 B12R0.5 CCOCCCNCCCCCO 34a_100000210961_100000746330 [0,1,0,0,0,0|1,0,2]=4 5261 B12R0.5 CCOCCCNCCCCCO 34a_100000762737_100012232248 [0,1,0,0,0,0|1,0,2]=4 5262 B12R0.5 CCOCCCNCCCCOC 2230a_100000210961_100000730899 [0,1,0,0,0,0|3,0,0]=4 5263 B12R0.5 CCOCCCNCCCCOC 34a_100000210961_100000755781 [0,1,0,0,0,0|3,0,0]=4 5264 B12R0.5 CCOCCCOCCCCC#N 7a_100000757476_100000211819 [0,1,0,0,0,0|2,0,1]=4 5265 B12R0.5 CCOCCCOCCCCC=O 7a_100000757476_100000139335 [0,1,0,0,0,0|1,0,0]=2 5266 B12R0.5 CCOCCCOCCCCCBr 34a_100000746331_100012232248 [0,1,0,0,0,0|2,0,1]=4 5267 B12R0.5 CCOCCCOCCCCCBr 7a_100000746331_100012232248 [0,1,0,0,0,0|2,0,1]=4 5268 B12R0.5 CCOCCCOCCCCCCl 34a_100000746330_100012232248 [0,1,0,0,0,0|2,0,1]=4 5269 B12R0.5 CCOCCCOCCCCCCl 7a_100000746330_100012232248 [0,1,0,0,0,0|2,0,1]=4 5270 B12R0.5 CCOCCCOCCCCCF 34a_100000757476_100000729378 [0,1,0,0,0,0|2,0,1]=4 5271 B12R0.5 CCOCCCOCCCCCF 7a_100000757476_100000729378 [0,1,0,0,0,0|2,0,1]=4 5272 B12R0.5 CCOCCCOCCCCCI 34a_200012148887_100012232248 [0,1,0,0,0,0|2,0,1]=4 5273 B12R0.5 CCOCCCOCCCCCI 7a_200012148887_100012232248 [0,1,0,0,0,0|2,0,1]=4 5274 B12R0.5 CCOCCCOCCCCCN 34a_100000762737_100012232248 [0,1,0,0,0,0|2,0,1]=4 5275 B12R0.5 CCOCCCOCCCCCO 34a_100000757476_100000746330 [0,1,0,0,0,0|1,0,2]=4 5276 B12R0.5 CCOCCCOCCCCCO 7a_100000757476_100000746330 [0,1,0,0,0,0|1,0,2]=4 5277 B12R0.5 CCOCCCOCCCCOC 34a_100000740925_100012232248 [0,1,0,0,0,0|3,0,0]=4 5278 B12R0.5 CCOCCCOCCCCOC 34a_100000757476_100000755781 [0,1,0,0,0,0|3,0,0]=4 5279 B12R0.5 CCOCCCOCCCCOC 7a_100000757476_100000730899 [0,1,0,0,0,0|3,0,0]=4 5280 B12R0.5 CCOCCCOCCCCSC 34a_100011217163_100012232248 [0,1,0,0,0,0|3,0,0]=4 5281 B12R0.5 CCOCCCOCCCCSC 7a_100011217163_100012232248 [0,1,0,0,0,0|3,0,0]=4 5282 B12R0.5 CCOCCCSCCCCC#N 62a_100011219923_100012232248 [0,1,0,0,0,0|2,0,1]=4 5283 B12R0.5 CCOCCCSCCCCC#N 62a_100012232248_100000211819 [0,1,0,0,0,0|2,0,1]=4 5284 B12R0.5 CCOCCCSCCCCC=O 62a_100000139335_100012232248 [0,1,0,0,0,0|1,0,0]=2 5285 B12R0.5 CCOCCCSCCCCC=O 62a_100012232248_100000139335 [0,1,0,0,0,0|1,0,0]=2 5286 B12R0.5 CCOCCCSCCCCCF 62a_100000729378_100012232248 [0,1,0,0,0,0|2,0,1]=4 5287 B12R0.5 CCOCCCSCCCCCF 62a_100012232248_100000729378 [0,1,0,0,0,0|2,0,1]=4 5288 B12R0.5 CCOCCCSCCCCCO 62a_100000746330_100012232248 [0,1,0,0,0,0|1,0,2]=4 5289 B12R0.5 CCOCCCSCCCCCO 62a_100012232248_100000746330 [0,1,0,0,0,0|1,0,2]=4 5290 B12R0.5 CCOCCCSCCCCOC 62a_100000730899_100012232248 [0,1,0,0,0,0|3,0,0]=4 5291 B12R0.5 CCOCCCSCCCCOC 62a_100012232248_100000730899 [0,1,0,0,0,0|3,0,0]=4 5292 B12R0.5 CCOCCNCCCCCC#N 2230a_102516460346_100009813376 [0,1,0,0,0,0|2,0,1]=4 5293 B12R0.5 CCOCCNCCCCCC=O 2230a_102516460346_100000139337 [0,1,0,0,0,0|1,0,0]=2 5294 B12R0.5 CCOCCNCCCCCCF 2230a_102516460346_100015922095 [0,1,0,0,0,0|2,0,1]=4 5295 B12R0.5 CCOCCNCCCCCCF 34a_102516460346_100015922095 [0,1,0,0,0,0|2,0,1]=4 5296 B12R0.5 CCOCCNCCCCCCO 2230a_100000686447_100011215890 [0,1,0,0,0,0|1,0,2]=4 5297 B12R0.5 CCOCCNCCCCCCO 2230a_102516460346_100000766143 [0,1,0,0,0,0|1,0,2]=4 5298 B12R0.5 CCOCCNCCCCCCO 34a_100000686447_100000210147 [0,1,0,0,0,0|1,0,2]=4 5299 B12R0.5 CCOCCNCCCCCCO 34a_102516460346_100000766143 [0,1,0,0,0,0|1,0,2]=4 5300 B12R0.5 CCOCCNCCCCCOC 2230a_100000747528_100011215890 [0,1,0,0,0,0|3,0,0]=4 5301 B12R0.5 CCOCCNCCCCCOC 34a_100000747528_100000210147 [0,1,0,0,0,0|3,0,0]=4 5302 B12R0.5 CCOCCOCCCCCC#N 7a_100000210136_100009813376 [0,1,0,0,0,0|2,0,1]=4 5303 B12R0.5 CCOCCOCCCCCC=O 7a_100000210136_100000139337 [0,1,0,0,0,0|1,0,0]=2 5304 B12R0.5 CCOCCOCCCCCCBr 34a_100011215345_100000210147 [0,1,0,0,0,0|2,0,1]=4 5305 B12R0.5 CCOCCOCCCCCCBr 7a_100011215345_100011215890 [0,1,0,0,0,0|2,0,1]=4 5306 B12R0.5 CCOCCOCCCCCCCl 34a_100000766143_100000210147 [0,1,0,0,0,0|2,0,1]=4 5307 B12R0.5 CCOCCOCCCCCCCl 7a_100000766143_100011215890 [0,1,0,0,0,0|2,0,1]=4 5308 B12R0.5 CCOCCOCCCCCCF 34a_100000210136_100015922095 [0,1,0,0,0,0|2,0,1]=4 5309 B12R0.5 CCOCCOCCCCCCF 34a_100000732779_100000210147 [0,1,0,0,0,0|2,0,1]=4 5310 B12R0.5 CCOCCOCCCCCCF 7a_100000210136_100015922095 [0,1,0,0,0,0|2,0,1]=4 5311 B12R0.5 CCOCCOCCCCCCF 7a_100000732779_100011215890 [0,1,0,0,0,0|2,0,1]=4 5312 B12R0.5 CCOCCOCCCCCCN 34a_100000686447_100000210147 [0,1,0,0,0,0|2,0,1]=4 5313 B12R0.5 CCOCCOCCCCCCO 34a_100000210136_100000766143 [0,1,0,0,0,0|1,0,2]=4 5314 B12R0.5 CCOCCOCCCCCCO 7a_100000210136_100000766143 [0,1,0,0,0,0|1,0,2]=4 5315 B12R0.5 CCOCCOCCCCCNC 34a_100000722520_100000210147 [0,1,0,0,0,0|3,0,0]=4 5316 B12R0.5 CCOCCSCCCCCC#N 62a_100000210147_100009813376 [0,1,0,0,0,0|2,0,1]=4 5317 B12R0.5 CCOCCSCCCCCC#N 62a_100009813376_100011215890 [0,1,0,0,0,0|2,0,1]=4 5318 B12R0.5 CCOCCSCCCCCC=O 62a_100000139337_100011215890 [0,1,0,0,0,0|1,0,0]=2 5319 B12R0.5 CCOCCSCCCCCC=O 62a_100000210147_100000139337 [0,1,0,0,0,0|1,0,0]=2 5320 B12R0.5 CCOCCSCCCCCCF 62a_100000210147_100015922095 [0,1,0,0,0,0|2,0,1]=4 5321 B12R0.5 CCOCCSCCCCCCF 62a_100015922095_100011215890 [0,1,0,0,0,0|2,0,1]=4 5322 B12R0.5 CCOCCSCCCCCCO 62a_100000210147_100000766143 [0,1,0,0,0,0|1,0,2]=4 5323 B12R0.5 CCOCCSCCCCCCO 62a_100000766143_100011215890 [0,1,0,0,0,0|1,0,2]=4 5324 B12R0.5 CCOCSCCCCCCC#N 62a_100000739092_100009813337 [0,1,0,0,0,0|2,0,1]=4 5325 B12R0.5 CCOCSCCCCCCC#N 62a_100009813337_100000739092 [0,1,0,0,0,0|2,0,1]=4 5326 B12R0.5 CCOCSCCCCCCCO 62a_100000739092_100000760002 [0,1,0,0,0,0|1,0,2]=4 5327 B12R0.5 CCOCSCCCCCCCO 62a_100000760002_100000739092 [0,1,0,0,0,0|1,0,2]=4 5328 B12R0.5 CCOCSCCCCCCOC 62a_100000739092_100011998445 [0,1,0,0,0,0|3,0,0]=4 5329 B12R0.5 CCOCSCCCCCCOC 62a_100011998445_100000739092 [0,1,0,0,0,0|3,0,0]=4 5330 B12R0.5 CCSCCCCCCCCCO 62a_100000210202_100009813782 [0,1,0,0,0,0|0,0,2]=3 5331 B12R0.5 CCSCCCCCCCCCO 62a_100009813782_100000210202 [0,1,0,0,0,0|0,0,2]=3 5332 B12R0.5 CCSCCCOCCCCC#N 7a_100011216438_100000211819 [0,1,0,0,0,0|2,0,1]=4 5333 B12R0.5 CCSCCCOCCCCC=O 7a_100011216438_100000139335 [0,1,0,0,0,0|1,0,0]=2 5334 B12R0.5 CCSCCCOCCCCCF 34a_100011216438_100000729378 [0,1,0,0,0,0|2,0,1]=4 5335 B12R0.5 CCSCCCOCCCCCF 7a_100011216438_100000729378 [0,1,0,0,0,0|2,0,1]=4 5336 B12R0.5 CCSCCCOCCCCCO 34a_100011216438_100000746330 [0,1,0,0,0,0|1,0,2]=4 5337 B12R0.5 CCSCCCOCCCCCO 7a_100011216438_100000746330 [0,1,0,0,0,0|1,0,2]=4 5338 B12R0.5 CCSCCCOCCCCOC 34a_100011216438_100000755781 [0,1,0,0,0,0|3,0,0]=4 5339 B12R0.5 CCSCCCOCCCCOC 7a_100011216438_100000730899 [0,1,0,0,0,0|3,0,0]=4 5340 B12R0.5 CCSCCNCCCCCC#N 2230a_100000106463_100009813376 [0,1,0,0,0,0|2,0,1]=4 5341 B12R0.5 CCSCCNCCCCCC=O 2230a_100000106463_100000139337 [0,1,0,0,0,0|1,0,0]=2 5342 B12R0.5 CCSCCNCCCCCCF 2230a_100000106463_100015922095 [0,1,0,0,0,0|2,0,1]=4 5343 B12R0.5 CCSCCNCCCCCCO 2230a_100000106463_100000766143 [0,1,0,0,0,0|1,0,2]=4 5344 B12R0.5 CCSCCNCCCCCCO 2230a_100000686447_100000757381 [0,1,0,0,0,0|1,0,2]=4 5345 B12R0.5 CCSCCNCCCCCCO 34a_100000686447_100000757381 [0,1,0,0,0,0|1,0,2]=4 5346 B12R0.5 CCSCCNCCCCCOC 2230a_100000747528_100000757381 [0,1,0,0,0,0|3,0,0]=4 5347 B12R0.5 CCSCCNCCCCCOC 34a_100000747528_100000757381 [0,1,0,0,0,0|3,0,0]=4 5348 B12R0.5 CCSCCOCCCCCC#N 7a_100000212035_100009813376 [0,1,0,0,0,0|2,0,1]=4 5349 B12R0.5 CCSCCOCCCCCC=O 7a_100000212035_100000139337 [0,1,0,0,0,0|1,0,0]=2 5350 B12R0.5 CCSCCOCCCCCCBr 34a_100011215345_100000757381 [0,1,0,0,0,0|2,0,1]=4 5351 B12R0.5 CCSCCOCCCCCCBr 7a_100011215345_100000757381 [0,1,0,0,0,0|2,0,1]=4 5352 B12R0.5 CCSCCOCCCCCCCl 34a_100000766143_100000757381 [0,1,0,0,0,0|2,0,1]=4 5353 B12R0.5 CCSCCOCCCCCCCl 7a_100000766143_100000757381 [0,1,0,0,0,0|2,0,1]=4 5354 B12R0.5 CCSCCOCCCCCCF 34a_100000212035_100015922095 [0,1,0,0,0,0|2,0,1]=4 5355 B12R0.5 CCSCCOCCCCCCF 34a_100000732779_100000757381 [0,1,0,0,0,0|2,0,1]=4 5356 B12R0.5 CCSCCOCCCCCCF 7a_100000212035_100015922095 [0,1,0,0,0,0|2,0,1]=4 5357 B12R0.5 CCSCCOCCCCCCF 7a_100000732779_100000757381 [0,1,0,0,0,0|2,0,1]=4 5358 B12R0.5 CCSCCOCCCCCCN 34a_100000686447_100000757381 [0,1,0,0,0,0|2,0,1]=4 5359 B12R0.5 CCSCCOCCCCCCO 34a_100000212035_100000766143 [0,1,0,0,0,0|1,0,2]=4 5360 B12R0.5 CCSCCOCCCCCCO 7a_100000212035_100000766143 [0,1,0,0,0,0|1,0,2]=4 5361 B12R0.5 CCSCCOCCCCCNC 34a_100000722520_100000757381 [0,1,0,0,0,0|3,0,0]=4 5362 B12R0.5 CCSCCSCCCCCC#N 62a_100000757381_100009813376 [0,1,0,0,0,0|2,0,1]=4 5363 B12R0.5 CCSCCSCCCCCC#N 62a_100009813376_100000757381 [0,1,0,0,0,0|2,0,1]=4 5364 B12R0.5 CCSCCSCCCCCC=O 62a_100000139337_100000757381 [0,1,0,0,0,0|1,0,0]=2 5365 B12R0.5 CCSCCSCCCCCC=O 62a_100000757381_100000139337 [0,1,0,0,0,0|1,0,0]=2 5366 B12R0.5 CCSCCSCCCCCCF 62a_100000757381_100015922095 [0,1,0,0,0,0|2,0,1]=4 5367 B12R0.5 CCSCCSCCCCCCF 62a_100015922095_100000757381 [0,1,0,0,0,0|2,0,1]=4 5368 B12R0.5 CCSCCSCCCCCCO 62a_100000757381_100000766143 [0,1,0,0,0,0|1,0,2]=4 5369 B12R0.5 CCSCCSCCCCCCO 62a_100000766143_100000757381 [0,1,0,0,0,0|1,0,2]=4 5370 B12R0.5 CNCCCCCCCCCCO 2230a_100000066964_200000210301 [0,1,0,0,0,0|0,0,2]=3 5371 B12R0.5 CNCCCCCCCCCCO 2230a_106832991635_100009813290 [0,1,0,0,0,0|0,0,2]=3 5372 B12R0.5 CNCCCCCCCCCCO 34a_100000066964_200000210301 [0,1,0,0,0,0|0,0,2]=3 5373 B12R0.5 CNCCCCCCCCCCO 34a_100102657272_100009813290 [0,1,0,0,0,0|0,0,2]=3 5374 B12R0.5 CNCCCCCCCCCCO 7a_106832991635_100009813290 [0,1,0,0,0,0|0,0,2]=3 5375 B12R0.5 CNCCCCCOCCCCF 34a_100000722520_100000729493 [0,1,0,0,0,0|2,0,1]=4 5376 B12R0.5 CNCCCCCOCCCCO 34a_100000722520_100011216708 [0,1,0,0,0,0|1,0,2]=4 5377 B12R0.5 CNCCCCCOCCCOC 34a_100000722520_100000740836 [0,1,0,0,0,0|3,0,0]=4 5378 B12R0.5 CNCCCOCCCCCCF 34a_100000213112_100015922095 [0,1,0,0,0,0|2,0,1]=4 5379 B12R0.5 CNCCCOCCCCCCO 34a_100000213112_100000766143 [0,1,0,0,0,0|1,0,2]=4 5380 B12R0.5 COCCCCCCCCCCBr 34a_100009813290_200000210301 [0,1,0,0,0,0|1,0,1]=3 5381 B12R0.5 COCCCCCCCCCCBr 7a_100009813290_200000210301 [0,1,0,0,0,0|1,0,1]=3 5382 B12R0.5 COCCCCCCCCCCCl 34a_200000033068_200000210301 [0,1,0,0,0,0|1,0,1]=3 5383 B12R0.5 COCCCCCCCCCCCl 7a_200000033068_200000210301 [0,1,0,0,0,0|1,0,1]=3 5384 B12R0.5 COCCCCCCCCCCN 34a_100000066964_200000210301 [0,1,0,0,0,0|1,0,1]=3 5385 B12R0.5 COCCCCCCCCCCO 34a_100138415774_100009813290 [0,1,0,0,0,0|0,0,2]=3 5386 B12R0.5 COCCCCCCNCCCF 2230a_100015189416_100011998445 [0,1,0,0,0,0|2,0,1]=4 5387 B12R0.5 COCCCCCCNCCCF 34a_100015189416_100011998445 [0,1,0,0,0,0|2,0,1]=4 5388 B12R0.5 COCCCCCCNCCOC 2230a_100000209980_100011998445 [0,1,0,0,0,0|3,0,0]=4 5389 B12R0.5 COCCCCCCNCCSC 2230a_100020590264_100011998445 [0,1,0,0,0,0|3,0,0]=4 5390 B12R0.5 COCCCCCCOCCC#N 7a_200012092642_100000184422 [0,1,0,0,0,0|2,0,1]=4 5391 B12R0.5 COCCCCCCOCCCBr 34a_100011217188_100011998445 [0,1,0,0,0,0|2,0,1]=4 5392 B12R0.5 COCCCCCCOCCCCl 34a_100000230001_100011998445 [0,1,0,0,0,0|2,0,1]=4 5393 B12R0.5 COCCCCCCOCCCF 34a_100000759539_100011998445 [0,1,0,0,0,0|2,0,1]=4 5394 B12R0.5 COCCCCCCOCCCF 34a_200012092642_100011934791 [0,1,0,0,0,0|2,0,1]=4 5395 B12R0.5 COCCCCCCOCCCF 7a_200012092642_100011934791 [0,1,0,0,0,0|2,0,1]=4 5396 B12R0.5 COCCCCCCOCCCN 34a_100000182051_100011998445 [0,1,0,0,0,0|2,0,1]=4 5397 B12R0.5 COCCCCCCOCCCO 34a_200012092642_100000230001 [0,1,0,0,0,0|1,0,2]=4 5398 B12R0.5 COCCCCCCOCCCO 7a_200012092642_100011215043 [0,1,0,0,0,0|1,0,2]=4 5399 B12R0.5 COCCCCCCOCCOC 34a_100000210237_100011998445 [0,1,0,0,0,0|3,0,0]=4 5400 B12R0.5 COCCCCCCOCCOC 34a_200012092642_100011201679 [0,1,0,0,0,0|3,0,0]=4 5401 B12R0.5 COCCCCCCOCCOC 7a_200012092642_100000233755 [0,1,0,0,0,0|3,0,0]=4 5402 B12R0.5 COCCCCCCOCCON 34a_100000700252_100011998445 [0,1,0,0,0,0|3,0,0]=4 5403 B12R0.5 COCCCCCCOCCSC 34a_100000230434_100011998445 [0,1,0,0,0,0|3,0,0]=4 5404 B12R0.5 COCCCCCCOCCSC 34a_200012092642_100000212216 [0,1,0,0,0,0|3,0,0]=4 5405 B12R0.5 COCCCCCCOCCSC 7a_100000230434_100011998445 [0,1,0,0,0,0|3,0,0]=4 5406 B12R0.5 COCCCCCCOCCSC 7a_200012092642_100000212216 [0,1,0,0,0,0|3,0,0]=4 5407 B12R0.5 COCCCCCCSCCC#N 62a_100011215226_100011998445 [0,1,0,0,0,0|2,0,1]=4 5408 B12R0.5 COCCCCCCSCCC#N 62a_100011998445_100011215226 [0,1,0,0,0,0|2,0,1]=4 5409 B12R0.5 COCCCCCCSCCCF 62a_100011934791_100011998445 [0,1,0,0,0,0|2,0,1]=4 5410 B12R0.5 COCCCCCCSCCCF 62a_100011998445_100011934791 [0,1,0,0,0,0|2,0,1]=4 5411 B12R0.5 COCCCCCCSCCCO 62a_100011215043_100011998445 [0,1,0,0,0,0|1,0,2]=4 5412 B12R0.5 COCCCCCCSCCCO 62a_100011998445_100011215043 [0,1,0,0,0,0|1,0,2]=4 5413 B12R0.5 COCCCCCCSCCOC 62a_100000233755_100011998445 [0,1,0,0,0,0|3,0,0]=4 5414 B12R0.5 COCCCCCCSCCOC 62a_100011998445_100000233755 [0,1,0,0,0,0|3,0,0]=4 5415 B12R0.5 COCCCCCCSCCSC 62a_100000212216_100011998445 [0,1,0,0,0,0|3,0,0]=4 5416 B12R0.5 COCCCCCCSCCSC 62a_100011998445_100000751147 [0,1,0,0,0,0|3,0,0]=4 5417 B12R0.5 COCCCCCNCCCC#N 2230a_100000747528_100000687738 [0,1,0,0,0,0|2,0,1]=4 5418 B12R0.5 COCCCCCNCCCC=O 2230a_100000747528_200011292268 [0,1,0,0,0,0|1,0,0]=2 5419 B12R0.5 COCCCCCNCCCCF 2230a_100000747528_100000729493 [0,1,0,0,0,0|2,0,1]=4 5420 B12R0.5 COCCCCCNCCCCF 34a_100000747528_100000729493 [0,1,0,0,0,0|2,0,1]=4 5421 B12R0.5 COCCCCCNCCCCO 2230a_100000747528_100000210776 [0,1,0,0,0,0|1,0,2]=4 5422 B12R0.5 COCCCCCNCCCCO 34a_100000747528_100011216708 [0,1,0,0,0,0|1,0,2]=4 5423 B12R0.5 COCCCCCNCCCOC 2230a_100000747528_100000740836 [0,1,0,0,0,0|3,0,0]=4 5424 B12R0.5 COCCCCCNCCCOC 34a_100000747528_100000740836 [0,1,0,0,0,0|3,0,0]=4 5425 B12R0.5 COCCCCNCCCCCO 2230a_100000762737_100000730899 [0,1,0,0,0,0|1,0,2]=4 5426 B12R0.5 COCCCCNCCCCCO 34a_100000762737_100000755781 [0,1,0,0,0,0|1,0,2]=4 5427 B12R0.5 COCCCCOCCCCCBr 34a_100000746331_100000755781 [0,1,0,0,0,0|2,0,1]=4 5428 B12R0.5 COCCCCOCCCCCBr 7a_100000746331_100000730899 [0,1,0,0,0,0|2,0,1]=4 5429 B12R0.5 COCCCCOCCCCCCl 34a_100000746330_100000755781 [0,1,0,0,0,0|2,0,1]=4 5430 B12R0.5 COCCCCOCCCCCCl 7a_100000746330_100000730899 [0,1,0,0,0,0|2,0,1]=4 5431 B12R0.5 COCCCCOCCCCCF 34a_100000740925_100000729378 [0,1,0,0,0,0|2,0,1]=4 5432 B12R0.5 COCCCCOCCCCCI 34a_200012148887_100000755781 [0,1,0,0,0,0|2,0,1]=4 5433 B12R0.5 COCCCCOCCCCCI 7a_200012148887_100000730899 [0,1,0,0,0,0|2,0,1]=4 5434 B12R0.5 COCCCCOCCCCCN 34a_100000762737_100000755781 [0,1,0,0,0,0|2,0,1]=4 5435 B12R0.5 COCCCCOCCCCCO 34a_100000740925_100000746330 [0,1,0,0,0,0|1,0,2]=4 5436 B12R0.5 COCCCCOCCCCOC 34a_100000740925_100000755781 [0,1,0,0,0,0|3,0,0]=4 5437 B12R0.5 COCCCCOCCCCSC 34a_100011217163_100000755781 [0,1,0,0,0,0|3,0,0]=4 5438 B12R0.5 COCCCCOCCCCSC 7a_100011217163_100000730899 [0,1,0,0,0,0|3,0,0]=4 5439 B12R0.5 COCCCCSCCCCC#N 62a_100000730899_100000211819 [0,1,0,0,0,0|2,0,1]=4 5440 B12R0.5 COCCCCSCCCCC#N 62a_100011219923_100000730899 [0,1,0,0,0,0|2,0,1]=4 5441 B12R0.5 COCCCCSCCCCC=O 62a_100000139335_100000730899 [0,1,0,0,0,0|1,0,0]=2 5442 B12R0.5 COCCCCSCCCCC=O 62a_100000730899_100000139335 [0,1,0,0,0,0|1,0,0]=2 5443 B12R0.5 COCCCCSCCCCCF 62a_100000729378_100000730899 [0,1,0,0,0,0|2,0,1]=4 5444 B12R0.5 COCCCCSCCCCCF 62a_100000730899_100000729378 [0,1,0,0,0,0|2,0,1]=4 5445 B12R0.5 COCCCCSCCCCCO 62a_100000730899_100000746330 [0,1,0,0,0,0|1,0,2]=4 5446 B12R0.5 COCCCCSCCCCCO 62a_100000746330_100000730899 [0,1,0,0,0,0|1,0,2]=4 5447 B12R0.5 COCCCCSCCCCOC 62a_100000730899_100000730899 [0,1,0,0,0,0|3,0,0]=4 5448 B12R0.5 COCCCNCCCCCCF 34a_100150723488_100015922095 [0,1,0,0,0,0|2,0,1]=4 5449 B12R0.5 COCCCNCCCCCCO 2230a_100000686447_100000740836 [0,1,0,0,0,0|1,0,2]=4 5450 B12R0.5 COCCCNCCCCCCO 34a_100000686447_100000740836 [0,1,0,0,0,0|1,0,2]=4 5451 B12R0.5 COCCCNCCCCCCO 34a_100150723488_100000766143 [0,1,0,0,0,0|1,0,2]=4 5452 B12R0.5 COCCCOCCCCCCBr 34a_100011215345_100000740836 [0,1,0,0,0,0|2,0,1]=4 5453 B12R0.5 COCCCOCCCCCCBr 7a_100011215345_100000740836 [0,1,0,0,0,0|2,0,1]=4 5454 B12R0.5 COCCCOCCCCCCCl 34a_100000766143_100000740836 [0,1,0,0,0,0|2,0,1]=4 5455 B12R0.5 COCCCOCCCCCCCl 7a_100000766143_100000740836 [0,1,0,0,0,0|2,0,1]=4 5456 B12R0.5 COCCCOCCCCCCF 34a_100000732779_100000740836 [0,1,0,0,0,0|2,0,1]=4 5457 B12R0.5 COCCCOCCCCCCF 34a_100000740835_100015922095 [0,1,0,0,0,0|2,0,1]=4 5458 B12R0.5 COCCCOCCCCCCF 7a_100000732779_100000740836 [0,1,0,0,0,0|2,0,1]=4 5459 B12R0.5 COCCCOCCCCCCN 34a_100000686447_100000740836 [0,1,0,0,0,0|2,0,1]=4 5460 B12R0.5 COCCCOCCCCCCO 34a_100000740835_100000766143 [0,1,0,0,0,0|1,0,2]=4 5461 B12R0.5 COCCCOCCCOCC=O 34a_200011215475_200009817547 [0,1,0,0,0,0|2,0,0]=3 5462 B12R0.5 COCCCOCCCOCC=O 7a_200011215475_200015260668 [0,1,0,0,0,0|2,0,0]=3 5463 B12R0.5 COCCCSCCCCCC#N 62a_100000709357_100009813376 [0,1,0,0,0,0|2,0,1]=4 5464 B12R0.5 COCCCSCCCCCC#N 62a_100009813376_100000709357 [0,1,0,0,0,0|2,0,1]=4 5465 B12R0.5 COCCCSCCCCCC=O 62a_100000139337_100000709357 [0,1,0,0,0,0|1,0,0]=2 5466 B12R0.5 COCCCSCCCCCC=O 62a_100000709357_100000139337 [0,1,0,0,0,0|1,0,0]=2 5467 B12R0.5 COCCCSCCCCCCF 62a_100000709357_100015922095 [0,1,0,0,0,0|2,0,1]=4 5468 B12R0.5 COCCCSCCCCCCF 62a_100015922095_100000709357 [0,1,0,0,0,0|2,0,1]=4 5469 B12R0.5 COCCCSCCCCCCO 62a_100000709357_100000766143 [0,1,0,0,0,0|1,0,2]=4 5470 B12R0.5 COCCCSCCCCCCO 62a_100000766143_100000709357 [0,1,0,0,0,0|1,0,2]=4 5471 B12R0.5 COCCNCCCCCCC#N 2230a_100000209980_100009813337 [0,1,0,0,0,0|2,0,1]=4 5472 B12R0.5 COCCNCCCCCCCO 2230a_100000209980_100000760002 [0,1,0,0,0,0|1,0,2]=4 5473 B12R0.5 COCCNCCCCCCCO 2230a_100011996573_100011201679 [0,1,0,0,0,0|1,0,2]=4 5474 B12R0.5 COCCNCCCCCCCO 34a_100011996573_100011201679 [0,1,0,0,0,0|1,0,2]=4 5475 B12R0.5 COCCOCCCCCCCBr 34a_100000760002_100011201679 [0,1,0,0,0,0|2,0,1]=4 5476 B12R0.5 COCCOCCCCCCCBr 7a_100000760002_100000233755 [0,1,0,0,0,0|2,0,1]=4 5477 B12R0.5 COCCOCCCCCCCN 34a_100011996573_100011201679 [0,1,0,0,0,0|2,0,1]=4 5478 B12R0.5 COCCOCCCCCCCO 34a_100000210237_100000760002 [0,1,0,0,0,0|1,0,2]=4 5479 B12R0.5 COCCOCCNCCCC=O 2230a_100000745349_200011292268 [0,1,0,0,0,0|2,0,0]=3 5480 B12R0.5 COCCOCCOCCCC=O 7a_100011215163_200011292268 [0,1,0,0,0,0|2,0,0]=3 5481 B12R0.5 COCCOCCSCCCC=O 62a_100000695917_200011292268 [0,1,0,0,0,0|2,0,0]=3 5482 B12R0.5 COCCOCCSCCCC=O 62a_200011292268_100000695917 [0,1,0,0,0,0|2,0,0]=3 5483 B12R0.5 COCCOCSCCCCC=O 62a_100000139335_100000231047 [0,1,0,0,0,0|2,0,0]=3 5484 B12R0.5 COCCOCSCCCCC=O 62a_100000231047_100000139335 [0,1,0,0,0,0|2,0,0]=3 5485 B12R0.5 COCCSCCCCCCC#N 62a_100000233755_100009813337 [0,1,0,0,0,0|2,0,1]=4 5486 B12R0.5 COCCSCCCCCCC#N 62a_100009813337_100000233755 [0,1,0,0,0,0|2,0,1]=4 5487 B12R0.5 COCCSCCCCCCCO 62a_100000233755_100000760002 [0,1,0,0,0,0|1,0,2]=4 5488 B12R0.5 COCCSCCCCCCCO 62a_100000760002_100000233755 [0,1,0,0,0,0|1,0,2]=4 5489 B12R0.5 COCNCCCCCCCCO 2230a_102515433106_100000766300 [0,1,0,0,0,0|1,0,2]=4 5490 B12R0.5 COCSCCCCCCCCO 62a_100000033203_100000766300 [0,1,0,0,0,0|1,0,2]=4 5491 B12R0.5 COCSCCCCCCCCO 62a_100000766300_100000033203 [0,1,0,0,0,0|1,0,2]=4 5492 B12R0.5 CSCCCCCCCCCCO 62a_100009813290_200000210301 [0,1,0,0,0,0|0,0,2]=3 5493 B12R0.5 CSCCCCCCCCCCO 62a_200000210301_200000033068 [0,1,0,0,0,0|0,0,2]=3 5494 B12R0.5 CSCCCCOCCCCC#N 7a_100011217163_100000211819 [0,1,0,0,0,0|2,0,1]=4 5495 B12R0.5 CSCCCCOCCCCC=O 7a_100011217163_100000139335 [0,1,0,0,0,0|1,0,0]=2 5496 B12R0.5 CSCCCCOCCCCCF 34a_100011217163_100000729378 [0,1,0,0,0,0|2,0,1]=4 5497 B12R0.5 CSCCCCOCCCCCF 7a_100011217163_100000729378 [0,1,0,0,0,0|2,0,1]=4 5498 B12R0.5 CSCCCCOCCCCCO 34a_100011217163_100000746330 [0,1,0,0,0,0|1,0,2]=4 5499 B12R0.5 CSCCCCOCCCCCO 7a_100011217163_100000746330 [0,1,0,0,0,0|1,0,2]=4 5500 B12R0.5 CSCCCNCCCCCC#N 2230a_100000749238_100009813376 [0,1,0,0,0,0|2,0,1]=4 5501 B12R0.5 CSCCCNCCCCCC=O 2230a_100000749238_100000139337 [0,1,0,0,0,0|1,0,0]=2 5502 B12R0.5 CSCCCNCCCCCCF 2230a_100000749238_100015922095 [0,1,0,0,0,0|2,0,1]=4 5503 B12R0.5 CSCCCNCCCCCCO 2230a_100000749238_100000766143 [0,1,0,0,0,0|1,0,2]=4 5504 B12R0.5 CSCCCOCCCCCC#N 7a_100000690336_100009813376 [0,1,0,0,0,0|2,0,1]=4 5505 B12R0.5 CSCCCOCCCCCC=O 7a_100000690336_100000139337 [0,1,0,0,0,0|1,0,0]=2 5506 B12R0.5 CSCCCOCCCCCCF 34a_100000690336_100015922095 [0,1,0,0,0,0|2,0,1]=4 5507 B12R0.5 CSCCCOCCCCCCF 7a_100000690336_100015922095 [0,1,0,0,0,0|2,0,1]=4 5508 B12R0.5 CSCCCOCCCCCCO 34a_100000690336_100000766143 [0,1,0,0,0,0|1,0,2]=4 5509 B12R0.5 CSCCCOCCCCCCO 7a_100000690336_100000766143 [0,1,0,0,0,0|1,0,2]=4 5510 B12R0.5 CSCCNCCCCCCC#N 2230a_100020590264_100009813337 [0,1,0,0,0,0|2,0,1]=4 5511 B12R0.5 CSCCNCCCCCCCO 2230a_100011996573_100000751147 [0,1,0,0,0,0|1,0,2]=4 5512 B12R0.5 CSCCNCCCCCCCO 2230a_100020590264_100000760002 [0,1,0,0,0,0|1,0,2]=4 5513 B12R0.5 CSCCNCCCCCCCO 34a_100011996573_100000212216 [0,1,0,0,0,0|1,0,2]=4 5514 B12R0.5 CSCCOCCCCCCC#N 7a_100000230434_100009813337 [0,1,0,0,0,0|2,0,1]=4 5515 B12R0.5 CSCCOCCCCCCCBr 34a_100000760002_100000212216 [0,1,0,0,0,0|2,0,1]=4 5516 B12R0.5 CSCCOCCCCCCCBr 7a_100000760002_100000212216 [0,1,0,0,0,0|2,0,1]=4 5517 B12R0.5 CSCCOCCCCCCCN 34a_100011996573_100000212216 [0,1,0,0,0,0|2,0,1]=4 5518 B12R0.5 CSCCOCCCCCCCO 34a_100000230434_100000760002 [0,1,0,0,0,0|1,0,2]=4 5519 B12R0.5 CSCCOCCCCCCCO 7a_100000230434_100000760002 [0,1,0,0,0,0|1,0,2]=4 5520 B12R0.5 CSCCSCCCCCCC#N 62a_100000212216_100009813337 [0,1,0,0,0,0|2,0,1]=4 5521 B12R0.5 CSCCSCCCCCCC#N 62a_100009813337_100000751147 [0,1,0,0,0,0|2,0,1]=4 5522 B12R0.5 CSCCSCCCCCCCO 62a_100000212216_100000760002 [0,1,0,0,0,0|1,0,2]=4 5523 B12R0.5 CSCCSCCCCCCCO 62a_100000760002_100000751147 [0,1,0,0,0,0|1,0,2]=4 5524 B12R0.5 CSCNCCCCCCCCO 2230a_102515433106_100011218213 [0,1,0,0,0,0|1,0,2]=4 5525 B12R0.5 CSCNCCCCCCCCO 34a_102515433106_100011218213 [0,1,0,0,0,0|1,0,2]=4 5526 B12R0.5 CSCOCCCCCCCCBr 34a_100009813846_100011218213 [0,1,0,0,0,0|2,0,1]=4 5527 B12R0.5 CSCOCCCCCCCCCl 34a_100000033203_100011218213 [0,1,0,0,0,0|2,0,1]=4 5528 B12R0.5 CSCOCCCCCCCCN 34a_102515433106_100011218213 [0,1,0,0,0,0|2,0,1]=4 5529 B12R0.5 CSCSCCCCCCCCO 62a_100000033203_100011218213 [0,1,0,0,0,0|1,0,2]=4 5530 B12R0.5 CSCSCCCCCCCCO 62a_100011218213_100000033203 [0,1,0,0,0,0|1,0,2]=4 5531 B12R0.5 FCCCCCCOCCCCBr 34a_100011216708_100015922095 [0,1,0,0,0,0|2,0,1]=4 5532 B12R0.5 FCCCCCCOCCCCCl 34a_100000210776_100015922095 [0,1,0,0,0,0|2,0,1]=4 5533 B12R0.5 FCCCCCCOCCCCCl 7a_100000210776_100015922095 [0,1,0,0,0,0|2,0,1]=4 5534 B12R0.5 FCCCCCCOCCCCF 34a_100000732779_100000729493 [0,1,0,0,0,0|2,0,1]=4 5535 B12R0.5 FCCCCCCOCCCCF 34a_100011995726_100015922095 [0,1,0,0,0,0|2,0,1]=4 5536 B12R0.5 FCCCCCCOCCCCF 7a_100000732779_100000729493 [0,1,0,0,0,0|2,0,1]=4 5537 B12R0.5 FCCCCCCOCCCCF 7a_100011995726_100015922095 [0,1,0,0,0,0|2,0,1]=4 5538 B12R0.5 FCCCCCCOCCCCI 34a_200012148704_100015922095 [0,1,0,0,0,0|2,0,1]=4 5539 B12R0.5 FCCCCCCSCCCCF 62a_100000729493_100015922095 [0,1,0,0,0,0|2,0,1]=4 5540 B12R0.5 FCCCCCCSCCCCF 62a_100015922095_100000729493 [0,1,0,0,0,0|2,0,1]=4 5541 B12R0.5 FCCCCCOCCCCCBr 34a_100000746331_100000729378 [0,1,0,0,0,0|2,0,1]=4 5542 B12R0.5 FCCCCCOCCCCCBr 7a_100000746331_100000729378 [0,1,0,0,0,0|2,0,1]=4 5543 B12R0.5 FCCCCCOCCCCCCl 34a_100000746330_100000729378 [0,1,0,0,0,0|2,0,1]=4 5544 B12R0.5 FCCCCCOCCCCCCl 7a_100000746330_100000729378 [0,1,0,0,0,0|2,0,1]=4 5545 B12R0.5 FCCCCCOCCCCCI 34a_200012148887_100000729378 [0,1,0,0,0,0|2,0,1]=4 5546 B12R0.5 FCCCCCOCCCCCI 7a_200012148887_100000729378 [0,1,0,0,0,0|2,0,1]=4 5547 B12R0.5 FCCCCCSCCCCCF 62a_100000729378_100000729378 [0,1,0,0,0,0|2,0,1]=4 5548 B12R0.5 FCCCCOCCCCCCBr 34a_100011215345_100000729493 [0,1,0,0,0,0|2,0,1]=4 5549 B12R0.5 FCCCCOCCCCCCBr 7a_100011215345_100000729493 [0,1,0,0,0,0|2,0,1]=4 5550 B12R0.5 FCCCCOCCCCCCCl 34a_100000766143_100000729493 [0,1,0,0,0,0|2,0,1]=4 5551 B12R0.5 FCCCCOCCCCCCCl 7a_100000766143_100000729493 [0,1,0,0,0,0|2,0,1]=4 5552 B12R0.5 FCCCOCCCCCCCBr 34a_100000760002_100011934791 [0,1,0,0,0,0|2,0,1]=4 5553 B12R0.5 FCCCOCCCCCCCBr 7a_100000760002_100011934791 [0,1,0,0,0,0|2,0,1]=4 5554 B12R0.5 FCCOCCCCCCCCBr 34a_100009813846_100011217306 [0,1,0,0,0,0|2,0,1]=4 5555 B12R0.5 FCCOCCCCCCCCBr 7a_100009813846_100011217306 [0,1,0,0,0,0|2,0,1]=4 5556 B12R0.5 FCCOCCCCCCCCCl 34a_100000033203_100011217306 [0,1,0,0,0,0|2,0,1]=4 5557 B12R0.5 FCCOCCCCCCCCCl 7a_100000033203_100011217306 [0,1,0,0,0,0|2,0,1]=4 5558 B12R0.5 FCOCCCCCCCCCBr 34a_100009813782_100015361967 [0,1,0,0,0,0|2,0,1]=4 5559 B12R0.5 FCOCCCCCCCCCBr 7a_100009813782_100015361967 [0,1,0,0,0,0|2,0,1]=4 5560 B12R0.5 FCOCCCCCCCCCCl 34a_100009868337_100015361967 [0,1,0,0,0,0|2,0,1]=4 5561 B12R0.5 FCOCCCCCCCCCCl 7a_100009868337_100015361967 [0,1,0,0,0,0|2,0,1]=4 5562 B12R0.5 N#CCCCCCCNCCCF 2230a_100015189416_100009813337 [0,1,0,0,0,0|2,0,1]=4 5563 B12R0.5 N#CCCCCCCSCCCF 62a_100009813337_100011934791 [0,1,0,0,0,0|2,0,1]=4 5564 B12R0.5 N#CCCCCCCSCCCF 62a_100011934791_100009813337 [0,1,0,0,0,0|2,0,1]=4 5565 B12R0.5 N#CCCCCCCSCCCO 62a_100009813337_100011215043 [0,1,0,0,0,0|2,0,1]=4 5566 B12R0.5 N#CCCCCCCSCCCO 62a_100011215043_100009813337 [0,1,0,0,0,0|2,0,1]=4 5567 B12R0.5 N#CCCCCCNCCCCO 2230a_100000750430_100009813376 [0,1,0,0,0,0|2,0,1]=4 5568 B12R0.5 N#CCCCCCOCCCCCl 7a_100000210776_100009813376 [0,1,0,0,0,0|2,0,1]=4 5569 B12R0.5 N#CCCCCCOCCCCF 7a_100011995726_100009813376 [0,1,0,0,0,0|2,0,1]=4 5570 B12R0.5 N#CCCCCCSCCCC=O 62a_100009813376_200011292268 [0,1,0,0,0,0|1,0,1]=3 5571 B12R0.5 N#CCCCCCSCCCC=O 62a_200011292268_100009813376 [0,1,0,0,0,0|1,0,1]=3 5572 B12R0.5 N#CCCCCCSCCCCF 62a_100000729493_100009813376 [0,1,0,0,0,0|2,0,1]=4 5573 B12R0.5 N#CCCCCCSCCCCF 62a_100009813376_100000729493 [0,1,0,0,0,0|2,0,1]=4 5574 B12R0.5 N#CCCCCCSCCCCO 62a_100000210776_100009813376 [0,1,0,0,0,0|2,0,1]=4 5575 B12R0.5 N#CCCCCCSCCCCO 62a_100009813376_100000210776 [0,1,0,0,0,0|2,0,1]=4 5576 B12R0.5 N#CCCCCNCCCCCO 2230a_100000762737_100000211819 [0,1,0,0,0,0|2,0,1]=4 5577 B12R0.5 N#CCCCCOCCCCCBr 7a_100000746331_100000211819 [0,1,0,0,0,0|2,0,1]=4 5578 B12R0.5 N#CCCCCOCCCCCCl 7a_100000746330_100000211819 [0,1,0,0,0,0|2,0,1]=4 5579 B12R0.5 N#CCCCCOCCCCCI 7a_200012148887_100000211819 [0,1,0,0,0,0|2,0,1]=4 5580 B12R0.5 N#CCCCCSCCCCC=O 62a_100000139335_100000211819 [0,1,0,0,0,0|1,0,1]=3 5581 B12R0.5 N#CCCCCSCCCCC=O 62a_100011219923_100000139335 [0,1,0,0,0,0|1,0,1]=3 5582 B12R0.5 N#CCCCCSCCCCCF 62a_100000729378_100000211819 [0,1,0,0,0,0|2,0,1]=4 5583 B12R0.5 N#CCCCCSCCCCCF 62a_100011219923_100000729378 [0,1,0,0,0,0|2,0,1]=4 5584 B12R0.5 N#CCCCCSCCCCCO 62a_100000746330_100000211819 [0,1,0,0,0,0|2,0,1]=4 5585 B12R0.5 N#CCCCCSCCCCCO 62a_100011219923_100000746330 [0,1,0,0,0,0|2,0,1]=4 5586 B12R0.5 N#CCCCNCCCCCCO 2230a_100000686447_100000687738 [0,1,0,0,0,0|2,0,1]=4 5587 B12R0.5 N#CCCCOCCCCCCBr 7a_100011215345_100000687738 [0,1,0,0,0,0|2,0,1]=4 5588 B12R0.5 N#CCCCOCCCCCCCl 7a_100000766143_100000687738 [0,1,0,0,0,0|2,0,1]=4 5589 B12R0.5 N#CCCCOCCCCCCF 7a_100000732779_100000687738 [0,1,0,0,0,0|2,0,1]=4 5590 B12R0.5 N#CCCCSCCCCCC=O 62a_100000139337_100000687738 [0,1,0,0,0,0|1,0,1]=3 5591 B12R0.5 N#CCCCSCCCCCC=O 62a_100000687738_100000139337 [0,1,0,0,0,0|1,0,1]=3 5592 B12R0.5 N#CCCCSCCCCCCF 62a_100000687738_100015922095 [0,1,0,0,0,0|2,0,1]=4 5593 B12R0.5 N#CCCCSCCCCCCF 62a_100015922095_100000687738 [0,1,0,0,0,0|2,0,1]=4 5594 B12R0.5 N#CCCCSCCCCCCO 62a_100000687738_100000766143 [0,1,0,0,0,0|2,0,1]=4 5595 B12R0.5 N#CCCCSCCCCCCO 62a_100000766143_100000687738 [0,1,0,0,0,0|2,0,1]=4 5596 B12R0.5 N#CCCNCCCCCCCO 2230a_100011996573_100011215226 [0,1,0,0,0,0|2,0,1]=4 5597 B12R0.5 N#CCCOCCCCCCCBr 7a_100000760002_100000184422 [0,1,0,0,0,0|2,0,1]=4 5598 B12R0.5 N#CCCSCCCCCCCO 62a_100000760002_100011215226 [0,1,0,0,0,0|2,0,1]=4 5599 B12R0.5 N#CCCSCCCCCCCO 62a_100011215226_100000760002 [0,1,0,0,0,0|2,0,1]=4 5600 B12R0.5 N#CCNCCCCCCCCO 2230a_102515433106_100011215382 [0,1,0,0,0,0|2,0,1]=4 5601 B12R0.5 N#CCOCCCCCCCCBr 7a_100009813846_100011215382 [0,1,0,0,0,0|2,0,1]=4 5602 B12R0.5 N#CCOCCCCCCCCCl 7a_100000033203_100011215382 [0,1,0,0,0,0|2,0,1]=4 5603 B12R0.5 N#CCOCCSCCCCC=O 62a_100000139335_200000047693 [0,1,0,0,0,0|2,0,1]=4 5604 B12R0.5 N#CCOCCSCCCCC=O 62a_200000047693_100000139335 [0,1,0,0,0,0|2,0,1]=4 5605 B12R0.5 N#CCSCCCCCCCCO 62a_100000033203_100011215382 [0,1,0,0,0,0|2,0,1]=4 5606 B12R0.5 N#CCSCCCCCCCCO 62a_100011215382_100000033203 [0,1,0,0,0,0|2,0,1]=4 5607 B12R0.5 N#CSCCSCCCCCC=O 62a_100000034367_100000139337 [0,1,0,0,0,0|2,0,1]=4 5608 B12R0.5 N#CSCCSCCCCCC=O 62a_100000139337_100000034367 [0,1,0,0,0,0|2,0,1]=4 5609 B12R0.5 NCCCCCCCCCOCF 34a_100000078944_100015361967 [0,1,0,0,0,0|2,0,1]=4 5610 B12R0.5 NCCCCCCCCOCC=O 34a_102515433106_200009817547 [0,1,0,0,0,0|1,0,0]=2 5611 B12R0.5 NCCCCCCCCOCCF 34a_102515433106_100011217306 [0,1,0,0,0,0|2,0,1]=4 5612 B12R0.5 NCCCCCCCCOCCO 34a_102515433106_100000211926 [0,1,0,0,0,0|1,0,2]=4 5613 B12R0.5 NCCCCCCCOCCCF 34a_100011996573_100011934791 [0,1,0,0,0,0|2,0,1]=4 5614 B12R0.5 NCCCCCCCOCCCO 34a_100011996573_100000230001 [0,1,0,0,0,0|1,0,2]=4 5615 B12R0.5 NCCCCCCOCCCCF 34a_100000686447_100000729493 [0,1,0,0,0,0|2,0,1]=4 5616 B12R0.5 NCCCCCCOCCCCO 34a_100000686447_100011216708 [0,1,0,0,0,0|1,0,2]=4 5617 B12R0.5 NCCCCCOCCCCCF 34a_100000762737_100000729378 [0,1,0,0,0,0|2,0,1]=4 5618 B12R0.5 NCCCCCOCCCCCO 34a_100000762737_100000746330 [0,1,0,0,0,0|1,0,2]=4 5619 B12R0.5 NCCCCOCCCCCCF 34a_100000750430_100015922095 [0,1,0,0,0,0|2,0,1]=4 5620 B12R0.5 NCCCCOCCCCCCO 34a_100000750430_100000766143 [0,1,0,0,0,0|1,0,2]=4 5621 B12R0.5 NCCCOCCCCCCCO 34a_100000182051_100000760002 [0,1,0,0,0,0|1,0,2]=4 5622 B12R0.5 NCCNCCCCCOCC=O 34a_103619048469_200009817547 [0,1,0,0,0,0|2,0,0]=3 5623 B12R0.5 NCCOCCCCCCCCO 34a_100000210304_100000033203 [0,1,0,0,0,0|1,0,2]=4 5624 B12R0.5 NCCOCCOCCOCC=O 34a_100011998139_200009817547 [0,1,0,0,0,0|3,0,0]=4 5625 B12R0.5 NOCCOCCCCCCCO 34a_100000700252_100000760002 [0,1,0,0,0,0|3,0,0]=4 5626 B12R0.5 O=CCCCCCNCCCCO 2230a_100000750430_100000139337 [0,1,0,0,0,0|1,0,0]=2 5627 B12R0.5 O=CCCCCCOCCCCCl 7a_100000210776_100000139337 [0,1,0,0,0,0|1,0,0]=2 5628 B12R0.5 O=CCCCCCOCCCCF 7a_100011995726_100000139337 [0,1,0,0,0,0|1,0,0]=2 5629 B12R0.5 O=CCCCCCSCC#CCO 62a_100000139337_200000047223 [0,1,0,0,0,0|1,0,2]=4 5630 B12R0.5 O=CCCCCCSCC#CCO 62a_200000047223_100000139337 [0,1,0,0,0,0|1,0,2]=4 5631 B12R0.5 O=CCCCCCSCCCC=O 62a_100000139337_200011292268 [0,1,0,0,0,0|1,0,1]=3 5632 B12R0.5 O=CCCCCCSCCCC=O 62a_200011292268_100000139337 [0,1,0,0,0,0|1,0,1]=3 5633 B12R0.5 O=CCCCCCSCCCCF 62a_100000139337_100000729493 [0,1,0,0,0,0|1,0,0]=2 5634 B12R0.5 O=CCCCCCSCCCCF 62a_100000729493_100000139337 [0,1,0,0,0,0|1,0,0]=2 5635 B12R0.5 O=CCCCCCSCCCCO 62a_100000139337_100000210776 [0,1,0,0,0,0|1,0,0]=2 5636 B12R0.5 O=CCCCCCSCCCCO 62a_100000210776_100000139337 [0,1,0,0,0,0|1,0,0]=2 5637 B12R0.5 O=CCCCCNCCCCCO 2230a_100000762737_100000139335 [0,1,0,0,0,0|1,0,0]=2 5638 B12R0.5 O=CCCCCNCCOCCO 2230a_100000211614_100000139335 [0,1,0,0,0,0|2,0,0]=3 5639 B12R0.5 O=CCCCCNCCSCCO 2230a_100011219999_100000139335 [0,1,0,0,0,0|2,0,0]=3 5640 B12R0.5 O=CCCCCOCCCCCBr 7a_100000746331_100000139335 [0,1,0,0,0,0|1,0,0]=2 5641 B12R0.5 O=CCCCCOCCCCCCl 7a_100000746330_100000139335 [0,1,0,0,0,0|1,0,0]=2 5642 B12R0.5 O=CCCCCOCCCCCI 7a_200012148887_100000139335 [0,1,0,0,0,0|1,0,0]=2 5643 B12R0.5 O=CCCCCOCCOCCBr 7a_100000692535_100000139335 [0,1,0,0,0,0|2,0,0]=3 5644 B12R0.5 O=CCCCCOCCOCCCl 7a_100011215305_100000139335 [0,1,0,0,0,0|2,0,0]=3 5645 B12R0.5 O=CCCCCOCCOCCF 7a_200015357709_100000139335 [0,1,0,0,0,0|2,0,0]=3 5646 B12R0.5 O=CCCCCOCCOCCI 7a_100012149058_100000139335 [0,1,0,0,0,0|2,0,0]=3 5647 B12R0.5 O=CCCCCSCCCCC=O 62a_100000139335_100000139335 [0,1,0,0,0,0|1,0,1]=3 5648 B12R0.5 O=CCCCCSCCCCCF 62a_100000139335_100000729378 [0,1,0,0,0,0|1,0,0]=2 5649 B12R0.5 O=CCCCCSCCCCCF 62a_100000729378_100000139335 [0,1,0,0,0,0|1,0,0]=2 5650 B12R0.5 O=CCCCCSCCCCCO 62a_100000139335_100000746330 [0,1,0,0,0,0|1,0,0]=2 5651 B12R0.5 O=CCCCCSCCCCCO 62a_100000746330_100000139335 [0,1,0,0,0,0|1,0,0]=2 5652 B12R0.5 O=CCCCCSCCOCCO 62a_100000139335_100011215305 [0,1,0,0,0,0|2,0,0]=3 5653 B12R0.5 O=CCCCCSCCOCCO 62a_100011215305_100000139335 [0,1,0,0,0,0|2,0,0]=3 5654 B12R0.5 O=CCCCNCCCCCCO 2230a_100000686447_200011292268 [0,1,0,0,0,0|1,0,0]=2 5655 B12R0.5 O=CCCCOCCCCCCBr 7a_100011215345_200011292268 [0,1,0,0,0,0|1,0,0]=2 5656 B12R0.5 O=CCCCOCCCCCCCl 7a_100000766143_200011292268 [0,1,0,0,0,0|1,0,0]=2 5657 B12R0.5 O=CCCCOCCCCCCF 7a_100000732779_200011292268 [0,1,0,0,0,0|1,0,0]=2 5658 B12R0.5 O=CCCCSCCCCCCF 62a_100015922095_200011292268 [0,1,0,0,0,0|1,0,0]=2 5659 B12R0.5 O=CCCCSCCCCCCF 62a_200011292268_100015922095 [0,1,0,0,0,0|1,0,0]=2 5660 B12R0.5 O=CCCCSCCCCCCO 62a_100000766143_200011292268 [0,1,0,0,0,0|1,0,0]=2 5661 B12R0.5 O=CCCCSCCCCCCO 62a_200011292268_100000766143 [0,1,0,0,0,0|1,0,0]=2 5662 B12R0.5 O=CCNCCCCCCCCO 2230a_102515433106_200015260668 [0,1,0,0,0,0|1,0,0]=2 5663 B12R0.5 O=CCNCCCCCCCCO 34a_102515433106_200009817547 [0,1,0,0,0,0|1,0,0]=2 5664 B12R0.5 O=CCNCCOCCOCCO 2230a_100011998139_200015260668 [0,1,0,0,0,0|3,0,0]=4 5665 B12R0.5 O=CCNCCOCCOCCO 34a_100011998139_200009817547 [0,1,0,0,0,0|3,0,0]=4 5666 B12R0.5 O=CCOCCCCCCCCBr 34a_100009813846_200009817547 [0,1,0,0,0,0|1,0,0]=2 5667 B12R0.5 O=CCOCCCCCCCCBr 7a_100009813846_200015260668 [0,1,0,0,0,0|1,0,0]=2 5668 B12R0.5 O=CCOCCCCCCCCCl 34a_100000033203_200009817547 [0,1,0,0,0,0|1,0,0]=2 5669 B12R0.5 O=CCOCCCCCCCCCl 7a_100000033203_200015260668 [0,1,0,0,0,0|1,0,0]=2 5670 B12R0.5 O=CCOCCOCCOCCBr 34a_100010132937_200009817547 [0,1,0,0,0,0|3,0,0]=4 5671 B12R0.5 O=CCOCCOCCOCCBr 7a_100010132937_200015260668 [0,1,0,0,0,0|3,0,0]=4 5672 B12R0.5 O=CCOCCOCCOCCCl 34a_100000032323_200009817547 [0,1,0,0,0,0|3,0,0]=4 5673 B12R0.5 O=CCOCCOCCOCCCl 7a_100000032323_200015260668 [0,1,0,0,0,0|3,0,0]=4 5674 B12R0.5 O=CCSCCCCCCCCO 62a_100000033203_200015260668 [0,1,0,0,0,0|1,0,0]=2 5675 B12R0.5 O=CCSCCCCCCCCO 62a_200015260668_100000033203 [0,1,0,0,0,0|1,0,0]=2 5676 B12R0.5 O=CCSCCOCCOCCO 62a_100000032323_200015260668 [0,1,0,0,0,0|3,0,0]=4 5677 B12R0.5 O=CCSCCOCCOCCO 62a_200015260668_100000032323 [0,1,0,0,0,0|3,0,0]=4 5678 B12R0.5 OCCCCCCCCCNCF 34a_100000078944_100015361967 [0,1,0,0,0,0|1,0,2]=4 5679 B12R0.5 OCCCCCCCCCSCF 62a_100009813782_100015361967 [0,1,0,0,0,0|1,0,2]=4 5680 B12R0.5 OCCCCCCCCCSCF 62a_100015361967_100009813782 [0,1,0,0,0,0|1,0,2]=4 5681 B12R0.5 OCCCCCCCCNCCF 2230a_102515433106_100011217306 [0,1,0,0,0,0|1,0,2]=4 5682 B12R0.5 OCCCCCCCCNCCF 34a_100000724931_100000033203 [0,1,0,0,0,0|1,0,2]=4 5683 B12R0.5 OCCCCCCCCNCCF 34a_102515433106_100011217306 [0,1,0,0,0,0|1,0,2]=4 5684 B12R0.5 OCCCCCCCCNCCO 2230a_100016997473_100000033203 [0,1,0,0,0,0|1,0,2]=4 5685 B12R0.5 OCCCCCCCCNCCO 2230a_102515433106_100000211926 [0,1,0,0,0,0|1,0,2]=4 5686 B12R0.5 OCCCCCCCCNCCO 34a_100016990907_100000033203 [0,1,0,0,0,0|1,0,2]=4 5687 B12R0.5 OCCCCCCCCNCCO 34a_102515433106_100000211926 [0,1,0,0,0,0|1,0,2]=4 5688 B12R0.5 OCCCCCCCCOCCBr 34a_100000211926_100000033203 [0,1,0,0,0,0|1,0,2]=4 5689 B12R0.5 OCCCCCCCCSCCF 62a_100000033203_100011217306 [0,1,0,0,0,0|1,0,2]=4 5690 B12R0.5 OCCCCCCCCSCCF 62a_100011217306_100000033203 [0,1,0,0,0,0|1,0,2]=4 5691 B12R0.5 OCCCCCCCCSCCO 62a_100000033203_100000211926 [0,1,0,0,0,0|1,0,2]=4 5692 B12R0.5 OCCCCCCCCSCCO 62a_100000211926_100000033203 [0,1,0,0,0,0|1,0,2]=4 5693 B12R0.5 OCCCCCCCNCCCF 2230a_100011996573_100011934791 [0,1,0,0,0,0|1,0,2]=4 5694 B12R0.5 OCCCCCCCNCCCF 2230a_100015189416_100000760002 [0,1,0,0,0,0|1,0,2]=4 5695 B12R0.5 OCCCCCCCNCCCF 34a_100011996573_100011934791 [0,1,0,0,0,0|1,0,2]=4 5696 B12R0.5 OCCCCCCCNCCCF 34a_100015189416_100000760002 [0,1,0,0,0,0|1,0,2]=4 5697 B12R0.5 OCCCCCCCNCCCO 2230a_100011996573_100000230001 [0,1,0,0,0,0|1,0,2]=4 5698 B12R0.5 OCCCCCCCNCCCO 34a_100011996573_100000230001 [0,1,0,0,0,0|1,0,2]=4 5699 B12R0.5 OCCCCCCCOCCCBr 34a_100011217188_100000760002 [0,1,0,0,0,0|1,0,2]=4 5700 B12R0.5 OCCCCCCCOCCCCl 34a_100000230001_100000760002 [0,1,0,0,0,0|1,0,2]=4 5701 B12R0.5 OCCCCCCCOCCCF 34a_100000759539_100000760002 [0,1,0,0,0,0|1,0,2]=4 5702 B12R0.5 OCCCCCCCSCCCF 62a_100000760002_100011934791 [0,1,0,0,0,0|1,0,2]=4 5703 B12R0.5 OCCCCCCCSCCCF 62a_100011934791_100000760002 [0,1,0,0,0,0|1,0,2]=4 5704 B12R0.5 OCCCCCCCSCCCO 62a_100000760002_100011215043 [0,1,0,0,0,0|1,0,2]=4 5705 B12R0.5 OCCCCCCCSCCCO 62a_100011215043_100000760002 [0,1,0,0,0,0|1,0,2]=4 5706 B12R0.5 OCCCCCCNCCCCF 2230a_100000686447_100000729493 [0,1,0,0,0,0|1,0,2]=4 5707 B12R0.5 OCCCCCCNCCCCF 34a_100000686447_100000729493 [0,1,0,0,0,0|1,0,2]=4 5708 B12R0.5 OCCCCCCNCCCCO 2230a_100000686447_100000210776 [0,1,0,0,0,0|1,0,2]=4 5709 B12R0.5 OCCCCCCNCCCCO 2230a_100000750430_100000766143 [0,1,0,0,0,0|1,0,2]=4 5710 B12R0.5 OCCCCCCNCCCCO 34a_100000686447_100011216708 [0,1,0,0,0,0|1,0,2]=4 5711 B12R0.5 OCCCCCCNCCCCO 34a_100000750430_100000766143 [0,1,0,0,0,0|1,0,2]=4 5712 B12R0.5 OCCCCCCOCCCCBr 34a_100011216708_100000766143 [0,1,0,0,0,0|1,0,2]=4 5713 B12R0.5 OCCCCCCOCCCCCl 34a_100000210776_100000766143 [0,1,0,0,0,0|1,0,2]=4 5714 B12R0.5 OCCCCCCOCCCCCl 7a_100000210776_100000766143 [0,1,0,0,0,0|1,0,2]=4 5715 B12R0.5 OCCCCCCOCCCCF 34a_100011995726_100000766143 [0,1,0,0,0,0|1,0,2]=4 5716 B12R0.5 OCCCCCCOCCCCF 7a_100011995726_100000766143 [0,1,0,0,0,0|1,0,2]=4 5717 B12R0.5 OCCCCCCOCCCCI 34a_200012148704_100000766143 [0,1,0,0,0,0|1,0,2]=4 5718 B12R0.5 OCCCCCCSCCCCF 62a_100000729493_100000766143 [0,1,0,0,0,0|1,0,2]=4 5719 B12R0.5 OCCCCCCSCCCCF 62a_100000766143_100000729493 [0,1,0,0,0,0|1,0,2]=4 5720 B12R0.5 OCCCCCCSCCCCO 62a_100000210776_100000766143 [0,1,0,0,0,0|1,0,2]=4 5721 B12R0.5 OCCCCCCSCCCCO 62a_100000766143_100000210776 [0,1,0,0,0,0|1,0,2]=4 5722 B12R0.5 OCCCCCNCCCCCF 2230a_100000762737_100000729378 [0,1,0,0,0,0|1,0,2]=4 5723 B12R0.5 OCCCCCNCCCCCF 34a_100000762737_100000729378 [0,1,0,0,0,0|1,0,2]=4 5724 B12R0.5 OCCCCCNCCCCCO 2230a_100000762737_100000746330 [0,1,0,0,0,0|1,0,2]=4 5725 B12R0.5 OCCCCCNCCCCCO 34a_100000762737_100000746330 [0,1,0,0,0,0|1,0,2]=4 5726 B12R0.5 OCCCCCOCCCCCBr 34a_100000746331_100000746330 [0,1,0,0,0,0|1,0,2]=4 5727 B12R0.5 OCCCCCOCCCCCBr 7a_100000746331_100000746330 [0,1,0,0,0,0|1,0,2]=4 5728 B12R0.5 OCCCCCOCCCCCCl 34a_100000746330_100000746330 [0,1,0,0,0,0|1,0,2]=4 5729 B12R0.5 OCCCCCOCCCCCCl 7a_100000746330_100000746330 [0,1,0,0,0,0|1,0,2]=4 5730 B12R0.5 OCCCCCOCCCCCI 34a_200012148887_100000746330 [0,1,0,0,0,0|1,0,2]=4 5731 B12R0.5 OCCCCCOCCCCCI 7a_200012148887_100000746330 [0,1,0,0,0,0|1,0,2]=4 5732 B12R0.5 OCCCCCSCCCCCF 62a_100000729378_100000746330 [0,1,0,0,0,0|1,0,2]=4 5733 B12R0.5 OCCCCCSCCCCCF 62a_100000746330_100000729378 [0,1,0,0,0,0|1,0,2]=4 5734 B12R0.5 OCCCCCSCCCCCO 62a_100000746330_100000746330 [0,1,0,0,0,0|1,0,2]=4 5735 B12R0.5 OCCCCNCCCCCCF 2230a_100000750430_100015922095 [0,1,0,0,0,0|1,0,2]=4 5736 B12R0.5 OCCCCNCCCCCCF 34a_100000750430_100015922095 [0,1,0,0,0,0|1,0,2]=4 5737 B12R0.5 OCCCCOCCCCCCBr 34a_100011215345_100011216708 [0,1,0,0,0,0|1,0,2]=4 5738 B12R0.5 OCCCCOCCCCCCBr 7a_100011215345_100000210776 [0,1,0,0,0,0|1,0,2]=4 5739 B12R0.5 OCCCCOCCCCCCCl 34a_100000766143_100011216708 [0,1,0,0,0,0|1,0,2]=4 5740 B12R0.5 OCCCCOCCCCCCCl 7a_100000766143_100000210776 [0,1,0,0,0,0|1,0,2]=4 5741 B12R0.5 OCCCCOCCCCCCF 34a_100000732779_100011216708 [0,1,0,0,0,0|1,0,2]=4 5742 B12R0.5 OCCCCOCCCCCCF 7a_100000732779_100000210776 [0,1,0,0,0,0|1,0,2]=4 5743 B12R0.5 OCCCCSCCCCCCF 62a_100000210776_100015922095 [0,1,0,0,0,0|1,0,2]=4 5744 B12R0.5 OCCCCSCCCCCCF 62a_100015922095_100000210776 [0,1,0,0,0,0|1,0,2]=4 5745 B12R0.5 OCCCOCCCCCCCBr 34a_100000760002_100000230001 [0,1,0,0,0,0|1,0,2]=4 5746 B12R0.5 OCCCOCCCCCCCBr 7a_100000760002_100011215043 [0,1,0,0,0,0|1,0,2]=4 5747 B12R0.5 OCCOCCCCCCCCBr 34a_100009813846_100000211926 [0,1,0,0,0,0|1,0,2]=4 5748 B12R0.5 OCCOCCCCCCCCBr 7a_100009813846_100000211926 [0,1,0,0,0,0|1,0,2]=4 5749 B12R0.5 OCCOCCCCCCCCCl 34a_100000033203_100000211926 [0,1,0,0,0,0|1,0,2]=4 5750 B12R0.5 OCCOCCCCCCCCCl 7a_100000033203_100000211926 [0,1,0,0,0,0|1,0,2]=4 5751 B12R0.5 [13CH3]NCCCCCCCCCCO 2230a_100000066964_200025704644 [0,1,0,0,0,0|0,0,2]=3 5752 B12R0.5 [13CH3]NCCCCCCCCCCO 34a_100000066964_200025704644 [0,1,0,0,0,0|0,0,2]=3 5753 B12R0.5 [13CH3]OCCCCCCCCCCBr 34a_100009813290_200025704644 [0,1,0,0,0,0|1,0,1]=3 5754 B12R0.5 [13CH3]OCCCCCCCCCCBr 7a_100009813290_200025704644 [0,1,0,0,0,0|1,0,1]=3 5755 B12R0.5 [13CH3]OCCCCCCCCCCCl 34a_200000033068_200025704644 [0,1,0,0,0,0|1,0,1]=3 5756 B12R0.5 [13CH3]OCCCCCCCCCCCl 7a_200000033068_200025704644 [0,1,0,0,0,0|1,0,1]=3 5757 B12R0.5 [13CH3]OCCCCCCCCCCN 34a_100000066964_200025704644 [0,1,0,0,0,0|1,0,1]=3 5758 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_100009813290_200025704644 [0,1,0,0,0,0|0,0,2]=3 5759 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_200025704644_200000033068 [0,1,0,0,0,0|0,0,2]=3 5760 B12R0.5 [N-]=[N+]=NCCCCCCNCC=O 2230a_200000049180_200015260668 [0,1,0,0,0,0|3,0,0]=4 5761 B12R0.5 [N-]=[N+]=NCCCCNCCCC=O 2230a_100000101370_200011292268 [0,1,0,0,0,0|3,0,0]=4 5762 B12R0.5 [N-]=[N+]=NCCCNCCCCC=O 2230a_100000744732_100000139335 [0,1,0,0,0,0|3,0,0]=4 5763 B12R0.47 C#CCCCC(=O)CCCCCC 1458a_100000690238_100000210757 [0,1,0,0,0,0|1,0,2]=4 5764 B12R0.47 C#CCCCC(=O)CCCCCC 1458a_100102632555_100000731252 [0,1,0,0,0,0|1,0,2]=4 5765 B12R0.47 C#CCCCCC(=O)CCCCC 1458a_100000212188_100010269958 [0,1,0,0,0,0|1,0,2]=4 5766 B12R0.47 C#CCCCCC(=O)CCCCC 1458a_100000696528_100000210326 [0,1,0,0,0,0|1,0,2]=4 5767 B12R0.47 C#CCCCCN(C)CCCCC 2230a_100000223495_100010269958 [0,1,0,0,0,0|2,0,1]=4 5768 B12R0.47 C#CCCCCN(C)CCCCC 269982a_100000223495_100010269958 [0,1,0,0,0,0|2,0,1]=4 5769 B12R0.47 C#CCCCN(C)CCCCCC 2230a_106256046315_100000731252 [0,1,0,0,0,0|2,0,1]=4 5770 B12R0.47 C#CCCCN(C)CCCCCC 269982a_106256046315_100011215417 [0,1,0,0,0,0|2,0,1]=4 5771 B12R0.47 C#CCCCNC(C)CCCCC 2230a_100000211957_100000731252 [0,1,0,0,0,0|2,0,1]=4 5772 B12R0.47 C#CCCCNC(C)CCCCC 270004a_100000718082_100000211708 [0,1,0,0,0,0|2,0,1]=4 5773 B12R0.47 C#CCCCNC(C)CCCCC 34a_100000718082_200011218191 [0,1,0,0,0,0|2,0,1]=4 5774 B12R0.47 C#CCCCOC(C)CCCCC 34a_100000215630_200011218191 [0,1,0,0,0,0|2,0,1]=4 5775 B12R0.47 C#CCCCOC(C)CCCCC 34a_100011215632_100000695029 [0,1,0,0,0,0|2,0,1]=4 5776 B12R0.47 C#CCCCOC(C)CCCCC 7a_100000215630_200011218191 [0,1,0,0,0,0|2,0,1]=4 5777 B12R0.47 C#CCCCOC(C)CCCCC 7a_100011215632_100011215417 [0,1,0,0,0,0|2,0,1]=4 5778 B12R0.47 C#CCCCSC(C)CCCCC 62a_100011215417_200011218191 [0,1,0,0,0,0|2,0,1]=4 5779 B12R0.47 C#CCCCSC(C)CCCCC 62a_200011218191_100011215417 [0,1,0,0,0,0|2,0,1]=4 5780 B12R0.47 C#CCCNC(C)CCCCCC 2230a_100000210919_100000688953 [0,1,0,0,0,0|2,0,1]=4 5781 B12R0.47 C#CCCNC(C)CCCCCC 34a_100000210919_100000688953 [0,1,0,0,0,0|2,0,1]=4 5782 B12R0.47 C#CCCNC(C)CCCCCC 34a_100000755551_100011215978 [0,1,0,0,0,0|2,0,1]=4 5783 B12R0.47 C#CCCOC(C)CCCCCC 34a_100000210265_100000688953 [0,1,0,0,0,0|2,0,1]=4 5784 B12R0.47 C#CCCOC(C)CCCCCC 34a_100011215631_100011215978 [0,1,0,0,0,0|2,0,1]=4 5785 B12R0.47 C#CCCOC(C)CCCCCC 7a_100000210265_100000688953 [0,1,0,0,0,0|2,0,1]=4 5786 B12R0.47 C#CCCSC(C)CCCCCC 62a_100000688953_100011215978 [0,1,0,0,0,0|2,0,1]=4 5787 B12R0.47 C#CCCSC(C)CCCCCC 62a_100011215978_100000688953 [0,1,0,0,0,0|2,0,1]=4 5788 B12R0.47 C/C=C/CCOC(C)CCCCC 34a_100016278192_200011218191 [0,1,0,0,0,0|2,0,1]=4 5789 B12R0.47 C/C=C/CNC(C)CCCCCC 34a_100000210919_100102629194 [0,1,0,0,0,0|2,0,1]=4 5790 B12R0.47 C/C=C/COC(C)CCCCCC 34a_100000210265_100102629194 [0,1,0,0,0,0|2,0,1]=4 5791 B12R0.47 C/C=C/COC(C)CCCCCC 34a_100016270725_100011215978 [0,1,0,0,0,0|2,0,1]=4 5792 B12R0.47 C/C=C/COC(C)CCCCCC 7a_100000210265_100102629194 [0,1,0,0,0,0|2,0,1]=4 5793 B12R0.47 C/C=C/CSC(C)CCCCCC 62a_100011215978_100102629194 [0,1,0,0,0,0|2,0,1]=4 5794 B12R0.47 C/C=C/CSC(C)CCCCCC 62a_100102629194_100011215978 [0,1,0,0,0,0|2,0,1]=4 5795 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100000766728_100000210757 [0,1,0,0,0,0|1,0,1]=3 5796 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100102632555_100000757094 [0,1,0,0,0,0|1,0,1]=3 5797 B12R0.47 C=CCCCC(=O)CCCCCF 1458a_100000766728_100000729378 [0,1,0,0,0,0|2,0,1]=4 5798 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100000766728_100000746330 [0,1,0,0,0,0|2,0,1]=4 5799 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100102619762_100000757094 [0,1,0,0,0,0|2,0,1]=4 5800 B12R0.47 C=CCCCC(=O)CCCCOC 1458a_100000766728_100000755781 [0,1,0,0,0,0|2,0,1]=4 5801 B12R0.47 C=CCCCC(=O)CCCOCC 1458a_100000766728_100012232248 [0,1,0,0,0,0|2,0,1]=4 5802 B12R0.47 C=CCCCC(=O)CCOCCC 1458a_100000766728_100011215938 [0,1,0,0,0,0|2,0,1]=4 5803 B12R0.47 C=CCCCC(=O)COCCCC 1458a_100000757543_100000757094 [0,1,0,0,0,0|2,0,1]=4 5804 B12R0.47 C=CCCCC(=O)COCCCC 1458a_100000766728_100011995733 [0,1,0,0,0,0|2,0,1]=4 5805 B12R0.47 C=CCCCC(=O)CSCCCC 1458a_100000191162_100000757094 [0,1,0,0,0,0|2,0,1]=4 5806 B12R0.47 C=CCCCC(=O)NCCCCC 11a_100000209983_100000766728 [0,1,0,0,0,0|2,0,1]=4 5807 B12R0.47 C=CCCCC(=O)NCCCCC 1626a_100000209983_100000766728 [0,1,0,0,0,0|2,0,1]=4 5808 B12R0.47 C=CCCCC(=O)NCCCCC 240690a_100000209983_100000766728 [0,1,0,0,0,0|2,0,1]=4 5809 B12R0.47 C=CCCCC(=O)NCCCCC 527a_100000209983_100000766728 [0,1,0,0,0,0|2,0,1]=4 5810 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100000212188_100011215482 [0,1,0,0,0,0|1,0,1]=3 5811 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100011215552_100000210326 [0,1,0,0,0,0|1,0,1]=3 5812 B12R0.47 C=CCCCCC(=O)CCCCF 1458a_100011215552_100000729493 [0,1,0,0,0,0|2,0,1]=4 5813 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100000695505_100011215482 [0,1,0,0,0,0|2,0,1]=4 5814 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100011215552_100000210776 [0,1,0,0,0,0|2,0,1]=4 5815 B12R0.47 C=CCCCCC(=O)CCCOC 1458a_100000741012_100011215482 [0,1,0,0,0,0|2,0,1]=4 5816 B12R0.47 C=CCCCCC(=O)CCCOC 1458a_100011215552_100000740836 [0,1,0,0,0,0|2,0,1]=4 5817 B12R0.47 C=CCCCCC(=O)CCCSC 1458a_100000173376_100011215482 [0,1,0,0,0,0|2,0,1]=4 5818 B12R0.47 C=CCCCCC(=O)CCOCC 1458a_100000749530_100011215482 [0,1,0,0,0,0|2,0,1]=4 5819 B12R0.47 C=CCCCCC(=O)CCOCC 1458a_100011215552_100011215890 [0,1,0,0,0,0|2,0,1]=4 5820 B12R0.47 C=CCCCCC(=O)CCSCC 1458a_100000230768_100011215482 [0,1,0,0,0,0|2,0,1]=4 5821 B12R0.47 C=CCCCCC(=O)CCSCC 1458a_100011215552_100000757381 [0,1,0,0,0,0|2,0,1]=4 5822 B12R0.47 C=CCCCCC(=O)COCCC 1458a_100000745993_100011215482 [0,1,0,0,0,0|2,0,1]=4 5823 B12R0.47 C=CCCCCC(=O)CSCCC 1458a_100000217233_100011215482 [0,1,0,0,0,0|2,0,1]=4 5824 B12R0.47 C=CCCCCC(=O)NCCCC 11a_100000102301_100011215552 [0,1,0,0,0,0|2,0,1]=4 5825 B12R0.47 C=CCCCCC(=O)NCCCC 1626a_100000102301_100011215552 [0,1,0,0,0,0|2,0,1]=4 5826 B12R0.47 C=CCCCCC(=O)NCCCC 240690a_100000102301_100011215552 [0,1,0,0,0,0|2,0,1]=4 5827 B12R0.47 C=CCCCCC(=O)NCCCC 527a_100000102301_100011215552 [0,1,0,0,0,0|2,0,1]=4 5828 B12R0.47 C=CCCCCN(C)CCCC=O 2230a_100012000471_200011292268 [0,1,0,0,0,0|1,0,2]=4 5829 B12R0.47 C=CCCCCN(C)CCCC=O 269982a_100012000471_200011292268 [0,1,0,0,0,0|1,0,2]=4 5830 B12R0.47 C=CCCCCN(C)CCCCC 2230a_100000223495_100011215482 [0,1,0,0,0,0|2,0,0]=3 5831 B12R0.47 C=CCCCCN(C)CCCCC 2230a_100012000471_100000210326 [0,1,0,0,0,0|2,0,0]=3 5832 B12R0.47 C=CCCCCN(C)CCCCC 269982a_100000223495_100011215482 [0,1,0,0,0,0|2,0,0]=3 5833 B12R0.47 C=CCCCCN(C)CCCCC 269982a_100012000471_100000210215 [0,1,0,0,0,0|2,0,0]=3 5834 B12R0.47 C=CCCCCN(C)CCCCF 2230a_100012000471_100000729493 [0,1,0,0,0,0|3,0,0]=4 5835 B12R0.47 C=CCCCCN(C)CCCCF 269982a_100012000471_100000729493 [0,1,0,0,0,0|3,0,0]=4 5836 B12R0.47 C=CCCCCN(C)CCCCO 2230a_100000717598_100011215482 [0,1,0,0,0,0|3,0,0]=4 5837 B12R0.47 C=CCCCCN(C)CCCCO 2230a_100012000471_100000210776 [0,1,0,0,0,0|3,0,0]=4 5838 B12R0.47 C=CCCCCN(C)CCCCO 269982a_100000717598_100011215482 [0,1,0,0,0,0|3,0,0]=4 5839 B12R0.47 C=CCCCCN(C)CCCCO 269982a_100012000471_100000210776 [0,1,0,0,0,0|3,0,0]=4 5840 B12R0.47 C=CCCCCN(C)CCCOC 2230a_100000224831_100011215482 [0,1,0,0,0,0|3,0,0]=4 5841 B12R0.47 C=CCCCCN(C)CCCOC 2230a_100012000471_100000740836 [0,1,0,0,0,0|3,0,0]=4 5842 B12R0.47 C=CCCCCN(C)CCCOC 269982a_100000224831_100011215482 [0,1,0,0,0,0|3,0,0]=4 5843 B12R0.47 C=CCCCCN(C)CCCOC 269982a_100012000471_100000740836 [0,1,0,0,0,0|3,0,0]=4 5844 B12R0.47 C=CCCCCN(C)CCOCC 2230a_100012000471_100011215890 [0,1,0,0,0,0|3,0,0]=4 5845 B12R0.47 C=CCCCCN(C)CCOCC 269982a_100012000471_100011215890 [0,1,0,0,0,0|3,0,0]=4 5846 B12R0.47 C=CCCCCN(C)CCSCC 2230a_100012000471_100000757381 [0,1,0,0,0,0|3,0,0]=4 5847 B12R0.47 C=CCCCCN(C)CCSCC 269982a_100012000471_100000757381 [0,1,0,0,0,0|3,0,0]=4 5848 B12R0.47 C=CCCCN(C)CCCCCC 2230a_106256046315_100011713584 [0,1,0,0,0,0|2,0,0]=3 5849 B12R0.47 C=CCCCN(C)CCCCCC 269982a_106256046315_100000757094 [0,1,0,0,0,0|2,0,0]=3 5850 B12R0.47 C=CCCCN(C)CCCCCO 2230a_100000722520_100011713584 [0,1,0,0,0,0|3,0,0]=4 5851 B12R0.47 C=CCCCN(C)CCCCCO 269982a_100000722520_100000757094 [0,1,0,0,0,0|3,0,0]=4 5852 B12R0.47 C=CCCCNC(=O)CCCCC 11a_100000700776_100000212188 [0,1,0,0,0,0|2,0,1]=4 5853 B12R0.47 C=CCCCNC(=O)CCCCC 1626a_100000700776_100000212188 [0,1,0,0,0,0|2,0,1]=4 5854 B12R0.47 C=CCCCNC(=O)CCCCC 240690a_100000700776_100000212188 [0,1,0,0,0,0|2,0,1]=4 5855 B12R0.47 C=CCCCNC(=O)CCCCC 527a_100000700776_100000212188 [0,1,0,0,0,0|2,0,1]=4 5856 B12R0.47 C=CCCCNC(C)CCCCC 2230a_100000211957_100011713584 [0,1,0,0,0,0|2,0,0]=3 5857 B12R0.47 C=CCCCNC(C)CCCCC 2230a_100000700776_200011218191 [0,1,0,0,0,0|2,0,0]=3 5858 B12R0.47 C=CCCCNC(C)CCCCC 270004a_100000700776_100000211708 [0,1,0,0,0,0|2,0,0]=3 5859 B12R0.47 C=CCCCNC(C)CCCCC 34a_100000700776_200011218191 [0,1,0,0,0,0|2,0,0]=3 5860 B12R0.47 C=CCCCNC(C)CCCSC 270004a_100000700776_100011399439 [0,1,0,0,0,0|3,0,0]=4 5861 B12R0.47 C=CCCCNC(C)CCOCC 270004a_100000700776_200011216536 [0,1,0,0,0,0|3,0,0]=4 5862 B12R0.47 C=CCCCNC(C)CSCCC 270004a_100000700776_100011343953 [0,1,0,0,0,0|3,0,0]=4 5863 B12R0.47 C=CCCCOC(C)CCCCC 34a_100000758997_200011218191 [0,1,0,0,0,0|2,0,0]=3 5864 B12R0.47 C=CCCCOC(C)CCCCC 34a_100011215632_100000757094 [0,1,0,0,0,0|2,0,0]=3 5865 B12R0.47 C=CCCCOC(C)CCCCC 7a_100000758997_200011218191 [0,1,0,0,0,0|2,0,0]=3 5866 B12R0.47 C=CCCCOC(C)CCCCC 7a_100011215632_100000757094 [0,1,0,0,0,0|2,0,0]=3 5867 B12R0.47 C=CCCCOC(C)CCCOC 34a_200011539412_100000757094 [0,1,0,0,0,0|3,0,0]=4 5868 B12R0.47 C=CCCCOC(C)CCCOC 7a_200011539412_100000757094 [0,1,0,0,0,0|3,0,0]=4 5869 B12R0.47 C=CCCCSC(C)CCCCC 62a_100011713584_200011218191 [0,1,0,0,0,0|2,0,0]=3 5870 B12R0.47 C=CCCCSC(C)CCCCC 62a_200011218191_100000757094 [0,1,0,0,0,0|2,0,0]=3 5871 B12R0.47 C=CCCNC(=O)CCCCCC 11a_100015191253_100102632555 [0,1,0,0,0,0|2,0,1]=4 5872 B12R0.47 C=CCCNC(=O)CCCCCC 1626a_100015191253_100102632555 [0,1,0,0,0,0|2,0,1]=4 5873 B12R0.47 C=CCCNC(=O)CCCCCC 240690a_100015191253_100102632555 [0,1,0,0,0,0|2,0,1]=4 5874 B12R0.47 C=CCCNC(=O)CCCCCC 527a_100015191253_100102632555 [0,1,0,0,0,0|2,0,1]=4 5875 B12R0.47 C=CCCNC(C)CCCCCC 2230a_100000210919_100000754431 [0,1,0,0,0,0|2,0,0]=3 5876 B12R0.47 C=CCCNC(C)CCCCCC 2230a_100015191253_100011215978 [0,1,0,0,0,0|2,0,0]=3 5877 B12R0.47 C=CCCNC(C)CCCCCC 270004a_100015191253_100000210826 [0,1,0,0,0,0|2,0,0]=3 5878 B12R0.47 C=CCCNC(C)CCCCCC 34a_100000210919_100000754431 [0,1,0,0,0,0|2,0,0]=3 5879 B12R0.47 C=CCCNCC(=O)CCCCC 2230a_100015191253_200012276598 [0,1,0,0,0,0|2,0,1]=4 5880 B12R0.47 C=CCCOC(C)CCCCCC 34a_100000210265_100000754431 [0,1,0,0,0,0|2,0,0]=3 5881 B12R0.47 C=CCCOC(C)CCCCCC 34a_100011205117_100011215978 [0,1,0,0,0,0|2,0,0]=3 5882 B12R0.47 C=CCCOC(C)CCCCCC 7a_100000210265_100000754431 [0,1,0,0,0,0|2,0,0]=3 5883 B12R0.47 C=CCCOC(C)COCCCC 34a_100011217071_100000754431 [0,1,0,0,0,0|3,0,0]=4 5884 B12R0.47 C=CCCOC(C)COCCCC 7a_100011217071_100000754431 [0,1,0,0,0,0|3,0,0]=4 5885 B12R0.47 C=CCCOCC(=O)CCCCC 34a_100011205117_200012276598 [0,1,0,0,0,0|2,0,1]=4 5886 B12R0.47 C=CCCOC[C@@H](N)CCCCN 34a_100016993712_100000754431 [0,1,0,0,0,0|3,0,0]=4 5887 B12R0.47 C=CCCSC(C)CCCCCC 62a_100000754431_100011215978 [0,1,0,0,0,0|2,0,0]=3 5888 B12R0.47 C=CCCSC(C)CCCCCC 62a_100011215978_100000754431 [0,1,0,0,0,0|2,0,0]=3 5889 B12R0.47 C=CCCSCC(=O)CCCCC 62a_100000754431_200012276598 [0,1,0,0,0,0|2,0,1]=4 5890 B12R0.47 C=CCCSCC(=O)CCCCC 62a_200012276598_100000754431 [0,1,0,0,0,0|2,0,1]=4 5891 B12R0.47 C=CCOCCC(=O)CCCCC 1458a_200011217002_100000210326 [0,1,0,0,0,0|2,0,1]=4 5892 B12R0.47 C=CCSCC(=O)CCCCCC 1458a_100000230395_100000210757 [0,1,0,0,0,0|2,0,1]=4 5893 B12R0.47 C=COCCC(=O)CCCCCC 1458a_100102632555_100000039644 [0,1,0,0,0,0|2,0,1]=4 5894 B12R0.47 C=COCCN(C)CCCCCC 2230a_106256046315_100000039644 [0,1,0,0,0,0|3,0,0]=4 5895 B12R0.47 C=COCCN(C)CCCCCC 269982a_106256046315_100000039644 [0,1,0,0,0,0|3,0,0]=4 5896 B12R0.47 C=COCCNC(C)CCCCC 2230a_100000211957_100000039644 [0,1,0,0,0,0|3,0,0]=4 5897 B12R0.47 C=COCCOC(C)CCCCC 34a_100000033082_200011218191 [0,1,0,0,0,0|3,0,0]=4 5898 B12R0.47 C=COCCOC(C)CCCCC 34a_100011215632_100000039644 [0,1,0,0,0,0|3,0,0]=4 5899 B12R0.47 C=COCCOC(C)CCCCC 7a_100011215632_100000039644 [0,1,0,0,0,0|3,0,0]=4 5900 B12R0.47 C=COCCSC(C)CCCCC 62a_100000039644_200011218191 [0,1,0,0,0,0|3,0,0]=4 5901 B12R0.47 C=COCCSC(C)CCCCC 62a_200011218191_100000039644 [0,1,0,0,0,0|3,0,0]=4 5902 B12R0.47 CC=CCNC(C)CCCCCC 2230a_100000210919_100000070051 [0,1,0,0,0,0|2,0,1]=4 5903 B12R0.47 CC=CCNC(C)CCCCCC 34a_100000210919_100000070051 [0,1,0,0,0,0|2,0,1]=4 5904 B12R0.47 CC=CCOC(C)CCCCCC 34a_100000210265_100000070051 [0,1,0,0,0,0|2,0,1]=4 5905 B12R0.47 CC=CCOC(C)CCCCCC 7a_100000210265_100000070051 [0,1,0,0,0,0|2,0,1]=4 5906 B12R0.47 CC=CCSC(C)CCCCCC 62a_100000070051_100011215978 [0,1,0,0,0,0|2,0,1]=4 5907 B12R0.47 CC=CCSC(C)CCCCCC 62a_100011215978_100000070051 [0,1,0,0,0,0|2,0,1]=4 5908 B12R0.47 CCC#CCC(C)OCCCC=O 7a_200000035118_200011292268 [0,1,0,0,0,0|1,0,2]=4 5909 B12R0.47 CCCCCC(=O)CCCCC#N 1458a_100000212188_100000211819 [0,1,0,0,0,0|1,0,2]=4 5910 B12R0.47 CCCCCC(=O)CCCCCF 1458a_100000212188_100000729378 [0,1,0,0,0,0|1,0,2]=4 5911 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100000212188_100000746330 [0,1,0,0,0,0|0,0,3]=4 5912 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100102619762_100000210326 [0,1,0,0,0,0|0,0,3]=4 5913 B12R0.47 CCCCCC(=O)CCCCOC 1458a_100000212188_100000755781 [0,1,0,0,0,0|2,0,1]=4 5914 B12R0.47 CCCCCC(C)NCCCC#N 2230a_100000211957_100000687738 [0,1,0,0,0,0|2,0,1]=4 5915 B12R0.47 CCCCCC(C)NCCCC=O 2230a_100000211957_200011292268 [0,1,0,0,0,0|1,0,0]=2 5916 B12R0.47 CCCCCC(C)NCCCCF 2230a_100000211957_100000729493 [0,1,0,0,0,0|2,0,1]=4 5917 B12R0.47 CCCCCC(C)NCCCCO 2230a_100000211957_100000210776 [0,1,0,0,0,0|1,0,2]=4 5918 B12R0.47 CCCCCC(C)NCCCCO 2230a_100000750430_200011218191 [0,1,0,0,0,0|1,0,2]=4 5919 B12R0.47 CCCCCC(C)NCCCCO 270004a_100000750430_100000211708 [0,1,0,0,0,0|1,0,2]=4 5920 B12R0.47 CCCCCC(C)NCCCCO 34a_100000750430_200011218191 [0,1,0,0,0,0|1,0,2]=4 5921 B12R0.47 CCCCCC(C)NCCCOC 2230a_100000211957_100000740836 [0,1,0,0,0,0|3,0,0]=4 5922 B12R0.47 CCCCCC(C)NCCCOC 270004a_100150723488_100000211708 [0,1,0,0,0,0|3,0,0]=4 5923 B12R0.47 CCCCCC(C)NCCCOC 34a_100150723488_200011218191 [0,1,0,0,0,0|3,0,0]=4 5924 B12R0.47 CCCCCC(C)NCCCSC 2230a_100000749238_200011218191 [0,1,0,0,0,0|3,0,0]=4 5925 B12R0.47 CCCCCC(C)NCCCSC 270004a_100000749238_100000211708 [0,1,0,0,0,0|3,0,0]=4 5926 B12R0.47 CCCCCC(C)OCCCC#N 7a_100011215632_100000687738 [0,1,0,0,0,0|2,0,1]=4 5927 B12R0.47 CCCCCC(C)OCCCC=O 7a_100011215632_200011292268 [0,1,0,0,0,0|1,0,0]=2 5928 B12R0.47 CCCCCC(C)OCCCCBr 34a_100011216708_200011218191 [0,1,0,0,0,0|2,0,1]=4 5929 B12R0.47 CCCCCC(C)OCCCCCl 34a_100000210776_200011218191 [0,1,0,0,0,0|2,0,1]=4 5930 B12R0.47 CCCCCC(C)OCCCCCl 7a_100000210776_200011218191 [0,1,0,0,0,0|2,0,1]=4 5931 B12R0.47 CCCCCC(C)OCCCCF 34a_100011215632_100000729493 [0,1,0,0,0,0|2,0,1]=4 5932 B12R0.47 CCCCCC(C)OCCCCF 34a_100011995726_200011218191 [0,1,0,0,0,0|2,0,1]=4 5933 B12R0.47 CCCCCC(C)OCCCCF 7a_100011215632_100000729493 [0,1,0,0,0,0|2,0,1]=4 5934 B12R0.47 CCCCCC(C)OCCCCF 7a_100011995726_200011218191 [0,1,0,0,0,0|2,0,1]=4 5935 B12R0.47 CCCCCC(C)OCCCCI 34a_200012148704_200011218191 [0,1,0,0,0,0|2,0,1]=4 5936 B12R0.47 CCCCCC(C)OCCCCN 34a_100000750430_200011218191 [0,1,0,0,0,0|2,0,1]=4 5937 B12R0.47 CCCCCC(C)OCCCCO 34a_100011215632_100011216708 [0,1,0,0,0,0|1,0,2]=4 5938 B12R0.47 CCCCCC(C)OCCCCO 7a_100011215632_100000210776 [0,1,0,0,0,0|1,0,2]=4 5939 B12R0.47 CCCCCC(C)OCCCNC 34a_100000213112_200011218191 [0,1,0,0,0,0|3,0,0]=4 5940 B12R0.47 CCCCCC(C)OCCCOC 34a_100000740835_200011218191 [0,1,0,0,0,0|3,0,0]=4 5941 B12R0.47 CCCCCC(C)OCCCOC 34a_100011215632_100000740836 [0,1,0,0,0,0|3,0,0]=4 5942 B12R0.47 CCCCCC(C)OCCCOC 7a_100011215632_100000740836 [0,1,0,0,0,0|3,0,0]=4 5943 B12R0.47 CCCCCC(C)OCCCSC 34a_100000690336_200011218191 [0,1,0,0,0,0|3,0,0]=4 5944 B12R0.47 CCCCCC(C)OCCCSC 7a_100000690336_200011218191 [0,1,0,0,0,0|3,0,0]=4 5945 B12R0.47 CCCCCC(C)SCCCC#N 62a_100000687738_200011218191 [0,1,0,0,0,0|2,0,1]=4 5946 B12R0.47 CCCCCC(C)SCCCC#N 62a_200011218191_100000687738 [0,1,0,0,0,0|2,0,1]=4 5947 B12R0.47 CCCCCC(C)SCCCC=O 62a_200011218191_200011292268 [0,1,0,0,0,0|1,0,0]=2 5948 B12R0.47 CCCCCC(C)SCCCC=O 62a_200011292268_200011218191 [0,1,0,0,0,0|1,0,0]=2 5949 B12R0.47 CCCCCC(C)SCCCCF 62a_100000729493_200011218191 [0,1,0,0,0,0|2,0,1]=4 5950 B12R0.47 CCCCCC(C)SCCCCF 62a_200011218191_100000729493 [0,1,0,0,0,0|2,0,1]=4 5951 B12R0.47 CCCCCC(C)SCCCCO 62a_100000210776_200011218191 [0,1,0,0,0,0|1,0,2]=4 5952 B12R0.47 CCCCCC(C)SCCCCO 62a_200011218191_100000210776 [0,1,0,0,0,0|1,0,2]=4 5953 B12R0.47 CCCCCC(C)SCCCOC 62a_100000709357_200011218191 [0,1,0,0,0,0|3,0,0]=4 5954 B12R0.47 CCCCCC(C)SCCCOC 62a_200011218191_100000709357 [0,1,0,0,0,0|3,0,0]=4 5955 B12R0.47 CCCCCCC(=O)CCCC#N 1458a_100000075515_100000210757 [0,1,0,0,0,0|1,0,2]=4 5956 B12R0.47 CCCCCCC(=O)CCCC#N 1458a_100102632555_100000211468 [0,1,0,0,0,0|1,0,2]=4 5957 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100000212188_100000210757 [0,1,0,0,0,0|1,0,2]=4 5958 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100102632555_100000210326 [0,1,0,0,0,0|1,0,2]=4 5959 B12R0.47 CCCCCCC(=O)CCCCF 1458a_100102632555_100000729493 [0,1,0,0,0,0|1,0,2]=4 5960 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100000695505_100000210757 [0,1,0,0,0,0|0,0,3]=4 5961 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100102632555_100000210776 [0,1,0,0,0,0|0,0,3]=4 5962 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100000741012_100000210757 [0,1,0,0,0,0|2,0,1]=4 5963 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100102632555_100000740836 [0,1,0,0,0,0|2,0,1]=4 5964 B12R0.47 CCCCCCC(=O)CCCSC 1458a_100000173376_100000210757 [0,1,0,0,0,0|2,0,1]=4 5965 B12R0.47 CCCCCCC(C)CCOCC 34a_200011024964_100000210202 [0,1,0,0,0,0|2,0,1]=4 5966 B12R0.47 CCCCCCC(C)CCOCC 7a_200011024964_100000210202 [0,1,0,0,0,0|2,0,1]=4 5967 B12R0.47 CCCCCCC(C)CCOCF 34a_200011024964_100015361967 [0,1,0,0,0,0|2,0,1]=4 5968 B12R0.47 CCCCCCC(C)CCOCF 7a_200011024964_100015361967 [0,1,0,0,0,0|2,0,1]=4 5969 B12R0.47 CCCCCCC(C)NCCC#N 2230a_100000210919_100011215226 [0,1,0,0,0,0|2,0,1]=4 5970 B12R0.47 CCCCCCC(C)NCCC#N 270004a_100000720768_100000210826 [0,1,0,0,0,0|2,0,1]=4 5971 B12R0.47 CCCCCCC(C)NCCCC 2230a_100000102301_100011215978 [0,1,0,0,0,0|2,0,1]=4 5972 B12R0.47 CCCCCCC(C)NCCCC 2230a_100000210919_100000210211 [0,1,0,0,0,0|2,0,1]=4 5973 B12R0.47 CCCCCCC(C)NCCCC 270004a_100000102301_100000210826 [0,1,0,0,0,0|2,0,1]=4 5974 B12R0.47 CCCCCCC(C)NCCCC 34a_100000210919_100000210210 [0,1,0,0,0,0|2,0,1]=4 5975 B12R0.47 CCCCCCC(C)NCCCC 7a_106832991798_100011215978 [0,1,0,0,0,0|2,0,1]=4 5976 B12R0.47 CCCCCCC(C)NCCCF 2230a_100000210919_100011934791 [0,1,0,0,0,0|2,0,1]=4 5977 B12R0.47 CCCCCCC(C)NCCCF 2230a_100015189416_100011215978 [0,1,0,0,0,0|2,0,1]=4 5978 B12R0.47 CCCCCCC(C)NCCCF 270004a_100015189416_100000210826 [0,1,0,0,0,0|2,0,1]=4 5979 B12R0.47 CCCCCCC(C)NCCCF 34a_100000210919_100011934791 [0,1,0,0,0,0|2,0,1]=4 5980 B12R0.47 CCCCCCC(C)NCCCF 34a_100015189416_100011215978 [0,1,0,0,0,0|2,0,1]=4 5981 B12R0.47 CCCCCCC(C)NCCCO 2230a_100000210919_100000230001 [0,1,0,0,0,0|1,0,2]=4 5982 B12R0.47 CCCCCCC(C)NCCCO 270004a_100000182051_100000210826 [0,1,0,0,0,0|1,0,2]=4 5983 B12R0.47 CCCCCCC(C)NCCCO 34a_100000210919_100000230001 [0,1,0,0,0,0|1,0,2]=4 5984 B12R0.47 CCCCCCC(C)NCCOC 2230a_100000209980_100011215978 [0,1,0,0,0,0|3,0,0]=4 5985 B12R0.47 CCCCCCC(C)NCCOC 2230a_100000210919_100011201679 [0,1,0,0,0,0|3,0,0]=4 5986 B12R0.47 CCCCCCC(C)NCCOC 270004a_100000209980_100000210826 [0,1,0,0,0,0|3,0,0]=4 5987 B12R0.47 CCCCCCC(C)NCCOC 34a_100000210919_100011201679 [0,1,0,0,0,0|3,0,0]=4 5988 B12R0.47 CCCCCCC(C)NCCSC 2230a_100000210919_100000751147 [0,1,0,0,0,0|3,0,0]=4 5989 B12R0.47 CCCCCCC(C)NCCSC 2230a_100020590264_100011215978 [0,1,0,0,0,0|3,0,0]=4 5990 B12R0.47 CCCCCCC(C)NCCSC 270004a_100020590264_100000210826 [0,1,0,0,0,0|3,0,0]=4 5991 B12R0.47 CCCCCCC(C)NCCSC 34a_100000210919_100000212216 [0,1,0,0,0,0|3,0,0]=4 5992 B12R0.47 CCCCCCC(C)OCCC#N 7a_100000210265_100000184422 [0,1,0,0,0,0|2,0,1]=4 5993 B12R0.47 CCCCCCC(C)OCCCBr 34a_100011217188_100011215978 [0,1,0,0,0,0|2,0,1]=4 5994 B12R0.47 CCCCCCC(C)OCCCC 34a_100000210227_100011215978 [0,1,0,0,0,0|2,0,1]=4 5995 B12R0.47 CCCCCCC(C)OCCCC 34a_100000210265_100000210210 [0,1,0,0,0,0|2,0,1]=4 5996 B12R0.47 CCCCCCC(C)OCCCC 7a_100000210227_100011215978 [0,1,0,0,0,0|2,0,1]=4 5997 B12R0.47 CCCCCCC(C)OCCCC 7a_100000210265_100000210211 [0,1,0,0,0,0|2,0,1]=4 5998 B12R0.47 CCCCCCC(C)OCCCCl 34a_100000230001_100011215978 [0,1,0,0,0,0|2,0,1]=4 5999 B12R0.47 CCCCCCC(C)OCCCF 34a_100000210265_100011934791 [0,1,0,0,0,0|2,0,1]=4 6000 B12R0.47 CCCCCCC(C)OCCCF 34a_100000759539_100011215978 [0,1,0,0,0,0|2,0,1]=4 6001 B12R0.47 CCCCCCC(C)OCCCF 7a_100000210265_100011934791 [0,1,0,0,0,0|2,0,1]=4 6002 B12R0.47 CCCCCCC(C)OCCCN 34a_100000182051_100011215978 [0,1,0,0,0,0|2,0,1]=4 6003 B12R0.47 CCCCCCC(C)OCCCO 34a_100000210265_100000230001 [0,1,0,0,0,0|1,0,2]=4 6004 B12R0.47 CCCCCCC(C)OCCCO 7a_100000210265_100011215043 [0,1,0,0,0,0|1,0,2]=4 6005 B12R0.47 CCCCCCC(C)OCCOC 34a_100000210237_100011215978 [0,1,0,0,0,0|3,0,0]=4 6006 B12R0.47 CCCCCCC(C)OCCOC 34a_100000210265_100011201679 [0,1,0,0,0,0|3,0,0]=4 6007 B12R0.47 CCCCCCC(C)OCCOC 7a_100000210265_100000233755 [0,1,0,0,0,0|3,0,0]=4 6008 B12R0.47 CCCCCCC(C)OCCON 34a_100000700252_100011215978 [0,1,0,0,0,0|3,0,0]=4 6009 B12R0.47 CCCCCCC(C)OCCSC 34a_100000210265_100000212216 [0,1,0,0,0,0|3,0,0]=4 6010 B12R0.47 CCCCCCC(C)OCCSC 34a_100000230434_100011215978 [0,1,0,0,0,0|3,0,0]=4 6011 B12R0.47 CCCCCCC(C)OCCSC 7a_100000210265_100000212216 [0,1,0,0,0,0|3,0,0]=4 6012 B12R0.47 CCCCCCC(C)OCCSC 7a_100000230434_100011215978 [0,1,0,0,0,0|3,0,0]=4 6013 B12R0.47 CCCCCCC(C)SCCC#N 62a_100011215226_100011215978 [0,1,0,0,0,0|2,0,1]=4 6014 B12R0.47 CCCCCCC(C)SCCC#N 62a_100011215978_100011215226 [0,1,0,0,0,0|2,0,1]=4 6015 B12R0.47 CCCCCCC(C)SCCCC 62a_100000210211_100011215978 [0,1,0,0,0,0|2,0,1]=4 6016 B12R0.47 CCCCCCC(C)SCCCC 62a_100011215978_100000210210 [0,1,0,0,0,0|2,0,1]=4 6017 B12R0.47 CCCCCCC(C)SCCCF 62a_100011215978_100011934791 [0,1,0,0,0,0|2,0,1]=4 6018 B12R0.47 CCCCCCC(C)SCCCF 62a_100011934791_100011215978 [0,1,0,0,0,0|2,0,1]=4 6019 B12R0.47 CCCCCCC(C)SCCCO 62a_100011215043_100011215978 [0,1,0,0,0,0|1,0,2]=4 6020 B12R0.47 CCCCCCC(C)SCCCO 62a_100011215978_100011215043 [0,1,0,0,0,0|1,0,2]=4 6021 B12R0.47 CCCCCCC(C)SCCOC 62a_100000233755_100011215978 [0,1,0,0,0,0|3,0,0]=4 6022 B12R0.47 CCCCCCC(C)SCCOC 62a_100011215978_100000233755 [0,1,0,0,0,0|3,0,0]=4 6023 B12R0.47 CCCCCCC(C)SCCSC 62a_100000212216_100011215978 [0,1,0,0,0,0|3,0,0]=4 6024 B12R0.47 CCCCCCC(C)SCCSC 62a_100011215978_100000751147 [0,1,0,0,0,0|3,0,0]=4 6025 B12R0.47 CCCCCCN(C)CCCC#N 2230a_106256046315_100000687738 [0,1,0,0,0,0|2,0,1]=4 6026 B12R0.47 CCCCCCN(C)CCCC#N 269982a_106256046315_100000687738 [0,1,0,0,0,0|2,0,1]=4 6027 B12R0.47 CCCCCCN(C)CCCC=O 2230a_106256046315_200011292268 [0,1,0,0,0,0|1,0,0]=2 6028 B12R0.47 CCCCCCN(C)CCCC=O 269982a_106256046315_200011292268 [0,1,0,0,0,0|1,0,0]=2 6029 B12R0.47 CCCCCCN(C)CCCCC 2230a_100000223495_100000210314 [0,1,0,0,0,0|2,0,1]=4 6030 B12R0.47 CCCCCCN(C)CCCCC 2230a_106256046315_100000210326 [0,1,0,0,0,0|2,0,1]=4 6031 B12R0.47 CCCCCCN(C)CCCCC 269982a_100000223495_100000210757 [0,1,0,0,0,0|2,0,1]=4 6032 B12R0.47 CCCCCCN(C)CCCCC 269982a_106256046315_100000210215 [0,1,0,0,0,0|2,0,1]=4 6033 B12R0.47 CCCCCCN(C)CCCCF 2230a_106256046315_100000729493 [0,1,0,0,0,0|2,0,1]=4 6034 B12R0.47 CCCCCCN(C)CCCCF 269982a_106256046315_100000729493 [0,1,0,0,0,0|2,0,1]=4 6035 B12R0.47 CCCCCCN(C)CCCCO 2230a_100000717598_100000210314 [0,1,0,0,0,0|1,0,2]=4 6036 B12R0.47 CCCCCCN(C)CCCCO 2230a_106256046315_100000210776 [0,1,0,0,0,0|1,0,2]=4 6037 B12R0.47 CCCCCCN(C)CCCCO 269982a_100000717598_100000210757 [0,1,0,0,0,0|1,0,2]=4 6038 B12R0.47 CCCCCCN(C)CCCCO 269982a_106256046315_100000210776 [0,1,0,0,0,0|1,0,2]=4 6039 B12R0.47 CCCCCCN(C)CCCOC 2230a_100000224831_100000210314 [0,1,0,0,0,0|3,0,0]=4 6040 B12R0.47 CCCCCCN(C)CCCOC 2230a_106256046315_100000740836 [0,1,0,0,0,0|3,0,0]=4 6041 B12R0.47 CCCCCCN(C)CCCOC 269982a_100000224831_100000210757 [0,1,0,0,0,0|3,0,0]=4 6042 B12R0.47 CCCCCCN(C)CCCOC 269982a_106256046315_100000740836 [0,1,0,0,0,0|3,0,0]=4 6043 B12R0.47 CCCCCN(C)CCCCC#N 2230a_100000223495_100000211819 [0,1,0,0,0,0|2,0,1]=4 6044 B12R0.47 CCCCCN(C)CCCCC#N 269982a_100000223495_100011219923 [0,1,0,0,0,0|2,0,1]=4 6045 B12R0.47 CCCCCN(C)CCCCC=O 2230a_100000223495_100000139335 [0,1,0,0,0,0|1,0,0]=2 6046 B12R0.47 CCCCCN(C)CCCCC=O 269982a_100000223495_100000139335 [0,1,0,0,0,0|1,0,0]=2 6047 B12R0.47 CCCCCN(C)CCCCCF 2230a_100000223495_100000729378 [0,1,0,0,0,0|2,0,1]=4 6048 B12R0.47 CCCCCN(C)CCCCCF 269982a_100000223495_100000729378 [0,1,0,0,0,0|2,0,1]=4 6049 B12R0.47 CCCCCN(C)CCCCCO 2230a_100000223495_100000746330 [0,1,0,0,0,0|1,0,2]=4 6050 B12R0.47 CCCCCN(C)CCCCCO 2230a_100000722520_100000210326 [0,1,0,0,0,0|1,0,2]=4 6051 B12R0.47 CCCCCN(C)CCCCCO 269982a_100000223495_100000746330 [0,1,0,0,0,0|1,0,2]=4 6052 B12R0.47 CCCCCN(C)CCCCCO 269982a_100000722520_100000210215 [0,1,0,0,0,0|1,0,2]=4 6053 B12R0.47 CCCCCN(C)CCCCOC 2230a_100000223495_100000730899 [0,1,0,0,0,0|3,0,0]=4 6054 B12R0.47 CCCCCN(C)CCCCOC 269982a_100000223495_100000730899 [0,1,0,0,0,0|3,0,0]=4 6055 B12R0.47 CCCCCNC(=O)CSCC=O 62a_100000230301_200015260668 [0,1,0,0,0,0|2,0,1]=4 6056 B12R0.47 CCCCCNC(=O)CSCC=O 62a_200015260668_100000230301 [0,1,0,0,0,0|2,0,1]=4 6057 B12R0.47 CCCCCNC(C)CCCC#N 270004a_100000209983_200000032708 [0,1,0,0,0,0|2,0,1]=4 6058 B12R0.47 CCCCCNC(C)CCCCC 2230a_100000209983_200011218191 [0,1,0,0,0,0|2,0,1]=4 6059 B12R0.47 CCCCCNC(C)CCCCC 2230a_100000211957_100000210326 [0,1,0,0,0,0|2,0,1]=4 6060 B12R0.47 CCCCCNC(C)CCCCC 270004a_100000209983_100000211708 [0,1,0,0,0,0|2,0,1]=4 6061 B12R0.47 CCCCCNC(C)CCCSC 270004a_100000209983_100011399439 [0,1,0,0,0,0|3,0,0]=4 6062 B12R0.47 CCCCCOC(C)CCCCC 34a_100000210253_200011218191 [0,1,0,0,0,0|2,0,1]=4 6063 B12R0.47 CCCCCOC(C)CCCCC 34a_100011215632_100000718602 [0,1,0,0,0,0|2,0,1]=4 6064 B12R0.47 CCCCCOC(C)CCCCC 7a_100000210253_200011218191 [0,1,0,0,0,0|2,0,1]=4 6065 B12R0.47 CCCCCOC(C)CCCCC 7a_100011215632_100000210326 [0,1,0,0,0,0|2,0,1]=4 6066 B12R0.47 CCCCCOC(C)CCCOC 34a_200011539412_100000718602 [0,1,0,0,0,0|3,0,0]=4 6067 B12R0.47 CCCCCOC(C)CCCOC 7a_200011539412_100000210326 [0,1,0,0,0,0|3,0,0]=4 6068 B12R0.47 CCCCCSC(C)CCCCC 62a_100000210326_200011218191 [0,1,0,0,0,0|2,0,1]=4 6069 B12R0.47 CCCCCSC(C)CCCCC 62a_200011218191_100000210326 [0,1,0,0,0,0|2,0,1]=4 6070 B12R0.47 CCCCOC[C@@H](N)CCCCN 34a_100016993712_100000210210 [0,1,0,0,0,0|2,0,1]=4 6071 B12R0.47 CN(CCCC=O)CCCCCO 2230a_100000722520_200011292268 [0,1,0,0,0,0|2,0,0]=3 6072 B12R0.47 CN(CCCC=O)CCCCCO 269982a_100000722520_200011292268 [0,1,0,0,0,0|2,0,0]=3 6073 B12R0.47 CN(CCCC=O)CCOCCO 2230a_100000228057_200011292268 [0,1,0,0,0,0|3,0,0]=4 6074 B12R0.47 CN(CCCC=O)CCOCCO 269982a_100000228057_200011292268 [0,1,0,0,0,0|3,0,0]=4 6075 B12R0.47 CN(CCCCO)CCCCC=O 2230a_100000717598_100000139335 [0,1,0,0,0,0|2,0,0]=3 6076 B12R0.47 CN(CCCCO)CCCCC=O 269982a_100000717598_100000139335 [0,1,0,0,0,0|2,0,0]=3 6077 B12R0.47 COCCCC(C)OCCCC=O 7a_200011539412_200011292268 [0,1,0,0,0,0|2,0,0]=3 6078 B12R0.47 COCCCN(C)CCCCC=O 2230a_100000224831_100000139335 [0,1,0,0,0,0|2,0,0]=3 6079 B12R0.47 COCCCN(C)CCCCC=O 269982a_100000224831_100000139335 [0,1,0,0,0,0|2,0,0]=3 6080 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000211969_100000753159 [0,1,0,0,0,0|1,0,2]=4 6081 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000692101_100000210614 [0,1,0,0,0,0|1,0,2]=4 6082 B12R0.206 C#CCCCCCC(=O)CCCC 1458a_100000210183_100012094781 [0,1,0,0,0,0|1,0,2]=4 6083 B12R0.206 C#CCCCCCC(=O)CCCC 1458a_100000694772_100000210211 [0,1,0,0,0,0|1,0,2]=4 6084 B12R0.206 C#CCCCCCN(C)CCCC 2230a_100000207549_100012094781 [0,1,0,0,0,0|2,0,1]=4 6085 B12R0.206 C#CCCCCCN(C)CCCC 269982a_100000207549_100012094781 [0,1,0,0,0,0|2,0,1]=4 6086 B12R0.206 C#CCCCCNC(C)CCCC 2230a_100000126638_100010269958 [0,1,0,0,0,0|2,0,1]=4 6087 B12R0.206 C#CCCCCNC(C)CCCC 2230a_100000706060_200011215066 [0,1,0,0,0,0|2,0,1]=4 6088 B12R0.206 C#CCCCCNC(C)CCCC 34a_100000706060_200011215066 [0,1,0,0,0,0|2,0,1]=4 6089 B12R0.206 C#CCCCCOC(C)CCCC 34a_100000687866_100010269958 [0,1,0,0,0,0|2,0,1]=4 6090 B12R0.206 C#CCCCCOC(C)CCCC 34a_100000766709_200011215066 [0,1,0,0,0,0|2,0,1]=4 6091 B12R0.206 C#CCCCCOC(C)CCCC 7a_100000687866_100010269958 [0,1,0,0,0,0|2,0,1]=4 6092 B12R0.206 C#CCCCCOC(C)CCCC 7a_100000766709_200011215066 [0,1,0,0,0,0|2,0,1]=4 6093 B12R0.206 C#CCCCCSC(C)CCCC 62a_100010269958_200011215066 [0,1,0,0,0,0|2,0,1]=4 6094 B12R0.206 C#CCCCCSC(C)CCCC 62a_200011215066_100010269958 [0,1,0,0,0,0|2,0,1]=4 6095 B12R0.206 C#CCCCOCC(C)CCCC 34a_100011995851_100000695029 [0,1,0,0,0,0|2,0,1]=4 6096 B12R0.206 C#CCCCOCC(C)CCCC 7a_100011995851_100011215417 [0,1,0,0,0,0|2,0,1]=4 6097 B12R0.206 C#CCCCOC[C@@H](N)CCCC 34a_100011934283_100000695029 [0,1,0,0,0,0|2,0,1]=4 6098 B12R0.206 C#CCCN(C)CCCCCCC 2230a_100000228206_100000688953 [0,1,0,0,0,0|2,0,1]=4 6099 B12R0.206 C#CCCN(C)CCCCCCC 269982a_100000228206_100000730999 [0,1,0,0,0,0|2,0,1]=4 6100 B12R0.206 C#CCNC(C)CCCCCCC 34a_100000212058_200011218727 [0,1,0,0,0,0|2,0,1]=4 6101 B12R0.206 C#CCOC(C)CCCCCCC 34a_100000210247_200011218727 [0,1,0,0,0,0|2,0,1]=4 6102 B12R0.206 C#CCOC(C)CCCCCCC 34a_200011215852_100000184674 [0,1,0,0,0,0|2,0,1]=4 6103 B12R0.206 C#CCOC(C)CCCCCCC 7a_200011215852_100000038162 [0,1,0,0,0,0|2,0,1]=4 6104 B12R0.206 C#CCSC(C)CCCCCCC 62a_100000038162_200011218727 [0,1,0,0,0,0|2,0,1]=4 6105 B12R0.206 C/C=C/CC(=O)CCCCCCC 1458a_100000211969_100102629194 [0,1,0,0,0,0|1,0,2]=4 6106 B12R0.206 C/C=C/CN(C)CCCCCCC 269982a_100000228206_100102629194 [0,1,0,0,0,0|2,0,1]=4 6107 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [0,1,0,0,0,0|1,0,1]=3 6108 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [0,1,0,0,0,0|1,0,1]=3 6109 B12R0.206 C=CCCC(=O)CCCCCCF 1458a_100000749702_100015922095 [0,1,0,0,0,0|2,0,1]=4 6110 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100000749702_100000766143 [0,1,0,0,0,0|2,0,1]=4 6111 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100011996774_100000754431 [0,1,0,0,0,0|2,0,1]=4 6112 B12R0.206 C=CCCC(=O)CCCCCOC 1458a_100011935119_100000754431 [0,1,0,0,0,0|2,0,1]=4 6113 B12R0.206 C=CCCC(=O)CCOCCCC 1458a_100000749702_100000743108 [0,1,0,0,0,0|2,0,1]=4 6114 B12R0.206 C=CCCC(=O)NCCCCCC 11a_100000210581_100000749702 [0,1,0,0,0,0|2,0,1]=4 6115 B12R0.206 C=CCCC(=O)NCCCCCC 1626a_100000210581_100000749702 [0,1,0,0,0,0|2,0,1]=4 6116 B12R0.206 C=CCCC(=O)NCCCCCC 240690a_100000210581_100000749702 [0,1,0,0,0,0|2,0,1]=4 6117 B12R0.206 C=CCCC(=O)NCCCCCC 527a_100000210581_100000749702 [0,1,0,0,0,0|2,0,1]=4 6118 B12R0.206 C=CCCC(C)NCCCCCC 270004a_100000210581_100000762624 [0,1,0,0,0,0|2,0,0]=3 6119 B12R0.206 C=CCCC(C)NCCCCCO 270004a_100000762737_100000762624 [0,1,0,0,0,0|3,0,0]=4 6120 B12R0.206 C=CCCC(C)NCCCOCC 270004a_100000210961_100000762624 [0,1,0,0,0,0|3,0,0]=4 6121 B12R0.206 C=CCCC(C)NCCOCCC 270004a_100161115042_100000762624 [0,1,0,0,0,0|3,0,0]=4 6122 B12R0.206 C=CCCC(C)NCCSCCC 270004a_100020603323_100000762624 [0,1,0,0,0,0|3,0,0]=4 6123 B12R0.206 C=CCCC(C)OCCCCC=O 7a_100000765329_100000139335 [0,1,0,0,0,0|1,0,2]=4 6124 B12R0.206 C=CCCC(C)OCCCCCC 34a_100000765329_100000210314 [0,1,0,0,0,0|2,0,0]=3 6125 B12R0.206 C=CCCC(C)OCCCCCC 7a_100000765329_100000210314 [0,1,0,0,0,0|2,0,0]=3 6126 B12R0.206 C=CCCC(C)OCCCCCF 34a_100000765329_100000729378 [0,1,0,0,0,0|3,0,0]=4 6127 B12R0.206 C=CCCC(C)OCCCCCF 7a_100000765329_100000729378 [0,1,0,0,0,0|3,0,0]=4 6128 B12R0.206 C=CCCC(C)OCCCCCO 34a_100000765329_100000746330 [0,1,0,0,0,0|3,0,0]=4 6129 B12R0.206 C=CCCC(C)OCCCCCO 7a_100000765329_100000746330 [0,1,0,0,0,0|3,0,0]=4 6130 B12R0.206 C=CCCC(C)OCCCCOC 34a_100000765329_100000755781 [0,1,0,0,0,0|3,0,0]=4 6131 B12R0.206 C=CCCC(C)OCCCCOC 7a_100000765329_100000730899 [0,1,0,0,0,0|3,0,0]=4 6132 B12R0.206 C=CCCC(C)OCCCOCC 34a_100000765329_100012232248 [0,1,0,0,0,0|3,0,0]=4 6133 B12R0.206 C=CCCC(C)OCCCOCC 7a_100000765329_100012232248 [0,1,0,0,0,0|3,0,0]=4 6134 B12R0.206 C=CCCC(C)OCCOCCC 34a_100000765329_100011215938 [0,1,0,0,0,0|3,0,0]=4 6135 B12R0.206 C=CCCC(C)OCCOCCC 7a_100000765329_100011215938 [0,1,0,0,0,0|3,0,0]=4 6136 B12R0.206 C=CCCC(C)OCOCCCC 34a_100000765329_100011995733 [0,1,0,0,0,0|3,0,0]=4 6137 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100000210183_100000700193 [0,1,0,0,0,0|1,0,1]=3 6138 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100011934241_100000210211 [0,1,0,0,0,0|1,0,1]=3 6139 B12R0.206 C=CCCCCCC(=O)CCCF 1458a_100011934241_100011934791 [0,1,0,0,0,0|2,0,1]=4 6140 B12R0.206 C=CCCCCCC(=O)CCCO 1458a_100011934241_100011215043 [0,1,0,0,0,0|2,0,1]=4 6141 B12R0.206 C=CCCCCCC(=O)CCOC 1458a_100000749529_100000700193 [0,1,0,0,0,0|2,0,1]=4 6142 B12R0.206 C=CCCCCCC(=O)CCOC 1458a_100011934241_100000233755 [0,1,0,0,0,0|2,0,1]=4 6143 B12R0.206 C=CCCCCCC(=O)CCSC 1458a_100000174002_100000700193 [0,1,0,0,0,0|2,0,1]=4 6144 B12R0.206 C=CCCCCCC(=O)CCSC 1458a_100011934241_100000751147 [0,1,0,0,0,0|2,0,1]=4 6145 B12R0.206 C=CCCCCCC(=O)COCC 1458a_100000211967_100000700193 [0,1,0,0,0,0|2,0,1]=4 6146 B12R0.206 C=CCCCCCC(=O)CSCC 1458a_100000230394_100000700193 [0,1,0,0,0,0|2,0,1]=4 6147 B12R0.206 C=CCCCCCC(=O)NCCC 11a_100020643023_100011934241 [0,1,0,0,0,0|2,0,1]=4 6148 B12R0.206 C=CCCCCCC(=O)NCCC 1626a_100020643023_100011934241 [0,1,0,0,0,0|2,0,1]=4 6149 B12R0.206 C=CCCCCCC(=O)NCCC 240690a_100020643023_100011934241 [0,1,0,0,0,0|2,0,1]=4 6150 B12R0.206 C=CCCCCCC(=O)NCCC 527a_100020643023_100011934241 [0,1,0,0,0,0|2,0,1]=4 6151 B12R0.206 C=CCCCCCN(C)CCCC 2230a_100000207549_100000700193 [0,1,0,0,0,0|2,0,0]=3 6152 B12R0.206 C=CCCCCCN(C)CCCC 269982a_100000207549_100000700193 [0,1,0,0,0,0|2,0,0]=3 6153 B12R0.206 C=CCCCCCN(C)CCCO 2230a_100000213112_100000700193 [0,1,0,0,0,0|3,0,0]=4 6154 B12R0.206 C=CCCCCCN(C)CCCO 269982a_100000213112_100000700193 [0,1,0,0,0,0|3,0,0]=4 6155 B12R0.206 C=CCCCCCN(C)CCOC 2230a_100000743101_100000700193 [0,1,0,0,0,0|3,0,0]=4 6156 B12R0.206 C=CCCCCCN(C)CCOC 269982a_100000743101_100000700193 [0,1,0,0,0,0|3,0,0]=4 6157 B12R0.206 C=CCCCCCN(C)CCSC 2230a_100000686725_100000700193 [0,1,0,0,0,0|3,0,0]=4 6158 B12R0.206 C=CCCCCCN(C)CCSC 269982a_100000686725_100000700193 [0,1,0,0,0,0|3,0,0]=4 6159 B12R0.206 C=CCCCCNC(=O)CCCC 11a_100000703577_100000210183 [0,1,0,0,0,0|2,0,1]=4 6160 B12R0.206 C=CCCCCNC(=O)CCCC 1626a_100000703577_100000210183 [0,1,0,0,0,0|2,0,1]=4 6161 B12R0.206 C=CCCCCNC(=O)CCCC 240690a_100000703577_100000210183 [0,1,0,0,0,0|2,0,1]=4 6162 B12R0.206 C=CCCCCNC(=O)CCCC 527a_100000703577_100000210183 [0,1,0,0,0,0|2,0,1]=4 6163 B12R0.206 C=CCCCCNC(C)CCCC 2230a_100000126638_100011215482 [0,1,0,0,0,0|2,0,0]=3 6164 B12R0.206 C=CCCCCNC(C)CCCC 2230a_100000703577_200011215066 [0,1,0,0,0,0|2,0,0]=3 6165 B12R0.206 C=CCCCCNC(C)CCCC 270004a_100000703577_100000210087 [0,1,0,0,0,0|2,0,0]=3 6166 B12R0.206 C=CCCCCNC(C)CCCC 34a_100000703577_200011215066 [0,1,0,0,0,0|2,0,0]=3 6167 B12R0.206 C=CCCCCNC(C)CCOC 270004a_100000703577_100000742357 [0,1,0,0,0,0|3,0,0]=4 6168 B12R0.206 C=CCCCCNC(C)CCSC 270004a_100000703577_100011217047 [0,1,0,0,0,0|3,0,0]=4 6169 B12R0.206 C=CCCCCNC(C)CSCC 270004a_100000703577_200011216171 [0,1,0,0,0,0|3,0,0]=4 6170 B12R0.206 C=CCCCCOC(C)CCCC 34a_100000687866_100011215482 [0,1,0,0,0,0|2,0,0]=3 6171 B12R0.206 C=CCCCCOC(C)CCCC 34a_100000766645_200011215066 [0,1,0,0,0,0|2,0,0]=3 6172 B12R0.206 C=CCCCCOC(C)CCCC 7a_100000687866_100011215482 [0,1,0,0,0,0|2,0,0]=3 6173 B12R0.206 C=CCCCCOC(C)CCCC 7a_100000766645_200011215066 [0,1,0,0,0,0|2,0,0]=3 6174 B12R0.206 C=CCCCCOC(C)CCCCl 34a_200000718107_100011215482 [0,1,0,0,0,0|3,0,0]=4 6175 B12R0.206 C=CCCCCOC(C)CCCCl 7a_200000718107_100011215482 [0,1,0,0,0,0|3,0,0]=4 6176 B12R0.206 C=CCCCCOC(C)COCC 34a_100000718985_100011215482 [0,1,0,0,0,0|3,0,0]=4 6177 B12R0.206 C=CCCCCOC(C)COCC 7a_100000718985_100011215482 [0,1,0,0,0,0|3,0,0]=4 6178 B12R0.206 C=CCCCCSC(C)CCCC 62a_100011215482_200011215066 [0,1,0,0,0,0|2,0,0]=3 6179 B12R0.206 C=CCCCCSC(C)CCCC 62a_200011215066_100011215482 [0,1,0,0,0,0|2,0,0]=3 6180 B12R0.206 C=CCCCNCC(C)OCCC 2230a_100015185124_100011713584 [0,1,0,0,0,0|3,0,0]=4 6181 B12R0.206 C=CCCCNCC(C)OCCC 34a_100015185124_100000757094 [0,1,0,0,0,0|3,0,0]=4 6182 B12R0.206 C=CCCCNCC(O)COCC 2230a_102515437182_100011713584 [0,1,0,0,0,0|3,0,0]=4 6183 B12R0.206 C=CCCCNCC(O)COCC 34a_102515437182_100000757094 [0,1,0,0,0,0|3,0,0]=4 6184 B12R0.206 C=CCCCNC[C@H](C)CCCO 2230a_100160569302_100011713584 [0,1,0,0,0,0|3,0,0]=4 6185 B12R0.206 C=CCCCNC[C@H](C)CCCO 34a_100160569302_100000757094 [0,1,0,0,0,0|3,0,0]=4 6186 B12R0.206 C=CCCCOCC(C)CCCC 34a_100011995851_100000757094 [0,1,0,0,0,0|2,0,0]=3 6187 B12R0.206 C=CCCCOCC(C)CCCC 7a_100011995851_100000757094 [0,1,0,0,0,0|2,0,0]=3 6188 B12R0.206 C=CCCCOC[C@@H](N)CCCC 34a_100011934283_100000757094 [0,1,0,0,0,0|2,0,0]=3 6189 B12R0.206 C=CCCCOC[C@@H](N)CCSC 34a_100011827619_100000757094 [0,1,0,0,0,0|3,0,0]=4 6190 B12R0.206 C=CCCN(C)CCCCCC=O 2230a_100020639649_100000139337 [0,1,0,0,0,0|1,0,2]=4 6191 B12R0.206 C=CCCN(C)CCCCCC=O 269982a_100020639649_100000139337 [0,1,0,0,0,0|1,0,2]=4 6192 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100000228206_100000754431 [0,1,0,0,0,0|2,0,0]=3 6193 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100020639649_100000210681 [0,1,0,0,0,0|2,0,0]=3 6194 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100000228206_100000754431 [0,1,0,0,0,0|2,0,0]=3 6195 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100020639649_100000210681 [0,1,0,0,0,0|2,0,0]=3 6196 B12R0.206 C=CCCN(C)CCCCCCF 2230a_100020639649_100015922095 [0,1,0,0,0,0|3,0,0]=4 6197 B12R0.206 C=CCCN(C)CCCCCCF 269982a_100020639649_100015922095 [0,1,0,0,0,0|3,0,0]=4 6198 B12R0.206 C=CCCN(C)CCCCCCO 2230a_100020639649_100000766143 [0,1,0,0,0,0|3,0,0]=4 6199 B12R0.206 C=CCCN(C)CCCCCCO 269982a_100020639649_100000766143 [0,1,0,0,0,0|3,0,0]=4 6200 B12R0.206 C=CCCN(C)CCOCCCC 2230a_100020639649_100000743108 [0,1,0,0,0,0|3,0,0]=4 6201 B12R0.206 C=CCCN(C)CCOCCCC 269982a_100020639649_100000743108 [0,1,0,0,0,0|3,0,0]=4 6202 B12R0.206 C=CCNC(=O)CCCCCCC 1626a_100020586998_100000211969 [0,1,0,0,0,0|2,0,1]=4 6203 B12R0.206 C=CCNC(=O)CCCCCCC 240690a_100020586998_100000211969 [0,1,0,0,0,0|2,0,1]=4 6204 B12R0.206 C=CCNC(=O)CCCCCCC 527a_100020586998_100000211969 [0,1,0,0,0,0|2,0,1]=4 6205 B12R0.206 C=CCNC(C)CCCCCCC 2230a_100020586998_200011218727 [0,1,0,0,0,0|2,0,0]=3 6206 B12R0.206 C=CCNC(C)CCCCCCC 270004a_100020586998_100000210596 [0,1,0,0,0,0|2,0,0]=3 6207 B12R0.206 C=CCOC(C)CCCCCCC 34a_200000210373_200011218727 [0,1,0,0,0,0|2,0,0]=3 6208 B12R0.206 C=CCOC(C)CCCCCCC 34a_200011215852_100015514636 [0,1,0,0,0,0|2,0,0]=3 6209 B12R0.206 C=CCOC(C)CCCCCCC 7a_200011215852_100015514636 [0,1,0,0,0,0|2,0,0]=3 6210 B12R0.206 C=CCOCCOC(C)CCCC 34a_100000037705_200011215066 [0,1,0,0,0,0|3,0,0]=4 6211 B12R0.206 C=CCOCCOC(C)CCCC 7a_100000037705_200011215066 [0,1,0,0,0,0|3,0,0]=4 6212 B12R0.206 C=CCSC(C)CCCCCCC 62a_100000210623_200011218727 [0,1,0,0,0,0|2,0,0]=3 6213 B12R0.206 C=CCSC(C)CCCCCCC 62a_200011218727_100000210623 [0,1,0,0,0,0|2,0,0]=3 6214 B12R0.206 C=COCCCNC(C)CCCC 2230a_100000210767_200011215066 [0,1,0,0,0,0|3,0,0]=4 6215 B12R0.206 C=COCCCNC(C)CCCC 270004a_100000210767_100000210087 [0,1,0,0,0,0|3,0,0]=4 6216 B12R0.206 C=COCCCNC(C)CCCC 34a_100000210767_200011215066 [0,1,0,0,0,0|3,0,0]=4 6217 B12R0.206 C=COCCOCC(C)CCCC 34a_100011995851_100000039644 [0,1,0,0,0,0|3,0,0]=4 6218 B12R0.206 C=COCCOCC(C)CCCC 7a_100011995851_100000039644 [0,1,0,0,0,0|3,0,0]=4 6219 B12R0.206 C=COCCOC[C@@H](N)CCCC 34a_100011934283_100000039644 [0,1,0,0,0,0|3,0,0]=4 6220 B12R0.206 CC(CCCCl)OCCCCC=O 7a_200000718107_100000139335 [0,1,0,0,0,0|2,0,0]=3 6221 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100000211969_100000070051 [0,1,0,0,0,0|1,0,2]=4 6222 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100121576822_100000210614 [0,1,0,0,0,0|1,0,2]=4 6223 B12R0.206 CC=CCCCOC(C)CCCC 34a_100020645299_200011215066 [0,1,0,0,0,0|2,0,1]=4 6224 B12R0.206 CC=CCN(C)CCCCCCC 2230a_100000228206_100000070051 [0,1,0,0,0,0|2,0,1]=4 6225 B12R0.206 CCC#CC(C)OCCCCC=O 7a_100000033903_100000139335 [0,1,0,0,0,0|1,0,2]=4 6226 B12R0.206 CCCCC(=O)CCCCCC#N 1458a_100000210183_100009813376 [0,1,0,0,0,0|1,0,2]=4 6227 B12R0.206 CCCCC(=O)CCCCCCF 1458a_100000210183_100015922095 [0,1,0,0,0,0|1,0,2]=4 6228 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100000210183_100000766143 [0,1,0,0,0,0|0,0,3]=4 6229 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100011996774_100000210211 [0,1,0,0,0,0|0,0,3]=4 6230 B12R0.206 CCCCC(=O)CCCCCOC 1458a_100011935119_100000210211 [0,1,0,0,0,0|2,0,1]=4 6231 B12R0.206 CCCCC(C)CCCCOCC 34a_200011021034_100000210202 [0,1,0,0,0,0|2,0,1]=4 6232 B12R0.206 CCCCC(C)CCCCOCC 7a_200011021034_100000210202 [0,1,0,0,0,0|2,0,1]=4 6233 B12R0.206 CCCCC(C)CCCCOCF 34a_200011021034_100015361967 [0,1,0,0,0,0|2,0,1]=4 6234 B12R0.206 CCCCC(C)CCCCOCF 7a_200011021034_100015361967 [0,1,0,0,0,0|2,0,1]=4 6235 B12R0.206 CCCCC(C)COCCCC#N 7a_100011995851_100000687738 [0,1,0,0,0,0|2,0,1]=4 6236 B12R0.206 CCCCC(C)COCCCC=O 7a_100011995851_200011292268 [0,1,0,0,0,0|1,0,0]=2 6237 B12R0.206 CCCCC(C)COCCCCF 34a_100011995851_100000729493 [0,1,0,0,0,0|2,0,1]=4 6238 B12R0.206 CCCCC(C)COCCCCF 7a_100011995851_100000729493 [0,1,0,0,0,0|2,0,1]=4 6239 B12R0.206 CCCCC(C)COCCCCO 34a_100011995851_100011216708 [0,1,0,0,0,0|1,0,2]=4 6240 B12R0.206 CCCCC(C)COCCCCO 7a_100011995851_100000210776 [0,1,0,0,0,0|1,0,2]=4 6241 B12R0.206 CCCCC(C)COCCCOC 34a_100011995851_100000740836 [0,1,0,0,0,0|3,0,0]=4 6242 B12R0.206 CCCCC(C)COCCCOC 7a_100011995851_100000740836 [0,1,0,0,0,0|3,0,0]=4 6243 B12R0.206 CCCCC(C)NCCCCC#N 2230a_100000126638_100000211819 [0,1,0,0,0,0|2,0,1]=4 6244 B12R0.206 CCCCC(C)NCCCCC#N 270004a_100000751965_100000210087 [0,1,0,0,0,0|2,0,1]=4 6245 B12R0.206 CCCCC(C)NCCCCC=O 2230a_100000126638_100000139335 [0,1,0,0,0,0|1,0,0]=2 6246 B12R0.206 CCCCC(C)NCCCCCF 2230a_100000126638_100000729378 [0,1,0,0,0,0|2,0,1]=4 6247 B12R0.206 CCCCC(C)NCCCCCO 2230a_100000126638_100000746330 [0,1,0,0,0,0|1,0,2]=4 6248 B12R0.206 CCCCC(C)NCCCCCO 2230a_100000762737_200011215066 [0,1,0,0,0,0|1,0,2]=4 6249 B12R0.206 CCCCC(C)NCCCCCO 270004a_100000762737_100000210087 [0,1,0,0,0,0|1,0,2]=4 6250 B12R0.206 CCCCC(C)NCCCCCO 34a_100000762737_200011215066 [0,1,0,0,0,0|1,0,2]=4 6251 B12R0.206 CCCCC(C)NCCCCOC 2230a_100000126638_100000730899 [0,1,0,0,0,0|3,0,0]=4 6252 B12R0.206 CCCCC(C)OCCCCC#N 7a_100000687866_100000211819 [0,1,0,0,0,0|2,0,1]=4 6253 B12R0.206 CCCCC(C)OCCCCC=O 7a_100000687866_100000139335 [0,1,0,0,0,0|1,0,0]=2 6254 B12R0.206 CCCCC(C)OCCCCCBr 34a_100000746331_200011215066 [0,1,0,0,0,0|2,0,1]=4 6255 B12R0.206 CCCCC(C)OCCCCCBr 7a_100000746331_200011215066 [0,1,0,0,0,0|2,0,1]=4 6256 B12R0.206 CCCCC(C)OCCCCCCl 34a_100000746330_200011215066 [0,1,0,0,0,0|2,0,1]=4 6257 B12R0.206 CCCCC(C)OCCCCCCl 7a_100000746330_200011215066 [0,1,0,0,0,0|2,0,1]=4 6258 B12R0.206 CCCCC(C)OCCCCCF 34a_100000687866_100000729378 [0,1,0,0,0,0|2,0,1]=4 6259 B12R0.206 CCCCC(C)OCCCCCF 7a_100000687866_100000729378 [0,1,0,0,0,0|2,0,1]=4 6260 B12R0.206 CCCCC(C)OCCCCCI 34a_200012148887_200011215066 [0,1,0,0,0,0|2,0,1]=4 6261 B12R0.206 CCCCC(C)OCCCCCI 7a_200012148887_200011215066 [0,1,0,0,0,0|2,0,1]=4 6262 B12R0.206 CCCCC(C)OCCCCCN 34a_100000762737_200011215066 [0,1,0,0,0,0|2,0,1]=4 6263 B12R0.206 CCCCC(C)OCCCCCO 34a_100000687866_100000746330 [0,1,0,0,0,0|1,0,2]=4 6264 B12R0.206 CCCCC(C)OCCCCCO 7a_100000687866_100000746330 [0,1,0,0,0,0|1,0,2]=4 6265 B12R0.206 CCCCC(C)OCCCCOC 34a_100000687866_100000755781 [0,1,0,0,0,0|3,0,0]=4 6266 B12R0.206 CCCCC(C)OCCCCOC 34a_100000740925_200011215066 [0,1,0,0,0,0|3,0,0]=4 6267 B12R0.206 CCCCC(C)OCCCCOC 7a_100000687866_100000730899 [0,1,0,0,0,0|3,0,0]=4 6268 B12R0.206 CCCCC(C)OCCCCSC 34a_100011217163_200011215066 [0,1,0,0,0,0|3,0,0]=4 6269 B12R0.206 CCCCC(C)OCCCCSC 7a_100011217163_200011215066 [0,1,0,0,0,0|3,0,0]=4 6270 B12R0.206 CCCCC(C)SCCCCC#N 62a_100011219923_200011215066 [0,1,0,0,0,0|2,0,1]=4 6271 B12R0.206 CCCCC(C)SCCCCC#N 62a_200011215066_100000211819 [0,1,0,0,0,0|2,0,1]=4 6272 B12R0.206 CCCCC(C)SCCCCC=O 62a_100000139335_200011215066 [0,1,0,0,0,0|1,0,0]=2 6273 B12R0.206 CCCCC(C)SCCCCC=O 62a_200011215066_100000139335 [0,1,0,0,0,0|1,0,0]=2 6274 B12R0.206 CCCCC(C)SCCCCCF 62a_100000729378_200011215066 [0,1,0,0,0,0|2,0,1]=4 6275 B12R0.206 CCCCC(C)SCCCCCF 62a_200011215066_100000729378 [0,1,0,0,0,0|2,0,1]=4 6276 B12R0.206 CCCCC(C)SCCCCCO 62a_100000746330_200011215066 [0,1,0,0,0,0|1,0,2]=4 6277 B12R0.206 CCCCC(C)SCCCCCO 62a_200011215066_100000746330 [0,1,0,0,0,0|1,0,2]=4 6278 B12R0.206 CCCCC(C)SCCCCOC 62a_100000730899_200011215066 [0,1,0,0,0,0|3,0,0]=4 6279 B12R0.206 CCCCC(C)SCCCCOC 62a_200011215066_100000730899 [0,1,0,0,0,0|3,0,0]=4 6280 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100000211969_100011215226 [0,1,0,0,0,0|1,0,2]=4 6281 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100011934036_100000210614 [0,1,0,0,0,0|1,0,2]=4 6282 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000210183_100000210614 [0,1,0,0,0,0|1,0,2]=4 6283 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000211969_100000210211 [0,1,0,0,0,0|1,0,2]=4 6284 B12R0.206 CCCCCCCC(=O)CCCF 1458a_100000211969_100011934791 [0,1,0,0,0,0|1,0,2]=4 6285 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [0,1,0,0,0,0|0,0,3]=4 6286 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [0,1,0,0,0,0|2,0,1]=4 6287 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [0,1,0,0,0,0|2,0,1]=4 6288 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000174002_100000210614 [0,1,0,0,0,0|2,0,1]=4 6289 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000211969_100000751147 [0,1,0,0,0,0|2,0,1]=4 6290 B12R0.206 CCCCCCCC(C)NCCC 270004a_100020643023_100000210596 [0,1,0,0,0,0|2,0,1]=4 6291 B12R0.206 CCCCCCCC(C)NCCF 34a_100000724931_200011218727 [0,1,0,0,0,0|2,0,1]=4 6292 B12R0.206 CCCCCCCC(C)NCCO 2230a_100016997473_200011218727 [0,1,0,0,0,0|1,0,2]=4 6293 B12R0.206 CCCCCCCC(C)NCCO 270004a_100000210304_100000210596 [0,1,0,0,0,0|1,0,2]=4 6294 B12R0.206 CCCCCCCC(C)NCCO 34a_100016990907_200011218727 [0,1,0,0,0,0|1,0,2]=4 6295 B12R0.206 CCCCCCCC(C)OCC#N 7a_200011215852_100011215382 [0,1,0,0,0,0|2,0,1]=4 6296 B12R0.206 CCCCCCCC(C)OCC=O 34a_200011215852_200009817547 [0,1,0,0,0,0|1,0,0]=2 6297 B12R0.206 CCCCCCCC(C)OCC=O 7a_200011215852_200015260668 [0,1,0,0,0,0|1,0,0]=2 6298 B12R0.206 CCCCCCCC(C)OCCBr 34a_100000211926_200011218727 [0,1,0,0,0,0|2,0,1]=4 6299 B12R0.206 CCCCCCCC(C)OCCC 34a_100000210258_200011218727 [0,1,0,0,0,0|2,0,1]=4 6300 B12R0.206 CCCCCCCC(C)OCCC 34a_200011215852_100000210303 [0,1,0,0,0,0|2,0,1]=4 6301 B12R0.206 CCCCCCCC(C)OCCC 7a_200011215852_100000210303 [0,1,0,0,0,0|2,0,1]=4 6302 B12R0.206 CCCCCCCC(C)OCCF 34a_200011215852_100011217306 [0,1,0,0,0,0|2,0,1]=4 6303 B12R0.206 CCCCCCCC(C)OCCF 7a_200011215852_100011217306 [0,1,0,0,0,0|2,0,1]=4 6304 B12R0.206 CCCCCCCC(C)OCCN 34a_100000210304_200011218727 [0,1,0,0,0,0|2,0,1]=4 6305 B12R0.206 CCCCCCCC(C)OCCO 34a_200011215852_100000211926 [0,1,0,0,0,0|1,0,2]=4 6306 B12R0.206 CCCCCCCC(C)OCCO 7a_200011215852_100000211926 [0,1,0,0,0,0|1,0,2]=4 6307 B12R0.206 CCCCCCCC(C)OCSC 34a_200011215852_100011218213 [0,1,0,0,0,0|3,0,0]=4 6308 B12R0.206 CCCCCCCC(C)SCC#N 62a_100011215382_200011218727 [0,1,0,0,0,0|2,0,1]=4 6309 B12R0.206 CCCCCCCC(C)SCC#N 62a_200011218727_100011215382 [0,1,0,0,0,0|2,0,1]=4 6310 B12R0.206 CCCCCCCC(C)SCC=O 62a_200011218727_200015260668 [0,1,0,0,0,0|1,0,0]=2 6311 B12R0.206 CCCCCCCC(C)SCC=O 62a_200015260668_200011218727 [0,1,0,0,0,0|1,0,0]=2 6312 B12R0.206 CCCCCCCC(C)SCCC 62a_100000210303_200011218727 [0,1,0,0,0,0|2,0,1]=4 6313 B12R0.206 CCCCCCCC(C)SCCC 62a_200011218727_100000210303 [0,1,0,0,0,0|2,0,1]=4 6314 B12R0.206 CCCCCCCC(C)SCCF 62a_100011217306_200011218727 [0,1,0,0,0,0|2,0,1]=4 6315 B12R0.206 CCCCCCCC(C)SCCF 62a_200011218727_100011217306 [0,1,0,0,0,0|2,0,1]=4 6316 B12R0.206 CCCCCCCC(C)SCCO 62a_100000211926_200011218727 [0,1,0,0,0,0|1,0,2]=4 6317 B12R0.206 CCCCCCCC(C)SCCO 62a_200011218727_100000211926 [0,1,0,0,0,0|1,0,2]=4 6318 B12R0.206 CCCCCCCC(C)SCOC 62a_100000766300_200011218727 [0,1,0,0,0,0|3,0,0]=4 6319 B12R0.206 CCCCCCCC(C)SCOC 62a_200011218727_100000766300 [0,1,0,0,0,0|3,0,0]=4 6320 B12R0.206 CCCCCCCC(C)SCSC 62a_100011218213_200011218727 [0,1,0,0,0,0|3,0,0]=4 6321 B12R0.206 CCCCCCCC(C)SCSC 62a_200011218727_100011218213 [0,1,0,0,0,0|3,0,0]=4 6322 B12R0.206 CCCCCCCN(C)CCC#N 2230a_100000184479_100000210681 [0,1,0,0,0,0|2,0,1]=4 6323 B12R0.206 CCCCCCCN(C)CCC#N 2230a_100000228206_100011215226 [0,1,0,0,0,0|2,0,1]=4 6324 B12R0.206 CCCCCCCN(C)CCC#N 269982a_100000228206_100011215226 [0,1,0,0,0,0|2,0,1]=4 6325 B12R0.206 CCCCCCCN(C)CCCC 2230a_100000207549_100000210681 [0,1,0,0,0,0|2,0,1]=4 6326 B12R0.206 CCCCCCCN(C)CCCC 2230a_100000228206_100000210211 [0,1,0,0,0,0|2,0,1]=4 6327 B12R0.206 CCCCCCCN(C)CCCC 269982a_100000207549_100000210681 [0,1,0,0,0,0|2,0,1]=4 6328 B12R0.206 CCCCCCCN(C)CCCC 269982a_100000228206_100000210211 [0,1,0,0,0,0|2,0,1]=4 6329 B12R0.206 CCCCCCCN(C)CCCF 2230a_100000228206_100011934791 [0,1,0,0,0,0|2,0,1]=4 6330 B12R0.206 CCCCCCCN(C)CCCF 269982a_100000228206_100011934791 [0,1,0,0,0,0|2,0,1]=4 6331 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000213112_100000210681 [0,1,0,0,0,0|1,0,2]=4 6332 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000228206_100000230001 [0,1,0,0,0,0|1,0,2]=4 6333 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000213112_100000210681 [0,1,0,0,0,0|1,0,2]=4 6334 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000228206_100011215043 [0,1,0,0,0,0|1,0,2]=4 6335 B12R0.206 CCCCCCCN(C)CCOC 2230a_100000228206_100011201679 [0,1,0,0,0,0|3,0,0]=4 6336 B12R0.206 CCCCCCCN(C)CCOC 2230a_100000743101_100000210681 [0,1,0,0,0,0|3,0,0]=4 6337 B12R0.206 CCCCCCCN(C)CCOC 269982a_100000228206_100000233755 [0,1,0,0,0,0|3,0,0]=4 6338 B12R0.206 CCCCCCCN(C)CCOC 269982a_100000743101_100000210681 [0,1,0,0,0,0|3,0,0]=4 6339 B12R0.206 CCCCCCCN(C)CCSC 2230a_100000228206_100000751147 [0,1,0,0,0,0|3,0,0]=4 6340 B12R0.206 CCCCCCCN(C)CCSC 2230a_100000686725_100000210681 [0,1,0,0,0,0|3,0,0]=4 6341 B12R0.206 CCCCCCCN(C)CCSC 269982a_100000228206_100000212216 [0,1,0,0,0,0|3,0,0]=4 6342 B12R0.206 CCCCCCCN(C)CCSC 269982a_100000686725_100000210681 [0,1,0,0,0,0|3,0,0]=4 6343 B12R0.206 CCCCCCNC(C)CCCC 2230a_100000126638_100000210314 [0,1,0,0,0,0|2,0,1]=4 6344 B12R0.206 CCCCCCNC(C)CCCC 2230a_100000210581_200011215066 [0,1,0,0,0,0|2,0,1]=4 6345 B12R0.206 CCCCCCNC(C)CCCC 270004a_100000210581_100000210087 [0,1,0,0,0,0|2,0,1]=4 6346 B12R0.206 CCCCCCNC(C)CCOC 270004a_100000210581_100000742357 [0,1,0,0,0,0|3,0,0]=4 6347 B12R0.206 CCCCCCNC(C)CCSC 270004a_100000210581_100011217047 [0,1,0,0,0,0|3,0,0]=4 6348 B12R0.206 CCCCCCOC(C)CCCC 34a_100000210259_200011215066 [0,1,0,0,0,0|2,0,1]=4 6349 B12R0.206 CCCCCCOC(C)CCCC 34a_100000687866_100000210314 [0,1,0,0,0,0|2,0,1]=4 6350 B12R0.206 CCCCCCOC(C)CCCC 7a_100000210259_200011215066 [0,1,0,0,0,0|2,0,1]=4 6351 B12R0.206 CCCCCCOC(C)CCCC 7a_100000687866_100000210314 [0,1,0,0,0,0|2,0,1]=4 6352 B12R0.206 CCCCCCOC(C)CCCCl 34a_200000718107_100000210314 [0,1,0,0,0,0|2,0,1]=4 6353 B12R0.206 CCCCCCOC(C)CCCCl 7a_200000718107_100000210314 [0,1,0,0,0,0|2,0,1]=4 6354 B12R0.206 CCCCCCSC(C)CCCC 62a_100000210314_200011215066 [0,1,0,0,0,0|2,0,1]=4 6355 B12R0.206 CCCCCCSC(C)CCCC 62a_200011215066_100000210757 [0,1,0,0,0,0|2,0,1]=4 6356 B12R0.206 CCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210326 [0,1,0,0,0,0|1,0,2]=4 6357 B12R0.206 CCCCCNC[C@H](C)CCCO 34a_100160569302_100000718602 [0,1,0,0,0,0|1,0,2]=4 6358 B12R0.206 CCCCCOCC(C)CCCC 34a_100011995851_100000718602 [0,1,0,0,0,0|2,0,1]=4 6359 B12R0.206 CCCCCOCC(C)CCCC 7a_100011995851_100000210326 [0,1,0,0,0,0|2,0,1]=4 6360 B12R0.206 CCCCCOC[C@@H](N)CCCC 34a_100011934283_100000718602 [0,1,0,0,0,0|2,0,1]=4 6361 B12R0.206 CCCCCOC[C@@H](N)CCSC 34a_100011827619_100000718602 [0,1,0,0,0,0|3,0,0]=4 6362 B12R0.206 CCCCN(C)CCCCCC#N 2230a_100000207549_100009813376 [0,1,0,0,0,0|2,0,1]=4 6363 B12R0.206 CCCCN(C)CCCCCC#N 269982a_100000207549_100009813376 [0,1,0,0,0,0|2,0,1]=4 6364 B12R0.206 CCCCN(C)CCCCCC=O 2230a_100000207549_100000139337 [0,1,0,0,0,0|1,0,0]=2 6365 B12R0.206 CCCCN(C)CCCCCC=O 269982a_100000207549_100000139337 [0,1,0,0,0,0|1,0,0]=2 6366 B12R0.206 CCCCN(C)CCCCCCF 2230a_100000207549_100015922095 [0,1,0,0,0,0|2,0,1]=4 6367 B12R0.206 CCCCN(C)CCCCCCF 269982a_100000207549_100015922095 [0,1,0,0,0,0|2,0,1]=4 6368 B12R0.206 CCCCN(C)CCCCCCO 2230a_100000207549_100000766143 [0,1,0,0,0,0|1,0,2]=4 6369 B12R0.206 CCCCN(C)CCCCCCO 269982a_100000207549_100000766143 [0,1,0,0,0,0|1,0,2]=4 6370 B12R0.206 CCCC[C@H](N)COCCCCF 34a_100011934283_100000729493 [0,1,0,0,0,0|2,0,1]=4 6371 B12R0.206 CCCC[C@H](N)COCCCCO 34a_100011934283_100011216708 [0,1,0,0,0,0|1,0,2]=4 6372 B12R0.206 CCCC[C@H](N)COCCCOC 34a_100011934283_100000740836 [0,1,0,0,0,0|3,0,0]=4 6373 B12R0.206 CCCNC(=O)CCCSCC=O 62a_100011194427_200015260668 [0,1,0,0,0,0|2,0,1]=4 6374 B12R0.206 CCCNC(=O)CCCSCC=O 62a_200015260668_100011194427 [0,1,0,0,0,0|2,0,1]=4 6375 B12R0.206 CCCNC(=O)CNCCCC=O 2230a_100000174927_200011292268 [0,1,0,0,0,0|2,0,1]=4 6376 B12R0.206 CCCNC(=O)CSCCCC=O 62a_100000183358_200011292268 [0,1,0,0,0,0|2,0,1]=4 6377 B12R0.206 CCCNC(=O)CSCCCC=O 62a_200011292268_100000183358 [0,1,0,0,0,0|2,0,1]=4 6378 B12R0.206 CCCOC(=O)CSCCCC=O 62a_200011215008_200011292268 [0,1,0,0,0,0|2,0,1]=4 6379 B12R0.206 CCCOC(=O)CSCCCC=O 62a_200011292268_200011215008 [0,1,0,0,0,0|2,0,1]=4 6380 B12R0.206 CCCOC(C)CNCCCC=O 2230a_100015185124_200011292268 [0,1,0,0,0,0|2,0,0]=3 6381 B12R0.206 CCOCC(C)OCCCCC=O 7a_100000718985_100000139335 [0,1,0,0,0,0|2,0,0]=3 6382 B12R0.206 CCOCC(O)CNCCCC=O 2230a_102515437182_200011292268 [0,1,0,0,0,0|2,0,0]=3 6383 B12R0.206 CN(CCC#N)CCCCCC=O 2230a_100000184479_100000139337 [0,1,0,0,0,0|2,0,1]=4 6384 B12R0.206 CN(CCCO)CCCCCC=O 2230a_100000213112_100000139337 [0,1,0,0,0,0|2,0,0]=3 6385 B12R0.206 CN(CCCO)CCCCCC=O 269982a_100000213112_100000139337 [0,1,0,0,0,0|2,0,0]=3 6386 B12R0.206 COCCN(C)CCCCCC=O 2230a_100000743101_100000139337 [0,1,0,0,0,0|2,0,0]=3 6387 B12R0.206 COCCN(C)CCCCCC=O 269982a_100000743101_100000139337 [0,1,0,0,0,0|2,0,0]=3 6388 B12R0.206 COCO[C@H](C)COCCCC=O 7a_100016172286_200011292268 [0,1,0,0,0,0|3,0,0]=4 6389 B12R0.206 CSCCN(C)CCCCCC=O 2230a_100000686725_100000139337 [0,1,0,0,0,0|2,0,0]=3 6390 B12R0.206 CSCCN(C)CCCCCC=O 269982a_100000686725_100000139337 [0,1,0,0,0,0|2,0,0]=3 6391 B12R0.206 C[C@H](CCCO)CNCCCC=O 2230a_100160569302_200011292268 [0,1,0,0,0,0|2,0,0]=3 6392 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [0,1,0,0,0,0|0,0,2]=3 6393 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [0,1,0,0,0,0|0,0,2]=3 6394 B12R0.234 C#CCCCCCCCNC(C)C 2230a_100138425928_100153394163 [0,1,0,0,0,0|2,0,1]=4 6395 B12R0.234 C#CCCCCCCCNC(C)C 34a_100138425928_100153394163 [0,1,0,0,0,0|2,0,1]=4 6396 B12R0.234 C#CCCCCCCCOC(C)C 34a_100000054614_100000210206 [0,1,0,0,0,0|2,0,1]=4 6397 B12R0.234 C#CCCCCCCCOC(C)C 34a_100000212225_100153394163 [0,1,0,0,0,0|2,0,1]=4 6398 B12R0.234 C#CCCCCCCCOC(C)C 7a_100000054614_100000210206 [0,1,0,0,0,0|2,0,1]=4 6399 B12R0.234 C#CCCCCCCCSC(C)C 62a_100000210206_100153394163 [0,1,0,0,0,0|2,0,1]=4 6400 B12R0.234 C#CCCCCCCCSC(C)C 62a_100153394163_100000210206 [0,1,0,0,0,0|2,0,1]=4 6401 B12R0.234 C#CCCCCCCNCC(=O)N 2230a_100000711301_100012276617 [0,1,0,0,0,0|1,0,2]=4 6402 B12R0.234 C#CCCCCCCNCC(=O)O 269956a_100016091260_100012276617 [0,1,0,0,0,0|1,0,2]=4 6403 B12R0.234 C#CCCCCCCNCC(C)C 2230a_100000210953_100012276617 [0,1,0,0,0,0|2,0,1]=4 6404 B12R0.234 C#CCCCCCCNCC(C)C 34a_100000210953_100012276617 [0,1,0,0,0,0|2,0,1]=4 6405 B12R0.234 C#CCCCCCCNCC(C)O 2230a_100000210904_100012276617 [0,1,0,0,0,0|2,0,1]=4 6406 B12R0.234 C#CCCCCCCNCC(C)O 34a_100000210904_100012276617 [0,1,0,0,0,0|2,0,1]=4 6407 B12R0.234 C#CCCCCCCOCC(=O)C 34a_100000211253_100012276617 [0,1,0,0,0,0|1,0,2]=4 6408 B12R0.234 C#CCCCCCCOCC(=O)N 34a_100011217361_100000187820 [0,1,0,0,0,0|1,0,2]=4 6409 B12R0.234 C#CCCCCCCOCC(=O)N 7a_100011217361_100000187820 [0,1,0,0,0,0|1,0,2]=4 6410 B12R0.234 C#CCCCCCCOCC(=O)[O-] 34a_100011217361_100020667443 [0,1,0,0,0,0|1,0,2]=4 6411 B12R0.234 C#CCCCCCCOCC(C)Br 34a_100012180447_100012276617 [0,1,0,0,0,0|2,0,1]=4 6412 B12R0.234 C#CCCCCCCOCC(C)C 34a_100000210257_100012276617 [0,1,0,0,0,0|2,0,1]=4 6413 B12R0.234 C#CCCCCCCOCC(C)C 34a_100011217361_100000210624 [0,1,0,0,0,0|2,0,1]=4 6414 B12R0.234 C#CCCCCCCOCC(C)C 7a_100011217361_100000210760 [0,1,0,0,0,0|2,0,1]=4 6415 B12R0.234 C#CCCCCCCOCC(C)F 34a_100015925927_100012276617 [0,1,0,0,0,0|2,0,1]=4 6416 B12R0.234 C#CCCCCCCOCC(C)O 34a_100011217361_100011218427 [0,1,0,0,0,0|2,0,1]=4 6417 B12R0.234 C#CCCCCCCOCC(C)O 7a_100011217361_100011218427 [0,1,0,0,0,0|2,0,1]=4 6418 B12R0.234 C#CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100012276617 [0,1,0,0,0,0|2,0,1]=4 6419 B12R0.234 C#CCCCCCCOC[C@@H](C)N 34a_100000737577_100012276617 [0,1,0,0,0,0|2,0,1]=4 6420 B12R0.234 C#CCCCCCCOC[C@@H](C)O 34a_100011217361_100009817552 [0,1,0,0,0,0|2,0,1]=4 6421 B12R0.234 C#CCCCCCCOC[C@@H](C)O 7a_100011217361_100009817552 [0,1,0,0,0,0|2,0,1]=4 6422 B12R0.234 C#CCCCCCCSCC(=O)N 62a_100000747473_100012276617 [0,1,0,0,0,0|1,0,2]=4 6423 B12R0.234 C#CCCCCCCSCC(=O)N 62a_100012276617_100000747473 [0,1,0,0,0,0|1,0,2]=4 6424 B12R0.234 C#CCCCCCCSCC(=O)[O-] 62a_100012276617_100020667443 [0,1,0,0,0,0|1,0,2]=4 6425 B12R0.234 C#CCCCCCCSCC(=O)[O-] 62a_100020667443_100012276617 [0,1,0,0,0,0|1,0,2]=4 6426 B12R0.234 C#CCCCCCCSCC(C)C 62a_100000210624_100012276617 [0,1,0,0,0,0|2,0,1]=4 6427 B12R0.234 C#CCCCCCCSCC(C)C 62a_100012276617_100000210760 [0,1,0,0,0,0|2,0,1]=4 6428 B12R0.234 C#CCCCCCCSCC(C)O 62a_100011218427_100012276617 [0,1,0,0,0,0|2,0,1]=4 6429 B12R0.234 C#CCCCCCCSCC(C)O 62a_100012276617_100011218427 [0,1,0,0,0,0|2,0,1]=4 6430 B12R0.234 C#CCCCCCCSC[C@@H](C)O 62a_100009817552_100012276617 [0,1,0,0,0,0|2,0,1]=4 6431 B12R0.234 C#CCCCCCCSC[C@@H](C)O 62a_100012276617_100009817552 [0,1,0,0,0,0|2,0,1]=4 6432 B12R0.234 C#CCCCCCNCCC(C)O 2230a_200000755665_100012094781 [0,1,0,0,0,0|2,0,1]=4 6433 B12R0.234 C#CCCCCCOCCC(=O)C 34a_100000759926_100012094781 [0,1,0,0,0,0|1,0,2]=4 6434 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000759926_100012094781 [0,1,0,0,0,0|1,0,2]=4 6435 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000766912_100000053229 [0,1,0,0,0,0|1,0,2]=4 6436 B12R0.234 C#CCCCCCOCCC(=O)N 34a_100000757172_100012094781 [0,1,0,0,0,0|1,0,2]=4 6437 B12R0.234 C#CCCCCCOCCC(=O)N 34a_100000766912_100000731001 [0,1,0,0,0,0|1,0,2]=4 6438 B12R0.234 C#CCCCCCOCCC(=O)N 7a_100000757172_100012094781 [0,1,0,0,0,0|1,0,2]=4 6439 B12R0.234 C#CCCCCCOCCC(=O)N 7a_100000766912_100000744528 [0,1,0,0,0,0|1,0,2]=4 6440 B12R0.234 C#CCCCCCOCCC(C)Br 34a_100009893172_100012094781 [0,1,0,0,0,0|2,0,1]=4 6441 B12R0.234 C#CCCCCCOCCC(C)C 34a_100000210254_100012094781 [0,1,0,0,0,0|2,0,1]=4 6442 B12R0.234 C#CCCCCCOCCC(C)C 34a_100000766912_100000210312 [0,1,0,0,0,0|2,0,1]=4 6443 B12R0.234 C#CCCCCCOCCC(C)C 7a_100000210254_100012094781 [0,1,0,0,0,0|2,0,1]=4 6444 B12R0.234 C#CCCCCCOCCC(C)C 7a_100000766912_100000210626 [0,1,0,0,0,0|2,0,1]=4 6445 B12R0.234 C#CCCCCCOCCC(C)O 34a_100000766912_100012276601 [0,1,0,0,0,0|2,0,1]=4 6446 B12R0.234 C#CCCCCCOCCC(C)O 7a_100000766912_100012276601 [0,1,0,0,0,0|2,0,1]=4 6447 B12R0.234 C#CCCCCCOCC[C@@H](C)N 34a_100000706166_100012094781 [0,1,0,0,0,0|2,0,1]=4 6448 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100000053229_100012094781 [0,1,0,0,0,0|1,0,2]=4 6449 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100012094781_100000053229 [0,1,0,0,0,0|1,0,2]=4 6450 B12R0.234 C#CCCCCCSCCC(=O)N 62a_100000744528_100012094781 [0,1,0,0,0,0|1,0,2]=4 6451 B12R0.234 C#CCCCCCSCCC(=O)N 62a_100012094781_100000744528 [0,1,0,0,0,0|1,0,2]=4 6452 B12R0.234 C#CCCCCCSCCC(C)C 62a_100000210312_100012094781 [0,1,0,0,0,0|2,0,1]=4 6453 B12R0.234 C#CCCCCCSCCC(C)C 62a_100012094781_100000210312 [0,1,0,0,0,0|2,0,1]=4 6454 B12R0.234 C#CCCCCCSCCC(C)O 62a_100012094781_100012276601 [0,1,0,0,0,0|2,0,1]=4 6455 B12R0.234 C#CCCCCCSCCC(C)O 62a_100012276601_100012094781 [0,1,0,0,0,0|2,0,1]=4 6456 B12R0.234 C#CCCCCNCCCC(=O)C 34a_100000706060_100000685027 [0,1,0,0,0,0|1,0,2]=4 6457 B12R0.234 C#CCCCCNCCCC(=O)N 34a_100000706060_100102525003 [0,1,0,0,0,0|1,0,2]=4 6458 B12R0.234 C#CCCCCNCCCC(=O)N 34a_100000739312_100010269958 [0,1,0,0,0,0|1,0,2]=4 6459 B12R0.234 C#CCCCCNCCCC(C)C 2230a_100000706060_100011214892 [0,1,0,0,0,0|2,0,1]=4 6460 B12R0.234 C#CCCCCNCCCC(C)C 2230a_200000737386_100010269958 [0,1,0,0,0,0|2,0,1]=4 6461 B12R0.234 C#CCCCCNCCCC(C)C 34a_100000706060_100011214892 [0,1,0,0,0,0|2,0,1]=4 6462 B12R0.234 C#CCCCCNCCCC(C)C 34a_200000737386_100010269958 [0,1,0,0,0,0|2,0,1]=4 6463 B12R0.234 C#CCCCCNCCCC(C)O 2230a_100000706060_200000718107 [0,1,0,0,0,0|2,0,1]=4 6464 B12R0.234 C#CCCCCNCCCC(C)O 34a_100000706060_200000718107 [0,1,0,0,0,0|2,0,1]=4 6465 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000759063_100010269958 [0,1,0,0,0,0|1,0,2]=4 6466 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000766709_100000685027 [0,1,0,0,0,0|1,0,2]=4 6467 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000759063_100010269958 [0,1,0,0,0,0|1,0,2]=4 6468 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000766709_100011215641 [0,1,0,0,0,0|1,0,2]=4 6469 B12R0.234 C#CCCCCOCCCC(=O)N 34a_100000766709_100102525003 [0,1,0,0,0,0|1,0,2]=4 6470 B12R0.234 C#CCCCCOCCCC(=O)N 7a_100000766709_100102525003 [0,1,0,0,0,0|1,0,2]=4 6471 B12R0.234 C#CCCCCOCCCC(C)C 34a_100000210774_100010269958 [0,1,0,0,0,0|2,0,1]=4 6472 B12R0.234 C#CCCCCOCCCC(C)C 34a_100000766709_100011214892 [0,1,0,0,0,0|2,0,1]=4 6473 B12R0.234 C#CCCCCOCCCC(C)C 7a_100000210774_100010269958 [0,1,0,0,0,0|2,0,1]=4 6474 B12R0.234 C#CCCCCOCCCC(C)C 7a_100000766709_100011214892 [0,1,0,0,0,0|2,0,1]=4 6475 B12R0.234 C#CCCCCOCCCC(C)O 34a_100000766709_200000718107 [0,1,0,0,0,0|2,0,1]=4 6476 B12R0.234 C#CCCCCOCCCC(C)O 7a_100000766709_200000718107 [0,1,0,0,0,0|2,0,1]=4 6477 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100010269958_100011215641 [0,1,0,0,0,0|1,0,2]=4 6478 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100011215641_100010269958 [0,1,0,0,0,0|1,0,2]=4 6479 B12R0.234 C#CCCCCSCCCC(=O)N 62a_100010269958_100102525003 [0,1,0,0,0,0|1,0,2]=4 6480 B12R0.234 C#CCCCCSCCCC(=O)N 62a_100102525003_100010269958 [0,1,0,0,0,0|1,0,2]=4 6481 B12R0.234 C#CCCCCSCCCC(C)C 62a_100010269958_100011214892 [0,1,0,0,0,0|2,0,1]=4 6482 B12R0.234 C#CCCCCSCCCC(C)C 62a_100011214892_100010269958 [0,1,0,0,0,0|2,0,1]=4 6483 B12R0.234 C#CCCCCSCCCC(C)O 62a_100010269958_200000718107 [0,1,0,0,0,0|2,0,1]=4 6484 B12R0.234 C#CCCCCSCCCC(C)O 62a_200000718107_100010269958 [0,1,0,0,0,0|2,0,1]=4 6485 B12R0.234 C#CCCCNCCCCC(=O)C 34a_100000718082_100009817362 [0,1,0,0,0,0|1,0,2]=4 6486 B12R0.234 C#CCCCNCCCCC(=O)N 34a_100000696515_100000695029 [0,1,0,0,0,0|1,0,2]=4 6487 B12R0.234 C#CCCCNCCCCC(C)C 34a_100000718082_100011216152 [0,1,0,0,0,0|2,0,1]=4 6488 B12R0.234 C#CCCCOCCCCC(=O)C 34a_100000215630_100009817362 [0,1,0,0,0,0|1,0,2]=4 6489 B12R0.234 C#CCCCOCCCCC(=O)C 7a_100000215630_100000735457 [0,1,0,0,0,0|1,0,2]=4 6490 B12R0.234 C#CCCCOCCCCC(=O)N 34a_100012022536_100000695029 [0,1,0,0,0,0|1,0,2]=4 6491 B12R0.234 C#CCCCOCCCCC(=O)N 7a_100012022536_100011215417 [0,1,0,0,0,0|1,0,2]=4 6492 B12R0.234 C#CCCCOCCCCC(C)C 34a_100000215630_100011216152 [0,1,0,0,0,0|2,0,1]=4 6493 B12R0.234 C#CCCCOCCCCC(C)C 34a_100011214890_100000695029 [0,1,0,0,0,0|2,0,1]=4 6494 B12R0.234 C#CCCCOCCCCC(C)C 7a_100000215630_100011216152 [0,1,0,0,0,0|2,0,1]=4 6495 B12R0.234 C#CCCCOCCCCC(C)C 7a_100011214890_100011215417 [0,1,0,0,0,0|2,0,1]=4 6496 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100000735457_100011215417 [0,1,0,0,0,0|1,0,2]=4 6497 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100011215417_100000735457 [0,1,0,0,0,0|1,0,2]=4 6498 B12R0.234 C#CCCCSCCCCC(C)C 62a_100011215417_100011216152 [0,1,0,0,0,0|2,0,1]=4 6499 B12R0.234 C#CCCCSCCCCC(C)C 62a_100011216152_100011215417 [0,1,0,0,0,0|2,0,1]=4 6500 B12R0.234 C#CCCNCCCCCC(=O)N 34a_100000755551_100009817443 [0,1,0,0,0,0|1,0,2]=4 6501 B12R0.234 C#CCCNCCCCCC(C)C 2230a_100011290863_100000688953 [0,1,0,0,0,0|2,0,1]=4 6502 B12R0.234 C#CCCNCCCCCC(C)C 34a_100000755551_100000210682 [0,1,0,0,0,0|2,0,1]=4 6503 B12R0.234 C#CCCNCCCCCC(C)C 34a_100011290863_100000688953 [0,1,0,0,0,0|2,0,1]=4 6504 B12R0.234 C#CCCOCCCCCC(=O)N 34a_100000123541_100000688953 [0,1,0,0,0,0|1,0,2]=4 6505 B12R0.234 C#CCCOCCCCCC(=O)N 34a_100011215631_100009817443 [0,1,0,0,0,0|1,0,2]=4 6506 B12R0.234 C#CCCOCCCCCC(=O)N 7a_100000123541_100000688953 [0,1,0,0,0,0|1,0,2]=4 6507 B12R0.234 C#CCCOCCCCCC(=O)[O-] 7a_100102619762_100000688953 [0,1,0,0,0,0|1,0,2]=4 6508 B12R0.234 C#CCCOCCCCCC(C)C 34a_100011215631_100000210682 [0,1,0,0,0,0|2,0,1]=4 6509 B12R0.234 C#CCCOCCCCCC(C)C 34a_100011995859_100000688953 [0,1,0,0,0,0|2,0,1]=4 6510 B12R0.234 C#CCCOCCCCCC(C)C 7a_100011995859_100000688953 [0,1,0,0,0,0|2,0,1]=4 6511 B12R0.234 C#CCCSCCCCCC(=O)N 62a_100000688953_100009817443 [0,1,0,0,0,0|1,0,2]=4 6512 B12R0.234 C#CCCSCCCCCC(=O)N 62a_100009817443_100000688953 [0,1,0,0,0,0|1,0,2]=4 6513 B12R0.234 C#CCCSCCCCCC(C)C 62a_100000210682_100000688953 [0,1,0,0,0,0|2,0,1]=4 6514 B12R0.234 C#CCCSCCCCCC(C)C 62a_100000688953_100000210682 [0,1,0,0,0,0|2,0,1]=4 6515 B12R0.234 C#CCNCCCCCCC(C)C 2230a_100000211014_100000038162 [0,1,0,0,0,0|2,0,1]=4 6516 B12R0.234 C#CCNCCCCCCC(C)C 34a_100000211014_100000184674 [0,1,0,0,0,0|2,0,1]=4 6517 B12R0.234 C/C=C/CCOCCCCC(=O)C 34a_100016278192_100009817362 [0,1,0,0,0,0|1,0,2]=4 6518 B12R0.234 C/C=C/CCOCCCCC(C)C 34a_100016278192_100011216152 [0,1,0,0,0,0|2,0,1]=4 6519 B12R0.234 C/C=C/CNCCCCCC(C)C 34a_100011290863_100102629194 [0,1,0,0,0,0|2,0,1]=4 6520 B12R0.234 C/C=C/COCCCCCC(=O)N 34a_100000123541_100102629194 [0,1,0,0,0,0|1,0,2]=4 6521 B12R0.234 C/C=C/COCCCCCC(=O)N 34a_100016270725_100009817443 [0,1,0,0,0,0|1,0,2]=4 6522 B12R0.234 C/C=C/COCCCCCC(=O)N 7a_100000123541_100102629194 [0,1,0,0,0,0|1,0,2]=4 6523 B12R0.234 C/C=C/COCCCCCC(=O)[O-] 7a_100102619762_100102629194 [0,1,0,0,0,0|1,0,2]=4 6524 B12R0.234 C/C=C/COCCCCCC(C)C 34a_100011995859_100102629194 [0,1,0,0,0,0|2,0,1]=4 6525 B12R0.234 C/C=C/COCCCCCC(C)C 34a_100016270725_100000210682 [0,1,0,0,0,0|2,0,1]=4 6526 B12R0.234 C/C=C/COCCCCCC(C)C 7a_100011995859_100102629194 [0,1,0,0,0,0|2,0,1]=4 6527 B12R0.234 C/C=C/CSCCCCCC(=O)N 62a_100009817443_100102629194 [0,1,0,0,0,0|1,0,2]=4 6528 B12R0.234 C/C=C/CSCCCCCC(=O)N 62a_100102629194_100009817443 [0,1,0,0,0,0|1,0,2]=4 6529 B12R0.234 C/C=C/CSCCCCCC(C)C 62a_100000210682_100102629194 [0,1,0,0,0,0|2,0,1]=4 6530 B12R0.234 C/C=C/CSCCCCCC(C)C 62a_100102629194_100000210682 [0,1,0,0,0,0|2,0,1]=4 6531 B12R0.234 C=C(Br)CCOCCCCCCC 34a_100009813270_100000210614 [0,1,0,0,0,0|2,0,0]=3 6532 B12R0.234 C=C(Br)CCOCCCCCCF 34a_100009813270_100015922095 [0,1,0,0,0,0|3,0,0]=4 6533 B12R0.234 C=C(Br)CCOCCCCCCO 34a_100009813270_100000766143 [0,1,0,0,0,0|3,0,0]=4 6534 B12R0.234 C=C(Br)CCOCCOCCCC 34a_100009813270_100000743108 [0,1,0,0,0,0|3,0,0]=4 6535 B12R0.234 C=C(C)CCNCCCCCCC 2230a_100000229938_100000730704 [0,1,0,0,0,0|2,0,0]=3 6536 B12R0.234 C=C(C)CCNCCCCCCO 2230a_100000686447_100000730704 [0,1,0,0,0,0|3,0,0]=4 6537 B12R0.234 C=C(C)CCNCCCCCCO 34a_100000686447_100000730704 [0,1,0,0,0,0|3,0,0]=4 6538 B12R0.234 C=C(C)CCNCCCCCOC 2230a_100000747528_100000730704 [0,1,0,0,0,0|3,0,0]=4 6539 B12R0.234 C=C(C)CCNCCCCCOC 34a_100000747528_100000730704 [0,1,0,0,0,0|3,0,0]=4 6540 B12R0.234 C=C(C)CCNCCCOCCC 2230a_100011217757_100000730704 [0,1,0,0,0,0|3,0,0]=4 6541 B12R0.234 C=C(C)CCNCCCOCCC 34a_100011217757_100000730704 [0,1,0,0,0,0|3,0,0]=4 6542 B12R0.234 C=C(C)CCNCCSCCCC 2230a_100025743550_100000730704 [0,1,0,0,0,0|3,0,0]=4 6543 B12R0.234 C=C(C)CCOCCCCCCBr 34a_100011215345_100000730704 [0,1,0,0,0,0|3,0,0]=4 6544 B12R0.234 C=C(C)CCOCCCCCCBr 7a_100011215345_100000730704 [0,1,0,0,0,0|3,0,0]=4 6545 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000210272_100000730704 [0,1,0,0,0,0|2,0,0]=3 6546 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000764851_100000210614 [0,1,0,0,0,0|2,0,0]=3 6547 B12R0.234 C=C(C)CCOCCCCCCC 7a_100000210272_100000730704 [0,1,0,0,0,0|2,0,0]=3 6548 B12R0.234 C=C(C)CCOCCCCCCCl 34a_100000766143_100000730704 [0,1,0,0,0,0|3,0,0]=4 6549 B12R0.234 C=C(C)CCOCCCCCCCl 7a_100000766143_100000730704 [0,1,0,0,0,0|3,0,0]=4 6550 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000732779_100000730704 [0,1,0,0,0,0|3,0,0]=4 6551 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000764851_100015922095 [0,1,0,0,0,0|3,0,0]=4 6552 B12R0.234 C=C(C)CCOCCCCCCF 7a_100000732779_100000730704 [0,1,0,0,0,0|3,0,0]=4 6553 B12R0.234 C=C(C)CCOCCCCCCN 34a_100000686447_100000730704 [0,1,0,0,0,0|3,0,0]=4 6554 B12R0.234 C=C(C)CCOCCCCCCO 34a_100000764851_100000766143 [0,1,0,0,0,0|3,0,0]=4 6555 B12R0.234 C=C(C)CCOCCCCCNC 34a_100000722520_100000730704 [0,1,0,0,0,0|3,0,0]=4 6556 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000210238_100000730704 [0,1,0,0,0,0|3,0,0]=4 6557 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000764851_100000743108 [0,1,0,0,0,0|3,0,0]=4 6558 B12R0.234 C=C(C)CCOCCOCCCC 7a_100000210238_100000730704 [0,1,0,0,0,0|3,0,0]=4 6559 B12R0.234 C=C(C)CCOCCSCCCC 34a_200000230436_100000730704 [0,1,0,0,0,0|3,0,0]=4 6560 B12R0.234 C=C(C)CCOCCSCCCC 7a_200000230436_100000730704 [0,1,0,0,0,0|3,0,0]=4 6561 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000139337_100000730704 [0,1,0,0,0,0|1,0,1]=3 6562 B12R0.234 C=C(C)CCSCCCCCC=O 62a_100000730704_100000139337 [0,1,0,0,0,0|1,0,1]=3 6563 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000210614_100000730704 [0,1,0,0,0,0|2,0,0]=3 6564 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000730704_100000210316 [0,1,0,0,0,0|2,0,0]=3 6565 B12R0.234 C=C(C)CCSCCCCCCF 62a_100000730704_100015922095 [0,1,0,0,0,0|3,0,0]=4 6566 B12R0.234 C=C(C)CCSCCCCCCF 62a_100015922095_100000730704 [0,1,0,0,0,0|3,0,0]=4 6567 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000730704_100000766143 [0,1,0,0,0,0|3,0,0]=4 6568 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000766143_100000730704 [0,1,0,0,0,0|3,0,0]=4 6569 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000730704_100000743108 [0,1,0,0,0,0|3,0,0]=4 6570 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000743108_100000730704 [0,1,0,0,0,0|3,0,0]=4 6571 B12R0.234 C=C(C)CNCCCCCCCC 2230a_100000229939_100000748629 [0,1,0,0,0,0|2,0,0]=3 6572 B12R0.234 C=C(C)CNCCCCCCCC 34a_100000229939_100000748629 [0,1,0,0,0,0|2,0,0]=3 6573 B12R0.234 C=C(C)CNCCCCCCCO 2230a_100011996573_100000748629 [0,1,0,0,0,0|3,0,0]=4 6574 B12R0.234 C=C(C)CNCCCCCCCO 34a_100011996573_100000748629 [0,1,0,0,0,0|3,0,0]=4 6575 B12R0.234 C=C(C)CNCCCOCCCC 2230a_200000211371_100000748629 [0,1,0,0,0,0|3,0,0]=4 6576 B12R0.234 C=C(C)CNCCCOCCCC 34a_200000211371_100000748629 [0,1,0,0,0,0|3,0,0]=4 6577 B12R0.234 C=C(C)COCCCCCCCBr 34a_100000760002_100000748629 [0,1,0,0,0,0|3,0,0]=4 6578 B12R0.234 C=C(C)COCCCCCCCBr 7a_100000760002_100000748629 [0,1,0,0,0,0|3,0,0]=4 6579 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210232_100000748629 [0,1,0,0,0,0|2,0,0]=3 6580 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210245_100000210759 [0,1,0,0,0,0|2,0,0]=3 6581 B12R0.234 C=C(C)COCCCCCCCC 7a_100000210232_100000748629 [0,1,0,0,0,0|2,0,0]=3 6582 B12R0.234 C=C(C)COCCCCCCCN 34a_100011996573_100000748629 [0,1,0,0,0,0|3,0,0]=4 6583 B12R0.234 C=C(C)COCCCCCCCO 34a_100000210245_100000760002 [0,1,0,0,0,0|3,0,0]=4 6584 B12R0.234 C=C(C)COCCCCCCOC 34a_100000210245_100011998445 [0,1,0,0,0,0|3,0,0]=4 6585 B12R0.234 C=C(C)COCCCCCCOC 34a_200012092642_100000748629 [0,1,0,0,0,0|3,0,0]=4 6586 B12R0.234 C=C(C)COCCCCCCOC 7a_200012092642_100000748629 [0,1,0,0,0,0|3,0,0]=4 6587 B12R0.234 C=C(C)COCCCOCCCC 34a_200011215613_100000748629 [0,1,0,0,0,0|3,0,0]=4 6588 B12R0.234 C=C(C)COCCCOCCCC 7a_200011215613_100000748629 [0,1,0,0,0,0|3,0,0]=4 6589 B12R0.234 C=C(C)COCCNCCCCC 34a_100000224656_100000748629 [0,1,0,0,0,0|3,0,0]=4 6590 B12R0.234 C=C(C)COCCOCCCCC 34a_100011215259_100000748629 [0,1,0,0,0,0|3,0,0]=4 6591 B12R0.234 C=C(C)COCCOCCCCC 7a_100011215259_100000748629 [0,1,0,0,0,0|3,0,0]=4 6592 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000210759_100000211660 [0,1,0,0,0,0|2,0,0]=3 6593 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000748629_100000210317 [0,1,0,0,0,0|2,0,0]=3 6594 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000748629_100000760002 [0,1,0,0,0,0|3,0,0]=4 6595 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000760002_100000211660 [0,1,0,0,0,0|3,0,0]=4 6596 B12R0.234 C=C(C)CSCCCCCCOC 62a_100000748629_100011998445 [0,1,0,0,0,0|3,0,0]=4 6597 B12R0.234 C=C(C)CSCCCCCCOC 62a_100011998445_100000211660 [0,1,0,0,0,0|3,0,0]=4 6598 B12R0.234 C=C(F)CNCCCCCCCC 2230a_100000229939_100009893438 [0,1,0,0,0,0|2,0,0]=3 6599 B12R0.234 C=C(F)CNCCCCCCCC 34a_100000229939_100009893438 [0,1,0,0,0,0|2,0,0]=3 6600 B12R0.234 C=C(F)CNCCCCCCCO 2230a_100011996573_100009893438 [0,1,0,0,0,0|3,0,0]=4 6601 B12R0.234 C=C(F)CNCCCCCCCO 34a_100011996573_100009893438 [0,1,0,0,0,0|3,0,0]=4 6602 B12R0.234 C=C(F)CNCCCOCCCC 2230a_200000211371_100009893438 [0,1,0,0,0,0|3,0,0]=4 6603 B12R0.234 C=C(F)CNCCCOCCCC 34a_200000211371_100009893438 [0,1,0,0,0,0|3,0,0]=4 6604 B12R0.234 C=C(F)COCCCCCCCBr 34a_100000760002_100009893438 [0,1,0,0,0,0|3,0,0]=4 6605 B12R0.234 C=C(F)COCCCCCCCBr 7a_100000760002_100000042424 [0,1,0,0,0,0|3,0,0]=4 6606 B12R0.234 C=C(F)COCCCCCCCC 34a_100000210232_100009893438 [0,1,0,0,0,0|2,0,0]=3 6607 B12R0.234 C=C(F)COCCCCCCCC 34a_200010262243_100000210759 [0,1,0,0,0,0|2,0,0]=3 6608 B12R0.234 C=C(F)COCCCCCCCC 7a_100000210232_100000042424 [0,1,0,0,0,0|2,0,0]=3 6609 B12R0.234 C=C(F)COCCCCCCCN 34a_100011996573_100009893438 [0,1,0,0,0,0|3,0,0]=4 6610 B12R0.234 C=C(F)COCCCCCCCO 34a_200010262243_100000760002 [0,1,0,0,0,0|3,0,0]=4 6611 B12R0.234 C=C(F)COCCCCCCOC 34a_200010262243_100011998445 [0,1,0,0,0,0|3,0,0]=4 6612 B12R0.234 C=C(F)COCCCCCCOC 34a_200012092642_100009893438 [0,1,0,0,0,0|3,0,0]=4 6613 B12R0.234 C=C(F)COCCCCCCOC 7a_200012092642_100000042424 [0,1,0,0,0,0|3,0,0]=4 6614 B12R0.234 C=C(F)COCCCOCCCC 34a_200011215613_100009893438 [0,1,0,0,0,0|3,0,0]=4 6615 B12R0.234 C=C(F)COCCCOCCCC 7a_200011215613_100000042424 [0,1,0,0,0,0|3,0,0]=4 6616 B12R0.234 C=C(F)COCCNCCCCC 34a_100000224656_100009893438 [0,1,0,0,0,0|3,0,0]=4 6617 B12R0.234 C=C(F)COCCOCCCCC 34a_100011215259_100009893438 [0,1,0,0,0,0|3,0,0]=4 6618 B12R0.234 C=C(F)COCCOCCCCC 7a_100011215259_100000042424 [0,1,0,0,0,0|3,0,0]=4 6619 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000042424_100000210317 [0,1,0,0,0,0|2,0,0]=3 6620 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000210759_100000042424 [0,1,0,0,0,0|2,0,0]=3 6621 B12R0.234 C=C(F)CSCCCCCCCO 62a_100000042424_100000760002 [0,1,0,0,0,0|3,0,0]=4 6622 B12R0.234 C=C(F)CSCCCCCCCO 62a_100000760002_100000042424 [0,1,0,0,0,0|3,0,0]=4 6623 B12R0.234 C=C(F)CSCCCCCCOC 62a_100000042424_100011998445 [0,1,0,0,0,0|3,0,0]=4 6624 B12R0.234 C=C(F)CSCCCCCCOC 62a_100011998445_100000042424 [0,1,0,0,0,0|3,0,0]=4 6625 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [0,1,0,0,0,0|0,0,2]=3 6626 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [0,1,0,0,0,0|0,0,2]=3 6627 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [0,1,0,0,0,0|0,0,2]=3 6628 B12R0.234 C=CCCCCCCCCN(C)C 2230a_100102631434_100011933949 [0,1,0,0,0,0|2,0,0]=3 6629 B12R0.234 C=CCCCCCCCCN(C)C 269982a_100102631434_100011933949 [0,1,0,0,0,0|2,0,0]=3 6630 B12R0.234 C=CCCCCCCCNC(C)C 2230a_100138425928_100012355270 [0,1,0,0,0,0|2,0,0]=3 6631 B12R0.234 C=CCCCCCCCNC(C)C 34a_100138425928_100012355270 [0,1,0,0,0,0|2,0,0]=3 6632 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000212225_100012355270 [0,1,0,0,0,0|2,0,0]=3 6633 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000730831_100000210206 [0,1,0,0,0,0|2,0,0]=3 6634 B12R0.234 C=CCCCCCCCOC(C)C 7a_100000730831_100000210206 [0,1,0,0,0,0|2,0,0]=3 6635 B12R0.234 C=CCCCCCCCSC(C)C 62a_100000210206_100012355270 [0,1,0,0,0,0|2,0,0]=3 6636 B12R0.234 C=CCCCCCCCSC(C)C 62a_100012355270_100000210206 [0,1,0,0,0,0|2,0,0]=3 6637 B12R0.234 C=CCCCCCCNCC(=O)N 2230a_100000711301_100011215473 [0,1,0,0,0,0|1,0,2]=4 6638 B12R0.234 C=CCCCCCCNCC(=O)O 269956a_100016091260_100011215473 [0,1,0,0,0,0|1,0,2]=4 6639 B12R0.234 C=CCCCCCCNCC(C)C 2230a_100000210953_100011215473 [0,1,0,0,0,0|2,0,0]=3 6640 B12R0.234 C=CCCCCCCNCC(C)C 34a_100000210953_100011215473 [0,1,0,0,0,0|2,0,0]=3 6641 B12R0.234 C=CCCCCCCNCC(C)O 2230a_100000210904_100011215473 [0,1,0,0,0,0|2,0,0]=3 6642 B12R0.234 C=CCCCCCCNCC(C)O 34a_100000210904_100011215473 [0,1,0,0,0,0|2,0,0]=3 6643 B12R0.234 C=CCCCCCCNCC(F)F 34a_100000765723_100011215473 [0,1,0,0,0,0|3,0,0]=4 6644 B12R0.234 C=CCCCCCCOCC(=C)C 34a_100000210245_100011215473 [0,1,0,0,0,0|2,0,1]=4 6645 B12R0.234 C=CCCCCCCOCC(=C)C 34a_200011216477_100000748629 [0,1,0,0,0,0|2,0,1]=4 6646 B12R0.234 C=CCCCCCCOCC(=C)C 7a_200011216477_100000748629 [0,1,0,0,0,0|2,0,1]=4 6647 B12R0.234 C=CCCCCCCOCC(=O)C 34a_100000211253_100011215473 [0,1,0,0,0,0|1,0,2]=4 6648 B12R0.234 C=CCCCCCCOCC(=O)N 34a_200011216477_100000187820 [0,1,0,0,0,0|1,0,2]=4 6649 B12R0.234 C=CCCCCCCOCC(=O)N 7a_200011216477_100000187820 [0,1,0,0,0,0|1,0,2]=4 6650 B12R0.234 C=CCCCCCCOCC(=O)[O-] 34a_200011216477_100020667443 [0,1,0,0,0,0|1,0,2]=4 6651 B12R0.234 C=CCCCCCCOCC(C)Br 34a_100012180447_100011215473 [0,1,0,0,0,0|2,0,0]=3 6652 B12R0.234 C=CCCCCCCOCC(C)C 34a_100000210257_100011215473 [0,1,0,0,0,0|2,0,0]=3 6653 B12R0.234 C=CCCCCCCOCC(C)C 34a_200011216477_100000210624 [0,1,0,0,0,0|2,0,0]=3 6654 B12R0.234 C=CCCCCCCOCC(C)C 7a_200011216477_100000210760 [0,1,0,0,0,0|2,0,0]=3 6655 B12R0.234 C=CCCCCCCOCC(C)F 34a_100015925927_100011215473 [0,1,0,0,0,0|2,0,0]=3 6656 B12R0.234 C=CCCCCCCOCC(C)O 34a_200011216477_100011218427 [0,1,0,0,0,0|2,0,0]=3 6657 B12R0.234 C=CCCCCCCOCC(C)O 7a_200011216477_100011218427 [0,1,0,0,0,0|2,0,0]=3 6658 B12R0.234 C=CCCCCCCOCC(F)F 34a_100000743014_100011215473 [0,1,0,0,0,0|3,0,0]=4 6659 B12R0.234 C=CCCCCCCOCC(F)F 34a_200011216477_100011934356 [0,1,0,0,0,0|3,0,0]=4 6660 B12R0.234 C=CCCCCCCOCC(F)F 7a_200011216477_100011934356 [0,1,0,0,0,0|3,0,0]=4 6661 B12R0.234 C=CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011215473 [0,1,0,0,0,0|2,0,0]=3 6662 B12R0.234 C=CCCCCCCOC[C@@H](C)N 34a_100000737577_100011215473 [0,1,0,0,0,0|2,0,0]=3 6663 B12R0.234 C=CCCCCCCOC[C@@H](C)O 34a_200011216477_100009817552 [0,1,0,0,0,0|2,0,0]=3 6664 B12R0.234 C=CCCCCCCOC[C@@H](C)O 7a_200011216477_100009817552 [0,1,0,0,0,0|2,0,0]=3 6665 B12R0.234 C=CCCCCCCSCC(=C)C 62a_100000748629_100011215473 [0,1,0,0,0,0|2,0,1]=4 6666 B12R0.234 C=CCCCCCCSCC(=C)C 62a_100011215473_100000211660 [0,1,0,0,0,0|2,0,1]=4 6667 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100000747473_100011215473 [0,1,0,0,0,0|1,0,2]=4 6668 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100011215473_100000747473 [0,1,0,0,0,0|1,0,2]=4 6669 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100011215473_100020667443 [0,1,0,0,0,0|1,0,2]=4 6670 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100020667443_100011215473 [0,1,0,0,0,0|1,0,2]=4 6671 B12R0.234 C=CCCCCCCSCC(C)C 62a_100000210624_100011215473 [0,1,0,0,0,0|2,0,0]=3 6672 B12R0.234 C=CCCCCCCSCC(C)C 62a_100011215473_100000210760 [0,1,0,0,0,0|2,0,0]=3 6673 B12R0.234 C=CCCCCCCSCC(C)O 62a_100011215473_100011218427 [0,1,0,0,0,0|2,0,0]=3 6674 B12R0.234 C=CCCCCCCSCC(C)O 62a_100011218427_100011215473 [0,1,0,0,0,0|2,0,0]=3 6675 B12R0.234 C=CCCCCCCSCC(F)F 62a_100011215473_100011934356 [0,1,0,0,0,0|3,0,0]=4 6676 B12R0.234 C=CCCCCCCSCC(F)F 62a_100011934356_100011215473 [0,1,0,0,0,0|3,0,0]=4 6677 B12R0.234 C=CCCCCCCSC[C@@H](C)O 62a_100009817552_100011215473 [0,1,0,0,0,0|2,0,0]=3 6678 B12R0.234 C=CCCCCCCSC[C@@H](C)O 62a_100011215473_100009817552 [0,1,0,0,0,0|2,0,0]=3 6679 B12R0.234 C=CCCCCCNCCC(C)O 2230a_200000755665_100000700193 [0,1,0,0,0,0|2,0,0]=3 6680 B12R0.234 C=CCCCCCOCCC(=C)C 34a_100000764851_100000700193 [0,1,0,0,0,0|2,0,1]=4 6681 B12R0.234 C=CCCCCCOCCC(=C)C 34a_100011216702_100000730704 [0,1,0,0,0,0|2,0,1]=4 6682 B12R0.234 C=CCCCCCOCCC(=C)C 7a_100011216702_100000730704 [0,1,0,0,0,0|2,0,1]=4 6683 B12R0.234 C=CCCCCCOCCC(=O)C 34a_100000759926_100000700193 [0,1,0,0,0,0|1,0,2]=4 6684 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100000759926_100000700193 [0,1,0,0,0,0|1,0,2]=4 6685 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100011216702_100000053229 [0,1,0,0,0,0|1,0,2]=4 6686 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100000757172_100000700193 [0,1,0,0,0,0|1,0,2]=4 6687 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100011216702_100000731001 [0,1,0,0,0,0|1,0,2]=4 6688 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100000757172_100000700193 [0,1,0,0,0,0|1,0,2]=4 6689 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100011216702_100000744528 [0,1,0,0,0,0|1,0,2]=4 6690 B12R0.234 C=CCCCCCOCCC(C)Br 34a_100009893172_100000700193 [0,1,0,0,0,0|2,0,0]=3 6691 B12R0.234 C=CCCCCCOCCC(C)C 34a_100000210254_100000700193 [0,1,0,0,0,0|2,0,0]=3 6692 B12R0.234 C=CCCCCCOCCC(C)C 34a_100011216702_100000210312 [0,1,0,0,0,0|2,0,0]=3 6693 B12R0.234 C=CCCCCCOCCC(C)C 7a_100000210254_100000700193 [0,1,0,0,0,0|2,0,0]=3 6694 B12R0.234 C=CCCCCCOCCC(C)C 7a_100011216702_100000210626 [0,1,0,0,0,0|2,0,0]=3 6695 B12R0.234 C=CCCCCCOCCC(C)O 34a_100011216702_100012276601 [0,1,0,0,0,0|2,0,0]=3 6696 B12R0.234 C=CCCCCCOCCC(C)O 7a_100011216702_100012276601 [0,1,0,0,0,0|2,0,0]=3 6697 B12R0.234 C=CCCCCCOCCC(F)F 34a_100103093639_100000700193 [0,1,0,0,0,0|3,0,0]=4 6698 B12R0.234 C=CCCCCCOCCN(C)C 7a_100011216702_100000755713 [0,1,0,0,0,0|3,0,0]=4 6699 B12R0.234 C=CCCCCCOCC[C@@H](C)N 34a_100000706166_100000700193 [0,1,0,0,0,0|2,0,0]=3 6700 B12R0.234 C=CCCCCCOCOC(C)C 34a_100011216702_100000709892 [0,1,0,0,0,0|3,0,0]=4 6701 B12R0.234 C=CCCCCCSCCC(=C)C 62a_100000700193_100000730704 [0,1,0,0,0,0|2,0,1]=4 6702 B12R0.234 C=CCCCCCSCCC(=C)C 62a_100000730704_100000700193 [0,1,0,0,0,0|2,0,1]=4 6703 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000053229_100000700193 [0,1,0,0,0,0|1,0,2]=4 6704 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000700193_100000053229 [0,1,0,0,0,0|1,0,2]=4 6705 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000700193_100000744528 [0,1,0,0,0,0|1,0,2]=4 6706 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000744528_100000700193 [0,1,0,0,0,0|1,0,2]=4 6707 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000210312_100000700193 [0,1,0,0,0,0|2,0,0]=3 6708 B12R0.234 C=CCCCCCSCCC(C)C 62a_100000700193_100000210312 [0,1,0,0,0,0|2,0,0]=3 6709 B12R0.234 C=CCCCCCSCCC(C)O 62a_100000700193_100012276601 [0,1,0,0,0,0|2,0,0]=3 6710 B12R0.234 C=CCCCCCSCCC(C)O 62a_100012276601_100000700193 [0,1,0,0,0,0|2,0,0]=3 6711 B12R0.234 C=CCCCCCSCCN(C)C 62a_100000700193_100000755713 [0,1,0,0,0,0|3,0,0]=4 6712 B12R0.234 C=CCCCCCSCOC(C)C 62a_100000700193_100000709892 [0,1,0,0,0,0|3,0,0]=4 6713 B12R0.234 C=CCCCCCSCOC(C)C 62a_100000709892_100000700193 [0,1,0,0,0,0|3,0,0]=4 6714 B12R0.234 C=CCCCCNCCCC(=O)C 34a_100000703577_100000685027 [0,1,0,0,0,0|1,0,2]=4 6715 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000703577_100102525003 [0,1,0,0,0,0|1,0,2]=4 6716 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000739312_100011215482 [0,1,0,0,0,0|1,0,2]=4 6717 B12R0.234 C=CCCCCNCCCC(C)C 2230a_100000703577_100011214892 [0,1,0,0,0,0|2,0,0]=3 6718 B12R0.234 C=CCCCCNCCCC(C)C 2230a_200000737386_100011215482 [0,1,0,0,0,0|2,0,0]=3 6719 B12R0.234 C=CCCCCNCCCC(C)C 34a_100000703577_100011214892 [0,1,0,0,0,0|2,0,0]=3 6720 B12R0.234 C=CCCCCNCCCC(C)C 34a_200000737386_100011215482 [0,1,0,0,0,0|2,0,0]=3 6721 B12R0.234 C=CCCCCNCCCC(C)O 2230a_100000703577_200000718107 [0,1,0,0,0,0|2,0,0]=3 6722 B12R0.234 C=CCCCCNCCCC(C)O 34a_100000703577_200000718107 [0,1,0,0,0,0|2,0,0]=3 6723 B12R0.234 C=CCCCCNCCCS(=O)C 2230a_200000753449_100011215482 [0,1,0,0,0,0|3,0,0]=4 6724 B12R0.234 C=CCCCCNCCOC(C)C 2230a_100000701111_100011215482 [0,1,0,0,0,0|3,0,0]=4 6725 B12R0.234 C=CCCCCNCCOC(C)C 2230a_100000703577_100000211751 [0,1,0,0,0,0|3,0,0]=4 6726 B12R0.234 C=CCCCCNCCOC(C)C 34a_100000701111_100011215482 [0,1,0,0,0,0|3,0,0]=4 6727 B12R0.234 C=CCCCCNCCOC(C)C 34a_100000703577_100000211751 [0,1,0,0,0,0|3,0,0]=4 6728 B12R0.234 C=CCCCCNCCSC(C)C 2230a_100000703577_100000730970 [0,1,0,0,0,0|3,0,0]=4 6729 B12R0.234 C=CCCCCNCCSC(C)C 2230a_100000731138_100011215482 [0,1,0,0,0,0|3,0,0]=4 6730 B12R0.234 C=CCCCCNCCSC(C)C 34a_100000703577_100000730970 [0,1,0,0,0,0|3,0,0]=4 6731 B12R0.234 C=CCCCCNCCSC(C)C 34a_100000731138_100011215482 [0,1,0,0,0,0|3,0,0]=4 6732 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000759063_100011215482 [0,1,0,0,0,0|1,0,2]=4 6733 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000766645_100000685027 [0,1,0,0,0,0|1,0,2]=4 6734 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000759063_100011215482 [0,1,0,0,0,0|1,0,2]=4 6735 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000766645_100011215641 [0,1,0,0,0,0|1,0,2]=4 6736 B12R0.234 C=CCCCCOCCCC(=O)N 34a_100000766645_100102525003 [0,1,0,0,0,0|1,0,2]=4 6737 B12R0.234 C=CCCCCOCCCC(=O)N 7a_100000766645_100102525003 [0,1,0,0,0,0|1,0,2]=4 6738 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000210774_100011215482 [0,1,0,0,0,0|2,0,0]=3 6739 B12R0.234 C=CCCCCOCCCC(C)C 34a_100000766645_100011214892 [0,1,0,0,0,0|2,0,0]=3 6740 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000210774_100011215482 [0,1,0,0,0,0|2,0,0]=3 6741 B12R0.234 C=CCCCCOCCCC(C)C 7a_100000766645_100011214892 [0,1,0,0,0,0|2,0,0]=3 6742 B12R0.234 C=CCCCCOCCCC(C)O 34a_100000766645_200000718107 [0,1,0,0,0,0|2,0,0]=3 6743 B12R0.234 C=CCCCCOCCCC(C)O 7a_100000766645_200000718107 [0,1,0,0,0,0|2,0,0]=3 6744 B12R0.234 C=CCCCCOCCCN(C)C 7a_100000766645_100000757444 [0,1,0,0,0,0|3,0,0]=4 6745 B12R0.234 C=CCCCCOCCNC(C)C 34a_100000224655_100011215482 [0,1,0,0,0,0|3,0,0]=4 6746 B12R0.234 C=CCCCCOCCOC(C)C 34a_100000211219_100011215482 [0,1,0,0,0,0|3,0,0]=4 6747 B12R0.234 C=CCCCCOCCOC(C)C 34a_100000766645_100000211751 [0,1,0,0,0,0|3,0,0]=4 6748 B12R0.234 C=CCCCCOCCOC(C)C 7a_100000211219_100011215482 [0,1,0,0,0,0|3,0,0]=4 6749 B12R0.234 C=CCCCCOCCOC(C)C 7a_100000766645_100000211751 [0,1,0,0,0,0|3,0,0]=4 6750 B12R0.234 C=CCCCCOCCSC(C)C 34a_100000766645_100000730970 [0,1,0,0,0,0|3,0,0]=4 6751 B12R0.234 C=CCCCCOCCSC(C)C 34a_200011212901_100011215482 [0,1,0,0,0,0|3,0,0]=4 6752 B12R0.234 C=CCCCCOCCSC(C)C 7a_100000766645_100000730970 [0,1,0,0,0,0|3,0,0]=4 6753 B12R0.234 C=CCCCCOCCSC(C)C 7a_200011212901_100011215482 [0,1,0,0,0,0|3,0,0]=4 6754 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215482_100011215641 [0,1,0,0,0,0|1,0,2]=4 6755 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215641_100011215482 [0,1,0,0,0,0|1,0,2]=4 6756 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100011215482_100102525003 [0,1,0,0,0,0|1,0,2]=4 6757 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100102525003_100011215482 [0,1,0,0,0,0|1,0,2]=4 6758 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011214892_100011215482 [0,1,0,0,0,0|2,0,0]=3 6759 B12R0.234 C=CCCCCSCCCC(C)C 62a_100011215482_100011214892 [0,1,0,0,0,0|2,0,0]=3 6760 B12R0.234 C=CCCCCSCCCC(C)O 62a_100011215482_200000718107 [0,1,0,0,0,0|2,0,0]=3 6761 B12R0.234 C=CCCCCSCCCC(C)O 62a_200000718107_100011215482 [0,1,0,0,0,0|2,0,0]=3 6762 B12R0.234 C=CCCCCSCCCN(C)C 62a_100011215482_100000757444 [0,1,0,0,0,0|3,0,0]=4 6763 B12R0.234 C=CCCCCSCCOC(C)C 62a_100000211751_100011215482 [0,1,0,0,0,0|3,0,0]=4 6764 B12R0.234 C=CCCCCSCCOC(C)C 62a_100011215482_100000211751 [0,1,0,0,0,0|3,0,0]=4 6765 B12R0.234 C=CCCCCSCCSC(C)C 62a_100000730970_100011215482 [0,1,0,0,0,0|3,0,0]=4 6766 B12R0.234 C=CCCCCSCCSC(C)C 62a_100011215482_100000730970 [0,1,0,0,0,0|3,0,0]=4 6767 B12R0.234 C=CCCCNCCCCC(=O)C 34a_100000700776_100009817362 [0,1,0,0,0,0|1,0,2]=4 6768 B12R0.234 C=CCCCNCCCCC(=O)N 34a_100000696515_100000757094 [0,1,0,0,0,0|1,0,2]=4 6769 B12R0.234 C=CCCCNCCCCC(C)C 2230a_100000700776_100011216152 [0,1,0,0,0,0|2,0,0]=3 6770 B12R0.234 C=CCCCNCCCCC(C)C 34a_100000700776_100011216152 [0,1,0,0,0,0|2,0,0]=3 6771 B12R0.234 C=CCCCNCCCOC(C)C 2230a_100000737246_100011713584 [0,1,0,0,0,0|3,0,0]=4 6772 B12R0.234 C=CCCCNCCCOC(C)C 34a_100000737246_100000757094 [0,1,0,0,0,0|3,0,0]=4 6773 B12R0.234 C=CCCCOCCCCC(=O)C 34a_100000758997_100009817362 [0,1,0,0,0,0|1,0,2]=4 6774 B12R0.234 C=CCCCOCCCCC(=O)C 7a_100000758997_100000735457 [0,1,0,0,0,0|1,0,2]=4 6775 B12R0.234 C=CCCCOCCCCC(=O)N 34a_100012022536_100000757094 [0,1,0,0,0,0|1,0,2]=4 6776 B12R0.234 C=CCCCOCCCCC(=O)N 7a_100012022536_100000757094 [0,1,0,0,0,0|1,0,2]=4 6777 B12R0.234 C=CCCCOCCCCC(C)C 34a_100000758997_100011216152 [0,1,0,0,0,0|2,0,0]=3 6778 B12R0.234 C=CCCCOCCCCC(C)C 34a_100011214890_100000757094 [0,1,0,0,0,0|2,0,0]=3 6779 B12R0.234 C=CCCCOCCCCC(C)C 7a_100000758997_100011216152 [0,1,0,0,0,0|2,0,0]=3 6780 B12R0.234 C=CCCCOCCCCC(C)C 7a_100011214890_100000757094 [0,1,0,0,0,0|2,0,0]=3 6781 B12R0.234 C=CCCCOCCCNC(C)C 34a_100000182298_100000757094 [0,1,0,0,0,0|3,0,0]=4 6782 B12R0.234 C=CCCCOCCNCC(C)C 34a_100015185251_100000757094 [0,1,0,0,0,0|3,0,0]=4 6783 B12R0.234 C=CCCCOCCOCC(C)C 34a_100000703358_100000757094 [0,1,0,0,0,0|3,0,0]=4 6784 B12R0.234 C=CCCCOCCOCC(C)C 7a_100000703358_100000757094 [0,1,0,0,0,0|3,0,0]=4 6785 B12R0.234 C=CCCCOCCSCC(C)C 34a_200000230437_100000757094 [0,1,0,0,0,0|3,0,0]=4 6786 B12R0.234 C=CCCCOCCSCC(C)C 7a_200000230437_100000757094 [0,1,0,0,0,0|3,0,0]=4 6787 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100000735457_100000757094 [0,1,0,0,0,0|1,0,2]=4 6788 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100011713584_100000735457 [0,1,0,0,0,0|1,0,2]=4 6789 B12R0.234 C=CCCCSCCCCC(C)C 62a_100011216152_100000757094 [0,1,0,0,0,0|2,0,0]=3 6790 B12R0.234 C=CCCCSCCCCC(C)C 62a_100011713584_100011216152 [0,1,0,0,0,0|2,0,0]=3 6791 B12R0.234 C=CCCCSCCCCN(C)C 62a_100011713584_100000690147 [0,1,0,0,0,0|3,0,0]=4 6792 B12R0.234 C=CCCNCCCCCC(=O)N 2230a_100015191253_100009817443 [0,1,0,0,0,0|1,0,2]=4 6793 B12R0.234 C=CCCNCCCCCC(C)C 2230a_100011290863_100000754431 [0,1,0,0,0,0|2,0,0]=3 6794 B12R0.234 C=CCCNCCCCCC(C)C 2230a_100015191253_100000210682 [0,1,0,0,0,0|2,0,0]=3 6795 B12R0.234 C=CCCNCCCCCC(C)C 34a_100011290863_100000754431 [0,1,0,0,0,0|2,0,0]=3 6796 B12R0.234 C=CCCNCCCOCC(C)C 2230a_100000205972_100000754431 [0,1,0,0,0,0|3,0,0]=4 6797 B12R0.234 C=CCCNCCCOCC(C)C 34a_100000205972_100000754431 [0,1,0,0,0,0|3,0,0]=4 6798 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100000123541_100000754431 [0,1,0,0,0,0|1,0,2]=4 6799 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100011205117_100009817443 [0,1,0,0,0,0|1,0,2]=4 6800 B12R0.234 C=CCCOCCCCCC(=O)N 7a_100000123541_100000754431 [0,1,0,0,0,0|1,0,2]=4 6801 B12R0.234 C=CCCOCCCCCC(=O)[O-] 7a_100102619762_100000754431 [0,1,0,0,0,0|1,0,2]=4 6802 B12R0.234 C=CCCOCCCCCC(C)C 34a_100011205117_100000210682 [0,1,0,0,0,0|2,0,0]=3 6803 B12R0.234 C=CCCOCCCCCC(C)C 34a_100011995859_100000754431 [0,1,0,0,0,0|2,0,0]=3 6804 B12R0.234 C=CCCOCCCCCC(C)C 7a_100011995859_100000754431 [0,1,0,0,0,0|2,0,0]=3 6805 B12R0.234 C=CCCOCCCCNC(C)C 34a_100011521146_100000754431 [0,1,0,0,0,0|3,0,0]=4 6806 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100000754431_100009817443 [0,1,0,0,0,0|1,0,2]=4 6807 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100009817443_100000754431 [0,1,0,0,0,0|1,0,2]=4 6808 B12R0.234 C=CCCSCCCCCC(C)C 62a_100000210682_100000754431 [0,1,0,0,0,0|2,0,0]=3 6809 B12R0.234 C=CCCSCCCCCC(C)C 62a_100000754431_100000210682 [0,1,0,0,0,0|2,0,0]=3 6810 B12R0.234 C=CCNCCCCCCC(C)C 2230a_100000211014_100000210623 [0,1,0,0,0,0|2,0,0]=3 6811 B12R0.234 C=CCNCCCCCCC(C)C 34a_100000211014_100015514636 [0,1,0,0,0,0|2,0,0]=3 6812 B12R0.234 C=CCOCCCCCNC(C)C 34a_100011629493_100015514636 [0,1,0,0,0,0|3,0,0]=4 6813 B12R0.234 C=CCOCCOCCCC(C)C 34a_100000037705_100011214892 [0,1,0,0,0,0|3,0,0]=4 6814 B12R0.234 C=CCOCCOCCCC(C)C 7a_100000037705_100011214892 [0,1,0,0,0,0|3,0,0]=4 6815 B12R0.234 C=CCOCCOCCCC(C)O 34a_100000037705_200000718107 [0,1,0,0,0,0|3,0,0]=4 6816 B12R0.234 C=CCOCCOCCCC(C)O 7a_100000037705_200000718107 [0,1,0,0,0,0|3,0,0]=4 6817 B12R0.234 C=COCCCCOCCC(C)C 34a_100000031558_100000210312 [0,1,0,0,0,0|3,0,0]=4 6818 B12R0.234 C=COCCCCOCCC(C)C 7a_100000031558_100000210626 [0,1,0,0,0,0|3,0,0]=4 6819 B12R0.234 C=COCCCCOCCC(C)O 34a_100000031558_100012276601 [0,1,0,0,0,0|3,0,0]=4 6820 B12R0.234 C=COCCCCOCCC(C)O 7a_100000031558_100012276601 [0,1,0,0,0,0|3,0,0]=4 6821 B12R0.234 C=COCCCNCCCC(C)C 2230a_100000210767_100011214892 [0,1,0,0,0,0|3,0,0]=4 6822 B12R0.234 C=COCCCNCCCC(C)C 34a_100000210767_100011214892 [0,1,0,0,0,0|3,0,0]=4 6823 B12R0.234 C=COCCCNCCCC(C)O 2230a_100000210767_200000718107 [0,1,0,0,0,0|3,0,0]=4 6824 B12R0.234 C=COCCCNCCCC(C)O 34a_100000210767_200000718107 [0,1,0,0,0,0|3,0,0]=4 6825 B12R0.234 C=COCCOCCCCC(C)C 34a_100000033082_100011216152 [0,1,0,0,0,0|3,0,0]=4 6826 B12R0.234 C=COCCOCCCCC(C)C 34a_100011214890_100000039644 [0,1,0,0,0,0|3,0,0]=4 6827 B12R0.234 C=COCCOCCCCC(C)C 7a_100011214890_100000039644 [0,1,0,0,0,0|3,0,0]=4 6828 B12R0.234 C=COCCSCCCCC(C)C 62a_100000039644_100011216152 [0,1,0,0,0,0|3,0,0]=4 6829 B12R0.234 C=COCCSCCCCC(C)C 62a_100011216152_100000039644 [0,1,0,0,0,0|3,0,0]=4 6830 B12R0.234 CC#CCCCCCCCC(=O)C 1458a_100000066323_200000210301 [0,1,0,0,0,0|0,0,2]=3 6831 B12R0.234 CC#CCCCCCCCC(=O)[13CH3] 1458a_100000066323_200025704644 [0,1,0,0,0,0|0,0,2]=3 6832 B12R0.234 CC#CCCOCCCCC(=O)C 34a_100000750427_100009817362 [0,1,0,0,0,0|1,0,2]=4 6833 B12R0.234 CC#CCNCCCCCC(=O)N 2230a_100000685387_100009817443 [0,1,0,0,0,0|1,0,2]=4 6834 B12R0.234 CC#CCNCCCCCC(=O)N 34a_100000685387_100009817443 [0,1,0,0,0,0|1,0,2]=4 6835 B12R0.234 CC#CCOCCCCCC(=O)N 34a_100000123541_100000748600 [0,1,0,0,0,0|1,0,2]=4 6836 B12R0.234 CC#CCOCCCCCC(=O)N 34a_100000761923_100009817443 [0,1,0,0,0,0|1,0,2]=4 6837 B12R0.234 CC#CCOCCCCCC(=O)N 7a_100000123541_100000748600 [0,1,0,0,0,0|1,0,2]=4 6838 B12R0.234 CC#CCOCCCCCC(=O)[O-] 7a_100102619762_100000748600 [0,1,0,0,0,0|1,0,2]=4 6839 B12R0.234 CC#CCSCCCCCC(=O)N 62a_100000748600_100009817443 [0,1,0,0,0,0|1,0,2]=4 6840 B12R0.234 CC#CCSCCCCCC(=O)N 62a_100009817443_100000748600 [0,1,0,0,0,0|1,0,2]=4 6841 B12R0.234 CC(=CCCSCCCCC=O)C 62a_100000139335_100011217483 [0,1,0,0,0,0|1,0,2]=4 6842 B12R0.234 CC(=CCCSCCCCC=O)C 62a_100011217483_100000139335 [0,1,0,0,0,0|1,0,2]=4 6843 B12R0.234 CC(=CCSCCCCCC=O)C 62a_100000139337_100000761012 [0,1,0,0,0,0|1,0,2]=4 6844 B12R0.234 CC(=CCSCCCCCC=O)C 62a_100000761012_100000139337 [0,1,0,0,0,0|1,0,2]=4 6845 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [0,1,0,0,0,0|1,0,0]=2 6846 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [0,1,0,0,0,0|1,0,0]=2 6847 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [0,1,0,0,0,0|2,0,0]=3 6848 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [0,1,0,0,0,0|2,0,0]=3 6849 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [0,1,0,0,0,0|2,0,0]=3 6850 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [0,1,0,0,0,0|2,0,0]=3 6851 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [0,1,0,0,0,0|2,0,0]=3 6852 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [0,1,0,0,0,0|2,0,0]=3 6853 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [0,1,0,0,0,0|2,0,0]=3 6854 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [0,1,0,0,0,0|2,0,0]=3 6855 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000687738_100000735457 [0,1,0,0,0,0|2,0,1]=4 6856 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000735457_100000687738 [0,1,0,0,0,0|2,0,1]=4 6857 B12R0.234 CC(=O)CCCCSCCCC=O 62a_100000735457_200011292268 [0,1,0,0,0,0|1,0,1]=3 6858 B12R0.234 CC(=O)CCCCSCCCC=O 62a_200011292268_100000735457 [0,1,0,0,0,0|1,0,1]=3 6859 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [0,1,0,0,0,0|2,0,0]=3 6860 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [0,1,0,0,0,0|2,0,0]=3 6861 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [0,1,0,0,0,0|2,0,0]=3 6862 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [0,1,0,0,0,0|2,0,0]=3 6863 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [0,1,0,0,0,0|2,0,0]=3 6864 B12R0.234 CC(=O)CCCNCCOCCO 34a_100000211614_100000685027 [0,1,0,0,0,0|3,0,0]=4 6865 B12R0.234 CC(=O)CCCOCCCCC#N 7a_100000759063_100000211819 [0,1,0,0,0,0|2,0,1]=4 6866 B12R0.234 CC(=O)CCCOCCCCC=O 7a_100000759063_100000139335 [0,1,0,0,0,0|1,0,1]=3 6867 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [0,1,0,0,0,0|2,0,0]=3 6868 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [0,1,0,0,0,0|2,0,0]=3 6869 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [0,1,0,0,0,0|2,0,0]=3 6870 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [0,1,0,0,0,0|2,0,0]=3 6871 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [0,1,0,0,0,0|2,0,0]=3 6872 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [0,1,0,0,0,0|2,0,0]=3 6873 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [0,1,0,0,0,0|2,0,0]=3 6874 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [0,1,0,0,0,0|2,0,0]=3 6875 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [0,1,0,0,0,0|2,0,0]=3 6876 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [0,1,0,0,0,0|2,0,0]=3 6877 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [0,1,0,0,0,0|2,0,0]=3 6878 B12R0.234 CC(=O)CCCOCCOCCBr 34a_100000692535_100000685027 [0,1,0,0,0,0|3,0,0]=4 6879 B12R0.234 CC(=O)CCCOCCOCCBr 7a_100000692535_100011215641 [0,1,0,0,0,0|3,0,0]=4 6880 B12R0.234 CC(=O)CCCOCCOCCCl 34a_100011215305_100000685027 [0,1,0,0,0,0|3,0,0]=4 6881 B12R0.234 CC(=O)CCCOCCOCCCl 7a_100011215305_100011215641 [0,1,0,0,0,0|3,0,0]=4 6882 B12R0.234 CC(=O)CCCOCCOCCF 34a_200015357709_100000685027 [0,1,0,0,0,0|3,0,0]=4 6883 B12R0.234 CC(=O)CCCOCCOCCF 7a_200015357709_100011215641 [0,1,0,0,0,0|3,0,0]=4 6884 B12R0.234 CC(=O)CCCOCCOCCI 34a_100012149058_100000685027 [0,1,0,0,0,0|3,0,0]=4 6885 B12R0.234 CC(=O)CCCOCCOCCI 7a_100012149058_100011215641 [0,1,0,0,0,0|3,0,0]=4 6886 B12R0.234 CC(=O)CCCOCCOCCN 34a_100000211614_100000685027 [0,1,0,0,0,0|3,0,0]=4 6887 B12R0.234 CC(=O)CCCOCCOCCO 34a_100000759063_100000692535 [0,1,0,0,0,0|3,0,0]=4 6888 B12R0.234 CC(=O)CCCOCCOCCO 7a_100000759063_100011215305 [0,1,0,0,0,0|3,0,0]=4 6889 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011215641_100000211819 [0,1,0,0,0,0|2,0,1]=4 6890 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011219923_100011215641 [0,1,0,0,0,0|2,0,1]=4 6891 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100000139335_100011215641 [0,1,0,0,0,0|1,0,1]=3 6892 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100011215641_100000139335 [0,1,0,0,0,0|1,0,1]=3 6893 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [0,1,0,0,0,0|2,0,0]=3 6894 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [0,1,0,0,0,0|2,0,0]=3 6895 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [0,1,0,0,0,0|2,0,0]=3 6896 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [0,1,0,0,0,0|2,0,0]=3 6897 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215305_100011215641 [0,1,0,0,0,0|3,0,0]=4 6898 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215641_100011215305 [0,1,0,0,0,0|3,0,0]=4 6899 B12R0.234 CC(=O)CCOCCCCCC#N 7a_100000759926_100009813376 [0,1,0,0,0,0|2,0,1]=4 6900 B12R0.234 CC(=O)CCOCCCCCC=O 7a_100000759926_100000139337 [0,1,0,0,0,0|1,0,1]=3 6901 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [0,1,0,0,0,0|2,0,0]=3 6902 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [0,1,0,0,0,0|2,0,0]=3 6903 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [0,1,0,0,0,0|2,0,0]=3 6904 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [0,1,0,0,0,0|2,0,0]=3 6905 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [0,1,0,0,0,0|2,0,0]=3 6906 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [0,1,0,0,0,0|2,0,0]=3 6907 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [0,1,0,0,0,0|2,0,0]=3 6908 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100000053229_100009813376 [0,1,0,0,0,0|2,0,1]=4 6909 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100009813376_100000053229 [0,1,0,0,0,0|2,0,1]=4 6910 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000053229_100000139337 [0,1,0,0,0,0|1,0,1]=3 6911 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000139337_100000053229 [0,1,0,0,0,0|1,0,1]=3 6912 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [0,1,0,0,0,0|2,0,0]=3 6913 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [0,1,0,0,0,0|2,0,0]=3 6914 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [0,1,0,0,0,0|2,0,0]=3 6915 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [0,1,0,0,0,0|2,0,0]=3 6916 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [0,1,0,0,0,0|2,0,0]=3 6917 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [0,1,0,0,0,0|2,0,0]=3 6918 B12R0.234 CC(=O)NCCCCCCNCF 34a_200011996284_100015361967 [0,1,0,0,0,0|3,0,0]=4 6919 B12R0.234 CC(=O)NCCCCCNCC=O 2230a_200012022750_200015260668 [0,1,0,0,0,0|2,0,1]=4 6920 B12R0.234 CC(=O)NCCCCCNCC=O 34a_200012022750_200009817547 [0,1,0,0,0,0|2,0,1]=4 6921 B12R0.234 CC(=O)NCCCCCNCCF 2230a_200012022750_100011217306 [0,1,0,0,0,0|3,0,0]=4 6922 B12R0.234 CC(=O)NCCCCCNCCF 34a_200012022750_100011217306 [0,1,0,0,0,0|3,0,0]=4 6923 B12R0.234 CC(=O)NCCCCCNCCO 2230a_200012022750_100000211926 [0,1,0,0,0,0|3,0,0]=4 6924 B12R0.234 CC(=O)NCCCCCNCCO 34a_200012022750_100000211926 [0,1,0,0,0,0|3,0,0]=4 6925 B12R0.234 CC(=O)NCCCCNCCCF 2230a_200011368371_100011934791 [0,1,0,0,0,0|3,0,0]=4 6926 B12R0.234 CC(=O)NCCCCNCCCF 34a_200011368371_100011934791 [0,1,0,0,0,0|3,0,0]=4 6927 B12R0.234 CC(=O)NCCCCNCCCO 2230a_200011368371_100000230001 [0,1,0,0,0,0|3,0,0]=4 6928 B12R0.234 CC(=O)NCCCCNCCCO 34a_200011368371_100000230001 [0,1,0,0,0,0|3,0,0]=4 6929 B12R0.234 CC(=O)NCCCNCCCCF 34a_100000736810_100000729493 [0,1,0,0,0,0|3,0,0]=4 6930 B12R0.234 CC(=O)NCCCNCCCCO 34a_100000736810_100011216708 [0,1,0,0,0,0|3,0,0]=4 6931 B12R0.234 CC(=O)NCCCOCCCCF 34a_100000752032_100000729493 [0,1,0,0,0,0|3,0,0]=4 6932 B12R0.234 CC(=O)NCCCOCCCCO 34a_100000752032_100011216708 [0,1,0,0,0,0|3,0,0]=4 6933 B12R0.234 CC(=O)NCCNCCCCC=O 2230a_100000209853_100000139335 [0,1,0,0,0,0|2,0,1]=4 6934 B12R0.234 CC(=O)NCCNCCCCCF 2230a_100000209853_100000729378 [0,1,0,0,0,0|3,0,0]=4 6935 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000209853_100000746330 [0,1,0,0,0,0|3,0,0]=4 6936 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000762737_100000189650 [0,1,0,0,0,0|3,0,0]=4 6937 B12R0.234 CC(=O)NCCOCCCCCBr 7a_100000746331_100000189650 [0,1,0,0,0,0|3,0,0]=4 6938 B12R0.234 CC(=O)NCCOCCCCCCl 7a_100000746330_100000189650 [0,1,0,0,0,0|3,0,0]=4 6939 B12R0.234 CC(=O)NCCOCCCCCF 34a_100000158858_100000729378 [0,1,0,0,0,0|3,0,0]=4 6940 B12R0.234 CC(=O)NCCOCCCCCI 7a_200012148887_100000189650 [0,1,0,0,0,0|3,0,0]=4 6941 B12R0.234 CC(=O)NCCOCCCCCO 34a_100000158858_100000746330 [0,1,0,0,0,0|3,0,0]=4 6942 B12R0.234 CC(=O)NCCSCCCCC=O 62a_100000139335_100000189650 [0,1,0,0,0,0|2,0,1]=4 6943 B12R0.234 CC(=O)NCCSCCCCC=O 62a_100000189650_100000139335 [0,1,0,0,0,0|2,0,1]=4 6944 B12R0.234 CC(=O)NCCSCCCCCF 62a_100000189650_100000729378 [0,1,0,0,0,0|3,0,0]=4 6945 B12R0.234 CC(=O)NCCSCCCCCF 62a_100000729378_100000189650 [0,1,0,0,0,0|3,0,0]=4 6946 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000189650_100000746330 [0,1,0,0,0,0|3,0,0]=4 6947 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000746330_100000189650 [0,1,0,0,0,0|3,0,0]=4 6948 B12R0.234 CC(=O)OCCCCCNCCF 34a_100000724931_100000033007 [0,1,0,0,0,0|3,0,0]=4 6949 B12R0.234 CC(=O)OCCCCCNCCO 2230a_100016997473_100009813381 [0,1,0,0,0,0|3,0,0]=4 6950 B12R0.234 CC(=O)OCCCCCNCCO 34a_100016990907_100000033007 [0,1,0,0,0,0|3,0,0]=4 6951 B12R0.234 CC(=O)OCCCCCOCCBr 34a_100000211926_100000033007 [0,1,0,0,0,0|3,0,0]=4 6952 B12R0.234 CC(=O)OCCCCCOCCN 34a_100000210304_100000033007 [0,1,0,0,0,0|3,0,0]=4 6953 B12R0.234 CC(=O)OCCCCCSCC=O 62a_100000033007_200015260668 [0,1,0,0,0,0|2,0,1]=4 6954 B12R0.234 CC(=O)OCCCCCSCC=O 62a_200015260668_100000033007 [0,1,0,0,0,0|2,0,1]=4 6955 B12R0.234 CC(=O)OCCCCCSCCF 62a_100000033007_100011217306 [0,1,0,0,0,0|3,0,0]=4 6956 B12R0.234 CC(=O)OCCCCCSCCF 62a_100011217306_100000033007 [0,1,0,0,0,0|3,0,0]=4 6957 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000033007_100000211926 [0,1,0,0,0,0|3,0,0]=4 6958 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000211926_100000033007 [0,1,0,0,0,0|3,0,0]=4 6959 B12R0.234 CC(=O)OCCCCNCCCF 34a_100015189416_100000033659 [0,1,0,0,0,0|3,0,0]=4 6960 B12R0.234 CC(=O)OCCCCOCCCBr 34a_100011217188_100000033659 [0,1,0,0,0,0|3,0,0]=4 6961 B12R0.234 CC(=O)OCCCCOCCCCl 34a_100000230001_100000033659 [0,1,0,0,0,0|3,0,0]=4 6962 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000073216_100011934791 [0,1,0,0,0,0|3,0,0]=4 6963 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000759539_100000033659 [0,1,0,0,0,0|3,0,0]=4 6964 B12R0.234 CC(=O)OCCCCOCCCF 7a_100000073216_100011934791 [0,1,0,0,0,0|3,0,0]=4 6965 B12R0.234 CC(=O)OCCCCOCCCN 34a_100000182051_100000033659 [0,1,0,0,0,0|3,0,0]=4 6966 B12R0.234 CC(=O)OCCCCOCCCO 34a_100000073216_100000230001 [0,1,0,0,0,0|3,0,0]=4 6967 B12R0.234 CC(=O)OCCCCOCCCO 7a_100000073216_100011215043 [0,1,0,0,0,0|3,0,0]=4 6968 B12R0.234 CC(=O)OCCCCSCCCF 62a_100000033659_100011934791 [0,1,0,0,0,0|3,0,0]=4 6969 B12R0.234 CC(=O)OCCCCSCCCF 62a_100011934791_100000033659 [0,1,0,0,0,0|3,0,0]=4 6970 B12R0.234 CC(=O)OCCCCSCCCO 62a_100000033659_100011215043 [0,1,0,0,0,0|3,0,0]=4 6971 B12R0.234 CC(=O)OCCCCSCCCO 62a_100011215043_100000033659 [0,1,0,0,0,0|3,0,0]=4 6972 B12R0.234 CC(=O)OCCCNCCCCO 34a_100000750430_100000042594 [0,1,0,0,0,0|3,0,0]=4 6973 B12R0.234 CC(=O)OCCCOCCCCBr 34a_100011216708_100000042594 [0,1,0,0,0,0|3,0,0]=4 6974 B12R0.234 CC(=O)OCCCOCCCCCl 34a_100000210776_100000042594 [0,1,0,0,0,0|3,0,0]=4 6975 B12R0.234 CC(=O)OCCCOCCCCCl 7a_100000210776_100000042594 [0,1,0,0,0,0|3,0,0]=4 6976 B12R0.234 CC(=O)OCCCOCCCCF 34a_100011995726_100000042594 [0,1,0,0,0,0|3,0,0]=4 6977 B12R0.234 CC(=O)OCCCOCCCCF 7a_100011995726_100000042594 [0,1,0,0,0,0|3,0,0]=4 6978 B12R0.234 CC(=O)OCCCOCCCCI 34a_200012148704_100000042594 [0,1,0,0,0,0|3,0,0]=4 6979 B12R0.234 CC(=O)OCCCOCCCCN 34a_100000750430_100000042594 [0,1,0,0,0,0|3,0,0]=4 6980 B12R0.234 CC(=O)OCCCSCCCC=O 62a_100000042594_200011292268 [0,1,0,0,0,0|2,0,1]=4 6981 B12R0.234 CC(=O)OCCCSCCCC=O 62a_200011292268_100000042594 [0,1,0,0,0,0|2,0,1]=4 6982 B12R0.234 CC(=O)OCCCSCCCCF 62a_100000042594_100000729493 [0,1,0,0,0,0|3,0,0]=4 6983 B12R0.234 CC(=O)OCCCSCCCCF 62a_100000729493_100000042594 [0,1,0,0,0,0|3,0,0]=4 6984 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000042594_100000210776 [0,1,0,0,0,0|3,0,0]=4 6985 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000210776_100000042594 [0,1,0,0,0,0|3,0,0]=4 6986 B12R0.234 CC(=O)OCCNCCCCCO 34a_100000762737_100009814007 [0,1,0,0,0,0|3,0,0]=4 6987 B12R0.234 CC(=O)OCCOCCCCCBr 34a_100000746331_100009814007 [0,1,0,0,0,0|3,0,0]=4 6988 B12R0.234 CC(=O)OCCOCCCCCBr 7a_100000746331_100009814007 [0,1,0,0,0,0|3,0,0]=4 6989 B12R0.234 CC(=O)OCCOCCCCCCl 34a_100000746330_100009814007 [0,1,0,0,0,0|3,0,0]=4 6990 B12R0.234 CC(=O)OCCOCCCCCCl 7a_100000746330_100009814007 [0,1,0,0,0,0|3,0,0]=4 6991 B12R0.234 CC(=O)OCCOCCCCCI 34a_200012148887_100009814007 [0,1,0,0,0,0|3,0,0]=4 6992 B12R0.234 CC(=O)OCCOCCCCCI 7a_200012148887_100009814007 [0,1,0,0,0,0|3,0,0]=4 6993 B12R0.234 CC(=O)OCCOCCCCCN 34a_100000762737_100009814007 [0,1,0,0,0,0|3,0,0]=4 6994 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100000139335_100009814007 [0,1,0,0,0,0|2,0,1]=4 6995 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100009814007_100000139335 [0,1,0,0,0,0|2,0,1]=4 6996 B12R0.234 CC(=O)OCCSCCCCCF 62a_100000729378_100009814007 [0,1,0,0,0,0|3,0,0]=4 6997 B12R0.234 CC(=O)OCCSCCCCCF 62a_100009814007_100000729378 [0,1,0,0,0,0|3,0,0]=4 6998 B12R0.234 CC(=O)OCCSCCCCCO 62a_100000746330_100009814007 [0,1,0,0,0,0|3,0,0]=4 6999 B12R0.234 CC(=O)OCCSCCCCCO 62a_100009814007_100000746330 [0,1,0,0,0,0|3,0,0]=4 7000 B12R0.234 CC(=O)OCNCCCCCCO 34a_100000686447_100009813279 [0,1,0,0,0,0|3,0,0]=4 7001 B12R0.234 CC(=O)OCOCCCCCCBr 34a_100011215345_100009813279 [0,1,0,0,0,0|3,0,0]=4 7002 B12R0.234 CC(=O)OCOCCCCCCCl 34a_100000766143_100009813279 [0,1,0,0,0,0|3,0,0]=4 7003 B12R0.234 CC(=O)OCOCCCCCCF 34a_100000732779_100009813279 [0,1,0,0,0,0|3,0,0]=4 7004 B12R0.234 CC(=O)OCOCCCCCCN 34a_100000686447_100009813279 [0,1,0,0,0,0|3,0,0]=4 7005 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000076356_100000139337 [0,1,0,0,0,0|2,0,1]=4 7006 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000139337_100000076356 [0,1,0,0,0,0|2,0,1]=4 7007 B12R0.234 CC(=O)OCSCCCCCCF 62a_100000076356_100015922095 [0,1,0,0,0,0|3,0,0]=4 7008 B12R0.234 CC(=O)OCSCCCCCCF 62a_100015922095_100000076356 [0,1,0,0,0,0|3,0,0]=4 7009 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000076356_100000766143 [0,1,0,0,0,0|3,0,0]=4 7010 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000766143_100000076356 [0,1,0,0,0,0|3,0,0]=4 7011 B12R0.234 CC(=O)SCCCCNCCCF 2230a_100015189416_200010402107 [0,1,0,0,0,0|3,0,0]=4 7012 B12R0.234 CC(=O)SCCCCNCCCF 34a_100015189416_200010402107 [0,1,0,0,0,0|3,0,0]=4 7013 B12R0.234 CC(=O)SCCCCOCCCBr 34a_100011217188_200010402107 [0,1,0,0,0,0|3,0,0]=4 7014 B12R0.234 CC(=O)SCCCCOCCCCl 34a_100000230001_200010402107 [0,1,0,0,0,0|3,0,0]=4 7015 B12R0.234 CC(=O)SCCCCOCCCF 34a_100000759539_200010402107 [0,1,0,0,0,0|3,0,0]=4 7016 B12R0.234 CC(=O)SCCCCOCCCN 34a_100000182051_200010402107 [0,1,0,0,0,0|3,0,0]=4 7017 B12R0.234 CC(=O)SCCCCSCCCF 62a_100011934791_200010402107 [0,1,0,0,0,0|3,0,0]=4 7018 B12R0.234 CC(=O)SCCCCSCCCF 62a_200010402107_100011934791 [0,1,0,0,0,0|3,0,0]=4 7019 B12R0.234 CC(=O)SCCCCSCCCO 62a_100011215043_200010402107 [0,1,0,0,0,0|3,0,0]=4 7020 B12R0.234 CC(=O)SCCCCSCCCO 62a_200010402107_100011215043 [0,1,0,0,0,0|3,0,0]=4 7021 B12R0.234 CC(=O)SCCCNCCCCO 2230a_100000750430_100000038929 [0,1,0,0,0,0|3,0,0]=4 7022 B12R0.234 CC(=O)SCCCNCCCCO 34a_100000750430_100000038929 [0,1,0,0,0,0|3,0,0]=4 7023 B12R0.234 CC(=O)SCCCOCCCCBr 34a_100011216708_100000038929 [0,1,0,0,0,0|3,0,0]=4 7024 B12R0.234 CC(=O)SCCCOCCCCCl 34a_100000210776_100000038929 [0,1,0,0,0,0|3,0,0]=4 7025 B12R0.234 CC(=O)SCCCOCCCCCl 7a_100000210776_100000038929 [0,1,0,0,0,0|3,0,0]=4 7026 B12R0.234 CC(=O)SCCCOCCCCF 34a_100011995726_100000038929 [0,1,0,0,0,0|3,0,0]=4 7027 B12R0.234 CC(=O)SCCCOCCCCF 7a_100011995726_100000038929 [0,1,0,0,0,0|3,0,0]=4 7028 B12R0.234 CC(=O)SCCCOCCCCI 34a_200012148704_100000038929 [0,1,0,0,0,0|3,0,0]=4 7029 B12R0.234 CC(=O)SCCCOCCCCN 34a_100000750430_100000038929 [0,1,0,0,0,0|3,0,0]=4 7030 B12R0.234 CC(=O)SCCCSCCCC=O 62a_100000038929_200011292268 [0,1,0,0,0,0|2,0,1]=4 7031 B12R0.234 CC(=O)SCCCSCCCC=O 62a_200011292268_100000038929 [0,1,0,0,0,0|2,0,1]=4 7032 B12R0.234 CC(=O)SCCCSCCCCF 62a_100000038929_100000729493 [0,1,0,0,0,0|3,0,0]=4 7033 B12R0.234 CC(=O)SCCCSCCCCF 62a_100000729493_100000038929 [0,1,0,0,0,0|3,0,0]=4 7034 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000038929_100000210776 [0,1,0,0,0,0|3,0,0]=4 7035 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000210776_100000038929 [0,1,0,0,0,0|3,0,0]=4 7036 B12R0.234 CC(=S)OCCCSCCCC=O 62a_200011292268_200135323944 [0,1,0,0,0,0|2,0,1]=4 7037 B12R0.234 CC(=S)OCCCSCCCC=O 62a_200135323944_200011292268 [0,1,0,0,0,0|2,0,1]=4 7038 B12R0.234 CC(Br)CCOCCCCCCF 34a_100009893172_100015922095 [0,1,0,0,0,0|2,0,1]=4 7039 B12R0.234 CC(Br)CCOCCCCCCO 34a_100009893172_100000766143 [0,1,0,0,0,0|1,0,2]=4 7040 B12R0.234 CC(Br)COCCCCCCCO 34a_100012180447_100000760002 [0,1,0,0,0,0|1,0,2]=4 7041 B12R0.234 CC(C)CCCCCCCOCF 34a_200000210741_100015361967 [0,1,0,0,0,0|2,0,1]=4 7042 B12R0.234 CC(C)CCCCCCCOCF 7a_200000210741_100015361967 [0,1,0,0,0,0|2,0,1]=4 7043 B12R0.234 CC(C)CCCCCCNCC#N 2230a_100000211014_100011215382 [0,1,0,0,0,0|2,0,1]=4 7044 B12R0.234 CC(C)CCCCCCNCC=O 2230a_100000211014_200015260668 [0,1,0,0,0,0|1,0,0]=2 7045 B12R0.234 CC(C)CCCCCCNCC=O 34a_100000211014_200009817547 [0,1,0,0,0,0|1,0,0]=2 7046 B12R0.234 CC(C)CCCCCCNCCF 2230a_100000211014_100011217306 [0,1,0,0,0,0|2,0,1]=4 7047 B12R0.234 CC(C)CCCCCCNCCF 34a_100000211014_100011217306 [0,1,0,0,0,0|2,0,1]=4 7048 B12R0.234 CC(C)CCCCCCNCCO 2230a_100000211014_100000211926 [0,1,0,0,0,0|1,0,2]=4 7049 B12R0.234 CC(C)CCCCCCNCCO 34a_100000211014_100000211926 [0,1,0,0,0,0|1,0,2]=4 7050 B12R0.234 CC(C)CCCCCNCCC#N 2230a_100011290863_100011215226 [0,1,0,0,0,0|2,0,1]=4 7051 B12R0.234 CC(C)CCCCCNCCCF 2230a_100011290863_100011934791 [0,1,0,0,0,0|2,0,1]=4 7052 B12R0.234 CC(C)CCCCCNCCCF 2230a_100015189416_100000210682 [0,1,0,0,0,0|2,0,1]=4 7053 B12R0.234 CC(C)CCCCCNCCCF 34a_100011290863_100011934791 [0,1,0,0,0,0|2,0,1]=4 7054 B12R0.234 CC(C)CCCCCNCCCF 34a_100015189416_100000210682 [0,1,0,0,0,0|2,0,1]=4 7055 B12R0.234 CC(C)CCCCCNCCCO 2230a_100011290863_100000230001 [0,1,0,0,0,0|1,0,2]=4 7056 B12R0.234 CC(C)CCCCCNCCCO 34a_100011290863_100000230001 [0,1,0,0,0,0|1,0,2]=4 7057 B12R0.234 CC(C)CCCCCOCCC#N 7a_100011995859_100000184422 [0,1,0,0,0,0|2,0,1]=4 7058 B12R0.234 CC(C)CCCCCOCCCBr 34a_100011217188_100000210682 [0,1,0,0,0,0|2,0,1]=4 7059 B12R0.234 CC(C)CCCCCOCCCCl 34a_100000230001_100000210682 [0,1,0,0,0,0|2,0,1]=4 7060 B12R0.234 CC(C)CCCCCOCCCF 34a_100000759539_100000210682 [0,1,0,0,0,0|2,0,1]=4 7061 B12R0.234 CC(C)CCCCCOCCCF 34a_100011995859_100011934791 [0,1,0,0,0,0|2,0,1]=4 7062 B12R0.234 CC(C)CCCCCOCCCF 7a_100011995859_100011934791 [0,1,0,0,0,0|2,0,1]=4 7063 B12R0.234 CC(C)CCCCCOCCCN 34a_100000182051_100000210682 [0,1,0,0,0,0|2,0,1]=4 7064 B12R0.234 CC(C)CCCCCOCCCO 34a_100011995859_100000230001 [0,1,0,0,0,0|1,0,2]=4 7065 B12R0.234 CC(C)CCCCCOCCCO 7a_100011995859_100011215043 [0,1,0,0,0,0|1,0,2]=4 7066 B12R0.234 CC(C)CCCCCOCCON 34a_100000700252_100000210682 [0,1,0,0,0,0|3,0,0]=4 7067 B12R0.234 CC(C)CCCCCSCCC#N 62a_100000210682_100011215226 [0,1,0,0,0,0|2,0,1]=4 7068 B12R0.234 CC(C)CCCCCSCCC#N 62a_100011215226_100000210682 [0,1,0,0,0,0|2,0,1]=4 7069 B12R0.234 CC(C)CCCCCSCCCF 62a_100000210682_100011934791 [0,1,0,0,0,0|2,0,1]=4 7070 B12R0.234 CC(C)CCCCCSCCCF 62a_100011934791_100000210682 [0,1,0,0,0,0|2,0,1]=4 7071 B12R0.234 CC(C)CCCCCSCCCO 62a_100000210682_100011215043 [0,1,0,0,0,0|1,0,2]=4 7072 B12R0.234 CC(C)CCCCCSCCCO 62a_100011215043_100000210682 [0,1,0,0,0,0|1,0,2]=4 7073 B12R0.234 CC(C)CCCCNCCCCO 2230a_100000750430_100011216152 [0,1,0,0,0,0|1,0,2]=4 7074 B12R0.234 CC(C)CCCCNCCCCO 34a_100000750430_100011216152 [0,1,0,0,0,0|1,0,2]=4 7075 B12R0.234 CC(C)CCCCOCCCC#N 7a_100011214890_100000687738 [0,1,0,0,0,0|2,0,1]=4 7076 B12R0.234 CC(C)CCCCOCCCC=O 7a_100011214890_200011292268 [0,1,0,0,0,0|1,0,0]=2 7077 B12R0.234 CC(C)CCCCOCCCCBr 34a_100011216708_100011216152 [0,1,0,0,0,0|2,0,1]=4 7078 B12R0.234 CC(C)CCCCOCCCCCl 34a_100000210776_100011216152 [0,1,0,0,0,0|2,0,1]=4 7079 B12R0.234 CC(C)CCCCOCCCCCl 7a_100000210776_100011216152 [0,1,0,0,0,0|2,0,1]=4 7080 B12R0.234 CC(C)CCCCOCCCCF 34a_100011214890_100000729493 [0,1,0,0,0,0|2,0,1]=4 7081 B12R0.234 CC(C)CCCCOCCCCF 34a_100011995726_100011216152 [0,1,0,0,0,0|2,0,1]=4 7082 B12R0.234 CC(C)CCCCOCCCCF 7a_100011214890_100000729493 [0,1,0,0,0,0|2,0,1]=4 7083 B12R0.234 CC(C)CCCCOCCCCF 7a_100011995726_100011216152 [0,1,0,0,0,0|2,0,1]=4 7084 B12R0.234 CC(C)CCCCOCCCCI 34a_200012148704_100011216152 [0,1,0,0,0,0|2,0,1]=4 7085 B12R0.234 CC(C)CCCCOCCCCN 34a_100000750430_100011216152 [0,1,0,0,0,0|2,0,1]=4 7086 B12R0.234 CC(C)CCCCOCCCCO 34a_100011214890_100011216708 [0,1,0,0,0,0|1,0,2]=4 7087 B12R0.234 CC(C)CCCCOCCCCO 7a_100011214890_100000210776 [0,1,0,0,0,0|1,0,2]=4 7088 B12R0.234 CC(C)CCCCSCCCC#N 62a_100000687738_100011216152 [0,1,0,0,0,0|2,0,1]=4 7089 B12R0.234 CC(C)CCCCSCCCC#N 62a_100011216152_100000687738 [0,1,0,0,0,0|2,0,1]=4 7090 B12R0.234 CC(C)CCCCSCCCC=O 62a_100011216152_200011292268 [0,1,0,0,0,0|1,0,0]=2 7091 B12R0.234 CC(C)CCCCSCCCC=O 62a_200011292268_100011216152 [0,1,0,0,0,0|1,0,0]=2 7092 B12R0.234 CC(C)CCCCSCCCCF 62a_100000729493_100011216152 [0,1,0,0,0,0|2,0,1]=4 7093 B12R0.234 CC(C)CCCCSCCCCF 62a_100011216152_100000729493 [0,1,0,0,0,0|2,0,1]=4 7094 B12R0.234 CC(C)CCCCSCCCCO 62a_100000210776_100011216152 [0,1,0,0,0,0|1,0,2]=4 7095 B12R0.234 CC(C)CCCCSCCCCO 62a_100011216152_100000210776 [0,1,0,0,0,0|1,0,2]=4 7096 B12R0.234 CC(C)CCCNCCCCC#N 2230a_200000737386_100000211819 [0,1,0,0,0,0|2,0,1]=4 7097 B12R0.234 CC(C)CCCNCCCCC=O 2230a_200000737386_100000139335 [0,1,0,0,0,0|1,0,0]=2 7098 B12R0.234 CC(C)CCCNCCCCCF 2230a_200000737386_100000729378 [0,1,0,0,0,0|2,0,1]=4 7099 B12R0.234 CC(C)CCCNCCCCCF 34a_200000737386_100000729378 [0,1,0,0,0,0|2,0,1]=4 7100 B12R0.234 CC(C)CCCNCCCCCO 2230a_100000762737_100011214892 [0,1,0,0,0,0|1,0,2]=4 7101 B12R0.234 CC(C)CCCNCCCCCO 2230a_200000737386_100000746330 [0,1,0,0,0,0|1,0,2]=4 7102 B12R0.234 CC(C)CCCNCCCCCO 34a_100000762737_100011214892 [0,1,0,0,0,0|1,0,2]=4 7103 B12R0.234 CC(C)CCCNCCCCCO 34a_200000737386_100000746330 [0,1,0,0,0,0|1,0,2]=4 7104 B12R0.234 CC(C)CCCOCCCCC#N 7a_100000210774_100000211819 [0,1,0,0,0,0|2,0,1]=4 7105 B12R0.234 CC(C)CCCOCCCCC=O 7a_100000210774_100000139335 [0,1,0,0,0,0|1,0,0]=2 7106 B12R0.234 CC(C)CCCOCCCCCBr 34a_100000746331_100011214892 [0,1,0,0,0,0|2,0,1]=4 7107 B12R0.234 CC(C)CCCOCCCCCBr 7a_100000746331_100011214892 [0,1,0,0,0,0|2,0,1]=4 7108 B12R0.234 CC(C)CCCOCCCCCCl 34a_100000746330_100011214892 [0,1,0,0,0,0|2,0,1]=4 7109 B12R0.234 CC(C)CCCOCCCCCCl 7a_100000746330_100011214892 [0,1,0,0,0,0|2,0,1]=4 7110 B12R0.234 CC(C)CCCOCCCCCF 34a_100000210774_100000729378 [0,1,0,0,0,0|2,0,1]=4 7111 B12R0.234 CC(C)CCCOCCCCCF 7a_100000210774_100000729378 [0,1,0,0,0,0|2,0,1]=4 7112 B12R0.234 CC(C)CCCOCCCCCI 34a_200012148887_100011214892 [0,1,0,0,0,0|2,0,1]=4 7113 B12R0.234 CC(C)CCCOCCCCCI 7a_200012148887_100011214892 [0,1,0,0,0,0|2,0,1]=4 7114 B12R0.234 CC(C)CCCOCCCCCN 34a_100000762737_100011214892 [0,1,0,0,0,0|2,0,1]=4 7115 B12R0.234 CC(C)CCCOCCCCCO 34a_100000210774_100000746330 [0,1,0,0,0,0|1,0,2]=4 7116 B12R0.234 CC(C)CCCOCCCCCO 7a_100000210774_100000746330 [0,1,0,0,0,0|1,0,2]=4 7117 B12R0.234 CC(C)CCCSCCCCC#N 62a_100011214892_100000211819 [0,1,0,0,0,0|2,0,1]=4 7118 B12R0.234 CC(C)CCCSCCCCC#N 62a_100011219923_100011214892 [0,1,0,0,0,0|2,0,1]=4 7119 B12R0.234 CC(C)CCCSCCCCC=O 62a_100000139335_100011214892 [0,1,0,0,0,0|1,0,0]=2 7120 B12R0.234 CC(C)CCCSCCCCC=O 62a_100011214892_100000139335 [0,1,0,0,0,0|1,0,0]=2 7121 B12R0.234 CC(C)CCCSCCCCCF 62a_100000729378_100011214892 [0,1,0,0,0,0|2,0,1]=4 7122 B12R0.234 CC(C)CCCSCCCCCF 62a_100011214892_100000729378 [0,1,0,0,0,0|2,0,1]=4 7123 B12R0.234 CC(C)CCCSCCCCCO 62a_100000746330_100011214892 [0,1,0,0,0,0|1,0,2]=4 7124 B12R0.234 CC(C)CCCSCCCCCO 62a_100011214892_100000746330 [0,1,0,0,0,0|1,0,2]=4 7125 B12R0.234 CC(C)CCNCCCCCCO 2230a_100000686447_100000210312 [0,1,0,0,0,0|1,0,2]=4 7126 B12R0.234 CC(C)CCNCCCCCCO 269862a_100000686447_100000185833 [0,1,0,0,0,0|1,0,2]=4 7127 B12R0.234 CC(C)CCNCCCCCCO 34a_100000686447_100000210312 [0,1,0,0,0,0|1,0,2]=4 7128 B12R0.234 CC(C)CCOCCCCCC#N 7a_100000210254_100009813376 [0,1,0,0,0,0|2,0,1]=4 7129 B12R0.234 CC(C)CCOCCCCCC=O 7a_100000210254_100000139337 [0,1,0,0,0,0|1,0,0]=2 7130 B12R0.234 CC(C)CCOCCCCCCBr 34a_100011215345_100000210312 [0,1,0,0,0,0|2,0,1]=4 7131 B12R0.234 CC(C)CCOCCCCCCBr 7a_100011215345_100000210626 [0,1,0,0,0,0|2,0,1]=4 7132 B12R0.234 CC(C)CCOCCCCCCCl 34a_100000766143_100000210312 [0,1,0,0,0,0|2,0,1]=4 7133 B12R0.234 CC(C)CCOCCCCCCCl 7a_100000766143_100000210626 [0,1,0,0,0,0|2,0,1]=4 7134 B12R0.234 CC(C)CCOCCCCCCF 34a_100000210254_100015922095 [0,1,0,0,0,0|2,0,1]=4 7135 B12R0.234 CC(C)CCOCCCCCCF 34a_100000732779_100000210312 [0,1,0,0,0,0|2,0,1]=4 7136 B12R0.234 CC(C)CCOCCCCCCF 7a_100000210254_100015922095 [0,1,0,0,0,0|2,0,1]=4 7137 B12R0.234 CC(C)CCOCCCCCCF 7a_100000732779_100000210626 [0,1,0,0,0,0|2,0,1]=4 7138 B12R0.234 CC(C)CCOCCCCCCN 34a_100000686447_100000210312 [0,1,0,0,0,0|2,0,1]=4 7139 B12R0.234 CC(C)CCOCCCCCCO 34a_100000210254_100000766143 [0,1,0,0,0,0|1,0,2]=4 7140 B12R0.234 CC(C)CCOCCCCCCO 7a_100000210254_100000766143 [0,1,0,0,0,0|1,0,2]=4 7141 B12R0.234 CC(C)CCSCCCCCC#N 62a_100000210312_100009813376 [0,1,0,0,0,0|2,0,1]=4 7142 B12R0.234 CC(C)CCSCCCCCC#N 62a_100009813376_100000210312 [0,1,0,0,0,0|2,0,1]=4 7143 B12R0.234 CC(C)CCSCCCCCC=O 62a_100000139337_100000210312 [0,1,0,0,0,0|1,0,0]=2 7144 B12R0.234 CC(C)CCSCCCCCC=O 62a_100000210312_100000139337 [0,1,0,0,0,0|1,0,0]=2 7145 B12R0.234 CC(C)CCSCCCCCCF 62a_100000210312_100015922095 [0,1,0,0,0,0|2,0,1]=4 7146 B12R0.234 CC(C)CCSCCCCCCF 62a_100015922095_100000210312 [0,1,0,0,0,0|2,0,1]=4 7147 B12R0.234 CC(C)CCSCCCCCCO 62a_100000210312_100000766143 [0,1,0,0,0,0|1,0,2]=4 7148 B12R0.234 CC(C)CCSCCCCCCO 62a_100000766143_100000210312 [0,1,0,0,0,0|1,0,2]=4 7149 B12R0.234 CC(C)CNCCCCCCC#N 2230a_100000210953_100009813337 [0,1,0,0,0,0|2,0,1]=4 7150 B12R0.234 CC(C)CNCCCCCCCO 2230a_100000210953_100000760002 [0,1,0,0,0,0|1,0,2]=4 7151 B12R0.234 CC(C)CNCCCCCCCO 2230a_100011996573_100000210760 [0,1,0,0,0,0|1,0,2]=4 7152 B12R0.234 CC(C)CNCCCCCCCO 270004a_100011996573_100000210432 [0,1,0,0,0,0|1,0,2]=4 7153 B12R0.234 CC(C)CNCCCCCCCO 34a_100000210953_100000760002 [0,1,0,0,0,0|1,0,2]=4 7154 B12R0.234 CC(C)CNCCCCCCCO 34a_100011996573_100000210624 [0,1,0,0,0,0|1,0,2]=4 7155 B12R0.234 CC(C)COCCCCCCCBr 34a_100000760002_100000210624 [0,1,0,0,0,0|2,0,1]=4 7156 B12R0.234 CC(C)COCCCCCCCBr 7a_100000760002_100000210760 [0,1,0,0,0,0|2,0,1]=4 7157 B12R0.234 CC(C)COCCCCCCCN 34a_100011996573_100000210624 [0,1,0,0,0,0|2,0,1]=4 7158 B12R0.234 CC(C)COCCCCCCCO 34a_100000210257_100000760002 [0,1,0,0,0,0|1,0,2]=4 7159 B12R0.234 CC(C)COCCOCCCC=O 7a_100000703358_200011292268 [0,1,0,0,0,0|2,0,0]=3 7160 B12R0.234 CC(C)CSCCCCCCC#N 62a_100000210624_100009813337 [0,1,0,0,0,0|2,0,1]=4 7161 B12R0.234 CC(C)CSCCCCCCC#N 62a_100009813337_100000210760 [0,1,0,0,0,0|2,0,1]=4 7162 B12R0.234 CC(C)CSCCCCCCCO 62a_100000210624_100000760002 [0,1,0,0,0,0|1,0,2]=4 7163 B12R0.234 CC(C)CSCCCCCCCO 62a_100000760002_100000210760 [0,1,0,0,0,0|1,0,2]=4 7164 B12R0.234 CC(C)CSCCOCCCC=O 7a_200000230437_200011292268 [0,1,0,0,0,0|2,0,0]=3 7165 B12R0.234 CC(C)NCCCCCCCCO 2230a_100138425928_100000033203 [0,1,0,0,0,0|1,0,2]=4 7166 B12R0.234 CC(C)NCCCCCCCCO 2230a_102515433106_100000210206 [0,1,0,0,0,0|1,0,2]=4 7167 B12R0.234 CC(C)NCCCCCCCCO 34a_100138425928_100000033203 [0,1,0,0,0,0|1,0,2]=4 7168 B12R0.234 CC(C)NCCCCCCCCO 34a_102515433106_100000210206 [0,1,0,0,0,0|1,0,2]=4 7169 B12R0.234 CC(C)NCCCCCOCC=O 34a_100011629493_200009817547 [0,1,0,0,0,0|2,0,0]=3 7170 B12R0.234 CC(C)OCCCCCCCCBr 34a_100009813846_100000210206 [0,1,0,0,0,0|2,0,1]=4 7171 B12R0.234 CC(C)OCCCCCCCCBr 7a_100009813846_100000210206 [0,1,0,0,0,0|2,0,1]=4 7172 B12R0.234 CC(C)OCCCCCCCCCl 34a_100000033203_100000210206 [0,1,0,0,0,0|2,0,1]=4 7173 B12R0.234 CC(C)OCCCCCCCCCl 7a_100000033203_100000210206 [0,1,0,0,0,0|2,0,1]=4 7174 B12R0.234 CC(C)OCCCCCCCCN 34a_102515433106_100000210206 [0,1,0,0,0,0|2,0,1]=4 7175 B12R0.234 CC(C)OCCCCCCCCO 34a_100000212225_100000033203 [0,1,0,0,0,0|1,0,2]=4 7176 B12R0.234 CC(C)OCCCNCCCC=O 2230a_100000737246_200011292268 [0,1,0,0,0,0|2,0,0]=3 7177 B12R0.234 CC(C)OCCNCCCCC=O 2230a_100000701111_100000139335 [0,1,0,0,0,0|2,0,0]=3 7178 B12R0.234 CC(C)OCCOCCCCC=O 7a_100000211219_100000139335 [0,1,0,0,0,0|2,0,0]=3 7179 B12R0.234 CC(C)OCCSCCCCC=O 62a_100000139335_100000211751 [0,1,0,0,0,0|2,0,0]=3 7180 B12R0.234 CC(C)OCCSCCCCC=O 62a_100000211751_100000139335 [0,1,0,0,0,0|2,0,0]=3 7181 B12R0.234 CC(C)OCSCCCCCC=O 62a_100000139337_100000709892 [0,1,0,0,0,0|2,0,0]=3 7182 B12R0.234 CC(C)OCSCCCCCC=O 62a_100000709892_100000139337 [0,1,0,0,0,0|2,0,0]=3 7183 B12R0.234 CC(C)SCCCCCCCCO 62a_100000033203_100000210206 [0,1,0,0,0,0|1,0,2]=4 7184 B12R0.234 CC(C)SCCCCCCCCO 62a_100000210206_100000033203 [0,1,0,0,0,0|1,0,2]=4 7185 B12R0.234 CC(C)SCCNCCCCC=O 2230a_100000731138_100000139335 [0,1,0,0,0,0|2,0,0]=3 7186 B12R0.234 CC(C)SCCOCCCCC=O 7a_200011212901_100000139335 [0,1,0,0,0,0|2,0,0]=3 7187 B12R0.234 CC(C)SCCSCCCCC=O 62a_100000139335_100000730970 [0,1,0,0,0,0|2,0,0]=3 7188 B12R0.234 CC(C)SCCSCCCCC=O 62a_100000730970_100000139335 [0,1,0,0,0,0|2,0,0]=3 7189 B12R0.234 CC(F)COCCCCCCCO 34a_100015925927_100000760002 [0,1,0,0,0,0|1,0,2]=4 7190 B12R0.234 CC(O)CCCNCCCCCO 2230a_100000762737_200000718107 [0,1,0,0,0,0|1,0,2]=4 7191 B12R0.234 CC(O)CCCNCCCCCO 34a_100000762737_200000718107 [0,1,0,0,0,0|1,0,2]=4 7192 B12R0.234 CC(O)CCCOCCCCCBr 34a_100000746331_200000718107 [0,1,0,0,0,0|2,0,1]=4 7193 B12R0.234 CC(O)CCCOCCCCCBr 7a_100000746331_200000718107 [0,1,0,0,0,0|2,0,1]=4 7194 B12R0.234 CC(O)CCCOCCCCCCl 34a_100000746330_200000718107 [0,1,0,0,0,0|2,0,1]=4 7195 B12R0.234 CC(O)CCCOCCCCCCl 7a_100000746330_200000718107 [0,1,0,0,0,0|2,0,1]=4 7196 B12R0.234 CC(O)CCCOCCCCCI 34a_200012148887_200000718107 [0,1,0,0,0,0|2,0,1]=4 7197 B12R0.234 CC(O)CCCOCCCCCI 7a_200012148887_200000718107 [0,1,0,0,0,0|2,0,1]=4 7198 B12R0.234 CC(O)CCCOCCCCCN 34a_100000762737_200000718107 [0,1,0,0,0,0|2,0,1]=4 7199 B12R0.234 CC(O)CCCSCCCCC#N 62a_100011219923_200000718107 [0,1,0,0,0,0|2,0,1]=4 7200 B12R0.234 CC(O)CCCSCCCCC#N 62a_200000718107_100000211819 [0,1,0,0,0,0|2,0,1]=4 7201 B12R0.234 CC(O)CCCSCCCCC=O 62a_100000139335_200000718107 [0,1,0,0,0,0|1,0,0]=2 7202 B12R0.234 CC(O)CCCSCCCCC=O 62a_200000718107_100000139335 [0,1,0,0,0,0|1,0,0]=2 7203 B12R0.234 CC(O)CCCSCCCCCF 62a_100000729378_200000718107 [0,1,0,0,0,0|2,0,1]=4 7204 B12R0.234 CC(O)CCCSCCCCCF 62a_200000718107_100000729378 [0,1,0,0,0,0|2,0,1]=4 7205 B12R0.234 CC(O)CCCSCCCCCO 62a_100000746330_200000718107 [0,1,0,0,0,0|1,0,2]=4 7206 B12R0.234 CC(O)CCCSCCCCCO 62a_200000718107_100000746330 [0,1,0,0,0,0|1,0,2]=4 7207 B12R0.234 CC(O)CCNCCCCCC#N 2230a_200000755665_100009813376 [0,1,0,0,0,0|2,0,1]=4 7208 B12R0.234 CC(O)CCNCCCCCC=O 2230a_200000755665_100000139337 [0,1,0,0,0,0|1,0,0]=2 7209 B12R0.234 CC(O)CCNCCCCCCF 2230a_200000755665_100015922095 [0,1,0,0,0,0|2,0,1]=4 7210 B12R0.234 CC(O)CCNCCCCCCO 2230a_100000686447_100012276601 [0,1,0,0,0,0|1,0,2]=4 7211 B12R0.234 CC(O)CCNCCCCCCO 2230a_200000755665_100000766143 [0,1,0,0,0,0|1,0,2]=4 7212 B12R0.234 CC(O)CCNCCCCCCO 34a_100000686447_100012276601 [0,1,0,0,0,0|1,0,2]=4 7213 B12R0.234 CC(O)CCOCCCCCCBr 34a_100011215345_100012276601 [0,1,0,0,0,0|2,0,1]=4 7214 B12R0.234 CC(O)CCOCCCCCCBr 7a_100011215345_100012276601 [0,1,0,0,0,0|2,0,1]=4 7215 B12R0.234 CC(O)CCOCCCCCCCl 34a_100000766143_100012276601 [0,1,0,0,0,0|2,0,1]=4 7216 B12R0.234 CC(O)CCOCCCCCCCl 7a_100000766143_100012276601 [0,1,0,0,0,0|2,0,1]=4 7217 B12R0.234 CC(O)CCOCCCCCCF 34a_100000732779_100012276601 [0,1,0,0,0,0|2,0,1]=4 7218 B12R0.234 CC(O)CCOCCCCCCF 7a_100000732779_100012276601 [0,1,0,0,0,0|2,0,1]=4 7219 B12R0.234 CC(O)CCOCCCCCCN 34a_100000686447_100012276601 [0,1,0,0,0,0|2,0,1]=4 7220 B12R0.234 CC(O)CCSCCCCCC#N 62a_100009813376_100012276601 [0,1,0,0,0,0|2,0,1]=4 7221 B12R0.234 CC(O)CCSCCCCCC#N 62a_100012276601_100009813376 [0,1,0,0,0,0|2,0,1]=4 7222 B12R0.234 CC(O)CCSCCCCCC=O 62a_100000139337_100012276601 [0,1,0,0,0,0|1,0,0]=2 7223 B12R0.234 CC(O)CCSCCCCCC=O 62a_100012276601_100000139337 [0,1,0,0,0,0|1,0,0]=2 7224 B12R0.234 CC(O)CCSCCCCCCF 62a_100012276601_100015922095 [0,1,0,0,0,0|2,0,1]=4 7225 B12R0.234 CC(O)CCSCCCCCCF 62a_100015922095_100012276601 [0,1,0,0,0,0|2,0,1]=4 7226 B12R0.234 CC(O)CCSCCCCCCO 62a_100000766143_100012276601 [0,1,0,0,0,0|1,0,2]=4 7227 B12R0.234 CC(O)CCSCCCCCCO 62a_100012276601_100000766143 [0,1,0,0,0,0|1,0,2]=4 7228 B12R0.234 CC(O)CNCCCCCCC#N 2230a_100000210904_100009813337 [0,1,0,0,0,0|2,0,1]=4 7229 B12R0.234 CC(O)CNCCCCCCCO 2230a_100000210904_100000760002 [0,1,0,0,0,0|1,0,2]=4 7230 B12R0.234 CC(O)CNCCCCCCCO 2230a_100011996573_100011218427 [0,1,0,0,0,0|1,0,2]=4 7231 B12R0.234 CC(O)CNCCCCCCCO 34a_100000210904_100000760002 [0,1,0,0,0,0|1,0,2]=4 7232 B12R0.234 CC(O)CNCCCCCCCO 34a_100011996573_100011218427 [0,1,0,0,0,0|1,0,2]=4 7233 B12R0.234 CC(O)COCCCCCCCBr 34a_100000760002_100011218427 [0,1,0,0,0,0|2,0,1]=4 7234 B12R0.234 CC(O)COCCCCCCCBr 7a_100000760002_100011218427 [0,1,0,0,0,0|2,0,1]=4 7235 B12R0.234 CC(O)COCCCCCCCN 34a_100011996573_100011218427 [0,1,0,0,0,0|2,0,1]=4 7236 B12R0.234 CC(O)CSCCCCCCC#N 62a_100009813337_100011218427 [0,1,0,0,0,0|2,0,1]=4 7237 B12R0.234 CC(O)CSCCCCCCC#N 62a_100011218427_100009813337 [0,1,0,0,0,0|2,0,1]=4 7238 B12R0.234 CC(O)CSCCCCCCCO 62a_100000760002_100011218427 [0,1,0,0,0,0|1,0,2]=4 7239 B12R0.234 CC(O)CSCCCCCCCO 62a_100011218427_100000760002 [0,1,0,0,0,0|1,0,2]=4 7240 B12R0.234 CC/C=C/CCCOCCC(=O)C 7a_100016287902_100000053229 [0,1,0,0,0,0|1,0,2]=4 7241 B12R0.234 CC/C=C/CCCOCCC(=O)N 34a_100016287902_100000731001 [0,1,0,0,0,0|1,0,2]=4 7242 B12R0.234 CC/C=C/CCCOCCC(=O)N 7a_100016287902_100000744528 [0,1,0,0,0,0|1,0,2]=4 7243 B12R0.234 CC/C=C\CCCCOCC(=O)N 34a_100016287862_100000187820 [0,1,0,0,0,0|1,0,2]=4 7244 B12R0.234 CC/C=C\CCCCOCC(=O)N 7a_100016287862_100000187820 [0,1,0,0,0,0|1,0,2]=4 7245 B12R0.234 CC/C=C\CCCCOCC(=O)[O-] 34a_100016287862_100020667443 [0,1,0,0,0,0|1,0,2]=4 7246 B12R0.234 CC/C=C\CCNCCCC(=O)N 34a_100000739312_100015370543 [0,1,0,0,0,0|1,0,2]=4 7247 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100000759063_100015370543 [0,1,0,0,0,0|1,0,2]=4 7248 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100016288707_100000685027 [0,1,0,0,0,0|1,0,2]=4 7249 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100000759063_100015370543 [0,1,0,0,0,0|1,0,2]=4 7250 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100016288707_100011215641 [0,1,0,0,0,0|1,0,2]=4 7251 B12R0.234 CC/C=C\CCOCCCC(=O)N 34a_100016288707_100102525003 [0,1,0,0,0,0|1,0,2]=4 7252 B12R0.234 CC/C=C\CCOCCCC(=O)N 7a_100016288707_100102525003 [0,1,0,0,0,0|1,0,2]=4 7253 B12R0.234 CC/C=C\CCSCCCC(=O)C 62a_100011215641_100015370543 [0,1,0,0,0,0|1,0,2]=4 7254 B12R0.234 CC/C=C\CCSCCCC(=O)C 62a_100015370543_100011215641 [0,1,0,0,0,0|1,0,2]=4 7255 B12R0.234 CC/C=C\CCSCCCC(=O)N 62a_100015370543_100102525003 [0,1,0,0,0,0|1,0,2]=4 7256 B12R0.234 CC/C=C\CCSCCCC(=O)N 62a_100102525003_100015370543 [0,1,0,0,0,0|1,0,2]=4 7257 B12R0.234 CC/C=C\CNCCCCC(=O)N 34a_100000696515_100103147603 [0,1,0,0,0,0|1,0,2]=4 7258 B12R0.234 CC/C=C\COCCCCC(=O)C 34a_100016268518_100009817362 [0,1,0,0,0,0|1,0,2]=4 7259 B12R0.234 CC/C=C\COCCCCC(=O)N 34a_100012022536_100103147603 [0,1,0,0,0,0|1,0,2]=4 7260 B12R0.234 CC/C=C\COCCCCC(=O)N 7a_100012022536_100103147603 [0,1,0,0,0,0|1,0,2]=4 7261 B12R0.234 CC/C=C\CSCCCCC(=O)C 62a_100000735457_100103147603 [0,1,0,0,0,0|1,0,2]=4 7262 B12R0.234 CC/C=C\CSCCCCC(=O)C 62a_100103147603_100000735457 [0,1,0,0,0,0|1,0,2]=4 7263 B12R0.234 CC=CCCCOCCCC(=O)C 34a_100020645299_100000685027 [0,1,0,0,0,0|1,0,2]=4 7264 B12R0.234 CC=CCCCOCCCC(=O)N 34a_100020645299_100102525003 [0,1,0,0,0,0|1,0,2]=4 7265 B12R0.234 CC=CCCCOCCCC(C)C 34a_100020645299_100011214892 [0,1,0,0,0,0|2,0,1]=4 7266 B12R0.234 CC=CCCCOCCCC(C)O 34a_100020645299_200000718107 [0,1,0,0,0,0|2,0,1]=4 7267 B12R0.234 CC=CCNCCCCCC(C)C 2230a_100011290863_100000070051 [0,1,0,0,0,0|2,0,1]=4 7268 B12R0.234 CC=CCNCCCCCC(C)C 34a_100011290863_100000070051 [0,1,0,0,0,0|2,0,1]=4 7269 B12R0.234 CC=CCOCCCCCC(=O)N 34a_100000123541_100000070051 [0,1,0,0,0,0|1,0,2]=4 7270 B12R0.234 CC=CCOCCCCCC(=O)N 7a_100000123541_100000070051 [0,1,0,0,0,0|1,0,2]=4 7271 B12R0.234 CC=CCOCCCCCC(=O)[O-] 7a_100102619762_100000070051 [0,1,0,0,0,0|1,0,2]=4 7272 B12R0.234 CC=CCOCCCCCC(C)C 34a_100011995859_100000070051 [0,1,0,0,0,0|2,0,1]=4 7273 B12R0.234 CC=CCOCCCCCC(C)C 7a_100011995859_100000070051 [0,1,0,0,0,0|2,0,1]=4 7274 B12R0.234 CC=CCSCCCCCC(=O)N 62a_100000070051_100009817443 [0,1,0,0,0,0|1,0,2]=4 7275 B12R0.234 CC=CCSCCCCCC(=O)N 62a_100009817443_100000070051 [0,1,0,0,0,0|1,0,2]=4 7276 B12R0.234 CC=CCSCCCCCC(C)C 62a_100000070051_100000210682 [0,1,0,0,0,0|2,0,1]=4 7277 B12R0.234 CC=CCSCCCCCC(C)C 62a_100000210682_100000070051 [0,1,0,0,0,0|2,0,1]=4 7278 B12R0.234 CCC#CCCCCCCC(=O)C 1458a_100000070787_200000036426 [0,1,0,0,0,0|0,0,2]=3 7279 B12R0.234 CCC#CCCOCCCC(=O)C 34a_100000036655_100000685027 [0,1,0,0,0,0|1,0,2]=4 7280 B12R0.234 CCC#CCCOCCCC(=O)C 7a_100000036655_100011215641 [0,1,0,0,0,0|1,0,2]=4 7281 B12R0.234 CCC#CCCOCCCC(=O)N 34a_100000036655_100102525003 [0,1,0,0,0,0|1,0,2]=4 7282 B12R0.234 CCC#CCCOCCCC(=O)N 7a_100000036655_100102525003 [0,1,0,0,0,0|1,0,2]=4 7283 B12R0.234 CCC#CCNCCCCC(=O)N 34a_100000696515_100009813939 [0,1,0,0,0,0|1,0,2]=4 7284 B12R0.234 CCC#CCOCCCCC(=O)C 34a_100000032950_100009817362 [0,1,0,0,0,0|1,0,2]=4 7285 B12R0.234 CCC#CCOCCCCC(=O)N 34a_100012022536_100009813939 [0,1,0,0,0,0|1,0,2]=4 7286 B12R0.234 CCC#CCOCCCCC(=O)N 7a_100012022536_100009813939 [0,1,0,0,0,0|1,0,2]=4 7287 B12R0.234 CCC#CCSCCCCC(=O)C 62a_100000735457_100009813939 [0,1,0,0,0,0|1,0,2]=4 7288 B12R0.234 CCC#CCSCCCCC(=O)C 62a_100009813939_100000735457 [0,1,0,0,0,0|1,0,2]=4 7289 B12R0.234 CCC/C=C/COCCCC(=O)C 34a_100016278788_100000685027 [0,1,0,0,0,0|1,0,2]=4 7290 B12R0.234 CCC/C=C/COCCCC(=O)C 7a_100016278788_100011215641 [0,1,0,0,0,0|1,0,2]=4 7291 B12R0.234 CCC/C=C/COCCCC(=O)N 34a_100016278788_100102525003 [0,1,0,0,0,0|1,0,2]=4 7292 B12R0.234 CCC/C=C/COCCCC(=O)N 7a_100016278788_100102525003 [0,1,0,0,0,0|1,0,2]=4 7293 B12R0.234 CCCC#CCCOCCC(=O)C 7a_100000042726_100000053229 [0,1,0,0,0,0|1,0,2]=4 7294 B12R0.234 CCCC#CCCOCCC(=O)N 34a_100000042726_100000731001 [0,1,0,0,0,0|1,0,2]=4 7295 B12R0.234 CCCC#CCCOCCC(=O)N 7a_100000042726_100000744528 [0,1,0,0,0,0|1,0,2]=4 7296 B12R0.234 CCCC#CCOCCCC(=O)C 34a_100000034806_100000685027 [0,1,0,0,0,0|1,0,2]=4 7297 B12R0.234 CCCC#CCOCCCC(=O)C 7a_100000034806_100011215641 [0,1,0,0,0,0|1,0,2]=4 7298 B12R0.234 CCCC#CCOCCCC(=O)N 34a_100000034806_100102525003 [0,1,0,0,0,0|1,0,2]=4 7299 B12R0.234 CCCC#CCOCCCC(=O)N 7a_100000034806_100102525003 [0,1,0,0,0,0|1,0,2]=4 7300 B12R0.234 CCCC/C=C/COCCC(=O)C 7a_200016272032_100000053229 [0,1,0,0,0,0|1,0,2]=4 7301 B12R0.234 CCCC/C=C/COCCC(=O)N 34a_200016272032_100000731001 [0,1,0,0,0,0|1,0,2]=4 7302 B12R0.234 CCCC/C=C/COCCC(=O)N 7a_200016272032_100000744528 [0,1,0,0,0,0|1,0,2]=4 7303 B12R0.234 CCCC/C=C\CCOCC(=O)N 34a_200016286491_100000187820 [0,1,0,0,0,0|1,0,2]=4 7304 B12R0.234 CCCC/C=C\CCOCC(=O)N 7a_200016286491_100000187820 [0,1,0,0,0,0|1,0,2]=4 7305 B12R0.234 CCCC/C=C\CCOCC(=O)[O-] 34a_200016286491_100020667443 [0,1,0,0,0,0|1,0,2]=4 7306 B12R0.234 CCCCC#CCCOCC(=O)N 34a_100000037610_100000187820 [0,1,0,0,0,0|1,0,2]=4 7307 B12R0.234 CCCCC#CCCOCC(=O)N 7a_100000037610_100000187820 [0,1,0,0,0,0|1,0,2]=4 7308 B12R0.234 CCCCC#CCCOCC(=O)[O-] 34a_100000037610_100020667443 [0,1,0,0,0,0|1,0,2]=4 7309 B12R0.234 CCCCC#CCOCCC(=O)C 7a_200000034558_100000053229 [0,1,0,0,0,0|1,0,2]=4 7310 B12R0.234 CCCCC#CCOCCC(=O)N 34a_200000034558_100000731001 [0,1,0,0,0,0|1,0,2]=4 7311 B12R0.234 CCCCC#CCOCCC(=O)N 7a_200000034558_100000744528 [0,1,0,0,0,0|1,0,2]=4 7312 B12R0.234 CCCCC/C=C/COCC(=O)N 34a_100016258190_100000187820 [0,1,0,0,0,0|1,0,2]=4 7313 B12R0.234 CCCCC/C=C/COCC(=O)N 7a_100016258190_100000187820 [0,1,0,0,0,0|1,0,2]=4 7314 B12R0.234 CCCCC/C=C/COCC(=O)[O-] 34a_100016258190_100020667443 [0,1,0,0,0,0|1,0,2]=4 7315 B12R0.234 CCCCCC#CCNCC(=O)N 2230a_100000711301_100009816472 [0,1,0,0,0,0|1,0,2]=4 7316 B12R0.234 CCCCCC#CCNCC(=O)O 269956a_100016091260_100009816472 [0,1,0,0,0,0|1,0,2]=4 7317 B12R0.234 CCCCCC#CCOCC(=O)C 34a_100000211253_100009816472 [0,1,0,0,0,0|1,0,2]=4 7318 B12R0.234 CCCCCC#CCOCC(=O)N 34a_200000033628_100000187820 [0,1,0,0,0,0|1,0,2]=4 7319 B12R0.234 CCCCCC#CCOCC(=O)N 7a_200000033628_100000187820 [0,1,0,0,0,0|1,0,2]=4 7320 B12R0.234 CCCCCC#CCOCC(=O)[O-] 34a_200000033628_100020667443 [0,1,0,0,0,0|1,0,2]=4 7321 B12R0.234 CCCCCC#CCSCC(=O)N 62a_100000747473_100009816472 [0,1,0,0,0,0|1,0,2]=4 7322 B12R0.234 CCCCCC#CCSCC(=O)N 62a_100009816472_100000747473 [0,1,0,0,0,0|1,0,2]=4 7323 B12R0.234 CCCCCC#CCSCC(=O)[O-] 62a_100009816472_100020667443 [0,1,0,0,0,0|1,0,2]=4 7324 B12R0.234 CCCCCC#CCSCC(=O)[O-] 62a_100020667443_100009816472 [0,1,0,0,0,0|1,0,2]=4 7325 B12R0.234 CCCCCCCC=NNC(=O)C 4a_100000189765_100000210592 [0,1,0,0,0,0|2,0,1]=4 7326 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [0,1,0,0,0,0|0,0,2]=3 7327 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [0,1,0,0,0,0|0,0,2]=3 7328 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [0,1,0,0,0,0|0,0,0]=1 7329 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [0,1,0,0,0,0|0,0,0]=1 7330 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [0,1,0,0,0,0|0,0,0]=1 7331 B12R0.234 CCCCCCCCCCN(C)C 2230a_100000207566_200000210301 [0,1,0,0,0,0|2,0,0]=3 7332 B12R0.234 CCCCCCCCCCN(C)C 2230a_100102631434_100000210320 [0,1,0,0,0,0|2,0,0]=3 7333 B12R0.234 CCCCCCCCCCN(C)C 269982a_100000207566_200000210301 [0,1,0,0,0,0|2,0,0]=3 7334 B12R0.234 CCCCCCCCCCN(C)C 269982a_100102631434_100000210320 [0,1,0,0,0,0|2,0,0]=3 7335 B12R0.234 CCCCCCCCCCN(C)[13CH3] 2230a_100000207566_200025704644 [0,1,0,0,0,0|2,0,0]=3 7336 B12R0.234 CCCCCCCCCCN(C)[13CH3] 269982a_100000207566_200025704644 [0,1,0,0,0,0|2,0,0]=3 7337 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [0,1,0,0,0,0|1,0,0]=2 7338 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [0,1,0,0,0,0|1,0,0]=2 7339 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [0,1,0,0,0,0|1,0,0]=2 7340 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [0,1,0,0,0,0|1,0,0]=2 7341 B12R0.234 CCCCCCCCCNC(C)C 2230a_100000212291_100000210206 [0,1,0,0,0,0|2,0,1]=4 7342 B12R0.234 CCCCCCCCCNC(C)C 2230a_100138425928_100011214924 [0,1,0,0,0,0|2,0,1]=4 7343 B12R0.234 CCCCCCCCCNC(C)C 34a_100000212291_100000210206 [0,1,0,0,0,0|2,0,1]=4 7344 B12R0.234 CCCCCCCCCNC(C)C 34a_100138425928_100011214924 [0,1,0,0,0,0|2,0,1]=4 7345 B12R0.234 CCCCCCCCCOC(C)C 34a_100000210712_100000210206 [0,1,0,0,0,0|2,0,1]=4 7346 B12R0.234 CCCCCCCCCOC(C)C 34a_100000212225_100011214924 [0,1,0,0,0,0|2,0,1]=4 7347 B12R0.234 CCCCCCCCCOC(C)C 7a_100000210712_100000210206 [0,1,0,0,0,0|2,0,1]=4 7348 B12R0.234 CCCCCCCCCSC(C)C 62a_100000210206_100000210670 [0,1,0,0,0,0|2,0,1]=4 7349 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [0,1,0,0,0,0|1,0,0]=2 7350 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [0,1,0,0,0,0|1,0,0]=2 7351 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [0,1,0,0,0,0|1,0,0]=2 7352 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [0,1,0,0,0,0|1,0,0]=2 7353 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [0,1,0,0,0,0|1,0,0]=2 7354 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000210953_100000210759 [0,1,0,0,0,0|2,0,1]=4 7355 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000229939_100000210760 [0,1,0,0,0,0|2,0,1]=4 7356 B12R0.234 CCCCCCCCNCC(C)C 270004a_100000229939_100000210432 [0,1,0,0,0,0|2,0,1]=4 7357 B12R0.234 CCCCCCCCNCC(C)C 34a_100000210953_100000210759 [0,1,0,0,0,0|2,0,1]=4 7358 B12R0.234 CCCCCCCCNCC(C)C 34a_100000229939_100000210624 [0,1,0,0,0,0|2,0,1]=4 7359 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000210904_100000210759 [0,1,0,0,0,0|1,0,2]=4 7360 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000229939_100011218427 [0,1,0,0,0,0|1,0,2]=4 7361 B12R0.234 CCCCCCCCNCC(C)O 34a_100000210904_100000210759 [0,1,0,0,0,0|1,0,2]=4 7362 B12R0.234 CCCCCCCCNCC(C)O 34a_100000229939_100011218427 [0,1,0,0,0,0|1,0,2]=4 7363 B12R0.234 CCCCCCCCNCC(F)F 2230a_100000229939_100011934356 [0,1,0,0,0,0|2,0,1]=4 7364 B12R0.234 CCCCCCCCNCC(F)F 34a_100000229939_100011934356 [0,1,0,0,0,0|2,0,1]=4 7365 B12R0.234 CCCCCCCCNCC(F)F 34a_100000765723_100000210759 [0,1,0,0,0,0|2,0,1]=4 7366 B12R0.234 CCCCCCCCNC[C@@H](C)O 2230a_100000229939_100009817552 [0,1,0,0,0,0|1,0,2]=4 7367 B12R0.234 CCCCCCCCNC[C@@H](C)O 34a_100000229939_100009817552 [0,1,0,0,0,0|1,0,2]=4 7368 B12R0.234 CCCCCCCCNC[N+](=O)[O-] 34a_100000229939_100000761209 [0,1,0,0,0,0|2,0,0]=3 7369 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [0,1,0,0,0,0|1,0,0]=2 7370 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [0,1,0,0,0,0|1,0,0]=2 7371 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [0,1,0,0,0,0|1,0,0]=2 7372 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [0,1,0,0,0,0|1,0,0]=2 7373 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [0,1,0,0,0,0|1,0,0]=2 7374 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [0,1,0,0,0,0|1,0,0]=2 7375 B12R0.234 CCCCCCCCOCC(C)Br 34a_100012180447_100000210759 [0,1,0,0,0,0|2,0,1]=4 7376 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210232_100000210624 [0,1,0,0,0,0|2,0,1]=4 7377 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210257_100000210759 [0,1,0,0,0,0|2,0,1]=4 7378 B12R0.234 CCCCCCCCOCC(C)C 7a_100000210232_100000210760 [0,1,0,0,0,0|2,0,1]=4 7379 B12R0.234 CCCCCCCCOCC(C)F 34a_100015925927_100000210759 [0,1,0,0,0,0|2,0,1]=4 7380 B12R0.234 CCCCCCCCOCC(C)O 34a_100000210232_100011218427 [0,1,0,0,0,0|1,0,2]=4 7381 B12R0.234 CCCCCCCCOCC(C)O 7a_100000210232_100011218427 [0,1,0,0,0,0|1,0,2]=4 7382 B12R0.234 CCCCCCCCOCC(F)F 34a_100000210232_100011934356 [0,1,0,0,0,0|2,0,1]=4 7383 B12R0.234 CCCCCCCCOCC(F)F 34a_100000743014_100000210759 [0,1,0,0,0,0|2,0,1]=4 7384 B12R0.234 CCCCCCCCOCC(F)F 7a_100000210232_100011934356 [0,1,0,0,0,0|2,0,1]=4 7385 B12R0.234 CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210759 [0,1,0,0,0,0|2,0,1]=4 7386 B12R0.234 CCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210759 [0,1,0,0,0,0|2,0,1]=4 7387 B12R0.234 CCCCCCCCOC[C@@H](C)O 34a_100000210232_100009817552 [0,1,0,0,0,0|1,0,2]=4 7388 B12R0.234 CCCCCCCCOC[C@@H](C)O 7a_100000210232_100009817552 [0,1,0,0,0,0|1,0,2]=4 7389 B12R0.234 CCCCCCCCOC[N+](=O)[O-] 34a_100000210232_100000761209 [0,1,0,0,0,0|2,0,0]=3 7390 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [0,1,0,0,0,0|1,0,0]=2 7391 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [0,1,0,0,0,0|1,0,0]=2 7392 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [0,1,0,0,0,0|1,0,0]=2 7393 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [0,1,0,0,0,0|1,0,0]=2 7394 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210624_100000210317 [0,1,0,0,0,0|2,0,1]=4 7395 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210759_100000210760 [0,1,0,0,0,0|2,0,1]=4 7396 B12R0.234 CCCCCCCCSCC(C)O 62a_100000210759_100011218427 [0,1,0,0,0,0|1,0,2]=4 7397 B12R0.234 CCCCCCCCSCC(C)O 62a_100011218427_100000210317 [0,1,0,0,0,0|1,0,2]=4 7398 B12R0.234 CCCCCCCCSCC(F)F 62a_100000210759_100011934356 [0,1,0,0,0,0|2,0,1]=4 7399 B12R0.234 CCCCCCCCSCC(F)F 62a_100011934356_100000210317 [0,1,0,0,0,0|2,0,1]=4 7400 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100000210759_100009817552 [0,1,0,0,0,0|1,0,2]=4 7401 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210317 [0,1,0,0,0,0|1,0,2]=4 7402 B12R0.234 CCCCCCCCSC[N+](=O)[O-] 62a_100000210759_100000761209 [0,1,0,0,0,0|2,0,0]=3 7403 B12R0.234 CCCCCCCNCC=C(C)C 2230a_100000229938_100000761012 [0,1,0,0,0,0|2,0,1]=4 7404 B12R0.234 CCCCCCCNCC=C(C)C 34a_100000718196_100000210614 [0,1,0,0,0,0|2,0,1]=4 7405 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [0,1,0,0,0,0|1,0,0]=2 7406 B12R0.234 CCCCCCCNCCC(C)C 2230a_100000229938_100000210312 [0,1,0,0,0,0|2,0,1]=4 7407 B12R0.234 CCCCCCCNCCC(C)C 269862a_100000229938_100000185833 [0,1,0,0,0,0|2,0,1]=4 7408 B12R0.234 CCCCCCCNCCC(C)O 2230a_100000229938_100012276601 [0,1,0,0,0,0|1,0,2]=4 7409 B12R0.234 CCCCCCCNCCC(C)O 2230a_200000755665_100000210681 [0,1,0,0,0,0|1,0,2]=4 7410 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [0,1,0,0,0,0|2,0,0]=3 7411 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000210272_100000761012 [0,1,0,0,0,0|2,0,1]=4 7412 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000753907_100000210614 [0,1,0,0,0,0|2,0,1]=4 7413 B12R0.234 CCCCCCCOCC=C(C)C 7a_100000210272_100000761012 [0,1,0,0,0,0|2,0,1]=4 7414 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [0,1,0,0,0,0|1,0,0]=2 7415 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [0,1,0,0,0,0|1,0,0]=2 7416 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [0,1,0,0,0,0|1,0,0]=2 7417 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [0,1,0,0,0,0|1,0,0]=2 7418 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [0,1,0,0,0,0|1,0,0]=2 7419 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [0,1,0,0,0,0|1,0,0]=2 7420 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [0,1,0,0,0,0|1,0,0]=2 7421 B12R0.234 CCCCCCCOCCC(C)Br 34a_100009893172_100000210614 [0,1,0,0,0,0|2,0,1]=4 7422 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210254_100000210614 [0,1,0,0,0,0|2,0,1]=4 7423 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210272_100000210312 [0,1,0,0,0,0|2,0,1]=4 7424 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210254_100000210614 [0,1,0,0,0,0|2,0,1]=4 7425 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210272_100000210626 [0,1,0,0,0,0|2,0,1]=4 7426 B12R0.234 CCCCCCCOCCC(C)O 34a_100000210272_100012276601 [0,1,0,0,0,0|1,0,2]=4 7427 B12R0.234 CCCCCCCOCCC(C)O 7a_100000210272_100012276601 [0,1,0,0,0,0|1,0,2]=4 7428 B12R0.234 CCCCCCCOCCC(F)F 34a_100103093639_100000210614 [0,1,0,0,0,0|2,0,1]=4 7429 B12R0.234 CCCCCCCOCCN(C)C 7a_100000210272_100000755713 [0,1,0,0,0,0|3,0,0]=4 7430 B12R0.234 CCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210614 [0,1,0,0,0,0|2,0,1]=4 7431 B12R0.234 CCCCCCCOCOC(=O)C 34a_100000210272_100009813279 [0,1,0,0,0,0|2,0,0]=3 7432 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000210614_100000761012 [0,1,0,0,0,0|2,0,1]=4 7433 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000761012_100000210316 [0,1,0,0,0,0|2,0,1]=4 7434 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [0,1,0,0,0,0|1,0,0]=2 7435 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [0,1,0,0,0,0|1,0,0]=2 7436 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [0,1,0,0,0,0|1,0,0]=2 7437 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [0,1,0,0,0,0|1,0,0]=2 7438 B12R0.234 CCCCCCCSCCC(C)C 62a_100000210312_100000210316 [0,1,0,0,0,0|2,0,1]=4 7439 B12R0.234 CCCCCCCSCCC(C)C 62a_100000210614_100000210312 [0,1,0,0,0,0|2,0,1]=4 7440 B12R0.234 CCCCCCCSCCC(C)O 62a_100000210614_100012276601 [0,1,0,0,0,0|1,0,2]=4 7441 B12R0.234 CCCCCCCSCCC(C)O 62a_100012276601_100000210316 [0,1,0,0,0,0|1,0,2]=4 7442 B12R0.234 CCCCCCCSCCN(C)C 62a_100000210614_100000755713 [0,1,0,0,0,0|3,0,0]=4 7443 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000076356_100000210316 [0,1,0,0,0,0|2,0,0]=3 7444 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000210614_100000076356 [0,1,0,0,0,0|2,0,0]=3 7445 B12R0.234 CCCCCCNCCC=C(C)C 2230a_100000210581_100011217483 [0,1,0,0,0,0|2,0,1]=4 7446 B12R0.234 CCCCCCNCCC=C(F)F 2230a_100000210581_200009816681 [0,1,0,0,0,0|2,0,1]=4 7447 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [0,1,0,0,0,0|1,0,0]=2 7448 B12R0.234 CCCCCCNCCCC(C)C 2230a_100000210581_100011214892 [0,1,0,0,0,0|2,0,1]=4 7449 B12R0.234 CCCCCCNCCCC(C)C 2230a_200000737386_100000210314 [0,1,0,0,0,0|2,0,1]=4 7450 B12R0.234 CCCCCCNCCCC(C)C 34a_200000737386_100000210314 [0,1,0,0,0,0|2,0,1]=4 7451 B12R0.234 CCCCCCNCCCC(C)O 2230a_100000210581_200000718107 [0,1,0,0,0,0|1,0,2]=4 7452 B12R0.234 CCCCCCNCCCS(=O)C 2230a_200000753449_100000210314 [0,1,0,0,0,0|2,0,0]=3 7453 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000209853_100000210314 [0,1,0,0,0,0|2,0,0]=3 7454 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000210581_100000189650 [0,1,0,0,0,0|2,0,0]=3 7455 B12R0.234 CCCCCCNCCNC(=O)N 2230a_100000210581_200000034859 [0,1,0,0,0,0|2,0,0]=3 7456 B12R0.234 CCCCCCNCCNC(=O)N 34a_100020590234_100000210314 [0,1,0,0,0,0|2,0,0]=3 7457 B12R0.234 CCCCCCOCCC=C(C)C 34a_100000210259_100011217483 [0,1,0,0,0,0|2,0,1]=4 7458 B12R0.234 CCCCCCOCCC=C(C)C 7a_100000210259_100011217483 [0,1,0,0,0,0|2,0,1]=4 7459 B12R0.234 CCCCCCOCCC=C(F)F 34a_100000210259_200009816681 [0,1,0,0,0,0|2,0,1]=4 7460 B12R0.234 CCCCCCOCCC=C(F)F 7a_100000210259_200009816681 [0,1,0,0,0,0|2,0,1]=4 7461 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [0,1,0,0,0,0|1,0,0]=2 7462 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [0,1,0,0,0,0|1,0,0]=2 7463 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [0,1,0,0,0,0|1,0,0]=2 7464 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [0,1,0,0,0,0|1,0,0]=2 7465 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [0,1,0,0,0,0|1,0,0]=2 7466 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [0,1,0,0,0,0|1,0,0]=2 7467 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210259_100011214892 [0,1,0,0,0,0|2,0,1]=4 7468 B12R0.234 CCCCCCOCCCC(C)C 34a_100000210774_100000210314 [0,1,0,0,0,0|2,0,1]=4 7469 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210259_100011214892 [0,1,0,0,0,0|2,0,1]=4 7470 B12R0.234 CCCCCCOCCCC(C)C 7a_100000210774_100000210314 [0,1,0,0,0,0|2,0,1]=4 7471 B12R0.234 CCCCCCOCCCC(C)O 34a_100000210259_200000718107 [0,1,0,0,0,0|1,0,2]=4 7472 B12R0.234 CCCCCCOCCCC(C)O 7a_100000210259_200000718107 [0,1,0,0,0,0|1,0,2]=4 7473 B12R0.234 CCCCCCOCCCN(C)C 7a_100000210259_100000757444 [0,1,0,0,0,0|3,0,0]=4 7474 B12R0.234 CCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210314 [0,1,0,0,0,0|2,0,0]=3 7475 B12R0.234 CCCCCCOCCNC(=O)C 34a_100000158858_100000210314 [0,1,0,0,0,0|2,0,0]=3 7476 B12R0.234 CCCCCCOCCNC(=O)C 7a_100000210259_100000189650 [0,1,0,0,0,0|2,0,0]=3 7477 B12R0.234 CCCCCCOCCNC(=O)N 34a_100000181757_100000210314 [0,1,0,0,0,0|2,0,0]=3 7478 B12R0.234 CCCCCCOCCNC(=O)N 7a_100000210259_200000034859 [0,1,0,0,0,0|2,0,0]=3 7479 B12R0.234 CCCCCCOCCOC(=O)C 34a_100000210259_100009814007 [0,1,0,0,0,0|2,0,0]=3 7480 B12R0.234 CCCCCCOCCOC(=O)C 7a_100000210259_100009814007 [0,1,0,0,0,0|2,0,0]=3 7481 B12R0.234 CCCCCCOCCOC(=O)N 34a_100000210259_200011214921 [0,1,0,0,0,0|2,0,0]=3 7482 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000210259_200011214921 [0,1,0,0,0,0|2,0,0]=3 7483 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000766696_100000210314 [0,1,0,0,0,0|2,0,0]=3 7484 B12R0.234 CCCCCCSCCC=C(C)C 62a_100000210314_100011217483 [0,1,0,0,0,0|2,0,1]=4 7485 B12R0.234 CCCCCCSCCC=C(C)C 62a_100011217483_100000210757 [0,1,0,0,0,0|2,0,1]=4 7486 B12R0.234 CCCCCCSCCC=C(F)F 62a_100000210314_200009816681 [0,1,0,0,0,0|2,0,1]=4 7487 B12R0.234 CCCCCCSCCC=C(F)F 62a_200009816681_100000210757 [0,1,0,0,0,0|2,0,1]=4 7488 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [0,1,0,0,0,0|1,0,0]=2 7489 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [0,1,0,0,0,0|1,0,0]=2 7490 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [0,1,0,0,0,0|1,0,0]=2 7491 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [0,1,0,0,0,0|1,0,0]=2 7492 B12R0.234 CCCCCCSCCCC(C)C 62a_100000210314_100011214892 [0,1,0,0,0,0|2,0,1]=4 7493 B12R0.234 CCCCCCSCCCC(C)C 62a_100011214892_100000210757 [0,1,0,0,0,0|2,0,1]=4 7494 B12R0.234 CCCCCCSCCCC(C)O 62a_100000210314_200000718107 [0,1,0,0,0,0|1,0,2]=4 7495 B12R0.234 CCCCCCSCCCC(C)O 62a_200000718107_100000210757 [0,1,0,0,0,0|1,0,2]=4 7496 B12R0.234 CCCCCCSCCCN(C)C 62a_100000210314_100000757444 [0,1,0,0,0,0|3,0,0]=4 7497 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000189650_100000210757 [0,1,0,0,0,0|2,0,0]=3 7498 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000210314_100000189650 [0,1,0,0,0,0|2,0,0]=3 7499 B12R0.234 CCCCCCSCCNC(=O)N 62a_100000210314_200000034859 [0,1,0,0,0,0|2,0,0]=3 7500 B12R0.234 CCCCCCSCCNC(=O)N 62a_200000034859_100000210757 [0,1,0,0,0,0|2,0,0]=3 7501 B12R0.234 CCCCCCSCCOC(=O)C 62a_100000210314_100009814007 [0,1,0,0,0,0|2,0,0]=3 7502 B12R0.234 CCCCCCSCCOC(=O)C 62a_100009814007_100000210757 [0,1,0,0,0,0|2,0,0]=3 7503 B12R0.234 CCCCCCSCCOC(=O)N 62a_100000210314_200011214921 [0,1,0,0,0,0|2,0,0]=3 7504 B12R0.234 CCCCCCSCCOC(=O)N 62a_200011214921_100000210757 [0,1,0,0,0,0|2,0,0]=3 7505 B12R0.234 CCCCCNCCCCB(O)O 2230a_100000209983_200009817182 [0,1,0,0,0,0|2,0,1]=4 7506 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [0,1,0,0,0,0|1,0,0]=2 7507 B12R0.234 CCCCCNCCCCC(C)C 2230a_100000209983_100011216152 [0,1,0,0,0,0|2,0,1]=4 7508 B12R0.234 CCCCCNCCCNC(=O)C 34a_100000736810_100000718602 [0,1,0,0,0,0|2,0,0]=3 7509 B12R0.234 CCCCCNCCCOC(=S)C 2230a_100000209983_200135323944 [0,1,0,0,0,0|2,1,0]=4 7510 B12R0.234 CCCCCNCCCSC(=O)C 2230a_100000209983_100000038929 [0,1,0,0,0,0|2,0,0]=3 7511 B12R0.234 CCCCCNCCOCC(=O)N 2230a_100000209983_100000076697 [0,1,0,0,0,0|2,0,0]=3 7512 B12R0.234 CCCCCNCCOCC(=O)N 34a_100000224656_100000187820 [0,1,0,0,0,0|2,0,0]=3 7513 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [0,1,0,0,0,0|2,0,0]=3 7514 B12R0.234 CCCCCNCCOCC(=O)[O-] 34a_100000224656_100020667443 [0,1,0,0,0,0|2,0,0]=3 7515 B12R0.234 CCCCCNCCOC[N+](=O)[O-] 34a_100000224656_100000761209 [0,1,0,0,0,0|3,0,0]=4 7516 B12R0.234 CCCCCOCCCCB(O)O 34a_100000210253_200009817182 [0,1,0,0,0,0|2,0,1]=4 7517 B12R0.234 CCCCCOCCCCB(O)O 7a_100000210253_200009817182 [0,1,0,0,0,0|2,0,1]=4 7518 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [0,1,0,0,0,0|1,0,0]=2 7519 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [0,1,0,0,0,0|1,0,0]=2 7520 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [0,1,0,0,0,0|1,0,0]=2 7521 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [0,1,0,0,0,0|1,0,0]=2 7522 B12R0.234 CCCCCOCCCCC(C)C 34a_100000210253_100011216152 [0,1,0,0,0,0|2,0,1]=4 7523 B12R0.234 CCCCCOCCCCC(C)C 34a_100011214890_100000718602 [0,1,0,0,0,0|2,0,1]=4 7524 B12R0.234 CCCCCOCCCCC(C)C 7a_100000210253_100011216152 [0,1,0,0,0,0|2,0,1]=4 7525 B12R0.234 CCCCCOCCCCC(C)C 7a_100011214890_100000210326 [0,1,0,0,0,0|2,0,1]=4 7526 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000718602 [0,1,0,0,0,0|2,0,0]=3 7527 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210326 [0,1,0,0,0,0|2,0,0]=3 7528 B12R0.234 CCCCCOCCCNC(=O)C 34a_100000752032_100000718602 [0,1,0,0,0,0|2,0,0]=3 7529 B12R0.234 CCCCCOCCCOC(=O)C 34a_100000210253_100000042594 [0,1,0,0,0,0|2,0,0]=3 7530 B12R0.234 CCCCCOCCCOC(=O)C 7a_100000210253_100000042594 [0,1,0,0,0,0|2,0,0]=3 7531 B12R0.234 CCCCCOCCCOC(=S)C 34a_100000210253_200135323944 [0,1,0,0,0,0|2,1,0]=4 7532 B12R0.234 CCCCCOCCCOC(=S)C 7a_100000210253_200135323944 [0,1,0,0,0,0|2,1,0]=4 7533 B12R0.234 CCCCCOCCCSC(=O)C 34a_100000210253_100000038929 [0,1,0,0,0,0|2,0,0]=3 7534 B12R0.234 CCCCCOCCCSC(=O)C 7a_100000210253_100000038929 [0,1,0,0,0,0|2,0,0]=3 7535 B12R0.234 CCCCCOCCOCC(=O)N 34a_100000210253_100000076697 [0,1,0,0,0,0|2,0,0]=3 7536 B12R0.234 CCCCCOCCOCC(=O)N 34a_100011215259_100000187820 [0,1,0,0,0,0|2,0,0]=3 7537 B12R0.234 CCCCCOCCOCC(=O)N 7a_100000210253_100000076697 [0,1,0,0,0,0|2,0,0]=3 7538 B12R0.234 CCCCCOCCOCC(=O)N 7a_100011215259_100000187820 [0,1,0,0,0,0|2,0,0]=3 7539 B12R0.234 CCCCCOCCOCC(=O)[O-] 34a_100011215259_100020667443 [0,1,0,0,0,0|2,0,0]=3 7540 B12R0.234 CCCCCOCCOC[N+](=O)[O-] 34a_100011215259_100000761209 [0,1,0,0,0,0|3,0,0]=4 7541 B12R0.234 CCCCCSCCCCB(O)O 62a_100000210326_200009817182 [0,1,0,0,0,0|2,0,1]=4 7542 B12R0.234 CCCCCSCCCCB(O)O 62a_200009817182_100000210326 [0,1,0,0,0,0|2,0,1]=4 7543 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [0,1,0,0,0,0|1,0,0]=2 7544 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [0,1,0,0,0,0|1,0,0]=2 7545 B12R0.234 CCCCCSCCCCC(C)C 62a_100000210326_100011216152 [0,1,0,0,0,0|2,0,1]=4 7546 B12R0.234 CCCCCSCCCCC(C)C 62a_100011216152_100000210326 [0,1,0,0,0,0|2,0,1]=4 7547 B12R0.234 CCCCCSCCCCN(C)C 62a_100000210326_100000690147 [0,1,0,0,0,0|3,0,0]=4 7548 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000042594_100000210326 [0,1,0,0,0,0|2,0,0]=3 7549 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000210326_100000042594 [0,1,0,0,0,0|2,0,0]=3 7550 B12R0.234 CCCCCSCCCOC(=S)C 62a_100000210326_200135323944 [0,1,0,0,0,0|2,1,0]=4 7551 B12R0.234 CCCCCSCCCOC(=S)C 62a_200135323944_100000210326 [0,1,0,0,0,0|2,1,0]=4 7552 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000038929_100000210326 [0,1,0,0,0,0|2,0,0]=3 7553 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000210326_100000038929 [0,1,0,0,0,0|2,0,0]=3 7554 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000076697_100000210326 [0,1,0,0,0,0|2,0,0]=3 7555 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000210326_100000076697 [0,1,0,0,0,0|2,0,0]=3 7556 B12R0.234 CCCCNCCCCCB(O)O 2230a_100000102301_200009817188 [0,1,0,0,0,0|2,0,1]=4 7557 B12R0.234 CCCCNCCCCCB(O)O 7a_106832991798_200009817188 [0,1,0,0,0,0|2,0,1]=4 7558 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [0,1,0,0,0,0|1,0,0]=2 7559 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [0,1,0,0,0,0|1,0,0]=2 7560 B12R0.234 CCCCNCCCCCC(C)C 2230a_100000102301_100000210682 [0,1,0,0,0,0|2,0,1]=4 7561 B12R0.234 CCCCNCCCCCC(C)C 2230a_100011290863_100000210211 [0,1,0,0,0,0|2,0,1]=4 7562 B12R0.234 CCCCNCCCCCC(C)C 34a_100011290863_100000210210 [0,1,0,0,0,0|2,0,1]=4 7563 B12R0.234 CCCCNCCCCCC(C)C 7a_106832991798_100000210682 [0,1,0,0,0,0|2,0,1]=4 7564 B12R0.234 CCCCNCCCCNC(=O)C 2230a_200011368371_100000210211 [0,1,0,0,0,0|2,0,0]=3 7565 B12R0.234 CCCCNCCCCNC(=O)C 34a_200011368371_100000210210 [0,1,0,0,0,0|2,0,0]=3 7566 B12R0.234 CCCCNCCCCOC(=O)C 7a_106832991798_100000033659 [0,1,0,0,0,0|2,0,0]=3 7567 B12R0.234 CCCCNCCCCO[N+](=O)[O-] 7a_106832991798_100015694321 [0,1,0,0,0,0|3,0,0]=4 7568 B12R0.234 CCCCNCCCCSC(=O)C 2230a_100000102301_200010402107 [0,1,0,0,0,0|2,0,0]=3 7569 B12R0.234 CCCCNCCCCSC(=O)C 7a_106832991798_200010402107 [0,1,0,0,0,0|2,0,0]=3 7570 B12R0.234 CCCCOCCCCCB(O)O 34a_100000210227_200009817188 [0,1,0,0,0,0|2,0,1]=4 7571 B12R0.234 CCCCOCCCCCB(O)O 7a_100000210227_200009817188 [0,1,0,0,0,0|2,0,1]=4 7572 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [0,1,0,0,0,0|1,0,0]=2 7573 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [0,1,0,0,0,0|1,0,0]=2 7574 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [0,1,0,0,0,0|1,0,0]=2 7575 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [0,1,0,0,0,0|1,0,0]=2 7576 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [0,1,0,0,0,0|1,0,0]=2 7577 B12R0.234 CCCCOCCCCCC(C)C 34a_100000210227_100000210682 [0,1,0,0,0,0|2,0,1]=4 7578 B12R0.234 CCCCOCCCCCC(C)C 34a_100011995859_100000210210 [0,1,0,0,0,0|2,0,1]=4 7579 B12R0.234 CCCCOCCCCCC(C)C 7a_100000210227_100000210682 [0,1,0,0,0,0|2,0,1]=4 7580 B12R0.234 CCCCOCCCCCC(C)C 7a_100011995859_100000210211 [0,1,0,0,0,0|2,0,1]=4 7581 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000073216_100000210210 [0,1,0,0,0,0|2,0,0]=3 7582 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000210227_100000033659 [0,1,0,0,0,0|2,0,0]=3 7583 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000073216_100000210211 [0,1,0,0,0,0|2,0,0]=3 7584 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000210227_100000033659 [0,1,0,0,0,0|2,0,0]=3 7585 B12R0.234 CCCCOCCCCO[N+](=O)[O-] 34a_100000210227_100015694321 [0,1,0,0,0,0|3,0,0]=4 7586 B12R0.234 CCCCOCCCCO[N+](=O)[O-] 7a_100000210227_100015694321 [0,1,0,0,0,0|3,0,0]=4 7587 B12R0.234 CCCCOCCCCSC(=O)C 34a_100000210227_200010402107 [0,1,0,0,0,0|2,0,0]=3 7588 B12R0.234 CCCCOCCCCSC(=O)C 7a_100000210227_200010402107 [0,1,0,0,0,0|2,0,0]=3 7589 B12R0.234 CCCCOCCCNCC(=O)N 2230a_200000211371_100000747473 [0,1,0,0,0,0|2,0,0]=3 7590 B12R0.234 CCCCOCCCNCC(=O)N 34a_200000211371_100000187820 [0,1,0,0,0,0|2,0,0]=3 7591 B12R0.234 CCCCOCCCNCC(=O)[O-] 34a_200000211371_100020667443 [0,1,0,0,0,0|2,0,0]=3 7592 B12R0.234 CCCCOCCCNC[N+](=O)[O-] 34a_200000211371_100000761209 [0,1,0,0,0,0|3,0,0]=4 7593 B12R0.234 CCCCOCCCOCC(=O)N 34a_200011215613_100000187820 [0,1,0,0,0,0|2,0,0]=3 7594 B12R0.234 CCCCOCCCOCC(=O)N 7a_200011215613_100000187820 [0,1,0,0,0,0|2,0,0]=3 7595 B12R0.234 CCCCOCCCOCC(=O)[O-] 34a_200011215613_100020667443 [0,1,0,0,0,0|2,0,0]=3 7596 B12R0.234 CCCCOCCCOC[N+](=O)[O-] 34a_200011215613_100000761209 [0,1,0,0,0,0|3,0,0]=4 7597 B12R0.234 CCCCOCCNOCC(=O)O 269956a_100000106656_100000743108 [0,1,0,0,0,0|3,0,0]=4 7598 B12R0.234 CCCCOCCOCCC(=O)C 34a_100000759926_100000743108 [0,1,0,0,0,0|2,0,0]=3 7599 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000210238_100000053229 [0,1,0,0,0,0|2,0,0]=3 7600 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000759926_100000743108 [0,1,0,0,0,0|2,0,0]=3 7601 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000210238_100000731001 [0,1,0,0,0,0|2,0,0]=3 7602 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000757172_100000743108 [0,1,0,0,0,0|2,0,0]=3 7603 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000210238_100000744528 [0,1,0,0,0,0|2,0,0]=3 7604 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000757172_100000743108 [0,1,0,0,0,0|2,0,0]=3 7605 B12R0.234 CCCCOCCOCOC(=O)C 34a_100000210238_100009813279 [0,1,0,0,0,0|3,0,0]=4 7606 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000053229_100000743108 [0,1,0,0,0,0|2,0,0]=3 7607 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000743108_100000053229 [0,1,0,0,0,0|2,0,0]=3 7608 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000743108_100000744528 [0,1,0,0,0,0|2,0,0]=3 7609 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000744528_100000743108 [0,1,0,0,0,0|2,0,0]=3 7610 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000076356_100000743108 [0,1,0,0,0,0|3,0,0]=4 7611 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000743108_100000076356 [0,1,0,0,0,0|3,0,0]=4 7612 B12R0.234 CCCCOCNCCCC(=O)N 34a_100000739312_100011995733 [0,1,0,0,0,0|2,0,0]=3 7613 B12R0.234 CCCCOCNCCCS(=O)C 2230a_200000753449_100011995733 [0,1,0,0,0,0|3,0,0]=4 7614 B12R0.234 CCCCOCNCCNC(=O)C 2230a_100000209853_100011995733 [0,1,0,0,0,0|3,0,0]=4 7615 B12R0.234 CCCCOCNCCNC(=O)N 34a_100020590234_100011995733 [0,1,0,0,0,0|3,0,0]=4 7616 B12R0.234 CCCCOCOCCCC(=O)C 34a_100000759063_100011995733 [0,1,0,0,0,0|2,0,0]=3 7617 B12R0.234 CCCCOCOCCC[N+](=O)[O-] 34a_200000037920_100011995733 [0,1,0,0,0,0|3,0,0]=4 7618 B12R0.234 CCCCOCOCCNC(=O)C 34a_100000158858_100011995733 [0,1,0,0,0,0|3,0,0]=4 7619 B12R0.234 CCCCOCOCCNC(=O)N 34a_100000181757_100011995733 [0,1,0,0,0,0|3,0,0]=4 7620 B12R0.234 CCCCOCOCCOC(=O)C 34a_100000210227_100000076355 [0,1,0,0,0,0|3,0,0]=4 7621 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011215641_100011995733 [0,1,0,0,0,0|2,0,0]=3 7622 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011995733_100011215641 [0,1,0,0,0,0|2,0,0]=3 7623 B12R0.234 CCCCOCSCCCC(=O)N 62a_100011995733_100102525003 [0,1,0,0,0,0|2,0,0]=3 7624 B12R0.234 CCCCOCSCCCC(=O)N 62a_100102525003_100011995733 [0,1,0,0,0,0|2,0,0]=3 7625 B12R0.234 CCCCOCSCCNC(=O)C 62a_100000189650_100011995733 [0,1,0,0,0,0|3,0,0]=4 7626 B12R0.234 CCCCOCSCCNC(=O)C 62a_100011995733_100000189650 [0,1,0,0,0,0|3,0,0]=4 7627 B12R0.234 CCCCOCSCCNC(=O)N 62a_100011995733_200000034859 [0,1,0,0,0,0|3,0,0]=4 7628 B12R0.234 CCCCOCSCCNC(=O)N 62a_200000034859_100011995733 [0,1,0,0,0,0|3,0,0]=4 7629 B12R0.234 CCCCOCSCCOC(=O)C 62a_100009814007_100011995733 [0,1,0,0,0,0|3,0,0]=4 7630 B12R0.234 CCCCOCSCCOC(=O)C 62a_100011995733_100009814007 [0,1,0,0,0,0|3,0,0]=4 7631 B12R0.234 CCCCOCSCCOC(=O)N 62a_100011995733_200011214921 [0,1,0,0,0,0|3,0,0]=4 7632 B12R0.234 CCCCOCSCCOC(=O)N 62a_200011214921_100011995733 [0,1,0,0,0,0|3,0,0]=4 7633 B12R0.234 CCCCSCCCCCB(O)O 62a_100000210211_200009817188 [0,1,0,0,0,0|2,0,1]=4 7634 B12R0.234 CCCCSCCCCCB(O)O 62a_200009817188_100000210210 [0,1,0,0,0,0|2,0,1]=4 7635 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [0,1,0,0,0,0|1,0,0]=2 7636 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [0,1,0,0,0,0|1,0,0]=2 7637 B12R0.234 CCCCSCCCCCC(C)C 62a_100000210211_100000210682 [0,1,0,0,0,0|2,0,1]=4 7638 B12R0.234 CCCCSCCCCCC(C)C 62a_100000210682_100000210210 [0,1,0,0,0,0|2,0,1]=4 7639 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000033659_100000210210 [0,1,0,0,0,0|2,0,0]=3 7640 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000210211_100000033659 [0,1,0,0,0,0|2,0,0]=3 7641 B12R0.234 CCCCSCCCCO[N+](=O)[O-] 62a_100000210211_100015694321 [0,1,0,0,0,0|3,0,0]=4 7642 B12R0.234 CCCCSCCCCSC(=O)C 62a_100000210211_200010402107 [0,1,0,0,0,0|2,0,0]=3 7643 B12R0.234 CCCCSCCCCSC(=O)C 62a_200010402107_100000210210 [0,1,0,0,0,0|2,0,0]=3 7644 B12R0.234 CCCCSCCNCCC(=O)N 2230a_100025743550_100000744528 [0,1,0,0,0,0|2,0,0]=3 7645 B12R0.234 CCCCSCCOCCC(=O)C 7a_200000230436_100000053229 [0,1,0,0,0,0|2,0,0]=3 7646 B12R0.234 CCCCSCCOCCC(=O)N 34a_200000230436_100000731001 [0,1,0,0,0,0|2,0,0]=3 7647 B12R0.234 CCCCSCCOCCC(=O)N 7a_200000230436_100000744528 [0,1,0,0,0,0|2,0,0]=3 7648 B12R0.234 CCCCSCCOCOC(=O)C 34a_200000230436_100009813279 [0,1,0,0,0,0|3,0,0]=4 7649 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000076355_100000210210 [0,1,0,0,0,0|3,0,0]=4 7650 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000210211_100000076355 [0,1,0,0,0,0|3,0,0]=4 7651 B12R0.234 CCCNCCCCCCC(C)C 2230a_100000211014_100000210303 [0,1,0,0,0,0|2,0,1]=4 7652 B12R0.234 CCCNCCCCCCC(C)C 34a_100000211014_100000210303 [0,1,0,0,0,0|2,0,1]=4 7653 B12R0.234 CCCNCCCCCNC(=O)C 2230a_200012022750_100000210303 [0,1,0,0,0,0|2,0,0]=3 7654 B12R0.234 CCCNCCCCCNC(=O)C 34a_200012022750_100000210303 [0,1,0,0,0,0|2,0,0]=3 7655 B12R0.234 CCCOCCCCCCB(O)O 34a_100000210258_100009817187 [0,1,0,0,0,0|2,0,1]=4 7656 B12R0.234 CCCOCCCCCOC(=O)C 34a_100000210258_100000033007 [0,1,0,0,0,0|2,0,0]=3 7657 B12R0.234 CCCOCCCNCCC(=O)N 2230a_100011217757_100000744528 [0,1,0,0,0,0|2,0,0]=3 7658 B12R0.234 CCCOCCCNCCC(=O)N 34a_100011217757_100000731001 [0,1,0,0,0,0|2,0,0]=3 7659 B12R0.234 CCCOCCCNCOC(=O)C 34a_100011217757_100009813279 [0,1,0,0,0,0|3,0,0]=4 7660 B12R0.234 CCCOCCNCCCC(=O)C 34a_100161115042_100000685027 [0,1,0,0,0,0|2,0,0]=3 7661 B12R0.234 CCCOCCNCCCC(=O)N 34a_100000739312_100011215938 [0,1,0,0,0,0|2,0,0]=3 7662 B12R0.234 CCCOCCNCCCC(=O)N 34a_100161115042_100102525003 [0,1,0,0,0,0|2,0,0]=3 7663 B12R0.234 CCCOCCNCCCS(=O)C 2230a_200000753449_100011215938 [0,1,0,0,0,0|3,0,0]=4 7664 B12R0.234 CCCOCCNCCNC(=O)C 2230a_100000209853_100011215938 [0,1,0,0,0,0|3,0,0]=4 7665 B12R0.234 CCCOCCNCCNC(=O)C 2230a_100161115042_100000189650 [0,1,0,0,0,0|3,0,0]=4 7666 B12R0.234 CCCOCCNCCNC(=O)N 2230a_100161115042_200000034859 [0,1,0,0,0,0|3,0,0]=4 7667 B12R0.234 CCCOCCNCCNC(=O)N 34a_100020590234_100011215938 [0,1,0,0,0,0|3,0,0]=4 7668 B12R0.234 CCCOCCNCCOC(=O)C 34a_100161115042_100009814007 [0,1,0,0,0,0|3,0,0]=4 7669 B12R0.234 CCCOCCNCCOC(=O)N 34a_100161115042_200011214921 [0,1,0,0,0,0|3,0,0]=4 7670 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000752267_100000685027 [0,1,0,0,0,0|2,0,0]=3 7671 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000759063_100011215938 [0,1,0,0,0,0|2,0,0]=3 7672 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000752267_100011215641 [0,1,0,0,0,0|2,0,0]=3 7673 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000759063_100011215938 [0,1,0,0,0,0|2,0,0]=3 7674 B12R0.234 CCCOCCOCCCC(=O)N 34a_100000752267_100102525003 [0,1,0,0,0,0|2,0,0]=3 7675 B12R0.234 CCCOCCOCCCC(=O)N 7a_100000752267_100102525003 [0,1,0,0,0,0|2,0,0]=3 7676 B12R0.234 CCCOCCOCCC[N+](=O)[O-] 34a_200000037920_100011215938 [0,1,0,0,0,0|3,0,0]=4 7677 B12R0.234 CCCOCCOCCNC(=O)C 11a_200011904461_100015343762 [0,1,0,0,0,0|3,0,0]=4 7678 B12R0.234 CCCOCCOCCNC(=O)C 1626a_200011904461_100015343762 [0,1,0,0,0,0|3,0,0]=4 7679 B12R0.234 CCCOCCOCCNC(=O)C 240690a_200011904461_100015343762 [0,1,0,0,0,0|3,0,0]=4 7680 B12R0.234 CCCOCCOCCNC(=O)C 34a_100000158858_100011215938 [0,1,0,0,0,0|3,0,0]=4 7681 B12R0.234 CCCOCCOCCNC(=O)C 7a_100000752267_100000189650 [0,1,0,0,0,0|3,0,0]=4 7682 B12R0.234 CCCOCCOCCNC(=O)N 34a_100000181757_100011215938 [0,1,0,0,0,0|3,0,0]=4 7683 B12R0.234 CCCOCCOCCNC(=O)N 7a_100000752267_200000034859 [0,1,0,0,0,0|3,0,0]=4 7684 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000210258_200000083610 [0,1,0,0,0,0|3,0,0]=4 7685 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000752267_100009814007 [0,1,0,0,0,0|3,0,0]=4 7686 B12R0.234 CCCOCCOCCOC(=O)C 7a_100000752267_100009814007 [0,1,0,0,0,0|3,0,0]=4 7687 B12R0.234 CCCOCCOCCOC(=O)N 34a_100000752267_200011214921 [0,1,0,0,0,0|3,0,0]=4 7688 B12R0.234 CCCOCCOCCOC(=O)N 7a_100000752267_200011214921 [0,1,0,0,0,0|3,0,0]=4 7689 B12R0.234 CCCOCCOCCOC(=O)N 7a_100000766696_100011215938 [0,1,0,0,0,0|3,0,0]=4 7690 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215641_100011215938 [0,1,0,0,0,0|2,0,0]=3 7691 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215938_100011215641 [0,1,0,0,0,0|2,0,0]=3 7692 B12R0.234 CCCOCCSCCCC(=O)N 62a_100011215938_100102525003 [0,1,0,0,0,0|2,0,0]=3 7693 B12R0.234 CCCOCCSCCCC(=O)N 62a_100102525003_100011215938 [0,1,0,0,0,0|2,0,0]=3 7694 B12R0.234 CCCOCCSCCNC(=O)C 62a_100000189650_100011215938 [0,1,0,0,0,0|3,0,0]=4 7695 B12R0.234 CCCOCCSCCNC(=O)C 62a_100011215938_100000189650 [0,1,0,0,0,0|3,0,0]=4 7696 B12R0.234 CCCOCCSCCNC(=O)N 62a_100011215938_200000034859 [0,1,0,0,0,0|3,0,0]=4 7697 B12R0.234 CCCOCCSCCNC(=O)N 62a_200000034859_100011215938 [0,1,0,0,0,0|3,0,0]=4 7698 B12R0.234 CCCOCCSCCOC(=O)C 62a_100009814007_100011215938 [0,1,0,0,0,0|3,0,0]=4 7699 B12R0.234 CCCOCCSCCOC(=O)C 62a_100011215938_100009814007 [0,1,0,0,0,0|3,0,0]=4 7700 B12R0.234 CCCOCCSCCOC(=O)N 62a_100011215938_200011214921 [0,1,0,0,0,0|3,0,0]=4 7701 B12R0.234 CCCOCCSCCOC(=O)N 62a_200011214921_100011215938 [0,1,0,0,0,0|3,0,0]=4 7702 B12R0.234 CCCSCCCCCCB(O)O 62a_100000210303_100009817187 [0,1,0,0,0,0|2,0,1]=4 7703 B12R0.234 CCCSCCCCCCB(O)O 62a_100009817187_100000210303 [0,1,0,0,0,0|2,0,1]=4 7704 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000033007_100000210303 [0,1,0,0,0,0|2,0,0]=3 7705 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000210303_100000033007 [0,1,0,0,0,0|2,0,0]=3 7706 B12R0.234 CCCSCCNCCNC(=O)C 2230a_100020603323_100000189650 [0,1,0,0,0,0|3,0,0]=4 7707 B12R0.234 CCCSCCNCCNC(=O)N 2230a_100020603323_200000034859 [0,1,0,0,0,0|3,0,0]=4 7708 B12R0.234 CCCSCCOCCCC(=O)C 34a_200000230433_100000685027 [0,1,0,0,0,0|2,0,0]=3 7709 B12R0.234 CCCSCCOCCCC(=O)C 7a_200000230433_100011215641 [0,1,0,0,0,0|2,0,0]=3 7710 B12R0.234 CCCSCCOCCCC(=O)N 34a_200000230433_100102525003 [0,1,0,0,0,0|2,0,0]=3 7711 B12R0.234 CCCSCCOCCCC(=O)N 7a_200000230433_100102525003 [0,1,0,0,0,0|2,0,0]=3 7712 B12R0.234 CCCSCCOCCNC(=O)C 7a_200000230433_100000189650 [0,1,0,0,0,0|3,0,0]=4 7713 B12R0.234 CCCSCCOCCNC(=O)N 7a_200000230433_200000034859 [0,1,0,0,0,0|3,0,0]=4 7714 B12R0.234 CCCSCCOCCOC(=O)C 34a_200000230433_100009814007 [0,1,0,0,0,0|3,0,0]=4 7715 B12R0.234 CCCSCCOCCOC(=O)C 62a_100000210303_200000083610 [0,1,0,0,0,0|3,0,0]=4 7716 B12R0.234 CCCSCCOCCOC(=O)C 62a_200000083610_100000210303 [0,1,0,0,0,0|3,0,0]=4 7717 B12R0.234 CCCSCCOCCOC(=O)C 7a_200000230433_100009814007 [0,1,0,0,0,0|3,0,0]=4 7718 B12R0.234 CCCSCCOCCOC(=O)N 34a_200000230433_200011214921 [0,1,0,0,0,0|3,0,0]=4 7719 B12R0.234 CCCSCCOCCOC(=O)N 7a_200000230433_200011214921 [0,1,0,0,0,0|3,0,0]=4 7720 B12R0.234 CCNCCCCCCNC(=O)C 2230a_200011996284_100000210202 [0,1,0,0,0,0|2,0,0]=3 7721 B12R0.234 CCNCCCCCCNC(=O)C 34a_200011996284_100000210202 [0,1,0,0,0,0|2,0,0]=3 7722 B12R0.234 CCNCCOCCOCC(=O)O 269956a_100009854275_100000210202 [0,1,0,0,0,0|3,0,0]=4 7723 B12R0.234 CCOCCCCCCCC(C)C 34a_200000210741_100000210202 [0,1,0,0,0,0|2,0,1]=4 7724 B12R0.234 CCOCCCCCCCC(C)C 7a_200000210741_100000210202 [0,1,0,0,0,0|2,0,1]=4 7725 B12R0.234 CCOCCCNCCCC(=O)C 34a_100000210961_100000685027 [0,1,0,0,0,0|2,0,0]=3 7726 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000210961_100102525003 [0,1,0,0,0,0|2,0,0]=3 7727 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000739312_100012232248 [0,1,0,0,0,0|2,0,0]=3 7728 B12R0.234 CCOCCCNCCCS(=O)C 2230a_200000753449_100012232248 [0,1,0,0,0,0|3,0,0]=4 7729 B12R0.234 CCOCCCNCCNC(=O)C 2230a_100000209853_100012232248 [0,1,0,0,0,0|3,0,0]=4 7730 B12R0.234 CCOCCCNCCNC(=O)C 2230a_100000210961_100000189650 [0,1,0,0,0,0|3,0,0]=4 7731 B12R0.234 CCOCCCNCCNC(=O)N 2230a_100000210961_200000034859 [0,1,0,0,0,0|3,0,0]=4 7732 B12R0.234 CCOCCCNCCNC(=O)N 34a_100020590234_100012232248 [0,1,0,0,0,0|3,0,0]=4 7733 B12R0.234 CCOCCCNCCOC(=O)C 34a_100000210961_100009814007 [0,1,0,0,0,0|3,0,0]=4 7734 B12R0.234 CCOCCCNCCOC(=O)N 34a_100000210961_200011214921 [0,1,0,0,0,0|3,0,0]=4 7735 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000757476_100000685027 [0,1,0,0,0,0|2,0,0]=3 7736 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000759063_100012232248 [0,1,0,0,0,0|2,0,0]=3 7737 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000757476_100011215641 [0,1,0,0,0,0|2,0,0]=3 7738 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000759063_100012232248 [0,1,0,0,0,0|2,0,0]=3 7739 B12R0.234 CCOCCCOCCCC(=O)N 34a_100000757476_100102525003 [0,1,0,0,0,0|2,0,0]=3 7740 B12R0.234 CCOCCCOCCCC(=O)N 7a_100000757476_100102525003 [0,1,0,0,0,0|2,0,0]=3 7741 B12R0.234 CCOCCCOCCC[N+](=O)[O-] 34a_200000037920_100012232248 [0,1,0,0,0,0|3,0,0]=4 7742 B12R0.234 CCOCCCOCCNC(=O)C 34a_100000158858_100012232248 [0,1,0,0,0,0|3,0,0]=4 7743 B12R0.234 CCOCCCOCCNC(=O)C 7a_100000757476_100000189650 [0,1,0,0,0,0|3,0,0]=4 7744 B12R0.234 CCOCCCOCCNC(=O)N 34a_100000181757_100012232248 [0,1,0,0,0,0|3,0,0]=4 7745 B12R0.234 CCOCCCOCCNC(=O)N 7a_100000757476_200000034859 [0,1,0,0,0,0|3,0,0]=4 7746 B12R0.234 CCOCCCOCCOC(=O)C 34a_100000757476_100009814007 [0,1,0,0,0,0|3,0,0]=4 7747 B12R0.234 CCOCCCOCCOC(=O)C 7a_100000757476_100009814007 [0,1,0,0,0,0|3,0,0]=4 7748 B12R0.234 CCOCCCOCCOC(=O)N 34a_100000757476_200011214921 [0,1,0,0,0,0|3,0,0]=4 7749 B12R0.234 CCOCCCOCCOC(=O)N 7a_100000757476_200011214921 [0,1,0,0,0,0|3,0,0]=4 7750 B12R0.234 CCOCCCOCCOC(=O)N 7a_100000766696_100012232248 [0,1,0,0,0,0|3,0,0]=4 7751 B12R0.234 CCOCCCSCCCC(=O)C 62a_100011215641_100012232248 [0,1,0,0,0,0|2,0,0]=3 7752 B12R0.234 CCOCCCSCCCC(=O)C 62a_100012232248_100011215641 [0,1,0,0,0,0|2,0,0]=3 7753 B12R0.234 CCOCCCSCCCC(=O)N 62a_100012232248_100102525003 [0,1,0,0,0,0|2,0,0]=3 7754 B12R0.234 CCOCCCSCCCC(=O)N 62a_100102525003_100012232248 [0,1,0,0,0,0|2,0,0]=3 7755 B12R0.234 CCOCCCSCCNC(=O)C 62a_100000189650_100012232248 [0,1,0,0,0,0|3,0,0]=4 7756 B12R0.234 CCOCCCSCCNC(=O)C 62a_100012232248_100000189650 [0,1,0,0,0,0|3,0,0]=4 7757 B12R0.234 CCOCCCSCCNC(=O)N 62a_100012232248_200000034859 [0,1,0,0,0,0|3,0,0]=4 7758 B12R0.234 CCOCCCSCCNC(=O)N 62a_200000034859_100012232248 [0,1,0,0,0,0|3,0,0]=4 7759 B12R0.234 CCOCCCSCCOC(=O)C 62a_100009814007_100012232248 [0,1,0,0,0,0|3,0,0]=4 7760 B12R0.234 CCOCCCSCCOC(=O)C 62a_100012232248_100009814007 [0,1,0,0,0,0|3,0,0]=4 7761 B12R0.234 CCOCCCSCCOC(=O)N 62a_100012232248_200011214921 [0,1,0,0,0,0|3,0,0]=4 7762 B12R0.234 CCOCCCSCCOC(=O)N 62a_200011214921_100012232248 [0,1,0,0,0,0|3,0,0]=4 7763 B12R0.234 CCOCCNCCCCC(=O)C 34a_102516460346_100009817362 [0,1,0,0,0,0|2,0,0]=3 7764 B12R0.234 CCOCCNCCCCC(=O)N 34a_100000696515_100000210147 [0,1,0,0,0,0|2,0,0]=3 7765 B12R0.234 CCOCCNCCCNC(=O)C 34a_100000736810_100000210147 [0,1,0,0,0,0|3,0,0]=4 7766 B12R0.234 CCOCCNCCCOC(=O)C 34a_102516460346_100000042594 [0,1,0,0,0,0|3,0,0]=4 7767 B12R0.234 CCOCCNCCCSC(=O)C 2230a_102516460346_100000038929 [0,1,0,0,0,0|3,0,0]=4 7768 B12R0.234 CCOCCNCCCSC(=O)C 34a_102516460346_100000038929 [0,1,0,0,0,0|3,0,0]=4 7769 B12R0.234 CCOCCNCCOCC(=O)N 2230a_102516460346_100000076697 [0,1,0,0,0,0|3,0,0]=4 7770 B12R0.234 CCOCCNCCOCC(=O)N 34a_102516460346_100000076697 [0,1,0,0,0,0|3,0,0]=4 7771 B12R0.234 CCOCCNCCOCC(=O)O 269956a_100000700818_100000210147 [0,1,0,0,0,0|3,0,0]=4 7772 B12R0.234 CCOCCOCCCCC(=O)C 34a_100000210136_100009817362 [0,1,0,0,0,0|2,0,0]=3 7773 B12R0.234 CCOCCOCCCCC(=O)C 7a_100000210136_100000735457 [0,1,0,0,0,0|2,0,0]=3 7774 B12R0.234 CCOCCOCCCCC(=O)N 34a_100012022536_100000210147 [0,1,0,0,0,0|2,0,0]=3 7775 B12R0.234 CCOCCOCCCCC(=O)N 7a_100012022536_100011215890 [0,1,0,0,0,0|2,0,0]=3 7776 B12R0.234 CCOCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210147 [0,1,0,0,0,0|3,0,0]=4 7777 B12R0.234 CCOCCOCCCC[N+](=O)[O-] 7a_200015379883_100011215890 [0,1,0,0,0,0|3,0,0]=4 7778 B12R0.234 CCOCCOCCCNC(=O)C 34a_100000752032_100000210147 [0,1,0,0,0,0|3,0,0]=4 7779 B12R0.234 CCOCCOCCCOC(=O)C 34a_100000210136_100000042594 [0,1,0,0,0,0|3,0,0]=4 7780 B12R0.234 CCOCCOCCCOC(=O)C 7a_100000210136_100000042594 [0,1,0,0,0,0|3,0,0]=4 7781 B12R0.234 CCOCCOCCCSC(=O)C 34a_100000210136_100000038929 [0,1,0,0,0,0|3,0,0]=4 7782 B12R0.234 CCOCCOCCCSC(=O)C 7a_100000210136_100000038929 [0,1,0,0,0,0|3,0,0]=4 7783 B12R0.234 CCOCCOCCNCC(=O)N 2230a_100000711301_100011211534 [0,1,0,0,0,0|3,0,0]=4 7784 B12R0.234 CCOCCOCCNCC(=O)N 2230a_100102712874_100000747473 [0,1,0,0,0,0|3,0,0]=4 7785 B12R0.234 CCOCCOCCNCC(=O)N 34a_100102712874_100000187820 [0,1,0,0,0,0|3,0,0]=4 7786 B12R0.234 CCOCCOCCNCC(=O)O 269956a_100016091260_100011211534 [0,1,0,0,0,0|3,0,0]=4 7787 B12R0.234 CCOCCOCCNCC(=O)[O-] 34a_100102712874_100020667443 [0,1,0,0,0,0|3,0,0]=4 7788 B12R0.234 CCOCCOCCOCC(=O)C 34a_100000211253_100011211534 [0,1,0,0,0,0|3,0,0]=4 7789 B12R0.234 CCOCCOCCOCC(=O)N 34a_100000210136_100000076697 [0,1,0,0,0,0|3,0,0]=4 7790 B12R0.234 CCOCCOCCOCC(=O)N 34a_100000210240_100000187820 [0,1,0,0,0,0|3,0,0]=4 7791 B12R0.234 CCOCCOCCOCC(=O)N 7a_100000210136_100000076697 [0,1,0,0,0,0|3,0,0]=4 7792 B12R0.234 CCOCCOCCOCC(=O)N 7a_100000210240_100000187820 [0,1,0,0,0,0|3,0,0]=4 7793 B12R0.234 CCOCCOCCOCC(=O)[O-] 34a_100000210240_100020667443 [0,1,0,0,0,0|3,0,0]=4 7794 B12R0.234 CCOCCOCCSCC(=O)N 62a_100000747473_100011211534 [0,1,0,0,0,0|3,0,0]=4 7795 B12R0.234 CCOCCOCCSCC(=O)N 62a_100011211534_100000747473 [0,1,0,0,0,0|3,0,0]=4 7796 B12R0.234 CCOCCOCCSCC(=O)[O-] 62a_100011211534_100020667443 [0,1,0,0,0,0|3,0,0]=4 7797 B12R0.234 CCOCCOCCSCC(=O)[O-] 62a_100020667443_100011211534 [0,1,0,0,0,0|3,0,0]=4 7798 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000210147_100000735457 [0,1,0,0,0,0|2,0,0]=3 7799 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000735457_100011215890 [0,1,0,0,0,0|2,0,0]=3 7800 B12R0.234 CCOCCSCCCOC(=O)C 62a_100000042594_100011215890 [0,1,0,0,0,0|3,0,0]=4 7801 B12R0.234 CCOCCSCCCOC(=O)C 62a_100000210147_100000042594 [0,1,0,0,0,0|3,0,0]=4 7802 B12R0.234 CCOCCSCCCSC(=O)C 62a_100000038929_100011215890 [0,1,0,0,0,0|3,0,0]=4 7803 B12R0.234 CCOCCSCCCSC(=O)C 62a_100000210147_100000038929 [0,1,0,0,0,0|3,0,0]=4 7804 B12R0.234 CCOCCSCCOCC(=O)N 62a_100000076697_100011215890 [0,1,0,0,0,0|3,0,0]=4 7805 B12R0.234 CCOCCSCCOCC(=O)N 62a_100000210147_100000076697 [0,1,0,0,0,0|3,0,0]=4 7806 B12R0.234 CCOCSCCCCCC(=O)N 62a_100000739092_100009817443 [0,1,0,0,0,0|2,0,0]=3 7807 B12R0.234 CCOCSCCCCCC(=O)N 62a_100009817443_100000739092 [0,1,0,0,0,0|2,0,0]=3 7808 B12R0.234 CCOCSCCCCOC(=O)C 62a_100000033659_100000739092 [0,1,0,0,0,0|3,0,0]=4 7809 B12R0.234 CCOCSCCCCOC(=O)C 62a_100000739092_100000033659 [0,1,0,0,0,0|3,0,0]=4 7810 B12R0.234 CCOCSCCCCSC(=O)C 62a_100000739092_200010402107 [0,1,0,0,0,0|3,0,0]=4 7811 B12R0.234 CCOCSCCCCSC(=O)C 62a_200010402107_100000739092 [0,1,0,0,0,0|3,0,0]=4 7812 B12R0.234 CCSCCCOCCCC(=O)C 34a_100011216438_100000685027 [0,1,0,0,0,0|2,0,0]=3 7813 B12R0.234 CCSCCCOCCCC(=O)C 7a_100011216438_100011215641 [0,1,0,0,0,0|2,0,0]=3 7814 B12R0.234 CCSCCCOCCCC(=O)N 34a_100011216438_100102525003 [0,1,0,0,0,0|2,0,0]=3 7815 B12R0.234 CCSCCCOCCCC(=O)N 7a_100011216438_100102525003 [0,1,0,0,0,0|2,0,0]=3 7816 B12R0.234 CCSCCCOCCNC(=O)C 7a_100011216438_100000189650 [0,1,0,0,0,0|3,0,0]=4 7817 B12R0.234 CCSCCCOCCNC(=O)N 7a_100011216438_200000034859 [0,1,0,0,0,0|3,0,0]=4 7818 B12R0.234 CCSCCCOCCOC(=O)C 34a_100011216438_100009814007 [0,1,0,0,0,0|3,0,0]=4 7819 B12R0.234 CCSCCCOCCOC(=O)C 7a_100011216438_100009814007 [0,1,0,0,0,0|3,0,0]=4 7820 B12R0.234 CCSCCCOCCOC(=O)N 34a_100011216438_200011214921 [0,1,0,0,0,0|3,0,0]=4 7821 B12R0.234 CCSCCCOCCOC(=O)N 7a_100011216438_200011214921 [0,1,0,0,0,0|3,0,0]=4 7822 B12R0.234 CCSCCNCCCCC(=O)N 34a_100000696515_100000757381 [0,1,0,0,0,0|2,0,0]=3 7823 B12R0.234 CCSCCNCCCNC(=O)C 34a_100000736810_100000757381 [0,1,0,0,0,0|3,0,0]=4 7824 B12R0.234 CCSCCNCCCSC(=O)C 2230a_100000106463_100000038929 [0,1,0,0,0,0|3,0,0]=4 7825 B12R0.234 CCSCCNCCOCC(=O)N 2230a_100000106463_100000076697 [0,1,0,0,0,0|3,0,0]=4 7826 B12R0.234 CCSCCNCCOCC(=O)O 269956a_100000700818_100000757381 [0,1,0,0,0,0|3,0,0]=4 7827 B12R0.234 CCSCCOCCCCC(=O)C 34a_100000212035_100009817362 [0,1,0,0,0,0|2,0,0]=3 7828 B12R0.234 CCSCCOCCCCC(=O)C 7a_100000212035_100000735457 [0,1,0,0,0,0|2,0,0]=3 7829 B12R0.234 CCSCCOCCCCC(=O)N 34a_100012022536_100000757381 [0,1,0,0,0,0|2,0,0]=3 7830 B12R0.234 CCSCCOCCCCC(=O)N 7a_100012022536_100000757381 [0,1,0,0,0,0|2,0,0]=3 7831 B12R0.234 CCSCCOCCCC[N+](=O)[O-] 34a_200015379883_100000757381 [0,1,0,0,0,0|3,0,0]=4 7832 B12R0.234 CCSCCOCCCC[N+](=O)[O-] 7a_200015379883_100000757381 [0,1,0,0,0,0|3,0,0]=4 7833 B12R0.234 CCSCCOCCCNC(=O)C 34a_100000752032_100000757381 [0,1,0,0,0,0|3,0,0]=4 7834 B12R0.234 CCSCCOCCCOC(=O)C 34a_100000212035_100000042594 [0,1,0,0,0,0|3,0,0]=4 7835 B12R0.234 CCSCCOCCCOC(=O)C 7a_100000212035_100000042594 [0,1,0,0,0,0|3,0,0]=4 7836 B12R0.234 CCSCCOCCCSC(=O)C 34a_100000212035_100000038929 [0,1,0,0,0,0|3,0,0]=4 7837 B12R0.234 CCSCCOCCCSC(=O)C 7a_100000212035_100000038929 [0,1,0,0,0,0|3,0,0]=4 7838 B12R0.234 CCSCCOCCOCC(=O)N 34a_100000212035_100000076697 [0,1,0,0,0,0|3,0,0]=4 7839 B12R0.234 CCSCCOCCOCC(=O)N 7a_100000212035_100000076697 [0,1,0,0,0,0|3,0,0]=4 7840 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000735457_100000757381 [0,1,0,0,0,0|2,0,0]=3 7841 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000757381_100000735457 [0,1,0,0,0,0|2,0,0]=3 7842 B12R0.234 CCSCCSCCCOC(=O)C 62a_100000042594_100000757381 [0,1,0,0,0,0|3,0,0]=4 7843 B12R0.234 CCSCCSCCCOC(=O)C 62a_100000757381_100000042594 [0,1,0,0,0,0|3,0,0]=4 7844 B12R0.234 CCSCCSCCCSC(=O)C 62a_100000038929_100000757381 [0,1,0,0,0,0|3,0,0]=4 7845 B12R0.234 CCSCCSCCCSC(=O)C 62a_100000757381_100000038929 [0,1,0,0,0,0|3,0,0]=4 7846 B12R0.234 CCSCCSCCOCC(=O)N 62a_100000076697_100000757381 [0,1,0,0,0,0|3,0,0]=4 7847 B12R0.234 CCSCCSCCOCC(=O)N 62a_100000757381_100000076697 [0,1,0,0,0,0|3,0,0]=4 7848 B12R0.234 CN(C)CCCCCCCCCO 2230a_100102631434_100009813782 [0,1,0,0,0,0|1,0,2]=4 7849 B12R0.234 CN(C)CCCCCCCCCO 269982a_100102631434_100009813782 [0,1,0,0,0,0|1,0,2]=4 7850 B12R0.234 CN(C)CCCCSCCCC=O 62a_200011292268_100000690147 [0,1,0,0,0,0|2,0,0]=3 7851 B12R0.234 CN(C)CCCSCCCCC=O 62a_100000139335_100000757444 [0,1,0,0,0,0|2,0,0]=3 7852 B12R0.234 CN(C)CCSCCCCCC=O 62a_100000139337_100000755713 [0,1,0,0,0,0|2,0,0]=3 7853 B12R0.234 CNCCCCCOCCC(=O)N 34a_100000722520_100000731001 [0,1,0,0,0,0|2,0,0]=3 7854 B12R0.234 CNCCCCCOCCC(C)C 34a_100000722520_100000210312 [0,1,0,0,0,0|3,0,0]=4 7855 B12R0.234 CNCCCCCOCCC(C)O 34a_100000722520_100012276601 [0,1,0,0,0,0|3,0,0]=4 7856 B12R0.234 CNCCCCCOCOC(=O)C 34a_100000722520_100009813279 [0,1,0,0,0,0|3,0,0]=4 7857 B12R0.234 CNCCCOCCCCC(=O)C 34a_100000213112_100009817362 [0,1,0,0,0,0|2,0,0]=3 7858 B12R0.234 CNCCCOCCCCC(C)C 34a_100000213112_100011216152 [0,1,0,0,0,0|3,0,0]=4 7859 B12R0.234 CNCCCOCCCOC(=O)C 34a_100000213112_100000042594 [0,1,0,0,0,0|3,0,0]=4 7860 B12R0.234 CNCCCOCCCSC(=O)C 34a_100000213112_100000038929 [0,1,0,0,0,0|3,0,0]=4 7861 B12R0.234 CNCCCOCCOCC(=O)N 34a_100000213112_100000076697 [0,1,0,0,0,0|3,0,0]=4 7862 B12R0.234 CNCCOCCOCCC(=O)N 34a_100000228057_100000731001 [0,1,0,0,0,0|3,0,0]=4 7863 B12R0.234 COCCCCCCNCC(=O)N 2230a_100000711301_100011998445 [0,1,0,0,0,0|2,0,0]=3 7864 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [0,1,0,0,0,0|2,0,0]=3 7865 B12R0.234 COCCCCCCNCC(C)C 2230a_100000210953_100011998445 [0,1,0,0,0,0|3,0,0]=4 7866 B12R0.234 COCCCCCCNCC(C)C 34a_100000210953_100011998445 [0,1,0,0,0,0|3,0,0]=4 7867 B12R0.234 COCCCCCCNCC(C)O 2230a_100000210904_100011998445 [0,1,0,0,0,0|3,0,0]=4 7868 B12R0.234 COCCCCCCNCC(C)O 34a_100000210904_100011998445 [0,1,0,0,0,0|3,0,0]=4 7869 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [0,1,0,0,0,0|2,0,0]=3 7870 B12R0.234 COCCCCCCOCC(=O)N 34a_200012092642_100000187820 [0,1,0,0,0,0|2,0,0]=3 7871 B12R0.234 COCCCCCCOCC(=O)N 7a_200012092642_100000187820 [0,1,0,0,0,0|2,0,0]=3 7872 B12R0.234 COCCCCCCOCC(=O)[O-] 34a_200012092642_100020667443 [0,1,0,0,0,0|2,0,0]=3 7873 B12R0.234 COCCCCCCOCC(C)Br 34a_100012180447_100011998445 [0,1,0,0,0,0|3,0,0]=4 7874 B12R0.234 COCCCCCCOCC(C)C 34a_100000210257_100011998445 [0,1,0,0,0,0|3,0,0]=4 7875 B12R0.234 COCCCCCCOCC(C)C 34a_200012092642_100000210624 [0,1,0,0,0,0|3,0,0]=4 7876 B12R0.234 COCCCCCCOCC(C)C 7a_200012092642_100000210760 [0,1,0,0,0,0|3,0,0]=4 7877 B12R0.234 COCCCCCCOCC(C)F 34a_100015925927_100011998445 [0,1,0,0,0,0|3,0,0]=4 7878 B12R0.234 COCCCCCCOCC(C)O 34a_200012092642_100011218427 [0,1,0,0,0,0|3,0,0]=4 7879 B12R0.234 COCCCCCCOCC(C)O 7a_200012092642_100011218427 [0,1,0,0,0,0|3,0,0]=4 7880 B12R0.234 COCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011998445 [0,1,0,0,0,0|3,0,0]=4 7881 B12R0.234 COCCCCCCOC[C@@H](C)N 34a_100000737577_100011998445 [0,1,0,0,0,0|3,0,0]=4 7882 B12R0.234 COCCCCCCOC[C@@H](C)O 34a_200012092642_100009817552 [0,1,0,0,0,0|3,0,0]=4 7883 B12R0.234 COCCCCCCOC[C@@H](C)O 7a_200012092642_100009817552 [0,1,0,0,0,0|3,0,0]=4 7884 B12R0.234 COCCCCCCOC[N+](=O)[O-] 34a_200012092642_100000761209 [0,1,0,0,0,0|3,0,0]=4 7885 B12R0.234 COCCCCCCSCC(=O)N 62a_100000747473_100011998445 [0,1,0,0,0,0|2,0,0]=3 7886 B12R0.234 COCCCCCCSCC(=O)N 62a_100011998445_100000747473 [0,1,0,0,0,0|2,0,0]=3 7887 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100011998445_100020667443 [0,1,0,0,0,0|2,0,0]=3 7888 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100020667443_100011998445 [0,1,0,0,0,0|2,0,0]=3 7889 B12R0.234 COCCCCCCSCC(C)C 62a_100000210624_100011998445 [0,1,0,0,0,0|3,0,0]=4 7890 B12R0.234 COCCCCCCSCC(C)C 62a_100011998445_100000210760 [0,1,0,0,0,0|3,0,0]=4 7891 B12R0.234 COCCCCCCSCC(C)O 62a_100011218427_100011998445 [0,1,0,0,0,0|3,0,0]=4 7892 B12R0.234 COCCCCCCSCC(C)O 62a_100011998445_100011218427 [0,1,0,0,0,0|3,0,0]=4 7893 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100009817552_100011998445 [0,1,0,0,0,0|3,0,0]=4 7894 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100011998445_100009817552 [0,1,0,0,0,0|3,0,0]=4 7895 B12R0.234 COCCCCCCSC[N+](=O)[O-] 62a_100011998445_100000761209 [0,1,0,0,0,0|3,0,0]=4 7896 B12R0.234 COCCCCCNCCC(=O)N 2230a_100000747528_100000744528 [0,1,0,0,0,0|2,0,0]=3 7897 B12R0.234 COCCCCCNCCC(=O)N 34a_100000747528_100000731001 [0,1,0,0,0,0|2,0,0]=3 7898 B12R0.234 COCCCCCNCCC(C)C 2230a_100000747528_100000210312 [0,1,0,0,0,0|3,0,0]=4 7899 B12R0.234 COCCCCCNCCC(C)C 269862a_100000747528_100000185833 [0,1,0,0,0,0|3,0,0]=4 7900 B12R0.234 COCCCCCNCCC(C)C 34a_100000747528_100000210312 [0,1,0,0,0,0|3,0,0]=4 7901 B12R0.234 COCCCCCNCCC(C)O 2230a_100000747528_100012276601 [0,1,0,0,0,0|3,0,0]=4 7902 B12R0.234 COCCCCCNCCC(C)O 34a_100000747528_100012276601 [0,1,0,0,0,0|3,0,0]=4 7903 B12R0.234 COCCCCCNCOC(=O)C 34a_100000747528_100009813279 [0,1,0,0,0,0|3,0,0]=4 7904 B12R0.234 COCCCCNCCCC(=O)N 34a_100000739312_100000755781 [0,1,0,0,0,0|2,0,0]=3 7905 B12R0.234 COCCCCNCCCC(C)C 2230a_200000737386_100000730899 [0,1,0,0,0,0|3,0,0]=4 7906 B12R0.234 COCCCCNCCCC(C)C 34a_200000737386_100000755781 [0,1,0,0,0,0|3,0,0]=4 7907 B12R0.234 COCCCCNCCCS(=O)C 2230a_200000753449_100000730899 [0,1,0,0,0,0|3,0,0]=4 7908 B12R0.234 COCCCCNCCNC(=O)C 2230a_100000209853_100000730899 [0,1,0,0,0,0|3,0,0]=4 7909 B12R0.234 COCCCCNCCNC(=O)N 34a_100020590234_100000755781 [0,1,0,0,0,0|3,0,0]=4 7910 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [0,1,0,0,0,0|2,0,0]=3 7911 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [0,1,0,0,0,0|2,0,0]=3 7912 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [0,1,0,0,0,0|2,0,0]=3 7913 B12R0.234 COCCCCOCCCC(=O)N 34a_100000740925_100102525003 [0,1,0,0,0,0|2,0,0]=3 7914 B12R0.234 COCCCCOCCCC(C)C 34a_100000210774_100000755781 [0,1,0,0,0,0|3,0,0]=4 7915 B12R0.234 COCCCCOCCCC(C)C 34a_100000740925_100011214892 [0,1,0,0,0,0|3,0,0]=4 7916 B12R0.234 COCCCCOCCCC(C)C 7a_100000210774_100000730899 [0,1,0,0,0,0|3,0,0]=4 7917 B12R0.234 COCCCCOCCCC(C)O 34a_100000740925_200000718107 [0,1,0,0,0,0|3,0,0]=4 7918 B12R0.234 COCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000755781 [0,1,0,0,0,0|3,0,0]=4 7919 B12R0.234 COCCCCOCCNC(=O)C 34a_100000158858_100000755781 [0,1,0,0,0,0|3,0,0]=4 7920 B12R0.234 COCCCCOCCNC(=O)N 34a_100000181757_100000755781 [0,1,0,0,0,0|3,0,0]=4 7921 B12R0.234 COCCCCOCCOC(=O)C 34a_100000740925_100009814007 [0,1,0,0,0,0|3,0,0]=4 7922 B12R0.234 COCCCCOCCOC(=O)N 34a_100000740925_200011214921 [0,1,0,0,0,0|3,0,0]=4 7923 B12R0.234 COCCCCOCCOC(=O)N 7a_100000766696_100000730899 [0,1,0,0,0,0|3,0,0]=4 7924 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [0,1,0,0,0,0|2,0,0]=3 7925 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [0,1,0,0,0,0|2,0,0]=3 7926 B12R0.234 COCCCCSCCCC(=O)N 62a_100000730899_100102525003 [0,1,0,0,0,0|2,0,0]=3 7927 B12R0.234 COCCCCSCCCC(=O)N 62a_100102525003_100000730899 [0,1,0,0,0,0|2,0,0]=3 7928 B12R0.234 COCCCCSCCCC(C)C 62a_100000730899_100011214892 [0,1,0,0,0,0|3,0,0]=4 7929 B12R0.234 COCCCCSCCCC(C)C 62a_100011214892_100000730899 [0,1,0,0,0,0|3,0,0]=4 7930 B12R0.234 COCCCCSCCCC(C)O 62a_100000730899_200000718107 [0,1,0,0,0,0|3,0,0]=4 7931 B12R0.234 COCCCCSCCCC(C)O 62a_200000718107_100000730899 [0,1,0,0,0,0|3,0,0]=4 7932 B12R0.234 COCCCCSCCNC(=O)C 62a_100000189650_100000730899 [0,1,0,0,0,0|3,0,0]=4 7933 B12R0.234 COCCCCSCCNC(=O)C 62a_100000730899_100000189650 [0,1,0,0,0,0|3,0,0]=4 7934 B12R0.234 COCCCCSCCNC(=O)N 62a_100000730899_200000034859 [0,1,0,0,0,0|3,0,0]=4 7935 B12R0.234 COCCCCSCCNC(=O)N 62a_200000034859_100000730899 [0,1,0,0,0,0|3,0,0]=4 7936 B12R0.234 COCCCCSCCOC(=O)C 62a_100000730899_100009814007 [0,1,0,0,0,0|3,0,0]=4 7937 B12R0.234 COCCCCSCCOC(=O)C 62a_100009814007_100000730899 [0,1,0,0,0,0|3,0,0]=4 7938 B12R0.234 COCCCCSCCOC(=O)N 62a_100000730899_200011214921 [0,1,0,0,0,0|3,0,0]=4 7939 B12R0.234 COCCCCSCCOC(=O)N 62a_200011214921_100000730899 [0,1,0,0,0,0|3,0,0]=4 7940 B12R0.234 COCCCNCCCCC(=O)C 34a_100150723488_100009817362 [0,1,0,0,0,0|2,0,0]=3 7941 B12R0.234 COCCCNCCCCC(=O)N 34a_100000696515_100000740836 [0,1,0,0,0,0|2,0,0]=3 7942 B12R0.234 COCCCNCCCCC(C)C 34a_100150723488_100011216152 [0,1,0,0,0,0|3,0,0]=4 7943 B12R0.234 COCCCNCCCNC(=O)C 34a_100000736810_100000740836 [0,1,0,0,0,0|3,0,0]=4 7944 B12R0.234 COCCCNCCCOC(=O)C 34a_100150723488_100000042594 [0,1,0,0,0,0|3,0,0]=4 7945 B12R0.234 COCCCNCCCSC(=O)C 34a_100150723488_100000038929 [0,1,0,0,0,0|3,0,0]=4 7946 B12R0.234 COCCCNCCOCC(=O)N 34a_100150723488_100000076697 [0,1,0,0,0,0|3,0,0]=4 7947 B12R0.234 COCCCNCCOCC(=O)O 269956a_100000700818_100000740836 [0,1,0,0,0,0|3,0,0]=4 7948 B12R0.234 COCCCOCCCCC(=O)C 34a_100000740835_100009817362 [0,1,0,0,0,0|2,0,0]=3 7949 B12R0.234 COCCCOCCCCC(=O)N 34a_100012022536_100000740836 [0,1,0,0,0,0|2,0,0]=3 7950 B12R0.234 COCCCOCCCCC(=O)N 7a_100012022536_100000740836 [0,1,0,0,0,0|2,0,0]=3 7951 B12R0.234 COCCCOCCCCC(C)C 34a_100000740835_100011216152 [0,1,0,0,0,0|3,0,0]=4 7952 B12R0.234 COCCCOCCCCC(C)C 34a_100011214890_100000740836 [0,1,0,0,0,0|3,0,0]=4 7953 B12R0.234 COCCCOCCCCC(C)C 7a_100011214890_100000740836 [0,1,0,0,0,0|3,0,0]=4 7954 B12R0.234 COCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000740836 [0,1,0,0,0,0|3,0,0]=4 7955 B12R0.234 COCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000740836 [0,1,0,0,0,0|3,0,0]=4 7956 B12R0.234 COCCCOCCCNC(=O)C 34a_100000752032_100000740836 [0,1,0,0,0,0|3,0,0]=4 7957 B12R0.234 COCCCOCCCOC(=O)C 34a_100000740835_100000042594 [0,1,0,0,0,0|3,0,0]=4 7958 B12R0.234 COCCCOCCCSC(=O)C 34a_100000740835_100000038929 [0,1,0,0,0,0|3,0,0]=4 7959 B12R0.234 COCCCOCCOCC(=O)N 34a_100000740835_100000076697 [0,1,0,0,0,0|3,0,0]=4 7960 B12R0.234 COCCCSCCCCC(=O)C 62a_100000709357_100000735457 [0,1,0,0,0,0|2,0,0]=3 7961 B12R0.234 COCCCSCCCCC(=O)C 62a_100000735457_100000709357 [0,1,0,0,0,0|2,0,0]=3 7962 B12R0.234 COCCCSCCCCC(C)C 62a_100000709357_100011216152 [0,1,0,0,0,0|3,0,0]=4 7963 B12R0.234 COCCCSCCCCC(C)C 62a_100011216152_100000709357 [0,1,0,0,0,0|3,0,0]=4 7964 B12R0.234 COCCCSCCCOC(=O)C 62a_100000042594_100000709357 [0,1,0,0,0,0|3,0,0]=4 7965 B12R0.234 COCCCSCCCOC(=O)C 62a_100000709357_100000042594 [0,1,0,0,0,0|3,0,0]=4 7966 B12R0.234 COCCCSCCCSC(=O)C 62a_100000038929_100000709357 [0,1,0,0,0,0|3,0,0]=4 7967 B12R0.234 COCCCSCCCSC(=O)C 62a_100000709357_100000038929 [0,1,0,0,0,0|3,0,0]=4 7968 B12R0.234 COCCCSCCOCC(=O)N 62a_100000076697_100000709357 [0,1,0,0,0,0|3,0,0]=4 7969 B12R0.234 COCCCSCCOCC(=O)N 62a_100000709357_100000076697 [0,1,0,0,0,0|3,0,0]=4 7970 B12R0.234 COCCNCCCCCC(=O)N 2230a_100000209980_100009817443 [0,1,0,0,0,0|2,0,0]=3 7971 B12R0.234 COCCNCCCCCC(C)C 2230a_100000209980_100000210682 [0,1,0,0,0,0|3,0,0]=4 7972 B12R0.234 COCCNCCCCCC(C)C 2230a_100011290863_100011201679 [0,1,0,0,0,0|3,0,0]=4 7973 B12R0.234 COCCNCCCCCC(C)C 34a_100011290863_100011201679 [0,1,0,0,0,0|3,0,0]=4 7974 B12R0.234 COCCNCCCCNC(=O)C 2230a_200011368371_100011201679 [0,1,0,0,0,0|3,0,0]=4 7975 B12R0.234 COCCNCCCCNC(=O)C 34a_200011368371_100011201679 [0,1,0,0,0,0|3,0,0]=4 7976 B12R0.234 COCCNCCCCSC(=O)C 2230a_100000209980_200010402107 [0,1,0,0,0,0|3,0,0]=4 7977 B12R0.234 COCCOCCCCCC(=O)N 34a_100000123541_100011201679 [0,1,0,0,0,0|2,0,0]=3 7978 B12R0.234 COCCOCCCCCC(=O)N 34a_100000210237_100009817443 [0,1,0,0,0,0|2,0,0]=3 7979 B12R0.234 COCCOCCCCCC(=O)N 7a_100000123541_100000233755 [0,1,0,0,0,0|2,0,0]=3 7980 B12R0.234 COCCOCCCCCC(=O)[O-] 7a_100102619762_100000233755 [0,1,0,0,0,0|2,0,0]=3 7981 B12R0.234 COCCOCCCCCC(C)C 34a_100000210237_100000210682 [0,1,0,0,0,0|3,0,0]=4 7982 B12R0.234 COCCOCCCCCC(C)C 34a_100011995859_100011201679 [0,1,0,0,0,0|3,0,0]=4 7983 B12R0.234 COCCOCCCCCC(C)C 7a_100011995859_100000233755 [0,1,0,0,0,0|3,0,0]=4 7984 B12R0.234 COCCOCCCCOC(=O)C 34a_100000073216_100011201679 [0,1,0,0,0,0|3,0,0]=4 7985 B12R0.234 COCCOCCCCOC(=O)C 34a_100000210237_100000033659 [0,1,0,0,0,0|3,0,0]=4 7986 B12R0.234 COCCOCCCCOC(=O)C 7a_100000073216_100000233755 [0,1,0,0,0,0|3,0,0]=4 7987 B12R0.234 COCCOCCCCSC(=O)C 34a_100000210237_200010402107 [0,1,0,0,0,0|3,0,0]=4 7988 B12R0.234 COCCOCCCNCC(=O)N 2230a_100000206027_100000747473 [0,1,0,0,0,0|3,0,0]=4 7989 B12R0.234 COCCOCCCNCC(=O)N 2230a_100000711301_100011216529 [0,1,0,0,0,0|3,0,0]=4 7990 B12R0.234 COCCOCCCNCC(=O)N 34a_100000206027_100000187820 [0,1,0,0,0,0|3,0,0]=4 7991 B12R0.234 COCCOCCCNCC(=O)O 269956a_100016091260_100011216529 [0,1,0,0,0,0|3,0,0]=4 7992 B12R0.234 COCCOCCCNCC(=O)[O-] 34a_100000206027_100020667443 [0,1,0,0,0,0|3,0,0]=4 7993 B12R0.234 COCCOCCCOCC(=O)C 34a_100000211253_100011216529 [0,1,0,0,0,0|3,0,0]=4 7994 B12R0.234 COCCOCCCSCC(=O)N 62a_100000747473_100011216529 [0,1,0,0,0,0|3,0,0]=4 7995 B12R0.234 COCCOCCCSCC(=O)N 62a_100011216529_100000747473 [0,1,0,0,0,0|3,0,0]=4 7996 B12R0.234 COCCOCCCSCC(=O)[O-] 62a_100011216529_100020667443 [0,1,0,0,0,0|3,0,0]=4 7997 B12R0.234 COCCOCCCSCC(=O)[O-] 62a_100020667443_100011216529 [0,1,0,0,0,0|3,0,0]=4 7998 B12R0.234 COCCOCCNCCC(=O)N 2230a_100000745349_100000744528 [0,1,0,0,0,0|3,0,0]=4 7999 B12R0.234 COCCOCCNCCC(=O)N 34a_100000745349_100000731001 [0,1,0,0,0,0|3,0,0]=4 8000 B12R0.234 COCCOCCOCCC(=O)C 1458a_100000070787_100013367474 [0,1,0,0,0,0|3,0,0]=4 8001 B12R0.234 COCCOCCOCCC(=O)C 1458a_100012278103_200000210301 [0,1,0,0,0,0|3,0,0]=4 8002 B12R0.234 COCCOCCOCCC(=O)C 34a_100000759926_100000695917 [0,1,0,0,0,0|3,0,0]=4 8003 B12R0.234 COCCOCCOCCC(=O)C 7a_100000759926_100000695917 [0,1,0,0,0,0|3,0,0]=4 8004 B12R0.234 COCCOCCOCCC(=O)C 7a_100011215163_100000053229 [0,1,0,0,0,0|3,0,0]=4 8005 B12R0.234 COCCOCCOCCC(=O)N 34a_100000757172_100000695917 [0,1,0,0,0,0|3,0,0]=4 8006 B12R0.234 COCCOCCOCCC(=O)N 34a_100011215163_100000731001 [0,1,0,0,0,0|3,0,0]=4 8007 B12R0.234 COCCOCCOCCC(=O)N 7a_100000757172_100000695917 [0,1,0,0,0,0|3,0,0]=4 8008 B12R0.234 COCCOCCOCCC(=O)N 7a_100011215163_100000744528 [0,1,0,0,0,0|3,0,0]=4 8009 B12R0.234 COCCOCCOCCC(=O)[13CH3] 1458a_100012278103_200025704644 [0,1,0,0,0,0|3,0,0]=4 8010 B12R0.234 COCCOCCSCCC(=O)C 62a_100000053229_100000695917 [0,1,0,0,0,0|3,0,0]=4 8011 B12R0.234 COCCOCCSCCC(=O)C 62a_100000695917_100000053229 [0,1,0,0,0,0|3,0,0]=4 8012 B12R0.234 COCCOCCSCCC(=O)N 62a_100000695917_100000744528 [0,1,0,0,0,0|3,0,0]=4 8013 B12R0.234 COCCOCCSCCC(=O)N 62a_100000744528_100000695917 [0,1,0,0,0,0|3,0,0]=4 8014 B12R0.234 COCCOCSCCCC(=O)C 62a_100000231047_100011215641 [0,1,0,0,0,0|3,0,0]=4 8015 B12R0.234 COCCOCSCCCC(=O)C 62a_100011215641_100000231047 [0,1,0,0,0,0|3,0,0]=4 8016 B12R0.234 COCCOCSCCCC(=O)N 62a_100000231047_100102525003 [0,1,0,0,0,0|3,0,0]=4 8017 B12R0.234 COCCOCSCCCC(=O)N 62a_100102525003_100000231047 [0,1,0,0,0,0|3,0,0]=4 8018 B12R0.234 COCCSCCCCCC(=O)N 62a_100000233755_100009817443 [0,1,0,0,0,0|2,0,0]=3 8019 B12R0.234 COCCSCCCCCC(=O)N 62a_100009817443_100000233755 [0,1,0,0,0,0|2,0,0]=3 8020 B12R0.234 COCCSCCCCCC(C)C 62a_100000210682_100000233755 [0,1,0,0,0,0|3,0,0]=4 8021 B12R0.234 COCCSCCCCCC(C)C 62a_100000233755_100000210682 [0,1,0,0,0,0|3,0,0]=4 8022 B12R0.234 COCCSCCCCOC(=O)C 62a_100000033659_100000233755 [0,1,0,0,0,0|3,0,0]=4 8023 B12R0.234 COCCSCCCCOC(=O)C 62a_100000233755_100000033659 [0,1,0,0,0,0|3,0,0]=4 8024 B12R0.234 COCCSCCCCSC(=O)C 62a_100000233755_200010402107 [0,1,0,0,0,0|3,0,0]=4 8025 B12R0.234 COCCSCCCCSC(=O)C 62a_200010402107_100000233755 [0,1,0,0,0,0|3,0,0]=4 8026 B12R0.234 COCNCCCCCCC(C)C 2230a_100000211014_100000766300 [0,1,0,0,0,0|3,0,0]=4 8027 B12R0.234 COCNCCCCCNC(=O)C 2230a_200012022750_100000766300 [0,1,0,0,0,0|3,0,0]=4 8028 B12R0.234 COCSCCCCCOC(=O)C 62a_100000033007_100000766300 [0,1,0,0,0,0|3,0,0]=4 8029 B12R0.234 COCSCCCCCOC(=O)C 62a_100000766300_100000033007 [0,1,0,0,0,0|3,0,0]=4 8030 B12R0.234 CS(=O)CCCNCCCCC=O 2230a_200000753449_100000139335 [0,1,0,0,0,0|2,0,0]=3 8031 B12R0.234 CS(=O)CCCNCCCCCF 2230a_200000753449_100000729378 [0,1,0,0,0,0|3,0,0]=4 8032 B12R0.234 CS(=O)CCCNCCCCCO 2230a_200000753449_100000746330 [0,1,0,0,0,0|3,0,0]=4 8033 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [0,1,0,0,0,0|2,0,0]=3 8034 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [0,1,0,0,0,0|2,0,0]=3 8035 B12R0.234 CSCCCCOCCCC(=O)N 34a_100011217163_100102525003 [0,1,0,0,0,0|2,0,0]=3 8036 B12R0.234 CSCCCCOCCCC(=O)N 7a_100011217163_100102525003 [0,1,0,0,0,0|2,0,0]=3 8037 B12R0.234 CSCCCCOCCCC(C)C 34a_100011217163_100011214892 [0,1,0,0,0,0|3,0,0]=4 8038 B12R0.234 CSCCCCOCCCC(C)C 7a_100011217163_100011214892 [0,1,0,0,0,0|3,0,0]=4 8039 B12R0.234 CSCCCCOCCCC(C)O 34a_100011217163_200000718107 [0,1,0,0,0,0|3,0,0]=4 8040 B12R0.234 CSCCCCOCCCC(C)O 7a_100011217163_200000718107 [0,1,0,0,0,0|3,0,0]=4 8041 B12R0.234 CSCCCCOCCNC(=O)C 7a_100011217163_100000189650 [0,1,0,0,0,0|3,0,0]=4 8042 B12R0.234 CSCCCCOCCNC(=O)N 7a_100011217163_200000034859 [0,1,0,0,0,0|3,0,0]=4 8043 B12R0.234 CSCCCCOCCOC(=O)C 34a_100011217163_100009814007 [0,1,0,0,0,0|3,0,0]=4 8044 B12R0.234 CSCCCCOCCOC(=O)C 7a_100011217163_100009814007 [0,1,0,0,0,0|3,0,0]=4 8045 B12R0.234 CSCCCCOCCOC(=O)N 34a_100011217163_200011214921 [0,1,0,0,0,0|3,0,0]=4 8046 B12R0.234 CSCCCCOCCOC(=O)N 7a_100011217163_200011214921 [0,1,0,0,0,0|3,0,0]=4 8047 B12R0.234 CSCCCNCCCCC(C)C 2230a_100000749238_100011216152 [0,1,0,0,0,0|3,0,0]=4 8048 B12R0.234 CSCCCNCCCSC(=O)C 2230a_100000749238_100000038929 [0,1,0,0,0,0|3,0,0]=4 8049 B12R0.234 CSCCCNCCOCC(=O)N 2230a_100000749238_100000076697 [0,1,0,0,0,0|3,0,0]=4 8050 B12R0.234 CSCCCOCCCCC(=O)C 34a_100000690336_100009817362 [0,1,0,0,0,0|2,0,0]=3 8051 B12R0.234 CSCCCOCCCCC(=O)C 7a_100000690336_100000735457 [0,1,0,0,0,0|2,0,0]=3 8052 B12R0.234 CSCCCOCCCCC(C)C 34a_100000690336_100011216152 [0,1,0,0,0,0|3,0,0]=4 8053 B12R0.234 CSCCCOCCCCC(C)C 7a_100000690336_100011216152 [0,1,0,0,0,0|3,0,0]=4 8054 B12R0.234 CSCCCOCCCOC(=O)C 34a_100000690336_100000042594 [0,1,0,0,0,0|3,0,0]=4 8055 B12R0.234 CSCCCOCCCOC(=O)C 7a_100000690336_100000042594 [0,1,0,0,0,0|3,0,0]=4 8056 B12R0.234 CSCCCOCCCSC(=O)C 34a_100000690336_100000038929 [0,1,0,0,0,0|3,0,0]=4 8057 B12R0.234 CSCCCOCCCSC(=O)C 7a_100000690336_100000038929 [0,1,0,0,0,0|3,0,0]=4 8058 B12R0.234 CSCCCOCCOCC(=O)N 34a_100000690336_100000076697 [0,1,0,0,0,0|3,0,0]=4 8059 B12R0.234 CSCCCOCCOCC(=O)N 7a_100000690336_100000076697 [0,1,0,0,0,0|3,0,0]=4 8060 B12R0.234 CSCCNCCCCCC(=O)N 2230a_100020590264_100009817443 [0,1,0,0,0,0|2,0,0]=3 8061 B12R0.234 CSCCNCCCCCC(C)C 2230a_100011290863_100000751147 [0,1,0,0,0,0|3,0,0]=4 8062 B12R0.234 CSCCNCCCCCC(C)C 2230a_100020590264_100000210682 [0,1,0,0,0,0|3,0,0]=4 8063 B12R0.234 CSCCNCCCCCC(C)C 34a_100011290863_100000212216 [0,1,0,0,0,0|3,0,0]=4 8064 B12R0.234 CSCCNCCCCNC(=O)C 2230a_200011368371_100000751147 [0,1,0,0,0,0|3,0,0]=4 8065 B12R0.234 CSCCNCCCCNC(=O)C 34a_200011368371_100000212216 [0,1,0,0,0,0|3,0,0]=4 8066 B12R0.234 CSCCNCCCCSC(=O)C 2230a_100020590264_200010402107 [0,1,0,0,0,0|3,0,0]=4 8067 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000123541_100000212216 [0,1,0,0,0,0|2,0,0]=3 8068 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000230434_100009817443 [0,1,0,0,0,0|2,0,0]=3 8069 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000123541_100000212216 [0,1,0,0,0,0|2,0,0]=3 8070 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000230434_100009817443 [0,1,0,0,0,0|2,0,0]=3 8071 B12R0.234 CSCCOCCCCCC(=O)[O-] 7a_100102619762_100000212216 [0,1,0,0,0,0|2,0,0]=3 8072 B12R0.234 CSCCOCCCCCC(C)C 34a_100000230434_100000210682 [0,1,0,0,0,0|3,0,0]=4 8073 B12R0.234 CSCCOCCCCCC(C)C 34a_100011995859_100000212216 [0,1,0,0,0,0|3,0,0]=4 8074 B12R0.234 CSCCOCCCCCC(C)C 7a_100000230434_100000210682 [0,1,0,0,0,0|3,0,0]=4 8075 B12R0.234 CSCCOCCCCCC(C)C 7a_100011995859_100000212216 [0,1,0,0,0,0|3,0,0]=4 8076 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000073216_100000212216 [0,1,0,0,0,0|3,0,0]=4 8077 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000230434_100000033659 [0,1,0,0,0,0|3,0,0]=4 8078 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000073216_100000212216 [0,1,0,0,0,0|3,0,0]=4 8079 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000230434_100000033659 [0,1,0,0,0,0|3,0,0]=4 8080 B12R0.234 CSCCOCCCCSC(=O)C 34a_100000230434_200010402107 [0,1,0,0,0,0|3,0,0]=4 8081 B12R0.234 CSCCOCCCCSC(=O)C 7a_100000230434_200010402107 [0,1,0,0,0,0|3,0,0]=4 8082 B12R0.234 CSCCSCCCCCC(=O)N 62a_100000212216_100009817443 [0,1,0,0,0,0|2,0,0]=3 8083 B12R0.234 CSCCSCCCCCC(=O)N 62a_100009817443_100000751147 [0,1,0,0,0,0|2,0,0]=3 8084 B12R0.234 CSCCSCCCCCC(C)C 62a_100000210682_100000751147 [0,1,0,0,0,0|3,0,0]=4 8085 B12R0.234 CSCCSCCCCCC(C)C 62a_100000212216_100000210682 [0,1,0,0,0,0|3,0,0]=4 8086 B12R0.234 CSCCSCCCCOC(=O)C 62a_100000033659_100000751147 [0,1,0,0,0,0|3,0,0]=4 8087 B12R0.234 CSCCSCCCCOC(=O)C 62a_100000212216_100000033659 [0,1,0,0,0,0|3,0,0]=4 8088 B12R0.234 CSCCSCCCCSC(=O)C 62a_100000212216_200010402107 [0,1,0,0,0,0|3,0,0]=4 8089 B12R0.234 CSCCSCCCCSC(=O)C 62a_200010402107_100000751147 [0,1,0,0,0,0|3,0,0]=4 8090 B12R0.234 CSCNCCCCCCC(C)C 2230a_100000211014_100011218213 [0,1,0,0,0,0|3,0,0]=4 8091 B12R0.234 CSCNCCCCCCC(C)C 34a_100000211014_100011218213 [0,1,0,0,0,0|3,0,0]=4 8092 B12R0.234 CSCNCCCCCNC(=O)C 2230a_200012022750_100011218213 [0,1,0,0,0,0|3,0,0]=4 8093 B12R0.234 CSCNCCCCCNC(=O)C 34a_200012022750_100011218213 [0,1,0,0,0,0|3,0,0]=4 8094 B12R0.234 CSCSCCCCCOC(=O)C 62a_100000033007_100011218213 [0,1,0,0,0,0|3,0,0]=4 8095 B12R0.234 CSCSCCCCCOC(=O)C 62a_100011218213_100000033007 [0,1,0,0,0,0|3,0,0]=4 8096 B12R0.234 C[C@@H](Cl)COCCCCCCCO 34a_100016084084_100000760002 [0,1,0,0,0,0|1,0,2]=4 8097 B12R0.234 C[C@@H](N)CCOCCCCCCF 34a_100000706166_100015922095 [0,1,0,0,0,0|2,0,1]=4 8098 B12R0.234 C[C@@H](N)CCOCCCCCCO 34a_100000706166_100000766143 [0,1,0,0,0,0|1,0,2]=4 8099 B12R0.234 C[C@@H](N)COCCCCCCCO 34a_100000737577_100000760002 [0,1,0,0,0,0|1,0,2]=4 8100 B12R0.234 C[C@@H](O)CNCCCCCCCO 2230a_100011996573_100009817552 [0,1,0,0,0,0|1,0,2]=4 8101 B12R0.234 C[C@@H](O)CNCCCCCCCO 34a_100011996573_100009817552 [0,1,0,0,0,0|1,0,2]=4 8102 B12R0.234 C[C@@H](O)COCCCCCCCBr 34a_100000760002_100009817552 [0,1,0,0,0,0|2,0,1]=4 8103 B12R0.234 C[C@@H](O)COCCCCCCCBr 7a_100000760002_100009817552 [0,1,0,0,0,0|2,0,1]=4 8104 B12R0.234 C[C@@H](O)COCCCCCCCN 34a_100011996573_100009817552 [0,1,0,0,0,0|2,0,1]=4 8105 B12R0.234 C[C@@H](O)CSCCCCCCC#N 62a_100009813337_100009817552 [0,1,0,0,0,0|2,0,1]=4 8106 B12R0.234 C[C@@H](O)CSCCCCCCC#N 62a_100009817552_100009813337 [0,1,0,0,0,0|2,0,1]=4 8107 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100000760002_100009817552 [0,1,0,0,0,0|1,0,2]=4 8108 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100009817552_100000760002 [0,1,0,0,0,0|1,0,2]=4 8109 B12R0.234 N#CCCCCCCNCC(=O)N 2230a_100000711301_100009813337 [0,1,0,0,0,0|2,0,1]=4 8110 B12R0.234 N#CCCCCCCNCC(=O)O 269956a_100016091260_100009813337 [0,1,0,0,0,0|2,0,1]=4 8111 B12R0.234 N#CCCCCCCSCC(=O)N 62a_100000747473_100009813337 [0,1,0,0,0,0|2,0,1]=4 8112 B12R0.234 N#CCCCCCCSCC(=O)N 62a_100009813337_100000747473 [0,1,0,0,0,0|2,0,1]=4 8113 B12R0.234 N#CCCCCCCSCC(=O)[O-] 62a_100009813337_100020667443 [0,1,0,0,0,0|2,0,1]=4 8114 B12R0.234 N#CCCCCCCSCC(=O)[O-] 62a_100020667443_100009813337 [0,1,0,0,0,0|2,0,1]=4 8115 B12R0.234 N#CCCCCCOCCC(=O)N 7a_100000757172_100009813376 [0,1,0,0,0,0|2,0,1]=4 8116 B12R0.234 N#CCCCCCSCCC(=O)N 62a_100000744528_100009813376 [0,1,0,0,0,0|2,0,1]=4 8117 B12R0.234 N#CCCCCCSCCC(=O)N 62a_100009813376_100000744528 [0,1,0,0,0,0|2,0,1]=4 8118 B12R0.234 N#CCCCCSCCCC(=O)N 62a_100011219923_100102525003 [0,1,0,0,0,0|2,0,1]=4 8119 B12R0.234 N#CCCCCSCCCC(=O)N 62a_100102525003_100000211819 [0,1,0,0,0,0|2,0,1]=4 8120 B12R0.234 N#CCCCOCCCCC(=O)N 7a_100012022536_100000687738 [0,1,0,0,0,0|2,0,1]=4 8121 B12R0.234 N#CCCOCCCCCC(=O)N 7a_100000123541_100000184422 [0,1,0,0,0,0|2,0,1]=4 8122 B12R0.234 N#CCCOCCCCCC(=O)[O-] 7a_100102619762_100000184422 [0,1,0,0,0,0|2,0,1]=4 8123 B12R0.234 N#CCCSCCCCCC(=O)N 62a_100009817443_100011215226 [0,1,0,0,0,0|2,0,1]=4 8124 B12R0.234 N#CCCSCCCCCC(=O)N 62a_100011215226_100009817443 [0,1,0,0,0,0|2,0,1]=4 8125 B12R0.234 NC(=O)CCCCCNCCCF 2230a_100015189416_100009817443 [0,1,0,0,0,0|2,0,0]=3 8126 B12R0.234 NC(=O)CCCCCNCCCF 34a_100015189416_100009817443 [0,1,0,0,0,0|2,0,0]=3 8127 B12R0.234 NC(=O)CCCCCOCCCBr 34a_100011217188_100009817443 [0,1,0,0,0,0|2,0,0]=3 8128 B12R0.234 NC(=O)CCCCCOCCCCl 34a_100000230001_100009817443 [0,1,0,0,0,0|2,0,0]=3 8129 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000123541_100011934791 [0,1,0,0,0,0|2,0,0]=3 8130 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000759539_100009817443 [0,1,0,0,0,0|2,0,0]=3 8131 B12R0.234 NC(=O)CCCCCOCCCF 7a_100000123541_100011934791 [0,1,0,0,0,0|2,0,0]=3 8132 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [0,1,0,0,0,0|2,0,0]=3 8133 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [0,1,0,0,0,0|2,0,0]=3 8134 B12R0.234 NC(=O)CCCCCSCCCF 62a_100009817443_100011934791 [0,1,0,0,0,0|2,0,0]=3 8135 B12R0.234 NC(=O)CCCCCSCCCF 62a_100011934791_100009817443 [0,1,0,0,0,0|2,0,0]=3 8136 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [0,1,0,0,0,0|2,0,0]=3 8137 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [0,1,0,0,0,0|2,0,0]=3 8138 B12R0.234 NC(=O)CCCCNCCCCF 34a_100000696515_100000729493 [0,1,0,0,0,0|2,0,0]=3 8139 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [0,1,0,0,0,0|2,0,0]=3 8140 B12R0.234 NC(=O)CCCCOCCCC=O 7a_100012022536_200011292268 [0,1,0,0,0,0|2,0,1]=4 8141 B12R0.234 NC(=O)CCCCOCCCCF 34a_100012022536_100000729493 [0,1,0,0,0,0|2,0,0]=3 8142 B12R0.234 NC(=O)CCCCOCCCCF 7a_100012022536_100000729493 [0,1,0,0,0,0|2,0,0]=3 8143 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [0,1,0,0,0,0|2,0,0]=3 8144 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [0,1,0,0,0,0|2,0,0]=3 8145 B12R0.234 NC(=O)CCCNCCCCCF 34a_100000739312_100000729378 [0,1,0,0,0,0|2,0,0]=3 8146 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [0,1,0,0,0,0|2,0,0]=3 8147 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [0,1,0,0,0,0|2,0,0]=3 8148 B12R0.234 NC(=O)CCCNCCOCCO 34a_100000211614_100102525003 [0,1,0,0,0,0|3,0,0]=4 8149 B12R0.234 NC(=O)CCCNCCOCCO 34a_100000739312_100000692535 [0,1,0,0,0,0|3,0,0]=4 8150 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [0,1,0,0,0,0|2,0,0]=3 8151 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [0,1,0,0,0,0|2,0,0]=3 8152 B12R0.234 NC(=O)CCCOCCCCCCl 34a_100000746330_100102525003 [0,1,0,0,0,0|2,0,0]=3 8153 B12R0.234 NC(=O)CCCOCCCCCCl 7a_100000746330_100102525003 [0,1,0,0,0,0|2,0,0]=3 8154 B12R0.234 NC(=O)CCCOCCCCCI 34a_200012148887_100102525003 [0,1,0,0,0,0|2,0,0]=3 8155 B12R0.234 NC(=O)CCCOCCCCCI 7a_200012148887_100102525003 [0,1,0,0,0,0|2,0,0]=3 8156 B12R0.234 NC(=O)CCCOCCOCCBr 34a_100000692535_100102525003 [0,1,0,0,0,0|3,0,0]=4 8157 B12R0.234 NC(=O)CCCOCCOCCBr 7a_100000692535_100102525003 [0,1,0,0,0,0|3,0,0]=4 8158 B12R0.234 NC(=O)CCCOCCOCCCl 34a_100011215305_100102525003 [0,1,0,0,0,0|3,0,0]=4 8159 B12R0.234 NC(=O)CCCOCCOCCCl 7a_100011215305_100102525003 [0,1,0,0,0,0|3,0,0]=4 8160 B12R0.234 NC(=O)CCCOCCOCCF 34a_200015357709_100102525003 [0,1,0,0,0,0|3,0,0]=4 8161 B12R0.234 NC(=O)CCCOCCOCCF 7a_200015357709_100102525003 [0,1,0,0,0,0|3,0,0]=4 8162 B12R0.234 NC(=O)CCCOCCOCCI 34a_100012149058_100102525003 [0,1,0,0,0,0|3,0,0]=4 8163 B12R0.234 NC(=O)CCCOCCOCCI 7a_100012149058_100102525003 [0,1,0,0,0,0|3,0,0]=4 8164 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100000139335_100102525003 [0,1,0,0,0,0|2,0,1]=4 8165 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100102525003_100000139335 [0,1,0,0,0,0|2,0,1]=4 8166 B12R0.234 NC(=O)CCCSCCCCCF 62a_100000729378_100102525003 [0,1,0,0,0,0|2,0,0]=3 8167 B12R0.234 NC(=O)CCCSCCCCCF 62a_100102525003_100000729378 [0,1,0,0,0,0|2,0,0]=3 8168 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [0,1,0,0,0,0|2,0,0]=3 8169 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [0,1,0,0,0,0|2,0,0]=3 8170 B12R0.234 NC(=O)CCCSCCOCCO 62a_100011215305_100102525003 [0,1,0,0,0,0|3,0,0]=4 8171 B12R0.234 NC(=O)CCCSCCOCCO 62a_100102525003_100011215305 [0,1,0,0,0,0|3,0,0]=4 8172 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [0,1,0,0,0,0|2,0,0]=3 8173 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [0,1,0,0,0,0|2,0,0]=3 8174 B12R0.234 NC(=O)CCOCCCCCC=O 7a_100000757172_100000139337 [0,1,0,0,0,0|2,0,1]=4 8175 B12R0.234 NC(=O)CCOCCCCCCBr 34a_100011215345_100000731001 [0,1,0,0,0,0|2,0,0]=3 8176 B12R0.234 NC(=O)CCOCCCCCCBr 7a_100011215345_100000744528 [0,1,0,0,0,0|2,0,0]=3 8177 B12R0.234 NC(=O)CCOCCCCCCCl 34a_100000766143_100000731001 [0,1,0,0,0,0|2,0,0]=3 8178 B12R0.234 NC(=O)CCOCCCCCCCl 7a_100000766143_100000744528 [0,1,0,0,0,0|2,0,0]=3 8179 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000732779_100000731001 [0,1,0,0,0,0|2,0,0]=3 8180 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000757172_100015922095 [0,1,0,0,0,0|2,0,0]=3 8181 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000732779_100000744528 [0,1,0,0,0,0|2,0,0]=3 8182 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000757172_100015922095 [0,1,0,0,0,0|2,0,0]=3 8183 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [0,1,0,0,0,0|2,0,0]=3 8184 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [0,1,0,0,0,0|2,0,0]=3 8185 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000139337_100000744528 [0,1,0,0,0,0|2,0,1]=4 8186 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000744528_100000139337 [0,1,0,0,0,0|2,0,1]=4 8187 B12R0.234 NC(=O)CCSCCCCCCF 62a_100000744528_100015922095 [0,1,0,0,0,0|2,0,0]=3 8188 B12R0.234 NC(=O)CCSCCCCCCF 62a_100015922095_100000744528 [0,1,0,0,0,0|2,0,0]=3 8189 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [0,1,0,0,0,0|2,0,0]=3 8190 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [0,1,0,0,0,0|2,0,0]=3 8191 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [0,1,0,0,0,0|2,0,0]=3 8192 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [0,1,0,0,0,0|2,0,0]=3 8193 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [0,1,0,0,0,0|2,0,0]=3 8194 B12R0.234 NC(=O)CNCCCOCCCO 2230a_100011310245_100000747473 [0,1,0,0,0,0|3,0,0]=4 8195 B12R0.234 NC(=O)CNCCCOCCCO 34a_100011310245_100000187820 [0,1,0,0,0,0|3,0,0]=4 8196 B12R0.234 NC(=O)COCCCCCCCBr 34a_100000760002_100000187820 [0,1,0,0,0,0|2,0,0]=3 8197 B12R0.234 NC(=O)COCCCCCCCBr 7a_100000760002_100000187820 [0,1,0,0,0,0|2,0,0]=3 8198 B12R0.234 NC(=O)COCCNCCCCO 2230a_100000750430_100000076697 [0,1,0,0,0,0|3,0,0]=4 8199 B12R0.234 NC(=O)COCCNCCCCO 34a_100000750430_100000076697 [0,1,0,0,0,0|3,0,0]=4 8200 B12R0.234 NC(=O)COCCOCCCCBr 34a_100011216708_100000076697 [0,1,0,0,0,0|3,0,0]=4 8201 B12R0.234 NC(=O)COCCOCCCCCl 34a_100000210776_100000076697 [0,1,0,0,0,0|3,0,0]=4 8202 B12R0.234 NC(=O)COCCOCCCCCl 7a_100000210776_100000076697 [0,1,0,0,0,0|3,0,0]=4 8203 B12R0.234 NC(=O)COCCOCCCCF 34a_100011995726_100000076697 [0,1,0,0,0,0|3,0,0]=4 8204 B12R0.234 NC(=O)COCCOCCCCF 7a_100011995726_100000076697 [0,1,0,0,0,0|3,0,0]=4 8205 B12R0.234 NC(=O)COCCOCCCCI 34a_200012148704_100000076697 [0,1,0,0,0,0|3,0,0]=4 8206 B12R0.234 NC(=O)COCCSCCCCF 62a_100000076697_100000729493 [0,1,0,0,0,0|3,0,0]=4 8207 B12R0.234 NC(=O)COCCSCCCCF 62a_100000729493_100000076697 [0,1,0,0,0,0|3,0,0]=4 8208 B12R0.234 NC(=O)COCCSCCCCO 62a_100000076697_100000210776 [0,1,0,0,0,0|3,0,0]=4 8209 B12R0.234 NC(=O)COCCSCCCCO 62a_100000210776_100000076697 [0,1,0,0,0,0|3,0,0]=4 8210 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [0,1,0,0,0,0|2,0,0]=3 8211 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [0,1,0,0,0,0|2,0,0]=3 8212 B12R0.234 NC(=O)NCCNCCCCCF 34a_100020590234_100000729378 [0,1,0,0,0,0|3,0,0]=4 8213 B12R0.234 NC(=O)NCCNCCCCCO 2230a_100000762737_200000034859 [0,1,0,0,0,0|3,0,0]=4 8214 B12R0.234 NC(=O)NCCNCCCCCO 34a_100020590234_100000746330 [0,1,0,0,0,0|3,0,0]=4 8215 B12R0.234 NC(=O)NCCOCCCCCBr 7a_100000746331_200000034859 [0,1,0,0,0,0|3,0,0]=4 8216 B12R0.234 NC(=O)NCCOCCCCCCl 7a_100000746330_200000034859 [0,1,0,0,0,0|3,0,0]=4 8217 B12R0.234 NC(=O)NCCOCCCCCF 34a_100000181757_100000729378 [0,1,0,0,0,0|3,0,0]=4 8218 B12R0.234 NC(=O)NCCOCCCCCI 7a_200012148887_200000034859 [0,1,0,0,0,0|3,0,0]=4 8219 B12R0.234 NC(=O)NCCOCCCCCO 34a_100000181757_100000746330 [0,1,0,0,0,0|3,0,0]=4 8220 B12R0.234 NC(=O)NCCSCCCCCF 62a_100000729378_200000034859 [0,1,0,0,0,0|3,0,0]=4 8221 B12R0.234 NC(=O)NCCSCCCCCF 62a_200000034859_100000729378 [0,1,0,0,0,0|3,0,0]=4 8222 B12R0.234 NC(=O)NCCSCCCCCO 62a_100000746330_200000034859 [0,1,0,0,0,0|3,0,0]=4 8223 B12R0.234 NC(=O)NCCSCCCCCO 62a_200000034859_100000746330 [0,1,0,0,0,0|3,0,0]=4 8224 B12R0.234 NC(=O)OCCNCCCCCO 34a_100000762737_200011214921 [0,1,0,0,0,0|3,0,0]=4 8225 B12R0.234 NC(=O)OCCOCCCCCBr 34a_100000746331_200011214921 [0,1,0,0,0,0|3,0,0]=4 8226 B12R0.234 NC(=O)OCCOCCCCCBr 7a_100000746331_200011214921 [0,1,0,0,0,0|3,0,0]=4 8227 B12R0.234 NC(=O)OCCOCCCCCCl 34a_100000746330_200011214921 [0,1,0,0,0,0|3,0,0]=4 8228 B12R0.234 NC(=O)OCCOCCCCCCl 7a_100000746330_200011214921 [0,1,0,0,0,0|3,0,0]=4 8229 B12R0.234 NC(=O)OCCOCCCCCF 7a_100000766696_100000729378 [0,1,0,0,0,0|3,0,0]=4 8230 B12R0.234 NC(=O)OCCOCCCCCI 34a_200012148887_200011214921 [0,1,0,0,0,0|3,0,0]=4 8231 B12R0.234 NC(=O)OCCOCCCCCI 7a_200012148887_200011214921 [0,1,0,0,0,0|3,0,0]=4 8232 B12R0.234 NC(=O)OCCOCCCCCO 7a_100000766696_100000746330 [0,1,0,0,0,0|3,0,0]=4 8233 B12R0.234 NC(=O)OCCSCCCCCF 62a_100000729378_200011214921 [0,1,0,0,0,0|3,0,0]=4 8234 B12R0.234 NC(=O)OCCSCCCCCF 62a_200011214921_100000729378 [0,1,0,0,0,0|3,0,0]=4 8235 B12R0.234 NC(=O)OCCSCCCCCO 62a_100000746330_200011214921 [0,1,0,0,0,0|3,0,0]=4 8236 B12R0.234 NC(=O)OCCSCCCCCO 62a_200011214921_100000746330 [0,1,0,0,0,0|3,0,0]=4 8237 B12R0.234 NCCCCCCCOCC(=O)N 34a_100011996573_100000187820 [0,1,0,0,0,0|2,0,0]=3 8238 B12R0.234 NCCCCCCCOCC(=O)[O-] 34a_100011996573_100020667443 [0,1,0,0,0,0|2,0,0]=3 8239 B12R0.234 NCCCCCCCOC[N+](=O)[O-] 34a_100011996573_100000761209 [0,1,0,0,0,0|3,0,0]=4 8240 B12R0.234 NCCCCCCOCCC(=O)N 34a_100000686447_100000731001 [0,1,0,0,0,0|2,0,0]=3 8241 B12R0.234 NCCCCCOCCCC(=O)N 34a_100000762737_100102525003 [0,1,0,0,0,0|2,0,0]=3 8242 B12R0.234 NCCCCCOCCOC(=O)N 34a_100000762737_200011214921 [0,1,0,0,0,0|3,0,0]=4 8243 B12R0.234 NCCCCOCCOCC(=O)N 34a_100000750430_100000076697 [0,1,0,0,0,0|3,0,0]=4 8244 B12R0.234 NCCCOCCCCCC(=O)N 34a_100000182051_100009817443 [0,1,0,0,0,0|2,0,0]=3 8245 B12R0.234 NCCCOCCCOCC(=O)N 34a_100011310245_100000187820 [0,1,0,0,0,0|3,0,0]=4 8246 B12R0.234 NCCCOCCCOCC(=O)[O-] 34a_100011310245_100020667443 [0,1,0,0,0,0|3,0,0]=4 8247 B12R0.234 NCCOCCOCCCC(=O)N 34a_100000211614_100102525003 [0,1,0,0,0,0|3,0,0]=4 8248 B12R0.234 NOCCOCCCCCC(=O)N 34a_100000700252_100009817443 [0,1,0,0,0,0|3,0,0]=4 8249 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [0,1,0,0,0,0|2,0,0]=3 8250 B12R0.234 O=C(O)COCCNCCCCF 269956a_100000700818_100000729493 [0,1,0,0,0,0|3,0,0]=4 8251 B12R0.234 O=C(O)COCCNCCCCO 269956a_100000700818_100000210776 [0,1,0,0,0,0|3,0,0]=4 8252 B12R0.234 O=C(O)CONCCCCCCF 269956a_100000106656_100015922095 [0,1,0,0,0,0|3,0,0]=4 8253 B12R0.234 O=C(O)CONCCCCCCO 269956a_100000106656_100000766143 [0,1,0,0,0,0|3,0,0]=4 8254 B12R0.234 O=C([O-])CCCCCOCCCF 7a_100102619762_100011934791 [0,1,0,0,0,0|2,0,0]=3 8255 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [0,1,0,0,0,0|2,0,0]=3 8256 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [0,1,0,0,0,0|2,0,0]=3 8257 B12R0.234 O=C([O-])CNCCCOCCCO 34a_100011310245_100020667443 [0,1,0,0,0,0|3,0,0]=4 8258 B12R0.234 O=C([O-])COCCCCCCCBr 34a_100000760002_100020667443 [0,1,0,0,0,0|2,0,0]=3 8259 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [0,1,0,0,0,0|2,0,0]=3 8260 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [0,1,0,0,0,0|2,0,0]=3 8261 B12R0.234 O=CCCCOCCCC[N+](=O)[O-] 7a_200015379883_200011292268 [0,1,0,0,0,0|3,0,0]=4 8262 B12R0.234 O=CCCCOCCOCC(F)F 7a_100000704375_200011292268 [0,1,0,0,0,0|3,0,0]=4 8263 B12R0.234 O=CCCCSCCCCB(O)O 62a_200009817182_200011292268 [0,1,0,0,0,0|3,0,0]=4 8264 B12R0.234 O=CCCCSCCCCB(O)O 62a_200011292268_200009817182 [0,1,0,0,0,0|3,0,0]=4 8265 B12R0.234 O=CCCCSCCOCC(F)F 62a_200011292268_200012177212 [0,1,0,0,0,0|3,0,0]=4 8266 B12R0.234 O=CCCCSCCOCC(F)F 62a_200012177212_200011292268 [0,1,0,0,0,0|3,0,0]=4 8267 B12R0.234 O=CCSCCCCCCB(O)O 62a_100009817187_200015260668 [0,1,0,0,0,0|3,0,0]=4 8268 B12R0.234 O=CCSCCCCCCB(O)O 62a_200015260668_100009817187 [0,1,0,0,0,0|3,0,0]=4 8269 B12R0.234 O=[N+]([O-])CCCCOCCCCF 34a_200015379883_100000729493 [0,1,0,0,0,0|3,0,0]=4 8270 B12R0.234 O=[N+]([O-])CCCCOCCCCF 7a_200015379883_100000729493 [0,1,0,0,0,0|3,0,0]=4 8271 B12R0.234 O=[N+]([O-])CCCCOCCCCO 34a_200015379883_100011216708 [0,1,0,0,0,0|3,0,0]=4 8272 B12R0.234 O=[N+]([O-])CCCCOCCCCO 7a_200015379883_100000210776 [0,1,0,0,0,0|3,0,0]=4 8273 B12R0.234 O=[N+]([O-])CCCOCCCCCF 34a_200000037920_100000729378 [0,1,0,0,0,0|3,0,0]=4 8274 B12R0.234 O=[N+]([O-])CCCOCCCCCO 34a_200000037920_100000746330 [0,1,0,0,0,0|3,0,0]=4 8275 B12R0.234 O=[N+]([O-])CNCCCCCCCO 34a_100011996573_100000761209 [0,1,0,0,0,0|3,0,0]=4 8276 B12R0.234 O=[N+]([O-])COCCCCCCCBr 34a_100000760002_100000761209 [0,1,0,0,0,0|3,0,0]=4 8277 B12R0.234 O=[N+]([O-])CSCCCCCCCO 62a_100000760002_100000761209 [0,1,0,0,0,0|3,0,0]=4 8278 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [0,1,0,0,0,0|1,0,0]=2 8279 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [0,1,0,0,0,0|1,0,2]=4 8280 B12R0.248 C#CC(C)NCCCCCCCC 2230a_100000707721_100000210759 [0,1,0,0,0,0|2,0,1]=4 8281 B12R0.248 C#CC(C)NCCCCCCCC 34a_100000229939_200000035995 [0,1,0,0,0,0|2,0,1]=4 8282 B12R0.248 C#CC(C)NCCCCCCCC 34a_100000707721_100000210759 [0,1,0,0,0,0|2,0,1]=4 8283 B12R0.248 C#CC(C)OCCCCCCCC 34a_100000210232_200000035995 [0,1,0,0,0,0|2,0,1]=4 8284 B12R0.248 C#CC(C)SCCCCCCCC 62a_200000035995_100000210317 [0,1,0,0,0,0|2,0,1]=4 8285 B12R0.248 C#CC(O)CCCCCOCCC 34a_100000210258_200010408556 [0,1,0,0,0,0|2,0,1]=4 8286 B12R0.248 C#CC(O)CCCCCSCC=O 62a_200010408556_200015260668 [0,1,0,0,0,0|1,0,2]=4 8287 B12R0.248 C#CC(O)CCCCCSCC=O 62a_200015260668_200010408556 [0,1,0,0,0,0|1,0,2]=4 8288 B12R0.248 C#CC(O)CCCCCSCCC 62a_100000210303_200010408556 [0,1,0,0,0,0|2,0,1]=4 8289 B12R0.248 C#CC(O)CCCCCSCCC 62a_200010408556_100000210303 [0,1,0,0,0,0|2,0,1]=4 8290 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000087357_100000210202 [0,1,0,0,0,0|1,0,2]=4 8291 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000210414_100153394163 [0,1,0,0,0,0|1,0,2]=4 8292 B12R0.248 C#CCCCCCCCN(C)CC 2230a_100000225621_100153394163 [0,1,0,0,0,0|2,0,1]=4 8293 B12R0.248 C#CCCCCCCCN(C)CC 269982a_100000225621_100153394163 [0,1,0,0,0,0|2,0,1]=4 8294 B12R0.248 C#CCCCCCCNC(C)CC 2230a_100000209981_100012276617 [0,1,0,0,0,0|2,0,1]=4 8295 B12R0.248 C#CCCCCCCOC(C)CC 34a_100011217361_100011215416 [0,1,0,0,0,0|2,0,1]=4 8296 B12R0.248 C#CCCCCCCOC(C)CC 7a_100000210228_100012276617 [0,1,0,0,0,0|2,0,1]=4 8297 B12R0.248 C#CCCCCCCOC(C)CC 7a_100011217361_100000758301 [0,1,0,0,0,0|2,0,1]=4 8298 B12R0.248 C#CCCCCCCSC(C)CC 62a_100000758301_100012276617 [0,1,0,0,0,0|2,0,1]=4 8299 B12R0.248 C#CCCCCCCSC(C)CC 62a_100012276617_100000758301 [0,1,0,0,0,0|2,0,1]=4 8300 B12R0.248 C#CCCCCCNCC(C)CC 2230a_100020588543_100012094781 [0,1,0,0,0,0|2,0,1]=4 8301 B12R0.248 C#CCCCCCNCC(O)CC 2230a_100011218483_100012094781 [0,1,0,0,0,0|2,0,1]=4 8302 B12R0.248 C#CCCCCCOCC(C)CC 34a_100000766912_100000748023 [0,1,0,0,0,0|2,0,1]=4 8303 B12R0.248 C#CCCCCCOCC(C)CC 7a_100000766912_100000748023 [0,1,0,0,0,0|2,0,1]=4 8304 B12R0.248 C#CCCCCCOCC(O)CC 34a_100000766912_100011218378 [0,1,0,0,0,0|2,0,1]=4 8305 B12R0.248 C#CCCCCCOCC(O)CC 7a_100000766912_100011218378 [0,1,0,0,0,0|2,0,1]=4 8306 B12R0.248 C#CCCCCCOC[C@@H](C)CC 34a_100000766912_100009816398 [0,1,0,0,0,0|2,0,1]=4 8307 B12R0.248 C#CCCCCCOC[C@@H](C)CC 7a_100000766912_100009816398 [0,1,0,0,0,0|2,0,1]=4 8308 B12R0.248 C#CCCCCCOC[C@@H](C)CC 7a_100009816381_100012094781 [0,1,0,0,0,0|2,0,1]=4 8309 B12R0.248 C#CCCCCCSCC(C)CC 62a_100000748023_100012094781 [0,1,0,0,0,0|2,0,1]=4 8310 B12R0.248 C#CCCCCCSCC(C)CC 62a_100012094781_100000748023 [0,1,0,0,0,0|2,0,1]=4 8311 B12R0.248 C#CCCCCCSCC(O)CC 62a_100011218378_100012094781 [0,1,0,0,0,0|2,0,1]=4 8312 B12R0.248 C#CCCCCCSCC(O)CC 62a_100012094781_100011218378 [0,1,0,0,0,0|2,0,1]=4 8313 B12R0.248 C#CCCCCCSC[C@@H](C)CC 62a_100009816398_100012094781 [0,1,0,0,0,0|2,0,1]=4 8314 B12R0.248 C#CCCCCCSC[C@@H](C)CC 62a_100012094781_100009816398 [0,1,0,0,0,0|2,0,1]=4 8315 B12R0.248 C#CCCCCNCCC(C)CC 2230a_100020591266_100010269958 [0,1,0,0,0,0|2,0,1]=4 8316 B12R0.248 C#CCCCCOCCC(C)CC 7a_100011215188_100010269958 [0,1,0,0,0,0|2,0,1]=4 8317 B12R0.248 C#CCCCOCCCC(C)CC 7a_100011216074_100011215417 [0,1,0,0,0,0|2,0,1]=4 8318 B12R0.248 C#CCOCCCCCC(C)CC 7a_200000035636_100000038162 [0,1,0,0,0,0|2,0,1]=4 8319 B12R0.248 C#C[C@@H](C)OCCCCCCCC 34a_100009815206_100000210759 [0,1,0,0,0,0|2,0,1]=4 8320 B12R0.248 C#C[C@@H](C)OCCCCCCCC 7a_100009815206_100000210759 [0,1,0,0,0,0|2,0,1]=4 8321 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,1,0,0,0,0|1,0,1]=3 8322 B12R0.248 C=CC(=O)CCCCCCCCO 1458a_100000185746_100000033203 [0,1,0,0,0,0|2,0,1]=4 8323 B12R0.248 C=CC(=O)NCCCCCCCC 1626a_100000229939_100000185746 [0,1,0,0,0,0|2,0,1]=4 8324 B12R0.248 C=CC(=O)NCCCCCCCC 240690a_100000229939_200121576911 [0,1,0,0,0,0|2,0,1]=4 8325 B12R0.248 C=CC(C)COCCCCCC=O 7a_100011215527_100000139337 [0,1,0,0,0,0|1,0,2]=4 8326 B12R0.248 C=CC(C)COCCCCCCC 34a_100011215527_100000210614 [0,1,0,0,0,0|2,0,0]=3 8327 B12R0.248 C=CC(C)COCCCCCCC 7a_100011215527_100000210614 [0,1,0,0,0,0|2,0,0]=3 8328 B12R0.248 C=CC(C)COCCCCCCF 34a_100011215527_100015922095 [0,1,0,0,0,0|3,0,0]=4 8329 B12R0.248 C=CC(C)COCCCCCCF 7a_100011215527_100015922095 [0,1,0,0,0,0|3,0,0]=4 8330 B12R0.248 C=CC(C)COCCCCCCO 34a_100011215527_100000766143 [0,1,0,0,0,0|3,0,0]=4 8331 B12R0.248 C=CC(C)COCCCCCCO 7a_100011215527_100000766143 [0,1,0,0,0,0|3,0,0]=4 8332 B12R0.248 C=CC(C)COCCOCCCC 34a_100011215527_100000743108 [0,1,0,0,0,0|3,0,0]=4 8333 B12R0.248 C=CC(C)COCCOCCCC 7a_100011215527_100000743108 [0,1,0,0,0,0|3,0,0]=4 8334 B12R0.248 C=CC(C)OCCCCCCCC 34a_100000695699_100000210759 [0,1,0,0,0,0|2,0,0]=3 8335 B12R0.248 C=CC(C)OCCCCCCCO 34a_100000695699_100000760002 [0,1,0,0,0,0|3,0,0]=4 8336 B12R0.248 C=CC(C)OCCCCCCOC 34a_100000695699_100011998445 [0,1,0,0,0,0|3,0,0]=4 8337 B12R0.248 C=CC(C)SCCCCCCCC 62a_100011215867_100000210317 [0,1,0,0,0,0|2,0,0]=3 8338 B12R0.248 C=CC(C)SCCCCCCCO 62a_100011215867_100000760002 [0,1,0,0,0,0|3,0,0]=4 8339 B12R0.248 C=CC(C)SCCCCCCOC 62a_100011215867_100011998445 [0,1,0,0,0,0|3,0,0]=4 8340 B12R0.248 C=CC(O)CNCCCCCCC 2230a_100000229938_100000730141 [0,1,0,0,0,0|2,0,0]=3 8341 B12R0.248 C=CC(O)CNCCCCCCO 2230a_100000686447_100000730141 [0,1,0,0,0,0|3,0,0]=4 8342 B12R0.248 C=CC(O)CNCCCCCCO 34a_100000686447_100000730141 [0,1,0,0,0,0|3,0,0]=4 8343 B12R0.248 C=CC(O)CNCCCCCOC 2230a_100000747528_100000730141 [0,1,0,0,0,0|3,0,0]=4 8344 B12R0.248 C=CC(O)CNCCCCCOC 34a_100000747528_100000730141 [0,1,0,0,0,0|3,0,0]=4 8345 B12R0.248 C=CC(O)CNCCCOCCC 2230a_100011217757_100000730141 [0,1,0,0,0,0|3,0,0]=4 8346 B12R0.248 C=CC(O)CNCCCOCCC 34a_100011217757_100000730141 [0,1,0,0,0,0|3,0,0]=4 8347 B12R0.248 C=CC(O)CNCCSCCCC 2230a_100025743550_100000730141 [0,1,0,0,0,0|3,0,0]=4 8348 B12R0.248 C=CC(O)COCCCCCCBr 34a_100011215345_100000730141 [0,1,0,0,0,0|3,0,0]=4 8349 B12R0.248 C=CC(O)COCCCCCCBr 7a_100011215345_100000730141 [0,1,0,0,0,0|3,0,0]=4 8350 B12R0.248 C=CC(O)COCCCCCCC 34a_100000210272_100000730141 [0,1,0,0,0,0|2,0,0]=3 8351 B12R0.248 C=CC(O)COCCCCCCC 7a_100000210272_100000730141 [0,1,0,0,0,0|2,0,0]=3 8352 B12R0.248 C=CC(O)COCCCCCCCl 34a_100000766143_100000730141 [0,1,0,0,0,0|3,0,0]=4 8353 B12R0.248 C=CC(O)COCCCCCCCl 7a_100000766143_100000730141 [0,1,0,0,0,0|3,0,0]=4 8354 B12R0.248 C=CC(O)COCCCCCCF 34a_100000732779_100000730141 [0,1,0,0,0,0|3,0,0]=4 8355 B12R0.248 C=CC(O)COCCCCCCF 7a_100000732779_100000730141 [0,1,0,0,0,0|3,0,0]=4 8356 B12R0.248 C=CC(O)COCCCCCCN 34a_100000686447_100000730141 [0,1,0,0,0,0|3,0,0]=4 8357 B12R0.248 C=CC(O)COCCCCCNC 34a_100000722520_100000730141 [0,1,0,0,0,0|3,0,0]=4 8358 B12R0.248 C=CC(O)COCCOCCCC 34a_100000210238_100000730141 [0,1,0,0,0,0|3,0,0]=4 8359 B12R0.248 C=CC(O)COCCOCCCC 7a_100000210238_100000730141 [0,1,0,0,0,0|3,0,0]=4 8360 B12R0.248 C=CC(O)COCCSCCCC 34a_200000230436_100000730141 [0,1,0,0,0,0|3,0,0]=4 8361 B12R0.248 C=CC(O)COCCSCCCC 7a_200000230436_100000730141 [0,1,0,0,0,0|3,0,0]=4 8362 B12R0.248 C=CC(O)CSCCCCCC=O 62a_100000139337_100000730141 [0,1,0,0,0,0|1,0,2]=4 8363 B12R0.248 C=CC(O)CSCCCCCC=O 62a_100000730141_100000139337 [0,1,0,0,0,0|1,0,2]=4 8364 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000210614_100000730141 [0,1,0,0,0,0|2,0,0]=3 8365 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000730141_100000210316 [0,1,0,0,0,0|2,0,0]=3 8366 B12R0.248 C=CC(O)CSCCCCCCF 62a_100000730141_100015922095 [0,1,0,0,0,0|3,0,0]=4 8367 B12R0.248 C=CC(O)CSCCCCCCF 62a_100015922095_100000730141 [0,1,0,0,0,0|3,0,0]=4 8368 B12R0.248 C=CC(O)CSCCCCCCO 62a_100000730141_100000766143 [0,1,0,0,0,0|3,0,0]=4 8369 B12R0.248 C=CC(O)CSCCCCCCO 62a_100000766143_100000730141 [0,1,0,0,0,0|3,0,0]=4 8370 B12R0.248 C=CC(O)CSCCOCCCC 62a_100000730141_100000743108 [0,1,0,0,0,0|3,0,0]=4 8371 B12R0.248 C=CC(O)CSCCOCCCC 62a_100000743108_100000730141 [0,1,0,0,0,0|3,0,0]=4 8372 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [0,1,0,0,0,0|1,0,1]=3 8373 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [0,1,0,0,0,0|1,0,1]=3 8374 B12R0.248 C=CCCCCCCCC(=O)CF 1458a_100011216160_100015361967 [0,1,0,0,0,0|2,0,1]=4 8375 B12R0.248 C=CCCCCCCCC(=O)CO 1458a_100000210174_100012355270 [0,1,0,0,0,0|2,0,1]=4 8376 B12R0.248 C=CCCCCCCCC(=O)NC 11a_106832991635_100011216160 [0,1,0,0,0,0|2,0,1]=4 8377 B12R0.248 C=CCCCCCCCC(=O)NC 1626a_100102657272_100011216160 [0,1,0,0,0,0|2,0,1]=4 8378 B12R0.248 C=CCCCCCCCC(=O)NC 240690a_100102657272_100011216160 [0,1,0,0,0,0|2,0,1]=4 8379 B12R0.248 C=CCCCCCCCC(=O)NC 527a_100102657272_100011216160 [0,1,0,0,0,0|2,0,1]=4 8380 B12R0.248 C=CCCCCCCCN(C)CC 2230a_100000225621_100012355270 [0,1,0,0,0,0|2,0,0]=3 8381 B12R0.248 C=CCCCCCCCN(C)CC 269982a_100000225621_100012355270 [0,1,0,0,0,0|2,0,0]=3 8382 B12R0.248 C=CCCCCCCNC(C)CC 2230a_100000209981_100011215473 [0,1,0,0,0,0|2,0,0]=3 8383 B12R0.248 C=CCCCCCCN[C@H](C)CO 2230a_100000737577_100011215473 [0,1,0,0,0,0|3,0,0]=4 8384 B12R0.248 C=CCCCCCCOC(C)CC 34a_200011216477_100011215416 [0,1,0,0,0,0|2,0,0]=3 8385 B12R0.248 C=CCCCCCCOC(C)CC 7a_100000210228_100011215473 [0,1,0,0,0,0|2,0,0]=3 8386 B12R0.248 C=CCCCCCCOC(C)CC 7a_200011216477_100000758301 [0,1,0,0,0,0|2,0,0]=3 8387 B12R0.248 C=CCCCCCCOC(C)CF 34a_100016041109_100011215473 [0,1,0,0,0,0|3,0,0]=4 8388 B12R0.248 C=CCCCCCCOC(C)CF 7a_100016041109_100011215473 [0,1,0,0,0,0|3,0,0]=4 8389 B12R0.248 C=CCCCCCCOC(C)CN 34a_100000210904_100011215473 [0,1,0,0,0,0|3,0,0]=4 8390 B12R0.248 C=CCCCCCCOC(C)CO 34a_200011216477_100012180447 [0,1,0,0,0,0|3,0,0]=4 8391 B12R0.248 C=CCCCCCCOC(C)CO 7a_200011216477_100012180447 [0,1,0,0,0,0|3,0,0]=4 8392 B12R0.248 C=CCCCCCCSC(C)CC 62a_100000758301_100011215473 [0,1,0,0,0,0|2,0,0]=3 8393 B12R0.248 C=CCCCCCCSC(C)CC 62a_100011215473_100000758301 [0,1,0,0,0,0|2,0,0]=3 8394 B12R0.248 C=CCCCCCCSC(C)CO 62a_100012180447_100011215473 [0,1,0,0,0,0|3,0,0]=4 8395 B12R0.248 C=CCCCCCCSC(C)OC 62a_100009879195_100011215473 [0,1,0,0,0,0|3,0,0]=4 8396 B12R0.248 C=CCCCCCCSC(C)OC 62a_100011215473_100009879195 [0,1,0,0,0,0|3,0,0]=4 8397 B12R0.248 C=CCCCCCCS[C@H](C)CO 62a_100011215473_100016084084 [0,1,0,0,0,0|3,0,0]=4 8398 B12R0.248 C=CCCCCCCS[C@H](C)CO 62a_100016084084_100011215473 [0,1,0,0,0,0|3,0,0]=4 8399 B12R0.248 C=CCCCCCNCC(C)CC 2230a_100020588543_100000700193 [0,1,0,0,0,0|2,0,0]=3 8400 B12R0.248 C=CCCCCCNCC(C)CO 34a_100000744482_100000700193 [0,1,0,0,0,0|3,0,0]=4 8401 B12R0.248 C=CCCCCCNCC(O)CC 2230a_100011218483_100000700193 [0,1,0,0,0,0|2,0,0]=3 8402 B12R0.248 C=CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000700193 [0,1,0,0,0,0|3,0,0]=4 8403 B12R0.248 C=CCCCCCNC[C@@H](F)CO 34a_100015665980_100000700193 [0,1,0,0,0,0|3,0,0]=4 8404 B12R0.248 C=CCCCCCNC[C@H](O)CO 2230a_100020644852_100000700193 [0,1,0,0,0,0|3,0,0]=4 8405 B12R0.248 C=CCCCCCOCC(=O)CC 34a_100000725409_100000700193 [0,1,0,0,0,0|2,0,1]=4 8406 B12R0.248 C=CCCCCCOCC(=O)CC 7a_100011216702_100000747405 [0,1,0,0,0,0|2,0,1]=4 8407 B12R0.248 C=CCCCCCOCC(C)CC 34a_100011216702_100000748023 [0,1,0,0,0,0|2,0,0]=3 8408 B12R0.248 C=CCCCCCOCC(C)CC 7a_100011216702_100000748023 [0,1,0,0,0,0|2,0,0]=3 8409 B12R0.248 C=CCCCCCOCC(C)CN 34a_100000744482_100000700193 [0,1,0,0,0,0|3,0,0]=4 8410 B12R0.248 C=CCCCCCOCC(C)OC 34a_100000690652_100000700193 [0,1,0,0,0,0|3,0,0]=4 8411 B12R0.248 C=CCCCCCOCC(Cl)CCl 34a_100000033668_100000700193 [0,1,0,0,0,0|3,0,0]=4 8412 B12R0.248 C=CCCCCCOCC(O)CC 34a_100011216702_100011218378 [0,1,0,0,0,0|2,0,0]=3 8413 B12R0.248 C=CCCCCCOCC(O)CC 7a_100011216702_100011218378 [0,1,0,0,0,0|2,0,0]=3 8414 B12R0.248 C=CCCCCCOCC(O)CO 34a_100011216702_100011219619 [0,1,0,0,0,0|3,0,0]=4 8415 B12R0.248 C=CCCCCCOCC(O)CO 7a_100011216702_100011219619 [0,1,0,0,0,0|3,0,0]=4 8416 B12R0.248 C=CCCCCCOC[C@@H](C)CC 34a_100011216702_100009816398 [0,1,0,0,0,0|2,0,0]=3 8417 B12R0.248 C=CCCCCCOC[C@@H](C)CC 7a_100009816381_100000700193 [0,1,0,0,0,0|2,0,0]=3 8418 B12R0.248 C=CCCCCCOC[C@@H](C)CC 7a_100011216702_100009816398 [0,1,0,0,0,0|2,0,0]=3 8419 B12R0.248 C=CCCCCCOC[C@@H](C)CO 34a_100011216702_100000059175 [0,1,0,0,0,0|3,0,0]=4 8420 B12R0.248 C=CCCCCCOC[C@@H](C)CO 7a_100011216702_100000059175 [0,1,0,0,0,0|3,0,0]=4 8421 B12R0.248 C=CCCCCCOC[C@@H](O)CF 34a_100011216702_100015614560 [0,1,0,0,0,0|3,0,0]=4 8422 B12R0.248 C=CCCCCCOC[C@@H](O)CF 7a_100011216702_100015614560 [0,1,0,0,0,0|3,0,0]=4 8423 B12R0.248 C=CCCCCCOC[C@@H](O)CO 34a_100011216702_100009815848 [0,1,0,0,0,0|3,0,0]=4 8424 B12R0.248 C=CCCCCCOC[C@@H](O)CO 7a_100011216702_100009815848 [0,1,0,0,0,0|3,0,0]=4 8425 B12R0.248 C=CCCCCCOC[C@H](F)CN 34a_100015665980_100000700193 [0,1,0,0,0,0|3,0,0]=4 8426 B12R0.248 C=CCCCCCSCC(=O)CC 62a_100000700193_100000747405 [0,1,0,0,0,0|2,0,1]=4 8427 B12R0.248 C=CCCCCCSCC(=O)CC 62a_100000747405_100000700193 [0,1,0,0,0,0|2,0,1]=4 8428 B12R0.248 C=CCCCCCSCC(C)CC 62a_100000700193_100000748023 [0,1,0,0,0,0|2,0,0]=3 8429 B12R0.248 C=CCCCCCSCC(C)CC 62a_100000748023_100000700193 [0,1,0,0,0,0|2,0,0]=3 8430 B12R0.248 C=CCCCCCSCC(O)CC 62a_100000700193_100011218378 [0,1,0,0,0,0|2,0,0]=3 8431 B12R0.248 C=CCCCCCSCC(O)CC 62a_100011218378_100000700193 [0,1,0,0,0,0|2,0,0]=3 8432 B12R0.248 C=CCCCCCSCC(O)CO 62a_100000700193_100011219619 [0,1,0,0,0,0|3,0,0]=4 8433 B12R0.248 C=CCCCCCSCC(O)CO 62a_100011219619_100000700193 [0,1,0,0,0,0|3,0,0]=4 8434 B12R0.248 C=CCCCCCSC[C@@H](C)CC 62a_100000700193_100009816398 [0,1,0,0,0,0|2,0,0]=3 8435 B12R0.248 C=CCCCCCSC[C@@H](C)CC 62a_100009816398_100000700193 [0,1,0,0,0,0|2,0,0]=3 8436 B12R0.248 C=CCCCCCSC[C@@H](C)CO 62a_100000059175_100000700193 [0,1,0,0,0,0|3,0,0]=4 8437 B12R0.248 C=CCCCCCSC[C@@H](C)CO 62a_100000700193_100000059175 [0,1,0,0,0,0|3,0,0]=4 8438 B12R0.248 C=CCCCCCSC[C@@H](O)CF 62a_100000700193_100015614560 [0,1,0,0,0,0|3,0,0]=4 8439 B12R0.248 C=CCCCCCSC[C@@H](O)CF 62a_100015614560_100000700193 [0,1,0,0,0,0|3,0,0]=4 8440 B12R0.248 C=CCCCCCSC[C@@H](O)CO 62a_100000700193_100009815848 [0,1,0,0,0,0|3,0,0]=4 8441 B12R0.248 C=CCCCCCSC[C@@H](O)CO 62a_100009815848_100000700193 [0,1,0,0,0,0|3,0,0]=4 8442 B12R0.248 C=CCCCCNCCC(C)CC 2230a_100020591266_100011215482 [0,1,0,0,0,0|2,0,0]=3 8443 B12R0.248 C=CCCCCNCCC(C)CO 2230a_106354213184_100011215482 [0,1,0,0,0,0|3,0,0]=4 8444 B12R0.248 C=CCCCCNCCC(C)CO 34a_106354213184_100011215482 [0,1,0,0,0,0|3,0,0]=4 8445 B12R0.248 C=CCCCCOCCC(C)CC 7a_100011215188_100011215482 [0,1,0,0,0,0|2,0,0]=3 8446 B12R0.248 C=CCCCCOCCC(C)OC 7a_100000764861_100011215482 [0,1,0,0,0,0|3,0,0]=4 8447 B12R0.248 C=CCCCNCCCN(C)CC 2230a_100000700776_100015186262 [0,1,0,0,0,0|3,0,0]=4 8448 B12R0.248 C=CCCCOCCCC(C)CC 7a_100011216074_100000757094 [0,1,0,0,0,0|2,0,0]=3 8449 B12R0.248 C=CCCCOCCCN(C)CC 7a_100000758997_100015186262 [0,1,0,0,0,0|3,0,0]=4 8450 B12R0.248 C=CCCCOCCC[C@@H](C)CN 34a_100160569302_100000757094 [0,1,0,0,0,0|3,0,0]=4 8451 B12R0.248 C=CCCCSCCCN(C)CC 62a_100011713584_100015186262 [0,1,0,0,0,0|3,0,0]=4 8452 B12R0.248 C=CCOCCCCCC(C)CC 7a_200000035636_100015514636 [0,1,0,0,0,0|2,0,0]=3 8453 B12R0.248 C=COCCCCOCC(C)CC 34a_100000031558_100000748023 [0,1,0,0,0,0|3,0,0]=4 8454 B12R0.248 C=COCCCCOCC(C)CC 7a_100000031558_100000748023 [0,1,0,0,0,0|3,0,0]=4 8455 B12R0.248 C=COCCCCOCC(O)CC 34a_100000031558_100011218378 [0,1,0,0,0,0|3,0,0]=4 8456 B12R0.248 C=COCCCCOCC(O)CC 7a_100000031558_100011218378 [0,1,0,0,0,0|3,0,0]=4 8457 B12R0.248 C=COCCCCOC[C@@H](C)CC 34a_100000031558_100009816398 [0,1,0,0,0,0|3,0,0]=4 8458 B12R0.248 C=COCCCCOC[C@@H](C)CC 7a_100000031558_100009816398 [0,1,0,0,0,0|3,0,0]=4 8459 B12R0.248 C=COCCOCCCC(C)CC 7a_100011216074_100000039644 [0,1,0,0,0,0|3,0,0]=4 8460 B12R0.248 C=C[C@H](N)COCCCCCCC 34a_100016989147_100000210614 [0,1,0,0,0,0|2,0,0]=3 8461 B12R0.248 C=C[C@H](N)COCCCCCCF 34a_100016989147_100015922095 [0,1,0,0,0,0|3,0,0]=4 8462 B12R0.248 C=C[C@H](N)COCCCCCCO 34a_100016989147_100000766143 [0,1,0,0,0,0|3,0,0]=4 8463 B12R0.248 C=C[C@H](N)COCCOCCCC 34a_100016989147_100000743108 [0,1,0,0,0,0|3,0,0]=4 8464 B12R0.248 CC(CO)CCNCCCCC=O 2230a_106354213184_100000139335 [0,1,0,0,0,0|2,0,0]=3 8465 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [0,1,0,0,0,0|0,0,3]=4 8466 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000139337_100000747405 [0,1,0,0,0,0|1,0,1]=3 8467 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000747405_100000139337 [0,1,0,0,0,0|1,0,1]=3 8468 B12R0.248 CCC(=O)NCCOCCCC=O 7a_200000158885_200011292268 [0,1,0,0,0,0|2,0,1]=4 8469 B12R0.248 CCC(=O)OCCOCCCC=O 7a_200000031056_200011292268 [0,1,0,0,0,0|2,0,1]=4 8470 B12R0.248 CCC(C)CCCCCOCC#N 7a_200000035636_100011215382 [0,1,0,0,0,0|2,0,1]=4 8471 B12R0.248 CCC(C)CCCCCOCC=O 7a_200000035636_200015260668 [0,1,0,0,0,0|1,0,0]=2 8472 B12R0.248 CCC(C)CCCCCOCCF 7a_200000035636_100011217306 [0,1,0,0,0,0|2,0,1]=4 8473 B12R0.248 CCC(C)CCCCCOCCO 7a_200000035636_100000211926 [0,1,0,0,0,0|1,0,2]=4 8474 B12R0.248 CCC(C)CCCOCCCC#N 7a_100011216074_100000687738 [0,1,0,0,0,0|2,0,1]=4 8475 B12R0.248 CCC(C)CCCOCCCC=O 7a_100011216074_200011292268 [0,1,0,0,0,0|1,0,0]=2 8476 B12R0.248 CCC(C)CCCOCCCCF 7a_100011216074_100000729493 [0,1,0,0,0,0|2,0,1]=4 8477 B12R0.248 CCC(C)CCCOCCCCO 7a_100011216074_100000210776 [0,1,0,0,0,0|1,0,2]=4 8478 B12R0.248 CCC(C)CCCOCCCOC 7a_100011216074_100000740836 [0,1,0,0,0,0|3,0,0]=4 8479 B12R0.248 CCC(C)CCNCCCCC#N 2230a_100020591266_100000211819 [0,1,0,0,0,0|2,0,1]=4 8480 B12R0.248 CCC(C)CCNCCCCC=O 2230a_100020591266_100000139335 [0,1,0,0,0,0|1,0,0]=2 8481 B12R0.248 CCC(C)CCNCCCCCF 2230a_100020591266_100000729378 [0,1,0,0,0,0|2,0,1]=4 8482 B12R0.248 CCC(C)CCNCCCCCO 2230a_100020591266_100000746330 [0,1,0,0,0,0|1,0,2]=4 8483 B12R0.248 CCC(C)CCNCCCCOC 2230a_100020591266_100000730899 [0,1,0,0,0,0|3,0,0]=4 8484 B12R0.248 CCC(C)CCOCCCCC#N 7a_100011215188_100000211819 [0,1,0,0,0,0|2,0,1]=4 8485 B12R0.248 CCC(C)CCOCCCCC=O 7a_100011215188_100000139335 [0,1,0,0,0,0|1,0,0]=2 8486 B12R0.248 CCC(C)CCOCCCCCF 7a_100011215188_100000729378 [0,1,0,0,0,0|2,0,1]=4 8487 B12R0.248 CCC(C)CCOCCCCCO 7a_100011215188_100000746330 [0,1,0,0,0,0|1,0,2]=4 8488 B12R0.248 CCC(C)CCOCCCCOC 7a_100011215188_100000730899 [0,1,0,0,0,0|3,0,0]=4 8489 B12R0.248 CCC(C)CNCCCCCC#N 2230a_100020588543_100009813376 [0,1,0,0,0,0|2,0,1]=4 8490 B12R0.248 CCC(C)CNCCCCCC#N 270004a_100000061152_100000243153 [0,1,0,0,0,0|2,0,1]=4 8491 B12R0.248 CCC(C)CNCCCCCC=O 2230a_100020588543_100000139337 [0,1,0,0,0,0|1,0,0]=2 8492 B12R0.248 CCC(C)CNCCCCCCF 2230a_100020588543_100015922095 [0,1,0,0,0,0|2,0,1]=4 8493 B12R0.248 CCC(C)CNCCCCCCO 2230a_100000686447_100000748023 [0,1,0,0,0,0|1,0,2]=4 8494 B12R0.248 CCC(C)CNCCCCCCO 2230a_100020588543_100000766143 [0,1,0,0,0,0|1,0,2]=4 8495 B12R0.248 CCC(C)CNCCCCCCO 270004a_100000686447_100000243153 [0,1,0,0,0,0|1,0,2]=4 8496 B12R0.248 CCC(C)CNCCCCCCO 34a_100000686447_100000748023 [0,1,0,0,0,0|1,0,2]=4 8497 B12R0.248 CCC(C)CNCCCCCOC 2230a_100000747528_100000748023 [0,1,0,0,0,0|3,0,0]=4 8498 B12R0.248 CCC(C)CNCCCCCOC 270004a_100000747528_100000243153 [0,1,0,0,0,0|3,0,0]=4 8499 B12R0.248 CCC(C)CNCCCCCOC 34a_100000747528_100000748023 [0,1,0,0,0,0|3,0,0]=4 8500 B12R0.248 CCC(C)COCCCCCCBr 34a_100011215345_100000748023 [0,1,0,0,0,0|2,0,1]=4 8501 B12R0.248 CCC(C)COCCCCCCBr 7a_100011215345_100000748023 [0,1,0,0,0,0|2,0,1]=4 8502 B12R0.248 CCC(C)COCCCCCCCl 34a_100000766143_100000748023 [0,1,0,0,0,0|2,0,1]=4 8503 B12R0.248 CCC(C)COCCCCCCCl 7a_100000766143_100000748023 [0,1,0,0,0,0|2,0,1]=4 8504 B12R0.248 CCC(C)COCCCCCCF 34a_100000732779_100000748023 [0,1,0,0,0,0|2,0,1]=4 8505 B12R0.248 CCC(C)COCCCCCCF 7a_100000732779_100000748023 [0,1,0,0,0,0|2,0,1]=4 8506 B12R0.248 CCC(C)COCCCCCCN 34a_100000686447_100000748023 [0,1,0,0,0,0|2,0,1]=4 8507 B12R0.248 CCC(C)COCCCCCNC 34a_100000722520_100000748023 [0,1,0,0,0,0|3,0,0]=4 8508 B12R0.248 CCC(C)CSCCCCCC#N 62a_100000748023_100009813376 [0,1,0,0,0,0|2,0,1]=4 8509 B12R0.248 CCC(C)CSCCCCCC#N 62a_100009813376_100000748023 [0,1,0,0,0,0|2,0,1]=4 8510 B12R0.248 CCC(C)CSCCCCCC=O 62a_100000139337_100000748023 [0,1,0,0,0,0|1,0,0]=2 8511 B12R0.248 CCC(C)CSCCCCCC=O 62a_100000748023_100000139337 [0,1,0,0,0,0|1,0,0]=2 8512 B12R0.248 CCC(C)CSCCCCCCF 62a_100000748023_100015922095 [0,1,0,0,0,0|2,0,1]=4 8513 B12R0.248 CCC(C)CSCCCCCCF 62a_100015922095_100000748023 [0,1,0,0,0,0|2,0,1]=4 8514 B12R0.248 CCC(C)CSCCCCCCO 62a_100000748023_100000766143 [0,1,0,0,0,0|1,0,2]=4 8515 B12R0.248 CCC(C)CSCCCCCCO 62a_100000766143_100000748023 [0,1,0,0,0,0|1,0,2]=4 8516 B12R0.248 CCC(C)NCCCCCCC#N 2230a_100000209981_100009813337 [0,1,0,0,0,0|2,0,1]=4 8517 B12R0.248 CCC(C)NCCCCCCCO 2230a_100000209981_100000760002 [0,1,0,0,0,0|1,0,2]=4 8518 B12R0.248 CCC(C)NCCCCCCCO 2230a_100011996573_100000758301 [0,1,0,0,0,0|1,0,2]=4 8519 B12R0.248 CCC(C)NCCCCCCCO 34a_100011996573_100011215416 [0,1,0,0,0,0|1,0,2]=4 8520 B12R0.248 CCC(C)NCCCCCCOC 2230a_100000209981_100011998445 [0,1,0,0,0,0|3,0,0]=4 8521 B12R0.248 CCC(C)OCCCCCCC#N 7a_100000210228_100009813337 [0,1,0,0,0,0|2,0,1]=4 8522 B12R0.248 CCC(C)OCCCCCCCBr 34a_100000760002_100011215416 [0,1,0,0,0,0|2,0,1]=4 8523 B12R0.248 CCC(C)OCCCCCCCBr 7a_100000760002_100000758301 [0,1,0,0,0,0|2,0,1]=4 8524 B12R0.248 CCC(C)OCCCCCCCN 34a_100011996573_100011215416 [0,1,0,0,0,0|2,0,1]=4 8525 B12R0.248 CCC(C)OCCCCCCCO 7a_100000210228_100000760002 [0,1,0,0,0,0|1,0,2]=4 8526 B12R0.248 CCC(C)OCCCCCCOC 34a_200012092642_100011215416 [0,1,0,0,0,0|3,0,0]=4 8527 B12R0.248 CCC(C)OCCCCCCOC 7a_100000210228_100011998445 [0,1,0,0,0,0|3,0,0]=4 8528 B12R0.248 CCC(C)OCCCCCCOC 7a_200012092642_100000758301 [0,1,0,0,0,0|3,0,0]=4 8529 B12R0.248 CCC(C)SCCCCCCC#N 62a_100000758301_100009813337 [0,1,0,0,0,0|2,0,1]=4 8530 B12R0.248 CCC(C)SCCCCCCC#N 62a_100009813337_100000758301 [0,1,0,0,0,0|2,0,1]=4 8531 B12R0.248 CCC(C)SCCCCCCCO 62a_100000758301_100000760002 [0,1,0,0,0,0|1,0,2]=4 8532 B12R0.248 CCC(C)SCCCCCCCO 62a_100000760002_100000758301 [0,1,0,0,0,0|1,0,2]=4 8533 B12R0.248 CCC(C)SCCCCCCOC 62a_100000758301_100011998445 [0,1,0,0,0,0|3,0,0]=4 8534 B12R0.248 CCC(C)SCCCCCCOC 62a_100011998445_100000758301 [0,1,0,0,0,0|3,0,0]=4 8535 B12R0.248 CCC(O)CNCCCCCC#N 2230a_100011218483_100009813376 [0,1,0,0,0,0|2,0,1]=4 8536 B12R0.248 CCC(O)CNCCCCCC=O 2230a_100011218483_100000139337 [0,1,0,0,0,0|1,0,0]=2 8537 B12R0.248 CCC(O)CNCCCCCCF 2230a_100011218483_100015922095 [0,1,0,0,0,0|2,0,1]=4 8538 B12R0.248 CCC(O)CNCCCCCCO 2230a_100000686447_100011218378 [0,1,0,0,0,0|1,0,2]=4 8539 B12R0.248 CCC(O)CNCCCCCCO 2230a_100011218483_100000766143 [0,1,0,0,0,0|1,0,2]=4 8540 B12R0.248 CCC(O)CNCCCCCCO 34a_100000686447_100011218378 [0,1,0,0,0,0|1,0,2]=4 8541 B12R0.248 CCC(O)CNCCCCCOC 2230a_100000747528_100011218378 [0,1,0,0,0,0|3,0,0]=4 8542 B12R0.248 CCC(O)CNCCCCCOC 34a_100000747528_100011218378 [0,1,0,0,0,0|3,0,0]=4 8543 B12R0.248 CCC(O)COCCCCCCBr 34a_100011215345_100011218378 [0,1,0,0,0,0|2,0,1]=4 8544 B12R0.248 CCC(O)COCCCCCCBr 7a_100011215345_100011218378 [0,1,0,0,0,0|2,0,1]=4 8545 B12R0.248 CCC(O)COCCCCCCCl 34a_100000766143_100011218378 [0,1,0,0,0,0|2,0,1]=4 8546 B12R0.248 CCC(O)COCCCCCCCl 7a_100000766143_100011218378 [0,1,0,0,0,0|2,0,1]=4 8547 B12R0.248 CCC(O)COCCCCCCF 34a_100000732779_100011218378 [0,1,0,0,0,0|2,0,1]=4 8548 B12R0.248 CCC(O)COCCCCCCF 7a_100000732779_100011218378 [0,1,0,0,0,0|2,0,1]=4 8549 B12R0.248 CCC(O)COCCCCCCN 34a_100000686447_100011218378 [0,1,0,0,0,0|2,0,1]=4 8550 B12R0.248 CCC(O)COCCCCCNC 34a_100000722520_100011218378 [0,1,0,0,0,0|3,0,0]=4 8551 B12R0.248 CCC(O)CSCCCCCC#N 62a_100009813376_100011218378 [0,1,0,0,0,0|2,0,1]=4 8552 B12R0.248 CCC(O)CSCCCCCC#N 62a_100011218378_100009813376 [0,1,0,0,0,0|2,0,1]=4 8553 B12R0.248 CCC(O)CSCCCCCC=O 62a_100000139337_100011218378 [0,1,0,0,0,0|1,0,0]=2 8554 B12R0.248 CCC(O)CSCCCCCC=O 62a_100011218378_100000139337 [0,1,0,0,0,0|1,0,0]=2 8555 B12R0.248 CCC(O)CSCCCCCCF 62a_100011218378_100015922095 [0,1,0,0,0,0|2,0,1]=4 8556 B12R0.248 CCC(O)CSCCCCCCF 62a_100015922095_100011218378 [0,1,0,0,0,0|2,0,1]=4 8557 B12R0.248 CCC(O)CSCCCCCCO 62a_100000766143_100011218378 [0,1,0,0,0,0|1,0,2]=4 8558 B12R0.248 CCC(O)CSCCCCCCO 62a_100011218378_100000766143 [0,1,0,0,0,0|1,0,2]=4 8559 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,1,0,0,0,0|1,0,2]=4 8560 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,1,0,0,0,0|1,0,2]=4 8561 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [0,1,0,0,0,0|1,0,2]=4 8562 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [0,1,0,0,0,0|0,0,3]=4 8563 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [0,1,0,0,0,0|2,0,1]=4 8564 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [0,1,0,0,0,0|2,0,1]=4 8565 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [0,1,0,0,0,0|2,0,1]=4 8566 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [0,1,0,0,0,0|2,0,1]=4 8567 B12R0.248 CCCCCCCCCC(C)NC 270004a_106832991635_100011215753 [0,1,0,0,0,0|2,0,0]=3 8568 B12R0.248 CCCCCCCCCC(C)OC 34a_100011218016_200000210301 [0,1,0,0,0,0|2,0,0]=3 8569 B12R0.248 CCCCCCCCCC(C)OC 7a_100011218016_200000210301 [0,1,0,0,0,0|2,0,0]=3 8570 B12R0.248 CCCCCCCCCC(C)O[13CH3] 34a_100011218016_200025704644 [0,1,0,0,0,0|2,0,0]=3 8571 B12R0.248 CCCCCCCCCC(C)O[13CH3] 7a_100011218016_200025704644 [0,1,0,0,0,0|2,0,0]=3 8572 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000225621_100011214924 [0,1,0,0,0,0|2,0,1]=4 8573 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000232482_100000210202 [0,1,0,0,0,0|2,0,1]=4 8574 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000225621_100000210670 [0,1,0,0,0,0|2,0,1]=4 8575 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000232482_100000204670 [0,1,0,0,0,0|2,0,1]=4 8576 B12R0.248 CCCCCCCCCN(C)CF 269982a_100000232482_100015361967 [0,1,0,0,0,0|2,0,1]=4 8577 B12R0.248 CCCCCCCCNC(C)C#N 2230a_100000229939_100000184139 [0,1,0,0,0,0|2,0,1]=4 8578 B12R0.248 CCCCCCCCNC(C)C#N 2230a_100000737613_100000210759 [0,1,0,0,0,0|2,0,1]=4 8579 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000209981_100000210759 [0,1,0,0,0,0|2,0,1]=4 8580 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000229939_100000758301 [0,1,0,0,0,0|2,0,1]=4 8581 B12R0.248 CCCCCCCCNC(C)CC 34a_100000229939_100011215416 [0,1,0,0,0,0|2,0,1]=4 8582 B12R0.248 CCCCCCCCNC(C)CO 2230a_100000229939_100012180447 [0,1,0,0,0,0|1,0,2]=4 8583 B12R0.248 CCCCCCCCNC(C)CO 34a_100000229939_100012180447 [0,1,0,0,0,0|1,0,2]=4 8584 B12R0.248 CCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210759 [0,1,0,0,0,0|1,0,2]=4 8585 B12R0.248 CCCCCCCCOC(C)C#N 34a_100011218135_100000210759 [0,1,0,0,0,0|2,0,1]=4 8586 B12R0.248 CCCCCCCCOC(C)C#N 7a_100000210232_100000703298 [0,1,0,0,0,0|2,0,1]=4 8587 B12R0.248 CCCCCCCCOC(C)CC 34a_100000210232_100011215416 [0,1,0,0,0,0|2,0,1]=4 8588 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210228_100000210759 [0,1,0,0,0,0|2,0,1]=4 8589 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210232_100000758301 [0,1,0,0,0,0|2,0,1]=4 8590 B12R0.248 CCCCCCCCOC(C)CF 34a_100016041109_100000210759 [0,1,0,0,0,0|2,0,1]=4 8591 B12R0.248 CCCCCCCCOC(C)CF 7a_100016041109_100000210759 [0,1,0,0,0,0|2,0,1]=4 8592 B12R0.248 CCCCCCCCOC(C)CN 34a_100000210904_100000210759 [0,1,0,0,0,0|2,0,1]=4 8593 B12R0.248 CCCCCCCCOC(C)CO 34a_100000210232_100012180447 [0,1,0,0,0,0|1,0,2]=4 8594 B12R0.248 CCCCCCCCOC(C)CO 7a_100000210232_100012180447 [0,1,0,0,0,0|1,0,2]=4 8595 B12R0.248 CCCCCCCCSC(C)C#N 62a_100000210759_100000703298 [0,1,0,0,0,0|2,0,1]=4 8596 B12R0.248 CCCCCCCCSC(C)C#N 62a_100000703298_100000210317 [0,1,0,0,0,0|2,0,1]=4 8597 B12R0.248 CCCCCCCCSC(C)CC 62a_100000210759_100000758301 [0,1,0,0,0,0|2,0,1]=4 8598 B12R0.248 CCCCCCCCSC(C)CC 62a_100000758301_100000210317 [0,1,0,0,0,0|2,0,1]=4 8599 B12R0.248 CCCCCCCCSC(C)CO 62a_100012180447_100000210317 [0,1,0,0,0,0|1,0,2]=4 8600 B12R0.248 CCCCCCCCSC(C)OC 62a_100000210759_100009879195 [0,1,0,0,0,0|3,0,0]=4 8601 B12R0.248 CCCCCCCCSC(C)OC 62a_100009879195_100000210317 [0,1,0,0,0,0|3,0,0]=4 8602 B12R0.248 CCCCCCCCSC(F)C#N 62a_100000210759_200000117898 [0,1,0,0,0,0|2,0,1]=4 8603 B12R0.248 CCCCCCCCSC(F)C#N 62a_200000117898_100000210317 [0,1,0,0,0,0|2,0,1]=4 8604 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100000210759_100016084084 [0,1,0,0,0,0|1,0,2]=4 8605 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100016084084_100000210317 [0,1,0,0,0,0|1,0,2]=4 8606 B12R0.248 CCCCCCCNCC(C)CC 2230a_100000229938_100000748023 [0,1,0,0,0,0|2,0,1]=4 8607 B12R0.248 CCCCCCCNCC(C)CC 2230a_100020588543_100000210681 [0,1,0,0,0,0|2,0,1]=4 8608 B12R0.248 CCCCCCCNCC(C)CC 270004a_100000229938_100000243153 [0,1,0,0,0,0|2,0,1]=4 8609 B12R0.248 CCCCCCCNCC(C)CO 34a_100000744482_100000210614 [0,1,0,0,0,0|1,0,2]=4 8610 B12R0.248 CCCCCCCNCC(O)CC 2230a_100000229938_100011218378 [0,1,0,0,0,0|2,0,1]=4 8611 B12R0.248 CCCCCCCNCC(O)CC 2230a_100011218483_100000210681 [0,1,0,0,0,0|2,0,1]=4 8612 B12R0.248 CCCCCCCNCC(O)CO 2230a_100000229938_100011219619 [0,1,0,0,0,0|1,0,2]=4 8613 B12R0.248 CCCCCCCNC[C@@H](C)CC 2230a_100000229938_100009816398 [0,1,0,0,0,0|2,0,1]=4 8614 B12R0.248 CCCCCCCNC[C@@H](C)CO 2230a_100000229938_100000059175 [0,1,0,0,0,0|1,0,2]=4 8615 B12R0.248 CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210681 [0,1,0,0,0,0|3,0,0]=4 8616 B12R0.248 CCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210614 [0,1,0,0,0,0|1,0,2]=4 8617 B12R0.248 CCCCCCCNC[C@@H](O)CF 2230a_100000229938_100015614560 [0,1,0,0,0,0|2,0,1]=4 8618 B12R0.248 CCCCCCCNC[C@@H](O)CO 2230a_100000229938_100009815848 [0,1,0,0,0,0|1,0,2]=4 8619 B12R0.248 CCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210681 [0,1,0,0,0,0|1,0,2]=4 8620 B12R0.248 CCCCCCCOCC(C)CC 34a_100000210272_100000748023 [0,1,0,0,0,0|2,0,1]=4 8621 B12R0.248 CCCCCCCOCC(C)CC 7a_100000210272_100000748023 [0,1,0,0,0,0|2,0,1]=4 8622 B12R0.248 CCCCCCCOCC(C)CN 34a_100000744482_100000210614 [0,1,0,0,0,0|2,0,1]=4 8623 B12R0.248 CCCCCCCOCC(C)OC 34a_100000690652_100000210614 [0,1,0,0,0,0|3,0,0]=4 8624 B12R0.248 CCCCCCCOCC(Cl)CCl 34a_100000033668_100000210614 [0,1,0,0,0,0|2,0,1]=4 8625 B12R0.248 CCCCCCCOCC(O)CC 34a_100000210272_100011218378 [0,1,0,0,0,0|2,0,1]=4 8626 B12R0.248 CCCCCCCOCC(O)CC 7a_100000210272_100011218378 [0,1,0,0,0,0|2,0,1]=4 8627 B12R0.248 CCCCCCCOCC(O)CO 34a_100000210272_100011219619 [0,1,0,0,0,0|1,0,2]=4 8628 B12R0.248 CCCCCCCOCC(O)CO 7a_100000210272_100011219619 [0,1,0,0,0,0|1,0,2]=4 8629 B12R0.248 CCCCCCCOC[C@@H](C)CC 34a_100000210272_100009816398 [0,1,0,0,0,0|2,0,1]=4 8630 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100000210272_100009816398 [0,1,0,0,0,0|2,0,1]=4 8631 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210614 [0,1,0,0,0,0|2,0,1]=4 8632 B12R0.248 CCCCCCCOC[C@@H](C)CO 34a_100000210272_100000059175 [0,1,0,0,0,0|1,0,2]=4 8633 B12R0.248 CCCCCCCOC[C@@H](C)CO 7a_100000210272_100000059175 [0,1,0,0,0,0|1,0,2]=4 8634 B12R0.248 CCCCCCCOC[C@@H](O)CF 34a_100000210272_100015614560 [0,1,0,0,0,0|2,0,1]=4 8635 B12R0.248 CCCCCCCOC[C@@H](O)CF 7a_100000210272_100015614560 [0,1,0,0,0,0|2,0,1]=4 8636 B12R0.248 CCCCCCCOC[C@@H](O)CO 34a_100000210272_100009815848 [0,1,0,0,0,0|1,0,2]=4 8637 B12R0.248 CCCCCCCOC[C@@H](O)CO 7a_100000210272_100009815848 [0,1,0,0,0,0|1,0,2]=4 8638 B12R0.248 CCCCCCCOC[C@H](F)CN 34a_100015665980_100000210614 [0,1,0,0,0,0|2,0,1]=4 8639 B12R0.248 CCCCCCCSCC(C)CC 62a_100000210614_100000748023 [0,1,0,0,0,0|2,0,1]=4 8640 B12R0.248 CCCCCCCSCC(C)CC 62a_100000748023_100000210316 [0,1,0,0,0,0|2,0,1]=4 8641 B12R0.248 CCCCCCCSCC(O)CC 62a_100000210614_100011218378 [0,1,0,0,0,0|2,0,1]=4 8642 B12R0.248 CCCCCCCSCC(O)CC 62a_100011218378_100000210316 [0,1,0,0,0,0|2,0,1]=4 8643 B12R0.248 CCCCCCCSCC(O)CO 62a_100000210614_100011219619 [0,1,0,0,0,0|1,0,2]=4 8644 B12R0.248 CCCCCCCSCC(O)CO 62a_100011219619_100000210316 [0,1,0,0,0,0|1,0,2]=4 8645 B12R0.248 CCCCCCCSC[C@@H](C)CC 62a_100000210614_100009816398 [0,1,0,0,0,0|2,0,1]=4 8646 B12R0.248 CCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210316 [0,1,0,0,0,0|2,0,1]=4 8647 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210316 [0,1,0,0,0,0|1,0,2]=4 8648 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000210614_100000059175 [0,1,0,0,0,0|1,0,2]=4 8649 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100000210614_100015614560 [0,1,0,0,0,0|2,0,1]=4 8650 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210316 [0,1,0,0,0,0|2,0,1]=4 8651 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100000210614_100009815848 [0,1,0,0,0,0|1,0,2]=4 8652 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210316 [0,1,0,0,0,0|1,0,2]=4 8653 B12R0.248 CCCCCCNCCC(C)CC 2230a_100020591266_100000210314 [0,1,0,0,0,0|2,0,1]=4 8654 B12R0.248 CCCCCCNCCC(C)CO 2230a_106354213184_100000210314 [0,1,0,0,0,0|1,0,2]=4 8655 B12R0.248 CCCCCCNCCC(C)CO 34a_106354213184_100000210314 [0,1,0,0,0,0|1,0,2]=4 8656 B12R0.248 CCCCCCOCCC(C)CC 7a_100011215188_100000210314 [0,1,0,0,0,0|2,0,1]=4 8657 B12R0.248 CCCCCCOCCC(C)OC 7a_100000764861_100000210314 [0,1,0,0,0,0|3,0,0]=4 8658 B12R0.248 CCCCCOCCCC(C)CC 7a_100011216074_100000210326 [0,1,0,0,0,0|2,0,1]=4 8659 B12R0.248 CCCCCOCCC[C@@H](C)CN 34a_100160569302_100000718602 [0,1,0,0,0,0|2,0,1]=4 8660 B12R0.248 CCCOCCCCCC(C)CC 7a_200000035636_100000210303 [0,1,0,0,0,0|2,0,1]=4 8661 B12R0.248 CCN(C)CCCCCCCCO 2230a_100000225621_100000033203 [0,1,0,0,0,0|1,0,2]=4 8662 B12R0.248 CCN(C)CCCCCCCCO 269982a_100000225621_100000033203 [0,1,0,0,0,0|1,0,2]=4 8663 B12R0.248 CCN(C)CCCSCCCC=O 62a_200011292268_100015186262 [0,1,0,0,0,0|2,0,0]=3 8664 B12R0.248 CC[C@H](C)CNCCCCCCO 2230a_100000686447_100009816398 [0,1,0,0,0,0|1,0,2]=4 8665 B12R0.248 CC[C@H](C)CNCCCCCCO 34a_100000686447_100009816398 [0,1,0,0,0,0|1,0,2]=4 8666 B12R0.248 CC[C@H](C)CNCCCCCOC 2230a_100000747528_100009816398 [0,1,0,0,0,0|3,0,0]=4 8667 B12R0.248 CC[C@H](C)CNCCCCCOC 34a_100000747528_100009816398 [0,1,0,0,0,0|3,0,0]=4 8668 B12R0.248 CC[C@H](C)COCCCCCC#N 7a_100009816381_100009813376 [0,1,0,0,0,0|2,0,1]=4 8669 B12R0.248 CC[C@H](C)COCCCCCC=O 7a_100009816381_100000139337 [0,1,0,0,0,0|1,0,0]=2 8670 B12R0.248 CC[C@H](C)COCCCCCCBr 34a_100011215345_100009816398 [0,1,0,0,0,0|2,0,1]=4 8671 B12R0.248 CC[C@H](C)COCCCCCCBr 7a_100011215345_100009816398 [0,1,0,0,0,0|2,0,1]=4 8672 B12R0.248 CC[C@H](C)COCCCCCCCl 34a_100000766143_100009816398 [0,1,0,0,0,0|2,0,1]=4 8673 B12R0.248 CC[C@H](C)COCCCCCCCl 7a_100000766143_100009816398 [0,1,0,0,0,0|2,0,1]=4 8674 B12R0.248 CC[C@H](C)COCCCCCCF 34a_100000732779_100009816398 [0,1,0,0,0,0|2,0,1]=4 8675 B12R0.248 CC[C@H](C)COCCCCCCF 7a_100000732779_100009816398 [0,1,0,0,0,0|2,0,1]=4 8676 B12R0.248 CC[C@H](C)COCCCCCCF 7a_100009816381_100015922095 [0,1,0,0,0,0|2,0,1]=4 8677 B12R0.248 CC[C@H](C)COCCCCCCN 34a_100000686447_100009816398 [0,1,0,0,0,0|2,0,1]=4 8678 B12R0.248 CC[C@H](C)COCCCCCCO 7a_100009816381_100000766143 [0,1,0,0,0,0|1,0,2]=4 8679 B12R0.248 CC[C@H](C)COCCCCCNC 34a_100000722520_100009816398 [0,1,0,0,0,0|3,0,0]=4 8680 B12R0.248 CC[C@H](C)CSCCCCCC#N 62a_100009813376_100009816398 [0,1,0,0,0,0|2,0,1]=4 8681 B12R0.248 CC[C@H](C)CSCCCCCC#N 62a_100009816398_100009813376 [0,1,0,0,0,0|2,0,1]=4 8682 B12R0.248 CC[C@H](C)CSCCCCCC=O 62a_100000139337_100009816398 [0,1,0,0,0,0|1,0,0]=2 8683 B12R0.248 CC[C@H](C)CSCCCCCC=O 62a_100009816398_100000139337 [0,1,0,0,0,0|1,0,0]=2 8684 B12R0.248 CC[C@H](C)CSCCCCCCF 62a_100009816398_100015922095 [0,1,0,0,0,0|2,0,1]=4 8685 B12R0.248 CC[C@H](C)CSCCCCCCF 62a_100015922095_100009816398 [0,1,0,0,0,0|2,0,1]=4 8686 B12R0.248 CC[C@H](C)CSCCCCCCO 62a_100000766143_100009816398 [0,1,0,0,0,0|1,0,2]=4 8687 B12R0.248 CC[C@H](C)CSCCCCCCO 62a_100009816398_100000766143 [0,1,0,0,0,0|1,0,2]=4 8688 B12R0.248 CNC(=O)CCCNCCCC=O 2230a_100000740002_200011292268 [0,1,0,0,0,0|2,0,1]=4 8689 B12R0.248 CNC(=O)CCCSCCCC=O 62a_100000741757_200011292268 [0,1,0,0,0,0|2,0,1]=4 8690 B12R0.248 CNC(=O)CCCSCCCC=O 62a_200011292268_100000741757 [0,1,0,0,0,0|2,0,1]=4 8691 B12R0.248 CNC(=O)CCNCCCCC=O 2230a_100000738227_100000139335 [0,1,0,0,0,0|2,0,1]=4 8692 B12R0.248 CNC(=O)CCSCCCCC=O 62a_100000139335_100000737683 [0,1,0,0,0,0|2,0,1]=4 8693 B12R0.248 CNC(=O)CCSCCCCC=O 62a_100000737683_100000139335 [0,1,0,0,0,0|2,0,1]=4 8694 B12R0.248 CNC(=O)CNCCCCCC=O 2230a_100000693194_100000139337 [0,1,0,0,0,0|2,0,1]=4 8695 B12R0.248 CNC(=O)CSCCCCCC=O 62a_100000139337_100000183359 [0,1,0,0,0,0|2,0,1]=4 8696 B12R0.248 CNC(=O)CSCCCCCC=O 62a_100000183359_100000139337 [0,1,0,0,0,0|2,0,1]=4 8697 B12R0.248 COC(=O)CCCCCOCC=O 34a_100000074720_200009817547 [0,1,0,0,0,0|2,0,1]=4 8698 B12R0.248 COC(=O)CCCCCOCC=O 7a_100000074720_200015260668 [0,1,0,0,0,0|2,0,1]=4 8699 B12R0.248 COC(=O)CCCCCSCC=O 62a_100009816466_200015260668 [0,1,0,0,0,0|2,0,1]=4 8700 B12R0.248 COC(=O)CCCCCSCC=O 62a_200015260668_100009816466 [0,1,0,0,0,0|2,0,1]=4 8701 B12R0.248 COC(=O)CCCSCCCC=O 62a_100011218270_200011292268 [0,1,0,0,0,0|2,0,1]=4 8702 B12R0.248 COC(=O)CCCSCCCC=O 62a_200011292268_100011218270 [0,1,0,0,0,0|2,0,1]=4 8703 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000139335_100000204255 [0,1,0,0,0,0|2,0,1]=4 8704 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000204255_100000139335 [0,1,0,0,0,0|2,0,1]=4 8705 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000139337_100000747449 [0,1,0,0,0,0|2,0,1]=4 8706 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000747449_100000139337 [0,1,0,0,0,0|2,0,1]=4 8707 B12R0.248 COC(C)CCOCCCCC=O 7a_100000764861_100000139335 [0,1,0,0,0,0|2,0,0]=3 8708 B12R0.248 CO[C@H](C)CNCCCCCC=O 2230a_100020591295_100000139337 [0,1,0,0,0,0|2,0,0]=3 8709 B12R0.248 C[C@@H](CO)CSCCCCCC=O 62a_100000059175_100000139337 [0,1,0,0,0,0|2,0,0]=3 8710 B12R0.248 C[C@@H](CO)CSCCCCCC=O 62a_100000139337_100000059175 [0,1,0,0,0,0|2,0,0]=3 8711 B12R0.248 O=CCCCCCNC[C@H](O)CO 2230a_100020644852_100000139337 [0,1,0,0,0,0|2,0,0]=3 8712 B12R0.248 O=CCCCCCSCC(O)CO 62a_100000139337_100011219619 [0,1,0,0,0,0|2,0,0]=3 8713 B12R0.248 O=CCCCCCSCC(O)CO 62a_100011219619_100000139337 [0,1,0,0,0,0|2,0,0]=3 8714 B12R0.248 O=CCCCCCSC[C@@H](O)CF 62a_100000139337_100015614560 [0,1,0,0,0,0|2,0,0]=3 8715 B12R0.248 O=CCCCCCSC[C@@H](O)CF 62a_100015614560_100000139337 [0,1,0,0,0,0|2,0,0]=3 8716 B12R0.248 O=CCCCCCSC[C@@H](O)CO 62a_100000139337_100009815848 [0,1,0,0,0,0|2,0,0]=3 8717 B12R0.248 O=CCCCCCSC[C@@H](O)CO 62a_100009815848_100000139337 [0,1,0,0,0,0|2,0,0]=3 8718 B12R1.8 BrCCCCOC1CCCCC1 34a_100011216708_100000210327 [0,0,0,1,0,0|2,0,1]=4 8719 B12R1.8 BrCCCOCC1CCCCC1 34a_100011217188_100000211423 [0,0,0,1,0,0|2,0,1]=4 8720 B12R1.8 BrCCOCCC1CCCCC1 34a_100000211926_100011209188 [0,0,0,1,0,0|2,0,1]=4 8721 B12R1.8 C#CCCCNC1CCCCC1 2230a_100000182618_100000731252 [0,0,0,1,0,0|2,0,1]=4 8722 B12R1.8 C#CCCCNC1CCCCC1 270004a_100000718082_100000210434 [0,0,0,1,0,0|2,0,1]=4 8723 B12R1.8 C#CCCCNC1CCCCC1 34a_100000182618_100000695029 [0,0,0,1,0,0|2,0,1]=4 8724 B12R1.8 C#CCCCNC1CCCCC1 34a_100000718082_100000210327 [0,0,0,1,0,0|2,0,1]=4 8725 B12R1.8 C#CCCCOC1CCCCC1 34a_100000210231_100000695029 [0,0,0,1,0,0|2,0,1]=4 8726 B12R1.8 C#CCCCOC1CCCCC1 34a_100000215630_100000210327 [0,0,0,1,0,0|2,0,1]=4 8727 B12R1.8 C#CCCCOC1CCCCC1 7a_100000210231_100011215417 [0,0,0,1,0,0|2,0,1]=4 8728 B12R1.8 C#CCCCOC1CCCCC1 7a_100000215630_100000210327 [0,0,0,1,0,0|2,0,1]=4 8729 B12R1.8 C#CCCCSC1CCCCC1 62a_100000210327_100011215417 [0,0,0,1,0,0|2,0,1]=4 8730 B12R1.8 C#CCCCSC1CCCCC1 62a_100011215417_100000210327 [0,0,0,1,0,0|2,0,1]=4 8731 B12R1.8 C#CCCNCC1CCCCC1 2230a_100000210473_100000688953 [0,0,0,1,0,0|2,0,1]=4 8732 B12R1.8 C#CCCNCC1CCCCC1 34a_100000210473_100000688953 [0,0,0,1,0,0|2,0,1]=4 8733 B12R1.8 C#CCCNCC1CCCCC1 34a_100000755551_100000211423 [0,0,0,1,0,0|2,0,1]=4 8734 B12R1.8 C#CCCOCC1CCCCC1 34a_100000212181_100000688953 [0,0,0,1,0,0|2,0,1]=4 8735 B12R1.8 C#CCCOCC1CCCCC1 34a_100011215631_100000211423 [0,0,0,1,0,0|2,0,1]=4 8736 B12R1.8 C#CCCOCC1CCCCC1 7a_100000212181_100000688953 [0,0,0,1,0,0|2,0,1]=4 8737 B12R1.8 C#CCCSCC1CCCCC1 62a_100000211423_100000688953 [0,0,0,1,0,0|2,0,1]=4 8738 B12R1.8 C#CCCSCC1CCCCC1 62a_100000688953_100000211423 [0,0,0,1,0,0|2,0,1]=4 8739 B12R1.8 C#CCNCCC1CCCCC1 2230a_100000738074_100000038162 [0,0,0,1,0,0|2,0,1]=4 8740 B12R1.8 C#CCNCCC1CCCCC1 34a_100000212058_100011209188 [0,0,0,1,0,0|2,0,1]=4 8741 B12R1.8 C#CCNCCC1CCCCC1 34a_100000738074_100000184674 [0,0,0,1,0,0|2,0,1]=4 8742 B12R1.8 C#CCOCCC1CCCCC1 34a_100000210247_100011209188 [0,0,0,1,0,0|2,0,1]=4 8743 B12R1.8 C#CCOCCC1CCCCC1 34a_100011217863_100000184674 [0,0,0,1,0,0|2,0,1]=4 8744 B12R1.8 C#CCOCCC1CCCCC1 7a_100011217863_100000038162 [0,0,0,1,0,0|2,0,1]=4 8745 B12R1.8 C#CCSCCC1CCCCC1 62a_100000038162_100012355289 [0,0,0,1,0,0|2,0,1]=4 8746 B12R1.8 C/C=C/CCOC1CCCCC1 34a_100016278192_100000210327 [0,0,0,1,0,0|2,0,1]=4 8747 B12R1.8 C/C=C/CNCC1CCCCC1 34a_100000210473_100102629194 [0,0,0,1,0,0|2,0,1]=4 8748 B12R1.8 C/C=C/COCC1CCCCC1 34a_100000212181_100102629194 [0,0,0,1,0,0|2,0,1]=4 8749 B12R1.8 C/C=C/COCC1CCCCC1 34a_100016270725_100000211423 [0,0,0,1,0,0|2,0,1]=4 8750 B12R1.8 C/C=C/COCC1CCCCC1 7a_100000212181_100102629194 [0,0,0,1,0,0|2,0,1]=4 8751 B12R1.8 C/C=C/CSCC1CCCCC1 62a_100000211423_100102629194 [0,0,0,1,0,0|2,0,1]=4 8752 B12R1.8 C/C=C/CSCC1CCCCC1 62a_100102629194_100000211423 [0,0,0,1,0,0|2,0,1]=4 8753 B12R1.8 C=CCCCCN1CCCOC1 2230a_100000131196_100011215482 [0,0,0,1,0,0|3,0,0]=4 8754 B12R1.8 C=CCCCCN1CCCOC1 269982a_100000131196_100011215482 [0,0,0,1,0,0|3,0,0]=4 8755 B12R1.8 C=CCCCCN1CCCOC1 34a_100000131196_100011215482 [0,0,0,1,0,0|3,0,0]=4 8756 B12R1.8 C=CCCCCN1CCOCC1 2230a_100015191051_100011215482 [0,0,0,1,0,0|3,0,0]=4 8757 B12R1.8 C=CCCCCN1CCOCC1 269982a_100015191051_100011215482 [0,0,0,1,0,0|3,0,0]=4 8758 B12R1.8 C=CCCCCN1CCOCC1 34a_100015191051_100011215482 [0,0,0,1,0,0|3,0,0]=4 8759 B12R1.8 C=CCCCCN1CCSCC1 2230a_100000737611_100011215482 [0,0,0,1,0,0|3,0,0]=4 8760 B12R1.8 C=CCCCCN1CCSCC1 269982a_100000737611_100011215482 [0,0,0,1,0,0|3,0,0]=4 8761 B12R1.8 C=CCCCNC1CCCCC1 2230a_100000182618_100011713584 [0,0,0,1,0,0|2,0,0]=3 8762 B12R1.8 C=CCCCNC1CCCCC1 270004a_100000700776_100000210434 [0,0,0,1,0,0|2,0,0]=3 8763 B12R1.8 C=CCCCNC1CCCCC1 34a_100000182618_100000757094 [0,0,0,1,0,0|2,0,0]=3 8764 B12R1.8 C=CCCCNC1CCCCC1 34a_100000700776_100000210327 [0,0,0,1,0,0|2,0,0]=3 8765 B12R1.8 C=CCCCNC1CCCOC1 2230a_100000719290_100011713584 [0,0,0,1,0,0|3,0,0]=4 8766 B12R1.8 C=CCCCNC1CCCOC1 270004a_100000700776_100000753404 [0,0,0,1,0,0|3,0,0]=4 8767 B12R1.8 C=CCCCNC1CCCOC1 34a_100000700776_100000693364 [0,0,0,1,0,0|3,0,0]=4 8768 B12R1.8 C=CCCCNC1CCCOC1 34a_100000719290_100000757094 [0,0,0,1,0,0|3,0,0]=4 8769 B12R1.8 C=CCCCNC1CCCSC1 270004a_100000700776_100000057913 [0,0,0,1,0,0|3,0,0]=4 8770 B12R1.8 C=CCCCNC1CCNCC1 270004a_100000700776_100015192401 [0,0,0,1,0,0|3,0,0]=4 8771 B12R1.8 C=CCCCNC1CCOCC1 2230a_100000741149_100011713584 [0,0,0,1,0,0|3,0,0]=4 8772 B12R1.8 C=CCCCNC1CCOCC1 270004a_100000700776_100011217826 [0,0,0,1,0,0|3,0,0]=4 8773 B12R1.8 C=CCCCNC1CCOCC1 34a_100000741149_100000757094 [0,0,0,1,0,0|3,0,0]=4 8774 B12R1.8 C=CCCCNC1CCSCC1 2230a_100000748639_100011713584 [0,0,0,1,0,0|3,0,0]=4 8775 B12R1.8 C=CCCCNC1CCSCC1 270004a_100000700776_100000203788 [0,0,0,1,0,0|3,0,0]=4 8776 B12R1.8 C=CCCCNC1CCSCC1 34a_100000700776_100000069128 [0,0,0,1,0,0|3,0,0]=4 8777 B12R1.8 C=CCCCNC1CCSCC1 34a_100000748639_100000757094 [0,0,0,1,0,0|3,0,0]=4 8778 B12R1.8 C=CCCCOC1CCCCC1 34a_100000210231_100000757094 [0,0,0,1,0,0|2,0,0]=3 8779 B12R1.8 C=CCCCOC1CCCCC1 34a_100000758997_100000210327 [0,0,0,1,0,0|2,0,0]=3 8780 B12R1.8 C=CCCCOC1CCCCC1 7a_100000210231_100000757094 [0,0,0,1,0,0|2,0,0]=3 8781 B12R1.8 C=CCCCOC1CCCCC1 7a_100000758997_100000210327 [0,0,0,1,0,0|2,0,0]=3 8782 B12R1.8 C=CCCCOC1CCCCO1 34a_100000033831_100000757094 [0,0,0,1,0,0|3,0,0]=4 8783 B12R1.8 C=CCCCOC1CCCOC1 34a_100000754041_100000757094 [0,0,0,1,0,0|3,0,0]=4 8784 B12R1.8 C=CCCCOC1CCCOC1 34a_100000758997_100000693364 [0,0,0,1,0,0|3,0,0]=4 8785 B12R1.8 C=CCCCOC1CCCOC1 7a_100000758997_100000693364 [0,0,0,1,0,0|3,0,0]=4 8786 B12R1.8 C=CCCCOC1CCCSC1 7a_100015962668_100000757094 [0,0,0,1,0,0|3,0,0]=4 8787 B12R1.8 C=CCCCOC1CCOCC1 34a_100000744328_100000757094 [0,0,0,1,0,0|3,0,0]=4 8788 B12R1.8 C=CCCCOC1CCOCC1 7a_100000758997_100000686592 [0,0,0,1,0,0|3,0,0]=4 8789 B12R1.8 C=CCCCOC1CCSCC1 34a_100000731022_100000757094 [0,0,0,1,0,0|3,0,0]=4 8790 B12R1.8 C=CCCCOC1CCSCC1 34a_100000758997_100000069128 [0,0,0,1,0,0|3,0,0]=4 8791 B12R1.8 C=CCCCOC1CCSCC1 7a_100000731022_100000757094 [0,0,0,1,0,0|3,0,0]=4 8792 B12R1.8 C=CCCCOC1CCSCC1 7a_100000758997_100011500858 [0,0,0,1,0,0|3,0,0]=4 8793 B12R1.8 C=CCCCSC1CCCCC1 62a_100000210327_100000757094 [0,0,0,1,0,0|2,0,0]=3 8794 B12R1.8 C=CCCCSC1CCCCC1 62a_100011713584_100000210327 [0,0,0,1,0,0|2,0,0]=3 8795 B12R1.8 C=CCCCSC1CCCOC1 62a_100011713584_100000693364 [0,0,0,1,0,0|3,0,0]=4 8796 B12R1.8 C=CCCCSC1CCOCC1 62a_100011713584_100011324220 [0,0,0,1,0,0|3,0,0]=4 8797 B12R1.8 C=CCCCSC1CCSCC1 62a_100011713584_100000069128 [0,0,0,1,0,0|3,0,0]=4 8798 B12R1.8 C=CCCNCC1CCCCC1 2230a_100000210473_100000754431 [0,0,0,1,0,0|2,0,0]=3 8799 B12R1.8 C=CCCNCC1CCCCC1 2230a_100015191253_100000211423 [0,0,0,1,0,0|2,0,0]=3 8800 B12R1.8 C=CCCNCC1CCCCC1 269862a_100015191253_100000211278 [0,0,0,1,0,0|2,0,0]=3 8801 B12R1.8 C=CCCNCC1CCCCC1 34a_100000210473_100000754431 [0,0,0,1,0,0|2,0,0]=3 8802 B12R1.8 C=CCCNCC1CCCCO1 2230a_100000174945_100000754431 [0,0,0,1,0,0|3,0,0]=4 8803 B12R1.8 C=CCCNCC1CCCCO1 2230a_100015191253_100000211543 [0,0,0,1,0,0|3,0,0]=4 8804 B12R1.8 C=CCCNCC1CCCCO1 34a_100000174945_100000754431 [0,0,0,1,0,0|3,0,0]=4 8805 B12R1.8 C=CCCNCC1CCCOC1 2230a_100000720124_100000754431 [0,0,0,1,0,0|3,0,0]=4 8806 B12R1.8 C=CCCNCC1CCCOC1 2230a_100015191253_100000741521 [0,0,0,1,0,0|3,0,0]=4 8807 B12R1.8 C=CCCNCC1CCCOC1 34a_100000720124_100000754431 [0,0,0,1,0,0|3,0,0]=4 8808 B12R1.8 C=CCCNCC1CCOCC1 2230a_100000746373_100000754431 [0,0,0,1,0,0|3,0,0]=4 8809 B12R1.8 C=CCCNCC1CCOCC1 2230a_100015191253_100000754603 [0,0,0,1,0,0|3,0,0]=4 8810 B12R1.8 C=CCCNCC1CCOCC1 269862a_100015191253_100000749017 [0,0,0,1,0,0|3,0,0]=4 8811 B12R1.8 C=CCCNCC1CCOCC1 34a_100000746373_100000754431 [0,0,0,1,0,0|3,0,0]=4 8812 B12R1.8 C=CCCNCC1CCSCC1 2230a_100015188806_100000754431 [0,0,0,1,0,0|3,0,0]=4 8813 B12R1.8 C=CCCNCC1CCSCC1 269862a_100015191253_100000067145 [0,0,0,1,0,0|3,0,0]=4 8814 B12R1.8 C=CCCNCC1CCSCC1 270004a_100015191253_100000067145 [0,0,0,1,0,0|3,0,0]=4 8815 B12R1.8 C=CCCNCC1CCSCC1 34a_100015188806_100000754431 [0,0,0,1,0,0|3,0,0]=4 8816 B12R1.8 C=CCCOCC1CCCCC1 34a_100000212181_100000754431 [0,0,0,1,0,0|2,0,0]=3 8817 B12R1.8 C=CCCOCC1CCCCC1 34a_100011205117_100000211423 [0,0,0,1,0,0|2,0,0]=3 8818 B12R1.8 C=CCCOCC1CCCCC1 7a_100000212181_100000754431 [0,0,0,1,0,0|2,0,0]=3 8819 B12R1.8 C=CCCOCC1CCCCN1 34a_100000210821_100000754431 [0,0,0,1,0,0|3,0,0]=4 8820 B12R1.8 C=CCCOCC1CCCCO1 34a_100000211370_100000754431 [0,0,0,1,0,0|3,0,0]=4 8821 B12R1.8 C=CCCOCC1CCCCO1 34a_100011205117_100000211543 [0,0,0,1,0,0|3,0,0]=4 8822 B12R1.8 C=CCCOCC1CCCCO1 7a_100000211370_100000754431 [0,0,0,1,0,0|3,0,0]=4 8823 B12R1.8 C=CCCOCC1CCCNC1 34a_100000211344_100000754431 [0,0,0,1,0,0|3,0,0]=4 8824 B12R1.8 C=CCCOCC1CCCOC1 34a_100000741520_100000754431 [0,0,0,1,0,0|3,0,0]=4 8825 B12R1.8 C=CCCOCC1CCCOC1 34a_100011205117_100000741521 [0,0,0,1,0,0|3,0,0]=4 8826 B12R1.8 C=CCCOCC1CCNCC1 34a_100000738675_100000754431 [0,0,0,1,0,0|3,0,0]=4 8827 B12R1.8 C=CCCOCC1CCOCC1 34a_100000749013_100000754431 [0,0,0,1,0,0|3,0,0]=4 8828 B12R1.8 C=CCCOCC1CCOCC1 34a_100011205117_100000754603 [0,0,0,1,0,0|3,0,0]=4 8829 B12R1.8 C=CCCOCC1CCSCC1 34a_100000070558_100000754431 [0,0,0,1,0,0|3,0,0]=4 8830 B12R1.8 C=CCCOCC1CCSCC1 7a_100000070558_100000754431 [0,0,0,1,0,0|3,0,0]=4 8831 B12R1.8 C=CCCSCC1CCCCC1 62a_100000211423_100000754431 [0,0,0,1,0,0|2,0,0]=3 8832 B12R1.8 C=CCCSCC1CCCCC1 62a_100000754431_100000211423 [0,0,0,1,0,0|2,0,0]=3 8833 B12R1.8 C=CCCSCC1CCCCO1 62a_100000211543_100000754431 [0,0,0,1,0,0|3,0,0]=4 8834 B12R1.8 C=CCCSCC1CCCCO1 62a_100000754431_100000211543 [0,0,0,1,0,0|3,0,0]=4 8835 B12R1.8 C=CCCSCC1CCCOC1 62a_100000741521_100000754431 [0,0,0,1,0,0|3,0,0]=4 8836 B12R1.8 C=CCCSCC1CCCOC1 62a_100000754431_100000741521 [0,0,0,1,0,0|3,0,0]=4 8837 B12R1.8 C=CCCSCC1CCOCC1 62a_100000754431_100000749018 [0,0,0,1,0,0|3,0,0]=4 8838 B12R1.8 C=CCCSCC1CCOCC1 62a_100000754603_100000754431 [0,0,0,1,0,0|3,0,0]=4 8839 B12R1.8 C=CCNCCC1CCCCC1 2230a_100000738074_100000210623 [0,0,0,1,0,0|2,0,0]=3 8840 B12R1.8 C=CCNCCC1CCCCC1 2230a_100020586998_100012355289 [0,0,0,1,0,0|2,0,0]=3 8841 B12R1.8 C=CCNCCC1CCCCC1 270004a_100020586998_100011713444 [0,0,0,1,0,0|2,0,0]=3 8842 B12R1.8 C=CCNCCC1CCCCC1 34a_100000738074_100015514636 [0,0,0,1,0,0|2,0,0]=3 8843 B12R1.8 C=CCNCCC1CCCCO1 2230a_100015183643_100000210623 [0,0,0,1,0,0|3,0,0]=4 8844 B12R1.8 C=CCNCCC1CCCCO1 34a_100015183643_100015514636 [0,0,0,1,0,0|3,0,0]=4 8845 B12R1.8 C=CCNCCC1CCOCC1 2230a_100000755988_100000210623 [0,0,0,1,0,0|3,0,0]=4 8846 B12R1.8 C=CCNCCC1CCOCC1 2230a_100020586998_100011934994 [0,0,0,1,0,0|3,0,0]=4 8847 B12R1.8 C=CCNCCC1CCOCC1 34a_100000755988_100015514636 [0,0,0,1,0,0|3,0,0]=4 8848 B12R1.8 C=CCNCCN1CCCCC1 2230a_100020586998_100000739454 [0,0,0,1,0,0|3,0,0]=4 8849 B12R1.8 C=CCNCOC1CCCCC1 2230a_100020586998_100011935260 [0,0,0,1,0,0|3,0,0]=4 8850 B12R1.8 C=CCOCCC1CCCCC1 34a_100011217863_100015514636 [0,0,0,1,0,0|2,0,0]=3 8851 B12R1.8 C=CCOCCC1CCCCC1 34a_200000210373_100011209188 [0,0,0,1,0,0|2,0,0]=3 8852 B12R1.8 C=CCOCCC1CCCCC1 7a_100011217863_100015514636 [0,0,0,1,0,0|2,0,0]=3 8853 B12R1.8 C=CCOCCC1CCCCN1 34a_100000211664_100015514636 [0,0,0,1,0,0|3,0,0]=4 8854 B12R1.8 C=CCOCCC1CCCNC1 34a_100000752241_100015514636 [0,0,0,1,0,0|3,0,0]=4 8855 B12R1.8 C=CCOCCC1CCNCC1 34a_100015190746_100015514636 [0,0,0,1,0,0|3,0,0]=4 8856 B12R1.8 C=CCOCCC1CCOCC1 34a_100011933979_100015514636 [0,0,0,1,0,0|3,0,0]=4 8857 B12R1.8 C=CCOCCC1CCOCC1 34a_200000210373_100011934994 [0,0,0,1,0,0|3,0,0]=4 8858 B12R1.8 C=CCOCCC1CCOCC1 7a_100011933979_100015514636 [0,0,0,1,0,0|3,0,0]=4 8859 B12R1.8 C=CCOCCN1CCCCC1 34a_200000210373_100000739454 [0,0,0,1,0,0|3,0,0]=4 8860 B12R1.8 C=CCOCOC1CCCCC1 34a_200000210373_100011935260 [0,0,0,1,0,0|3,0,0]=4 8861 B12R1.8 C=CCSCCC1CCCCC1 62a_100000210623_100012355289 [0,0,0,1,0,0|2,0,0]=3 8862 B12R1.8 C=CCSCCC1CCCCC1 62a_100012355289_100000210623 [0,0,0,1,0,0|2,0,0]=3 8863 B12R1.8 C=CCSCCC1CCOCC1 62a_100000210623_100011934994 [0,0,0,1,0,0|3,0,0]=4 8864 B12R1.8 C=CCSCCC1CCOCC1 62a_100011934994_100000210623 [0,0,0,1,0,0|3,0,0]=4 8865 B12R1.8 C=CCSCCN1CCCCC1 62a_100000210623_100000739454 [0,0,0,1,0,0|3,0,0]=4 8866 B12R1.8 C=CCSCCN1CCCCC1 62a_100000739454_100000210623 [0,0,0,1,0,0|3,0,0]=4 8867 B12R1.8 C=CCSCOC1CCCCC1 62a_100000210623_100011935260 [0,0,0,1,0,0|3,0,0]=4 8868 B12R1.8 C=CCSCOC1CCCCC1 62a_100011935260_100000210623 [0,0,0,1,0,0|3,0,0]=4 8869 B12R1.8 C=COCCNC1CCCCC1 2230a_100000182618_100000039644 [0,0,0,1,0,0|3,0,0]=4 8870 B12R1.8 C=COCCNC1CCCCC1 34a_100000182618_100000039644 [0,0,0,1,0,0|3,0,0]=4 8871 B12R1.8 C=COCCOC1CCCCC1 34a_100000033082_100000210327 [0,0,0,1,0,0|3,0,0]=4 8872 B12R1.8 C=COCCOC1CCCCC1 34a_100000210231_100000039644 [0,0,0,1,0,0|3,0,0]=4 8873 B12R1.8 C=COCCOC1CCCCC1 7a_100000210231_100000039644 [0,0,0,1,0,0|3,0,0]=4 8874 B12R1.8 C=COCCSC1CCCCC1 62a_100000039644_100000210327 [0,0,0,1,0,0|3,0,0]=4 8875 B12R1.8 C=COCCSC1CCCCC1 62a_100000210327_100000039644 [0,0,0,1,0,0|3,0,0]=4 8876 B12R1.8 CC=CCNCC1CCCCC1 2230a_100000210473_100000070051 [0,0,0,1,0,0|2,0,1]=4 8877 B12R1.8 CC=CCNCC1CCCCC1 34a_100000210473_100000070051 [0,0,0,1,0,0|2,0,1]=4 8878 B12R1.8 CC=CCOCC1CCCCC1 34a_100000212181_100000070051 [0,0,0,1,0,0|2,0,1]=4 8879 B12R1.8 CC=CCOCC1CCCCC1 7a_100000212181_100000070051 [0,0,0,1,0,0|2,0,1]=4 8880 B12R1.8 CC=CCSCC1CCCCC1 62a_100000070051_100000211423 [0,0,0,1,0,0|2,0,1]=4 8881 B12R1.8 CC=CCSCC1CCCCC1 62a_100000211423_100000070051 [0,0,0,1,0,0|2,0,1]=4 8882 B12R1.8 CCCCCCN1CC=CCC1 2230a_100000698166_100000210314 [0,0,0,1,0,0|2,0,1]=4 8883 B12R1.8 CCCCCCN1CC=CCC1 269982a_100000698166_100000210757 [0,0,0,1,0,0|2,0,1]=4 8884 B12R1.8 CCCCCCN1CC=CCC1 34a_100000698166_100000210314 [0,0,0,1,0,0|2,0,1]=4 8885 B12R1.8 CCCCCCN1CCCOC1 2230a_100000131196_100000210314 [0,0,0,1,0,0|3,0,0]=4 8886 B12R1.8 CCCCCCN1CCCOC1 269982a_100000131196_100000210757 [0,0,0,1,0,0|3,0,0]=4 8887 B12R1.8 CCCCCCN1CCCOC1 34a_100000131196_100000210314 [0,0,0,1,0,0|3,0,0]=4 8888 B12R1.8 CCCCCNC1C=CCCC1 2230a_100000209983_100000751183 [0,0,0,1,0,0|2,0,0]=3 8889 B12R1.8 CCCCCNC1CCCCC1 2230a_100000182618_100000210326 [0,0,0,1,0,0|2,0,1]=4 8890 B12R1.8 CCCCCNC1CCCCC1 270004a_100000209983_100000210434 [0,0,0,1,0,0|2,0,1]=4 8891 B12R1.8 CCCCCNC1CCCCC1 34a_100000182618_100000718602 [0,0,0,1,0,0|2,0,1]=4 8892 B12R1.8 CCCCCNC1CCCOC1 2230a_100000719290_100000210326 [0,0,0,1,0,0|3,0,0]=4 8893 B12R1.8 CCCCCNC1CCCOC1 270004a_100000209983_100000753404 [0,0,0,1,0,0|3,0,0]=4 8894 B12R1.8 CCCCCNC1CCCOC1 34a_100000719290_100000718602 [0,0,0,1,0,0|3,0,0]=4 8895 B12R1.8 CCCCCNC1CCCSC1 270004a_100000209983_100000057913 [0,0,0,1,0,0|3,0,0]=4 8896 B12R1.8 CCCCCOC1C=CCCC1 34a_100011215024_100000718602 [0,0,0,1,0,0|2,0,0]=3 8897 B12R1.8 CCCCCOC1C=CCCC1 7a_100000210253_100000751183 [0,0,0,1,0,0|2,0,0]=3 8898 B12R1.8 CCCCCOC1CC=CCC1 34a_100000073881_100000718602 [0,0,0,1,0,0|2,0,1]=4 8899 B12R1.8 CCCCCOC1CCCCC1 34a_100000210231_100000718602 [0,0,0,1,0,0|2,0,1]=4 8900 B12R1.8 CCCCCOC1CCCCC1 34a_100000210253_100000210327 [0,0,0,1,0,0|2,0,1]=4 8901 B12R1.8 CCCCCOC1CCCCC1 7a_100000210231_100000210326 [0,0,0,1,0,0|2,0,1]=4 8902 B12R1.8 CCCCCOC1CCCCC1 7a_100000210253_100000210327 [0,0,0,1,0,0|2,0,1]=4 8903 B12R1.8 CCCCCOC1CCCCO1 34a_100000033831_100000718602 [0,0,0,1,0,0|1,0,2]=4 8904 B12R1.8 CCCCCOC1CCCOC1 34a_100000210253_100000693364 [0,0,0,1,0,0|3,0,0]=4 8905 B12R1.8 CCCCCOC1CCCOC1 34a_100000754041_100000718602 [0,0,0,1,0,0|3,0,0]=4 8906 B12R1.8 CCCCCOC1CCCOC1 7a_100000210253_100000693364 [0,0,0,1,0,0|3,0,0]=4 8907 B12R1.8 CCCCCOC1CCCSC1 7a_100015962668_100000210326 [0,0,0,1,0,0|3,0,0]=4 8908 B12R1.8 CCCCCSC1C=CCCC1 62a_100000210326_100000751183 [0,0,0,1,0,0|2,0,0]=3 8909 B12R1.8 CCCCCSC1C=CCCC1 62a_100000751183_100000210326 [0,0,0,1,0,0|2,0,0]=3 8910 B12R1.8 CCCCCSC1CCCCC1 62a_100000210326_100000210327 [0,0,0,1,0,0|2,0,1]=4 8911 B12R1.8 CCCCCSC1CCCCC1 62a_100000210327_100000210326 [0,0,0,1,0,0|2,0,1]=4 8912 B12R1.8 CCCCCSC1CCCOC1 62a_100000210326_100000693364 [0,0,0,1,0,0|3,0,0]=4 8913 B12R1.8 CCCCNCC1CC=CCC1 270004a_100000102301_100000189434 [0,0,0,1,0,0|2,0,1]=4 8914 B12R1.8 CCCCNCC1CCCCC1 2230a_100000102301_100000211423 [0,0,0,1,0,0|2,0,1]=4 8915 B12R1.8 CCCCNCC1CCCCC1 2230a_100000210473_100000210211 [0,0,0,1,0,0|2,0,1]=4 8916 B12R1.8 CCCCNCC1CCCCC1 269862a_100000102301_100000211278 [0,0,0,1,0,0|2,0,1]=4 8917 B12R1.8 CCCCNCC1CCCCC1 34a_100000210473_100000210210 [0,0,0,1,0,0|2,0,1]=4 8918 B12R1.8 CCCCNCC1CCCCC1 7a_106832991798_100000211423 [0,0,0,1,0,0|2,0,1]=4 8919 B12R1.8 CCCCNCC1CCCCO1 2230a_100000102301_100000211543 [0,0,0,1,0,0|1,0,2]=4 8920 B12R1.8 CCCCNCC1CCCCO1 2230a_100000174945_100000210211 [0,0,0,1,0,0|1,0,2]=4 8921 B12R1.8 CCCCNCC1CCCCO1 34a_100000174945_100000210210 [0,0,0,1,0,0|1,0,2]=4 8922 B12R1.8 CCCCNCC1CCCCO1 7a_106832991798_100000211543 [0,0,0,1,0,0|1,0,2]=4 8923 B12R1.8 CCCCNCC1CCCOC1 2230a_100000102301_100000741521 [0,0,0,1,0,0|3,0,0]=4 8924 B12R1.8 CCCCNCC1CCCOC1 2230a_100000720124_100000210211 [0,0,0,1,0,0|3,0,0]=4 8925 B12R1.8 CCCCNCC1CCCOC1 34a_100000720124_100000210210 [0,0,0,1,0,0|3,0,0]=4 8926 B12R1.8 CCCCNCC1CCCOC1 7a_106832991798_100000741521 [0,0,0,1,0,0|3,0,0]=4 8927 B12R1.8 CCCCOCC1CC=CCC1 34a_100000210713_100000210210 [0,0,0,1,0,0|2,0,1]=4 8928 B12R1.8 CCCCOCC1CCC=CO1 34a_100011217868_100000210210 [0,0,0,1,0,0|1,0,2]=4 8929 B12R1.8 CCCCOCC1CCCCC1 34a_100000210227_100000211423 [0,0,0,1,0,0|2,0,1]=4 8930 B12R1.8 CCCCOCC1CCCCC1 34a_100000212181_100000210210 [0,0,0,1,0,0|2,0,1]=4 8931 B12R1.8 CCCCOCC1CCCCC1 7a_100000210227_100000211423 [0,0,0,1,0,0|2,0,1]=4 8932 B12R1.8 CCCCOCC1CCCCC1 7a_100000212181_100000210211 [0,0,0,1,0,0|2,0,1]=4 8933 B12R1.8 CCCCOCC1CCCCN1 34a_100000210821_100000210210 [0,0,0,1,0,0|2,0,1]=4 8934 B12R1.8 CCCCOCC1CCCCO1 34a_100000210227_100000211543 [0,0,0,1,0,0|1,0,2]=4 8935 B12R1.8 CCCCOCC1CCCCO1 34a_100000211370_100000210210 [0,0,0,1,0,0|1,0,2]=4 8936 B12R1.8 CCCCOCC1CCCCO1 7a_100000210227_100000211543 [0,0,0,1,0,0|1,0,2]=4 8937 B12R1.8 CCCCOCC1CCCCO1 7a_100000211370_100000210211 [0,0,0,1,0,0|1,0,2]=4 8938 B12R1.8 CCCCOCC1CCCNC1 34a_100000211344_100000210210 [0,0,0,1,0,0|3,0,0]=4 8939 B12R1.8 CCCCOCC1CCCOC1 34a_100000210227_100000741521 [0,0,0,1,0,0|3,0,0]=4 8940 B12R1.8 CCCCOCC1CCCOC1 34a_100000741520_100000210210 [0,0,0,1,0,0|3,0,0]=4 8941 B12R1.8 CCCCOCC1CCCOC1 7a_100000210227_100000741521 [0,0,0,1,0,0|3,0,0]=4 8942 B12R1.8 CCCCSCC1CCCCC1 62a_100000210211_100000211423 [0,0,0,1,0,0|2,0,1]=4 8943 B12R1.8 CCCCSCC1CCCCC1 62a_100000211423_100000210210 [0,0,0,1,0,0|2,0,1]=4 8944 B12R1.8 CCCCSCC1CCCCO1 62a_100000210211_100000211543 [0,0,0,1,0,0|1,0,2]=4 8945 B12R1.8 CCCCSCC1CCCCO1 62a_100000211543_100000210210 [0,0,0,1,0,0|1,0,2]=4 8946 B12R1.8 CCCCSCC1CCCOC1 62a_100000210211_100000741521 [0,0,0,1,0,0|3,0,0]=4 8947 B12R1.8 CCCCSCC1CCCOC1 62a_100000741521_100000210210 [0,0,0,1,0,0|3,0,0]=4 8948 B12R1.8 CCCNCCC1CCCCC1 2230a_100000738074_100000210303 [0,0,0,1,0,0|2,0,1]=4 8949 B12R1.8 CCCNCCC1CCCCC1 270004a_100020643023_100011713444 [0,0,0,1,0,0|2,0,1]=4 8950 B12R1.8 CCCNCCC1CCCCC1 34a_100000738074_100000210303 [0,0,0,1,0,0|2,0,1]=4 8951 B12R1.8 CCCNCCC1CCCCO1 2230a_100015183643_100000210303 [0,0,0,1,0,0|1,0,2]=4 8952 B12R1.8 CCCNCCC1CCCCO1 34a_100015183643_100000210303 [0,0,0,1,0,0|1,0,2]=4 8953 B12R1.8 CCCOCCC1CCCCC1 34a_100000210258_100011209188 [0,0,0,1,0,0|2,0,1]=4 8954 B12R1.8 CCCOCCC1CCCCC1 34a_100011217863_100000210303 [0,0,0,1,0,0|2,0,1]=4 8955 B12R1.8 CCCOCCC1CCCCC1 7a_100011217863_100000210303 [0,0,0,1,0,0|2,0,1]=4 8956 B12R1.8 CCCOCCC1CCCCN1 34a_100000211664_100000210303 [0,0,0,1,0,0|2,0,1]=4 8957 B12R1.8 CCCOCCC1CCCNC1 34a_100000752241_100000210303 [0,0,0,1,0,0|3,0,0]=4 8958 B12R1.8 CCCSCCC1CCCCC1 62a_100000210303_100012355289 [0,0,0,1,0,0|2,0,1]=4 8959 B12R1.8 CCCSCCC1CCCCC1 62a_100012355289_100000210303 [0,0,0,1,0,0|2,0,1]=4 8960 B12R1.8 CCNCCCC1CCCCC1 2230a_100011211642_100000210202 [0,0,0,1,0,0|2,0,1]=4 8961 B12R1.8 CCNCCCC1CCCCC1 2230a_100015525214_100011713725 [0,0,0,1,0,0|2,0,1]=4 8962 B12R1.8 CCNCCCC1CCCCC1 34a_100011211642_100000210202 [0,0,0,1,0,0|2,0,1]=4 8963 B12R1.8 CCOCCCC1CCCCC1 34a_100000198086_100000210202 [0,0,0,1,0,0|2,0,1]=4 8964 B12R1.8 CCOCCCC1CCCCC1 34a_100121572206_100011713725 [0,0,0,1,0,0|2,0,1]=4 8965 B12R1.8 CCOCCCC1CCCCC1 7a_100000198086_100000210202 [0,0,0,1,0,0|2,0,1]=4 8966 B12R1.8 CCOCCCC1CCCCN1 34a_100011934581_100000210202 [0,0,0,1,0,0|2,0,1]=4 8967 B12R1.8 CCOCCCC1CCCNC1 34a_100150707839_100000210202 [0,0,0,1,0,0|3,0,0]=4 8968 B12R1.8 CCOCCNC1C=CCCC1 2230a_102516460346_100000751183 [0,0,0,1,0,0|3,0,0]=4 8969 B12R1.8 CCOCCOC1C=CCCC1 34a_100011215024_100000210147 [0,0,0,1,0,0|3,0,0]=4 8970 B12R1.8 CCOCCOC1C=CCCC1 7a_100000210136_100000751183 [0,0,0,1,0,0|3,0,0]=4 8971 B12R1.8 CCOCCSC1C=CCCC1 62a_100000210147_100000751183 [0,0,0,1,0,0|3,0,0]=4 8972 B12R1.8 CCOCCSC1C=CCCC1 62a_100000751183_100011215890 [0,0,0,1,0,0|3,0,0]=4 8973 B12R1.8 CCSCCCC1CCCCC1 62a_100000210202_100011713725 [0,0,0,1,0,0|2,0,1]=4 8974 B12R1.8 CCSCCCC1CCCCC1 62a_100011713725_100000210202 [0,0,0,1,0,0|2,0,1]=4 8975 B12R1.8 CCSCCNC1C=CCCC1 2230a_100000106463_100000751183 [0,0,0,1,0,0|3,0,0]=4 8976 B12R1.8 CCSCCOC1C=CCCC1 34a_100011215024_100000757381 [0,0,0,1,0,0|3,0,0]=4 8977 B12R1.8 CCSCCOC1C=CCCC1 7a_100000212035_100000751183 [0,0,0,1,0,0|3,0,0]=4 8978 B12R1.8 CCSCCSC1C=CCCC1 62a_100000751183_100000757381 [0,0,0,1,0,0|3,0,0]=4 8979 B12R1.8 CCSCCSC1C=CCCC1 62a_100000757381_100000751183 [0,0,0,1,0,0|3,0,0]=4 8980 B12R1.8 CNCCCOC1CCCCC1 34a_100000205933_200000210301 [0,0,0,1,0,0|3,0,0]=4 8981 B12R1.8 CNCCCOC1CCCCC1 34a_100000213112_100000210327 [0,0,0,1,0,0|3,0,0]=4 8982 B12R1.8 COCCCCC1CCCCC1 34a_100011215267_200000210301 [0,0,0,1,0,0|2,0,0]=3 8983 B12R1.8 COCCCCC1CCCCC1 7a_100011215267_200000210301 [0,0,0,1,0,0|2,0,0]=3 8984 B12R1.8 COCCCCC1CCNCC1 34a_100016989291_200000210301 [0,0,0,1,0,0|3,0,0]=4 8985 B12R1.8 COCCCNC1CCCCC1 2230a_100000182618_100000740836 [0,0,0,1,0,0|3,0,0]=4 8986 B12R1.8 COCCCNC1CCCCC1 270004a_100150723488_100000210434 [0,0,0,1,0,0|3,0,0]=4 8987 B12R1.8 COCCCNC1CCCCC1 34a_100000182618_100000740836 [0,0,0,1,0,0|3,0,0]=4 8988 B12R1.8 COCCCNC1CCCCC1 34a_100150723488_100000210327 [0,0,0,1,0,0|3,0,0]=4 8989 B12R1.8 COCCCOC1C=CCCC1 34a_100011215024_100000740836 [0,0,0,1,0,0|3,0,0]=4 8990 B12R1.8 COCCCOC1CCCCC1 34a_100000210231_100000740836 [0,0,0,1,0,0|3,0,0]=4 8991 B12R1.8 COCCCOC1CCCCC1 34a_100000740835_100000210327 [0,0,0,1,0,0|3,0,0]=4 8992 B12R1.8 COCCCOC1CCCCC1 7a_100000210231_100000740836 [0,0,0,1,0,0|3,0,0]=4 8993 B12R1.8 COCCCSC1C=CCCC1 62a_100000709357_100000751183 [0,0,0,1,0,0|3,0,0]=4 8994 B12R1.8 COCCCSC1C=CCCC1 62a_100000751183_100000709357 [0,0,0,1,0,0|3,0,0]=4 8995 B12R1.8 COCCCSC1CCCCC1 62a_100000210327_100000709357 [0,0,0,1,0,0|3,0,0]=4 8996 B12R1.8 COCCCSC1CCCCC1 62a_100000709357_100000210327 [0,0,0,1,0,0|3,0,0]=4 8997 B12R1.8 COCCNCC1CCCCC1 2230a_100000209980_100000211423 [0,0,0,1,0,0|3,0,0]=4 8998 B12R1.8 COCCNCC1CCCCC1 2230a_100000210473_100011201679 [0,0,0,1,0,0|3,0,0]=4 8999 B12R1.8 COCCNCC1CCCCC1 269862a_100000209980_100000211278 [0,0,0,1,0,0|3,0,0]=4 9000 B12R1.8 COCCNCC1CCCCC1 34a_100000210473_100011201679 [0,0,0,1,0,0|3,0,0]=4 9001 B12R1.8 COCCOCC1CCCCC1 34a_100000210237_100000211423 [0,0,0,1,0,0|3,0,0]=4 9002 B12R1.8 COCCOCC1CCCCC1 34a_100000212181_100011201679 [0,0,0,1,0,0|3,0,0]=4 9003 B12R1.8 COCCOCC1CCCCC1 7a_100000212181_100000233755 [0,0,0,1,0,0|3,0,0]=4 9004 B12R1.8 COCCSCC1CCCCC1 62a_100000211423_100000233755 [0,0,0,1,0,0|3,0,0]=4 9005 B12R1.8 COCCSCC1CCCCC1 62a_100000233755_100000211423 [0,0,0,1,0,0|3,0,0]=4 9006 B12R1.8 COCNCCC1CCCCC1 2230a_100000738074_100000766300 [0,0,0,1,0,0|3,0,0]=4 9007 B12R1.8 COCSCCC1CCCCC1 62a_100000766300_100012355289 [0,0,0,1,0,0|3,0,0]=4 9008 B12R1.8 COCSCCC1CCCCC1 62a_100012355289_100000766300 [0,0,0,1,0,0|3,0,0]=4 9009 B12R1.8 CSCCCNC1C=CCCC1 2230a_100000749238_100000751183 [0,0,0,1,0,0|3,0,0]=4 9010 B12R1.8 CSCCCNC1CCCCC1 270004a_100000749238_100000210434 [0,0,0,1,0,0|3,0,0]=4 9011 B12R1.8 CSCCCOC1C=CCCC1 7a_100000690336_100000751183 [0,0,0,1,0,0|3,0,0]=4 9012 B12R1.8 CSCCCOC1CCCCC1 34a_100000690336_100000210327 [0,0,0,1,0,0|3,0,0]=4 9013 B12R1.8 CSCCCOC1CCCCC1 7a_100000690336_100000210327 [0,0,0,1,0,0|3,0,0]=4 9014 B12R1.8 CSCCNCC1CCCCC1 2230a_100000210473_100000751147 [0,0,0,1,0,0|3,0,0]=4 9015 B12R1.8 CSCCNCC1CCCCC1 2230a_100020590264_100000211423 [0,0,0,1,0,0|3,0,0]=4 9016 B12R1.8 CSCCNCC1CCCCC1 269862a_100020590264_100000211278 [0,0,0,1,0,0|3,0,0]=4 9017 B12R1.8 CSCCNCC1CCCCC1 34a_100000210473_100000212216 [0,0,0,1,0,0|3,0,0]=4 9018 B12R1.8 CSCCOCC1CCCCC1 34a_100000212181_100000212216 [0,0,0,1,0,0|3,0,0]=4 9019 B12R1.8 CSCCOCC1CCCCC1 34a_100000230434_100000211423 [0,0,0,1,0,0|3,0,0]=4 9020 B12R1.8 CSCCOCC1CCCCC1 7a_100000212181_100000212216 [0,0,0,1,0,0|3,0,0]=4 9021 B12R1.8 CSCCOCC1CCCCC1 7a_100000230434_100000211423 [0,0,0,1,0,0|3,0,0]=4 9022 B12R1.8 CSCCSCC1CCCCC1 62a_100000211423_100000751147 [0,0,0,1,0,0|3,0,0]=4 9023 B12R1.8 CSCCSCC1CCCCC1 62a_100000212216_100000211423 [0,0,0,1,0,0|3,0,0]=4 9024 B12R1.8 CSCNCCC1CCCCC1 2230a_100000738074_100011218213 [0,0,0,1,0,0|3,0,0]=4 9025 B12R1.8 CSCNCCC1CCCCC1 34a_100000738074_100011218213 [0,0,0,1,0,0|3,0,0]=4 9026 B12R1.8 CSCOCCC1CCCCC1 34a_100011217863_100011218213 [0,0,0,1,0,0|3,0,0]=4 9027 B12R1.8 CSCSCCC1CCCCC1 62a_100011218213_100012355289 [0,0,0,1,0,0|3,0,0]=4 9028 B12R1.8 CSCSCCC1CCCCC1 62a_100012355289_100011218213 [0,0,0,1,0,0|3,0,0]=4 9029 B12R1.8 ClCCCCOC1C=CCCC1 7a_100000210776_100000751183 [0,0,0,1,0,0|3,0,0]=4 9030 B12R1.8 ClCCCCOC1CCCCC1 34a_100000210776_100000210327 [0,0,0,1,0,0|2,0,1]=4 9031 B12R1.8 ClCCCCOC1CCCCC1 7a_100000210776_100000210327 [0,0,0,1,0,0|2,0,1]=4 9032 B12R1.8 ClCCCOCC1CCCCC1 34a_100000230001_100000211423 [0,0,0,1,0,0|2,0,1]=4 9033 B12R1.8 FCCCCNC1CCCCC1 2230a_100000182618_100000729493 [0,0,0,1,0,0|2,0,1]=4 9034 B12R1.8 FCCCCNC1CCCCC1 34a_100000182618_100000729493 [0,0,0,1,0,0|2,0,1]=4 9035 B12R1.8 FCCCCOC1C=CCCC1 34a_100011215024_100000729493 [0,0,0,1,0,0|3,0,0]=4 9036 B12R1.8 FCCCCOC1C=CCCC1 7a_100011995726_100000751183 [0,0,0,1,0,0|3,0,0]=4 9037 B12R1.8 FCCCCOC1CCCCC1 34a_100000210231_100000729493 [0,0,0,1,0,0|2,0,1]=4 9038 B12R1.8 FCCCCOC1CCCCC1 34a_100011995726_100000210327 [0,0,0,1,0,0|2,0,1]=4 9039 B12R1.8 FCCCCOC1CCCCC1 7a_100000210231_100000729493 [0,0,0,1,0,0|2,0,1]=4 9040 B12R1.8 FCCCCOC1CCCCC1 7a_100011995726_100000210327 [0,0,0,1,0,0|2,0,1]=4 9041 B12R1.8 FCCCCSC1C=CCCC1 62a_100000729493_100000751183 [0,0,0,1,0,0|3,0,0]=4 9042 B12R1.8 FCCCCSC1C=CCCC1 62a_100000751183_100000729493 [0,0,0,1,0,0|3,0,0]=4 9043 B12R1.8 FCCCCSC1CCCCC1 62a_100000210327_100000729493 [0,0,0,1,0,0|2,0,1]=4 9044 B12R1.8 FCCCCSC1CCCCC1 62a_100000729493_100000210327 [0,0,0,1,0,0|2,0,1]=4 9045 B12R1.8 FCCCNCC1CCCCC1 2230a_100000210473_100011934791 [0,0,0,1,0,0|2,0,1]=4 9046 B12R1.8 FCCCNCC1CCCCC1 2230a_100015189416_100000211423 [0,0,0,1,0,0|2,0,1]=4 9047 B12R1.8 FCCCNCC1CCCCC1 269862a_100015189416_100000211278 [0,0,0,1,0,0|2,0,1]=4 9048 B12R1.8 FCCCNCC1CCCCC1 34a_100000210473_100011934791 [0,0,0,1,0,0|2,0,1]=4 9049 B12R1.8 FCCCNCC1CCCCC1 34a_100015189416_100000211423 [0,0,0,1,0,0|2,0,1]=4 9050 B12R1.8 FCCCOCC1CCCCC1 34a_100000212181_100011934791 [0,0,0,1,0,0|2,0,1]=4 9051 B12R1.8 FCCCOCC1CCCCC1 34a_100000759539_100000211423 [0,0,0,1,0,0|2,0,1]=4 9052 B12R1.8 FCCCOCC1CCCCC1 7a_100000212181_100011934791 [0,0,0,1,0,0|2,0,1]=4 9053 B12R1.8 FCCCSCC1CCCCC1 62a_100000211423_100011934791 [0,0,0,1,0,0|2,0,1]=4 9054 B12R1.8 FCCCSCC1CCCCC1 62a_100011934791_100000211423 [0,0,0,1,0,0|2,0,1]=4 9055 B12R1.8 FCCNCCC1CCCCC1 2230a_100000738074_100011217306 [0,0,0,1,0,0|2,0,1]=4 9056 B12R1.8 FCCNCCC1CCCCC1 34a_100000724931_100011209188 [0,0,0,1,0,0|2,0,1]=4 9057 B12R1.8 FCCNCCC1CCCCC1 34a_100000738074_100011217306 [0,0,0,1,0,0|2,0,1]=4 9058 B12R1.8 FCCOCCC1CCCCC1 34a_100011217863_100011217306 [0,0,0,1,0,0|2,0,1]=4 9059 B12R1.8 FCCOCCC1CCCCC1 7a_100011217863_100011217306 [0,0,0,1,0,0|2,0,1]=4 9060 B12R1.8 FCCSCCC1CCCCC1 62a_100011217306_100012355289 [0,0,0,1,0,0|2,0,1]=4 9061 B12R1.8 FCCSCCC1CCCCC1 62a_100012355289_100011217306 [0,0,0,1,0,0|2,0,1]=4 9062 B12R1.8 FCNCCCC1CCCCC1 34a_100011211642_100015361967 [0,0,0,1,0,0|2,0,1]=4 9063 B12R1.8 FCOCCCC1CCCCC1 34a_100000198086_100015361967 [0,0,0,1,0,0|2,0,1]=4 9064 B12R1.8 FCOCCCC1CCCCC1 7a_100000198086_100015361967 [0,0,0,1,0,0|2,0,1]=4 9065 B12R1.8 FCSCCCC1CCCCC1 62a_100011713725_100015361967 [0,0,0,1,0,0|2,0,1]=4 9066 B12R1.8 FCSCCCC1CCCCC1 62a_100015361967_100011713725 [0,0,0,1,0,0|2,0,1]=4 9067 B12R1.8 ICCCCOC1CCCCC1 34a_200012148704_100000210327 [0,0,0,1,0,0|2,0,1]=4 9068 B12R1.8 N#CCCCNC1CCCCC1 2230a_100000182618_100000687738 [0,0,0,1,0,0|2,0,1]=4 9069 B12R1.8 N#CCCCOC1CCCCC1 7a_100000210231_100000687738 [0,0,0,1,0,0|2,0,1]=4 9070 B12R1.8 N#CCCCSC1CCCCC1 62a_100000210327_100000687738 [0,0,0,1,0,0|2,0,1]=4 9071 B12R1.8 N#CCCCSC1CCCCC1 62a_100000687738_100000210327 [0,0,0,1,0,0|2,0,1]=4 9072 B12R1.8 N#CCCNCC1CCCCC1 2230a_100000210473_100011215226 [0,0,0,1,0,0|2,0,1]=4 9073 B12R1.8 N#CCCOCC1CCCCC1 7a_100000212181_100000184422 [0,0,0,1,0,0|2,0,1]=4 9074 B12R1.8 N#CCCSCC1CCCCC1 62a_100000211423_100011215226 [0,0,0,1,0,0|2,0,1]=4 9075 B12R1.8 N#CCCSCC1CCCCC1 62a_100011215226_100000211423 [0,0,0,1,0,0|2,0,1]=4 9076 B12R1.8 N#CCNCCC1CCCCC1 2230a_100000738074_100011215382 [0,0,0,1,0,0|2,0,1]=4 9077 B12R1.8 N#CCOCCC1CCCCC1 7a_100011217863_100011215382 [0,0,0,1,0,0|2,0,1]=4 9078 B12R1.8 N#CCSCCC1CCCCC1 62a_100011215382_100012355289 [0,0,0,1,0,0|2,0,1]=4 9079 B12R1.8 N#CCSCCC1CCCCC1 62a_100012355289_100011215382 [0,0,0,1,0,0|2,0,1]=4 9080 B12R1.8 NCCCCOC1CCCCC1 34a_100000750430_100000210327 [0,0,0,1,0,0|2,0,1]=4 9081 B12R1.8 NCCCOCC1CCCCC1 34a_100000182051_100000211423 [0,0,0,1,0,0|2,0,1]=4 9082 B12R1.8 NCCOCCC1CCCCC1 34a_100000210304_100011209188 [0,0,0,1,0,0|2,0,1]=4 9083 B12R1.8 NOCCOCC1CCCCC1 34a_100000700252_100000211423 [0,0,0,1,0,0|3,0,0]=4 9084 B12R1.8 O=CCCCCN1CC=CCC1 2230a_100000698166_100000139335 [0,0,0,1,0,0|1,0,2]=4 9085 B12R1.8 O=CCCCCN1CC=CCC1 269982a_100000698166_100000139335 [0,0,0,1,0,0|1,0,2]=4 9086 B12R1.8 O=CCCCCN1CCCOC1 2230a_100000131196_100000139335 [0,0,0,1,0,0|2,0,0]=3 9087 B12R1.8 O=CCCCCN1CCCOC1 269982a_100000131196_100000139335 [0,0,0,1,0,0|2,0,0]=3 9088 B12R1.8 O=CCCCCN1CCOCC1 2230a_100015191051_100000139335 [0,0,0,1,0,0|2,0,0]=3 9089 B12R1.8 O=CCCCCN1CCOCC1 269982a_100015191051_100000139335 [0,0,0,1,0,0|2,0,0]=3 9090 B12R1.8 O=CCCCCN1CCSCC1 2230a_100000737611_100000139335 [0,0,0,1,0,0|2,0,0]=3 9091 B12R1.8 O=CCCCCN1CCSCC1 269982a_100000737611_100000139335 [0,0,0,1,0,0|2,0,0]=3 9092 B12R1.8 O=CCCCNC1CCCCC1 2230a_100000182618_200011292268 [0,0,0,1,0,0|1,0,0]=2 9093 B12R1.8 O=CCCCNC1CCCOC1 2230a_100000719290_200011292268 [0,0,0,1,0,0|2,0,0]=3 9094 B12R1.8 O=CCCCNC1CCOCC1 2230a_100000741149_200011292268 [0,0,0,1,0,0|2,0,0]=3 9095 B12R1.8 O=CCCCNC1CCSCC1 2230a_100000748639_200011292268 [0,0,0,1,0,0|2,0,0]=3 9096 B12R1.8 O=CCCCOC1CCCCC1 7a_100000210231_200011292268 [0,0,0,1,0,0|1,0,0]=2 9097 B12R1.8 O=CCCCOC1CCCSC1 7a_100015962668_200011292268 [0,0,0,1,0,0|2,0,0]=3 9098 B12R1.8 O=CCCCOC1CCSCC1 7a_100000731022_200011292268 [0,0,0,1,0,0|2,0,0]=3 9099 B12R1.8 O=CCCCSC1C=CCCC1 62a_100000751183_200011292268 [0,0,0,1,0,0|1,0,2]=4 9100 B12R1.8 O=CCCCSC1C=CCCC1 62a_200011292268_100000751183 [0,0,0,1,0,0|1,0,2]=4 9101 B12R1.8 O=CCCCSC1CCCCC1 62a_100000210327_200011292268 [0,0,0,1,0,0|1,0,0]=2 9102 B12R1.8 O=CCCCSC1CCCCC1 62a_200011292268_100000210327 [0,0,0,1,0,0|1,0,0]=2 9103 B12R1.8 O=CCCCSC1CCCOC1 62a_200011292268_100000693364 [0,0,0,1,0,0|2,0,0]=3 9104 B12R1.8 O=CCCCSC1CCOCC1 62a_200011292268_100011324220 [0,0,0,1,0,0|2,0,0]=3 9105 B12R1.8 O=CCCCSC1CCSCC1 62a_200011292268_100000069128 [0,0,0,1,0,0|2,0,0]=3 9106 B12R1.8 O=CCNCCC1=CCCCC1 2230a_100000212019_200015260668 [0,0,0,1,0,0|1,0,2]=4 9107 B12R1.8 O=CCNCCC1=CCCCC1 34a_100000212019_200009817547 [0,0,0,1,0,0|1,0,2]=4 9108 B12R1.8 O=CCNCCC1CCCCC1 2230a_100000738074_200015260668 [0,0,0,1,0,0|1,0,0]=2 9109 B12R1.8 O=CCNCCC1CCCCC1 34a_100000738074_200009817547 [0,0,0,1,0,0|1,0,0]=2 9110 B12R1.8 O=CCNCCC1CCCCO1 2230a_100015183643_200015260668 [0,0,0,1,0,0|2,0,0]=3 9111 B12R1.8 O=CCNCCC1CCCCO1 34a_100015183643_200009817547 [0,0,0,1,0,0|2,0,0]=3 9112 B12R1.8 O=CCNCCC1CCOCC1 2230a_100000755988_200015260668 [0,0,0,1,0,0|2,0,0]=3 9113 B12R1.8 O=CCNCCC1CCOCC1 34a_100000755988_200009817547 [0,0,0,1,0,0|2,0,0]=3 9114 B12R1.8 O=CCNCCN1CCSCC1 2230a_100000755026_200015260668 [0,0,0,1,0,0|3,0,0]=4 9115 B12R1.8 O=CCOCCC1CCCCC1 34a_100011217863_200009817547 [0,0,0,1,0,0|1,0,0]=2 9116 B12R1.8 O=CCOCCC1CCCCC1 7a_100011217863_200015260668 [0,0,0,1,0,0|1,0,0]=2 9117 B12R1.8 O=CCOCCC1CCCCN1 34a_100000211664_200009817547 [0,0,0,1,0,0|2,0,0]=3 9118 B12R1.8 O=CCOCCC1CCCNC1 34a_100000752241_200009817547 [0,0,0,1,0,0|2,0,0]=3 9119 B12R1.8 O=CCOCCC1CCNCC1 34a_100015190746_200009817547 [0,0,0,1,0,0|2,0,0]=3 9120 B12R1.8 O=CCOCCC1CCOCC1 34a_100011933979_200009817547 [0,0,0,1,0,0|2,0,0]=3 9121 B12R1.8 O=CCOCCC1CCOCC1 7a_100011933979_200015260668 [0,0,0,1,0,0|2,0,0]=3 9122 B12R1.8 O=CCOCCC1SCCCS1 34a_200011025297_200009817547 [0,0,0,1,0,0|3,0,0]=4 9123 B12R1.8 O=CCOCCC1SCCCS1 7a_200011025297_200015260668 [0,0,0,1,0,0|3,0,0]=4 9124 B12R1.8 O=CCOCCN1CCSCC1 7a_100000686052_200015260668 [0,0,0,1,0,0|3,0,0]=4 9125 B12R1.8 O=CCOCC[C@@H]1CNCCN1 34a_100016989929_200009817547 [0,0,0,1,0,0|3,0,0]=4 9126 B12R1.8 O=CCSCCC1CCCCC1 62a_100012355289_200015260668 [0,0,0,1,0,0|1,0,0]=2 9127 B12R1.8 O=CCSCCC1CCCCC1 62a_200015260668_100012355289 [0,0,0,1,0,0|1,0,0]=2 9128 B12R1.8 O=CCSCCC1CCOCC1 62a_100011934994_200015260668 [0,0,0,1,0,0|2,0,0]=3 9129 B12R1.8 O=CCSCCC1CCOCC1 62a_200015260668_100011934994 [0,0,0,1,0,0|2,0,0]=3 9130 B12R1.8 O=CCSCCC1OCCCO1 62a_100000764188_200015260668 [0,0,0,1,0,0|3,0,0]=4 9131 B12R1.8 O=CCSCCC1OCCCO1 62a_200015260668_100000764188 [0,0,0,1,0,0|3,0,0]=4 9132 B12R1.8 O=CCSCCN1CCCCC1 62a_100000739454_200015260668 [0,0,0,1,0,0|2,0,0]=3 9133 B12R1.8 O=CCSCCN1CCCCC1 62a_200015260668_100000739454 [0,0,0,1,0,0|2,0,0]=3 9134 B12R1.8 O=CCSCCN1CCOCC1 62a_200015260668_100000211760 [0,0,0,1,0,0|3,0,0]=4 9135 B12R1.8 O=CCSCOC1CCCCC1 62a_100011935260_200015260668 [0,0,0,1,0,0|2,0,0]=3 9136 B12R1.8 O=CCSCOC1CCCCC1 62a_200015260668_100011935260 [0,0,0,1,0,0|2,0,0]=3 9137 B12R1.8 OCCCCNC1C=CCCC1 2230a_100000750430_100000751183 [0,0,0,1,0,0|3,0,0]=4 9138 B12R1.8 OCCCCNC1CCCCC1 2230a_100000182618_100000210776 [0,0,0,1,0,0|1,0,2]=4 9139 B12R1.8 OCCCCNC1CCCCC1 270004a_100000750430_100000210434 [0,0,0,1,0,0|1,0,2]=4 9140 B12R1.8 OCCCCNC1CCCCC1 34a_100000182618_100011216708 [0,0,0,1,0,0|1,0,2]=4 9141 B12R1.8 OCCCCNC1CCCCC1 34a_100000750430_100000210327 [0,0,0,1,0,0|1,0,2]=4 9142 B12R1.8 OCCCCOC1C=CCCC1 34a_100011215024_100011216708 [0,0,0,1,0,0|3,0,0]=4 9143 B12R1.8 OCCCCOC1CCCCC1 34a_100000210231_100011216708 [0,0,0,1,0,0|1,0,2]=4 9144 B12R1.8 OCCCCOC1CCCCC1 7a_100000210231_100000210776 [0,0,0,1,0,0|1,0,2]=4 9145 B12R1.8 OCCCCSC1C=CCCC1 62a_100000210776_100000751183 [0,0,0,1,0,0|3,0,0]=4 9146 B12R1.8 OCCCCSC1C=CCCC1 62a_100000751183_100000210776 [0,0,0,1,0,0|3,0,0]=4 9147 B12R1.8 OCCCCSC1CCCCC1 62a_100000210327_100000210776 [0,0,0,1,0,0|1,0,2]=4 9148 B12R1.8 OCCCCSC1CCCCC1 62a_100000210776_100000210327 [0,0,0,1,0,0|1,0,2]=4 9149 B12R1.8 OCCCNCC1CCCCC1 2230a_100000210473_100000230001 [0,0,0,1,0,0|1,0,2]=4 9150 B12R1.8 OCCCNCC1CCCCC1 269862a_100000182051_100000211278 [0,0,0,1,0,0|1,0,2]=4 9151 B12R1.8 OCCCNCC1CCCCC1 34a_100000210473_100000230001 [0,0,0,1,0,0|1,0,2]=4 9152 B12R1.8 OCCCOCC1CCCCC1 34a_100000212181_100000230001 [0,0,0,1,0,0|1,0,2]=4 9153 B12R1.8 OCCCOCC1CCCCC1 7a_100000212181_100011215043 [0,0,0,1,0,0|1,0,2]=4 9154 B12R1.8 OCCCSCC1CCCCC1 62a_100000211423_100011215043 [0,0,0,1,0,0|1,0,2]=4 9155 B12R1.8 OCCCSCC1CCCCC1 62a_100011215043_100000211423 [0,0,0,1,0,0|1,0,2]=4 9156 B12R1.8 OCCNCCC1CCCCC1 2230a_100000738074_100000211926 [0,0,0,1,0,0|1,0,2]=4 9157 B12R1.8 OCCNCCC1CCCCC1 2230a_100016997473_100012355289 [0,0,0,1,0,0|1,0,2]=4 9158 B12R1.8 OCCNCCC1CCCCC1 270004a_100000210304_100011713444 [0,0,0,1,0,0|1,0,2]=4 9159 B12R1.8 OCCNCCC1CCCCC1 34a_100000738074_100000211926 [0,0,0,1,0,0|1,0,2]=4 9160 B12R1.8 OCCNCCC1CCCCC1 34a_100016990907_100011209188 [0,0,0,1,0,0|1,0,2]=4 9161 B12R1.8 OCCOCCC1CCCCC1 34a_100011217863_100000211926 [0,0,0,1,0,0|1,0,2]=4 9162 B12R1.8 OCCOCCC1CCCCC1 7a_100011217863_100000211926 [0,0,0,1,0,0|1,0,2]=4 9163 B12R1.8 OCCSCCC1CCCCC1 62a_100000211926_100012355289 [0,0,0,1,0,0|1,0,2]=4 9164 B12R1.8 OCCSCCC1CCCCC1 62a_100012355289_100000211926 [0,0,0,1,0,0|1,0,2]=4 9165 B12R1.8 [13CH3]NCCCOC1CCCCC1 34a_100000205933_200025704644 [0,0,0,1,0,0|3,0,0]=4 9166 B12R1.8 [13CH3]OCCCCC1CCCCC1 34a_100011215267_200025704644 [0,0,0,1,0,0|2,0,0]=3 9167 B12R1.8 [13CH3]OCCCCC1CCCCC1 7a_100011215267_200025704644 [0,0,0,1,0,0|2,0,0]=3 9168 B12R1.8 [13CH3]OCCCCC1CCNCC1 34a_100016989291_200025704644 [0,0,0,1,0,0|3,0,0]=4 9169 B12R1.18 C#CCSC1CCCCCC1=O 62a_100000038162_100000243696 [0,0,0,1,0,0|1,0,2]=4 9170 B12R1.18 C=CCSC1CCCCCC1=O 62a_100000210623_100000243696 [0,0,0,1,0,0|1,0,2]=4 9171 B12R1.18 C=CCSC1CCCCCC1=O 62a_100000243696_100000210623 [0,0,0,1,0,0|1,0,2]=4 9172 B12R1.18 CCCNC1CCCCNC1=O 2230a_100000698827_100000210303 [0,0,0,1,0,0|2,0,0]=3 9173 B12R1.18 CCCNC1CCCCNC1=O 34a_100000698827_100000210303 [0,0,0,1,0,0|2,0,0]=3 9174 B12R1.18 CCCSC1CCCCCC1=O 62a_100000210303_100000243696 [0,0,0,1,0,0|1,0,0]=2 9175 B12R1.18 CCCSC1CCCCCC1=O 62a_100000243696_100000210303 [0,0,0,1,0,0|1,0,0]=2 9176 B12R1.18 CCCSC1CCCCNC1=O 62a_100000210303_100000735217 [0,0,0,1,0,0|2,0,0]=3 9177 B12R1.18 CCCSC1CCCCNC1=O 62a_100000735217_100000210303 [0,0,0,1,0,0|2,0,0]=3 9178 B12R1.18 COCNC1CCCCNC1=O 2230a_100000698827_100000766300 [0,0,0,1,0,0|3,0,0]=4 9179 B12R1.18 COCSC1CCCCCC1=O 62a_100000243696_100000766300 [0,0,0,1,0,0|2,0,0]=3 9180 B12R1.18 COCSC1CCCCCC1=O 62a_100000766300_100000243696 [0,0,0,1,0,0|2,0,0]=3 9181 B12R1.18 COCSC1CCCCNC1=O 62a_100000735217_100000766300 [0,0,0,1,0,0|3,0,0]=4 9182 B12R1.18 COCSC1CCCCNC1=O 62a_100000766300_100000735217 [0,0,0,1,0,0|3,0,0]=4 9183 B12R1.18 CSCNC1CCCCNC1=O 2230a_100000698827_100011218213 [0,0,0,1,0,0|3,0,0]=4 9184 B12R1.18 CSCNC1CCCCNC1=O 34a_100000698827_100011218213 [0,0,0,1,0,0|3,0,0]=4 9185 B12R1.18 CSCSC1CCCCCC1=O 62a_100000243696_100011218213 [0,0,0,1,0,0|2,0,0]=3 9186 B12R1.18 CSCSC1CCCCCC1=O 62a_100011218213_100000243696 [0,0,0,1,0,0|2,0,0]=3 9187 B12R1.18 CSCSC1CCCCNC1=O 62a_100000735217_100011218213 [0,0,0,1,0,0|3,0,0]=4 9188 B12R1.18 CSCSC1CCCCNC1=O 62a_100011218213_100000735217 [0,0,0,1,0,0|3,0,0]=4 9189 B12R1.18 N#CCSC1CCCCCC1=O 62a_100000243696_100011215382 [0,0,0,1,0,0|2,0,1]=4 9190 B12R1.18 N#CCSC1CCCCCC1=O 62a_100011215382_100000243696 [0,0,0,1,0,0|2,0,1]=4 9191 B12R1.18 O=C1CCCCCC1SCCF 62a_100000243696_100011217306 [0,0,0,1,0,0|2,0,0]=3 9192 B12R1.18 O=C1CCCCCC1SCCF 62a_100011217306_100000243696 [0,0,0,1,0,0|2,0,0]=3 9193 B12R1.18 O=C1CCCCCC1SCCO 62a_100000211926_100000243696 [0,0,0,1,0,0|2,0,0]=3 9194 B12R1.18 O=C1CCCCCC1SCCO 62a_100000243696_100000211926 [0,0,0,1,0,0|2,0,0]=3 9195 B12R1.18 O=C1NCCCCC1NCCF 2230a_100000698827_100011217306 [0,0,0,1,0,0|3,0,0]=4 9196 B12R1.18 O=C1NCCCCC1NCCF 34a_100000698827_100011217306 [0,0,0,1,0,0|3,0,0]=4 9197 B12R1.18 O=C1NCCCCC1NCCO 2230a_100000698827_100000211926 [0,0,0,1,0,0|3,0,0]=4 9198 B12R1.18 O=C1NCCCCC1NCCO 2230a_100016997473_100000735217 [0,0,0,1,0,0|3,0,0]=4 9199 B12R1.18 O=C1NCCCCC1NCCO 34a_100000698827_100000211926 [0,0,0,1,0,0|3,0,0]=4 9200 B12R1.18 O=C1NCCCCC1SCCF 62a_100000735217_100011217306 [0,0,0,1,0,0|3,0,0]=4 9201 B12R1.18 O=C1NCCCCC1SCCF 62a_100011217306_100000735217 [0,0,0,1,0,0|3,0,0]=4 9202 B12R1.18 O=C1NCCCCC1SCCO 62a_100000211926_100000735217 [0,0,0,1,0,0|3,0,0]=4 9203 B12R1.18 O=C1NCCCCC1SCCO 62a_100000735217_100000211926 [0,0,0,1,0,0|3,0,0]=4 9204 B12R1.18 O=CCSC1CCCCCC1=O 62a_100000243696_200015260668 [0,0,0,1,0,0|2,0,1]=4 9205 B12R1.18 O=CCSC1CCCCCC1=O 62a_200015260668_100000243696 [0,0,0,1,0,0|2,0,1]=4 9206 B12R1.37 BrCCCCCOC1CCCC1 34a_100000746331_100000179811 [0,0,0,1,0,0|2,0,1]=4 9207 B12R1.37 BrCCCCCOC1CCCC1 7a_100000746331_100000179811 [0,0,0,1,0,0|2,0,1]=4 9208 B12R1.37 BrCCCCOCC1CCCC1 34a_100011216708_100000740388 [0,0,0,1,0,0|2,0,1]=4 9209 B12R1.37 BrCCCOCCC1CCCC1 34a_100011217188_100000760354 [0,0,0,1,0,0|2,0,1]=4 9210 B12R1.37 BrCCOCCCC1CCCC1 34a_100000211926_100011713738 [0,0,0,1,0,0|2,0,1]=4 9211 B12R1.37 C#CCCCCCN1CCCC1 2230a_100000188435_100012094781 [0,0,0,1,0,0|2,0,1]=4 9212 B12R1.37 C#CCCCCCN1CCCC1 269982a_100000188435_100012094781 [0,0,0,1,0,0|2,0,1]=4 9213 B12R1.37 C#CCCCCNC1CCCC1 2230a_100000211070_100010269958 [0,0,0,1,0,0|2,0,1]=4 9214 B12R1.37 C#CCCCCNC1CCCC1 2230a_100000706060_100000179811 [0,0,0,1,0,0|2,0,1]=4 9215 B12R1.37 C#CCCCCNC1CCCC1 34a_100000211070_100010269958 [0,0,0,1,0,0|2,0,1]=4 9216 B12R1.37 C#CCCCCNC1CCCC1 34a_100000706060_100000179811 [0,0,0,1,0,0|2,0,1]=4 9217 B12R1.37 C#CCCCCOC1CCCC1 34a_100000210269_100010269958 [0,0,0,1,0,0|2,0,1]=4 9218 B12R1.37 C#CCCCCOC1CCCC1 34a_100000766709_100000179811 [0,0,0,1,0,0|2,0,1]=4 9219 B12R1.37 C#CCCCCOC1CCCC1 7a_100000210269_100010269958 [0,0,0,1,0,0|2,0,1]=4 9220 B12R1.37 C#CCCCCOC1CCCC1 7a_100000766709_100000179811 [0,0,0,1,0,0|2,0,1]=4 9221 B12R1.37 C#CCCCCSC1CCCC1 62a_100010269958_100000179811 [0,0,0,1,0,0|2,0,1]=4 9222 B12R1.37 C#CCCCCSC1CCCC1 62a_100011217020_100010269958 [0,0,0,1,0,0|2,0,1]=4 9223 B12R1.37 C#CCCCNCC1CCCC1 2230a_100000737975_100000731252 [0,0,0,1,0,0|2,0,1]=4 9224 B12R1.37 C#CCCCNCC1CCCC1 34a_100000718082_100000740388 [0,0,0,1,0,0|2,0,1]=4 9225 B12R1.37 C#CCCCNCC1CCCC1 34a_100000737975_100000695029 [0,0,0,1,0,0|2,0,1]=4 9226 B12R1.37 C#CCCCOCC1CCCC1 34a_100000215630_100000740388 [0,0,0,1,0,0|2,0,1]=4 9227 B12R1.37 C#CCCCOCC1CCCC1 34a_100000742336_100000695029 [0,0,0,1,0,0|2,0,1]=4 9228 B12R1.37 C#CCCCOCC1CCCC1 7a_100000215630_100000740388 [0,0,0,1,0,0|2,0,1]=4 9229 B12R1.37 C#CCCCOCC1CCCC1 7a_100000742336_100011215417 [0,0,0,1,0,0|2,0,1]=4 9230 B12R1.37 C#CCCCSCC1CCCC1 62a_100000740388_100011215417 [0,0,0,1,0,0|2,0,1]=4 9231 B12R1.37 C#CCCCSCC1CCCC1 62a_100011215417_100000740388 [0,0,0,1,0,0|2,0,1]=4 9232 B12R1.37 C#CCCNCCC1CCCC1 2230a_100000739158_100000688953 [0,0,0,1,0,0|2,0,1]=4 9233 B12R1.37 C#CCCNCCC1CCCC1 34a_100000739158_100000688953 [0,0,0,1,0,0|2,0,1]=4 9234 B12R1.37 C#CCCNCCC1CCCC1 34a_100000755551_100000760354 [0,0,0,1,0,0|2,0,1]=4 9235 B12R1.37 C#CCCOCCC1CCCC1 34a_100000749090_100000688953 [0,0,0,1,0,0|2,0,1]=4 9236 B12R1.37 C#CCCOCCC1CCCC1 34a_100011215631_100000760354 [0,0,0,1,0,0|2,0,1]=4 9237 B12R1.37 C#CCCOCCC1CCCC1 7a_100000749090_100000688953 [0,0,0,1,0,0|2,0,1]=4 9238 B12R1.37 C#CCCSCCC1CCCC1 62a_100000688953_100000760354 [0,0,0,1,0,0|2,0,1]=4 9239 B12R1.37 C#CCCSCCC1CCCC1 62a_100000760354_100000688953 [0,0,0,1,0,0|2,0,1]=4 9240 B12R1.37 C#CCNCCCC1CCCC1 2230a_100000736752_100000038162 [0,0,0,1,0,0|2,0,1]=4 9241 B12R1.37 C#CCNCCCC1CCCC1 34a_100000212058_100011713738 [0,0,0,1,0,0|2,0,1]=4 9242 B12R1.37 C#CCNCCCC1CCCC1 34a_100000736752_100000184674 [0,0,0,1,0,0|2,0,1]=4 9243 B12R1.37 C#CCOCCCC1CCCC1 34a_100000210247_100011713738 [0,0,0,1,0,0|2,0,1]=4 9244 B12R1.37 C#CCOCCCC1CCCC1 34a_100011215328_100000184674 [0,0,0,1,0,0|2,0,1]=4 9245 B12R1.37 C#CCOCCCC1CCCC1 7a_100011215328_100000038162 [0,0,0,1,0,0|2,0,1]=4 9246 B12R1.37 C#CCSCCCC1CCCC1 62a_100000038162_100011713738 [0,0,0,1,0,0|2,0,1]=4 9247 B12R1.37 C/C=C/CCOCC1CCCC1 34a_100016278192_100000740388 [0,0,0,1,0,0|2,0,1]=4 9248 B12R1.37 C/C=C/CNCCC1CCCC1 34a_100000739158_100102629194 [0,0,0,1,0,0|2,0,1]=4 9249 B12R1.37 C/C=C/COCCC1CCCC1 34a_100000749090_100102629194 [0,0,0,1,0,0|2,0,1]=4 9250 B12R1.37 C/C=C/COCCC1CCCC1 34a_100016270725_100000760354 [0,0,0,1,0,0|2,0,1]=4 9251 B12R1.37 C/C=C/COCCC1CCCC1 7a_100000749090_100102629194 [0,0,0,1,0,0|2,0,1]=4 9252 B12R1.37 C/C=C/CSCCC1CCCC1 62a_100000760354_100102629194 [0,0,0,1,0,0|2,0,1]=4 9253 B12R1.37 C/C=C/CSCCC1CCCC1 62a_100102629194_100000760354 [0,0,0,1,0,0|2,0,1]=4 9254 B12R1.37 C=CCCCCCN1CCCC1 2230a_100000188435_100000700193 [0,0,0,1,0,0|2,0,0]=3 9255 B12R1.37 C=CCCCCCN1CCCC1 269982a_100000188435_100000700193 [0,0,0,1,0,0|2,0,0]=3 9256 B12R1.37 C=CCCCCCN1CCSC1 2230a_100011215254_100000700193 [0,0,0,1,0,0|3,0,0]=4 9257 B12R1.37 C=CCCCCCN1CCSC1 269982a_100011215254_100000700193 [0,0,0,1,0,0|3,0,0]=4 9258 B12R1.37 C=CCCCCNC1CCCC1 2230a_100000211070_100011215482 [0,0,0,1,0,0|2,0,0]=3 9259 B12R1.37 C=CCCCCNC1CCCC1 2230a_100000703577_100000179811 [0,0,0,1,0,0|2,0,0]=3 9260 B12R1.37 C=CCCCCNC1CCCC1 270004a_100000703577_100000210133 [0,0,0,1,0,0|2,0,0]=3 9261 B12R1.37 C=CCCCCNC1CCCC1 34a_100000211070_100011215482 [0,0,0,1,0,0|2,0,0]=3 9262 B12R1.37 C=CCCCCNC1CCCC1 34a_100000703577_100000179811 [0,0,0,1,0,0|2,0,0]=3 9263 B12R1.37 C=CCCCCNC1CCOC1 2230a_100000703577_100000731011 [0,0,0,1,0,0|3,0,0]=4 9264 B12R1.37 C=CCCCCNC1CCOC1 270004a_100000703577_100000752484 [0,0,0,1,0,0|3,0,0]=4 9265 B12R1.37 C=CCCCCNC1CCOC1 34a_100000703577_100000690089 [0,0,0,1,0,0|3,0,0]=4 9266 B12R1.37 C=CCCCCNC1CCSC1 270004a_100000703577_100000212027 [0,0,0,1,0,0|3,0,0]=4 9267 B12R1.37 C=CCCCCN[C@@H]1CCOC1 2230a_200015188469_100011215482 [0,0,0,1,0,0|3,0,0]=4 9268 B12R1.37 C=CCCCCN[C@H]1CCOC1 2230a_100015188467_100011215482 [0,0,0,1,0,0|3,0,0]=4 9269 B12R1.37 C=CCCCCN[C@H]1CCOC1 34a_100015188467_100011215482 [0,0,0,1,0,0|3,0,0]=4 9270 B12R1.37 C=CCCCCOC1CCCC1 34a_100000210269_100011215482 [0,0,0,1,0,0|2,0,0]=3 9271 B12R1.37 C=CCCCCOC1CCCC1 34a_100000766645_100000179811 [0,0,0,1,0,0|2,0,0]=3 9272 B12R1.37 C=CCCCCOC1CCCC1 7a_100000210269_100011215482 [0,0,0,1,0,0|2,0,0]=3 9273 B12R1.37 C=CCCCCOC1CCCC1 7a_100000766645_100000179811 [0,0,0,1,0,0|2,0,0]=3 9274 B12R1.37 C=CCCCCOC1CCCO1 34a_100000085407_100011215482 [0,0,0,1,0,0|3,0,0]=4 9275 B12R1.37 C=CCCCCOC1CCOC1 34a_100000766645_100000690089 [0,0,0,1,0,0|3,0,0]=4 9276 B12R1.37 C=CCCCCOC1CCOC1 7a_100000766645_100000731011 [0,0,0,1,0,0|3,0,0]=4 9277 B12R1.37 C=CCCCCOC1CCSC1 7a_100011232664_100011215482 [0,0,0,1,0,0|3,0,0]=4 9278 B12R1.37 C=CCCCCO[C@H]1CCOC1 34a_100000717292_100011215482 [0,0,0,1,0,0|3,0,0]=4 9279 B12R1.37 C=CCCCCSC1CCCC1 62a_100011215482_100000179811 [0,0,0,1,0,0|2,0,0]=3 9280 B12R1.37 C=CCCCCSC1CCCC1 62a_100011217020_100011215482 [0,0,0,1,0,0|2,0,0]=3 9281 B12R1.37 C=CCCCCSC1CCOC1 62a_100011215482_100000690089 [0,0,0,1,0,0|3,0,0]=4 9282 B12R1.37 C=CCCCNCC1CCCC1 2230a_100000700776_100000740388 [0,0,0,1,0,0|2,0,0]=3 9283 B12R1.37 C=CCCCNCC1CCCC1 2230a_100000737975_100011713584 [0,0,0,1,0,0|2,0,0]=3 9284 B12R1.37 C=CCCCNCC1CCCC1 269862a_100000700776_100000746403 [0,0,0,1,0,0|2,0,0]=3 9285 B12R1.37 C=CCCCNCC1CCCC1 34a_100000700776_100000740388 [0,0,0,1,0,0|2,0,0]=3 9286 B12R1.37 C=CCCCNCC1CCCC1 34a_100000737975_100000757094 [0,0,0,1,0,0|2,0,0]=3 9287 B12R1.37 C=CCCCNCC1CCCO1 2230a_100000700776_100000203698 [0,0,0,1,0,0|3,0,0]=4 9288 B12R1.37 C=CCCCNCC1CCOC1 2230a_100000700776_100000702531 [0,0,0,1,0,0|3,0,0]=4 9289 B12R1.37 C=CCCCNCC1CCOC1 2230a_100000737293_100011713584 [0,0,0,1,0,0|3,0,0]=4 9290 B12R1.37 C=CCCCNCC1CCOC1 34a_100000700776_100011261433 [0,0,0,1,0,0|3,0,0]=4 9291 B12R1.37 C=CCCCNCC1CCOC1 34a_100000737293_100000757094 [0,0,0,1,0,0|3,0,0]=4 9292 B12R1.37 C=CCCCNC[C@@H]1CCCO1 2230a_100020590478_100011713584 [0,0,0,1,0,0|3,0,0]=4 9293 B12R1.37 C=CCCCNC[C@@H]1CCCO1 34a_100020590478_100000757094 [0,0,0,1,0,0|3,0,0]=4 9294 B12R1.37 C=CCCCOCC1CCCC1 34a_100000742336_100000757094 [0,0,0,1,0,0|2,0,0]=3 9295 B12R1.37 C=CCCCOCC1CCCC1 34a_100000758997_100000740388 [0,0,0,1,0,0|2,0,0]=3 9296 B12R1.37 C=CCCCOCC1CCCC1 7a_100000742336_100000757094 [0,0,0,1,0,0|2,0,0]=3 9297 B12R1.37 C=CCCCOCC1CCCC1 7a_100000758997_100000740388 [0,0,0,1,0,0|2,0,0]=3 9298 B12R1.37 C=CCCCOCC1CCCO1 34a_100000210270_100000757094 [0,0,0,1,0,0|3,0,0]=4 9299 B12R1.37 C=CCCCOCC1CCCO1 7a_100000210270_100000757094 [0,0,0,1,0,0|3,0,0]=4 9300 B12R1.37 C=CCCCOCC1CCCO1 7a_100000758997_100000203698 [0,0,0,1,0,0|3,0,0]=4 9301 B12R1.37 C=CCCCOCC1CCNC1 34a_100000748654_100000757094 [0,0,0,1,0,0|3,0,0]=4 9302 B12R1.37 C=CCCCOCC1CCOC1 34a_100000740260_100000757094 [0,0,0,1,0,0|3,0,0]=4 9303 B12R1.37 C=CCCCOCC1CCOC1 34a_100000758997_100011261433 [0,0,0,1,0,0|3,0,0]=4 9304 B12R1.37 C=CCCCOCC1CCOC1 7a_100000758997_100000702531 [0,0,0,1,0,0|3,0,0]=4 9305 B12R1.37 C=CCCCOC[C@H]1CCCN1 34a_100000745186_100000757094 [0,0,0,1,0,0|3,0,0]=4 9306 B12R1.37 C=CCCCSCC1CCCC1 62a_100000740388_100000757094 [0,0,0,1,0,0|2,0,0]=3 9307 B12R1.37 C=CCCCSCC1CCCC1 62a_100011713584_100000740388 [0,0,0,1,0,0|2,0,0]=3 9308 B12R1.37 C=CCCCSCC1CCCO1 62a_100000203698_100000757094 [0,0,0,1,0,0|3,0,0]=4 9309 B12R1.37 C=CCCCSCC1CCCO1 62a_100011713584_100000203698 [0,0,0,1,0,0|3,0,0]=4 9310 B12R1.37 C=CCCCSCC1CCOC1 62a_100000702531_100000757094 [0,0,0,1,0,0|3,0,0]=4 9311 B12R1.37 C=CCCCSCC1CCOC1 62a_100011713584_100000702531 [0,0,0,1,0,0|3,0,0]=4 9312 B12R1.37 C=CCCNCCC1CCCC1 2230a_100000739158_100000754431 [0,0,0,1,0,0|2,0,0]=3 9313 B12R1.37 C=CCCNCCC1CCCC1 2230a_100015191253_100000760354 [0,0,0,1,0,0|2,0,0]=3 9314 B12R1.37 C=CCCNCCC1CCCC1 34a_100000739158_100000754431 [0,0,0,1,0,0|2,0,0]=3 9315 B12R1.37 C=CCCOCCC1CCCC1 34a_100000749090_100000754431 [0,0,0,1,0,0|2,0,0]=3 9316 B12R1.37 C=CCCOCCC1CCCC1 34a_100011205117_100000760354 [0,0,0,1,0,0|2,0,0]=3 9317 B12R1.37 C=CCCOCCC1CCCC1 7a_100000749090_100000754431 [0,0,0,1,0,0|2,0,0]=3 9318 B12R1.37 C=CCCOCCC1CCNC1 34a_100016987287_100000754431 [0,0,0,1,0,0|3,0,0]=4 9319 B12R1.37 C=CCCOCCC1CCOC1 34a_100011879284_100000754431 [0,0,0,1,0,0|3,0,0]=4 9320 B12R1.37 C=CCCSCCC1CCCC1 62a_100000754431_100000760354 [0,0,0,1,0,0|2,0,0]=3 9321 B12R1.37 C=CCCSCCC1CCCC1 62a_100000760354_100000754431 [0,0,0,1,0,0|2,0,0]=3 9322 B12R1.37 C=CCCSCCN1CCCC1 62a_100000700749_100000754431 [0,0,0,1,0,0|3,0,0]=4 9323 B12R1.37 C=CCCSCCN1CCCC1 62a_100000754431_100000004467 [0,0,0,1,0,0|3,0,0]=4 9324 B12R1.37 C=CCNCCCC1CCCC1 2230a_100000736752_100000210623 [0,0,0,1,0,0|2,0,0]=3 9325 B12R1.37 C=CCNCCCC1CCCC1 2230a_100020586998_100011713738 [0,0,0,1,0,0|2,0,0]=3 9326 B12R1.37 C=CCNCCCC1CCCC1 34a_100000736752_100015514636 [0,0,0,1,0,0|2,0,0]=3 9327 B12R1.37 C=CCNCCCN1CCCC1 2230a_100020586998_100011445909 [0,0,0,1,0,0|3,0,0]=4 9328 B12R1.37 C=CCNCCOC1CCCC1 34a_100000741755_100015514636 [0,0,0,1,0,0|3,0,0]=4 9329 B12R1.37 C=CCOCCCC1CCCC1 34a_100011215328_100015514636 [0,0,0,1,0,0|2,0,0]=3 9330 B12R1.37 C=CCOCCCC1CCCC1 34a_200000210373_100011713738 [0,0,0,1,0,0|2,0,0]=3 9331 B12R1.37 C=CCOCCCC1CCCC1 7a_100011215328_100015514636 [0,0,0,1,0,0|2,0,0]=3 9332 B12R1.37 C=CCOCCCN1CCCC1 34a_200000210373_100016991639 [0,0,0,1,0,0|3,0,0]=4 9333 B12R1.37 C=CCOCCNC1CCCC1 34a_200000200444_100015514636 [0,0,0,1,0,0|3,0,0]=4 9334 B12R1.37 C=CCOCCOC1CCCC1 34a_100000037705_100000179811 [0,0,0,1,0,0|3,0,0]=4 9335 B12R1.37 C=CCOCCOC1CCCC1 34a_100000738311_100015514636 [0,0,0,1,0,0|3,0,0]=4 9336 B12R1.37 C=CCOCCOC1CCCC1 7a_100000037705_100000179811 [0,0,0,1,0,0|3,0,0]=4 9337 B12R1.37 C=CCOCCOC1CCCC1 7a_100000738311_100015514636 [0,0,0,1,0,0|3,0,0]=4 9338 B12R1.37 C=CCSCCCC1CCCC1 62a_100000210623_100011713738 [0,0,0,1,0,0|2,0,0]=3 9339 B12R1.37 C=CCSCCCC1CCCC1 62a_100011713738_100000210623 [0,0,0,1,0,0|2,0,0]=3 9340 B12R1.37 C=CCSCCCN1CCCC1 62a_100000210623_100011445909 [0,0,0,1,0,0|3,0,0]=4 9341 B12R1.37 C=CCSCCCN1CCCC1 62a_100016991639_100000210623 [0,0,0,1,0,0|3,0,0]=4 9342 B12R1.37 C=COCCCNC1CCCC1 2230a_100000210767_100000179811 [0,0,0,1,0,0|3,0,0]=4 9343 B12R1.37 C=COCCCNC1CCCC1 270004a_100000210767_100000210133 [0,0,0,1,0,0|3,0,0]=4 9344 B12R1.37 C=COCCCNC1CCCC1 34a_100000210767_100000179811 [0,0,0,1,0,0|3,0,0]=4 9345 B12R1.37 C=COCCNCC1CCCC1 2230a_100000737975_100000039644 [0,0,0,1,0,0|3,0,0]=4 9346 B12R1.37 C=COCCNCC1CCCC1 34a_100000737975_100000039644 [0,0,0,1,0,0|3,0,0]=4 9347 B12R1.37 C=COCCOCC1CCCC1 34a_100000033082_100000740388 [0,0,0,1,0,0|3,0,0]=4 9348 B12R1.37 C=COCCOCC1CCCC1 34a_100000742336_100000039644 [0,0,0,1,0,0|3,0,0]=4 9349 B12R1.37 C=COCCOCC1CCCC1 7a_100000742336_100000039644 [0,0,0,1,0,0|3,0,0]=4 9350 B12R1.37 C=COCCSCC1CCCC1 62a_100000039644_100000740388 [0,0,0,1,0,0|3,0,0]=4 9351 B12R1.37 C=COCCSCC1CCCC1 62a_100000740388_100000039644 [0,0,0,1,0,0|3,0,0]=4 9352 B12R1.37 CC=CCCCOC1CCCC1 34a_100020645299_100000179811 [0,0,0,1,0,0|2,0,1]=4 9353 B12R1.37 CC=CCNCCC1CCCC1 2230a_100000739158_100000070051 [0,0,0,1,0,0|2,0,1]=4 9354 B12R1.37 CC=CCNCCC1CCCC1 34a_100000739158_100000070051 [0,0,0,1,0,0|2,0,1]=4 9355 B12R1.37 CC=CCOCCC1CCCC1 34a_100000749090_100000070051 [0,0,0,1,0,0|2,0,1]=4 9356 B12R1.37 CC=CCOCCC1CCCC1 7a_100000749090_100000070051 [0,0,0,1,0,0|2,0,1]=4 9357 B12R1.37 CC=CCSCCC1CCCC1 62a_100000070051_100000760354 [0,0,0,1,0,0|2,0,1]=4 9358 B12R1.37 CC=CCSCCC1CCCC1 62a_100000760354_100000070051 [0,0,0,1,0,0|2,0,1]=4 9359 B12R1.37 CCCCCCCN1CC=CC1 269982a_100015195280_100000210681 [0,0,0,1,0,0|2,0,1]=4 9360 B12R1.37 CCCCCCCN1CCCC1 2230a_100000188435_100000210681 [0,0,0,1,0,0|2,0,1]=4 9361 B12R1.37 CCCCCCCN1CCCC1 269982a_100000188435_100000210681 [0,0,0,1,0,0|2,0,1]=4 9362 B12R1.37 CCCCCCCN1CCSC1 2230a_100011215254_100000210681 [0,0,0,1,0,0|3,0,0]=4 9363 B12R1.37 CCCCCCCN1CCSC1 269982a_100011215254_100000210681 [0,0,0,1,0,0|3,0,0]=4 9364 B12R1.37 CCCCCCNC1CC=CC1 2230a_100015188752_100000210314 [0,0,0,1,0,0|2,0,1]=4 9365 B12R1.37 CCCCCCNC1CCCC1 2230a_100000210581_100000179811 [0,0,0,1,0,0|2,0,1]=4 9366 B12R1.37 CCCCCCNC1CCCC1 2230a_100000211070_100000210314 [0,0,0,1,0,0|2,0,1]=4 9367 B12R1.37 CCCCCCNC1CCCC1 270004a_100000210581_100000210133 [0,0,0,1,0,0|2,0,1]=4 9368 B12R1.37 CCCCCCNC1CCCC1 34a_100000211070_100000210314 [0,0,0,1,0,0|2,0,1]=4 9369 B12R1.37 CCCCCCNC1CCOC1 2230a_100000210581_100000731011 [0,0,0,1,0,0|3,0,0]=4 9370 B12R1.37 CCCCCCNC1CCOC1 270004a_100000210581_100000752484 [0,0,0,1,0,0|3,0,0]=4 9371 B12R1.37 CCCCCCNC1CCSC1 270004a_100000210581_100000212027 [0,0,0,1,0,0|3,0,0]=4 9372 B12R1.37 CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210314 [0,0,0,1,0,0|3,0,0]=4 9373 B12R1.37 CCCCCCN[C@H]1CCOC1 2230a_100015188467_100000210314 [0,0,0,1,0,0|3,0,0]=4 9374 B12R1.37 CCCCCCN[C@H]1CCOC1 34a_100015188467_100000210314 [0,0,0,1,0,0|3,0,0]=4 9375 B12R1.37 CCCCCCOC1CCCC1 34a_100000210259_100000179811 [0,0,0,1,0,0|2,0,1]=4 9376 B12R1.37 CCCCCCOC1CCCC1 34a_100000210269_100000210314 [0,0,0,1,0,0|2,0,1]=4 9377 B12R1.37 CCCCCCOC1CCCC1 7a_100000210259_100000179811 [0,0,0,1,0,0|2,0,1]=4 9378 B12R1.37 CCCCCCOC1CCCC1 7a_100000210269_100000210314 [0,0,0,1,0,0|2,0,1]=4 9379 B12R1.37 CCCCCCOC1CCCO1 34a_100000085407_100000210314 [0,0,0,1,0,0|1,0,2]=4 9380 B12R1.37 CCCCCCOC1CCOC1 34a_100000210259_100000690089 [0,0,0,1,0,0|3,0,0]=4 9381 B12R1.37 CCCCCCOC1CCOC1 7a_100000210259_100000731011 [0,0,0,1,0,0|3,0,0]=4 9382 B12R1.37 CCCCCCOC1CCSC1 7a_100011232664_100000210314 [0,0,0,1,0,0|3,0,0]=4 9383 B12R1.37 CCCCCCO[C@H]1CCOC1 34a_100000717292_100000210314 [0,0,0,1,0,0|3,0,0]=4 9384 B12R1.37 CCCCCCSC1CCCC1 62a_100000210314_100000179811 [0,0,0,1,0,0|2,0,1]=4 9385 B12R1.37 CCCCCCSC1CCCC1 62a_100011217020_100000210757 [0,0,0,1,0,0|2,0,1]=4 9386 B12R1.37 CCCCCCSC1CCOC1 62a_100000210314_100000690089 [0,0,0,1,0,0|3,0,0]=4 9387 B12R1.37 CCCCCNCC1CCCC1 2230a_100000209983_100000740388 [0,0,0,1,0,0|2,0,1]=4 9388 B12R1.37 CCCCCNCC1CCCC1 2230a_100000737975_100000210326 [0,0,0,1,0,0|2,0,1]=4 9389 B12R1.37 CCCCCNCC1CCCC1 269862a_100000209983_100000746403 [0,0,0,1,0,0|2,0,1]=4 9390 B12R1.37 CCCCCNCC1CCCC1 34a_100000737975_100000718602 [0,0,0,1,0,0|2,0,1]=4 9391 B12R1.37 CCCCCNCC1CCCO1 2230a_100000209983_100000203698 [0,0,0,1,0,0|1,0,2]=4 9392 B12R1.37 CCCCCNCC1CCOC1 2230a_100000209983_100000702531 [0,0,0,1,0,0|3,0,0]=4 9393 B12R1.37 CCCCCNCC1CCOC1 2230a_100000737293_100000210326 [0,0,0,1,0,0|3,0,0]=4 9394 B12R1.37 CCCCCNCC1CCOC1 34a_100000737293_100000718602 [0,0,0,1,0,0|3,0,0]=4 9395 B12R1.37 CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210326 [0,0,0,1,0,0|1,0,2]=4 9396 B12R1.37 CCCCCNC[C@@H]1CCCO1 34a_100020590478_100000718602 [0,0,0,1,0,0|1,0,2]=4 9397 B12R1.37 CCCCCOCC1CC=CC1 34a_100000688395_100000718602 [0,0,0,1,0,0|2,0,1]=4 9398 B12R1.37 CCCCCOCC1CCCC1 34a_100000210253_100000740388 [0,0,0,1,0,0|2,0,1]=4 9399 B12R1.37 CCCCCOCC1CCCC1 34a_100000742336_100000718602 [0,0,0,1,0,0|2,0,1]=4 9400 B12R1.37 CCCCCOCC1CCCC1 7a_100000210253_100000740388 [0,0,0,1,0,0|2,0,1]=4 9401 B12R1.37 CCCCCOCC1CCCC1 7a_100000742336_100000210326 [0,0,0,1,0,0|2,0,1]=4 9402 B12R1.37 CCCCCOCC1CCCO1 34a_100000210270_100000718602 [0,0,0,1,0,0|1,0,2]=4 9403 B12R1.37 CCCCCOCC1CCCO1 7a_100000210253_100000203698 [0,0,0,1,0,0|1,0,2]=4 9404 B12R1.37 CCCCCOCC1CCCO1 7a_100000210270_100000210326 [0,0,0,1,0,0|1,0,2]=4 9405 B12R1.37 CCCCCOCC1CCNC1 34a_100000748654_100000718602 [0,0,0,1,0,0|3,0,0]=4 9406 B12R1.37 CCCCCOCC1CCOC1 34a_100000210253_100011261433 [0,0,0,1,0,0|3,0,0]=4 9407 B12R1.37 CCCCCOCC1CCOC1 34a_100000740260_100000718602 [0,0,0,1,0,0|3,0,0]=4 9408 B12R1.37 CCCCCOCC1CCOC1 7a_100000210253_100000702531 [0,0,0,1,0,0|3,0,0]=4 9409 B12R1.37 CCCCCOC[C@H]1CCCN1 34a_100000745186_100000718602 [0,0,0,1,0,0|2,0,1]=4 9410 B12R1.37 CCCCCSCC1CCCC1 62a_100000210326_100000740388 [0,0,0,1,0,0|2,0,1]=4 9411 B12R1.37 CCCCCSCC1CCCC1 62a_100000740388_100000210326 [0,0,0,1,0,0|2,0,1]=4 9412 B12R1.37 CCCCCSCC1CCCO1 62a_100000203698_100000210326 [0,0,0,1,0,0|1,0,2]=4 9413 B12R1.37 CCCCCSCC1CCCO1 62a_100000210326_100000203698 [0,0,0,1,0,0|1,0,2]=4 9414 B12R1.37 CCCCCSCC1CCOC1 62a_100000210326_100000702531 [0,0,0,1,0,0|3,0,0]=4 9415 B12R1.37 CCCCCSCC1CCOC1 62a_100000702531_100000210326 [0,0,0,1,0,0|3,0,0]=4 9416 B12R1.37 CCCCNCCC1CCCC1 2230a_100000102301_100000760354 [0,0,0,1,0,0|2,0,1]=4 9417 B12R1.37 CCCCNCCC1CCCC1 2230a_100000739158_100000210211 [0,0,0,1,0,0|2,0,1]=4 9418 B12R1.37 CCCCNCCC1CCCC1 34a_100000739158_100000210210 [0,0,0,1,0,0|2,0,1]=4 9419 B12R1.37 CCCCNCCC1CCCC1 7a_106832991798_100000760354 [0,0,0,1,0,0|2,0,1]=4 9420 B12R1.37 CCCCOCCC1CCCC1 34a_100000210227_100000760354 [0,0,0,1,0,0|2,0,1]=4 9421 B12R1.37 CCCCOCCC1CCCC1 34a_100000749090_100000210210 [0,0,0,1,0,0|2,0,1]=4 9422 B12R1.37 CCCCOCCC1CCCC1 7a_100000210227_100000760354 [0,0,0,1,0,0|2,0,1]=4 9423 B12R1.37 CCCCOCCC1CCCC1 7a_100000749090_100000210211 [0,0,0,1,0,0|2,0,1]=4 9424 B12R1.37 CCCCOCCC1CCNC1 34a_100016987287_100000210210 [0,0,0,1,0,0|3,0,0]=4 9425 B12R1.37 CCCCOCCC1CCOC1 34a_100011879284_100000210210 [0,0,0,1,0,0|3,0,0]=4 9426 B12R1.37 CCCCSCCC1CCCC1 62a_100000210211_100000760354 [0,0,0,1,0,0|2,0,1]=4 9427 B12R1.37 CCCCSCCC1CCCC1 62a_100000760354_100000210210 [0,0,0,1,0,0|2,0,1]=4 9428 B12R1.37 CCCNCCCC1CCCC1 2230a_100000736752_100000210303 [0,0,0,1,0,0|2,0,1]=4 9429 B12R1.37 CCCNCCCC1CCCC1 34a_100000736752_100000210303 [0,0,0,1,0,0|2,0,1]=4 9430 B12R1.37 CCCOCCCC1CCCC1 34a_100000210258_100011713738 [0,0,0,1,0,0|2,0,1]=4 9431 B12R1.37 CCCOCCCC1CCCC1 34a_100011215328_100000210303 [0,0,0,1,0,0|2,0,1]=4 9432 B12R1.37 CCCOCCCC1CCCC1 7a_100011215328_100000210303 [0,0,0,1,0,0|2,0,1]=4 9433 B12R1.37 CCCSCCCC1CCCC1 62a_100000210303_100011713738 [0,0,0,1,0,0|2,0,1]=4 9434 B12R1.37 CCCSCCCC1CCCC1 62a_100011713738_100000210303 [0,0,0,1,0,0|2,0,1]=4 9435 B12R1.37 CNCCCOCC1CCCC1 34a_100000213112_100000740388 [0,0,0,1,0,0|3,0,0]=4 9436 B12R1.37 COCCCCNC1CCCC1 2230a_100000211070_100000730899 [0,0,0,1,0,0|3,0,0]=4 9437 B12R1.37 COCCCCNC1CCCC1 34a_100000211070_100000755781 [0,0,0,1,0,0|3,0,0]=4 9438 B12R1.37 COCCCCOC1CCCC1 34a_100000210269_100000755781 [0,0,0,1,0,0|3,0,0]=4 9439 B12R1.37 COCCCCOC1CCCC1 34a_100000740925_100000179811 [0,0,0,1,0,0|3,0,0]=4 9440 B12R1.37 COCCCCOC1CCCC1 7a_100000210269_100000730899 [0,0,0,1,0,0|3,0,0]=4 9441 B12R1.37 COCCCCSC1CCCC1 62a_100000730899_100000179811 [0,0,0,1,0,0|3,0,0]=4 9442 B12R1.37 COCCCCSC1CCCC1 62a_100011217020_100000730899 [0,0,0,1,0,0|3,0,0]=4 9443 B12R1.37 COCCCNCC1CCCC1 2230a_100000737975_100000740836 [0,0,0,1,0,0|3,0,0]=4 9444 B12R1.37 COCCCNCC1CCCC1 269862a_100150723488_100000746403 [0,0,0,1,0,0|3,0,0]=4 9445 B12R1.37 COCCCNCC1CCCC1 34a_100000737975_100000740836 [0,0,0,1,0,0|3,0,0]=4 9446 B12R1.37 COCCCNCC1CCCC1 34a_100150723488_100000740388 [0,0,0,1,0,0|3,0,0]=4 9447 B12R1.37 COCCCOCC1CCCC1 34a_100000740835_100000740388 [0,0,0,1,0,0|3,0,0]=4 9448 B12R1.37 COCCCOCC1CCCC1 34a_100000742336_100000740836 [0,0,0,1,0,0|3,0,0]=4 9449 B12R1.37 COCCCOCC1CCCC1 7a_100000742336_100000740836 [0,0,0,1,0,0|3,0,0]=4 9450 B12R1.37 COCCCSCC1CCCC1 62a_100000709357_100000740388 [0,0,0,1,0,0|3,0,0]=4 9451 B12R1.37 COCCCSCC1CCCC1 62a_100000740388_100000709357 [0,0,0,1,0,0|3,0,0]=4 9452 B12R1.37 COCCNCCC1CCCC1 2230a_100000209980_100000760354 [0,0,0,1,0,0|3,0,0]=4 9453 B12R1.37 COCCNCCC1CCCC1 2230a_100000739158_100011201679 [0,0,0,1,0,0|3,0,0]=4 9454 B12R1.37 COCCNCCC1CCCC1 34a_100000739158_100011201679 [0,0,0,1,0,0|3,0,0]=4 9455 B12R1.37 COCCOCCC1CCCC1 34a_100000210237_100000760354 [0,0,0,1,0,0|3,0,0]=4 9456 B12R1.37 COCCOCCC1CCCC1 34a_100000749090_100011201679 [0,0,0,1,0,0|3,0,0]=4 9457 B12R1.37 COCCOCCC1CCCC1 7a_100000749090_100000233755 [0,0,0,1,0,0|3,0,0]=4 9458 B12R1.37 COCCSCCC1CCCC1 62a_100000233755_100000760354 [0,0,0,1,0,0|3,0,0]=4 9459 B12R1.37 COCCSCCC1CCCC1 62a_100000760354_100000233755 [0,0,0,1,0,0|3,0,0]=4 9460 B12R1.37 COCNCCCC1CCCC1 2230a_100000736752_100000766300 [0,0,0,1,0,0|3,0,0]=4 9461 B12R1.37 COCSCCCC1CCCC1 62a_100000766300_100011713738 [0,0,0,1,0,0|3,0,0]=4 9462 B12R1.37 COCSCCCC1CCCC1 62a_100011713738_100000766300 [0,0,0,1,0,0|3,0,0]=4 9463 B12R1.37 CSCCCCOC1CCCC1 34a_100011217163_100000179811 [0,0,0,1,0,0|3,0,0]=4 9464 B12R1.37 CSCCCCOC1CCCC1 7a_100011217163_100000179811 [0,0,0,1,0,0|3,0,0]=4 9465 B12R1.37 CSCCCNCC1CCCC1 2230a_100000749238_100000740388 [0,0,0,1,0,0|3,0,0]=4 9466 B12R1.37 CSCCCNCC1CCCC1 269862a_100000749238_100000746403 [0,0,0,1,0,0|3,0,0]=4 9467 B12R1.37 CSCCCOCC1CCCC1 34a_100000690336_100000740388 [0,0,0,1,0,0|3,0,0]=4 9468 B12R1.37 CSCCCOCC1CCCC1 7a_100000690336_100000740388 [0,0,0,1,0,0|3,0,0]=4 9469 B12R1.37 CSCCNCCC1CCCC1 2230a_100000739158_100000751147 [0,0,0,1,0,0|3,0,0]=4 9470 B12R1.37 CSCCNCCC1CCCC1 2230a_100020590264_100000760354 [0,0,0,1,0,0|3,0,0]=4 9471 B12R1.37 CSCCNCCC1CCCC1 34a_100000739158_100000212216 [0,0,0,1,0,0|3,0,0]=4 9472 B12R1.37 CSCCOCCC1CCCC1 34a_100000230434_100000760354 [0,0,0,1,0,0|3,0,0]=4 9473 B12R1.37 CSCCOCCC1CCCC1 34a_100000749090_100000212216 [0,0,0,1,0,0|3,0,0]=4 9474 B12R1.37 CSCCOCCC1CCCC1 7a_100000230434_100000760354 [0,0,0,1,0,0|3,0,0]=4 9475 B12R1.37 CSCCOCCC1CCCC1 7a_100000749090_100000212216 [0,0,0,1,0,0|3,0,0]=4 9476 B12R1.37 CSCCSCCC1CCCC1 62a_100000212216_100000760354 [0,0,0,1,0,0|3,0,0]=4 9477 B12R1.37 CSCCSCCC1CCCC1 62a_100000760354_100000751147 [0,0,0,1,0,0|3,0,0]=4 9478 B12R1.37 CSCNCCCC1CCCC1 2230a_100000736752_100011218213 [0,0,0,1,0,0|3,0,0]=4 9479 B12R1.37 CSCNCCCC1CCCC1 34a_100000736752_100011218213 [0,0,0,1,0,0|3,0,0]=4 9480 B12R1.37 CSCOCCCC1CCCC1 34a_100011215328_100011218213 [0,0,0,1,0,0|3,0,0]=4 9481 B12R1.37 CSCSCCCC1CCCC1 62a_100011218213_100011713738 [0,0,0,1,0,0|3,0,0]=4 9482 B12R1.37 CSCSCCCC1CCCC1 62a_100011713738_100011218213 [0,0,0,1,0,0|3,0,0]=4 9483 B12R1.37 ClCCCCCOC1CCCC1 34a_100000746330_100000179811 [0,0,0,1,0,0|2,0,1]=4 9484 B12R1.37 ClCCCCCOC1CCCC1 7a_100000746330_100000179811 [0,0,0,1,0,0|2,0,1]=4 9485 B12R1.37 ClCCCCOCC1CCCC1 34a_100000210776_100000740388 [0,0,0,1,0,0|2,0,1]=4 9486 B12R1.37 ClCCCCOCC1CCCC1 7a_100000210776_100000740388 [0,0,0,1,0,0|2,0,1]=4 9487 B12R1.37 ClCCCOCCC1CCCC1 34a_100000230001_100000760354 [0,0,0,1,0,0|2,0,1]=4 9488 B12R1.37 FCCCCCCN1CCCC1 2230a_100000188435_100015922095 [0,0,0,1,0,0|2,0,1]=4 9489 B12R1.37 FCCCCCCN1CCCC1 269982a_100000188435_100015922095 [0,0,0,1,0,0|2,0,1]=4 9490 B12R1.37 FCCCCCNC1CCCC1 2230a_100000211070_100000729378 [0,0,0,1,0,0|2,0,1]=4 9491 B12R1.37 FCCCCCNC1CCCC1 34a_100000211070_100000729378 [0,0,0,1,0,0|2,0,1]=4 9492 B12R1.37 FCCCCCOC1CCCC1 34a_100000210269_100000729378 [0,0,0,1,0,0|2,0,1]=4 9493 B12R1.37 FCCCCCOC1CCCC1 7a_100000210269_100000729378 [0,0,0,1,0,0|2,0,1]=4 9494 B12R1.37 FCCCCCSC1CCCC1 62a_100000729378_100000179811 [0,0,0,1,0,0|2,0,1]=4 9495 B12R1.37 FCCCCCSC1CCCC1 62a_100011217020_100000729378 [0,0,0,1,0,0|2,0,1]=4 9496 B12R1.37 FCCCCNCC1CCCC1 2230a_100000737975_100000729493 [0,0,0,1,0,0|2,0,1]=4 9497 B12R1.37 FCCCCNCC1CCCC1 34a_100000737975_100000729493 [0,0,0,1,0,0|2,0,1]=4 9498 B12R1.37 FCCCCOCC1CCCC1 34a_100000742336_100000729493 [0,0,0,1,0,0|2,0,1]=4 9499 B12R1.37 FCCCCOCC1CCCC1 34a_100011995726_100000740388 [0,0,0,1,0,0|2,0,1]=4 9500 B12R1.37 FCCCCOCC1CCCC1 7a_100000742336_100000729493 [0,0,0,1,0,0|2,0,1]=4 9501 B12R1.37 FCCCCOCC1CCCC1 7a_100011995726_100000740388 [0,0,0,1,0,0|2,0,1]=4 9502 B12R1.37 FCCCCSCC1CCCC1 62a_100000729493_100000740388 [0,0,0,1,0,0|2,0,1]=4 9503 B12R1.37 FCCCCSCC1CCCC1 62a_100000740388_100000729493 [0,0,0,1,0,0|2,0,1]=4 9504 B12R1.37 FCCCNCCC1CCCC1 2230a_100000739158_100011934791 [0,0,0,1,0,0|2,0,1]=4 9505 B12R1.37 FCCCNCCC1CCCC1 2230a_100015189416_100000760354 [0,0,0,1,0,0|2,0,1]=4 9506 B12R1.37 FCCCNCCC1CCCC1 34a_100000739158_100011934791 [0,0,0,1,0,0|2,0,1]=4 9507 B12R1.37 FCCCNCCC1CCCC1 34a_100015189416_100000760354 [0,0,0,1,0,0|2,0,1]=4 9508 B12R1.37 FCCCOCCC1CCCC1 34a_100000749090_100011934791 [0,0,0,1,0,0|2,0,1]=4 9509 B12R1.37 FCCCOCCC1CCCC1 34a_100000759539_100000760354 [0,0,0,1,0,0|2,0,1]=4 9510 B12R1.37 FCCCOCCC1CCCC1 7a_100000749090_100011934791 [0,0,0,1,0,0|2,0,1]=4 9511 B12R1.37 FCCCSCCC1CCCC1 62a_100000760354_100011934791 [0,0,0,1,0,0|2,0,1]=4 9512 B12R1.37 FCCCSCCC1CCCC1 62a_100011934791_100000760354 [0,0,0,1,0,0|2,0,1]=4 9513 B12R1.37 FCCNCCCC1CCCC1 2230a_100000736752_100011217306 [0,0,0,1,0,0|2,0,1]=4 9514 B12R1.37 FCCNCCCC1CCCC1 34a_100000724931_100011713738 [0,0,0,1,0,0|2,0,1]=4 9515 B12R1.37 FCCNCCCC1CCCC1 34a_100000736752_100011217306 [0,0,0,1,0,0|2,0,1]=4 9516 B12R1.37 FCCOCCCC1CCCC1 34a_100011215328_100011217306 [0,0,0,1,0,0|2,0,1]=4 9517 B12R1.37 FCCOCCCC1CCCC1 7a_100011215328_100011217306 [0,0,0,1,0,0|2,0,1]=4 9518 B12R1.37 FCCSCCCC1CCCC1 62a_100011217306_100011713738 [0,0,0,1,0,0|2,0,1]=4 9519 B12R1.37 FCCSCCCC1CCCC1 62a_100011713738_100011217306 [0,0,0,1,0,0|2,0,1]=4 9520 B12R1.37 ICCCCCOC1CCCC1 34a_200012148887_100000179811 [0,0,0,1,0,0|2,0,1]=4 9521 B12R1.37 ICCCCCOC1CCCC1 7a_200012148887_100000179811 [0,0,0,1,0,0|2,0,1]=4 9522 B12R1.37 ICCCCOCC1CCCC1 34a_200012148704_100000740388 [0,0,0,1,0,0|2,0,1]=4 9523 B12R1.37 N#CCCCCCN1CCCC1 2230a_100000188435_100009813376 [0,0,0,1,0,0|2,0,1]=4 9524 B12R1.37 N#CCCCCCN1CCCC1 269982a_100000188435_100009813376 [0,0,0,1,0,0|2,0,1]=4 9525 B12R1.37 N#CCCCCNC1CCCC1 2230a_100000211070_100000211819 [0,0,0,1,0,0|2,0,1]=4 9526 B12R1.37 N#CCCCCNC1CCCC1 270004a_100000751965_100000210133 [0,0,0,1,0,0|2,0,1]=4 9527 B12R1.37 N#CCCCCOC1CCCC1 7a_100000210269_100000211819 [0,0,0,1,0,0|2,0,1]=4 9528 B12R1.37 N#CCCCCSC1CCCC1 62a_100011217020_100000211819 [0,0,0,1,0,0|2,0,1]=4 9529 B12R1.37 N#CCCCCSC1CCCC1 62a_100011219923_100000179811 [0,0,0,1,0,0|2,0,1]=4 9530 B12R1.37 N#CCCCNCC1CCCC1 2230a_100000737975_100000687738 [0,0,0,1,0,0|2,0,1]=4 9531 B12R1.37 N#CCCCOCC1CCCC1 7a_100000742336_100000687738 [0,0,0,1,0,0|2,0,1]=4 9532 B12R1.37 N#CCCCSCC1CCCC1 62a_100000687738_100000740388 [0,0,0,1,0,0|2,0,1]=4 9533 B12R1.37 N#CCCCSCC1CCCC1 62a_100000740388_100000687738 [0,0,0,1,0,0|2,0,1]=4 9534 B12R1.37 N#CCCNCCC1CCCC1 2230a_100000739158_100011215226 [0,0,0,1,0,0|2,0,1]=4 9535 B12R1.37 N#CCCOCCC1CCCC1 7a_100000749090_100000184422 [0,0,0,1,0,0|2,0,1]=4 9536 B12R1.37 N#CCCSCCC1CCCC1 62a_100000760354_100011215226 [0,0,0,1,0,0|2,0,1]=4 9537 B12R1.37 N#CCCSCCC1CCCC1 62a_100011215226_100000760354 [0,0,0,1,0,0|2,0,1]=4 9538 B12R1.37 N#CCNCCCC1CCCC1 2230a_100000736752_100011215382 [0,0,0,1,0,0|2,0,1]=4 9539 B12R1.37 N#CCOCCCC1CCCC1 7a_100011215328_100011215382 [0,0,0,1,0,0|2,0,1]=4 9540 B12R1.37 N#CCSCCCC1CCCC1 62a_100011215382_100011713738 [0,0,0,1,0,0|2,0,1]=4 9541 B12R1.37 N#CCSCCCC1CCCC1 62a_100011713738_100011215382 [0,0,0,1,0,0|2,0,1]=4 9542 B12R1.37 NCCCCCOC1CCCC1 34a_100000762737_100000179811 [0,0,0,1,0,0|2,0,1]=4 9543 B12R1.37 NCCCCOCC1CCCC1 34a_100000750430_100000740388 [0,0,0,1,0,0|2,0,1]=4 9544 B12R1.37 NCCCOCCC1CCCC1 34a_100000182051_100000760354 [0,0,0,1,0,0|2,0,1]=4 9545 B12R1.37 NCCOCCCC1CCCC1 34a_100000210304_100011713738 [0,0,0,1,0,0|2,0,1]=4 9546 B12R1.37 NOCCOCCC1CCCC1 34a_100000700252_100000760354 [0,0,0,1,0,0|3,0,0]=4 9547 B12R1.37 O=CCCCCCN1CC=CC1 269982a_100015195280_100000139337 [0,0,0,1,0,0|1,0,2]=4 9548 B12R1.37 O=CCCCCCN1CCCC1 2230a_100000188435_100000139337 [0,0,0,1,0,0|1,0,0]=2 9549 B12R1.37 O=CCCCCCN1CCCC1 269982a_100000188435_100000139337 [0,0,0,1,0,0|1,0,0]=2 9550 B12R1.37 O=CCCCCCN1CCSC1 2230a_100011215254_100000139337 [0,0,0,1,0,0|2,0,0]=3 9551 B12R1.37 O=CCCCCCN1CCSC1 269982a_100011215254_100000139337 [0,0,0,1,0,0|2,0,0]=3 9552 B12R1.37 O=CCCCCNC1CC=CC1 2230a_100015188752_100000139335 [0,0,0,1,0,0|1,0,2]=4 9553 B12R1.37 O=CCCCCNC1CCCC1 2230a_100000211070_100000139335 [0,0,0,1,0,0|1,0,0]=2 9554 B12R1.37 O=CCCCCN[C@@H]1CCOC1 2230a_200015188469_100000139335 [0,0,0,1,0,0|2,0,0]=3 9555 B12R1.37 O=CCCCCN[C@H]1CCOC1 2230a_100015188467_100000139335 [0,0,0,1,0,0|2,0,0]=3 9556 B12R1.37 O=CCCCCOC1CCCC1 7a_100000210269_100000139335 [0,0,0,1,0,0|1,0,0]=2 9557 B12R1.37 O=CCCCCOC1CCSC1 7a_100011232664_100000139335 [0,0,0,1,0,0|2,0,0]=3 9558 B12R1.37 O=CCCCCSC1CCCC1 62a_100000139335_100000179811 [0,0,0,1,0,0|1,0,0]=2 9559 B12R1.37 O=CCCCCSC1CCCC1 62a_100011217020_100000139335 [0,0,0,1,0,0|1,0,0]=2 9560 B12R1.37 O=CCCCCSC1CCOC1 62a_100000139335_100000690089 [0,0,0,1,0,0|2,0,0]=3 9561 B12R1.37 O=CCCCNCC1CCCC1 2230a_100000737975_200011292268 [0,0,0,1,0,0|1,0,0]=2 9562 B12R1.37 O=CCCCNCC1CCOC1 2230a_100000737293_200011292268 [0,0,0,1,0,0|2,0,0]=3 9563 B12R1.37 O=CCCCNCC1OCCO1 2230a_100000036311_200011292268 [0,0,0,1,0,0|3,0,0]=4 9564 B12R1.37 O=CCCCNC[C@@H]1CCCO1 2230a_100020590478_200011292268 [0,0,0,1,0,0|2,0,0]=3 9565 B12R1.37 O=CCCCOCC1CCCC1 7a_100000742336_200011292268 [0,0,0,1,0,0|1,0,0]=2 9566 B12R1.37 O=CCCCOCC1CCCO1 7a_100000210270_200011292268 [0,0,0,1,0,0|2,0,0]=3 9567 B12R1.37 O=CCCCSCC1CCCC1 62a_100000740388_200011292268 [0,0,0,1,0,0|1,0,0]=2 9568 B12R1.37 O=CCCCSCC1CCCC1 62a_200011292268_100000740388 [0,0,0,1,0,0|1,0,0]=2 9569 B12R1.37 O=CCCCSCC1CCCO1 62a_100000203698_200011292268 [0,0,0,1,0,0|2,0,0]=3 9570 B12R1.37 O=CCCCSCC1CCCO1 62a_200011292268_100000203698 [0,0,0,1,0,0|2,0,0]=3 9571 B12R1.37 O=CCCCSCC1CCOC1 62a_100000702531_200011292268 [0,0,0,1,0,0|2,0,0]=3 9572 B12R1.37 O=CCCCSCC1CCOC1 62a_200011292268_100000702531 [0,0,0,1,0,0|2,0,0]=3 9573 B12R1.37 O=CCCCSCC1OCCO1 62a_100000755774_200011292268 [0,0,0,1,0,0|3,0,0]=4 9574 B12R1.37 O=CCCCSCC1OCCO1 62a_200011292268_100000755774 [0,0,0,1,0,0|3,0,0]=4 9575 B12R1.37 O=CCNCCCC1CCCC1 2230a_100000736752_200015260668 [0,0,0,1,0,0|1,0,0]=2 9576 B12R1.37 O=CCNCCCC1CCCC1 34a_100000736752_200009817547 [0,0,0,1,0,0|1,0,0]=2 9577 B12R1.37 O=CCNCCOC1CCCC1 34a_100000741755_200009817547 [0,0,0,1,0,0|2,0,0]=3 9578 B12R1.37 O=CCOCCCC1CCCC1 34a_100011215328_200009817547 [0,0,0,1,0,0|1,0,0]=2 9579 B12R1.37 O=CCOCCCC1CCCC1 7a_100011215328_200015260668 [0,0,0,1,0,0|1,0,0]=2 9580 B12R1.37 O=CCOCCCC1OCCO1 34a_100009871617_200009817547 [0,0,0,1,0,0|3,0,0]=4 9581 B12R1.37 O=CCOCCCC1OCCO1 7a_100009871617_200015260668 [0,0,0,1,0,0|3,0,0]=4 9582 B12R1.37 O=CCOCCNC1CCCC1 34a_200000200444_200009817547 [0,0,0,1,0,0|2,0,0]=3 9583 B12R1.37 O=CCOCCOC1CCCC1 34a_100000738311_200009817547 [0,0,0,1,0,0|2,0,0]=3 9584 B12R1.37 O=CCOCCOC1CCCC1 7a_100000738311_200015260668 [0,0,0,1,0,0|2,0,0]=3 9585 B12R1.37 O=CCSCCCC1CCCC1 62a_100011713738_200015260668 [0,0,0,1,0,0|1,0,0]=2 9586 B12R1.37 O=CCSCCCC1CCCC1 62a_200015260668_100011713738 [0,0,0,1,0,0|1,0,0]=2 9587 B12R1.37 O=CCSCCCC1OCCO1 62a_200015260668_100000042513 [0,0,0,1,0,0|3,0,0]=4 9588 B12R1.37 O=CCSCCCN1CCCC1 62a_100016991639_200015260668 [0,0,0,1,0,0|2,0,0]=3 9589 B12R1.37 O=CCSCCCN1CCCC1 62a_200015260668_100011445909 [0,0,0,1,0,0|2,0,0]=3 9590 B12R1.37 OCCCCCCN1CCCC1 2230a_100000188435_100000766143 [0,0,0,1,0,0|1,0,2]=4 9591 B12R1.37 OCCCCCCN1CCCC1 269982a_100000188435_100000766143 [0,0,0,1,0,0|1,0,2]=4 9592 B12R1.37 OCCCCCNC1CCCC1 2230a_100000211070_100000746330 [0,0,0,1,0,0|1,0,2]=4 9593 B12R1.37 OCCCCCNC1CCCC1 2230a_100000762737_100000179811 [0,0,0,1,0,0|1,0,2]=4 9594 B12R1.37 OCCCCCNC1CCCC1 270004a_100000762737_100000210133 [0,0,0,1,0,0|1,0,2]=4 9595 B12R1.37 OCCCCCNC1CCCC1 34a_100000211070_100000746330 [0,0,0,1,0,0|1,0,2]=4 9596 B12R1.37 OCCCCCNC1CCCC1 34a_100000762737_100000179811 [0,0,0,1,0,0|1,0,2]=4 9597 B12R1.37 OCCCCCOC1CCCC1 34a_100000210269_100000746330 [0,0,0,1,0,0|1,0,2]=4 9598 B12R1.37 OCCCCCOC1CCCC1 7a_100000210269_100000746330 [0,0,0,1,0,0|1,0,2]=4 9599 B12R1.37 OCCCCCSC1CCCC1 62a_100000746330_100000179811 [0,0,0,1,0,0|1,0,2]=4 9600 B12R1.37 OCCCCCSC1CCCC1 62a_100011217020_100000746330 [0,0,0,1,0,0|1,0,2]=4 9601 B12R1.37 OCCCCNCC1CCCC1 2230a_100000737975_100000210776 [0,0,0,1,0,0|1,0,2]=4 9602 B12R1.37 OCCCCNCC1CCCC1 2230a_100000750430_100000740388 [0,0,0,1,0,0|1,0,2]=4 9603 B12R1.37 OCCCCNCC1CCCC1 269862a_100000750430_100000746403 [0,0,0,1,0,0|1,0,2]=4 9604 B12R1.37 OCCCCNCC1CCCC1 34a_100000737975_100011216708 [0,0,0,1,0,0|1,0,2]=4 9605 B12R1.37 OCCCCNCC1CCCC1 34a_100000750430_100000740388 [0,0,0,1,0,0|1,0,2]=4 9606 B12R1.37 OCCCCOCC1CCCC1 34a_100000742336_100011216708 [0,0,0,1,0,0|1,0,2]=4 9607 B12R1.37 OCCCCOCC1CCCC1 7a_100000742336_100000210776 [0,0,0,1,0,0|1,0,2]=4 9608 B12R1.37 OCCCCSCC1CCCC1 62a_100000210776_100000740388 [0,0,0,1,0,0|1,0,2]=4 9609 B12R1.37 OCCCCSCC1CCCC1 62a_100000740388_100000210776 [0,0,0,1,0,0|1,0,2]=4 9610 B12R1.37 OCCCNCCC1CCCC1 2230a_100000739158_100000230001 [0,0,0,1,0,0|1,0,2]=4 9611 B12R1.37 OCCCNCCC1CCCC1 34a_100000739158_100000230001 [0,0,0,1,0,0|1,0,2]=4 9612 B12R1.37 OCCCOCCC1CCCC1 34a_100000749090_100000230001 [0,0,0,1,0,0|1,0,2]=4 9613 B12R1.37 OCCCOCCC1CCCC1 7a_100000749090_100011215043 [0,0,0,1,0,0|1,0,2]=4 9614 B12R1.37 OCCCSCCC1CCCC1 62a_100000760354_100011215043 [0,0,0,1,0,0|1,0,2]=4 9615 B12R1.37 OCCCSCCC1CCCC1 62a_100011215043_100000760354 [0,0,0,1,0,0|1,0,2]=4 9616 B12R1.37 OCCNCCCC1CCCC1 2230a_100000736752_100000211926 [0,0,0,1,0,0|1,0,2]=4 9617 B12R1.37 OCCNCCCC1CCCC1 2230a_100016997473_100011713738 [0,0,0,1,0,0|1,0,2]=4 9618 B12R1.37 OCCNCCCC1CCCC1 34a_100000736752_100000211926 [0,0,0,1,0,0|1,0,2]=4 9619 B12R1.37 OCCNCCCC1CCCC1 34a_100016990907_100011713738 [0,0,0,1,0,0|1,0,2]=4 9620 B12R1.37 OCCOCCCC1CCCC1 34a_100011215328_100000211926 [0,0,0,1,0,0|1,0,2]=4 9621 B12R1.37 OCCOCCCC1CCCC1 7a_100011215328_100000211926 [0,0,0,1,0,0|1,0,2]=4 9622 B12R1.37 OCCSCCCC1CCCC1 62a_100000211926_100011713738 [0,0,0,1,0,0|1,0,2]=4 9623 B12R1.37 OCCSCCCC1CCCC1 62a_100011713738_100000211926 [0,0,0,1,0,0|1,0,2]=4 9624 B12R1.45 C#CCCCN1CCCC1CC 2230a_100000754278_100000731252 [0,0,0,1,0,0|2,0,1]=4 9625 B12R1.45 C#CCCCN1CCCC1CC 269982a_100000754278_100011215417 [0,0,0,1,0,0|2,0,1]=4 9626 B12R1.45 C#CCCCN1CCCC1CC 34a_100000754278_100000695029 [0,0,0,1,0,0|2,0,1]=4 9627 B12R1.45 C=CCCCN1CCCC1CC 2230a_100000754278_100011713584 [0,0,0,1,0,0|2,0,0]=3 9628 B12R1.45 C=CCCCN1CCCC1CC 269982a_100000754278_100000757094 [0,0,0,1,0,0|2,0,0]=3 9629 B12R1.45 C=CCCCN1CCCC1CC 34a_100000754278_100000757094 [0,0,0,1,0,0|2,0,0]=3 9630 B12R1.45 C=CCCCN1CCC[C@@H]1CO 2230a_100000745186_100011713584 [0,0,0,1,0,0|3,0,0]=4 9631 B12R1.45 C=CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000757094 [0,0,0,1,0,0|3,0,0]=4 9632 B12R1.45 C=CCCCN1CCC[C@@H]1CO 34a_100000745186_100000757094 [0,0,0,1,0,0|3,0,0]=4 9633 B12R1.45 C=CCCNC1CCCC1CC 269862a_100015191253_100000749056 [0,0,0,1,0,0|2,0,0]=3 9634 B12R1.45 C=CCCNC1CCCC1CC 270004a_100015191253_100000749056 [0,0,0,1,0,0|2,0,0]=3 9635 B12R1.45 C=CCNCC1CCCN1CC 2230a_100000211693_100000210623 [0,0,0,1,0,0|3,0,0]=4 9636 B12R1.45 C=CCOC[C@H]1CCCN1CC 34a_100011739246_100015514636 [0,0,0,1,0,0|3,0,0]=4 9637 B12R1.45 C=CCOC[C@H]1CCCN1CC 7a_100011739246_100015514636 [0,0,0,1,0,0|3,0,0]=4 9638 B12R1.45 C=COCCN1CCCC1CC 2230a_100000754278_100000039644 [0,0,0,1,0,0|3,0,0]=4 9639 B12R1.45 C=COCCN1CCCC1CC 269982a_100000754278_100000039644 [0,0,0,1,0,0|3,0,0]=4 9640 B12R1.45 C=COCCN1CCCC1CC 34a_100000754278_100000039644 [0,0,0,1,0,0|3,0,0]=4 9641 B12R1.45 CCC1C=CCN1CCCC=O 2230a_100000730860_200011292268 [0,0,0,1,0,0|1,0,2]=4 9642 B12R1.45 CCC1C=CCN1CCCC=O 269982a_100000730860_200011292268 [0,0,0,1,0,0|1,0,2]=4 9643 B12R1.45 CCC1CCCC1NCCC#N 270004a_100000720768_100000749056 [0,0,0,1,0,0|2,0,1]=4 9644 B12R1.45 CCC1CCCC1NCCCF 269862a_100015189416_100000749056 [0,0,0,1,0,0|2,0,1]=4 9645 B12R1.45 CCC1CCCC1NCCCF 270004a_100015189416_100000749056 [0,0,0,1,0,0|2,0,1]=4 9646 B12R1.45 CCC1CCCC1NCCCO 269862a_100000182051_100000749056 [0,0,0,1,0,0|1,0,2]=4 9647 B12R1.45 CCC1CCCC1NCCCO 270004a_100000182051_100000749056 [0,0,0,1,0,0|1,0,2]=4 9648 B12R1.45 CCC1CCCC1NCCOC 269862a_100000209980_100000749056 [0,0,0,1,0,0|3,0,0]=4 9649 B12R1.45 CCC1CCCC1NCCOC 270004a_100000209980_100000749056 [0,0,0,1,0,0|3,0,0]=4 9650 B12R1.45 CCC1CCCC1NCCSC 269862a_100020590264_100000749056 [0,0,0,1,0,0|3,0,0]=4 9651 B12R1.45 CCC1CCCC1NCCSC 270004a_100020590264_100000749056 [0,0,0,1,0,0|3,0,0]=4 9652 B12R1.45 CCC1CCCN1CCCC#N 2230a_100000754278_100000687738 [0,0,0,1,0,0|2,0,1]=4 9653 B12R1.45 CCC1CCCN1CCCC#N 269982a_100000754278_100000687738 [0,0,0,1,0,0|2,0,1]=4 9654 B12R1.45 CCC1CCCN1CCCC=O 2230a_100000754278_200011292268 [0,0,0,1,0,0|1,0,0]=2 9655 B12R1.45 CCC1CCCN1CCCC=O 269982a_100000754278_200011292268 [0,0,0,1,0,0|1,0,0]=2 9656 B12R1.45 CCC1CCCN1CCCCF 2230a_100000754278_100000729493 [0,0,0,1,0,0|2,0,1]=4 9657 B12R1.45 CCC1CCCN1CCCCF 269982a_100000754278_100000729493 [0,0,0,1,0,0|2,0,1]=4 9658 B12R1.45 CCC1CCCN1CCCCF 34a_100000754278_100000729493 [0,0,0,1,0,0|2,0,1]=4 9659 B12R1.45 CCC1CCCN1CCCCO 2230a_100000754278_100000210776 [0,0,0,1,0,0|1,0,2]=4 9660 B12R1.45 CCC1CCCN1CCCCO 269982a_100000754278_100000210776 [0,0,0,1,0,0|1,0,2]=4 9661 B12R1.45 CCC1CCCN1CCCCO 34a_100000754278_100011216708 [0,0,0,1,0,0|1,0,2]=4 9662 B12R1.45 CCC1CCCN1CCCOC 2230a_100000754278_100000740836 [0,0,0,1,0,0|3,0,0]=4 9663 B12R1.45 CCC1CCCN1CCCOC 269982a_100000754278_100000740836 [0,0,0,1,0,0|3,0,0]=4 9664 B12R1.45 CCC1CCCN1CCCOC 34a_100000754278_100000740836 [0,0,0,1,0,0|3,0,0]=4 9665 B12R1.45 CCCCCC1CCCC1NC 269862a_106832991636_200000198059 [0,0,0,1,0,0|2,0,0]=3 9666 B12R1.45 CCCCCC1CCCC1NC 270004a_106832991635_200000198059 [0,0,0,1,0,0|2,0,0]=3 9667 B12R1.45 CCCCCN1CCCC1C#N 2230a_100000701862_100000210326 [0,0,0,1,0,0|2,0,1]=4 9668 B12R1.45 CCCCCN1CCCC1CC 2230a_100000754278_100000210326 [0,0,0,1,0,0|2,0,1]=4 9669 B12R1.45 CCCCCN1CCCC1CC 269982a_100000754278_100000210215 [0,0,0,1,0,0|2,0,1]=4 9670 B12R1.45 CCCCCN1CCCC1CC 34a_100000754278_100000718602 [0,0,0,1,0,0|2,0,1]=4 9671 B12R1.45 CCCCCN1CCC[C@@H]1C#N 2230a_106645074975_100000210326 [0,0,0,1,0,0|2,0,1]=4 9672 B12R1.45 CCCCCN1CCC[C@@H]1C#N 269982a_106645074975_100000210215 [0,0,0,1,0,0|2,0,1]=4 9673 B12R1.45 CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210326 [0,0,0,1,0,0|1,0,2]=4 9674 B12R1.45 CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210215 [0,0,0,1,0,0|1,0,2]=4 9675 B12R1.45 CCCCCN1CCC[C@@H]1CO 34a_100000745186_100000718602 [0,0,0,1,0,0|1,0,2]=4 9676 B12R1.45 CCCCNC1CCCC1CC 269862a_100000102301_100000749056 [0,0,0,1,0,0|2,0,1]=4 9677 B12R1.45 CCCCNC1CCCC1CC 270004a_100000102301_100000749056 [0,0,0,1,0,0|2,0,1]=4 9678 B12R1.45 CCCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000210210 [0,0,0,1,0,0|2,0,1]=4 9679 B12R1.45 CCCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000210211 [0,0,0,1,0,0|2,0,1]=4 9680 B12R1.45 CCN1CCCC1CNCC=O 2230a_100000211693_200015260668 [0,0,0,1,0,0|2,0,0]=3 9681 B12R1.45 CCN1CCC[C@@H]1COCC=O 34a_100011739246_200009817547 [0,0,0,1,0,0|2,0,0]=3 9682 B12R1.45 CCN1CCC[C@@H]1COCC=O 7a_100011739246_200015260668 [0,0,0,1,0,0|2,0,0]=3 9683 B12R1.45 N#CC1CCCN1CCCC=O 2230a_100000701862_200011292268 [0,0,0,1,0,0|2,0,1]=4 9684 B12R1.45 N#C[C@H]1CCCN1CCCC=O 2230a_106645074975_200011292268 [0,0,0,1,0,0|2,0,1]=4 9685 B12R1.45 N#C[C@H]1CCCN1CCCC=O 269982a_106645074975_200011292268 [0,0,0,1,0,0|2,0,1]=4 9686 B12R1.45 O=CCCCN1CCC[C@@H]1CO 2230a_100000745186_200011292268 [0,0,0,1,0,0|2,0,0]=3 9687 B12R1.45 O=CCCCN1CCC[C@@H]1CO 269982a_100000745186_200011292268 [0,0,0,1,0,0|2,0,0]=3 9688 B12R1.121 C#CC1CCCCN1CCCC 2230a_200020621307_100000210211 [0,0,0,1,0,0|2,0,1]=4 9689 B12R1.121 C#CC1CCCCN1CCCC 269982a_200020621307_100000210211 [0,0,0,1,0,0|2,0,1]=4 9690 B12R1.121 C#CC1CCCCN1CCCC 34a_200020621307_100000210210 [0,0,0,1,0,0|2,0,1]=4 9691 B12R1.121 C#CCCN1CCCCC1CC 2230a_100000210034_100000688953 [0,0,0,1,0,0|2,0,1]=4 9692 B12R1.121 C#CCCN1CCCCC1CC 269982a_100000210034_100000730999 [0,0,0,1,0,0|2,0,1]=4 9693 B12R1.121 C#CCCN1CCCCC1CC 34a_100000210034_100000688953 [0,0,0,1,0,0|2,0,1]=4 9694 B12R1.121 C#CCOC1CCCCC1CC 34a_100000210738_100000184674 [0,0,0,1,0,0|2,0,1]=4 9695 B12R1.121 C#CCOC1CCCCC1CC 7a_100000210738_100000038162 [0,0,0,1,0,0|2,0,1]=4 9696 B12R1.121 C/C=C/CN1CCCCC1CC 269982a_100000210034_100102629194 [0,0,0,1,0,0|2,0,1]=4 9697 B12R1.121 C/C=C/CN1CCCCC1CC 34a_100000210034_100102629194 [0,0,0,1,0,0|2,0,1]=4 9698 B12R1.121 C=CCCN1CCCCC1CC 2230a_100000210034_100000754431 [0,0,0,1,0,0|2,0,0]=3 9699 B12R1.121 C=CCCN1CCCCC1CC 269982a_100000210034_100000754431 [0,0,0,1,0,0|2,0,0]=3 9700 B12R1.121 C=CCCN1CCCCC1CC 34a_100000210034_100000754431 [0,0,0,1,0,0|2,0,0]=3 9701 B12R1.121 C=CCCN1CCCCC1CO 2230a_100000210821_100000754431 [0,0,0,1,0,0|3,0,0]=4 9702 B12R1.121 C=CCCN1CCCCC1CO 269982a_100000210821_100000754431 [0,0,0,1,0,0|3,0,0]=4 9703 B12R1.121 C=CCCN1CCCCC1CO 34a_100000210821_100000754431 [0,0,0,1,0,0|3,0,0]=4 9704 B12R1.121 C=CCCN1CCOC[C@@H]1CC 2230a_100016988097_100000754431 [0,0,0,1,0,0|3,0,0]=4 9705 B12R1.121 C=CCCN1CCOC[C@@H]1CC 269982a_100016988097_100000754431 [0,0,0,1,0,0|3,0,0]=4 9706 B12R1.121 C=CCCN1CCOC[C@@H]1CC 34a_100016988097_100000754431 [0,0,0,1,0,0|3,0,0]=4 9707 B12R1.121 C=CCNC1CCCCC1CC 270004a_100020586998_100000757040 [0,0,0,1,0,0|2,0,0]=3 9708 B12R1.121 C=CCNC1CCCCC1CO 270004a_100020586998_100009861125 [0,0,0,1,0,0|3,0,0]=4 9709 B12R1.121 C=CCNC1CCCCC1OC 270004a_100020586998_100000740605 [0,0,0,1,0,0|3,0,0]=4 9710 B12R1.121 C=CCNC1CCCCC1OC 34a_100011208099_100015514636 [0,0,0,1,0,0|3,0,0]=4 9711 B12R1.121 C=CCOC1CCCCC1CC 34a_100000210738_100015514636 [0,0,0,1,0,0|2,0,0]=3 9712 B12R1.121 C=CCOC1CCCCC1CC 7a_100000210738_100015514636 [0,0,0,1,0,0|2,0,0]=3 9713 B12R1.121 C=CCOC1CCCCC1CN 34a_100011216029_100015514636 [0,0,0,1,0,0|3,0,0]=4 9714 B12R1.121 C=CCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100015514636 [0,0,0,1,0,0|3,0,0]=4 9715 B12R1.121 C=CCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100015514636 [0,0,0,1,0,0|3,0,0]=4 9716 B12R1.121 C=CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100015514636 [0,0,0,1,0,0|3,0,0]=4 9717 B12R1.121 CC=CCN1CCCCC1CC 2230a_100000210034_100000070051 [0,0,0,1,0,0|2,0,1]=4 9718 B12R1.121 CC=CCN1CCCCC1CC 34a_100000210034_100000070051 [0,0,0,1,0,0|2,0,1]=4 9719 B12R1.121 CCC1CCCCC1NCCF 269862a_100000724931_100000757040 [0,0,0,1,0,0|2,0,1]=4 9720 B12R1.121 CCC1CCCCC1NCCO 269862a_100000210304_100000757040 [0,0,0,1,0,0|1,0,2]=4 9721 B12R1.121 CCC1CCCCC1NCCO 270004a_100000210304_100000757040 [0,0,0,1,0,0|1,0,2]=4 9722 B12R1.121 CCC1CCCCC1OCC#N 7a_100000210738_100011215382 [0,0,0,1,0,0|2,0,1]=4 9723 B12R1.121 CCC1CCCCC1OCC=O 34a_100000210738_200009817547 [0,0,0,1,0,0|1,0,0]=2 9724 B12R1.121 CCC1CCCCC1OCC=O 7a_100000210738_200015260668 [0,0,0,1,0,0|1,0,0]=2 9725 B12R1.121 CCC1CCCCC1OCCF 34a_100000210738_100011217306 [0,0,0,1,0,0|2,0,1]=4 9726 B12R1.121 CCC1CCCCC1OCCF 7a_100000210738_100011217306 [0,0,0,1,0,0|2,0,1]=4 9727 B12R1.121 CCC1CCCCC1OCCO 34a_100000210738_100000211926 [0,0,0,1,0,0|1,0,2]=4 9728 B12R1.121 CCC1CCCCC1OCCO 7a_100000210738_100000211926 [0,0,0,1,0,0|1,0,2]=4 9729 B12R1.121 CCC1CCCCC1OCSC 34a_100000210738_100011218213 [0,0,0,1,0,0|3,0,0]=4 9730 B12R1.121 CCC1CCCCN1CCC#N 2230a_100000210034_100011215226 [0,0,0,1,0,0|2,0,1]=4 9731 B12R1.121 CCC1CCCCN1CCC#N 269982a_100000210034_100011215226 [0,0,0,1,0,0|2,0,1]=4 9732 B12R1.121 CCC1CCCCN1CCCF 2230a_100000210034_100011934791 [0,0,0,1,0,0|2,0,1]=4 9733 B12R1.121 CCC1CCCCN1CCCF 269982a_100000210034_100011934791 [0,0,0,1,0,0|2,0,1]=4 9734 B12R1.121 CCC1CCCCN1CCCF 34a_100000210034_100011934791 [0,0,0,1,0,0|2,0,1]=4 9735 B12R1.121 CCC1CCCCN1CCCO 2230a_100000210034_100000230001 [0,0,0,1,0,0|1,0,2]=4 9736 B12R1.121 CCC1CCCCN1CCCO 269982a_100000210034_100011215043 [0,0,0,1,0,0|1,0,2]=4 9737 B12R1.121 CCC1CCCCN1CCCO 34a_100000210034_100000230001 [0,0,0,1,0,0|1,0,2]=4 9738 B12R1.121 CCC1CCCCN1CCNC 2230a_100000755458_200000210301 [0,0,0,1,0,0|3,0,0]=4 9739 B12R1.121 CCC1CCCCN1CCNC 34a_100000755458_200000210301 [0,0,0,1,0,0|3,0,0]=4 9740 B12R1.121 CCC1CCCCN1CCN[13CH3] 2230a_100000755458_200025704644 [0,0,0,1,0,0|3,0,0]=4 9741 B12R1.121 CCC1CCCCN1CCN[13CH3] 34a_100000755458_200025704644 [0,0,0,1,0,0|3,0,0]=4 9742 B12R1.121 CCC1CCCCN1CCOC 2230a_100000210034_100011201679 [0,0,0,1,0,0|3,0,0]=4 9743 B12R1.121 CCC1CCCCN1CCOC 269982a_100000210034_100000233755 [0,0,0,1,0,0|3,0,0]=4 9744 B12R1.121 CCC1CCCCN1CCOC 34a_100000210034_100011201679 [0,0,0,1,0,0|3,0,0]=4 9745 B12R1.121 CCC1CCCCN1CCSC 2230a_100000210034_100000751147 [0,0,0,1,0,0|3,0,0]=4 9746 B12R1.121 CCC1CCCCN1CCSC 269982a_100000210034_100000212216 [0,0,0,1,0,0|3,0,0]=4 9747 B12R1.121 CCC1CCCCN1CCSC 34a_100000210034_100000212216 [0,0,0,1,0,0|3,0,0]=4 9748 B12R1.121 CCCCN1CCCCC1C#N 34a_100016989756_100000210210 [0,0,0,1,0,0|2,0,1]=4 9749 B12R1.121 CCCCN1CCCCC1CC 2230a_100000210034_100000210211 [0,0,0,1,0,0|2,0,1]=4 9750 B12R1.121 CCCCN1CCCCC1CC 269982a_100000210034_100000210211 [0,0,0,1,0,0|2,0,1]=4 9751 B12R1.121 CCCCN1CCCCC1CC 34a_100000210034_100000210210 [0,0,0,1,0,0|2,0,1]=4 9752 B12R1.121 CCCCN1CCCCC1CO 2230a_100000210821_100000210211 [0,0,0,1,0,0|1,0,2]=4 9753 B12R1.121 CCCCN1CCCCC1CO 269982a_100000210821_100000210211 [0,0,0,1,0,0|1,0,2]=4 9754 B12R1.121 CCCCN1CCCCC1CO 34a_100000210821_100000210210 [0,0,0,1,0,0|1,0,2]=4 9755 B12R1.121 CCCNC1CCCCC1CC 269862a_100020643023_100000757040 [0,0,0,1,0,0|2,0,1]=4 9756 B12R1.121 CCCNC1CCCCC1CC 270004a_100020643023_100000757040 [0,0,0,1,0,0|2,0,1]=4 9757 B12R1.121 CCCNC1CCCCC1CO 270004a_100020643023_100009861125 [0,0,0,1,0,0|1,0,2]=4 9758 B12R1.121 CCCNC1CCCCC1OC 270004a_100020643023_100000740605 [0,0,0,1,0,0|3,0,0]=4 9759 B12R1.121 CCCNC1CCCCC1OC 34a_100011208099_100000210303 [0,0,0,1,0,0|3,0,0]=4 9760 B12R1.121 CCCOC1CCCCC1CC 34a_100000210738_100000210303 [0,0,0,1,0,0|2,0,1]=4 9761 B12R1.121 CCCOC1CCCCC1CC 7a_100000210738_100000210303 [0,0,0,1,0,0|2,0,1]=4 9762 B12R1.121 CCCOC1CCCCC1CN 34a_100011216029_100000210303 [0,0,0,1,0,0|2,0,1]=4 9763 B12R1.121 CCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210303 [0,0,0,1,0,0|3,0,0]=4 9764 B12R1.121 CCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210303 [0,0,0,1,0,0|3,0,0]=4 9765 B12R1.121 CCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210303 [0,0,0,1,0,0|3,0,0]=4 9766 B12R1.121 CCN1CCCCC1CCCO 2230a_100011934581_100000210202 [0,0,0,1,0,0|1,0,2]=4 9767 B12R1.121 CCN1CCCCC1CCCO 269982a_100011934581_100000204670 [0,0,0,1,0,0|1,0,2]=4 9768 B12R1.121 CCN1CCCCC1CCCO 34a_100011934581_100000210202 [0,0,0,1,0,0|1,0,2]=4 9769 B12R1.121 CCN1CCCCC1CCOC 2230a_100015186528_100000210202 [0,0,0,1,0,0|3,0,0]=4 9770 B12R1.121 CCN1CCCCC1CCOC 269982a_100015186528_100000204670 [0,0,0,1,0,0|3,0,0]=4 9771 B12R1.121 CCN1CCCCC1CCOC 34a_100015186528_100000210202 [0,0,0,1,0,0|3,0,0]=4 9772 B12R1.121 CNC1CCCCC1CCC#N 270004a_106832991635_100000034616 [0,0,0,1,0,0|2,0,1]=4 9773 B12R1.121 CN[C@@H]1CCCC[C@H]1OCC=O 34a_100000708425_200009817547 [0,0,0,1,0,0|2,0,0]=3 9774 B12R1.121 COC1CCCCC1NCC=O 34a_100011208099_200009817547 [0,0,0,1,0,0|2,0,0]=3 9775 B12R1.121 CO[C@H]1CCCC[C@@H]1OCC=O 34a_200009815850_200009817547 [0,0,0,1,0,0|2,0,0]=3 9776 B12R1.121 CO[C@H]1CCCC[C@@H]1OCC=O 7a_200009815850_200015260668 [0,0,0,1,0,0|2,0,0]=3 9777 B12R1.121 NCC1CCCCC1OCC=O 34a_100011216029_200009817547 [0,0,0,1,0,0|2,0,0]=3 9778 B12R1.121 O=CCNC1CCOCC1CO 2230a_214813039666_200015260668 [0,0,0,1,0,0|3,0,0]=4 9779 B12R1.121 O=CCNC1CCOCC1CO 34a_214813039666_200009817547 [0,0,0,1,0,0|3,0,0]=4 9780 B12R1.169 C#CCN1CCCCC1CCC 2230a_100000701414_100000038162 [0,0,0,1,0,0|2,0,1]=4 9781 B12R1.169 C#CCN1CCCCC1CCC 34a_100000701414_100000184674 [0,0,0,1,0,0|2,0,1]=4 9782 B12R1.169 C=CCC1CCCCC1NCC 269862a_100015525214_100011214939 [0,0,0,1,0,0|2,0,0]=3 9783 B12R1.169 C=CCC1CCCCC1NCC 270004a_100015525214_100011214939 [0,0,0,1,0,0|2,0,0]=3 9784 B12R1.169 C=CCN1CCCCC1CCC 2230a_100000701414_100000210623 [0,0,0,1,0,0|2,0,0]=3 9785 B12R1.169 C=CCN1CCCCC1CCC 269982a_100000701414_100000210623 [0,0,0,1,0,0|2,0,0]=3 9786 B12R1.169 C=CCN1CCCCC1CCC 34a_100000701414_100015514636 [0,0,0,1,0,0|2,0,0]=3 9787 B12R1.169 C=CCN1CCCCC1CCO 2230a_100000211664_100000210623 [0,0,0,1,0,0|3,0,0]=4 9788 B12R1.169 C=CCN1CCCCC1CCO 269982a_100000211664_100000210623 [0,0,0,1,0,0|3,0,0]=4 9789 B12R1.169 C=CCN1CCCCC1CCO 34a_100000211664_100015514636 [0,0,0,1,0,0|3,0,0]=4 9790 B12R1.169 C=CCN1CCCCC1COC 2230a_100015184032_100000210623 [0,0,0,1,0,0|3,0,0]=4 9791 B12R1.169 C=CCN1CCCCC1COC 269982a_100015184032_100000210623 [0,0,0,1,0,0|3,0,0]=4 9792 B12R1.169 C=CCN1CCCCC1COC 34a_100015184032_100015514636 [0,0,0,1,0,0|3,0,0]=4 9793 B12R1.169 C=CCN1CCOCC1CCC 2230a_102495339903_100000210623 [0,0,0,1,0,0|3,0,0]=4 9794 B12R1.169 C=CCN1CCOCC1CCC 269982a_102495339903_100000210623 [0,0,0,1,0,0|3,0,0]=4 9795 B12R1.169 C=CCN1CCOCC1CCC 34a_102495339903_100015514636 [0,0,0,1,0,0|3,0,0]=4 9796 B12R1.169 CCCC1CCCCC1NCC 269862a_100015525214_100011218038 [0,0,0,1,0,0|2,0,1]=4 9797 B12R1.169 CCCC1CCCCC1NCC 270004a_100015525214_100011218038 [0,0,0,1,0,0|2,0,1]=4 9798 B12R1.169 CCCC1CCCCC1OCC 34a_100011217265_100000210202 [0,0,0,1,0,0|2,0,1]=4 9799 B12R1.169 CCCC1CCCCC1OCC 7a_100011217265_100000210202 [0,0,0,1,0,0|2,0,1]=4 9800 B12R1.169 CCCC1CCCCC1OCF 34a_100011217265_100015361967 [0,0,0,1,0,0|2,0,1]=4 9801 B12R1.169 CCCC1CCCCC1OCF 7a_100011217265_100015361967 [0,0,0,1,0,0|2,0,1]=4 9802 B12R1.169 CCCC1CCCCN1CC#N 2230a_100000701414_100011215382 [0,0,0,1,0,0|2,0,1]=4 9803 B12R1.169 CCCC1CCCCN1CC#N 269982a_100000701414_100011214920 [0,0,0,1,0,0|2,0,1]=4 9804 B12R1.169 CCCC1CCCCN1CC=O 2230a_100000701414_200015260668 [0,0,0,1,0,0|1,0,0]=2 9805 B12R1.169 CCCC1CCCCN1CC=O 269982a_100000701414_200015260668 [0,0,0,1,0,0|1,0,0]=2 9806 B12R1.169 CCCC1CCCCN1CC=O 34a_100000701414_200009817547 [0,0,0,1,0,0|1,0,0]=2 9807 B12R1.169 CCCC1CCCCN1CCC 2230a_100000701414_100000210303 [0,0,0,1,0,0|2,0,1]=4 9808 B12R1.169 CCCC1CCCCN1CCC 269982a_100000701414_100000210303 [0,0,0,1,0,0|2,0,1]=4 9809 B12R1.169 CCCC1CCCCN1CCC 34a_100000701414_100000210303 [0,0,0,1,0,0|2,0,1]=4 9810 B12R1.169 CCCC1CCCCN1CCF 2230a_100000701414_100011217306 [0,0,0,1,0,0|2,0,1]=4 9811 B12R1.169 CCCC1CCCCN1CCF 269982a_100000701414_100011217306 [0,0,0,1,0,0|2,0,1]=4 9812 B12R1.169 CCCC1CCCCN1CCF 34a_100000701414_100011217306 [0,0,0,1,0,0|2,0,1]=4 9813 B12R1.169 CCCC1CCCCN1CCO 2230a_100000701414_100000211926 [0,0,0,1,0,0|1,0,2]=4 9814 B12R1.169 CCCC1CCCCN1CCO 269982a_100000701414_100000211926 [0,0,0,1,0,0|1,0,2]=4 9815 B12R1.169 CCCC1CCCCN1CCO 34a_100000701414_100000211926 [0,0,0,1,0,0|1,0,2]=4 9816 B12R1.169 CCCC1CCCCN1COC 2230a_100000701414_100000766300 [0,0,0,1,0,0|3,0,0]=4 9817 B12R1.169 CCCC1CCCCN1COC 269982a_100000701414_100000766300 [0,0,0,1,0,0|3,0,0]=4 9818 B12R1.169 CCCC1CCCCN1CSC 2230a_100000701414_100011218213 [0,0,0,1,0,0|3,0,0]=4 9819 B12R1.169 CCCC1CCCCN1CSC 269982a_100000701414_100011218213 [0,0,0,1,0,0|3,0,0]=4 9820 B12R1.169 CCCC1CCCCN1CSC 34a_100000701414_100011218213 [0,0,0,1,0,0|3,0,0]=4 9821 B12R1.169 CCCC1COCCN1CC=O 2230a_102495339903_200015260668 [0,0,0,1,0,0|2,0,0]=3 9822 B12R1.169 CCCC1COCCN1CC=O 269982a_102495339903_200015260668 [0,0,0,1,0,0|2,0,0]=3 9823 B12R1.169 CCCC1COCCN1CC=O 34a_102495339903_200009817547 [0,0,0,1,0,0|2,0,0]=3 9824 B12R1.169 CCCN1CCCCC1CC#N 2230a_100000133382_100000210303 [0,0,0,1,0,0|2,0,1]=4 9825 B12R1.169 CCCN1CCCCC1CC#N 34a_100000133382_100000210303 [0,0,0,1,0,0|2,0,1]=4 9826 B12R1.169 CCCN1CCCCC1CCO 2230a_100000211664_100000210303 [0,0,0,1,0,0|1,0,2]=4 9827 B12R1.169 CCCN1CCCCC1CCO 269982a_100000211664_100000210303 [0,0,0,1,0,0|1,0,2]=4 9828 B12R1.169 CCCN1CCCCC1CCO 34a_100000211664_100000210303 [0,0,0,1,0,0|1,0,2]=4 9829 B12R1.169 CCCN1CCCCC1COC 2230a_100015184032_100000210303 [0,0,0,1,0,0|3,0,0]=4 9830 B12R1.169 CCCN1CCCCC1COC 269982a_100015184032_100000210303 [0,0,0,1,0,0|3,0,0]=4 9831 B12R1.169 CCCN1CCCCC1COC 34a_100015184032_100000210303 [0,0,0,1,0,0|3,0,0]=4 9832 B12R1.169 CCNC1CCCCC1CC#N 270004a_100015525214_100009866218 [0,0,0,1,0,0|2,0,1]=4 9833 B12R1.169 COCC1CCCCN1CC=O 2230a_100015184032_200015260668 [0,0,0,1,0,0|2,0,0]=3 9834 B12R1.169 COCC1CCCCN1CC=O 269982a_100015184032_200015260668 [0,0,0,1,0,0|2,0,0]=3 9835 B12R1.169 COCC1CCCCN1CC=O 34a_100015184032_200009817547 [0,0,0,1,0,0|2,0,0]=3 9836 B12R1.169 COC[C@H]1COCCN1CC=O 2230a_100016989928_200015260668 [0,0,0,1,0,0|3,0,0]=4 9837 B12R1.169 COC[C@H]1COCCN1CC=O 269982a_100016989928_200015260668 [0,0,0,1,0,0|3,0,0]=4 9838 B12R1.169 COC[C@H]1COCCN1CC=O 34a_100016989928_200009817547 [0,0,0,1,0,0|3,0,0]=4 9839 B12R1.169 N#CCC1CCCCN1CC=O 2230a_100000133382_200015260668 [0,0,0,1,0,0|2,0,1]=4 9840 B12R1.169 N#CCC1CCCCN1CC=O 34a_100000133382_200009817547 [0,0,0,1,0,0|2,0,1]=4 9841 B12R1.169 O=CCN1CCCCC1CCO 2230a_100000211664_200015260668 [0,0,0,1,0,0|2,0,0]=3 9842 B12R1.169 O=CCN1CCCCC1CCO 269982a_100000211664_200015260668 [0,0,0,1,0,0|2,0,0]=3 9843 B12R1.169 O=CCN1CCCCC1CCO 34a_100000211664_200009817547 [0,0,0,1,0,0|2,0,0]=3 9844 B12R1.173 C#CCN1CCCCCCCC1 2230a_100000039187_100000038162 [0,0,0,1,0,0|2,0,1]=4 9845 B12R1.173 C#CCN1CCCCCCCC1 34a_100000039187_100000184674 [0,0,0,1,0,0|2,0,1]=4 9846 B12R1.173 C=CCN1CCCCCCCC1 2230a_100000039187_100000210623 [0,0,0,1,0,0|2,0,0]=3 9847 B12R1.173 C=CCN1CCCCCCCC1 269982a_100000039187_100000210623 [0,0,0,1,0,0|2,0,0]=3 9848 B12R1.173 C=CCN1CCCCCCCC1 34a_100000039187_100015514636 [0,0,0,1,0,0|2,0,0]=3 9849 B12R1.173 CCCN1CCCCCCCC1 2230a_100000039187_100000210303 [0,0,0,1,0,0|2,0,1]=4 9850 B12R1.173 CCCN1CCCCCCCC1 269982a_100000039187_100000210303 [0,0,0,1,0,0|2,0,1]=4 9851 B12R1.173 CCCN1CCCCCCCC1 34a_100000039187_100000210303 [0,0,0,1,0,0|2,0,1]=4 9852 B12R1.173 CCNC1CCCCCCCC1 270004a_100015525214_100000038600 [0,0,0,1,0,0|2,0,1]=4 9853 B12R1.173 COCN1CCCCCCCC1 2230a_100000039187_100000766300 [0,0,0,1,0,0|3,0,0]=4 9854 B12R1.173 COCN1CCCCCCCC1 269982a_100000039187_100000766300 [0,0,0,1,0,0|3,0,0]=4 9855 B12R1.173 CSCN1CCCCCCCC1 2230a_100000039187_100011218213 [0,0,0,1,0,0|3,0,0]=4 9856 B12R1.173 CSCN1CCCCCCCC1 269982a_100000039187_100011218213 [0,0,0,1,0,0|3,0,0]=4 9857 B12R1.173 CSCN1CCCCCCCC1 34a_100000039187_100011218213 [0,0,0,1,0,0|3,0,0]=4 9858 B12R1.173 FCCN1CCCCCCCC1 2230a_100000039187_100011217306 [0,0,0,1,0,0|2,0,1]=4 9859 B12R1.173 FCCN1CCCCCCCC1 269982a_100000039187_100011217306 [0,0,0,1,0,0|2,0,1]=4 9860 B12R1.173 FCCN1CCCCCCCC1 34a_100000039187_100011217306 [0,0,0,1,0,0|2,0,1]=4 9861 B12R1.173 N#CCN1CCCCCCCC1 2230a_100000039187_100011215382 [0,0,0,1,0,0|2,0,1]=4 9862 B12R1.173 N#CCN1CCCCCCCC1 269982a_100000039187_100011214920 [0,0,0,1,0,0|2,0,1]=4 9863 B12R1.173 O=CCN1CCCCCCCC1 2230a_100000039187_200015260668 [0,0,0,1,0,0|1,0,0]=2 9864 B12R1.173 O=CCN1CCCCCCCC1 269982a_100000039187_200015260668 [0,0,0,1,0,0|1,0,0]=2 9865 B12R1.173 O=CCN1CCCCCCCC1 34a_100000039187_200009817547 [0,0,0,1,0,0|1,0,0]=2 9866 B12R1.173 OCCN1CCCCCCCC1 2230a_100000039187_100000211926 [0,0,0,1,0,0|1,0,2]=4 9867 B12R1.173 OCCN1CCCCCCCC1 269982a_100000039187_100000211926 [0,0,0,1,0,0|1,0,2]=4 9868 B12R1.173 OCCN1CCCCCCCC1 34a_100000039187_100000211926 [0,0,0,1,0,0|1,0,2]=4 9869 B12R1.267 C#CCCCN1CCCCC1C 2230a_100000211376_100000731252 [0,0,0,1,0,0|2,0,1]=4 9870 B12R1.267 C#CCCCN1CCCCC1C 269982a_100000211376_100011215417 [0,0,0,1,0,0|2,0,1]=4 9871 B12R1.267 C#CCCCN1CCCCC1C 34a_100000211376_100000695029 [0,0,0,1,0,0|2,0,1]=4 9872 B12R1.267 C#CCCNC1CCCCC1=O 34a_100000755551_100000754470 [0,0,0,1,0,0|1,0,2]=4 9873 B12R1.267 C#CCCNC1CCCCC1C 2230a_100000211402_100000688953 [0,0,0,1,0,0|2,0,1]=4 9874 B12R1.267 C#CCCNC1CCCCC1C 34a_100000211402_100000688953 [0,0,0,1,0,0|2,0,1]=4 9875 B12R1.267 C#CCCOC1CCCCC1=O 34a_100011214950_100000688953 [0,0,0,1,0,0|1,0,2]=4 9876 B12R1.267 C#CCCOC1CCCCC1=O 34a_100011215631_100000754470 [0,0,0,1,0,0|1,0,2]=4 9877 B12R1.267 C#CCCOC1CCCCC1C 34a_100000211207_100000688953 [0,0,0,1,0,0|2,0,1]=4 9878 B12R1.267 C#CCCOC1CCCCC1C 7a_100000211207_100000688953 [0,0,0,1,0,0|2,0,1]=4 9879 B12R1.267 C#CCCSC1CCCCC1=O 62a_100000204591_100000688953 [0,0,0,1,0,0|1,0,2]=4 9880 B12R1.267 C#CCCSC1CCCCC1=O 62a_100000688953_100000204591 [0,0,0,1,0,0|1,0,2]=4 9881 B12R1.267 C#CCOCC1CCCCC1=O 34a_100009861125_100000184674 [0,0,0,1,0,0|1,0,2]=4 9882 B12R1.267 C#CCOCC1CCCCC1=O 7a_100009861125_100000038162 [0,0,0,1,0,0|1,0,2]=4 9883 B12R1.267 C/C=C/CNC1CCCCC1C 34a_100000211402_100102629194 [0,0,0,1,0,0|2,0,1]=4 9884 B12R1.267 C/C=C/COC1CCCCC1=O 34a_100011214950_100102629194 [0,0,0,1,0,0|1,0,2]=4 9885 B12R1.267 C/C=C/COC1CCCCC1=O 34a_100016270725_100000754470 [0,0,0,1,0,0|1,0,2]=4 9886 B12R1.267 C/C=C/COC1CCCCC1C 34a_100000211207_100102629194 [0,0,0,1,0,0|2,0,1]=4 9887 B12R1.267 C/C=C/COC1CCCCC1C 7a_100000211207_100102629194 [0,0,0,1,0,0|2,0,1]=4 9888 B12R1.267 C/C=C/CSC1CCCCC1=O 62a_100000204591_100102629194 [0,0,0,1,0,0|1,0,2]=4 9889 B12R1.267 C/C=C/CSC1CCCCC1=O 62a_100102629194_100000204591 [0,0,0,1,0,0|1,0,2]=4 9890 B12R1.267 C=CCCCN1CCCCC1C 2230a_100000211376_100011713584 [0,0,0,1,0,0|2,0,0]=3 9891 B12R1.267 C=CCCCN1CCCCC1C 269982a_100000211376_100000757094 [0,0,0,1,0,0|2,0,0]=3 9892 B12R1.267 C=CCCCN1CCCCC1C 34a_100000211376_100000757094 [0,0,0,1,0,0|2,0,0]=3 9893 B12R1.267 C=CCCCN1CCOC[C@@H]1C 2230a_100009815349_100011713584 [0,0,0,1,0,0|3,0,0]=4 9894 B12R1.267 C=CCCCN1CCOC[C@@H]1C 269982a_100009815349_100000757094 [0,0,0,1,0,0|3,0,0]=4 9895 B12R1.267 C=CCCCN1CCOC[C@@H]1C 34a_100009815349_100000757094 [0,0,0,1,0,0|3,0,0]=4 9896 B12R1.267 C=CCCNC1CCCCC1C 2230a_100000211402_100000754431 [0,0,0,1,0,0|2,0,0]=3 9897 B12R1.267 C=CCCNC1CCCCC1C 269862a_100015191253_100000210921 [0,0,0,1,0,0|2,0,0]=3 9898 B12R1.267 C=CCCNC1CCCCC1C 270004a_100015191253_100000210921 [0,0,0,1,0,0|2,0,0]=3 9899 B12R1.267 C=CCCNC1CCCCC1C 34a_100000211402_100000754431 [0,0,0,1,0,0|2,0,0]=3 9900 B12R1.267 C=CCCNC1CCNCC1C 270004a_100015191253_100000703950 [0,0,0,1,0,0|3,0,0]=4 9901 B12R1.267 C=CCCNC1CCOCC1C 270004a_100015191253_100000755695 [0,0,0,1,0,0|3,0,0]=4 9902 B12R1.267 C=CCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000754431 [0,0,0,1,0,0|3,0,0]=4 9903 B12R1.267 C=CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000754431 [0,0,0,1,0,0|3,0,0]=4 9904 B12R1.267 C=CCCOC1CCCCC1=O 34a_100011205117_100000754470 [0,0,0,1,0,0|1,0,2]=4 9905 B12R1.267 C=CCCOC1CCCCC1=O 34a_100011214950_100000754431 [0,0,0,1,0,0|1,0,2]=4 9906 B12R1.267 C=CCCOC1CCCCC1C 34a_100000211207_100000754431 [0,0,0,1,0,0|2,0,0]=3 9907 B12R1.267 C=CCCOC1CCCCC1C 7a_100000211207_100000754431 [0,0,0,1,0,0|2,0,0]=3 9908 B12R1.267 C=CCCOC1CCCCC1Cl 34a_100000038908_100000754431 [0,0,0,1,0,0|3,0,0]=4 9909 B12R1.267 C=CCCOC1CCCCC1Cl 7a_100000038908_100000754431 [0,0,0,1,0,0|3,0,0]=4 9910 B12R1.267 C=CCCOC1CCCCC1F 34a_100011205117_100015423560 [0,0,0,1,0,0|3,0,0]=4 9911 B12R1.267 C=CCCOC1CCCCC1O 34a_100011205117_100000038908 [0,0,0,1,0,0|3,0,0]=4 9912 B12R1.267 C=CCCOC1CCNCC1C 34a_100011998114_100000754431 [0,0,0,1,0,0|3,0,0]=4 9913 B12R1.267 C=CCCOC1CNCCC1C 34a_100000696640_100000754431 [0,0,0,1,0,0|3,0,0]=4 9914 B12R1.267 C=CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000754431 [0,0,0,1,0,0|3,0,0]=4 9915 B12R1.267 C=CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000754431 [0,0,0,1,0,0|3,0,0]=4 9916 B12R1.267 C=CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000754431 [0,0,0,1,0,0|3,0,0]=4 9917 B12R1.267 C=CCCSC1CCCCC1=O 62a_100000204591_100000754431 [0,0,0,1,0,0|1,0,2]=4 9918 B12R1.267 C=CCCSC1CCCCC1=O 62a_100000754431_100000204591 [0,0,0,1,0,0|1,0,2]=4 9919 B12R1.267 C=CCCSC1CCCCC1F 62a_100000754431_100015423560 [0,0,0,1,0,0|3,0,0]=4 9920 B12R1.267 C=CCCSC1CCCCC1F 62a_100015423560_100000754431 [0,0,0,1,0,0|3,0,0]=4 9921 B12R1.267 C=CCCSC1CCCCC1O 62a_100000038908_100000754431 [0,0,0,1,0,0|3,0,0]=4 9922 B12R1.267 C=CCCSC1CCCCC1O 62a_100000754431_100000038908 [0,0,0,1,0,0|3,0,0]=4 9923 B12R1.267 C=CCNCC1CCCCC1O 34a_100011216029_100015514636 [0,0,0,1,0,0|3,0,0]=4 9924 B12R1.267 C=CCNCC1CCCCN1C 34a_100011228421_100015514636 [0,0,0,1,0,0|3,0,0]=4 9925 B12R1.267 C=CCOCC1CCCCC1=O 34a_100009861125_100015514636 [0,0,0,1,0,0|1,0,2]=4 9926 B12R1.267 C=CCOCC1CCCCC1=O 7a_100009861125_100015514636 [0,0,0,1,0,0|1,0,2]=4 9927 B12R1.267 C=CCOCC1CCCCN1C 34a_100000225079_100015514636 [0,0,0,1,0,0|3,0,0]=4 9928 B12R1.267 C=CCOCC1CCCCN1C 34a_200000210373_100015186950 [0,0,0,1,0,0|3,0,0]=4 9929 B12R1.267 C=CCSCC1CCCCN1C 62a_100000210623_100015185383 [0,0,0,1,0,0|3,0,0]=4 9930 B12R1.267 C=CCSCC1CCCCN1C 62a_100015185383_100000210623 [0,0,0,1,0,0|3,0,0]=4 9931 B12R1.267 C=COCCN1CCCCC1C 2230a_100000211376_100000039644 [0,0,0,1,0,0|3,0,0]=4 9932 B12R1.267 C=COCCN1CCCCC1C 269982a_100000211376_100000039644 [0,0,0,1,0,0|3,0,0]=4 9933 B12R1.267 C=COCCN1CCCCC1C 34a_100000211376_100000039644 [0,0,0,1,0,0|3,0,0]=4 9934 B12R1.267 CC#CCNC1CCCCC1=O 34a_100000685387_100000754470 [0,0,0,1,0,0|1,0,2]=4 9935 B12R1.267 CC#CCOC1CCCCC1=O 34a_100000761923_100000754470 [0,0,0,1,0,0|1,0,2]=4 9936 B12R1.267 CC#CCOC1CCCCC1=O 34a_100011214950_100000748600 [0,0,0,1,0,0|1,0,2]=4 9937 B12R1.267 CC#CCSC1CCCCC1=O 62a_100000204591_100000748600 [0,0,0,1,0,0|1,0,2]=4 9938 B12R1.267 CC#CCSC1CCCCC1=O 62a_100000748600_100000204591 [0,0,0,1,0,0|1,0,2]=4 9939 B12R1.267 CC1CC=CCC1COCC=O 34a_100000211322_200009817547 [0,0,0,1,0,0|1,0,2]=4 9940 B12R1.267 CC1CCCCC1NCCC#N 2230a_100000211402_100011215226 [0,0,0,1,0,0|2,0,1]=4 9941 B12R1.267 CC1CCCCC1NCCC#N 270004a_100000720768_100000210921 [0,0,0,1,0,0|2,0,1]=4 9942 B12R1.267 CC1CCCCC1NCCCF 2230a_100000211402_100011934791 [0,0,0,1,0,0|2,0,1]=4 9943 B12R1.267 CC1CCCCC1NCCCF 269862a_100015189416_100000210921 [0,0,0,1,0,0|2,0,1]=4 9944 B12R1.267 CC1CCCCC1NCCCF 270004a_100015189416_100000210921 [0,0,0,1,0,0|2,0,1]=4 9945 B12R1.267 CC1CCCCC1NCCCF 34a_100000211402_100011934791 [0,0,0,1,0,0|2,0,1]=4 9946 B12R1.267 CC1CCCCC1NCCCO 2230a_100000211402_100000230001 [0,0,0,1,0,0|1,0,2]=4 9947 B12R1.267 CC1CCCCC1NCCCO 269862a_100000182051_100000210921 [0,0,0,1,0,0|1,0,2]=4 9948 B12R1.267 CC1CCCCC1NCCCO 270004a_100000182051_100000210921 [0,0,0,1,0,0|1,0,2]=4 9949 B12R1.267 CC1CCCCC1NCCCO 34a_100000211402_100000230001 [0,0,0,1,0,0|1,0,2]=4 9950 B12R1.267 CC1CCCCC1OCCC#N 7a_100000211207_100000184422 [0,0,0,1,0,0|2,0,1]=4 9951 B12R1.267 CC1CCCCC1OCCCF 34a_100000211207_100011934791 [0,0,0,1,0,0|2,0,1]=4 9952 B12R1.267 CC1CCCCC1OCCCF 7a_100000211207_100011934791 [0,0,0,1,0,0|2,0,1]=4 9953 B12R1.267 CC1CCCCC1OCCCO 34a_100000211207_100000230001 [0,0,0,1,0,0|1,0,2]=4 9954 B12R1.267 CC1CCCCC1OCCCO 7a_100000211207_100011215043 [0,0,0,1,0,0|1,0,2]=4 9955 B12R1.267 CC1CCCCN1CCCC#N 2230a_100000211376_100000687738 [0,0,0,1,0,0|2,0,1]=4 9956 B12R1.267 CC1CCCCN1CCCC#N 269982a_100000211376_100000687738 [0,0,0,1,0,0|2,0,1]=4 9957 B12R1.267 CC1CCCCN1CCCC=O 2230a_100000211376_200011292268 [0,0,0,1,0,0|1,0,0]=2 9958 B12R1.267 CC1CCCCN1CCCC=O 269982a_100000211376_200011292268 [0,0,0,1,0,0|1,0,0]=2 9959 B12R1.267 CC1CCCCN1CCCCF 2230a_100000211376_100000729493 [0,0,0,1,0,0|2,0,1]=4 9960 B12R1.267 CC1CCCCN1CCCCF 269982a_100000211376_100000729493 [0,0,0,1,0,0|2,0,1]=4 9961 B12R1.267 CC1CCCCN1CCCCF 34a_100000211376_100000729493 [0,0,0,1,0,0|2,0,1]=4 9962 B12R1.267 CC1CCCCN1CCCCO 2230a_100000211376_100000210776 [0,0,0,1,0,0|1,0,2]=4 9963 B12R1.267 CC1CCCCN1CCCCO 269982a_100000211376_100000210776 [0,0,0,1,0,0|1,0,2]=4 9964 B12R1.267 CC1CCCCN1CCCCO 34a_100000211376_100011216708 [0,0,0,1,0,0|1,0,2]=4 9965 B12R1.267 CC1CCCCN1CCCN[13CH3] 34a_100000212276_200025704644 [0,0,0,1,0,0|3,0,0]=4 9966 B12R1.267 CC1CCCCN1CCCO[13CH3] 34a_100000213889_200025704644 [0,0,0,1,0,0|3,0,0]=4 9967 B12R1.267 CC1CCCCN1CCCO[13CH3] 7a_100000213889_200025704644 [0,0,0,1,0,0|3,0,0]=4 9968 B12R1.267 CC=CCNC1CCCCC1C 2230a_100000211402_100000070051 [0,0,0,1,0,0|2,0,1]=4 9969 B12R1.267 CC=CCNC1CCCCC1C 34a_100000211402_100000070051 [0,0,0,1,0,0|2,0,1]=4 9970 B12R1.267 CC=CCOC1CCCCC1=O 34a_100011214950_100000070051 [0,0,0,1,0,0|1,0,2]=4 9971 B12R1.267 CC=CCOC1CCCCC1C 34a_100000211207_100000070051 [0,0,0,1,0,0|2,0,1]=4 9972 B12R1.267 CC=CCOC1CCCCC1C 7a_100000211207_100000070051 [0,0,0,1,0,0|2,0,1]=4 9973 B12R1.267 CC=CCSC1CCCCC1=O 62a_100000070051_100000204591 [0,0,0,1,0,0|1,0,2]=4 9974 B12R1.267 CC=CCSC1CCCCC1=O 62a_100000204591_100000070051 [0,0,0,1,0,0|1,0,2]=4 9975 B12R1.267 CCCCCN1CCCCC1C 2230a_100000211376_100000210326 [0,0,0,1,0,0|2,0,1]=4 9976 B12R1.267 CCCCCN1CCCCC1C 269982a_100000211376_100000210215 [0,0,0,1,0,0|2,0,1]=4 9977 B12R1.267 CCCCCN1CCCCC1C 34a_100000211376_100000718602 [0,0,0,1,0,0|2,0,1]=4 9978 B12R1.267 CCCCNC1CCCCC1=O 7a_106832991798_100000204591 [0,0,0,1,0,0|1,0,0]=2 9979 B12R1.267 CCCCNC1CCCCC1C 2230a_100000211402_100000210211 [0,0,0,1,0,0|2,0,1]=4 9980 B12R1.267 CCCCNC1CCCCC1C 269862a_100000102301_100000210921 [0,0,0,1,0,0|2,0,1]=4 9981 B12R1.267 CCCCNC1CCCCC1C 270004a_100000102301_100000210921 [0,0,0,1,0,0|2,0,1]=4 9982 B12R1.267 CCCCNC1CCCCC1C 34a_100000211402_100000210210 [0,0,0,1,0,0|2,0,1]=4 9983 B12R1.267 CCCCNC1CCCNC1=O 2230a_100000102301_100000687798 [0,0,0,1,0,0|2,0,0]=3 9984 B12R1.267 CCCCNC1CCCNC1=O 2230a_100000747585_100000210211 [0,0,0,1,0,0|2,0,0]=3 9985 B12R1.267 CCCCNC1CCCNC1=O 34a_100000747585_100000210210 [0,0,0,1,0,0|2,0,0]=3 9986 B12R1.267 CCCCNC1CCCNC1=O 7a_106832991798_100000687798 [0,0,0,1,0,0|2,0,0]=3 9987 B12R1.267 CCCCNC1COCCC1=O 7a_106832991798_100012180262 [0,0,0,1,0,0|2,0,0]=3 9988 B12R1.267 CCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210211 [0,0,0,1,0,0|2,0,1]=4 9989 B12R1.267 CCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210210 [0,0,0,1,0,0|2,0,1]=4 9990 B12R1.267 CCCCOC1CCCCC1=O 34a_100000210227_100000754470 [0,0,0,1,0,0|1,0,0]=2 9991 B12R1.267 CCCCOC1CCCCC1=O 34a_100011214950_100000210210 [0,0,0,1,0,0|1,0,0]=2 9992 B12R1.267 CCCCOC1CCCCC1=O 7a_100000210227_100000204591 [0,0,0,1,0,0|1,0,0]=2 9993 B12R1.267 CCCCOC1CCCCC1C 34a_100000211207_100000210210 [0,0,0,1,0,0|2,0,1]=4 9994 B12R1.267 CCCCOC1CCCCC1C 7a_100000211207_100000210211 [0,0,0,1,0,0|2,0,1]=4 9995 B12R1.267 CCCCOC1CCCCC1Cl 34a_100000038908_100000210210 [0,0,0,1,0,0|2,0,1]=4 9996 B12R1.267 CCCCOC1CCCCC1Cl 7a_100000038908_100000210211 [0,0,0,1,0,0|2,0,1]=4 9997 B12R1.267 CCCCOC1CCCCC1F 34a_100000210227_100015423560 [0,0,0,1,0,0|2,0,1]=4 9998 B12R1.267 CCCCOC1CCCCC1O 34a_100000210227_100000038908 [0,0,0,1,0,0|1,0,2]=4 9999 B12R1.267 CCCCOC1CCCNC1=O 34a_100000073722_100000210210 [0,0,0,1,0,0|2,0,0]=3 10000 B12R1.267 CCCCOC1CCCNC1=O 34a_100000210227_100000687798 [0,0,0,1,0,0|2,0,0]=3 10001 B12R1.267 CCCCOC1CCCNC1=O 7a_100000210227_100000687798 [0,0,0,1,0,0|2,0,0]=3 10002 B12R1.267 CCCCOC1COCCC1=O 34a_100000210227_100012180262 [0,0,0,1,0,0|2,0,0]=3 10003 B12R1.267 CCCCOC1COCCC1=O 7a_100000210227_100012180262 [0,0,0,1,0,0|2,0,0]=3 10004 B12R1.267 CCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210210 [0,0,0,1,0,0|2,0,1]=4 10005 B12R1.267 CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210211 [0,0,0,1,0,0|2,0,1]=4 10006 B12R1.267 CCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210210 [0,0,0,1,0,0|2,0,1]=4 10007 B12R1.267 CCCCSC1CCCCC1=O 62a_100000204591_100000210210 [0,0,0,1,0,0|1,0,0]=2 10008 B12R1.267 CCCCSC1CCCCC1=O 62a_100000210211_100000204591 [0,0,0,1,0,0|1,0,0]=2 10009 B12R1.267 CCCCSC1CCCCC1F 62a_100000210211_100015423560 [0,0,0,1,0,0|2,0,1]=4 10010 B12R1.267 CCCCSC1CCCCC1F 62a_100015423560_100000210210 [0,0,0,1,0,0|2,0,1]=4 10011 B12R1.267 CCCCSC1CCCCC1O 62a_100000038908_100000210210 [0,0,0,1,0,0|1,0,2]=4 10012 B12R1.267 CCCCSC1CCCCC1O 62a_100000210211_100000038908 [0,0,0,1,0,0|1,0,2]=4 10013 B12R1.267 CCCCSC1CCCNC1=O 62a_100000210211_100000687798 [0,0,0,1,0,0|2,0,0]=3 10014 B12R1.267 CCCCSC1CCCNC1=O 62a_100000687798_100000210210 [0,0,0,1,0,0|2,0,0]=3 10015 B12R1.267 CCCCSC1COCCC1=O 62a_100000210211_100012180262 [0,0,0,1,0,0|2,0,0]=3 10016 B12R1.267 CCCCSC1COCCC1=O 62a_100012180262_100000210210 [0,0,0,1,0,0|2,0,0]=3 10017 B12R1.267 CCCNCC1CCCCC1O 34a_100011216029_100000210303 [0,0,0,1,0,0|1,0,2]=4 10018 B12R1.267 CCCNCC1CCCCN1C 34a_100011228421_100000210303 [0,0,0,1,0,0|3,0,0]=4 10019 B12R1.267 CCCOCC1CCCCC1=O 34a_100009861125_100000210303 [0,0,0,1,0,0|1,0,0]=2 10020 B12R1.267 CCCOCC1CCCCC1=O 7a_100009861125_100000210303 [0,0,0,1,0,0|1,0,0]=2 10021 B12R1.267 CCCOCC1CCCCN1C 34a_100000210258_100015186950 [0,0,0,1,0,0|3,0,0]=4 10022 B12R1.267 CCCOCC1CCCCN1C 34a_100000225079_100000210303 [0,0,0,1,0,0|3,0,0]=4 10023 B12R1.267 CCCSCC1CCCCN1C 62a_100000210303_100015185383 [0,0,0,1,0,0|3,0,0]=4 10024 B12R1.267 CCCSCC1CCCCN1C 62a_100015185383_100000210303 [0,0,0,1,0,0|3,0,0]=4 10025 B12R1.267 CCNCCC1CCCCN1C 2230a_100015525214_100000211948 [0,0,0,1,0,0|3,0,0]=4 10026 B12R1.267 CCNCCN1CCCCC1=O 2230a_100160573077_100000210202 [0,0,0,1,0,0|2,0,0]=3 10027 B12R1.267 CCNCCN1CCCCC1=O 34a_100160573077_100000210202 [0,0,0,1,0,0|2,0,0]=3 10028 B12R1.267 CCOCCC1CCCCN1C 34a_100121572206_100000211948 [0,0,0,1,0,0|3,0,0]=4 10029 B12R1.267 CCOCCC1NCCNC1=O 34a_100000044719_100000210202 [0,0,0,1,0,0|3,0,0]=4 10030 B12R1.267 CCOCSC1CCCCC1=O 62a_100000204591_100000739092 [0,0,0,1,0,0|2,0,0]=3 10031 B12R1.267 CCOCSC1CCCCC1=O 62a_100000739092_100000204591 [0,0,0,1,0,0|2,0,0]=3 10032 B12R1.267 CCOCSC1CCCNC1=O 62a_100000687798_100000739092 [0,0,0,1,0,0|3,0,0]=4 10033 B12R1.267 CCOCSC1CCCNC1=O 62a_100000739092_100000687798 [0,0,0,1,0,0|3,0,0]=4 10034 B12R1.267 CCOCSC1COCCC1=O 62a_100000739092_100012180262 [0,0,0,1,0,0|3,0,0]=4 10035 B12R1.267 CCOCSC1COCCC1=O 62a_100012180262_100000739092 [0,0,0,1,0,0|3,0,0]=4 10036 B12R1.267 CCSCCC1CCCCN1C 62a_100000210202_100000211948 [0,0,0,1,0,0|3,0,0]=4 10037 B12R1.267 CCSCCC1CCCCN1C 62a_100000211948_100000210202 [0,0,0,1,0,0|3,0,0]=4 10038 B12R1.267 CN1CCCCC1CNCC=O 34a_100011228421_200009817547 [0,0,0,1,0,0|2,0,0]=3 10039 B12R1.267 CN1CCCCC1COCC=O 34a_100000225079_200009817547 [0,0,0,1,0,0|2,0,0]=3 10040 B12R1.267 CN1CCCCC1CSCC=O 62a_100015185383_200015260668 [0,0,0,1,0,0|2,0,0]=3 10041 B12R1.267 CN1CCCCC1CSCC=O 62a_200015260668_100015185383 [0,0,0,1,0,0|2,0,0]=3 10042 B12R1.267 CN1CCOCC1COCC=O 34a_100013547906_200009817547 [0,0,0,1,0,0|3,0,0]=4 10043 B12R1.267 CNCCCN1CCCCC1C 34a_100000212276_200000210301 [0,0,0,1,0,0|3,0,0]=4 10044 B12R1.267 COCCCC1CCCCN1C 2230a_100011804088_200000210301 [0,0,0,1,0,0|3,0,0]=4 10045 B12R1.267 COCCCC1CCCCN1C 269982a_100011804088_200000210301 [0,0,0,1,0,0|3,0,0]=4 10046 B12R1.267 COCCCC1CCCCN1C 34a_100011804088_200000210301 [0,0,0,1,0,0|3,0,0]=4 10047 B12R1.267 COCCCC1CCCCN1[13CH3] 2230a_100011804088_200025704644 [0,0,0,1,0,0|3,0,0]=4 10048 B12R1.267 COCCCC1CCCCN1[13CH3] 269982a_100011804088_200025704644 [0,0,0,1,0,0|3,0,0]=4 10049 B12R1.267 COCCCC1CCCCN1[13CH3] 34a_100011804088_200025704644 [0,0,0,1,0,0|3,0,0]=4 10050 B12R1.267 COCCCN1CCCCC1C 2230a_100000211376_100000740836 [0,0,0,1,0,0|3,0,0]=4 10051 B12R1.267 COCCCN1CCCCC1C 269982a_100000211376_100000740836 [0,0,0,1,0,0|3,0,0]=4 10052 B12R1.267 COCCCN1CCCCC1C 34a_100000211376_100000740836 [0,0,0,1,0,0|3,0,0]=4 10053 B12R1.267 COCCCN1CCCCC1C 34a_100000213889_200000210301 [0,0,0,1,0,0|3,0,0]=4 10054 B12R1.267 COCCCN1CCCCC1C 7a_100000213889_200000210301 [0,0,0,1,0,0|3,0,0]=4 10055 B12R1.267 COCCNC1CCCCC1C 2230a_100000211402_100011201679 [0,0,0,1,0,0|3,0,0]=4 10056 B12R1.267 COCCNC1CCCCC1C 269862a_100000209980_100000210921 [0,0,0,1,0,0|3,0,0]=4 10057 B12R1.267 COCCNC1CCCCC1C 270004a_100000209980_100000210921 [0,0,0,1,0,0|3,0,0]=4 10058 B12R1.267 COCCNC1CCCCC1C 34a_100000211402_100011201679 [0,0,0,1,0,0|3,0,0]=4 10059 B12R1.267 COCCNC1CCCNC1=O 2230a_100000209980_100000687798 [0,0,0,1,0,0|3,0,0]=4 10060 B12R1.267 COCCNC1CCCNC1=O 2230a_100000747585_100011201679 [0,0,0,1,0,0|3,0,0]=4 10061 B12R1.267 COCCNC1CCCNC1=O 34a_100000747585_100011201679 [0,0,0,1,0,0|3,0,0]=4 10062 B12R1.267 COCCOC1CCCCC1=O 34a_100000210237_100000754470 [0,0,0,1,0,0|2,0,0]=3 10063 B12R1.267 COCCOC1CCCCC1=O 34a_100011214950_100011201679 [0,0,0,1,0,0|2,0,0]=3 10064 B12R1.267 COCCOC1CCCCC1C 34a_100000211207_100011201679 [0,0,0,1,0,0|3,0,0]=4 10065 B12R1.267 COCCOC1CCCCC1C 7a_100000211207_100000233755 [0,0,0,1,0,0|3,0,0]=4 10066 B12R1.267 COCCOC1CCCNC1=O 34a_100000073722_100011201679 [0,0,0,1,0,0|3,0,0]=4 10067 B12R1.267 COCCOC1CCCNC1=O 34a_100000210237_100000687798 [0,0,0,1,0,0|3,0,0]=4 10068 B12R1.267 COCCOC1COCCC1=O 34a_100000210237_100012180262 [0,0,0,1,0,0|3,0,0]=4 10069 B12R1.267 COCCSC1CCCCC1=O 62a_100000204591_100000233755 [0,0,0,1,0,0|2,0,0]=3 10070 B12R1.267 COCCSC1CCCCC1=O 62a_100000233755_100000204591 [0,0,0,1,0,0|2,0,0]=3 10071 B12R1.267 COCCSC1CCCNC1=O 62a_100000233755_100000687798 [0,0,0,1,0,0|3,0,0]=4 10072 B12R1.267 COCCSC1CCCNC1=O 62a_100000687798_100000233755 [0,0,0,1,0,0|3,0,0]=4 10073 B12R1.267 COCCSC1COCCC1=O 62a_100000233755_100012180262 [0,0,0,1,0,0|3,0,0]=4 10074 B12R1.267 COCCSC1COCCC1=O 62a_100012180262_100000233755 [0,0,0,1,0,0|3,0,0]=4 10075 B12R1.267 CSCCNC1CCCCC1C 2230a_100000211402_100000751147 [0,0,0,1,0,0|3,0,0]=4 10076 B12R1.267 CSCCNC1CCCCC1C 269862a_100020590264_100000210921 [0,0,0,1,0,0|3,0,0]=4 10077 B12R1.267 CSCCNC1CCCCC1C 270004a_100020590264_100000210921 [0,0,0,1,0,0|3,0,0]=4 10078 B12R1.267 CSCCNC1CCCCC1C 34a_100000211402_100000212216 [0,0,0,1,0,0|3,0,0]=4 10079 B12R1.267 CSCCNC1CCCNC1=O 2230a_100000747585_100000751147 [0,0,0,1,0,0|3,0,0]=4 10080 B12R1.267 CSCCNC1CCCNC1=O 2230a_100020590264_100000687798 [0,0,0,1,0,0|3,0,0]=4 10081 B12R1.267 CSCCNC1CCCNC1=O 34a_100000747585_100000212216 [0,0,0,1,0,0|3,0,0]=4 10082 B12R1.267 CSCCOC1CCCCC1=O 34a_100000230434_100000754470 [0,0,0,1,0,0|2,0,0]=3 10083 B12R1.267 CSCCOC1CCCCC1=O 34a_100011214950_100000212216 [0,0,0,1,0,0|2,0,0]=3 10084 B12R1.267 CSCCOC1CCCCC1=O 7a_100000230434_100000204591 [0,0,0,1,0,0|2,0,0]=3 10085 B12R1.267 CSCCOC1CCCCC1C 34a_100000211207_100000212216 [0,0,0,1,0,0|3,0,0]=4 10086 B12R1.267 CSCCOC1CCCCC1C 7a_100000211207_100000212216 [0,0,0,1,0,0|3,0,0]=4 10087 B12R1.267 CSCCOC1CCCNC1=O 34a_100000073722_100000212216 [0,0,0,1,0,0|3,0,0]=4 10088 B12R1.267 CSCCOC1CCCNC1=O 34a_100000230434_100000687798 [0,0,0,1,0,0|3,0,0]=4 10089 B12R1.267 CSCCOC1CCCNC1=O 7a_100000230434_100000687798 [0,0,0,1,0,0|3,0,0]=4 10090 B12R1.267 CSCCOC1COCCC1=O 34a_100000230434_100012180262 [0,0,0,1,0,0|3,0,0]=4 10091 B12R1.267 CSCCOC1COCCC1=O 7a_100000230434_100012180262 [0,0,0,1,0,0|3,0,0]=4 10092 B12R1.267 CSCCSC1CCCCC1=O 62a_100000204591_100000751147 [0,0,0,1,0,0|2,0,0]=3 10093 B12R1.267 CSCCSC1CCCCC1=O 62a_100000212216_100000204591 [0,0,0,1,0,0|2,0,0]=3 10094 B12R1.267 CSCCSC1CCCNC1=O 62a_100000212216_100000687798 [0,0,0,1,0,0|3,0,0]=4 10095 B12R1.267 CSCCSC1CCCNC1=O 62a_100000687798_100000751147 [0,0,0,1,0,0|3,0,0]=4 10096 B12R1.267 CSCCSC1COCCC1=O 62a_100000212216_100012180262 [0,0,0,1,0,0|3,0,0]=4 10097 B12R1.267 CSCCSC1COCCC1=O 62a_100012180262_100000751147 [0,0,0,1,0,0|3,0,0]=4 10098 B12R1.267 CSCOCC1CCCCC1=O 34a_100009861125_100011218213 [0,0,0,1,0,0|2,0,0]=3 10099 B12R1.267 C[C@H]1COCCN1CCCC=O 2230a_100009815349_200011292268 [0,0,0,1,0,0|2,0,0]=3 10100 B12R1.267 C[C@H]1COCCN1CCCC=O 269982a_100009815349_200011292268 [0,0,0,1,0,0|2,0,0]=3 10101 B12R1.267 N#CCCSC1CCCCC1=O 62a_100000204591_100011215226 [0,0,0,1,0,0|2,0,1]=4 10102 B12R1.267 N#CCCSC1CCCCC1=O 62a_100011215226_100000204591 [0,0,0,1,0,0|2,0,1]=4 10103 B12R1.267 N#CCOCC1CCCCC1=O 7a_100009861125_100011215382 [0,0,0,1,0,0|2,0,1]=4 10104 B12R1.267 NC1CCOCC1COCC=O 34a_214813039666_200009817547 [0,0,0,1,0,0|3,0,0]=4 10105 B12R1.267 NCCCOC1CCCCC1=O 34a_100000182051_100000754470 [0,0,0,1,0,0|2,0,0]=3 10106 B12R1.267 NCCCOC1CCCNC1=O 34a_100000182051_100000687798 [0,0,0,1,0,0|3,0,0]=4 10107 B12R1.267 NCCCOC1COCCC1=O 34a_100000182051_100012180262 [0,0,0,1,0,0|3,0,0]=4 10108 B12R1.267 NOCCOC1CCCCC1=O 34a_100000700252_100000754470 [0,0,0,1,0,0|3,0,0]=4 10109 B12R1.267 O=C1CCCCC1COCCF 34a_100009861125_100011217306 [0,0,0,1,0,0|2,0,0]=3 10110 B12R1.267 O=C1CCCCC1COCCF 7a_100009861125_100011217306 [0,0,0,1,0,0|2,0,0]=3 10111 B12R1.267 O=C1CCCCC1COCCO 34a_100009861125_100000211926 [0,0,0,1,0,0|2,0,0]=3 10112 B12R1.267 O=C1CCCCC1COCCO 7a_100009861125_100000211926 [0,0,0,1,0,0|2,0,0]=3 10113 B12R1.267 O=C1CCCCC1NCCCF 34a_100015189416_100000754470 [0,0,0,1,0,0|2,0,0]=3 10114 B12R1.267 O=C1CCCCC1OCCCBr 34a_100011217188_100000754470 [0,0,0,1,0,0|2,0,0]=3 10115 B12R1.267 O=C1CCCCC1OCCCCl 34a_100000230001_100000754470 [0,0,0,1,0,0|2,0,0]=3 10116 B12R1.267 O=C1CCCCC1OCCCF 34a_100000759539_100000754470 [0,0,0,1,0,0|2,0,0]=3 10117 B12R1.267 O=C1CCCCC1OCCCF 34a_100011214950_100011934791 [0,0,0,1,0,0|2,0,0]=3 10118 B12R1.267 O=C1CCCCC1OCCCO 34a_100011214950_100000230001 [0,0,0,1,0,0|2,0,0]=3 10119 B12R1.267 O=C1CCCCC1SCCCF 62a_100000204591_100011934791 [0,0,0,1,0,0|2,0,0]=3 10120 B12R1.267 O=C1CCCCC1SCCCF 62a_100011934791_100000204591 [0,0,0,1,0,0|2,0,0]=3 10121 B12R1.267 O=C1CCCCC1SCCCO 62a_100000204591_100011215043 [0,0,0,1,0,0|2,0,0]=3 10122 B12R1.267 O=C1CCCCC1SCCCO 62a_100011215043_100000204591 [0,0,0,1,0,0|2,0,0]=3 10123 B12R1.267 O=C1CCCCN1CCNCF 34a_100160573077_100015361967 [0,0,0,1,0,0|3,0,0]=4 10124 B12R1.267 O=C1CCOCC1NCCCF 34a_100015189416_100012180262 [0,0,0,1,0,0|3,0,0]=4 10125 B12R1.267 O=C1CCOCC1OCCCBr 34a_100011217188_100012180262 [0,0,0,1,0,0|3,0,0]=4 10126 B12R1.267 O=C1CCOCC1OCCCCl 34a_100000230001_100012180262 [0,0,0,1,0,0|3,0,0]=4 10127 B12R1.267 O=C1CCOCC1OCCCF 34a_100000759539_100012180262 [0,0,0,1,0,0|3,0,0]=4 10128 B12R1.267 O=C1CCOCC1SCCCF 62a_100011934791_100012180262 [0,0,0,1,0,0|3,0,0]=4 10129 B12R1.267 O=C1CCOCC1SCCCF 62a_100012180262_100011934791 [0,0,0,1,0,0|3,0,0]=4 10130 B12R1.267 O=C1CCOCC1SCCCO 62a_100011215043_100012180262 [0,0,0,1,0,0|3,0,0]=4 10131 B12R1.267 O=C1CCOCC1SCCCO 62a_100012180262_100011215043 [0,0,0,1,0,0|3,0,0]=4 10132 B12R1.267 O=C1NCCCC1NCCCF 2230a_100000747585_100011934791 [0,0,0,1,0,0|3,0,0]=4 10133 B12R1.267 O=C1NCCCC1NCCCF 2230a_100015189416_100000687798 [0,0,0,1,0,0|3,0,0]=4 10134 B12R1.267 O=C1NCCCC1NCCCF 34a_100000747585_100011934791 [0,0,0,1,0,0|3,0,0]=4 10135 B12R1.267 O=C1NCCCC1NCCCF 34a_100015189416_100000687798 [0,0,0,1,0,0|3,0,0]=4 10136 B12R1.267 O=C1NCCCC1NCCCO 2230a_100000747585_100000230001 [0,0,0,1,0,0|3,0,0]=4 10137 B12R1.267 O=C1NCCCC1NCCCO 34a_100000747585_100000230001 [0,0,0,1,0,0|3,0,0]=4 10138 B12R1.267 O=C1NCCCC1OCCCBr 34a_100011217188_100000687798 [0,0,0,1,0,0|3,0,0]=4 10139 B12R1.267 O=C1NCCCC1OCCCCl 34a_100000230001_100000687798 [0,0,0,1,0,0|3,0,0]=4 10140 B12R1.267 O=C1NCCCC1OCCCF 34a_100000073722_100011934791 [0,0,0,1,0,0|3,0,0]=4 10141 B12R1.267 O=C1NCCCC1OCCCF 34a_100000759539_100000687798 [0,0,0,1,0,0|3,0,0]=4 10142 B12R1.267 O=C1NCCCC1OCCCO 34a_100000073722_100000230001 [0,0,0,1,0,0|3,0,0]=4 10143 B12R1.267 O=C1NCCCC1SCCCF 62a_100000687798_100011934791 [0,0,0,1,0,0|3,0,0]=4 10144 B12R1.267 O=C1NCCCC1SCCCF 62a_100011934791_100000687798 [0,0,0,1,0,0|3,0,0]=4 10145 B12R1.267 O=C1NCCCC1SCCCO 62a_100000687798_100011215043 [0,0,0,1,0,0|3,0,0]=4 10146 B12R1.267 O=C1NCCCC1SCCCO 62a_100011215043_100000687798 [0,0,0,1,0,0|3,0,0]=4 10147 B12R1.267 O=CCNCC1CCCCC1O 34a_100011216029_200009817547 [0,0,0,1,0,0|2,0,0]=3 10148 B12R1.267 O=CCOCC1CCCCC1=O 34a_100009861125_200009817547 [0,0,0,1,0,0|2,0,1]=4 10149 B12R1.267 O=CCOCC1CCCCC1=O 7a_100009861125_200015260668 [0,0,0,1,0,0|2,0,1]=4 10150 B12R1.271 C#CCCCCOCC1CC1C 34a_100000744939_100010269958 [0,0,0,1,0,0|2,0,1]=4 10151 B12R1.271 C#CCCCCOCC1CC1C 7a_100000744939_100010269958 [0,0,0,1,0,0|2,0,1]=4 10152 B12R1.271 C=CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000700193 [0,0,0,1,0,0|3,0,0]=4 10153 B12R1.271 C=CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000700193 [0,0,0,1,0,0|3,0,0]=4 10154 B12R1.271 C=CCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000700193 [0,0,0,1,0,0|3,0,0]=4 10155 B12R1.271 C=CCCCCOCC1CC1C 34a_100000744939_100011215482 [0,0,0,1,0,0|2,0,0]=3 10156 B12R1.271 C=CCCCCOCC1CC1C 7a_100000744939_100011215482 [0,0,0,1,0,0|2,0,0]=3 10157 B12R1.271 CC1CC1COCCCCC#N 7a_100000744939_100000211819 [0,0,0,1,0,0|2,0,1]=4 10158 B12R1.271 CC1CC1COCCCCC=O 7a_100000744939_100000139335 [0,0,0,1,0,0|1,0,0]=2 10159 B12R1.271 CC1CC1COCCCCCF 34a_100000744939_100000729378 [0,0,0,1,0,0|2,0,1]=4 10160 B12R1.271 CC1CC1COCCCCCF 7a_100000744939_100000729378 [0,0,0,1,0,0|2,0,1]=4 10161 B12R1.271 CC1CC1COCCCCCO 34a_100000744939_100000746330 [0,0,0,1,0,0|1,0,2]=4 10162 B12R1.271 CC1CC1COCCCCCO 7a_100000744939_100000746330 [0,0,0,1,0,0|1,0,2]=4 10163 B12R1.271 CCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210681 [0,0,0,1,0,0|2,0,1]=4 10164 B12R1.271 CCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210681 [0,0,0,1,0,0|2,0,1]=4 10165 B12R1.271 CCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210614 [0,0,0,1,0,0|2,0,1]=4 10166 B12R1.271 CCCCCCOCC1CC1C 34a_100000744939_100000210314 [0,0,0,1,0,0|2,0,1]=4 10167 B12R1.271 CCCCCCOCC1CC1C 7a_100000744939_100000210314 [0,0,0,1,0,0|2,0,1]=4 10168 B12R1.271 COCCCCOCC1CC1C 34a_100000744939_100000755781 [0,0,0,1,0,0|3,0,0]=4 10169 B12R1.271 COCCCCOCC1CC1C 7a_100000744939_100000730899 [0,0,0,1,0,0|3,0,0]=4 10170 B12R1.271 O=CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000139337 [0,0,0,1,0,0|2,0,0]=3 10171 B12R1.271 O=CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000139337 [0,0,0,1,0,0|2,0,0]=3 10172 B12R1.272 BrCCCCCCOC1CCC1 34a_100011215345_100000749161 [0,0,0,1,0,0|2,0,1]=4 10173 B12R1.272 BrCCCCCOCC1CCC1 34a_100000746331_100000763275 [0,0,0,1,0,0|2,0,1]=4 10174 B12R1.272 BrCCCCCOCC1CCC1 7a_100000746331_100000763275 [0,0,0,1,0,0|2,0,1]=4 10175 B12R1.272 C#CCCCCCCN1CCC1 269982a_100000754969_100012276617 [0,0,0,1,0,0|2,0,1]=4 10176 B12R1.272 C#CCCCCCNC1CCC1 2230a_100000749019_100012094781 [0,0,0,1,0,0|2,0,1]=4 10177 B12R1.272 C#CCCCCCNC1CCC1 34a_100000749019_100012094781 [0,0,0,1,0,0|2,0,1]=4 10178 B12R1.272 C#CCCCCCOC1CCC1 34a_100000748187_100012094781 [0,0,0,1,0,0|2,0,1]=4 10179 B12R1.272 C#CCCCCCOC1CCC1 34a_100000766912_100000749161 [0,0,0,1,0,0|2,0,1]=4 10180 B12R1.272 C#CCCCCCSC1CCC1 62a_100012094781_100000749161 [0,0,0,1,0,0|2,0,1]=4 10181 B12R1.272 C#CCCCCNCC1CCC1 2230a_100000706060_100000763275 [0,0,0,1,0,0|2,0,1]=4 10182 B12R1.272 C#CCCCCNCC1CCC1 2230a_100000738700_100010269958 [0,0,0,1,0,0|2,0,1]=4 10183 B12R1.272 C#CCCCCNCC1CCC1 34a_100000706060_100000763275 [0,0,0,1,0,0|2,0,1]=4 10184 B12R1.272 C#CCCCCNCC1CCC1 34a_100000738700_100010269958 [0,0,0,1,0,0|2,0,1]=4 10185 B12R1.272 C#CCCCCOCC1CCC1 34a_100000760304_100010269958 [0,0,0,1,0,0|2,0,1]=4 10186 B12R1.272 C#CCCCCOCC1CCC1 34a_100000766709_100000763275 [0,0,0,1,0,0|2,0,1]=4 10187 B12R1.272 C#CCCCCOCC1CCC1 7a_100000766709_100000763275 [0,0,0,1,0,0|2,0,1]=4 10188 B12R1.272 C#CCCCCSCC1CCC1 62a_100000763275_100010269958 [0,0,0,1,0,0|2,0,1]=4 10189 B12R1.272 C#CCCCCSCC1CCC1 62a_100010269958_100000763275 [0,0,0,1,0,0|2,0,1]=4 10190 B12R1.272 C=CCCCCCCN1CCC1 269982a_100000754969_100011215473 [0,0,0,1,0,0|2,0,0]=3 10191 B12R1.272 C=CCCCCCNC1CCC1 2230a_100000749019_100000700193 [0,0,0,1,0,0|2,0,0]=3 10192 B12R1.272 C=CCCCCCNC1CCC1 34a_100000749019_100000700193 [0,0,0,1,0,0|2,0,0]=3 10193 B12R1.272 C=CCCCCCNC1COC1 2230a_100016991112_100000700193 [0,0,0,1,0,0|3,0,0]=4 10194 B12R1.272 C=CCCCCCOC1CCC1 34a_100000748187_100000700193 [0,0,0,1,0,0|2,0,0]=3 10195 B12R1.272 C=CCCCCCOC1CCC1 34a_100011216702_100000749161 [0,0,0,1,0,0|2,0,0]=3 10196 B12R1.272 C=CCCCCCOC1COC1 34a_100011216702_100009818527 [0,0,0,1,0,0|3,0,0]=4 10197 B12R1.272 C=CCCCCCOC1COC1 7a_100011216702_100009818527 [0,0,0,1,0,0|3,0,0]=4 10198 B12R1.272 C=CCCCCCOC1CSC1 7a_100000072292_100000700193 [0,0,0,1,0,0|3,0,0]=4 10199 B12R1.272 C=CCCCCCSC1CCC1 62a_100000700193_100000749161 [0,0,0,1,0,0|2,0,0]=3 10200 B12R1.272 C=CCCCCCSC1COC1 62a_100000700193_100009818527 [0,0,0,1,0,0|3,0,0]=4 10201 B12R1.272 C=CCCCCNCC1CCC1 2230a_100000703577_100000763275 [0,0,0,1,0,0|2,0,0]=3 10202 B12R1.272 C=CCCCCNCC1CCC1 2230a_100000738700_100011215482 [0,0,0,1,0,0|2,0,0]=3 10203 B12R1.272 C=CCCCCNCC1CCC1 269862a_100000703577_100000753134 [0,0,0,1,0,0|2,0,0]=3 10204 B12R1.272 C=CCCCCNCC1CCC1 34a_100000703577_100000763275 [0,0,0,1,0,0|2,0,0]=3 10205 B12R1.272 C=CCCCCNCC1CCC1 34a_100000738700_100011215482 [0,0,0,1,0,0|2,0,0]=3 10206 B12R1.272 C=CCCCCNCC1CCO1 2230a_100000703577_100000103362 [0,0,0,1,0,0|3,0,0]=4 10207 B12R1.272 C=CCCCCNCC1CCO1 34a_100000703577_100000103362 [0,0,0,1,0,0|3,0,0]=4 10208 B12R1.272 C=CCCCCNCC1COC1 2230a_100000703577_100010264016 [0,0,0,1,0,0|3,0,0]=4 10209 B12R1.272 C=CCCCCNCC1COC1 2230a_100015281925_100011215482 [0,0,0,1,0,0|3,0,0]=4 10210 B12R1.272 C=CCCCCNCC1COC1 34a_100000703577_100010264016 [0,0,0,1,0,0|3,0,0]=4 10211 B12R1.272 C=CCCCCNCC1COC1 34a_100015281925_100011215482 [0,0,0,1,0,0|3,0,0]=4 10212 B12R1.272 C=CCCCCNC[C@@H]1CCO1 2230a_100020831831_100011215482 [0,0,0,1,0,0|3,0,0]=4 10213 B12R1.272 C=CCCCCNC[C@@H]1CCO1 34a_100020831831_100011215482 [0,0,0,1,0,0|3,0,0]=4 10214 B12R1.272 C=CCCCCOCC1CCC1 34a_100000760304_100011215482 [0,0,0,1,0,0|2,0,0]=3 10215 B12R1.272 C=CCCCCOCC1CCC1 34a_100000766645_100000763275 [0,0,0,1,0,0|2,0,0]=3 10216 B12R1.272 C=CCCCCOCC1CCC1 7a_100000766645_100000763275 [0,0,0,1,0,0|2,0,0]=3 10217 B12R1.272 C=CCCCCOCC1CCO1 34a_100000039022_100011215482 [0,0,0,1,0,0|3,0,0]=4 10218 B12R1.272 C=CCCCCOCC1CCO1 34a_100000766645_100000103362 [0,0,0,1,0,0|3,0,0]=4 10219 B12R1.272 C=CCCCCOCC1CCO1 7a_100000766645_100000103362 [0,0,0,1,0,0|3,0,0]=4 10220 B12R1.272 C=CCCCCOCC1CNC1 34a_100016987283_100011215482 [0,0,0,1,0,0|3,0,0]=4 10221 B12R1.272 C=CCCCCOCC1COC1 34a_100000060846_100011215482 [0,0,0,1,0,0|3,0,0]=4 10222 B12R1.272 C=CCCCCOCC1COC1 34a_100000766645_100010264016 [0,0,0,1,0,0|3,0,0]=4 10223 B12R1.272 C=CCCCCOCC1COC1 7a_100000766645_100010264016 [0,0,0,1,0,0|3,0,0]=4 10224 B12R1.272 C=CCCCCSCC1CCC1 62a_100000763275_100011215482 [0,0,0,1,0,0|2,0,0]=3 10225 B12R1.272 C=CCCCCSCC1CCC1 62a_100011215482_100000763275 [0,0,0,1,0,0|2,0,0]=3 10226 B12R1.272 C=CCCCCSCC1CCO1 62a_100000103362_100011215482 [0,0,0,1,0,0|3,0,0]=4 10227 B12R1.272 C=CCCCCSCC1CCO1 62a_100011215482_100000103362 [0,0,0,1,0,0|3,0,0]=4 10228 B12R1.272 C=CCCCCSCC1COC1 62a_100010264016_100011215482 [0,0,0,1,0,0|3,0,0]=4 10229 B12R1.272 C=CCCCCSCC1COC1 62a_100011215482_100010264016 [0,0,0,1,0,0|3,0,0]=4 10230 B12R1.272 C=CCCCOCCC1COC1 34a_100009855314_100000757094 [0,0,0,1,0,0|3,0,0]=4 10231 B12R1.272 C=CCOCCOCC1CCC1 34a_100000037705_100000763275 [0,0,0,1,0,0|3,0,0]=4 10232 B12R1.272 C=CCOCCOCC1CCC1 7a_100000037705_100000763275 [0,0,0,1,0,0|3,0,0]=4 10233 B12R1.272 C=COCCCCOC1CCC1 34a_100000031558_100000749161 [0,0,0,1,0,0|3,0,0]=4 10234 B12R1.272 C=COCCCNCC1CCC1 2230a_100000210767_100000763275 [0,0,0,1,0,0|3,0,0]=4 10235 B12R1.272 C=COCCCNCC1CCC1 269862a_100000210767_100000753134 [0,0,0,1,0,0|3,0,0]=4 10236 B12R1.272 C=COCCCNCC1CCC1 34a_100000210767_100000763275 [0,0,0,1,0,0|3,0,0]=4 10237 B12R1.272 CC=CCCCOCC1CCC1 34a_100020645299_100000763275 [0,0,0,1,0,0|2,0,1]=4 10238 B12R1.272 CCCCCCCCN1CCC1 269982a_100000754969_100000210759 [0,0,0,1,0,0|2,0,1]=4 10239 B12R1.272 CCCCCCCNC1CCC1 2230a_100000749019_100000210681 [0,0,0,1,0,0|2,0,1]=4 10240 B12R1.272 CCCCCCCNC1CCC1 270004a_100000229938_100000241760 [0,0,0,1,0,0|2,0,1]=4 10241 B12R1.272 CCCCCCCNC1CCC1 34a_100000749019_100000210614 [0,0,0,1,0,0|2,0,1]=4 10242 B12R1.272 CCCCCCCNC1COC1 2230a_100016991112_100000210681 [0,0,0,1,0,0|3,0,0]=4 10243 B12R1.272 CCCCCCCOC1CCC1 34a_100000210272_100000749161 [0,0,0,1,0,0|2,0,1]=4 10244 B12R1.272 CCCCCCCOC1CCC1 34a_100000748187_100000210614 [0,0,0,1,0,0|2,0,1]=4 10245 B12R1.272 CCCCCCCOC1COC1 34a_100000210272_100009818527 [0,0,0,1,0,0|3,0,0]=4 10246 B12R1.272 CCCCCCCOC1COC1 7a_100000210272_100009818527 [0,0,0,1,0,0|3,0,0]=4 10247 B12R1.272 CCCCCCCOC1CSC1 7a_100000072292_100000210614 [0,0,0,1,0,0|3,0,0]=4 10248 B12R1.272 CCCCCCCSC1CCC1 62a_100000210614_100000749161 [0,0,0,1,0,0|2,0,1]=4 10249 B12R1.272 CCCCCCCSC1COC1 62a_100000210614_100009818527 [0,0,0,1,0,0|3,0,0]=4 10250 B12R1.272 CCCCCCNCC1CCC1 2230a_100000210581_100000763275 [0,0,0,1,0,0|2,0,1]=4 10251 B12R1.272 CCCCCCNCC1CCC1 2230a_100000738700_100000210314 [0,0,0,1,0,0|2,0,1]=4 10252 B12R1.272 CCCCCCNCC1CCC1 269862a_100000210581_100000753134 [0,0,0,1,0,0|2,0,1]=4 10253 B12R1.272 CCCCCCNCC1CCC1 34a_100000738700_100000210314 [0,0,0,1,0,0|2,0,1]=4 10254 B12R1.272 CCCCCCNCC1CCO1 2230a_100000210581_100000103362 [0,0,0,1,0,0|1,0,2]=4 10255 B12R1.272 CCCCCCNCC1COC1 2230a_100000210581_100010264016 [0,0,0,1,0,0|3,0,0]=4 10256 B12R1.272 CCCCCCNCC1COC1 2230a_100015281925_100000210314 [0,0,0,1,0,0|3,0,0]=4 10257 B12R1.272 CCCCCCNCC1COC1 34a_100015281925_100000210314 [0,0,0,1,0,0|3,0,0]=4 10258 B12R1.272 CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210314 [0,0,0,1,0,0|1,0,2]=4 10259 B12R1.272 CCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210314 [0,0,0,1,0,0|1,0,2]=4 10260 B12R1.272 CCCCCCOCC1CCC1 34a_100000210259_100000763275 [0,0,0,1,0,0|2,0,1]=4 10261 B12R1.272 CCCCCCOCC1CCC1 34a_100000760304_100000210314 [0,0,0,1,0,0|2,0,1]=4 10262 B12R1.272 CCCCCCOCC1CCC1 7a_100000210259_100000763275 [0,0,0,1,0,0|2,0,1]=4 10263 B12R1.272 CCCCCCOCC1CCO1 34a_100000039022_100000210314 [0,0,0,1,0,0|1,0,2]=4 10264 B12R1.272 CCCCCCOCC1CCO1 34a_100000210259_100000103362 [0,0,0,1,0,0|1,0,2]=4 10265 B12R1.272 CCCCCCOCC1CCO1 7a_100000210259_100000103362 [0,0,0,1,0,0|1,0,2]=4 10266 B12R1.272 CCCCCCOCC1CNC1 34a_100016987283_100000210314 [0,0,0,1,0,0|3,0,0]=4 10267 B12R1.272 CCCCCCOCC1COC1 34a_100000060846_100000210314 [0,0,0,1,0,0|3,0,0]=4 10268 B12R1.272 CCCCCCOCC1COC1 34a_100000210259_100010264016 [0,0,0,1,0,0|3,0,0]=4 10269 B12R1.272 CCCCCCOCC1COC1 7a_100000210259_100010264016 [0,0,0,1,0,0|3,0,0]=4 10270 B12R1.272 CCCCCCSCC1CCC1 62a_100000210314_100000763275 [0,0,0,1,0,0|2,0,1]=4 10271 B12R1.272 CCCCCCSCC1CCC1 62a_100000763275_100000210757 [0,0,0,1,0,0|2,0,1]=4 10272 B12R1.272 CCCCCCSCC1CCO1 62a_100000103362_100000210757 [0,0,0,1,0,0|1,0,2]=4 10273 B12R1.272 CCCCCCSCC1CCO1 62a_100000210314_100000103362 [0,0,0,1,0,0|1,0,2]=4 10274 B12R1.272 CCCCCCSCC1COC1 62a_100000210314_100010264016 [0,0,0,1,0,0|3,0,0]=4 10275 B12R1.272 CCCCCCSCC1COC1 62a_100010264016_100000210757 [0,0,0,1,0,0|3,0,0]=4 10276 B12R1.272 CCCCCOCCC1COC1 34a_100009855314_100000718602 [0,0,0,1,0,0|3,0,0]=4 10277 B12R1.272 CNCCCCCOC1CCC1 34a_100000722520_100000749161 [0,0,0,1,0,0|3,0,0]=4 10278 B12R1.272 COCCCCCCN1CCC1 269982a_100000754969_100011998445 [0,0,0,1,0,0|3,0,0]=4 10279 B12R1.272 COCCCCCNC1CCC1 270004a_100000747528_100000241760 [0,0,0,1,0,0|3,0,0]=4 10280 B12R1.272 COCCCCCNC1CCC1 34a_100000747528_100000749161 [0,0,0,1,0,0|3,0,0]=4 10281 B12R1.272 COCCCCNCC1CCC1 2230a_100000738700_100000730899 [0,0,0,1,0,0|3,0,0]=4 10282 B12R1.272 COCCCCNCC1CCC1 34a_100000738700_100000755781 [0,0,0,1,0,0|3,0,0]=4 10283 B12R1.272 COCCCCOCC1CCC1 34a_100000740925_100000763275 [0,0,0,1,0,0|3,0,0]=4 10284 B12R1.272 COCCCCOCC1CCC1 34a_100000760304_100000755781 [0,0,0,1,0,0|3,0,0]=4 10285 B12R1.272 COCCCCSCC1CCC1 62a_100000730899_100000763275 [0,0,0,1,0,0|3,0,0]=4 10286 B12R1.272 COCCCCSCC1CCC1 62a_100000763275_100000730899 [0,0,0,1,0,0|3,0,0]=4 10287 B12R1.272 CSCCCCOCC1CCC1 34a_100011217163_100000763275 [0,0,0,1,0,0|3,0,0]=4 10288 B12R1.272 CSCCCCOCC1CCC1 7a_100011217163_100000763275 [0,0,0,1,0,0|3,0,0]=4 10289 B12R1.272 ClCCCCCCOC1CCC1 34a_100000766143_100000749161 [0,0,0,1,0,0|2,0,1]=4 10290 B12R1.272 ClCCCCCOCC1CCC1 34a_100000746330_100000763275 [0,0,0,1,0,0|2,0,1]=4 10291 B12R1.272 ClCCCCCOCC1CCC1 7a_100000746330_100000763275 [0,0,0,1,0,0|2,0,1]=4 10292 B12R1.272 FCCCCCCNC1CCC1 2230a_100000749019_100015922095 [0,0,0,1,0,0|2,0,1]=4 10293 B12R1.272 FCCCCCCNC1CCC1 34a_100000749019_100015922095 [0,0,0,1,0,0|2,0,1]=4 10294 B12R1.272 FCCCCCCOC1CCC1 34a_100000732779_100000749161 [0,0,0,1,0,0|2,0,1]=4 10295 B12R1.272 FCCCCCCOC1CCC1 34a_100000748187_100015922095 [0,0,0,1,0,0|2,0,1]=4 10296 B12R1.272 FCCCCCCSC1CCC1 62a_100015922095_100000749161 [0,0,0,1,0,0|2,0,1]=4 10297 B12R1.272 FCCCCCNCC1CCC1 2230a_100000738700_100000729378 [0,0,0,1,0,0|2,0,1]=4 10298 B12R1.272 FCCCCCNCC1CCC1 34a_100000738700_100000729378 [0,0,0,1,0,0|2,0,1]=4 10299 B12R1.272 FCCCCCOCC1CCC1 34a_100000760304_100000729378 [0,0,0,1,0,0|2,0,1]=4 10300 B12R1.272 FCCCCCSCC1CCC1 62a_100000729378_100000763275 [0,0,0,1,0,0|2,0,1]=4 10301 B12R1.272 FCCCCCSCC1CCC1 62a_100000763275_100000729378 [0,0,0,1,0,0|2,0,1]=4 10302 B12R1.272 ICCCCCOCC1CCC1 34a_200012148887_100000763275 [0,0,0,1,0,0|2,0,1]=4 10303 B12R1.272 ICCCCCOCC1CCC1 7a_200012148887_100000763275 [0,0,0,1,0,0|2,0,1]=4 10304 B12R1.272 N#CCCCCCCN1CCC1 269982a_100000754969_100009813337 [0,0,0,1,0,0|2,0,1]=4 10305 B12R1.272 N#CCCCCCNC1CCC1 2230a_100000749019_100009813376 [0,0,0,1,0,0|2,0,1]=4 10306 B12R1.272 N#CCCCCCNC1CCC1 270004a_100000061152_100000241760 [0,0,0,1,0,0|2,0,1]=4 10307 B12R1.272 N#CCCCCCSC1CCC1 62a_100009813376_100000749161 [0,0,0,1,0,0|2,0,1]=4 10308 B12R1.272 N#CCCCCNCC1CCC1 2230a_100000738700_100000211819 [0,0,0,1,0,0|2,0,1]=4 10309 B12R1.272 N#CCCCCSCC1CCC1 62a_100000763275_100000211819 [0,0,0,1,0,0|2,0,1]=4 10310 B12R1.272 N#CCCCCSCC1CCC1 62a_100011219923_100000763275 [0,0,0,1,0,0|2,0,1]=4 10311 B12R1.272 NCCCCCCOC1CCC1 34a_100000686447_100000749161 [0,0,0,1,0,0|2,0,1]=4 10312 B12R1.272 NCCCCCOCC1CCC1 34a_100000762737_100000763275 [0,0,0,1,0,0|2,0,1]=4 10313 B12R1.272 O=CCCCCCNC1CCC1 2230a_100000749019_100000139337 [0,0,0,1,0,0|1,0,0]=2 10314 B12R1.272 O=CCCCCCNC1COC1 2230a_100016991112_100000139337 [0,0,0,1,0,0|2,0,0]=3 10315 B12R1.272 O=CCCCCCOC1CSC1 7a_100000072292_100000139337 [0,0,0,1,0,0|2,0,0]=3 10316 B12R1.272 O=CCCCCCSC1CCC1 62a_100000139337_100000749161 [0,0,0,1,0,0|1,0,0]=2 10317 B12R1.272 O=CCCCCCSC1COC1 62a_100000139337_100009818527 [0,0,0,1,0,0|2,0,0]=3 10318 B12R1.272 O=CCCCCNCC1CCC1 2230a_100000738700_100000139335 [0,0,0,1,0,0|1,0,0]=2 10319 B12R1.272 O=CCCCCNCC1COC1 2230a_100015281925_100000139335 [0,0,0,1,0,0|2,0,0]=3 10320 B12R1.272 O=CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000139335 [0,0,0,1,0,0|2,0,0]=3 10321 B12R1.272 O=CCCCCSCC1CCC1 62a_100000139335_100000763275 [0,0,0,1,0,0|1,0,0]=2 10322 B12R1.272 O=CCCCCSCC1CCC1 62a_100000763275_100000139335 [0,0,0,1,0,0|1,0,0]=2 10323 B12R1.272 O=CCCCCSCC1CCO1 62a_100000103362_100000139335 [0,0,0,1,0,0|2,0,0]=3 10324 B12R1.272 O=CCCCCSCC1CCO1 62a_100000139335_100000103362 [0,0,0,1,0,0|2,0,0]=3 10325 B12R1.272 O=CCCCCSCC1COC1 62a_100000139335_100010264016 [0,0,0,1,0,0|2,0,0]=3 10326 B12R1.272 O=CCCCCSCC1COC1 62a_100010264016_100000139335 [0,0,0,1,0,0|2,0,0]=3 10327 B12R1.272 OCCCCCCCN1CCC1 269982a_100000754969_100000760002 [0,0,0,1,0,0|1,0,2]=4 10328 B12R1.272 OCCCCCCNC1CCC1 2230a_100000749019_100000766143 [0,0,0,1,0,0|1,0,2]=4 10329 B12R1.272 OCCCCCCNC1CCC1 270004a_100000686447_100000241760 [0,0,0,1,0,0|1,0,2]=4 10330 B12R1.272 OCCCCCCNC1CCC1 34a_100000686447_100000749161 [0,0,0,1,0,0|1,0,2]=4 10331 B12R1.272 OCCCCCCNC1CCC1 34a_100000749019_100000766143 [0,0,0,1,0,0|1,0,2]=4 10332 B12R1.272 OCCCCCCOC1CCC1 34a_100000748187_100000766143 [0,0,0,1,0,0|1,0,2]=4 10333 B12R1.272 OCCCCCCSC1CCC1 62a_100000766143_100000749161 [0,0,0,1,0,0|1,0,2]=4 10334 B12R1.272 OCCCCCNCC1CCC1 2230a_100000738700_100000746330 [0,0,0,1,0,0|1,0,2]=4 10335 B12R1.272 OCCCCCNCC1CCC1 2230a_100000762737_100000763275 [0,0,0,1,0,0|1,0,2]=4 10336 B12R1.272 OCCCCCNCC1CCC1 269862a_100000762737_100000753134 [0,0,0,1,0,0|1,0,2]=4 10337 B12R1.272 OCCCCCNCC1CCC1 34a_100000738700_100000746330 [0,0,0,1,0,0|1,0,2]=4 10338 B12R1.272 OCCCCCNCC1CCC1 34a_100000762737_100000763275 [0,0,0,1,0,0|1,0,2]=4 10339 B12R1.272 OCCCCCOCC1CCC1 34a_100000760304_100000746330 [0,0,0,1,0,0|1,0,2]=4 10340 B12R1.272 OCCCCCSCC1CCC1 62a_100000746330_100000763275 [0,0,0,1,0,0|1,0,2]=4 10341 B12R1.272 OCCCCCSCC1CCC1 62a_100000763275_100000746330 [0,0,0,1,0,0|1,0,2]=4 10342 B12R1.320 C=CCCN1CCC[C@H]1COC 2230a_100020646714_100000754431 [0,0,0,1,0,0|3,0,0]=4 10343 B12R1.320 C=CCCN1CCC[C@H]1COC 269982a_100020646714_100000754431 [0,0,0,1,0,0|3,0,0]=4 10344 B12R1.320 C=CCCN1CCC[C@H]1COC 34a_100020646714_100000754431 [0,0,0,1,0,0|3,0,0]=4 10345 B12R1.320 C=CCNC1CCCC1CCC 270004a_100020586998_100000723119 [0,0,0,1,0,0|2,0,0]=3 10346 B12R1.320 CCCC1CCCC1NCCF 269862a_100000724931_100000723119 [0,0,0,1,0,0|2,0,1]=4 10347 B12R1.320 CCCC1CCCC1NCCO 269862a_100000210304_100000723119 [0,0,0,1,0,0|1,0,2]=4 10348 B12R1.320 CCCC1CCCC1NCCO 270004a_100000210304_100000723119 [0,0,0,1,0,0|1,0,2]=4 10349 B12R1.320 CCCCC1C=CCN1CC=O 2230a_100015184376_200015260668 [0,0,0,1,0,0|1,0,2]=4 10350 B12R1.320 CCCCC1C=CCN1CC=O 269982a_100015184376_200015260668 [0,0,0,1,0,0|1,0,2]=4 10351 B12R1.320 CCCCC1C=CCN1CC=O 34a_100015184376_200009817547 [0,0,0,1,0,0|1,0,2]=4 10352 B12R1.320 CCCCC1CCCC1NCC 269862a_100015525214_100000750825 [0,0,0,1,0,0|2,0,1]=4 10353 B12R1.320 CCCCC1CCCC1NCC 270004a_100015525214_100000750825 [0,0,0,1,0,0|2,0,1]=4 10354 B12R1.320 CCCCN1CCC[C@H]1COC 2230a_100020646714_100000210211 [0,0,0,1,0,0|3,0,0]=4 10355 B12R1.320 CCCCN1CCC[C@H]1COC 269982a_100020646714_100000210211 [0,0,0,1,0,0|3,0,0]=4 10356 B12R1.320 CCCCN1CCC[C@H]1COC 34a_100020646714_100000210210 [0,0,0,1,0,0|3,0,0]=4 10357 B12R1.320 CCCNC1CCCC1CCC 269862a_100020643023_100000723119 [0,0,0,1,0,0|2,0,1]=4 10358 B12R1.320 CCCNC1CCCC1CCC 270004a_100020643023_100000723119 [0,0,0,1,0,0|2,0,1]=4 10359 B12R1.320 CCNC1CCCC1CCC#N 270004a_100015525214_100000073560 [0,0,0,1,0,0|2,0,1]=4 10360 B12R1.329 C#CCCN1CCCCCCC1 2230a_100000211400_100000688953 [0,0,0,1,0,0|2,0,1]=4 10361 B12R1.329 C#CCCN1CCCCCCC1 269982a_100000211400_100000730999 [0,0,0,1,0,0|2,0,1]=4 10362 B12R1.329 C#CCCN1CCCCCCC1 34a_100000211400_100000688953 [0,0,0,1,0,0|2,0,1]=4 10363 B12R1.329 C#CCNC1CCCCCCC1 2230a_100000211152_100000038162 [0,0,0,1,0,0|2,0,1]=4 10364 B12R1.329 C#CCNC1CCCCCCC1 34a_100000211152_100000184674 [0,0,0,1,0,0|2,0,1]=4 10365 B12R1.329 C#CCOC1CCCCCCC1 34a_100000210054_100000184674 [0,0,0,1,0,0|2,0,1]=4 10366 B12R1.329 C#CCOC1CCCCCCC1 7a_100000210054_100000038162 [0,0,0,1,0,0|2,0,1]=4 10367 B12R1.329 C/C=C/CN1CCCCCCC1 269982a_100000211400_100102629194 [0,0,0,1,0,0|2,0,1]=4 10368 B12R1.329 C/C=C/CN1CCCCCCC1 34a_100000211400_100102629194 [0,0,0,1,0,0|2,0,1]=4 10369 B12R1.329 C=CCCN1CCCCCCC1 2230a_100000211400_100000754431 [0,0,0,1,0,0|2,0,0]=3 10370 B12R1.329 C=CCCN1CCCCCCC1 269982a_100000211400_100000754431 [0,0,0,1,0,0|2,0,0]=3 10371 B12R1.329 C=CCCN1CCCCCCC1 34a_100000211400_100000754431 [0,0,0,1,0,0|2,0,0]=3 10372 B12R1.329 C=CCNC1CCCCCCC1 2230a_100000211152_100000210623 [0,0,0,1,0,0|2,0,0]=3 10373 B12R1.329 C=CCNC1CCCCCCC1 270004a_100020586998_100000210524 [0,0,0,1,0,0|2,0,0]=3 10374 B12R1.329 C=CCNC1CCCCCCC1 34a_100000211152_100015514636 [0,0,0,1,0,0|2,0,0]=3 10375 B12R1.329 C=CCOC1CCCCCCC1 34a_100000210054_100015514636 [0,0,0,1,0,0|2,0,0]=3 10376 B12R1.329 C=CCOC1CCCCCCC1 7a_100000210054_100015514636 [0,0,0,1,0,0|2,0,0]=3 10377 B12R1.329 CC=CCN1CCCCCCC1 2230a_100000211400_100000070051 [0,0,0,1,0,0|2,0,1]=4 10378 B12R1.329 CC=CCN1CCCCCCC1 34a_100000211400_100000070051 [0,0,0,1,0,0|2,0,1]=4 10379 B12R1.329 CCCCN1CCCCCCC1 2230a_100000211400_100000210211 [0,0,0,1,0,0|2,0,1]=4 10380 B12R1.329 CCCCN1CCCCCCC1 269982a_100000211400_100000210211 [0,0,0,1,0,0|2,0,1]=4 10381 B12R1.329 CCCCN1CCCCCCC1 34a_100000211400_100000210210 [0,0,0,1,0,0|2,0,1]=4 10382 B12R1.329 CCCNC1CCCCCCC1 2230a_100000211152_100000210303 [0,0,0,1,0,0|2,0,1]=4 10383 B12R1.329 CCCNC1CCCCCCC1 270004a_100020643023_100000210524 [0,0,0,1,0,0|2,0,1]=4 10384 B12R1.329 CCCNC1CCCCCCC1 34a_100000211152_100000210303 [0,0,0,1,0,0|2,0,1]=4 10385 B12R1.329 CCCOC1C=CCCCCC1 34a_100000688657_100000210303 [0,0,0,1,0,0|2,0,0]=3 10386 B12R1.329 CCCOC1CCCCCCC1 34a_100000210054_100000210303 [0,0,0,1,0,0|2,0,1]=4 10387 B12R1.329 CCCOC1CCCCCCC1 7a_100000210054_100000210303 [0,0,0,1,0,0|2,0,1]=4 10388 B12R1.329 CCOCC1CCCCCCC1 34a_100011216312_100000210202 [0,0,0,1,0,0|2,0,1]=4 10389 B12R1.329 CCOCC1CCCCCCC1 7a_100011216312_100000210202 [0,0,0,1,0,0|2,0,1]=4 10390 B12R1.329 CNCCC1CCCCCCC1 2230a_100011532352_200000210301 [0,0,0,1,0,0|2,0,0]=3 10391 B12R1.329 CNCCC1CCCCCCC1 34a_100011532352_200000210301 [0,0,0,1,0,0|2,0,0]=3 10392 B12R1.329 COCCN1CCCCCCC1 2230a_100000211400_100011201679 [0,0,0,1,0,0|3,0,0]=4 10393 B12R1.329 COCCN1CCCCCCC1 269982a_100000211400_100000233755 [0,0,0,1,0,0|3,0,0]=4 10394 B12R1.329 COCCN1CCCCCCC1 34a_100000211400_100011201679 [0,0,0,1,0,0|3,0,0]=4 10395 B12R1.329 COCNC1CCCCCCC1 2230a_100000211152_100000766300 [0,0,0,1,0,0|3,0,0]=4 10396 B12R1.329 CSCCN1CCCCCCC1 2230a_100000211400_100000751147 [0,0,0,1,0,0|3,0,0]=4 10397 B12R1.329 CSCCN1CCCCCCC1 269982a_100000211400_100000212216 [0,0,0,1,0,0|3,0,0]=4 10398 B12R1.329 CSCCN1CCCCCCC1 34a_100000211400_100000212216 [0,0,0,1,0,0|3,0,0]=4 10399 B12R1.329 CSCNC1CCCCCCC1 2230a_100000211152_100011218213 [0,0,0,1,0,0|3,0,0]=4 10400 B12R1.329 CSCNC1CCCCCCC1 34a_100000211152_100011218213 [0,0,0,1,0,0|3,0,0]=4 10401 B12R1.329 CSCOC1C=CCCCCC1 34a_100000688657_100011218213 [0,0,0,1,0,0|3,0,0]=4 10402 B12R1.329 CSCOC1CCCCCCC1 34a_100000210054_100011218213 [0,0,0,1,0,0|3,0,0]=4 10403 B12R1.329 FCCCN1CCCCCCC1 2230a_100000211400_100011934791 [0,0,0,1,0,0|2,0,1]=4 10404 B12R1.329 FCCCN1CCCCCCC1 269982a_100000211400_100011934791 [0,0,0,1,0,0|2,0,1]=4 10405 B12R1.329 FCCCN1CCCCCCC1 34a_100000211400_100011934791 [0,0,0,1,0,0|2,0,1]=4 10406 B12R1.329 FCCNC1CCCCCCC1 2230a_100000211152_100011217306 [0,0,0,1,0,0|2,0,1]=4 10407 B12R1.329 FCCNC1CCCCCCC1 34a_100000211152_100011217306 [0,0,0,1,0,0|2,0,1]=4 10408 B12R1.329 FCCOC1C=CCCCCC1 34a_100000688657_100011217306 [0,0,0,1,0,0|3,0,0]=4 10409 B12R1.329 FCCOC1CCCCCCC1 34a_100000210054_100011217306 [0,0,0,1,0,0|2,0,1]=4 10410 B12R1.329 FCCOC1CCCCCCC1 7a_100000210054_100011217306 [0,0,0,1,0,0|2,0,1]=4 10411 B12R1.329 FCOCC1CCCCCCC1 34a_100011216312_100015361967 [0,0,0,1,0,0|2,0,1]=4 10412 B12R1.329 FCOCC1CCCCCCC1 7a_100011216312_100015361967 [0,0,0,1,0,0|2,0,1]=4 10413 B12R1.329 N#CCCN1CCCCCCC1 2230a_100000211400_100011215226 [0,0,0,1,0,0|2,0,1]=4 10414 B12R1.329 N#CCCN1CCCCCCC1 269982a_100000211400_100011215226 [0,0,0,1,0,0|2,0,1]=4 10415 B12R1.329 N#CCNC1CCCCCCC1 2230a_100000211152_100011215382 [0,0,0,1,0,0|2,0,1]=4 10416 B12R1.329 N#CCOC1CCCCCCC1 7a_100000210054_100011215382 [0,0,0,1,0,0|2,0,1]=4 10417 B12R1.329 O=CCNC1CCCCCCC1 2230a_100000211152_200015260668 [0,0,0,1,0,0|1,0,0]=2 10418 B12R1.329 O=CCNC1CCCCCCC1 34a_100000211152_200009817547 [0,0,0,1,0,0|1,0,0]=2 10419 B12R1.329 O=CCOC1C=CCCCCC1 34a_100000688657_200009817547 [0,0,0,1,0,0|1,0,2]=4 10420 B12R1.329 O=CCOC1CC/C=C\CCC1 34a_100016989180_200009817547 [0,0,0,1,0,0|1,0,2]=4 10421 B12R1.329 O=CCOC1CCCCCCC1 34a_100000210054_200009817547 [0,0,0,1,0,0|1,0,0]=2 10422 B12R1.329 O=CCOC1CCCCCCC1 7a_100000210054_200015260668 [0,0,0,1,0,0|1,0,0]=2 10423 B12R1.329 O=CCSC1CC/C=C\CCC1 62a_100021000466_200015260668 [0,0,0,1,0,0|1,0,2]=4 10424 B12R1.329 O=CCSC1CC/C=C\CCC1 62a_200015260668_100021000466 [0,0,0,1,0,0|1,0,2]=4 10425 B12R1.329 OCCCN1CCCCCCC1 2230a_100000211400_100000230001 [0,0,0,1,0,0|1,0,2]=4 10426 B12R1.329 OCCCN1CCCCCCC1 269982a_100000211400_100011215043 [0,0,0,1,0,0|1,0,2]=4 10427 B12R1.329 OCCCN1CCCCCCC1 34a_100000211400_100000230001 [0,0,0,1,0,0|1,0,2]=4 10428 B12R1.329 OCCNC1CCCCCCC1 2230a_100000211152_100000211926 [0,0,0,1,0,0|1,0,2]=4 10429 B12R1.329 OCCNC1CCCCCCC1 270004a_100000210304_100000210524 [0,0,0,1,0,0|1,0,2]=4 10430 B12R1.329 OCCNC1CCCCCCC1 34a_100000211152_100000211926 [0,0,0,1,0,0|1,0,2]=4 10431 B12R1.329 OCCOC1C=CCCCCC1 34a_100000688657_100000211926 [0,0,0,1,0,0|3,0,0]=4 10432 B12R1.329 OCCOC1CCCCCCC1 34a_100000210054_100000211926 [0,0,0,1,0,0|1,0,2]=4 10433 B12R1.329 OCCOC1CCCCCCC1 7a_100000210054_100000211926 [0,0,0,1,0,0|1,0,2]=4 10434 B12R1.329 [13CH3]NCCC1CCCCCCC1 2230a_100011532352_200025704644 [0,0,0,1,0,0|2,0,0]=3 10435 B12R1.329 [13CH3]NCCC1CCCCCCC1 34a_100011532352_200025704644 [0,0,0,1,0,0|2,0,0]=3 10436 B12R1.372 C#CCCCCN1CCC[C@@H]1C 2230a_100020605311_100010269958 [0,0,0,1,0,0|2,0,1]=4 10437 B12R1.372 C#CCCCCN1CCC[C@@H]1C 269982a_100020605311_100010269958 [0,0,0,1,0,0|2,0,1]=4 10438 B12R1.372 C#CCCCCN1CCC[C@H]1C 2230a_100015189458_100010269958 [0,0,0,1,0,0|2,0,1]=4 10439 B12R1.372 C#CCCCCN1CCC[C@H]1C 269982a_100015189458_100010269958 [0,0,0,1,0,0|2,0,1]=4 10440 B12R1.372 C#CCCCCN1CCC[C@H]1C 34a_100015189458_100010269958 [0,0,0,1,0,0|2,0,1]=4 10441 B12R1.372 C#CCCCNC1CCCC1=O 34a_100000718082_100000709159 [0,0,0,1,0,0|1,0,2]=4 10442 B12R1.372 C#CCCCOC1CCCC1=O 34a_100000215630_100000709159 [0,0,0,1,0,0|1,0,2]=4 10443 B12R1.372 C#CCCCOC1CCCC1=O 34a_200000719330_100000695029 [0,0,0,1,0,0|1,0,2]=4 10444 B12R1.372 C#CCCCOC1CCCC1=O 7a_100000215630_100000211823 [0,0,0,1,0,0|1,0,2]=4 10445 B12R1.372 C#CCCCOC1CCCC1C 34a_100011216460_100000695029 [0,0,0,1,0,0|2,0,1]=4 10446 B12R1.372 C#CCCCOC1CCCC1C 7a_100011216460_100011215417 [0,0,0,1,0,0|2,0,1]=4 10447 B12R1.372 C#CCCCSC1CCCC1=O 62a_100000211823_100011215417 [0,0,0,1,0,0|1,0,2]=4 10448 B12R1.372 C#CCCCSC1CCCC1=O 62a_100011215417_100000211823 [0,0,0,1,0,0|1,0,2]=4 10449 B12R1.372 C/C=C/CCOC1CCCC1=O 34a_100016278192_100000709159 [0,0,0,1,0,0|1,0,2]=4 10450 B12R1.372 C=CCCCCN1CCC[C@@H]1C 2230a_100020605311_100011215482 [0,0,0,1,0,0|2,0,0]=3 10451 B12R1.372 C=CCCCCN1CCC[C@@H]1C 269982a_100020605311_100011215482 [0,0,0,1,0,0|2,0,0]=3 10452 B12R1.372 C=CCCCCN1CCC[C@H]1C 2230a_100015189458_100011215482 [0,0,0,1,0,0|2,0,0]=3 10453 B12R1.372 C=CCCCCN1CCC[C@H]1C 269982a_100015189458_100011215482 [0,0,0,1,0,0|2,0,0]=3 10454 B12R1.372 C=CCCCCN1CCC[C@H]1C 34a_100015189458_100011215482 [0,0,0,1,0,0|2,0,0]=3 10455 B12R1.372 C=CCCCCN1CCSC1C 2230a_200011216479_100011215482 [0,0,0,1,0,0|3,0,0]=4 10456 B12R1.372 C=CCCCCN1CCSC1C 269982a_200011216479_100011215482 [0,0,0,1,0,0|3,0,0]=4 10457 B12R1.372 C=CCCCCN1CCSC1C 34a_200011216479_100011215482 [0,0,0,1,0,0|3,0,0]=4 10458 B12R1.372 C=CCCCNC1CCCC1=O 2230a_100000700776_100000211823 [0,0,0,1,0,0|1,0,2]=4 10459 B12R1.372 C=CCCCNC1CCCC1=O 34a_100000700776_100000709159 [0,0,0,1,0,0|1,0,2]=4 10460 B12R1.372 C=CCCCNC1CCCC1C 269862a_100000700776_100000752053 [0,0,0,1,0,0|2,0,0]=3 10461 B12R1.372 C=CCCCNC1CCOC1C 270004a_100000700776_100000691750 [0,0,0,1,0,0|3,0,0]=4 10462 B12R1.372 C=CCCCOC1CCCC1=O 34a_100000758997_100000709159 [0,0,0,1,0,0|1,0,2]=4 10463 B12R1.372 C=CCCCOC1CCCC1=O 34a_200000719330_100000757094 [0,0,0,1,0,0|1,0,2]=4 10464 B12R1.372 C=CCCCOC1CCCC1=O 7a_100000758997_100000211823 [0,0,0,1,0,0|1,0,2]=4 10465 B12R1.372 C=CCCCOC1CCCC1C 34a_100011216460_100000757094 [0,0,0,1,0,0|2,0,0]=3 10466 B12R1.372 C=CCCCOC1CCCC1C 7a_100011216460_100000757094 [0,0,0,1,0,0|2,0,0]=3 10467 B12R1.372 C=CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000757094 [0,0,0,1,0,0|3,0,0]=4 10468 B12R1.372 C=CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000757094 [0,0,0,1,0,0|3,0,0]=4 10469 B12R1.372 C=CCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000757094 [0,0,0,1,0,0|3,0,0]=4 10470 B12R1.372 C=CCCCSC1CCCC1=O 62a_100000211823_100000757094 [0,0,0,1,0,0|1,0,2]=4 10471 B12R1.372 C=CCCCSC1CCCC1=O 62a_100011713584_100000211823 [0,0,0,1,0,0|1,0,2]=4 10472 B12R1.372 C=CCCCS[C@@H]1CCC[C@H]1O 62a_100011713584_200016002552 [0,0,0,1,0,0|3,0,0]=4 10473 B12R1.372 C=CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000757094 [0,0,0,1,0,0|3,0,0]=4 10474 B12R1.372 C=CCCOCC1CCCN1C 34a_100000743107_100000754431 [0,0,0,1,0,0|3,0,0]=4 10475 B12R1.372 C=CCNCCC1CCCN1C 2230a_100020586998_100000005710 [0,0,0,1,0,0|3,0,0]=4 10476 B12R1.372 C=CCOCCC1CCCN1C 34a_100011215177_100015514636 [0,0,0,1,0,0|3,0,0]=4 10477 B12R1.372 C=CCOCCC1CCCN1C 34a_200000210373_100000005710 [0,0,0,1,0,0|3,0,0]=4 10478 B12R1.372 C=CCOCCC1CCCN1C 7a_100011215177_100015514636 [0,0,0,1,0,0|3,0,0]=4 10479 B12R1.372 C=CCSCCC1CCCN1C 62a_100000005710_100000210623 [0,0,0,1,0,0|3,0,0]=4 10480 B12R1.372 C=CCSCCC1CCCN1C 62a_100000210623_100000005710 [0,0,0,1,0,0|3,0,0]=4 10481 B12R1.372 C=COCCOC1CCCC1C 34a_100011216460_100000039644 [0,0,0,1,0,0|3,0,0]=4 10482 B12R1.372 C=COCCOC1CCCC1C 7a_100011216460_100000039644 [0,0,0,1,0,0|3,0,0]=4 10483 B12R1.372 CC#CCCOC1CCCC1=O 34a_100000750427_100000709159 [0,0,0,1,0,0|1,0,2]=4 10484 B12R1.372 CC/C=C\COC1CCCC1=O 34a_100016268518_100000709159 [0,0,0,1,0,0|1,0,2]=4 10485 B12R1.372 CC/C=C\COC1CCCC1=O 34a_200000719330_100103147603 [0,0,0,1,0,0|1,0,2]=4 10486 B12R1.372 CC/C=C\CSC1CCCC1=O 62a_100000211823_100103147603 [0,0,0,1,0,0|1,0,2]=4 10487 B12R1.372 CC/C=C\CSC1CCCC1=O 62a_100103147603_100000211823 [0,0,0,1,0,0|1,0,2]=4 10488 B12R1.372 CC1CCCC1NCCCCO 269862a_100000750430_100000752053 [0,0,0,1,0,0|1,0,2]=4 10489 B12R1.372 CC1CCCC1OCCCC#N 7a_100011216460_100000687738 [0,0,0,1,0,0|2,0,1]=4 10490 B12R1.372 CC1CCCC1OCCCC=O 7a_100011216460_200011292268 [0,0,0,1,0,0|1,0,0]=2 10491 B12R1.372 CC1CCCC1OCCCCF 34a_100011216460_100000729493 [0,0,0,1,0,0|2,0,1]=4 10492 B12R1.372 CC1CCCC1OCCCCF 7a_100011216460_100000729493 [0,0,0,1,0,0|2,0,1]=4 10493 B12R1.372 CC1CCCC1OCCCCO 34a_100011216460_100011216708 [0,0,0,1,0,0|1,0,2]=4 10494 B12R1.372 CC1CCCC1OCCCCO 7a_100011216460_100000210776 [0,0,0,1,0,0|1,0,2]=4 10495 B12R1.372 CC1SCCN1CCCCC=O 2230a_200011216479_100000139335 [0,0,0,1,0,0|2,0,0]=3 10496 B12R1.372 CC1SCCN1CCCCC=O 269982a_200011216479_100000139335 [0,0,0,1,0,0|2,0,0]=3 10497 B12R1.372 CCC#CCOC1CCCC1=O 34a_100000032950_100000709159 [0,0,0,1,0,0|1,0,2]=4 10498 B12R1.372 CCC#CCOC1CCCC1=O 34a_200000719330_100009813939 [0,0,0,1,0,0|1,0,2]=4 10499 B12R1.372 CCC#CCSC1CCCC1=O 62a_100000211823_100009813939 [0,0,0,1,0,0|1,0,2]=4 10500 B12R1.372 CCC#CCSC1CCCC1=O 62a_100009813939_100000211823 [0,0,0,1,0,0|1,0,2]=4 10501 B12R1.372 CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210314 [0,0,0,1,0,0|2,0,1]=4 10502 B12R1.372 CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210757 [0,0,0,1,0,0|2,0,1]=4 10503 B12R1.372 CCCCCCN1CCC[C@H]1C 2230a_100015189458_100000210314 [0,0,0,1,0,0|2,0,1]=4 10504 B12R1.372 CCCCCCN1CCC[C@H]1C 269982a_100015189458_100000210757 [0,0,0,1,0,0|2,0,1]=4 10505 B12R1.372 CCCCCCN1CCC[C@H]1C 34a_100015189458_100000210314 [0,0,0,1,0,0|2,0,1]=4 10506 B12R1.372 CCCCCNC1CCCC1=O 2230a_100000209983_100000211823 [0,0,0,1,0,0|1,0,0]=2 10507 B12R1.372 CCCCCNC1CCCC1C 269862a_100000209983_100000752053 [0,0,0,1,0,0|2,0,1]=4 10508 B12R1.372 CCCCCNC1CCNC1=O 2230a_100016995588_100000210326 [0,0,0,1,0,0|2,0,0]=3 10509 B12R1.372 CCCCCNC1CCNC1=O 34a_100016995588_100000718602 [0,0,0,1,0,0|2,0,0]=3 10510 B12R1.372 CCCCCNC1CCOC1=O 2230a_100000209983_100000211211 [0,0,0,1,0,0|2,0,0]=3 10511 B12R1.372 CCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210326 [0,0,0,1,0,0|3,0,0]=4 10512 B12R1.372 CCCCCN[C@@H]1CONC1=O 34a_100000765999_100000718602 [0,0,0,1,0,0|3,0,0]=4 10513 B12R1.372 CCCCCOC1CCCC1=O 34a_100000210253_100000709159 [0,0,0,1,0,0|1,0,0]=2 10514 B12R1.372 CCCCCOC1CCCC1=O 34a_200000719330_100000718602 [0,0,0,1,0,0|1,0,0]=2 10515 B12R1.372 CCCCCOC1CCCC1=O 7a_100000210253_100000211823 [0,0,0,1,0,0|1,0,0]=2 10516 B12R1.372 CCCCCOC1CCCC1C 34a_100011216460_100000718602 [0,0,0,1,0,0|2,0,1]=4 10517 B12R1.372 CCCCCOC1CCCC1C 7a_100011216460_100000210326 [0,0,0,1,0,0|2,0,1]=4 10518 B12R1.372 CCCCCOC1CCOC1=O 34a_100000210253_100000211211 [0,0,0,1,0,0|2,0,0]=3 10519 B12R1.372 CCCCCOC1CCOC1=O 7a_100000210253_100000211211 [0,0,0,1,0,0|2,0,0]=3 10520 B12R1.372 CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000718602 [0,0,0,1,0,0|2,0,1]=4 10521 B12R1.372 CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000718602 [0,0,0,1,0,0|2,0,1]=4 10522 B12R1.372 CCCCCO[C@H]1CCNC1=O 34a_100000688343_100000718602 [0,0,0,1,0,0|2,0,0]=3 10523 B12R1.372 CCCCCSC1CCCC1=O 62a_100000210326_100000211823 [0,0,0,1,0,0|1,0,0]=2 10524 B12R1.372 CCCCCSC1CCCC1=O 62a_100000211823_100000210326 [0,0,0,1,0,0|1,0,0]=2 10525 B12R1.372 CCCCCSC1CCOC1=O 62a_100000210326_100000211211 [0,0,0,1,0,0|2,0,0]=3 10526 B12R1.372 CCCCCSC1CCOC1=O 62a_100000211211_100000210326 [0,0,0,1,0,0|2,0,0]=3 10527 B12R1.372 CCCCCS[C@@H]1CCC[C@H]1O 62a_100000210326_200016002552 [0,0,0,1,0,0|1,0,2]=4 10528 B12R1.372 CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210326 [0,0,0,1,0,0|1,0,2]=4 10529 B12R1.372 CCCCOCC1=CCCC1=O 34a_100000087531_100000210210 [0,0,0,1,0,0|1,0,2]=4 10530 B12R1.372 CCCCOCC1CCCN1C 34a_100000743107_100000210210 [0,0,0,1,0,0|3,0,0]=4 10531 B12R1.372 CCCCOCC1CCNC1=O 34a_100000133458_100000210210 [0,0,0,1,0,0|2,0,0]=3 10532 B12R1.372 CCCCSCN1CCCC1=O 62a_100000026320_100000210210 [0,0,0,1,0,0|2,0,0]=3 10533 B12R1.372 CCCCSCN1CCCC1=O 62a_100000210211_100000026320 [0,0,0,1,0,0|2,0,0]=3 10534 B12R1.372 CCCNCCN1CCCC1=O 2230a_100011200922_100000210303 [0,0,0,1,0,0|2,0,0]=3 10535 B12R1.372 CCCNCCN1CCNC1=O 2230a_100011207550_100000210303 [0,0,0,1,0,0|3,0,0]=4 10536 B12R1.372 CCCOCCC1CCCN1C 34a_100000210258_100000005710 [0,0,0,1,0,0|3,0,0]=4 10537 B12R1.372 CCCOCCC1CCCN1C 34a_100011215177_100000210303 [0,0,0,1,0,0|3,0,0]=4 10538 B12R1.372 CCCOCCC1CCCN1C 7a_100011215177_100000210303 [0,0,0,1,0,0|3,0,0]=4 10539 B12R1.372 CCCOCCN1CCCC1=O 34a_100000210258_100000739059 [0,0,0,1,0,0|2,0,0]=3 10540 B12R1.372 CCCOCCN1CCCC1=O 34a_100000211209_100000210303 [0,0,0,1,0,0|2,0,0]=3 10541 B12R1.372 CCCOCCN1CCCC1=O 7a_100000211209_100000210303 [0,0,0,1,0,0|2,0,0]=3 10542 B12R1.372 CCCOCCN1CCNC1=O 34a_100000216532_100000210303 [0,0,0,1,0,0|3,0,0]=4 10543 B12R1.372 CCCSCCC1CCCN1C 62a_100000005710_100000210303 [0,0,0,1,0,0|3,0,0]=4 10544 B12R1.372 CCCSCCC1CCCN1C 62a_100000210303_100000005710 [0,0,0,1,0,0|3,0,0]=4 10545 B12R1.372 CCCSCCN1CCCC1=O 62a_100000210303_100000739059 [0,0,0,1,0,0|2,0,0]=3 10546 B12R1.372 CCCSCCN1CCCC1=O 62a_100000739059_100000210303 [0,0,0,1,0,0|2,0,0]=3 10547 B12R1.372 CCCSCCN1CCNC1=O 62a_100000090651_100000210303 [0,0,0,1,0,0|3,0,0]=4 10548 B12R1.372 CCCSCCN1CCNC1=O 62a_100000210303_100000090651 [0,0,0,1,0,0|3,0,0]=4 10549 B12R1.372 CCNCCCN1CCCC1=O 2230a_100000210347_100000210202 [0,0,0,1,0,0|2,0,0]=3 10550 B12R1.372 CCNCCCN1CCCC1=O 34a_100000210347_100000210202 [0,0,0,1,0,0|2,0,0]=3 10551 B12R1.372 CCOCCCN1CCCC1=O 34a_100011216539_100000210202 [0,0,0,1,0,0|2,0,0]=3 10552 B12R1.372 CCOCCCN1CCCC1=O 7a_100011216539_100000210202 [0,0,0,1,0,0|2,0,0]=3 10553 B12R1.372 CCOCCNC1CCCC1=O 2230a_102516460346_100000211823 [0,0,0,1,0,0|2,0,0]=3 10554 B12R1.372 CCOCCNC1CCCC1=O 34a_102516460346_100000709159 [0,0,0,1,0,0|2,0,0]=3 10555 B12R1.372 CCOCCNC1CCNC1=O 2230a_100016995588_100011215890 [0,0,0,1,0,0|3,0,0]=4 10556 B12R1.372 CCOCCNC1CCNC1=O 34a_100016995588_100000210147 [0,0,0,1,0,0|3,0,0]=4 10557 B12R1.372 CCOCCNC1CCOC1=O 2230a_102516460346_100000211211 [0,0,0,1,0,0|3,0,0]=4 10558 B12R1.372 CCOCCNC1CCOC1=O 34a_102516460346_100000211211 [0,0,0,1,0,0|3,0,0]=4 10559 B12R1.372 CCOCCOC1CCCC1=O 34a_100000210136_100000709159 [0,0,0,1,0,0|2,0,0]=3 10560 B12R1.372 CCOCCOC1CCCC1=O 34a_200000719330_100000210147 [0,0,0,1,0,0|2,0,0]=3 10561 B12R1.372 CCOCCOC1CCCC1=O 7a_100000210136_100000211823 [0,0,0,1,0,0|2,0,0]=3 10562 B12R1.372 CCOCCOC1CCOC1=O 34a_100000210136_100000211211 [0,0,0,1,0,0|3,0,0]=4 10563 B12R1.372 CCOCCOC1CCOC1=O 7a_100000210136_100000211211 [0,0,0,1,0,0|3,0,0]=4 10564 B12R1.372 CCOCCO[C@H]1CCNC1=O 34a_100000688343_100000210147 [0,0,0,1,0,0|3,0,0]=4 10565 B12R1.372 CCOCCSC1CCCC1=O 62a_100000210147_100000211823 [0,0,0,1,0,0|2,0,0]=3 10566 B12R1.372 CCOCCSC1CCCC1=O 62a_100000211823_100011215890 [0,0,0,1,0,0|2,0,0]=3 10567 B12R1.372 CCOCCSC1CCOC1=O 62a_100000210147_100000211211 [0,0,0,1,0,0|3,0,0]=4 10568 B12R1.372 CCOCCSC1CCOC1=O 62a_100000211211_100011215890 [0,0,0,1,0,0|3,0,0]=4 10569 B12R1.372 CCOCSCN1CCCC1=O 62a_100000026320_100000739092 [0,0,0,1,0,0|3,0,0]=4 10570 B12R1.372 CCOCSCN1CCCC1=O 62a_100000739092_100000026320 [0,0,0,1,0,0|3,0,0]=4 10571 B12R1.372 CCSCCNC1CCCC1=O 2230a_100000106463_100000211823 [0,0,0,1,0,0|2,0,0]=3 10572 B12R1.372 CCSCCNC1CCNC1=O 2230a_100016995588_100000757381 [0,0,0,1,0,0|3,0,0]=4 10573 B12R1.372 CCSCCNC1CCNC1=O 34a_100016995588_100000757381 [0,0,0,1,0,0|3,0,0]=4 10574 B12R1.372 CCSCCNC1CCOC1=O 2230a_100000106463_100000211211 [0,0,0,1,0,0|3,0,0]=4 10575 B12R1.372 CCSCCOC1CCCC1=O 34a_100000212035_100000709159 [0,0,0,1,0,0|2,0,0]=3 10576 B12R1.372 CCSCCOC1CCCC1=O 34a_200000719330_100000757381 [0,0,0,1,0,0|2,0,0]=3 10577 B12R1.372 CCSCCOC1CCCC1=O 7a_100000212035_100000211823 [0,0,0,1,0,0|2,0,0]=3 10578 B12R1.372 CCSCCOC1CCOC1=O 34a_100000212035_100000211211 [0,0,0,1,0,0|3,0,0]=4 10579 B12R1.372 CCSCCOC1CCOC1=O 7a_100000212035_100000211211 [0,0,0,1,0,0|3,0,0]=4 10580 B12R1.372 CCSCCO[C@H]1CCNC1=O 34a_100000688343_100000757381 [0,0,0,1,0,0|3,0,0]=4 10581 B12R1.372 CCSCCSC1CCCC1=O 62a_100000211823_100000757381 [0,0,0,1,0,0|2,0,0]=3 10582 B12R1.372 CCSCCSC1CCCC1=O 62a_100000757381_100000211823 [0,0,0,1,0,0|2,0,0]=3 10583 B12R1.372 CCSCCSC1CCOC1=O 62a_100000211211_100000757381 [0,0,0,1,0,0|3,0,0]=4 10584 B12R1.372 CCSCCSC1CCOC1=O 62a_100000757381_100000211211 [0,0,0,1,0,0|3,0,0]=4 10585 B12R1.372 CN1CCCC1CCOCC=O 34a_100011215177_200009817547 [0,0,0,1,0,0|2,0,0]=3 10586 B12R1.372 CN1CCCC1CCOCC=O 7a_100011215177_200015260668 [0,0,0,1,0,0|2,0,0]=3 10587 B12R1.372 CN1CCCC1CCSCC=O 62a_100000005710_200015260668 [0,0,0,1,0,0|2,0,0]=3 10588 B12R1.372 CN1CCCC1CCSCC=O 62a_200015260668_100000005710 [0,0,0,1,0,0|2,0,0]=3 10589 B12R1.372 CNCCCOC1CCCC1=O 34a_100000213112_100000709159 [0,0,0,1,0,0|2,0,0]=3 10590 B12R1.372 CNCCCOC1CCOC1=O 34a_100000213112_100000211211 [0,0,0,1,0,0|3,0,0]=4 10591 B12R1.372 COCCCCN1CCC[C@@H]1C 2230a_100020605311_100000730899 [0,0,0,1,0,0|3,0,0]=4 10592 B12R1.372 COCCCCN1CCC[C@@H]1C 269982a_100020605311_100000730899 [0,0,0,1,0,0|3,0,0]=4 10593 B12R1.372 COCCCCN1CCC[C@H]1C 2230a_100015189458_100000730899 [0,0,0,1,0,0|3,0,0]=4 10594 B12R1.372 COCCCCN1CCC[C@H]1C 269982a_100015189458_100000730899 [0,0,0,1,0,0|3,0,0]=4 10595 B12R1.372 COCCCCN1CCC[C@H]1C 34a_100015189458_100000755781 [0,0,0,1,0,0|3,0,0]=4 10596 B12R1.372 COCCCNC1CCCC1=O 34a_100150723488_100000709159 [0,0,0,1,0,0|2,0,0]=3 10597 B12R1.372 COCCCNC1CCCC1C 269862a_100150723488_100000752053 [0,0,0,1,0,0|3,0,0]=4 10598 B12R1.372 COCCCNC1CCNC1=O 2230a_100016995588_100000740836 [0,0,0,1,0,0|3,0,0]=4 10599 B12R1.372 COCCCNC1CCNC1=O 34a_100016995588_100000740836 [0,0,0,1,0,0|3,0,0]=4 10600 B12R1.372 COCCCNC1CCOC1=O 34a_100150723488_100000211211 [0,0,0,1,0,0|3,0,0]=4 10601 B12R1.372 COCCCOC1CCCC1=O 34a_100000740835_100000709159 [0,0,0,1,0,0|2,0,0]=3 10602 B12R1.372 COCCCOC1CCCC1=O 34a_200000719330_100000740836 [0,0,0,1,0,0|2,0,0]=3 10603 B12R1.372 COCCCOC1CCCC1C 34a_100011216460_100000740836 [0,0,0,1,0,0|3,0,0]=4 10604 B12R1.372 COCCCOC1CCCC1C 7a_100011216460_100000740836 [0,0,0,1,0,0|3,0,0]=4 10605 B12R1.372 COCCCOC1CCOC1=O 34a_100000740835_100000211211 [0,0,0,1,0,0|3,0,0]=4 10606 B12R1.372 COCCCO[C@H]1CCNC1=O 34a_100000688343_100000740836 [0,0,0,1,0,0|3,0,0]=4 10607 B12R1.372 COCCCSC1CCCC1=O 62a_100000211823_100000709357 [0,0,0,1,0,0|2,0,0]=3 10608 B12R1.372 COCCCSC1CCCC1=O 62a_100000709357_100000211823 [0,0,0,1,0,0|2,0,0]=3 10609 B12R1.372 COCCCSC1CCOC1=O 62a_100000211211_100000709357 [0,0,0,1,0,0|3,0,0]=4 10610 B12R1.372 COCCCSC1CCOC1=O 62a_100000709357_100000211211 [0,0,0,1,0,0|3,0,0]=4 10611 B12R1.372 COCCOCC1CCNC1=O 34a_100000133458_100011201679 [0,0,0,1,0,0|3,0,0]=4 10612 B12R1.372 COCCSCN1CCCC1=O 62a_100000026320_100000233755 [0,0,0,1,0,0|3,0,0]=4 10613 B12R1.372 COCCSCN1CCCC1=O 62a_100000233755_100000026320 [0,0,0,1,0,0|3,0,0]=4 10614 B12R1.372 COCNCCN1CCCC1=O 2230a_100011200922_100000766300 [0,0,0,1,0,0|3,0,0]=4 10615 B12R1.372 COCSCCN1CCCC1=O 62a_100000739059_100000766300 [0,0,0,1,0,0|3,0,0]=4 10616 B12R1.372 COCSCCN1CCCC1=O 62a_100000766300_100000739059 [0,0,0,1,0,0|3,0,0]=4 10617 B12R1.372 CSCCCNC1CCCC1=O 2230a_100000749238_100000211823 [0,0,0,1,0,0|2,0,0]=3 10618 B12R1.372 CSCCCNC1CCCC1C 269862a_100000749238_100000752053 [0,0,0,1,0,0|3,0,0]=4 10619 B12R1.372 CSCCCNC1CCOC1=O 2230a_100000749238_100000211211 [0,0,0,1,0,0|3,0,0]=4 10620 B12R1.372 CSCCCOC1CCCC1=O 34a_100000690336_100000709159 [0,0,0,1,0,0|2,0,0]=3 10621 B12R1.372 CSCCCOC1CCCC1=O 7a_100000690336_100000211823 [0,0,0,1,0,0|2,0,0]=3 10622 B12R1.372 CSCCCOC1CCOC1=O 34a_100000690336_100000211211 [0,0,0,1,0,0|3,0,0]=4 10623 B12R1.372 CSCCCOC1CCOC1=O 7a_100000690336_100000211211 [0,0,0,1,0,0|3,0,0]=4 10624 B12R1.372 CSCCOCC1CCNC1=O 34a_100000133458_100000212216 [0,0,0,1,0,0|3,0,0]=4 10625 B12R1.372 CSCCSCN1CCCC1=O 62a_100000026320_100000751147 [0,0,0,1,0,0|3,0,0]=4 10626 B12R1.372 CSCCSCN1CCCC1=O 62a_100000212216_100000026320 [0,0,0,1,0,0|3,0,0]=4 10627 B12R1.372 CSCNCCN1CCCC1=O 2230a_100011200922_100011218213 [0,0,0,1,0,0|3,0,0]=4 10628 B12R1.372 CSCOCCN1CCCC1=O 34a_100000211209_100011218213 [0,0,0,1,0,0|3,0,0]=4 10629 B12R1.372 CSCSCCN1CCCC1=O 62a_100000739059_100011218213 [0,0,0,1,0,0|3,0,0]=4 10630 B12R1.372 CSCSCCN1CCCC1=O 62a_100011218213_100000739059 [0,0,0,1,0,0|3,0,0]=4 10631 B12R1.372 C[C@@H]1CCCN1CCCCC#N 2230a_100015189458_100000211819 [0,0,0,1,0,0|2,0,1]=4 10632 B12R1.372 C[C@@H]1CCCN1CCCCC#N 269982a_100015189458_100011219923 [0,0,0,1,0,0|2,0,1]=4 10633 B12R1.372 C[C@@H]1CCCN1CCCCC=O 2230a_100015189458_100000139335 [0,0,0,1,0,0|1,0,0]=2 10634 B12R1.372 C[C@@H]1CCCN1CCCCC=O 269982a_100015189458_100000139335 [0,0,0,1,0,0|1,0,0]=2 10635 B12R1.372 C[C@@H]1CCCN1CCCCCF 2230a_100015189458_100000729378 [0,0,0,1,0,0|2,0,1]=4 10636 B12R1.372 C[C@@H]1CCCN1CCCCCF 269982a_100015189458_100000729378 [0,0,0,1,0,0|2,0,1]=4 10637 B12R1.372 C[C@@H]1CCCN1CCCCCF 34a_100015189458_100000729378 [0,0,0,1,0,0|2,0,1]=4 10638 B12R1.372 C[C@@H]1CCCN1CCCCCO 2230a_100015189458_100000746330 [0,0,0,1,0,0|1,0,2]=4 10639 B12R1.372 C[C@@H]1CCCN1CCCCCO 269982a_100015189458_100000746330 [0,0,0,1,0,0|1,0,2]=4 10640 B12R1.372 C[C@@H]1CCCN1CCCCCO 34a_100015189458_100000746330 [0,0,0,1,0,0|1,0,2]=4 10641 B12R1.372 C[C@H]1CCCN1CCCCC#N 2230a_100020605311_100000211819 [0,0,0,1,0,0|2,0,1]=4 10642 B12R1.372 C[C@H]1CCCN1CCCCC#N 269982a_100020605311_100011219923 [0,0,0,1,0,0|2,0,1]=4 10643 B12R1.372 C[C@H]1CCCN1CCCCC=O 2230a_100020605311_100000139335 [0,0,0,1,0,0|1,0,0]=2 10644 B12R1.372 C[C@H]1CCCN1CCCCC=O 269982a_100020605311_100000139335 [0,0,0,1,0,0|1,0,0]=2 10645 B12R1.372 C[C@H]1CCCN1CCCCCF 2230a_100020605311_100000729378 [0,0,0,1,0,0|2,0,1]=4 10646 B12R1.372 C[C@H]1CCCN1CCCCCF 269982a_100020605311_100000729378 [0,0,0,1,0,0|2,0,1]=4 10647 B12R1.372 C[C@H]1CCCN1CCCCCO 2230a_100020605311_100000746330 [0,0,0,1,0,0|1,0,2]=4 10648 B12R1.372 C[C@H]1CCCN1CCCCCO 269982a_100020605311_100000746330 [0,0,0,1,0,0|1,0,2]=4 10649 B12R1.372 N#CCCCSC1CCCC1=O 62a_100000211823_100000687738 [0,0,0,1,0,0|2,0,1]=4 10650 B12R1.372 N#CCCCSC1CCCC1=O 62a_100000687738_100000211823 [0,0,0,1,0,0|2,0,1]=4 10651 B12R1.372 NCCCCOC1CCCC1=O 34a_100000750430_100000709159 [0,0,0,1,0,0|2,0,0]=3 10652 B12R1.372 NCCCCOC1CCOC1=O 34a_100000750430_100000211211 [0,0,0,1,0,0|3,0,0]=4 10653 B12R1.372 NCCOCCN1CCCC1=O 34a_100000210304_100000739059 [0,0,0,1,0,0|3,0,0]=4 10654 B12R1.372 O=C1CCCC1NCCCCO 2230a_100000750430_100000211823 [0,0,0,1,0,0|2,0,0]=3 10655 B12R1.372 O=C1CCCC1NCCCCO 34a_100000750430_100000709159 [0,0,0,1,0,0|2,0,0]=3 10656 B12R1.372 O=C1CCCC1OCCCCBr 34a_100011216708_100000709159 [0,0,0,1,0,0|2,0,0]=3 10657 B12R1.372 O=C1CCCC1OCCCCCl 34a_100000210776_100000709159 [0,0,0,1,0,0|2,0,0]=3 10658 B12R1.372 O=C1CCCC1OCCCCCl 7a_100000210776_100000211823 [0,0,0,1,0,0|2,0,0]=3 10659 B12R1.372 O=C1CCCC1OCCCCF 34a_100011995726_100000709159 [0,0,0,1,0,0|2,0,0]=3 10660 B12R1.372 O=C1CCCC1OCCCCF 34a_200000719330_100000729493 [0,0,0,1,0,0|2,0,0]=3 10661 B12R1.372 O=C1CCCC1OCCCCF 7a_100011995726_100000211823 [0,0,0,1,0,0|2,0,0]=3 10662 B12R1.372 O=C1CCCC1OCCCCI 34a_200012148704_100000709159 [0,0,0,1,0,0|2,0,0]=3 10663 B12R1.372 O=C1CCCC1OCCCCO 34a_200000719330_100011216708 [0,0,0,1,0,0|2,0,0]=3 10664 B12R1.372 O=C1CCCC1SCCCCF 62a_100000211823_100000729493 [0,0,0,1,0,0|2,0,0]=3 10665 B12R1.372 O=C1CCCC1SCCCCF 62a_100000729493_100000211823 [0,0,0,1,0,0|2,0,0]=3 10666 B12R1.372 O=C1CCCC1SCCCCO 62a_100000210776_100000211823 [0,0,0,1,0,0|2,0,0]=3 10667 B12R1.372 O=C1CCCC1SCCCCO 62a_100000211823_100000210776 [0,0,0,1,0,0|2,0,0]=3 10668 B12R1.372 O=C1CCCN1CCCNCF 34a_100000210347_100015361967 [0,0,0,1,0,0|3,0,0]=4 10669 B12R1.372 O=C1CCCN1CCCOCF 34a_100011216539_100015361967 [0,0,0,1,0,0|3,0,0]=4 10670 B12R1.372 O=C1CCCN1CCCOCF 7a_100011216539_100015361967 [0,0,0,1,0,0|3,0,0]=4 10671 B12R1.372 O=C1CCCN1CCNCCF 2230a_100011200922_100011217306 [0,0,0,1,0,0|3,0,0]=4 10672 B12R1.372 O=C1CCCN1CCNCCF 34a_100000724931_100000739059 [0,0,0,1,0,0|3,0,0]=4 10673 B12R1.372 O=C1CCCN1CCNCCO 2230a_100011200922_100000211926 [0,0,0,1,0,0|3,0,0]=4 10674 B12R1.372 O=C1CCCN1CCNCCO 2230a_100016997473_100000739059 [0,0,0,1,0,0|3,0,0]=4 10675 B12R1.372 O=C1CCCN1CCNCCO 34a_100016990907_100000739059 [0,0,0,1,0,0|3,0,0]=4 10676 B12R1.372 O=C1CCCN1CCOCCBr 34a_100000211926_100000739059 [0,0,0,1,0,0|3,0,0]=4 10677 B12R1.372 O=C1CCCN1CCOCCF 34a_100000211209_100011217306 [0,0,0,1,0,0|3,0,0]=4 10678 B12R1.372 O=C1CCCN1CCOCCF 7a_100000211209_100011217306 [0,0,0,1,0,0|3,0,0]=4 10679 B12R1.372 O=C1CCCN1CCOCCO 34a_100000211209_100000211926 [0,0,0,1,0,0|3,0,0]=4 10680 B12R1.372 O=C1CCCN1CCOCCO 7a_100000211209_100000211926 [0,0,0,1,0,0|3,0,0]=4 10681 B12R1.372 O=C1CCCN1CCSCCF 62a_100000739059_100011217306 [0,0,0,1,0,0|3,0,0]=4 10682 B12R1.372 O=C1CCCN1CCSCCF 62a_100011217306_100000739059 [0,0,0,1,0,0|3,0,0]=4 10683 B12R1.372 O=C1CCCN1CCSCCO 62a_100000211926_100000739059 [0,0,0,1,0,0|3,0,0]=4 10684 B12R1.372 O=C1CCCN1CCSCCO 62a_100000739059_100000211926 [0,0,0,1,0,0|3,0,0]=4 10685 B12R1.372 O=C1CCCN1CSCCCF 62a_100000026320_100011934791 [0,0,0,1,0,0|3,0,0]=4 10686 B12R1.372 O=C1CCCN1CSCCCF 62a_100011934791_100000026320 [0,0,0,1,0,0|3,0,0]=4 10687 B12R1.372 O=C1CCCN1CSCCCO 62a_100000026320_100011215043 [0,0,0,1,0,0|3,0,0]=4 10688 B12R1.372 O=C1CCCN1CSCCCO 62a_100011215043_100000026320 [0,0,0,1,0,0|3,0,0]=4 10689 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[0,0,0,1,0,0|2,0,1]=4 10947 B12R1.383 CC1CCN1CCCCCCO 269982a_100000755817_100000766143 [0,0,0,1,0,0|1,0,2]=4 10948 B12R1.383 CC1CCN1CCCCCCO 34a_100000755817_100000766143 [0,0,0,1,0,0|1,0,2]=4 10949 B12R1.383 CC=CCCCOC1CCC1=O 34a_100020645299_100009892977 [0,0,0,1,0,0|1,0,2]=4 10950 B12R1.383 CC=CCSCCC1CCC1=O 62a_100000070051_200016118888 [0,0,0,1,0,0|1,0,2]=4 10951 B12R1.383 CC=CCSCCC1CCC1=O 62a_200016118888_100000070051 [0,0,0,1,0,0|1,0,2]=4 10952 B12R1.383 CCC#CCCOC1CCC1=O 34a_100000036655_100009892977 [0,0,0,1,0,0|1,0,2]=4 10953 B12R1.383 CCC#CCCOC1CCC1=O 7a_100000036655_100009892977 [0,0,0,1,0,0|1,0,2]=4 10954 B12R1.383 CCC/C=C/COC1CCC1=O 34a_100016278788_100009892977 [0,0,0,1,0,0|1,0,2]=4 10955 B12R1.383 CCC/C=C/COC1CCC1=O 7a_100016278788_100009892977 [0,0,0,1,0,0|1,0,2]=4 10956 B12R1.383 CCCC#CCOC1CCC1=O 34a_100000034806_100009892977 [0,0,0,1,0,0|1,0,2]=4 10957 B12R1.383 CCCC#CCOC1CCC1=O 7a_100000034806_100009892977 [0,0,0,1,0,0|1,0,2]=4 10958 B12R1.383 CCCCCCCN1CCC1C 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CCCCSCCC1CCC1=O 62a_200016118888_100000210210 [0,0,0,1,0,0|1,0,0]=2 10971 B12R1.383 CCCOCCNC1CCC1=O 34a_100161115042_100009892977 [0,0,0,1,0,0|2,0,0]=3 10972 B12R1.383 CCCOCCOC1CCC1=O 34a_100000752267_100009892977 [0,0,0,1,0,0|2,0,0]=3 10973 B12R1.383 CCCOCCOC1CCC1=O 7a_100000752267_100009892977 [0,0,0,1,0,0|2,0,0]=3 10974 B12R1.383 CCCOCCSC1CCC1=O 62a_100009892977_100011215938 [0,0,0,1,0,0|2,0,0]=3 10975 B12R1.383 CCCOCCSC1CCC1=O 62a_100011215938_100009892977 [0,0,0,1,0,0|2,0,0]=3 10976 B12R1.383 CCCSCCOC1CCC1=O 34a_200000230433_100009892977 [0,0,0,1,0,0|2,0,0]=3 10977 B12R1.383 CCCSCCOC1CCC1=O 7a_200000230433_100009892977 [0,0,0,1,0,0|2,0,0]=3 10978 B12R1.383 CCOCCCNC1CCC1=O 34a_100000210961_100009892977 [0,0,0,1,0,0|2,0,0]=3 10979 B12R1.383 CCOCCCOC1CCC1=O 34a_100000757476_100009892977 [0,0,0,1,0,0|2,0,0]=3 10980 B12R1.383 CCOCCCOC1CCC1=O 7a_100000757476_100009892977 [0,0,0,1,0,0|2,0,0]=3 10981 B12R1.383 CCOCCCSC1CCC1=O 62a_100009892977_100012232248 [0,0,0,1,0,0|2,0,0]=3 10982 B12R1.383 CCOCCCSC1CCC1=O 62a_100012232248_100009892977 [0,0,0,1,0,0|2,0,0]=3 10983 B12R1.383 CCOCSCCC1CCC1=O 62a_100000739092_200016118888 [0,0,0,1,0,0|2,0,0]=3 10984 B12R1.383 CCOCSCCC1CCC1=O 62a_200016118888_100000739092 [0,0,0,1,0,0|2,0,0]=3 10985 B12R1.383 CCSCCCOC1CCC1=O 34a_100011216438_100009892977 [0,0,0,1,0,0|2,0,0]=3 10986 B12R1.383 CCSCCCOC1CCC1=O 7a_100011216438_100009892977 [0,0,0,1,0,0|2,0,0]=3 10987 B12R1.383 COCCCCOC1CCC1=O 34a_100000740925_100009892977 [0,0,0,1,0,0|2,0,0]=3 10988 B12R1.383 COCCCCSC1CCC1=O 62a_100000730899_100009892977 [0,0,0,1,0,0|2,0,0]=3 10989 B12R1.383 COCCCCSC1CCC1=O 62a_100009892977_100000730899 [0,0,0,1,0,0|2,0,0]=3 10990 B12R1.383 COCCNCCC1CCC1=O 2230a_100000209980_200016118888 [0,0,0,1,0,0|2,0,0]=3 10991 B12R1.383 COCCOCSC1CCC1=O 62a_100000231047_100009892977 [0,0,0,1,0,0|3,0,0]=4 10992 B12R1.383 COCCOCSC1CCC1=O 62a_100009892977_100000231047 [0,0,0,1,0,0|3,0,0]=4 10993 B12R1.383 COCCSCCC1CCC1=O 62a_100000233755_200016118888 [0,0,0,1,0,0|2,0,0]=3 10994 B12R1.383 COCCSCCC1CCC1=O 62a_200016118888_100000233755 [0,0,0,1,0,0|2,0,0]=3 10995 B12R1.383 CSCCCCOC1CCC1=O 34a_100011217163_100009892977 [0,0,0,1,0,0|2,0,0]=3 10996 B12R1.383 CSCCCCOC1CCC1=O 7a_100011217163_100009892977 [0,0,0,1,0,0|2,0,0]=3 10997 B12R1.383 CSCCNCCC1CCC1=O 2230a_100020590264_200016118888 [0,0,0,1,0,0|2,0,0]=3 10998 B12R1.383 CSCCOCCC1CCC1=O 7a_100000230434_200016118888 [0,0,0,1,0,0|2,0,0]=3 10999 B12R1.383 CSCCSCCC1CCC1=O 62a_100000212216_200016118888 [0,0,0,1,0,0|2,0,0]=3 11000 B12R1.383 CSCCSCCC1CCC1=O 62a_200016118888_100000751147 [0,0,0,1,0,0|2,0,0]=3 11001 B12R1.383 N#CCCCCSC1CCC1=O 62a_100009892977_100000211819 [0,0,0,1,0,0|2,0,1]=4 11002 B12R1.383 N#CCCCCSC1CCC1=O 62a_100011219923_100009892977 [0,0,0,1,0,0|2,0,1]=4 11003 B12R1.383 N#CCCSCCC1CCC1=O 62a_100011215226_200016118888 [0,0,0,1,0,0|2,0,1]=4 11004 B12R1.383 N#CCCSCCC1CCC1=O 62a_200016118888_100011215226 [0,0,0,1,0,0|2,0,1]=4 11005 B12R1.383 NCCCCCOC1CCC1=O 34a_100000762737_100009892977 [0,0,0,1,0,0|2,0,0]=3 11006 B12R1.383 NCCOCCOC1CCC1=O 34a_100000211614_100009892977 [0,0,0,1,0,0|3,0,0]=4 11007 B12R1.383 O=C1CCC1CCNCCCF 2230a_100015189416_200016118888 [0,0,0,1,0,0|2,0,0]=3 11008 B12R1.383 O=C1CCC1CCSCCCF 62a_100011934791_200016118888 [0,0,0,1,0,0|2,0,0]=3 11009 B12R1.383 O=C1CCC1CCSCCCF 62a_200016118888_100011934791 [0,0,0,1,0,0|2,0,0]=3 11010 B12R1.383 O=C1CCC1CCSCCCO 62a_100011215043_200016118888 [0,0,0,1,0,0|2,0,0]=3 11011 B12R1.383 O=C1CCC1CCSCCCO 62a_200016118888_100011215043 [0,0,0,1,0,0|2,0,0]=3 11012 B12R1.383 O=C1CCC1NCCCCCO 34a_100000762737_100009892977 [0,0,0,1,0,0|2,0,0]=3 11013 B12R1.383 O=C1CCC1NCCOCCO 34a_100000211614_100009892977 [0,0,0,1,0,0|3,0,0]=4 11014 B12R1.383 O=C1CCC1OCCCCCBr 34a_100000746331_100009892977 [0,0,0,1,0,0|2,0,0]=3 11015 B12R1.383 O=C1CCC1OCCCCCBr 7a_100000746331_100009892977 [0,0,0,1,0,0|2,0,0]=3 11016 B12R1.383 O=C1CCC1OCCCCCCl 34a_100000746330_100009892977 [0,0,0,1,0,0|2,0,0]=3 11017 B12R1.383 O=C1CCC1OCCCCCCl 7a_100000746330_100009892977 [0,0,0,1,0,0|2,0,0]=3 11018 B12R1.383 O=C1CCC1OCCCCCI 34a_200012148887_100009892977 [0,0,0,1,0,0|2,0,0]=3 11019 B12R1.383 O=C1CCC1OCCCCCI 7a_200012148887_100009892977 [0,0,0,1,0,0|2,0,0]=3 11020 B12R1.383 O=C1CCC1OCCOCCBr 34a_100000692535_100009892977 [0,0,0,1,0,0|3,0,0]=4 11021 B12R1.383 O=C1CCC1OCCOCCBr 7a_100000692535_100009892977 [0,0,0,1,0,0|3,0,0]=4 11022 B12R1.383 O=C1CCC1OCCOCCCl 34a_100011215305_100009892977 [0,0,0,1,0,0|3,0,0]=4 11023 B12R1.383 O=C1CCC1OCCOCCCl 7a_100011215305_100009892977 [0,0,0,1,0,0|3,0,0]=4 11024 B12R1.383 O=C1CCC1OCCOCCF 34a_200015357709_100009892977 [0,0,0,1,0,0|3,0,0]=4 11025 B12R1.383 O=C1CCC1OCCOCCF 7a_200015357709_100009892977 [0,0,0,1,0,0|3,0,0]=4 11026 B12R1.383 O=C1CCC1OCCOCCI 34a_100012149058_100009892977 [0,0,0,1,0,0|3,0,0]=4 11027 B12R1.383 O=C1CCC1OCCOCCI 7a_100012149058_100009892977 [0,0,0,1,0,0|3,0,0]=4 11028 B12R1.383 O=C1CCC1SCCCCCF 62a_100000729378_100009892977 [0,0,0,1,0,0|2,0,0]=3 11029 B12R1.383 O=C1CCC1SCCCCCF 62a_100009892977_100000729378 [0,0,0,1,0,0|2,0,0]=3 11030 B12R1.383 O=C1CCC1SCCCCCO 62a_100000746330_100009892977 [0,0,0,1,0,0|2,0,0]=3 11031 B12R1.383 O=C1CCC1SCCCCCO 62a_100009892977_100000746330 [0,0,0,1,0,0|2,0,0]=3 11032 B12R1.383 O=C1CCC1SCCOCCO 62a_100009892977_100011215305 [0,0,0,1,0,0|3,0,0]=4 11033 B12R1.383 O=C1CCC1SCCOCCO 62a_100011215305_100009892977 [0,0,0,1,0,0|3,0,0]=4 11034 B12R1.383 O=CCCCCSC1CCC1=O 62a_100000139335_100009892977 [0,0,0,1,0,0|2,0,1]=4 11035 B12R1.383 O=CCCCCSC1CCC1=O 62a_100009892977_100000139335 [0,0,0,1,0,0|2,0,1]=4 11036 B12R1.458 C=CCCCN1CCC1COC 2230a_100015195929_100011713584 [0,0,0,1,0,0|3,0,0]=4 11037 B12R1.458 C=CCCCN1CCC1COC 269982a_100015195929_100000757094 [0,0,0,1,0,0|3,0,0]=4 11038 B12R1.458 C=CCCCN1CCC1COC 34a_100015195929_100000757094 [0,0,0,1,0,0|3,0,0]=4 11039 B12R1.458 CCCCCN1CCC1COC 2230a_100015195929_100000210326 [0,0,0,1,0,0|3,0,0]=4 11040 B12R1.458 CCCCCN1CCC1COC 269982a_100015195929_100000210215 [0,0,0,1,0,0|3,0,0]=4 11041 B12R1.458 CCCCCN1CCC1COC 34a_100015195929_100000718602 [0,0,0,1,0,0|3,0,0]=4 11042 B12R1.458 COCC1CCN1CCCC=O 2230a_100015195929_200011292268 [0,0,0,1,0,0|2,0,0]=3 11043 B12R1.458 COCC1CCN1CCCC=O 269982a_100015195929_200011292268 [0,0,0,1,0,0|2,0,0]=3 11044 B12R1.1414 BrCCCOC1CCCCCC1 34a_100011217188_100011217769 [0,0,0,1,0,0|2,0,1]=4 11045 B12R1.1414 BrCCOCC1CCCCCC1 34a_100000211926_200000696569 [0,0,0,1,0,0|2,0,1]=4 11046 B12R1.1414 C#CCCCN1CCCCCC1 2230a_100000185865_100000731252 [0,0,0,1,0,0|2,0,1]=4 11047 B12R1.1414 C#CCCCN1CCCCCC1 269982a_100000185865_100011215417 [0,0,0,1,0,0|2,0,1]=4 11048 B12R1.1414 C#CCCCN1CCCCCC1 34a_100000185865_100000695029 [0,0,0,1,0,0|2,0,1]=4 11049 B12R1.1414 C#CCCNC1CCCCCC1 2230a_100000210984_100000688953 [0,0,0,1,0,0|2,0,1]=4 11050 B12R1.1414 C#CCCNC1CCCCCC1 34a_100000210984_100000688953 [0,0,0,1,0,0|2,0,1]=4 11051 B12R1.1414 C#CCCNC1CCCCCC1 34a_100000755551_100011217769 [0,0,0,1,0,0|2,0,1]=4 11052 B12R1.1414 C#CCCOC1CCCCCC1 34a_100000210887_100000688953 [0,0,0,1,0,0|2,0,1]=4 11053 B12R1.1414 C#CCCOC1CCCCCC1 34a_100011215631_100011217769 [0,0,0,1,0,0|2,0,1]=4 11054 B12R1.1414 C#CCCOC1CCCCCC1 7a_100000210887_100000688953 [0,0,0,1,0,0|2,0,1]=4 11055 B12R1.1414 C#CCCSC1CCCCCC1 62a_100000688953_100011217769 [0,0,0,1,0,0|2,0,1]=4 11056 B12R1.1414 C#CCCSC1CCCCCC1 62a_100011217769_100000688953 [0,0,0,1,0,0|2,0,1]=4 11057 B12R1.1414 C#CCNCC1CCCCCC1 2230a_100015204231_100000038162 [0,0,0,1,0,0|2,0,1]=4 11058 B12R1.1414 C#CCNCC1CCCCCC1 34a_100000212058_200000696569 [0,0,0,1,0,0|2,0,1]=4 11059 B12R1.1414 C#CCNCC1CCCCCC1 34a_100015204231_100000184674 [0,0,0,1,0,0|2,0,1]=4 11060 B12R1.1414 C#CCOCC1CCCCCC1 34a_100000210247_200000696569 [0,0,0,1,0,0|2,0,1]=4 11061 B12R1.1414 C#CCOCC1CCCCCC1 34a_100000699130_100000184674 [0,0,0,1,0,0|2,0,1]=4 11062 B12R1.1414 C#CCOCC1CCCCCC1 7a_100000699130_100000038162 [0,0,0,1,0,0|2,0,1]=4 11063 B12R1.1414 C#CCSCC1CCCCCC1 62a_100000038162_200000696569 [0,0,0,1,0,0|2,0,1]=4 11064 B12R1.1414 C/C=C/CNC1CCCCCC1 34a_100000210984_100102629194 [0,0,0,1,0,0|2,0,1]=4 11065 B12R1.1414 C/C=C/COC1CCCCCC1 34a_100000210887_100102629194 [0,0,0,1,0,0|2,0,1]=4 11066 B12R1.1414 C/C=C/COC1CCCCCC1 34a_100016270725_100011217769 [0,0,0,1,0,0|2,0,1]=4 11067 B12R1.1414 C/C=C/COC1CCCCCC1 7a_100000210887_100102629194 [0,0,0,1,0,0|2,0,1]=4 11068 B12R1.1414 C/C=C/CSC1CCCCCC1 62a_100011217769_100102629194 [0,0,0,1,0,0|2,0,1]=4 11069 B12R1.1414 C/C=C/CSC1CCCCCC1 62a_100102629194_100011217769 [0,0,0,1,0,0|2,0,1]=4 11070 B12R1.1414 C=CCCCN1CCCCCC1 2230a_100000185865_100011713584 [0,0,0,1,0,0|2,0,0]=3 11071 B12R1.1414 C=CCCCN1CCCCCC1 269982a_100000185865_100000757094 [0,0,0,1,0,0|2,0,0]=3 11072 B12R1.1414 C=CCCCN1CCCCCC1 34a_100000185865_100000757094 [0,0,0,1,0,0|2,0,0]=3 11073 B12R1.1414 C=CCCCN1CCCOCC1 2230a_100000685342_100011713584 [0,0,0,1,0,0|3,0,0]=4 11074 B12R1.1414 C=CCCCN1CCCOCC1 269982a_100000685342_100000757094 [0,0,0,1,0,0|3,0,0]=4 11075 B12R1.1414 C=CCCCN1CCCOCC1 34a_100000685342_100000757094 [0,0,0,1,0,0|3,0,0]=4 11076 B12R1.1414 C=CCCNC1CCCCCC1 2230a_100000210984_100000754431 [0,0,0,1,0,0|2,0,0]=3 11077 B12R1.1414 C=CCCNC1CCCCCC1 270004a_100015191253_100000210131 [0,0,0,1,0,0|2,0,0]=3 11078 B12R1.1414 C=CCCNC1CCCCCC1 34a_100000210984_100000754431 [0,0,0,1,0,0|2,0,0]=3 11079 B12R1.1414 C=CCCNC1CCCNCC1 270004a_100015191253_100015187895 [0,0,0,1,0,0|3,0,0]=4 11080 B12R1.1414 C=CCCOC1CCCCCC1 34a_100000210887_100000754431 [0,0,0,1,0,0|2,0,0]=3 11081 B12R1.1414 C=CCCOC1CCCCCC1 34a_100011205117_100011217769 [0,0,0,1,0,0|2,0,0]=3 11082 B12R1.1414 C=CCCOC1CCCCCC1 7a_100000210887_100000754431 [0,0,0,1,0,0|2,0,0]=3 11083 B12R1.1414 C=CCCSC1CCCCCC1 62a_100000754431_100011217769 [0,0,0,1,0,0|2,0,0]=3 11084 B12R1.1414 C=CCCSC1CCCCCC1 62a_100011217769_100000754431 [0,0,0,1,0,0|2,0,0]=3 11085 B12R1.1414 C=CCNCC1CCCCCC1 2230a_100015204231_100000210623 [0,0,0,1,0,0|2,0,0]=3 11086 B12R1.1414 C=CCNCC1CCCCCC1 2230a_100020586998_200000696569 [0,0,0,1,0,0|2,0,0]=3 11087 B12R1.1414 C=CCNCC1CCCCCC1 34a_100015204231_100015514636 [0,0,0,1,0,0|2,0,0]=3 11088 B12R1.1414 C=CCOCC1CCCCCC1 34a_100000699130_100015514636 [0,0,0,1,0,0|2,0,0]=3 11089 B12R1.1414 C=CCOCC1CCCCCC1 34a_200000210373_200000696569 [0,0,0,1,0,0|2,0,0]=3 11090 B12R1.1414 C=CCOCC1CCCCCC1 7a_100000699130_100015514636 [0,0,0,1,0,0|2,0,0]=3 11091 B12R1.1414 C=CCSCC1CCCCCC1 62a_100000210623_200000696569 [0,0,0,1,0,0|2,0,0]=3 11092 B12R1.1414 C=CCSCC1CCCCCC1 62a_200000696569_100000210623 [0,0,0,1,0,0|2,0,0]=3 11093 B12R1.1414 C=COCCN1CCCCCC1 2230a_100000185865_100000039644 [0,0,0,1,0,0|3,0,0]=4 11094 B12R1.1414 C=COCCN1CCCCCC1 269982a_100000185865_100000039644 [0,0,0,1,0,0|3,0,0]=4 11095 B12R1.1414 C=COCCN1CCCCCC1 34a_100000185865_100000039644 [0,0,0,1,0,0|3,0,0]=4 11096 B12R1.1414 CC=CCNC1CCCCCC1 2230a_100000210984_100000070051 [0,0,0,1,0,0|2,0,1]=4 11097 B12R1.1414 CC=CCNC1CCCCCC1 34a_100000210984_100000070051 [0,0,0,1,0,0|2,0,1]=4 11098 B12R1.1414 CC=CCOC1CCCCCC1 34a_100000210887_100000070051 [0,0,0,1,0,0|2,0,1]=4 11099 B12R1.1414 CC=CCOC1CCCCCC1 7a_100000210887_100000070051 [0,0,0,1,0,0|2,0,1]=4 11100 B12R1.1414 CC=CCSC1CCCCCC1 62a_100000070051_100011217769 [0,0,0,1,0,0|2,0,1]=4 11101 B12R1.1414 CC=CCSC1CCCCCC1 62a_100011217769_100000070051 [0,0,0,1,0,0|2,0,1]=4 11102 B12R1.1414 CCCCCN1CCCCCC1 2230a_100000185865_100000210326 [0,0,0,1,0,0|2,0,1]=4 11103 B12R1.1414 CCCCCN1CCCCCC1 269982a_100000185865_100000210215 [0,0,0,1,0,0|2,0,1]=4 11104 B12R1.1414 CCCCCN1CCCCCC1 34a_100000185865_100000718602 [0,0,0,1,0,0|2,0,1]=4 11105 B12R1.1414 CCCCNC1CCCCCC1 2230a_100000210984_100000210211 [0,0,0,1,0,0|2,0,1]=4 11106 B12R1.1414 CCCCNC1CCCCCC1 270004a_100000102301_100000210131 [0,0,0,1,0,0|2,0,1]=4 11107 B12R1.1414 CCCCNC1CCCCCC1 34a_100000210984_100000210210 [0,0,0,1,0,0|2,0,1]=4 11108 B12R1.1414 CCCCOC1CCCCCC1 34a_100000210227_100011217769 [0,0,0,1,0,0|2,0,1]=4 11109 B12R1.1414 CCCCOC1CCCCCC1 34a_100000210887_100000210210 [0,0,0,1,0,0|2,0,1]=4 11110 B12R1.1414 CCCCOC1CCCCCC1 7a_100000210887_100000210211 [0,0,0,1,0,0|2,0,1]=4 11111 B12R1.1414 CCCCSC1CCCCCC1 62a_100000210211_100011217769 [0,0,0,1,0,0|2,0,1]=4 11112 B12R1.1414 CCCCSC1CCCCCC1 62a_100011217769_100000210210 [0,0,0,1,0,0|2,0,1]=4 11113 B12R1.1414 CCCNCC1CCCCCC1 2230a_100015204231_100000210303 [0,0,0,1,0,0|2,0,1]=4 11114 B12R1.1414 CCCNCC1CCCCCC1 269862a_100020643023_200000763224 [0,0,0,1,0,0|2,0,1]=4 11115 B12R1.1414 CCCNCC1CCCCCC1 34a_100015204231_100000210303 [0,0,0,1,0,0|2,0,1]=4 11116 B12R1.1414 CCCOCC1CCCCCC1 34a_100000210258_200000696569 [0,0,0,1,0,0|2,0,1]=4 11117 B12R1.1414 CCCOCC1CCCCCC1 34a_100000699130_100000210303 [0,0,0,1,0,0|2,0,1]=4 11118 B12R1.1414 CCCOCC1CCCCCC1 7a_100000699130_100000210303 [0,0,0,1,0,0|2,0,1]=4 11119 B12R1.1414 CCCSCC1CCCCCC1 62a_100000210303_200000696569 [0,0,0,1,0,0|2,0,1]=4 11120 B12R1.1414 CCCSCC1CCCCCC1 62a_200000696569_100000210303 [0,0,0,1,0,0|2,0,1]=4 11121 B12R1.1414 CCNCCC1CCCCCC1 2230a_100011532351_100000210202 [0,0,0,1,0,0|2,0,1]=4 11122 B12R1.1414 CCNCCC1CCCCCC1 34a_100011532351_100000210202 [0,0,0,1,0,0|2,0,1]=4 11123 B12R1.1414 COCCCN1CCCCCC1 2230a_100000185865_100000740836 [0,0,0,1,0,0|3,0,0]=4 11124 B12R1.1414 COCCCN1CCCCCC1 269982a_100000185865_100000740836 [0,0,0,1,0,0|3,0,0]=4 11125 B12R1.1414 COCCCN1CCCCCC1 34a_100000185865_100000740836 [0,0,0,1,0,0|3,0,0]=4 11126 B12R1.1414 COCCCN1CCCCCC1 34a_100102886287_200000210301 [0,0,0,1,0,0|3,0,0]=4 11127 B12R1.1414 COCCCN1CCCCCC1 7a_100102886287_200000210301 [0,0,0,1,0,0|3,0,0]=4 11128 B12R1.1414 COCCNC1CCCCCC1 2230a_100000210984_100011201679 [0,0,0,1,0,0|3,0,0]=4 11129 B12R1.1414 COCCNC1CCCCCC1 270004a_100000209980_100000210131 [0,0,0,1,0,0|3,0,0]=4 11130 B12R1.1414 COCCNC1CCCCCC1 34a_100000210984_100011201679 [0,0,0,1,0,0|3,0,0]=4 11131 B12R1.1414 COCCOC1CCCCCC1 34a_100000210237_100011217769 [0,0,0,1,0,0|3,0,0]=4 11132 B12R1.1414 COCCOC1CCCCCC1 34a_100000210887_100011201679 [0,0,0,1,0,0|3,0,0]=4 11133 B12R1.1414 COCCOC1CCCCCC1 7a_100000210887_100000233755 [0,0,0,1,0,0|3,0,0]=4 11134 B12R1.1414 COCCSC1CCCCCC1 62a_100000233755_100011217769 [0,0,0,1,0,0|3,0,0]=4 11135 B12R1.1414 COCCSC1CCCCCC1 62a_100011217769_100000233755 [0,0,0,1,0,0|3,0,0]=4 11136 B12R1.1414 COCNCC1CCCCCC1 2230a_100015204231_100000766300 [0,0,0,1,0,0|3,0,0]=4 11137 B12R1.1414 COCSCC1CCCCCC1 62a_100000766300_200000696569 [0,0,0,1,0,0|3,0,0]=4 11138 B12R1.1414 COCSCC1CCCCCC1 62a_200000696569_100000766300 [0,0,0,1,0,0|3,0,0]=4 11139 B12R1.1414 CSCCNC1CCCCCC1 2230a_100000210984_100000751147 [0,0,0,1,0,0|3,0,0]=4 11140 B12R1.1414 CSCCNC1CCCCCC1 270004a_100020590264_100000210131 [0,0,0,1,0,0|3,0,0]=4 11141 B12R1.1414 CSCCNC1CCCCCC1 34a_100000210984_100000212216 [0,0,0,1,0,0|3,0,0]=4 11142 B12R1.1414 CSCCOC1CCCCCC1 34a_100000210887_100000212216 [0,0,0,1,0,0|3,0,0]=4 11143 B12R1.1414 CSCCOC1CCCCCC1 34a_100000230434_100011217769 [0,0,0,1,0,0|3,0,0]=4 11144 B12R1.1414 CSCCOC1CCCCCC1 7a_100000210887_100000212216 [0,0,0,1,0,0|3,0,0]=4 11145 B12R1.1414 CSCCSC1CCCCCC1 62a_100000212216_100011217769 [0,0,0,1,0,0|3,0,0]=4 11146 B12R1.1414 CSCCSC1CCCCCC1 62a_100011217769_100000751147 [0,0,0,1,0,0|3,0,0]=4 11147 B12R1.1414 CSCNCC1CCCCCC1 2230a_100015204231_100011218213 [0,0,0,1,0,0|3,0,0]=4 11148 B12R1.1414 CSCNCC1CCCCCC1 34a_100015204231_100011218213 [0,0,0,1,0,0|3,0,0]=4 11149 B12R1.1414 CSCOCC1CCCCCC1 34a_100000699130_100011218213 [0,0,0,1,0,0|3,0,0]=4 11150 B12R1.1414 CSCSCC1CCCCCC1 62a_100011218213_200000696569 [0,0,0,1,0,0|3,0,0]=4 11151 B12R1.1414 CSCSCC1CCCCCC1 62a_200000696569_100011218213 [0,0,0,1,0,0|3,0,0]=4 11152 B12R1.1414 ClCCCOC1CCCCCC1 34a_100000230001_100011217769 [0,0,0,1,0,0|2,0,1]=4 11153 B12R1.1414 FCCCCN1CCCCCC1 2230a_100000185865_100000729493 [0,0,0,1,0,0|2,0,1]=4 11154 B12R1.1414 FCCCCN1CCCCCC1 269982a_100000185865_100000729493 [0,0,0,1,0,0|2,0,1]=4 11155 B12R1.1414 FCCCCN1CCCCCC1 34a_100000185865_100000729493 [0,0,0,1,0,0|2,0,1]=4 11156 B12R1.1414 FCCCNC1CCCCCC1 2230a_100000210984_100011934791 [0,0,0,1,0,0|2,0,1]=4 11157 B12R1.1414 FCCCNC1CCCCCC1 270004a_100015189416_100000210131 [0,0,0,1,0,0|2,0,1]=4 11158 B12R1.1414 FCCCNC1CCCCCC1 34a_100000210984_100011934791 [0,0,0,1,0,0|2,0,1]=4 11159 B12R1.1414 FCCCNC1CCCCCC1 34a_100015189416_100011217769 [0,0,0,1,0,0|2,0,1]=4 11160 B12R1.1414 FCCCOC1CCCCCC1 34a_100000210887_100011934791 [0,0,0,1,0,0|2,0,1]=4 11161 B12R1.1414 FCCCOC1CCCCCC1 34a_100000759539_100011217769 [0,0,0,1,0,0|2,0,1]=4 11162 B12R1.1414 FCCCOC1CCCCCC1 7a_100000210887_100011934791 [0,0,0,1,0,0|2,0,1]=4 11163 B12R1.1414 FCCCSC1CCCCCC1 62a_100011217769_100011934791 [0,0,0,1,0,0|2,0,1]=4 11164 B12R1.1414 FCCCSC1CCCCCC1 62a_100011934791_100011217769 [0,0,0,1,0,0|2,0,1]=4 11165 B12R1.1414 FCCNCC1CCCCCC1 2230a_100015204231_100011217306 [0,0,0,1,0,0|2,0,1]=4 11166 B12R1.1414 FCCNCC1CCCCCC1 269862a_100000724931_200000763224 [0,0,0,1,0,0|2,0,1]=4 11167 B12R1.1414 FCCNCC1CCCCCC1 34a_100000724931_200000696569 [0,0,0,1,0,0|2,0,1]=4 11168 B12R1.1414 FCCNCC1CCCCCC1 34a_100015204231_100011217306 [0,0,0,1,0,0|2,0,1]=4 11169 B12R1.1414 FCCOCC1CCCCCC1 34a_100000699130_100011217306 [0,0,0,1,0,0|2,0,1]=4 11170 B12R1.1414 FCCOCC1CCCCCC1 7a_100000699130_100011217306 [0,0,0,1,0,0|2,0,1]=4 11171 B12R1.1414 FCCSCC1CCCCCC1 62a_100011217306_200000696569 [0,0,0,1,0,0|2,0,1]=4 11172 B12R1.1414 FCCSCC1CCCCCC1 62a_200000696569_100011217306 [0,0,0,1,0,0|2,0,1]=4 11173 B12R1.1414 FCNCCC1CCCCCC1 34a_100011532351_100015361967 [0,0,0,1,0,0|2,0,1]=4 11174 B12R1.1414 N#CCCCN1CCCCCC1 2230a_100000185865_100000687738 [0,0,0,1,0,0|2,0,1]=4 11175 B12R1.1414 N#CCCCN1CCCCCC1 269982a_100000185865_100000687738 [0,0,0,1,0,0|2,0,1]=4 11176 B12R1.1414 N#CCCNC1CCCCCC1 2230a_100000210984_100011215226 [0,0,0,1,0,0|2,0,1]=4 11177 B12R1.1414 N#CCCNC1CCCCCC1 270004a_100000720768_100000210131 [0,0,0,1,0,0|2,0,1]=4 11178 B12R1.1414 N#CCCOC1CCCCCC1 7a_100000210887_100000184422 [0,0,0,1,0,0|2,0,1]=4 11179 B12R1.1414 N#CCCSC1CCCCCC1 62a_100011215226_100011217769 [0,0,0,1,0,0|2,0,1]=4 11180 B12R1.1414 N#CCCSC1CCCCCC1 62a_100011217769_100011215226 [0,0,0,1,0,0|2,0,1]=4 11181 B12R1.1414 N#CCNCC1CCCCCC1 2230a_100015204231_100011215382 [0,0,0,1,0,0|2,0,1]=4 11182 B12R1.1414 N#CCOCC1CCCCCC1 7a_100000699130_100011215382 [0,0,0,1,0,0|2,0,1]=4 11183 B12R1.1414 N#CCSCC1CCCCCC1 62a_100011215382_200000696569 [0,0,0,1,0,0|2,0,1]=4 11184 B12R1.1414 N#CCSCC1CCCCCC1 62a_200000696569_100011215382 [0,0,0,1,0,0|2,0,1]=4 11185 B12R1.1414 NCCCOC1CCCCCC1 34a_100000182051_100011217769 [0,0,0,1,0,0|2,0,1]=4 11186 B12R1.1414 NCCOCC1CCCCCC1 34a_100000210304_200000696569 [0,0,0,1,0,0|2,0,1]=4 11187 B12R1.1414 NOCCOC1CCCCCC1 34a_100000700252_100011217769 [0,0,0,1,0,0|3,0,0]=4 11188 B12R1.1414 O=CCCCN1CCCCCC1 2230a_100000185865_200011292268 [0,0,0,1,0,0|1,0,0]=2 11189 B12R1.1414 O=CCCCN1CCCCCC1 269982a_100000185865_200011292268 [0,0,0,1,0,0|1,0,0]=2 11190 B12R1.1414 O=CCCCN1CCCOCC1 2230a_100000685342_200011292268 [0,0,0,1,0,0|2,0,0]=3 11191 B12R1.1414 O=CCCCN1CCCOCC1 269982a_100000685342_200011292268 [0,0,0,1,0,0|2,0,0]=3 11192 B12R1.1414 O=CCNCC1CCCCCC1 2230a_100015204231_200015260668 [0,0,0,1,0,0|1,0,0]=2 11193 B12R1.1414 O=CCNCC1CCCCCC1 34a_100015204231_200009817547 [0,0,0,1,0,0|1,0,0]=2 11194 B12R1.1414 O=CCOCC1CCCCCC1 34a_100000699130_200009817547 [0,0,0,1,0,0|1,0,0]=2 11195 B12R1.1414 O=CCOCC1CCCCCC1 7a_100000699130_200015260668 [0,0,0,1,0,0|1,0,0]=2 11196 B12R1.1414 O=CCOCC1CNCCOC1 34a_100103147999_200009817547 [0,0,0,1,0,0|3,0,0]=4 11197 B12R1.1414 O=CCSCC1CCCCCC1 62a_200000696569_200015260668 [0,0,0,1,0,0|1,0,0]=2 11198 B12R1.1414 O=CCSCC1CCCCCC1 62a_200015260668_200000696569 [0,0,0,1,0,0|1,0,0]=2 11199 B12R1.1414 OCCCCN1CCCCCC1 2230a_100000185865_100000210776 [0,0,0,1,0,0|1,0,2]=4 11200 B12R1.1414 OCCCCN1CCCCCC1 269982a_100000185865_100000210776 [0,0,0,1,0,0|1,0,2]=4 11201 B12R1.1414 OCCCCN1CCCCCC1 34a_100000185865_100011216708 [0,0,0,1,0,0|1,0,2]=4 11202 B12R1.1414 OCCCNC1CCCCCC1 2230a_100000210984_100000230001 [0,0,0,1,0,0|1,0,2]=4 11203 B12R1.1414 OCCCNC1CCCCCC1 270004a_100000182051_100000210131 [0,0,0,1,0,0|1,0,2]=4 11204 B12R1.1414 OCCCNC1CCCCCC1 34a_100000210984_100000230001 [0,0,0,1,0,0|1,0,2]=4 11205 B12R1.1414 OCCCOC1CCCCCC1 34a_100000210887_100000230001 [0,0,0,1,0,0|1,0,2]=4 11206 B12R1.1414 OCCCOC1CCCCCC1 7a_100000210887_100011215043 [0,0,0,1,0,0|1,0,2]=4 11207 B12R1.1414 OCCCSC1CCCCCC1 62a_100011215043_100011217769 [0,0,0,1,0,0|1,0,2]=4 11208 B12R1.1414 OCCCSC1CCCCCC1 62a_100011217769_100011215043 [0,0,0,1,0,0|1,0,2]=4 11209 B12R1.1414 OCCNCC1CCCCCC1 2230a_100015204231_100000211926 [0,0,0,1,0,0|1,0,2]=4 11210 B12R1.1414 OCCNCC1CCCCCC1 2230a_100016997473_200000696569 [0,0,0,1,0,0|1,0,2]=4 11211 B12R1.1414 OCCNCC1CCCCCC1 269862a_100000210304_200000763224 [0,0,0,1,0,0|1,0,2]=4 11212 B12R1.1414 OCCNCC1CCCCCC1 34a_100015204231_100000211926 [0,0,0,1,0,0|1,0,2]=4 11213 B12R1.1414 OCCNCC1CCCCCC1 34a_100016990907_200000696569 [0,0,0,1,0,0|1,0,2]=4 11214 B12R1.1414 OCCOCC1CCCCCC1 34a_100000699130_100000211926 [0,0,0,1,0,0|1,0,2]=4 11215 B12R1.1414 OCCOCC1CCCCCC1 7a_100000699130_100000211926 [0,0,0,1,0,0|1,0,2]=4 11216 B12R1.1414 OCCSCC1CCCCCC1 62a_100000211926_200000696569 [0,0,0,1,0,0|1,0,2]=4 11217 B12R1.1414 OCCSCC1CCCCCC1 62a_200000696569_100000211926 [0,0,0,1,0,0|1,0,2]=4 11218 B12R1.1414 [13CH3]OCCCN1CCCCCC1 34a_100102886287_200025704644 [0,0,0,1,0,0|3,0,0]=4 11219 B12R1.1414 [13CH3]OCCCN1CCCCCC1 7a_100102886287_200025704644 [0,0,0,1,0,0|3,0,0]=4 11220 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [2,0,0,0,0,0|1,0,1]=4 11221 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [2,0,0,0,0,0|1,0,1]=4 11222 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [2,0,0,0,0,0|1,0,1]=4 11223 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [2,0,0,0,0,0|1,0,1]=4 11224 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [2,0,0,0,0,0|1,0,1]=4 11225 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [2,0,0,0,0,0|1,0,1]=4 11226 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [2,0,0,0,0,0|1,0,1]=4 11227 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [2,0,0,0,0,0|1,0,1]=4 11228 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [2,0,0,0,0,0|1,0,1]=4 11229 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [2,0,0,0,0,0|1,0,1]=4 11230 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [2,0,0,0,0,0|1,0,1]=4 11231 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [2,0,0,0,0,0|1,0,1]=4 11232 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [2,0,0,0,0,0|1,0,1]=4 11233 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [2,0,0,0,0,0|1,0,1]=4 11234 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [2,0,0,0,0,0|1,0,1]=4 11235 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [2,0,0,0,0,0|1,0,1]=4 11236 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [2,0,0,0,0,0|1,0,1]=4 11237 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [2,0,0,0,0,0|1,0,1]=4 11238 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [2,0,0,0,0,0|1,0,1]=4 11239 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [2,0,0,0,0,0|1,0,1]=4 11240 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [2,0,0,0,0,0|1,0,1]=4 11241 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [2,0,0,0,0,0|1,0,1]=4 11242 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [2,0,0,0,0,0|1,0,1]=4 11243 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [2,0,0,0,0,0|1,0,1]=4 11244 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [2,0,0,0,0,0|1,0,1]=4 11245 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [2,0,0,0,0,0|1,0,1]=4 11246 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [2,0,0,0,0,0|1,0,1]=4 11247 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [2,0,0,0,0,0|1,0,1]=4 11248 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [2,0,0,0,0,0|1,0,1]=4 11249 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [2,0,0,0,0,0|1,0,1]=4 11250 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [2,0,0,0,0,0|1,0,1]=4 11251 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [2,0,0,0,0,0|1,0,1]=4 11252 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [2,0,0,0,0,0|1,0,1]=4 11253 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [2,0,0,0,0,0|1,0,1]=4 11254 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [2,0,0,0,0,0|1,0,1]=4 11255 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [2,0,0,0,0,0|1,0,1]=4 11256 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [2,0,0,0,0,0|1,0,1]=4 11257 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [2,0,0,0,0,0|1,0,1]=4 11258 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [2,0,0,0,0,0|1,0,1]=4 11259 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [2,0,0,0,0,0|1,0,1]=4 11260 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [2,0,0,0,0,0|1,0,1]=4 11261 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [2,0,0,0,0,0|1,0,1]=4 11262 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [2,0,0,0,0,0|1,0,1]=4 11263 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [2,0,0,0,0,0|1,0,1]=4 11264 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [2,0,0,0,0,0|1,0,1]=4 11265 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [2,0,0,0,0,0|1,0,1]=4 11266 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [2,0,0,0,0,0|1,0,1]=4 11267 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [2,0,0,0,0,0|1,0,1]=4 11268 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [2,0,0,0,0,0|1,0,1]=4 11269 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [2,0,0,0,0,0|1,0,0]=3 11270 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [2,0,0,0,0,0|1,0,0]=3 11271 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [2,0,0,0,0,0|1,0,0]=3 11272 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [2,0,0,0,0,0|1,0,0]=3 11273 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [2,0,0,0,0,0|1,0,0]=3 11274 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [2,0,0,0,0,0|1,0,0]=3 11275 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [2,0,0,0,0,0|1,0,0]=3 11276 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [2,0,0,0,0,0|1,0,0]=3 11277 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [2,0,0,0,0,0|1,0,0]=3 11278 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [2,0,0,0,0,0|1,0,0]=3 11279 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [2,0,0,0,0,0|1,0,0]=3 11280 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [2,0,0,0,0,0|1,0,0]=3 11281 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [2,0,0,0,0,0|1,0,0]=3 11282 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [2,0,0,0,0,0|1,0,0]=3 11283 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [2,0,0,0,0,0|1,0,0]=3 11284 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [2,0,0,0,0,0|1,0,0]=3 11285 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [2,0,0,0,0,0|1,0,0]=3 11286 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [2,0,0,0,0,0|1,0,0]=3 11287 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [2,0,0,0,0,0|1,0,0]=3 11288 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [2,0,0,0,0,0|1,0,0]=3 11289 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [2,0,0,0,0,0|1,0,0]=3 11290 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [2,0,0,0,0,0|2,0,0]=4 11291 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [2,0,0,0,0,0|2,0,0]=4 11292 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [2,0,0,0,0,0|1,0,0]=3 11293 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [2,0,0,0,0,0|1,0,0]=3 11294 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [2,0,0,0,0,0|2,0,0]=4 11295 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [2,0,0,0,0,0|2,0,0]=4 11296 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [2,0,0,0,0,0|1,0,0]=3 11297 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [2,0,0,0,0,0|1,0,0]=3 11298 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [2,0,0,0,0,0|2,0,0]=4 11299 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [2,0,0,0,0,0|2,0,0]=4 11300 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [2,0,0,0,0,0|1,0,1]=4 11301 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [2,0,0,0,0,0|1,0,1]=4 11302 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [2,0,0,0,0,0|1,0,1]=4 11303 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [2,0,0,0,0,0|2,0,0]=4 11304 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [2,0,0,0,0,0|2,0,0]=4 11305 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [2,0,0,0,0,0|1,0,0]=3 11306 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [2,0,0,0,0,0|1,0,0]=3 11307 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [2,0,0,0,0,0|2,0,0]=4 11308 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [2,0,0,0,0,0|1,0,0]=3 11309 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [2,0,0,0,0,0|1,0,0]=3 11310 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [2,0,0,0,0,0|1,0,0]=3 11311 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [2,0,0,0,0,0|2,0,0]=4 11312 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [2,0,0,0,0,0|2,0,0]=4 11313 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [2,0,0,0,0,0|2,0,0]=4 11314 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [2,0,0,0,0,0|1,0,1]=4 11315 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [2,0,0,0,0,0|1,0,1]=4 11316 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [2,0,0,0,0,0|2,0,0]=4 11317 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [2,0,0,0,0,0|1,0,0]=3 11318 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [2,0,0,0,0,0|1,0,0]=3 11319 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [2,0,0,0,0,0|1,0,0]=3 11320 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [2,0,0,0,0,0|1,0,0]=3 11321 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [2,0,0,0,0,0|2,0,0]=4 11322 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [2,0,0,0,0,0|2,0,0]=4 11323 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [2,0,0,0,0,0|1,0,1]=4 11324 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [2,0,0,0,0,0|1,0,1]=4 11325 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [2,0,0,0,0,0|2,0,0]=4 11326 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [2,0,0,0,0,0|2,0,0]=4 11327 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [2,0,0,0,0,0|2,0,0]=4 11328 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [2,0,0,0,0,0|2,0,0]=4 11329 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [2,0,0,0,0,0|1,0,0]=3 11330 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [2,0,0,0,0,0|1,0,0]=3 11331 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [2,0,0,0,0,0|1,0,0]=3 11332 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [2,0,0,0,0,0|2,0,0]=4 11333 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [2,0,0,0,0,0|2,0,0]=4 11334 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [2,0,0,0,0,0|2,0,0]=4 11335 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [2,0,0,0,0,0|1,0,1]=4 11336 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [2,0,0,0,0,0|2,0,0]=4 11337 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [2,0,0,0,0,0|2,0,0]=4 11338 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [2,0,0,0,0,0|2,0,0]=4 11339 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [2,0,0,0,0,0|2,0,0]=4 11340 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [2,0,0,0,0,0|2,0,0]=4 11341 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [2,0,0,0,0,0|2,0,0]=4 11342 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [2,0,0,0,0,0|2,0,0]=4 11343 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [2,0,0,0,0,0|1,0,0]=3 11344 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [2,0,0,0,0,0|1,0,0]=3 11345 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [2,0,0,0,0,0|1,0,0]=3 11346 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [2,0,0,0,0,0|1,0,0]=3 11347 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [2,0,0,0,0,0|2,0,0]=4 11348 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [2,0,0,0,0,0|2,0,0]=4 11349 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [2,0,0,0,0,0|2,0,0]=4 11350 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [2,0,0,0,0,0|2,0,0]=4 11351 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [2,0,0,0,0,0|2,0,0]=4 11352 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [2,0,0,0,0,0|1,0,1]=4 11353 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [2,0,0,0,0,0|1,0,1]=4 11354 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [2,0,0,0,0,0|2,0,0]=4 11355 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [2,0,0,0,0,0|2,0,0]=4 11356 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [2,0,0,0,0,0|2,0,0]=4 11357 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [2,0,0,0,0,0|2,0,0]=4 11358 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [2,0,0,0,0,0|2,0,0]=4 11359 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [2,0,0,0,0,0|2,0,0]=4 11360 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [2,0,0,0,0,0|2,0,0]=4 11361 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [2,0,0,0,0,0|2,0,0]=4 11362 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [2,0,0,0,0,0|2,0,0]=4 11363 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [2,0,0,0,0,0|2,0,0]=4 11364 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [2,0,0,0,0,0|2,0,0]=4 11365 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [2,0,0,0,0,0|1,0,0]=3 11366 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [2,0,0,0,0,0|1,0,0]=3 11367 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [2,0,0,0,0,0|2,0,0]=4 11368 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [2,0,0,0,0,0|2,0,0]=4 11369 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [2,0,0,0,0,0|1,0,1]=4 11370 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [2,0,0,0,0,0|1,0,1]=4 11371 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [2,0,0,0,0,0|2,0,0]=4 11372 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [2,0,0,0,0,0|2,0,0]=4 11373 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [2,0,0,0,0,0|2,0,0]=4 11374 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [2,0,0,0,0,0|2,0,0]=4 11375 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [2,0,0,0,0,0|2,0,0]=4 11376 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [2,0,0,0,0,0|2,0,0]=4 11377 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [2,0,0,0,0,0|1,0,0]=3 11378 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [2,0,0,0,0,0|1,0,0]=3 11379 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [2,0,0,0,0,0|2,0,0]=4 11380 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [2,0,0,0,0,0|2,0,0]=4 11381 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [2,0,0,0,0,0|1,0,1]=4 11382 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [2,0,0,0,0,0|1,0,1]=4 11383 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [2,0,0,0,0,0|1,0,1]=4 11384 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [2,0,0,0,0,0|1,0,1]=4 11385 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [2,0,0,0,0,0|2,0,0]=4 11386 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [2,0,0,0,0,0|2,0,0]=4 11387 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [2,0,0,0,0,0|2,0,0]=4 11388 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [2,0,0,0,0,0|2,0,0]=4 11389 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [2,0,0,0,0,0|2,0,0]=4 11390 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [2,0,0,0,0,0|2,0,0]=4 11391 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [2,0,0,0,0,0|2,0,0]=4 11392 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [2,0,0,0,0,0|2,0,0]=4 11393 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [2,0,0,0,0,0|2,0,0]=4 11394 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [2,0,0,0,0,0|2,0,0]=4 11395 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [2,0,0,0,0,0|2,0,0]=4 11396 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [2,0,0,0,0,0|1,0,0]=3 11397 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [2,0,0,0,0,0|2,0,0]=4 11398 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [2,0,0,0,0,0|2,0,0]=4 11399 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [2,0,0,0,0,0|2,0,0]=4 11400 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [2,0,0,0,0,0|2,0,0]=4 11401 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [2,0,0,0,0,0|2,0,0]=4 11402 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [2,0,0,0,0,0|2,0,0]=4 11403 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [2,0,0,0,0,0|2,0,0]=4 11404 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [2,0,0,0,0,0|2,0,0]=4 11405 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [2,0,0,0,0,0|2,0,0]=4 11406 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [2,0,0,0,0,0|1,0,1]=4 11407 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [2,0,0,0,0,0|1,0,1]=4 11408 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [2,0,0,0,0,0|2,0,0]=4 11409 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [2,0,0,0,0,0|2,0,0]=4 11410 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [2,0,0,0,0,0|2,0,0]=4 11411 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [2,0,0,0,0,0|2,0,0]=4 11412 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [2,0,0,0,0,0|2,0,0]=4 11413 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [2,0,0,0,0,0|2,0,0]=4 11414 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [2,0,0,0,0,0|2,0,0]=4 11415 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [2,0,0,0,0,0|2,0,0]=4 11416 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [2,0,0,0,0,0|2,0,0]=4 11417 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [2,0,0,0,0,0|2,0,0]=4 11418 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [2,0,0,0,0,0|2,0,0]=4 11419 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [2,0,0,0,0,0|2,0,0]=4 11420 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [2,0,0,0,0,0|2,0,0]=4 11421 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [2,0,0,0,0,0|2,0,0]=4 11422 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [2,0,0,0,0,0|2,0,0]=4 11423 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [2,0,0,0,0,0|2,0,0]=4 11424 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [2,0,0,0,0,0|2,0,0]=4 11425 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [2,0,0,0,0,0|2,0,0]=4 11426 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [2,0,0,0,0,0|2,0,0]=4 11427 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [2,0,0,0,0,0|2,0,0]=4 11428 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [2,0,0,0,0,0|2,0,0]=4 11429 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [2,0,0,0,0,0|2,0,0]=4 11430 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [2,0,0,0,0,0|2,0,0]=4 11431 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [2,0,0,0,0,0|2,0,0]=4 11432 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [2,0,0,0,0,0|2,0,0]=4 11433 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [2,0,0,0,0,0|2,0,0]=4 11434 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [2,0,0,0,0,0|2,0,0]=4 11435 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [2,0,0,0,0,0|2,0,0]=4 11436 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [2,0,0,0,0,0|2,0,0]=4 11437 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [2,0,0,0,0,0|2,0,0]=4 11438 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [2,0,0,0,0,0|2,0,0]=4 11439 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [2,0,0,0,0,0|2,0,0]=4 11440 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [2,0,0,0,0,0|2,0,0]=4 11441 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [2,0,0,0,0,0|1,0,0]=3 11442 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [2,0,0,0,0,0|1,0,0]=3 11443 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [2,0,0,0,0,0|2,0,0]=4 11444 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [2,0,0,0,0,0|2,0,0]=4 11445 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [2,0,0,0,0,0|1,0,1]=4 11446 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [2,0,0,0,0,0|1,0,1]=4 11447 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [2,0,0,0,0,0|2,0,0]=4 11448 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [2,0,0,0,0,0|2,0,0]=4 11449 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [2,0,0,0,0,0|2,0,0]=4 11450 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [2,0,0,0,0,0|2,0,0]=4 11451 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [2,0,0,0,0,0|2,0,0]=4 11452 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [2,0,0,0,0,0|2,0,0]=4 11453 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [2,0,0,0,0,0|2,0,0]=4 11454 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [2,0,0,0,0,0|2,0,0]=4 11455 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [2,0,0,0,0,0|2,0,0]=4 11456 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [2,0,0,0,0,0|1,0,1]=4 11457 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [2,0,0,0,0,0|1,0,1]=4 11458 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [2,0,0,0,0,0|2,0,0]=4 11459 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [2,0,0,0,0,0|2,0,0]=4 11460 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [2,0,0,0,0,0|2,0,0]=4 11461 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [2,0,0,0,0,0|2,0,0]=4 11462 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [2,0,0,0,0,0|2,0,0]=4 11463 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [2,0,0,0,0,0|2,0,0]=4 11464 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [2,0,0,0,0,0|2,0,0]=4 11465 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [2,0,0,0,0,0|2,0,0]=4 11466 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [2,0,0,0,0,0|2,0,0]=4 11467 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [2,0,0,0,0,0|2,0,0]=4 11468 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [2,0,0,0,0,0|2,0,0]=4 11469 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [2,0,0,0,0,0|2,0,0]=4 11470 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [2,0,0,0,0,0|2,0,0]=4 11471 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [2,0,0,0,0,0|1,0,1]=4 11472 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [2,0,0,0,0,0|2,0,0]=4 11473 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [2,0,0,0,0,0|2,0,0]=4 11474 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [2,0,0,0,0,0|2,0,0]=4 11475 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [2,0,0,0,0,0|2,0,0]=4 11476 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [2,0,0,0,0,0|2,0,0]=4 11477 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [2,0,0,0,0,0|2,0,0]=4 11478 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [2,0,0,0,0,0|2,0,0]=4 11479 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [2,0,0,0,0,0|2,0,0]=4 11480 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [2,0,0,0,0,0|2,0,0]=4 11481 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [2,0,0,0,0,0|2,0,0]=4 11482 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [2,0,0,0,0,0|2,0,0]=4 11483 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [2,0,0,0,0,0|2,0,0]=4 11484 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [2,0,0,0,0,0|2,0,0]=4 11485 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [2,0,0,0,0,0|2,0,0]=4 11486 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [2,0,0,0,0,0|2,0,0]=4 11487 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [2,0,0,0,0,0|2,0,0]=4 11488 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [2,0,0,0,0,0|2,0,0]=4 11489 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [2,0,0,0,0,0|2,0,0]=4 11490 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [2,0,0,0,0,0|2,0,0]=4 11491 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [2,0,0,0,0,0|2,0,0]=4 11492 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [2,0,0,0,0,0|2,0,0]=4 11493 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [2,0,0,0,0,0|2,0,0]=4 11494 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [2,0,0,0,0,0|2,0,0]=4 11495 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [2,0,0,0,0,0|2,0,0]=4 11496 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [2,0,0,0,0,0|1,0,0]=3 11497 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [2,0,0,0,0,0|1,0,0]=3 11498 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [2,0,0,0,0,0|2,0,0]=4 11499 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [2,0,0,0,0,0|2,0,0]=4 11500 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [2,0,0,0,0,0|1,0,1]=4 11501 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [2,0,0,0,0,0|1,0,1]=4 11502 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [2,0,0,0,0,0|2,0,0]=4 11503 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [2,0,0,0,0,0|2,0,0]=4 11504 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [2,0,0,0,0,0|2,0,0]=4 11505 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [2,0,0,0,0,0|2,0,0]=4 11506 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [2,0,0,0,0,0|2,0,0]=4 11507 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [2,0,0,0,0,0|2,0,0]=4 11508 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [2,0,0,0,0,0|2,0,0]=4 11509 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [2,0,0,0,0,0|1,0,0]=3 11510 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [2,0,0,0,0,0|2,0,0]=4 11511 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [2,0,0,0,0,0|1,0,1]=4 11512 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [2,0,0,0,0,0|1,0,1]=4 11513 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [2,0,0,0,0,0|1,0,1]=4 11514 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [2,0,0,0,0,0|2,0,0]=4 11515 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [2,0,0,0,0,0|2,0,0]=4 11516 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [2,0,0,0,0,0|2,0,0]=4 11517 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [2,0,0,0,0,0|2,0,0]=4 11518 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [2,0,0,0,0,0|2,0,0]=4 11519 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [2,0,0,0,0,0|2,0,0]=4 11520 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [2,0,0,0,0,0|2,0,0]=4 11521 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [2,0,0,0,0,0|2,0,0]=4 11522 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [2,0,0,0,0,0|2,0,0]=4 11523 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [2,0,0,0,0,0|2,0,0]=4 11524 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [2,0,0,0,0,0|1,0,1]=4 11525 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [2,0,0,0,0,0|2,0,0]=4 11526 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [2,0,0,0,0,0|2,0,0]=4 11527 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [2,0,0,0,0,0|2,0,0]=4 11528 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [2,0,0,0,0,0|2,0,0]=4 11529 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [2,0,0,0,0,0|2,0,0]=4 11530 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [2,0,0,0,0,0|2,0,0]=4 11531 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [2,0,0,0,0,0|2,0,0]=4 11532 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [2,0,0,0,0,0|2,0,0]=4 11533 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [2,0,0,0,0,0|2,0,0]=4 11534 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [2,0,0,0,0,0|1,0,0]=3 11535 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [2,0,0,0,0,0|1,0,0]=3 11536 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [2,0,0,0,0,0|2,0,0]=4 11537 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [2,0,0,0,0,0|2,0,0]=4 11538 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [2,0,0,0,0,0|1,0,1]=4 11539 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [2,0,0,0,0,0|1,0,1]=4 11540 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [2,0,0,0,0,0|2,0,0]=4 11541 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [2,0,0,0,0,0|2,0,0]=4 11542 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [2,0,0,0,0,0|1,0,1]=4 11543 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [2,0,0,0,0,0|1,0,1]=4 11544 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [2,0,0,0,0,0|1,0,1]=4 11545 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [2,0,0,0,0,0|1,0,1]=4 11546 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [2,0,0,0,0,0|1,0,1]=4 11547 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [2,0,0,0,0,0|2,0,0]=4 11548 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [2,0,0,0,0,0|2,0,0]=4 11549 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [2,0,0,0,0,0|2,0,0]=4 11550 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [2,0,0,0,0,0|2,0,0]=4 11551 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [2,0,0,0,0,0|2,0,0]=4 11552 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [2,0,0,0,0,0|2,0,0]=4 11553 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [2,0,0,0,0,0|1,0,1]=4 11554 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [2,0,0,0,0,0|2,0,0]=4 11555 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [2,0,0,0,0,0|2,0,0]=4 11556 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [2,0,0,0,0,0|2,0,0]=4 11557 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [2,0,0,0,0,0|2,0,0]=4 11558 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [2,0,0,0,0,0|2,0,0]=4 11559 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [2,0,0,0,0,0|2,0,0]=4 11560 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [2,0,0,0,0,0|2,0,0]=4 11561 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [2,0,0,0,0,0|2,0,0]=4 11562 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [2,0,0,0,0,0|2,0,0]=4 11563 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [2,0,0,0,0,0|2,0,0]=4 11564 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [2,0,0,0,0,0|2,0,0]=4 11565 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [2,0,0,0,0,0|2,0,0]=4 11566 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [2,0,0,0,0,0|2,0,0]=4 11567 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [2,0,0,0,0,0|2,0,0]=4 11568 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [2,0,0,0,0,0|2,0,0]=4 11569 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [2,0,0,0,0,0|2,0,0]=4 11570 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [2,0,0,0,0,0|2,0,0]=4 11571 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [2,0,0,0,0,0|1,0,1]=4 11572 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [2,0,0,0,0,0|1,0,1]=4 11573 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [2,0,0,0,0,0|2,0,0]=4 11574 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [2,0,0,0,0,0|2,0,0]=4 11575 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [2,0,0,0,0,0|2,0,0]=4 11576 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [2,0,0,0,0,0|2,0,0]=4 11577 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [2,0,0,0,0,0|2,0,0]=4 11578 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [2,0,0,0,0,0|2,0,0]=4 11579 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [2,0,0,0,0,0|2,0,0]=4 11580 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [2,0,0,0,0,0|2,0,0]=4 11581 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [2,0,0,0,0,0|2,0,0]=4 11582 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [2,0,0,0,0,0|2,0,0]=4 11583 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [2,0,0,0,0,0|2,0,0]=4 11584 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [2,0,0,0,0,0|2,0,0]=4 11585 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [2,0,0,0,0,0|2,0,0]=4 11586 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [2,0,0,0,0,0|2,0,0]=4 11587 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [2,0,0,0,0,0|2,0,0]=4 11588 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [2,0,0,0,0,0|2,0,0]=4 11589 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [2,0,0,0,0,0|2,0,0]=4 11590 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [2,0,0,0,0,0|2,0,0]=4 11591 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [2,0,0,0,0,0|2,0,0]=4 11592 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [2,0,0,0,0,0|2,0,0]=4 11593 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [2,0,0,0,0,0|2,0,0]=4 11594 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [2,0,0,0,0,0|2,0,0]=4 11595 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [2,0,0,0,0,0|2,0,0]=4 11596 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [2,0,0,0,0,0|2,0,0]=4 11597 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [2,0,0,0,0,0|2,0,0]=4 11598 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [2,0,0,0,0,0|2,0,0]=4 11599 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [2,0,0,0,0,0|2,0,0]=4 11600 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [2,0,0,0,0,0|2,0,0]=4 11601 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [2,0,0,0,0,0|2,0,0]=4 11602 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [2,0,0,0,0,0|2,0,0]=4 11603 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [2,0,0,0,0,0|2,0,0]=4 11604 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [2,0,0,0,0,0|2,0,0]=4 11605 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [2,0,0,0,0,0|2,0,0]=4 11606 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [2,0,0,0,0,0|1,0,1]=4 11607 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [2,0,0,0,0,0|1,0,1]=4 11608 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [2,0,0,0,0,0|2,0,0]=4 11609 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [2,0,0,0,0,0|2,0,0]=4 11610 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [2,0,0,0,0,0|2,0,0]=4 11611 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [2,0,0,0,0,0|1,0,1]=4 11612 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [2,0,0,0,0,0|1,0,1]=4 11613 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [1,1,0,0,0,0|0,0,2]=4 11614 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [1,1,0,0,0,0|0,0,2]=4 11615 B11R0.4 C=CCC(C)COCCCCC 34a_100009832082_100000718602 [1,1,0,0,0,0|1,0,1]=4 11616 B11R0.4 C=CCC(C)COCCCCC 7a_100009832082_100000210326 [1,1,0,0,0,0|1,0,1]=4 11617 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [1,1,0,0,0,0|0,0,2]=4 11618 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [1,1,0,0,0,0|0,0,2]=4 11619 B11R0.4 C=CCCCCCN(C)CCC 2230a_100000747261_100000700193 [1,1,0,0,0,0|1,0,1]=4 11620 B11R0.4 C=CCCCCCN(C)CCC 269982a_100000747261_100000700193 [1,1,0,0,0,0|1,0,1]=4 11621 B11R0.4 C=CCCCCNC(C)CCC 2230a_100000703577_100000766640 [1,1,0,0,0,0|1,0,1]=4 11622 B11R0.4 C=CCCCCNC(C)CCC 2230a_100000741246_100011215482 [1,1,0,0,0,0|1,0,1]=4 11623 B11R0.4 C=CCCCCNC(C)CCC 270004a_100000703577_100000211909 [1,1,0,0,0,0|1,0,1]=4 11624 B11R0.4 C=CCCCCNC(C)CCC 34a_100000703577_100000766640 [1,1,0,0,0,0|1,0,1]=4 11625 B11R0.4 C=CCCCCOC(C)CCC 34a_100000764384_100011215482 [1,1,0,0,0,0|1,0,1]=4 11626 B11R0.4 C=CCCCCOC(C)CCC 34a_100000766645_100000766640 [1,1,0,0,0,0|1,0,1]=4 11627 B11R0.4 C=CCCCCOC(C)CCC 7a_100000764384_100011215482 [1,1,0,0,0,0|1,0,1]=4 11628 B11R0.4 C=CCCCCOC(C)CCC 7a_100000766645_100000766640 [1,1,0,0,0,0|1,0,1]=4 11629 B11R0.4 C=CCCCCSC(C)CCC 62a_100000766640_100011215482 [1,1,0,0,0,0|1,0,1]=4 11630 B11R0.4 C=CCCCCSC(C)CCC 62a_100011215482_100000766640 [1,1,0,0,0,0|1,0,1]=4 11631 B11R0.4 C=CCCCNCC(C)CCC 2230a_100000700776_100011216630 [1,1,0,0,0,0|1,0,1]=4 11632 B11R0.4 C=CCCCNCC(C)CCC 270004a_100000700776_100000243154 [1,1,0,0,0,0|1,0,1]=4 11633 B11R0.4 C=CCCCNCC(C)CCC 34a_100000700776_100011216630 [1,1,0,0,0,0|1,0,1]=4 11634 B11R0.4 C=CCCCOCC(C)CCC 34a_100000688023_100000757094 [1,1,0,0,0,0|1,0,1]=4 11635 B11R0.4 C=CCCCOCC(C)CCC 34a_100000758997_100011216630 [1,1,0,0,0,0|1,0,1]=4 11636 B11R0.4 C=CCCCOCC(C)CCC 7a_100000688023_100000757094 [1,1,0,0,0,0|1,0,1]=4 11637 B11R0.4 C=CCCCOCC(C)CCC 7a_100000758997_100011216630 [1,1,0,0,0,0|1,0,1]=4 11638 B11R0.4 C=CCCCOC[C@@H](N)CCC 34a_100000732646_100000757094 [1,1,0,0,0,0|1,0,1]=4 11639 B11R0.4 C=CCCCSCC(C)CCC 62a_100011216630_100000757094 [1,1,0,0,0,0|1,0,1]=4 11640 B11R0.4 C=CCCCSCC(C)CCC 62a_100011713584_100011216630 [1,1,0,0,0,0|1,0,1]=4 11641 B11R0.4 C=CCCOCCC(C)CCC 34a_100011217855_100000754431 [1,1,0,0,0,0|1,0,1]=4 11642 B11R0.4 C=CCCOCCC(C)CCC 7a_100011217855_100000754431 [1,1,0,0,0,0|1,0,1]=4 11643 B11R0.4 C=CCCOCC[C@@H](N)CCC 34a_100015193777_100000754431 [1,1,0,0,0,0|1,0,1]=4 11644 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000225617_100000210681 [1,1,0,0,0,0|1,0,1]=4 11645 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000228206_100000210623 [1,1,0,0,0,0|1,0,1]=4 11646 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000225617_100000210681 [1,1,0,0,0,0|1,0,1]=4 11647 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000228206_100000210623 [1,1,0,0,0,0|1,0,1]=4 11648 B11R0.4 C=CCOCCCC(C)CCC 34a_100011713154_100015514636 [1,1,0,0,0,0|1,0,1]=4 11649 B11R0.4 C=CCOCCCC(C)CCC 7a_100011713154_100015514636 [1,1,0,0,0,0|1,0,1]=4 11650 B11R0.4 C=CC[C@@H](C)OCCCCCC 34a_100000731007_100000210314 [1,1,0,0,0,0|1,0,1]=4 11651 B11R0.4 C=CC[C@@H](C)OCCCCCC 7a_100000731007_100000210314 [1,1,0,0,0,0|1,0,1]=4 11652 B11R0.4 C=CC[C@@H](N)COCCCCC 34a_100020615467_100000718602 [1,1,0,0,0,0|1,0,1]=4 11653 B11R0.4 CC(CCO)SCCCCC=O 62a_100000139335_100009893172 [1,1,0,0,0,0|2,0,0]=4 11654 B11R0.4 CC(CCO)SCCCCC=O 62a_100009893172_100000139335 [1,1,0,0,0,0|2,0,0]=4 11655 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [1,1,0,0,0,0|1,0,1]=4 11656 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [1,1,0,0,0,0|0,0,2]=4 11657 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [1,1,0,0,0,0|0,0,2]=4 11658 B11R0.4 CCCC(=O)CSCCCC=O 62a_100000747444_200011292268 [1,1,0,0,0,0|1,0,1]=4 11659 B11R0.4 CCCC(=O)CSCCCC=O 62a_200011292268_100000747444 [1,1,0,0,0,0|1,0,1]=4 11660 B11R0.4 CCCC(C)CCCOCC=O 34a_100011713154_200009817547 [1,1,0,0,0,0|1,0,0]=3 11661 B11R0.4 CCCC(C)CCCOCC=O 7a_100011713154_200015260668 [1,1,0,0,0,0|1,0,0]=3 11662 B11R0.4 CCCC(C)CCCOCCF 34a_100011713154_100011217306 [1,1,0,0,0,0|2,0,0]=4 11663 B11R0.4 CCCC(C)CCCOCCF 7a_100011713154_100011217306 [1,1,0,0,0,0|2,0,0]=4 11664 B11R0.4 CCCC(C)CCCOCCO 34a_100011713154_100000211926 [1,1,0,0,0,0|1,0,1]=4 11665 B11R0.4 CCCC(C)CCCOCCO 7a_100011713154_100000211926 [1,1,0,0,0,0|1,0,1]=4 11666 B11R0.4 CCCC(C)CCOCCCF 34a_100011217855_100011934791 [1,1,0,0,0,0|2,0,0]=4 11667 B11R0.4 CCCC(C)CCOCCCF 7a_100011217855_100011934791 [1,1,0,0,0,0|2,0,0]=4 11668 B11R0.4 CCCC(C)CCOCCCO 34a_100011217855_100000230001 [1,1,0,0,0,0|1,0,1]=4 11669 B11R0.4 CCCC(C)CCOCCCO 7a_100011217855_100011215043 [1,1,0,0,0,0|1,0,1]=4 11670 B11R0.4 CCCC(C)CNCCCCO 2230a_100000750430_100011216630 [1,1,0,0,0,0|1,0,1]=4 11671 B11R0.4 CCCC(C)CNCCCCO 270004a_100000750430_100000243154 [1,1,0,0,0,0|1,0,1]=4 11672 B11R0.4 CCCC(C)CNCCCCO 34a_100000750430_100011216630 [1,1,0,0,0,0|1,0,1]=4 11673 B11R0.4 CCCC(C)COCCCC=O 7a_100000688023_200011292268 [1,1,0,0,0,0|1,0,0]=3 11674 B11R0.4 CCCC(C)COCCCCBr 34a_100011216708_100011216630 [1,1,0,0,0,0|2,0,0]=4 11675 B11R0.4 CCCC(C)COCCCCCl 34a_100000210776_100011216630 [1,1,0,0,0,0|2,0,0]=4 11676 B11R0.4 CCCC(C)COCCCCCl 7a_100000210776_100011216630 [1,1,0,0,0,0|2,0,0]=4 11677 B11R0.4 CCCC(C)COCCCCF 34a_100000688023_100000729493 [1,1,0,0,0,0|2,0,0]=4 11678 B11R0.4 CCCC(C)COCCCCF 34a_100011995726_100011216630 [1,1,0,0,0,0|2,0,0]=4 11679 B11R0.4 CCCC(C)COCCCCF 7a_100000688023_100000729493 [1,1,0,0,0,0|2,0,0]=4 11680 B11R0.4 CCCC(C)COCCCCF 7a_100011995726_100011216630 [1,1,0,0,0,0|2,0,0]=4 11681 B11R0.4 CCCC(C)COCCCCI 34a_200012148704_100011216630 [1,1,0,0,0,0|2,0,0]=4 11682 B11R0.4 CCCC(C)COCCCCN 34a_100000750430_100011216630 [1,1,0,0,0,0|2,0,0]=4 11683 B11R0.4 CCCC(C)COCCCCO 34a_100000688023_100011216708 [1,1,0,0,0,0|1,0,1]=4 11684 B11R0.4 CCCC(C)COCCCCO 7a_100000688023_100000210776 [1,1,0,0,0,0|1,0,1]=4 11685 B11R0.4 CCCC(C)CSCCCC=O 62a_100011216630_200011292268 [1,1,0,0,0,0|1,0,0]=3 11686 B11R0.4 CCCC(C)CSCCCC=O 62a_200011292268_100011216630 [1,1,0,0,0,0|1,0,0]=3 11687 B11R0.4 CCCC(C)CSCCCCF 62a_100000729493_100011216630 [1,1,0,0,0,0|2,0,0]=4 11688 B11R0.4 CCCC(C)CSCCCCF 62a_100011216630_100000729493 [1,1,0,0,0,0|2,0,0]=4 11689 B11R0.4 CCCC(C)CSCCCCO 62a_100000210776_100011216630 [1,1,0,0,0,0|1,0,1]=4 11690 B11R0.4 CCCC(C)CSCCCCO 62a_100011216630_100000210776 [1,1,0,0,0,0|1,0,1]=4 11691 B11R0.4 CCCC(C)NCCCCC=O 2230a_100000741246_100000139335 [1,1,0,0,0,0|1,0,0]=3 11692 B11R0.4 CCCC(C)NCCCCCF 2230a_100000741246_100000729378 [1,1,0,0,0,0|2,0,0]=4 11693 B11R0.4 CCCC(C)NCCCCCO 2230a_100000741246_100000746330 [1,1,0,0,0,0|1,0,1]=4 11694 B11R0.4 CCCC(C)NCCCCCO 2230a_100000762737_100000766640 [1,1,0,0,0,0|1,0,1]=4 11695 B11R0.4 CCCC(C)NCCCCCO 270004a_100000762737_100000211909 [1,1,0,0,0,0|1,0,1]=4 11696 B11R0.4 CCCC(C)NCCCCCO 34a_100000762737_100000766640 [1,1,0,0,0,0|1,0,1]=4 11697 B11R0.4 CCCC(C)OCCCCC=O 7a_100000764384_100000139335 [1,1,0,0,0,0|1,0,0]=3 11698 B11R0.4 CCCC(C)OCCCCCBr 34a_100000746331_100000766640 [1,1,0,0,0,0|2,0,0]=4 11699 B11R0.4 CCCC(C)OCCCCCBr 7a_100000746331_100000766640 [1,1,0,0,0,0|2,0,0]=4 11700 B11R0.4 CCCC(C)OCCCCCCl 34a_100000746330_100000766640 [1,1,0,0,0,0|2,0,0]=4 11701 B11R0.4 CCCC(C)OCCCCCCl 7a_100000746330_100000766640 [1,1,0,0,0,0|2,0,0]=4 11702 B11R0.4 CCCC(C)OCCCCCF 34a_100000764384_100000729378 [1,1,0,0,0,0|2,0,0]=4 11703 B11R0.4 CCCC(C)OCCCCCF 7a_100000764384_100000729378 [1,1,0,0,0,0|2,0,0]=4 11704 B11R0.4 CCCC(C)OCCCCCI 34a_200012148887_100000766640 [1,1,0,0,0,0|2,0,0]=4 11705 B11R0.4 CCCC(C)OCCCCCI 7a_200012148887_100000766640 [1,1,0,0,0,0|2,0,0]=4 11706 B11R0.4 CCCC(C)OCCCCCN 34a_100000762737_100000766640 [1,1,0,0,0,0|2,0,0]=4 11707 B11R0.4 CCCC(C)OCCCCCO 34a_100000764384_100000746330 [1,1,0,0,0,0|1,0,1]=4 11708 B11R0.4 CCCC(C)OCCCCCO 7a_100000764384_100000746330 [1,1,0,0,0,0|1,0,1]=4 11709 B11R0.4 CCCC(C)SCCCCC=O 62a_100000139335_100000766640 [1,1,0,0,0,0|1,0,0]=3 11710 B11R0.4 CCCC(C)SCCCCC=O 62a_100000766640_100000139335 [1,1,0,0,0,0|1,0,0]=3 11711 B11R0.4 CCCC(C)SCCCCCF 62a_100000729378_100000766640 [1,1,0,0,0,0|2,0,0]=4 11712 B11R0.4 CCCC(C)SCCCCCF 62a_100000766640_100000729378 [1,1,0,0,0,0|2,0,0]=4 11713 B11R0.4 CCCC(C)SCCCCCO 62a_100000746330_100000766640 [1,1,0,0,0,0|1,0,1]=4 11714 B11R0.4 CCCC(C)SCCCCCO 62a_100000766640_100000746330 [1,1,0,0,0,0|1,0,1]=4 11715 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [1,1,0,0,0,0|0,0,2]=4 11716 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [1,1,0,0,0,0|0,0,2]=4 11717 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [1,1,0,0,0,0|1,0,1]=4 11718 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [1,1,0,0,0,0|0,0,2]=4 11719 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [1,1,0,0,0,0|0,0,2]=4 11720 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [1,1,0,0,0,0|1,0,1]=4 11721 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [1,1,0,0,0,0|1,0,1]=4 11722 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [1,1,0,0,0,0|1,0,1]=4 11723 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [1,1,0,0,0,0|1,0,1]=4 11724 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [1,1,0,0,0,0|1,0,1]=4 11725 B11R0.4 CCCCCCCC(C)OCF 34a_200011215852_100015361967 [1,1,0,0,0,0|2,0,0]=4 11726 B11R0.4 CCCCCCCC(C)OCF 7a_200011215852_100015361967 [1,1,0,0,0,0|2,0,0]=4 11727 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [1,1,0,0,0,0|1,0,1]=4 11728 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [1,1,0,0,0,0|1,0,1]=4 11729 B11R0.4 CCCCCCCC(C)SCF 62a_100015361967_200011218727 [1,1,0,0,0,0|2,0,0]=4 11730 B11R0.4 CCCCCCCC(C)SCF 62a_200011218727_100015361967 [1,1,0,0,0,0|2,0,0]=4 11731 B11R0.4 CCCCCCCN(C)CC=O 2230a_100000228206_200015260668 [1,1,0,0,0,0|1,0,0]=3 11732 B11R0.4 CCCCCCCN(C)CC=O 269982a_100000228206_200015260668 [1,1,0,0,0,0|1,0,0]=3 11733 B11R0.4 CCCCCCCN(C)CCC 2230a_100000228206_100000210303 [1,1,0,0,0,0|1,0,1]=4 11734 B11R0.4 CCCCCCCN(C)CCC 2230a_100000747261_100000210681 [1,1,0,0,0,0|1,0,1]=4 11735 B11R0.4 CCCCCCCN(C)CCC 269982a_100000228206_100000210303 [1,1,0,0,0,0|1,0,1]=4 11736 B11R0.4 CCCCCCCN(C)CCC 269982a_100000747261_100000210681 [1,1,0,0,0,0|1,0,1]=4 11737 B11R0.4 CCCCCCCN(C)CCF 2230a_100000228206_100011217306 [1,1,0,0,0,0|2,0,0]=4 11738 B11R0.4 CCCCCCCN(C)CCF 269982a_100000228206_100011217306 [1,1,0,0,0,0|2,0,0]=4 11739 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [1,1,0,0,0,0|1,0,1]=4 11740 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [1,1,0,0,0,0|1,0,1]=4 11741 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [1,1,0,0,0,0|1,0,1]=4 11742 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [1,1,0,0,0,0|1,0,1]=4 11743 B11R0.4 CCCCCCNC(C)CCC 2230a_100000210581_100000766640 [1,1,0,0,0,0|1,0,1]=4 11744 B11R0.4 CCCCCCNC(C)CCC 2230a_100000741246_100000210314 [1,1,0,0,0,0|1,0,1]=4 11745 B11R0.4 CCCCCCNC(C)CCC 270004a_100000210581_100000211909 [1,1,0,0,0,0|1,0,1]=4 11746 B11R0.4 CCCCCCNC(C)CCO 2230a_100000210581_100009893172 [1,1,0,0,0,0|1,0,1]=4 11747 B11R0.4 CCCCCCN[C@H](C)CCO 2230a_100000706166_100000210314 [1,1,0,0,0,0|1,0,1]=4 11748 B11R0.4 CCCCCCN[C@H](C)CCO 34a_100000706166_100000210314 [1,1,0,0,0,0|1,0,1]=4 11749 B11R0.4 CCCCCCOC(C)CCBr 34a_100012276601_100000210314 [1,1,0,0,0,0|2,0,0]=4 11750 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [1,1,0,0,0,0|1,0,1]=4 11751 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [1,1,0,0,0,0|1,0,1]=4 11752 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [1,1,0,0,0,0|1,0,1]=4 11753 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [1,1,0,0,0,0|1,0,1]=4 11754 B11R0.4 CCCCCCOC(C)CCO 34a_100000210259_100009893172 [1,1,0,0,0,0|1,0,1]=4 11755 B11R0.4 CCCCCCOC(C)CCO 7a_100000210259_100009893172 [1,1,0,0,0,0|1,0,1]=4 11756 B11R0.4 CCCCCCSC(C)CCC 62a_100000210314_100000766640 [1,1,0,0,0,0|1,0,1]=4 11757 B11R0.4 CCCCCCSC(C)CCC 62a_100000766640_100000210757 [1,1,0,0,0,0|1,0,1]=4 11758 B11R0.4 CCCCCCSC(C)CCO 62a_100000210314_100009893172 [1,1,0,0,0,0|1,0,1]=4 11759 B11R0.4 CCCCCCSC(C)CCO 62a_100009893172_100000210757 [1,1,0,0,0,0|1,0,1]=4 11760 B11R0.4 CCCCCNCC(C)CCC 2230a_100000209983_100011216630 [1,1,0,0,0,0|1,0,1]=4 11761 B11R0.4 CCCCCNCC(C)CCC 270004a_100000209983_100000243154 [1,1,0,0,0,0|1,0,1]=4 11762 B11R0.4 CCCCCOCC(C)CCC 34a_100000210253_100011216630 [1,1,0,0,0,0|1,0,1]=4 11763 B11R0.4 CCCCCOCC(C)CCC 34a_100000688023_100000718602 [1,1,0,0,0,0|1,0,1]=4 11764 B11R0.4 CCCCCOCC(C)CCC 7a_100000210253_100011216630 [1,1,0,0,0,0|1,0,1]=4 11765 B11R0.4 CCCCCOCC(C)CCC 7a_100000688023_100000210326 [1,1,0,0,0,0|1,0,1]=4 11766 B11R0.4 CCCCCOCC(C)CCN 34a_106354213184_100000718602 [1,1,0,0,0,0|2,0,0]=4 11767 B11R0.4 CCCCCOC[C@@H](N)CCC 34a_100000732646_100000718602 [1,1,0,0,0,0|1,0,1]=4 11768 B11R0.4 CCCCCSCC(C)CCC 62a_100000210326_100011216630 [1,1,0,0,0,0|1,0,1]=4 11769 B11R0.4 CCCCCSCC(C)CCC 62a_100011216630_100000210326 [1,1,0,0,0,0|1,0,1]=4 11770 B11R0.4 CCCCOCCC(C)CCC 34a_100011217855_100000210210 [1,1,0,0,0,0|1,0,1]=4 11771 B11R0.4 CCCCOCCC(C)CCC 7a_100011217855_100000210211 [1,1,0,0,0,0|1,0,1]=4 11772 B11R0.4 CCCCOCC[C@@H](N)CCC 34a_100015193777_100000210210 [1,1,0,0,0,0|1,0,1]=4 11773 B11R0.4 CCCN(C)CCCCCC=O 2230a_100000747261_100000139337 [1,1,0,0,0,0|1,0,0]=3 11774 B11R0.4 CCCN(C)CCCCCC=O 269982a_100000747261_100000139337 [1,1,0,0,0,0|1,0,0]=3 11775 B11R0.4 CCCN(C)CCCCCCF 2230a_100000747261_100015922095 [1,1,0,0,0,0|2,0,0]=4 11776 B11R0.4 CCCN(C)CCCCCCF 269982a_100000747261_100015922095 [1,1,0,0,0,0|2,0,0]=4 11777 B11R0.4 CCCN(C)CCCCCCO 2230a_100000747261_100000766143 [1,1,0,0,0,0|1,0,1]=4 11778 B11R0.4 CCCN(C)CCCCCCO 269982a_100000747261_100000766143 [1,1,0,0,0,0|1,0,1]=4 11779 B11R0.4 CCCOCCCC(C)CCC 34a_100011713154_100000210303 [1,1,0,0,0,0|1,0,1]=4 11780 B11R0.4 CCCOCCCC(C)CCC 7a_100011713154_100000210303 [1,1,0,0,0,0|1,0,1]=4 11781 B11R0.4 CCC[C@H](N)CCOCCCF 34a_100015193777_100011934791 [1,1,0,0,0,0|2,0,0]=4 11782 B11R0.4 CCC[C@H](N)CCOCCCO 34a_100015193777_100000230001 [1,1,0,0,0,0|1,0,1]=4 11783 B11R0.4 CCC[C@H](N)COCCCCF 34a_100000732646_100000729493 [1,1,0,0,0,0|2,0,0]=4 11784 B11R0.4 CCC[C@H](N)COCCCCO 34a_100000732646_100011216708 [1,1,0,0,0,0|1,0,1]=4 11785 B11R0.4 CN(CCO)CCCCCC=O 2230a_100000210263_100000139337 [1,1,0,0,0,0|2,0,0]=4 11786 B11R0.4 CN(CCO)CCCCCC=O 269982a_100000210263_100000139337 [1,1,0,0,0,0|2,0,0]=4 11787 B11R0.4 COCC(C)SCCCCC=O 62a_100000139335_100000765312 [1,1,0,0,0,0|2,0,0]=4 11788 B11R0.4 COCC(C)SCCCCC=O 62a_100000765312_100000139335 [1,1,0,0,0,0|2,0,0]=4 11789 B11R0.4 COCC(O)CNCCCC=O 2230a_100000756049_200011292268 [1,1,0,0,0,0|2,0,0]=4 11790 B11R0.4 COCC(O)CSCCCC=O 62a_100011215053_200011292268 [1,1,0,0,0,0|2,0,0]=4 11791 B11R0.4 COCC(O)CSCCCC=O 62a_200011292268_100011215053 [1,1,0,0,0,0|2,0,0]=4 11792 B11R0.4 COC[C@@H](C)NCCCCC=O 2230a_100000764878_100000139335 [1,1,0,0,0,0|2,0,0]=4 11793 B11R0.4 C[C@H](CCO)NCCCCC=O 2230a_100000706166_100000139335 [1,1,0,0,0,0|2,0,0]=4 11794 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [1,1,0,0,0,0|0,0,2]=4 11795 B11R0.40 C=CC(C)COCCCCCC 34a_100011215527_100000210314 [1,1,0,0,0,0|1,0,1]=4 11796 B11R0.40 C=CC(C)COCCCCCC 7a_100011215527_100000210314 [1,1,0,0,0,0|1,0,1]=4 11797 B11R0.40 C=CC(C)OCCCCCCC 34a_100000695699_100000210614 [1,1,0,0,0,0|1,0,1]=4 11798 B11R0.40 C=CC(C)SCCCCCCC 62a_100011215867_100000210316 [1,1,0,0,0,0|1,0,1]=4 11799 B11R0.40 C=CC(O)CNCCCCCC 2230a_100000210581_100000730141 [1,1,0,0,0,0|1,0,1]=4 11800 B11R0.40 C=CC(O)COCCCCCC 34a_100000210259_100000730141 [1,1,0,0,0,0|1,0,1]=4 11801 B11R0.40 C=CC(O)COCCCCCC 7a_100000210259_100000730141 [1,1,0,0,0,0|1,0,1]=4 11802 B11R0.40 C=CC(O)CSCCCCCC 62a_100000210314_100000730141 [1,1,0,0,0,0|1,0,1]=4 11803 B11R0.40 C=CC(O)CSCCCCCC 62a_100000730141_100000210757 [1,1,0,0,0,0|1,0,1]=4 11804 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [1,1,0,0,0,0|0,0,2]=4 11805 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [1,1,0,0,0,0|0,0,2]=4 11806 B11R0.40 C=CCCCCCCN(C)CC 2230a_100000225621_100011215473 [1,1,0,0,0,0|1,0,1]=4 11807 B11R0.40 C=CCCCCCCN(C)CC 269982a_100000225621_100011215473 [1,1,0,0,0,0|1,0,1]=4 11808 B11R0.40 C=CCCCCCNC(C)CC 2230a_100000209981_100000700193 [1,1,0,0,0,0|1,0,1]=4 11809 B11R0.40 C=CCCCCCOC(C)CC 34a_100011216702_100011215416 [1,1,0,0,0,0|1,0,1]=4 11810 B11R0.40 C=CCCCCCOC(C)CC 7a_100000210228_100000700193 [1,1,0,0,0,0|1,0,1]=4 11811 B11R0.40 C=CCCCCCOC(C)CC 7a_100011216702_100000758301 [1,1,0,0,0,0|1,0,1]=4 11812 B11R0.40 C=CCCCCCSC(C)CC 62a_100000700193_100000758301 [1,1,0,0,0,0|1,0,1]=4 11813 B11R0.40 C=CCCCCCSC(C)CC 62a_100000758301_100000700193 [1,1,0,0,0,0|1,0,1]=4 11814 B11R0.40 C=CCCCCNCC(C)CC 2230a_100000703577_100000748023 [1,1,0,0,0,0|1,0,1]=4 11815 B11R0.40 C=CCCCCNCC(C)CC 2230a_100020588543_100011215482 [1,1,0,0,0,0|1,0,1]=4 11816 B11R0.40 C=CCCCCNCC(C)CC 270004a_100000703577_100000243153 [1,1,0,0,0,0|1,0,1]=4 11817 B11R0.40 C=CCCCCNCC(C)CC 34a_100000703577_100000748023 [1,1,0,0,0,0|1,0,1]=4 11818 B11R0.40 C=CCCCCNCC(O)CC 2230a_100000703577_100011218378 [1,1,0,0,0,0|1,0,1]=4 11819 B11R0.40 C=CCCCCNCC(O)CC 2230a_100011218483_100011215482 [1,1,0,0,0,0|1,0,1]=4 11820 B11R0.40 C=CCCCCNCC(O)CC 34a_100000703577_100011218378 [1,1,0,0,0,0|1,0,1]=4 11821 B11R0.40 C=CCCCCNC[C@@H](C)CC 2230a_100000703577_100009816398 [1,1,0,0,0,0|1,0,1]=4 11822 B11R0.40 C=CCCCCNC[C@@H](C)CC 34a_100000703577_100009816398 [1,1,0,0,0,0|1,0,1]=4 11823 B11R0.40 C=CCCCCOCC(C)CC 34a_100000766645_100000748023 [1,1,0,0,0,0|1,0,1]=4 11824 B11R0.40 C=CCCCCOCC(C)CC 7a_100000766645_100000748023 [1,1,0,0,0,0|1,0,1]=4 11825 B11R0.40 C=CCCCCOCC(O)CC 34a_100000766645_100011218378 [1,1,0,0,0,0|1,0,1]=4 11826 B11R0.40 C=CCCCCOCC(O)CC 7a_100000766645_100011218378 [1,1,0,0,0,0|1,0,1]=4 11827 B11R0.40 C=CCCCCOC[C@@H](C)CC 34a_100000766645_100009816398 [1,1,0,0,0,0|1,0,1]=4 11828 B11R0.40 C=CCCCCOC[C@@H](C)CC 7a_100000766645_100009816398 [1,1,0,0,0,0|1,0,1]=4 11829 B11R0.40 C=CCCCCOC[C@@H](C)CC 7a_100009816381_100011215482 [1,1,0,0,0,0|1,0,1]=4 11830 B11R0.40 C=CCCCCSCC(C)CC 62a_100000748023_100011215482 [1,1,0,0,0,0|1,0,1]=4 11831 B11R0.40 C=CCCCCSCC(C)CC 62a_100011215482_100000748023 [1,1,0,0,0,0|1,0,1]=4 11832 B11R0.40 C=CCCCCSCC(O)CC 62a_100011215482_100011218378 [1,1,0,0,0,0|1,0,1]=4 11833 B11R0.40 C=CCCCCSCC(O)CC 62a_100011218378_100011215482 [1,1,0,0,0,0|1,0,1]=4 11834 B11R0.40 C=CCCCCSC[C@@H](C)CC 62a_100009816398_100011215482 [1,1,0,0,0,0|1,0,1]=4 11835 B11R0.40 C=CCCCCSC[C@@H](C)CC 62a_100011215482_100009816398 [1,1,0,0,0,0|1,0,1]=4 11836 B11R0.40 C=CCCCNCCC(C)CC 2230a_100020591266_100011713584 [1,1,0,0,0,0|1,0,1]=4 11837 B11R0.40 C=CCCCOCCC(C)CC 7a_100011215188_100000757094 [1,1,0,0,0,0|1,0,1]=4 11838 B11R0.40 C=CCCOCCCC(C)CC 7a_100011216074_100000754431 [1,1,0,0,0,0|1,0,1]=4 11839 B11R0.40 C=C[C@H](N)COCCCCCC 34a_100016989147_100000210314 [1,1,0,0,0,0|1,0,1]=4 11840 B11R0.40 CC(CF)OCCCCCC=O 7a_100016041109_100000139337 [1,1,0,0,0,0|2,0,0]=4 11841 B11R0.40 CC(CO)CCNCCCC=O 2230a_106354213184_200011292268 [1,1,0,0,0,0|2,0,0]=4 11842 B11R0.40 CC(CO)SCCCCCC=O 62a_100012180447_100000139337 [1,1,0,0,0,0|2,0,0]=4 11843 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [1,1,0,0,0,0|0,0,2]=4 11844 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [1,1,0,0,0,0|0,0,2]=4 11845 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000139335_100000747405 [1,1,0,0,0,0|1,0,1]=4 11846 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000747405_100000139335 [1,1,0,0,0,0|1,0,1]=4 11847 B11R0.40 CCC(C)CCCCCOCF 7a_200000035636_100015361967 [1,1,0,0,0,0|2,0,0]=4 11848 B11R0.40 CCC(C)CCCOCCCF 7a_100011216074_100011934791 [1,1,0,0,0,0|2,0,0]=4 11849 B11R0.40 CCC(C)CCCOCCCO 7a_100011216074_100011215043 [1,1,0,0,0,0|1,0,1]=4 11850 B11R0.40 CCC(C)CCNCCCC=O 2230a_100020591266_200011292268 [1,1,0,0,0,0|1,0,0]=3 11851 B11R0.40 CCC(C)CCNCCCCF 2230a_100020591266_100000729493 [1,1,0,0,0,0|2,0,0]=4 11852 B11R0.40 CCC(C)CCNCCCCO 2230a_100020591266_100000210776 [1,1,0,0,0,0|1,0,1]=4 11853 B11R0.40 CCC(C)CCOCCCC=O 7a_100011215188_200011292268 [1,1,0,0,0,0|1,0,0]=3 11854 B11R0.40 CCC(C)CCOCCCCF 7a_100011215188_100000729493 [1,1,0,0,0,0|2,0,0]=4 11855 B11R0.40 CCC(C)CCOCCCCO 7a_100011215188_100000210776 [1,1,0,0,0,0|1,0,1]=4 11856 B11R0.40 CCC(C)CNCCCCC=O 2230a_100020588543_100000139335 [1,1,0,0,0,0|1,0,0]=3 11857 B11R0.40 CCC(C)CNCCCCCF 2230a_100020588543_100000729378 [1,1,0,0,0,0|2,0,0]=4 11858 B11R0.40 CCC(C)CNCCCCCO 2230a_100000762737_100000748023 [1,1,0,0,0,0|1,0,1]=4 11859 B11R0.40 CCC(C)CNCCCCCO 2230a_100020588543_100000746330 [1,1,0,0,0,0|1,0,1]=4 11860 B11R0.40 CCC(C)CNCCCCCO 270004a_100000762737_100000243153 [1,1,0,0,0,0|1,0,1]=4 11861 B11R0.40 CCC(C)CNCCCCCO 34a_100000762737_100000748023 [1,1,0,0,0,0|1,0,1]=4 11862 B11R0.40 CCC(C)COCCCCCBr 34a_100000746331_100000748023 [1,1,0,0,0,0|2,0,0]=4 11863 B11R0.40 CCC(C)COCCCCCBr 7a_100000746331_100000748023 [1,1,0,0,0,0|2,0,0]=4 11864 B11R0.40 CCC(C)COCCCCCCl 34a_100000746330_100000748023 [1,1,0,0,0,0|2,0,0]=4 11865 B11R0.40 CCC(C)COCCCCCCl 7a_100000746330_100000748023 [1,1,0,0,0,0|2,0,0]=4 11866 B11R0.40 CCC(C)COCCCCCI 34a_200012148887_100000748023 [1,1,0,0,0,0|2,0,0]=4 11867 B11R0.40 CCC(C)COCCCCCI 7a_200012148887_100000748023 [1,1,0,0,0,0|2,0,0]=4 11868 B11R0.40 CCC(C)COCCCCCN 34a_100000762737_100000748023 [1,1,0,0,0,0|2,0,0]=4 11869 B11R0.40 CCC(C)CSCCCCC=O 62a_100000139335_100000748023 [1,1,0,0,0,0|1,0,0]=3 11870 B11R0.40 CCC(C)CSCCCCC=O 62a_100000748023_100000139335 [1,1,0,0,0,0|1,0,0]=3 11871 B11R0.40 CCC(C)CSCCCCCF 62a_100000729378_100000748023 [1,1,0,0,0,0|2,0,0]=4 11872 B11R0.40 CCC(C)CSCCCCCF 62a_100000748023_100000729378 [1,1,0,0,0,0|2,0,0]=4 11873 B11R0.40 CCC(C)CSCCCCCO 62a_100000746330_100000748023 [1,1,0,0,0,0|1,0,1]=4 11874 B11R0.40 CCC(C)CSCCCCCO 62a_100000748023_100000746330 [1,1,0,0,0,0|1,0,1]=4 11875 B11R0.40 CCC(C)NCCCCCC=O 2230a_100000209981_100000139337 [1,1,0,0,0,0|1,0,0]=3 11876 B11R0.40 CCC(C)NCCCCCCF 2230a_100000209981_100015922095 [1,1,0,0,0,0|2,0,0]=4 11877 B11R0.40 CCC(C)NCCCCCCO 2230a_100000209981_100000766143 [1,1,0,0,0,0|1,0,1]=4 11878 B11R0.40 CCC(C)NCCCCCCO 2230a_100000686447_100000758301 [1,1,0,0,0,0|1,0,1]=4 11879 B11R0.40 CCC(C)NCCCCCCO 34a_100000686447_100011215416 [1,1,0,0,0,0|1,0,1]=4 11880 B11R0.40 CCC(C)OCCCCCC=O 7a_100000210228_100000139337 [1,1,0,0,0,0|1,0,0]=3 11881 B11R0.40 CCC(C)OCCCCCCBr 34a_100011215345_100011215416 [1,1,0,0,0,0|2,0,0]=4 11882 B11R0.40 CCC(C)OCCCCCCBr 7a_100011215345_100000758301 [1,1,0,0,0,0|2,0,0]=4 11883 B11R0.40 CCC(C)OCCCCCCCl 34a_100000766143_100011215416 [1,1,0,0,0,0|2,0,0]=4 11884 B11R0.40 CCC(C)OCCCCCCCl 7a_100000766143_100000758301 [1,1,0,0,0,0|2,0,0]=4 11885 B11R0.40 CCC(C)OCCCCCCF 34a_100000732779_100011215416 [1,1,0,0,0,0|2,0,0]=4 11886 B11R0.40 CCC(C)OCCCCCCF 7a_100000210228_100015922095 [1,1,0,0,0,0|2,0,0]=4 11887 B11R0.40 CCC(C)OCCCCCCF 7a_100000732779_100000758301 [1,1,0,0,0,0|2,0,0]=4 11888 B11R0.40 CCC(C)OCCCCCCN 34a_100000686447_100011215416 [1,1,0,0,0,0|2,0,0]=4 11889 B11R0.40 CCC(C)OCCCCCCO 7a_100000210228_100000766143 [1,1,0,0,0,0|1,0,1]=4 11890 B11R0.40 CCC(C)SCCCCCC=O 62a_100000139337_100000758301 [1,1,0,0,0,0|1,0,0]=3 11891 B11R0.40 CCC(C)SCCCCCC=O 62a_100000758301_100000139337 [1,1,0,0,0,0|1,0,0]=3 11892 B11R0.40 CCC(C)SCCCCCCF 62a_100000758301_100015922095 [1,1,0,0,0,0|2,0,0]=4 11893 B11R0.40 CCC(C)SCCCCCCF 62a_100015922095_100000758301 [1,1,0,0,0,0|2,0,0]=4 11894 B11R0.40 CCC(C)SCCCCCCO 62a_100000758301_100000766143 [1,1,0,0,0,0|1,0,1]=4 11895 B11R0.40 CCC(C)SCCCCCCO 62a_100000766143_100000758301 [1,1,0,0,0,0|1,0,1]=4 11896 B11R0.40 CCC(O)CNCCCCC=O 2230a_100011218483_100000139335 [1,1,0,0,0,0|1,0,0]=3 11897 B11R0.40 CCC(O)CNCCCCCF 2230a_100011218483_100000729378 [1,1,0,0,0,0|2,0,0]=4 11898 B11R0.40 CCC(O)CNCCCCCO 2230a_100000762737_100011218378 [1,1,0,0,0,0|1,0,1]=4 11899 B11R0.40 CCC(O)CNCCCCCO 2230a_100011218483_100000746330 [1,1,0,0,0,0|1,0,1]=4 11900 B11R0.40 CCC(O)CNCCCCCO 34a_100000762737_100011218378 [1,1,0,0,0,0|1,0,1]=4 11901 B11R0.40 CCC(O)COCCCCCBr 34a_100000746331_100011218378 [1,1,0,0,0,0|2,0,0]=4 11902 B11R0.40 CCC(O)COCCCCCBr 7a_100000746331_100011218378 [1,1,0,0,0,0|2,0,0]=4 11903 B11R0.40 CCC(O)COCCCCCCl 34a_100000746330_100011218378 [1,1,0,0,0,0|2,0,0]=4 11904 B11R0.40 CCC(O)COCCCCCCl 7a_100000746330_100011218378 [1,1,0,0,0,0|2,0,0]=4 11905 B11R0.40 CCC(O)COCCCCCI 34a_200012148887_100011218378 [1,1,0,0,0,0|2,0,0]=4 11906 B11R0.40 CCC(O)COCCCCCI 7a_200012148887_100011218378 [1,1,0,0,0,0|2,0,0]=4 11907 B11R0.40 CCC(O)COCCCCCN 34a_100000762737_100011218378 [1,1,0,0,0,0|2,0,0]=4 11908 B11R0.40 CCC(O)CSCCCCC=O 62a_100000139335_100011218378 [1,1,0,0,0,0|1,0,0]=3 11909 B11R0.40 CCC(O)CSCCCCC=O 62a_100011218378_100000139335 [1,1,0,0,0,0|1,0,0]=3 11910 B11R0.40 CCC(O)CSCCCCCF 62a_100000729378_100011218378 [1,1,0,0,0,0|2,0,0]=4 11911 B11R0.40 CCC(O)CSCCCCCF 62a_100011218378_100000729378 [1,1,0,0,0,0|2,0,0]=4 11912 B11R0.40 CCC(O)CSCCCCCO 62a_100000746330_100011218378 [1,1,0,0,0,0|1,0,1]=4 11913 B11R0.40 CCC(O)CSCCCCCO 62a_100011218378_100000746330 [1,1,0,0,0,0|1,0,1]=4 11914 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [1,1,0,0,0,0|0,0,2]=4 11915 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [1,1,0,0,0,0|0,0,2]=4 11916 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [1,1,0,0,0,0|1,0,1]=4 11917 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [1,1,0,0,0,0|0,0,2]=4 11918 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [1,1,0,0,0,0|1,0,1]=4 11919 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [1,1,0,0,0,0|1,0,1]=4 11920 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [1,1,0,0,0,0|1,0,1]=4 11921 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [1,1,0,0,0,0|1,0,1]=4 11922 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [1,1,0,0,0,0|1,0,1]=4 11923 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [1,1,0,0,0,0|1,0,1]=4 11924 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [1,1,0,0,0,0|1,0,1]=4 11925 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [1,1,0,0,0,0|1,0,1]=4 11926 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [1,1,0,0,0,0|1,0,1]=4 11927 B11R0.40 CCCCCCCCN(C)CF 269982a_100000207567_100015361967 [1,1,0,0,0,0|2,0,0]=4 11928 B11R0.40 CCCCCCCNC(C)CC 2230a_100000209981_100000210681 [1,1,0,0,0,0|1,0,1]=4 11929 B11R0.40 CCCCCCCNC(C)CC 2230a_100000229938_100000758301 [1,1,0,0,0,0|1,0,1]=4 11930 B11R0.40 CCCCCCCNC(C)CO 2230a_100000229938_100012180447 [1,1,0,0,0,0|1,0,1]=4 11931 B11R0.40 CCCCCCCN[C@H](C)CO 2230a_100000737577_100000210681 [1,1,0,0,0,0|1,0,1]=4 11932 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [1,1,0,0,0,0|1,0,1]=4 11933 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [1,1,0,0,0,0|1,0,1]=4 11934 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [1,1,0,0,0,0|1,0,1]=4 11935 B11R0.40 CCCCCCCOC(C)CF 34a_100016041109_100000210614 [1,1,0,0,0,0|2,0,0]=4 11936 B11R0.40 CCCCCCCOC(C)CF 7a_100016041109_100000210614 [1,1,0,0,0,0|2,0,0]=4 11937 B11R0.40 CCCCCCCOC(C)CN 34a_100000210904_100000210614 [1,1,0,0,0,0|2,0,0]=4 11938 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [1,1,0,0,0,0|1,0,1]=4 11939 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [1,1,0,0,0,0|1,0,1]=4 11940 B11R0.40 CCCCCCCSC(C)CC 62a_100000210614_100000758301 [1,1,0,0,0,0|1,0,1]=4 11941 B11R0.40 CCCCCCCSC(C)CC 62a_100000758301_100000210316 [1,1,0,0,0,0|1,0,1]=4 11942 B11R0.40 CCCCCCCSC(C)CO 62a_100012180447_100000210316 [1,1,0,0,0,0|1,0,1]=4 11943 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100000210614_100016084084 [1,1,0,0,0,0|1,0,1]=4 11944 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100016084084_100000210316 [1,1,0,0,0,0|1,0,1]=4 11945 B11R0.40 CCCCCCNCC(C)CC 2230a_100000210581_100000748023 [1,1,0,0,0,0|1,0,1]=4 11946 B11R0.40 CCCCCCNCC(C)CC 2230a_100020588543_100000210314 [1,1,0,0,0,0|1,0,1]=4 11947 B11R0.40 CCCCCCNCC(C)CC 270004a_100000210581_100000243153 [1,1,0,0,0,0|1,0,1]=4 11948 B11R0.40 CCCCCCNCC(C)CO 34a_100000744482_100000210314 [1,1,0,0,0,0|1,0,1]=4 11949 B11R0.40 CCCCCCNCC(O)CC 2230a_100000210581_100011218378 [1,1,0,0,0,0|1,0,1]=4 11950 B11R0.40 CCCCCCNCC(O)CC 2230a_100011218483_100000210314 [1,1,0,0,0,0|1,0,1]=4 11951 B11R0.40 CCCCCCNCC(O)CO 2230a_100000210581_100011219619 [1,1,0,0,0,0|1,0,1]=4 11952 B11R0.40 CCCCCCNC[C@@H](C)CC 2230a_100000210581_100009816398 [1,1,0,0,0,0|1,0,1]=4 11953 B11R0.40 CCCCCCNC[C@@H](C)CO 2230a_100000210581_100000059175 [1,1,0,0,0,0|1,0,1]=4 11954 B11R0.40 CCCCCCNC[C@@H](F)CO 34a_100015665980_100000210314 [1,1,0,0,0,0|1,0,1]=4 11955 B11R0.40 CCCCCCNC[C@@H](O)CF 2230a_100000210581_100015614560 [1,1,0,0,0,0|2,0,0]=4 11956 B11R0.40 CCCCCCNC[C@@H](O)CO 2230a_100000210581_100009815848 [1,1,0,0,0,0|1,0,1]=4 11957 B11R0.40 CCCCCCNC[C@H](O)CO 2230a_100020644852_100000210314 [1,1,0,0,0,0|1,0,1]=4 11958 B11R0.40 CCCCCCOCC(C)CC 34a_100000210259_100000748023 [1,1,0,0,0,0|1,0,1]=4 11959 B11R0.40 CCCCCCOCC(C)CC 7a_100000210259_100000748023 [1,1,0,0,0,0|1,0,1]=4 11960 B11R0.40 CCCCCCOCC(C)CN 34a_100000744482_100000210314 [1,1,0,0,0,0|2,0,0]=4 11961 B11R0.40 CCCCCCOCC(Cl)CCl 34a_100000033668_100000210314 [1,1,0,0,0,0|2,0,0]=4 11962 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [1,1,0,0,0,0|1,0,1]=4 11963 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [1,1,0,0,0,0|1,0,1]=4 11964 B11R0.40 CCCCCCOCC(O)CO 34a_100000210259_100011219619 [1,1,0,0,0,0|1,0,1]=4 11965 B11R0.40 CCCCCCOCC(O)CO 7a_100000210259_100011219619 [1,1,0,0,0,0|1,0,1]=4 11966 B11R0.40 CCCCCCOC[C@@H](C)CC 34a_100000210259_100009816398 [1,1,0,0,0,0|1,0,1]=4 11967 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100000210259_100009816398 [1,1,0,0,0,0|1,0,1]=4 11968 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100009816381_100000210314 [1,1,0,0,0,0|1,0,1]=4 11969 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [1,1,0,0,0,0|1,0,1]=4 11970 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [1,1,0,0,0,0|1,0,1]=4 11971 B11R0.40 CCCCCCOC[C@@H](O)CF 34a_100000210259_100015614560 [1,1,0,0,0,0|2,0,0]=4 11972 B11R0.40 CCCCCCOC[C@@H](O)CF 7a_100000210259_100015614560 [1,1,0,0,0,0|2,0,0]=4 11973 B11R0.40 CCCCCCOC[C@@H](O)CO 34a_100000210259_100009815848 [1,1,0,0,0,0|1,0,1]=4 11974 B11R0.40 CCCCCCOC[C@@H](O)CO 7a_100000210259_100009815848 [1,1,0,0,0,0|1,0,1]=4 11975 B11R0.40 CCCCCCOC[C@H](F)CN 34a_100015665980_100000210314 [1,1,0,0,0,0|2,0,0]=4 11976 B11R0.40 CCCCCCSCC(C)CC 62a_100000210314_100000748023 [1,1,0,0,0,0|1,0,1]=4 11977 B11R0.40 CCCCCCSCC(C)CC 62a_100000748023_100000210757 [1,1,0,0,0,0|1,0,1]=4 11978 B11R0.40 CCCCCCSCC(O)CC 62a_100000210314_100011218378 [1,1,0,0,0,0|1,0,1]=4 11979 B11R0.40 CCCCCCSCC(O)CC 62a_100011218378_100000210757 [1,1,0,0,0,0|1,0,1]=4 11980 B11R0.40 CCCCCCSCC(O)CO 62a_100000210314_100011219619 [1,1,0,0,0,0|1,0,1]=4 11981 B11R0.40 CCCCCCSCC(O)CO 62a_100011219619_100000210757 [1,1,0,0,0,0|1,0,1]=4 11982 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100000210314_100009816398 [1,1,0,0,0,0|1,0,1]=4 11983 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100009816398_100000210757 [1,1,0,0,0,0|1,0,1]=4 11984 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000059175_100000210757 [1,1,0,0,0,0|1,0,1]=4 11985 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000210314_100000059175 [1,1,0,0,0,0|1,0,1]=4 11986 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100000210314_100015614560 [1,1,0,0,0,0|2,0,0]=4 11987 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100015614560_100000210757 [1,1,0,0,0,0|2,0,0]=4 11988 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100000210314_100009815848 [1,1,0,0,0,0|1,0,1]=4 11989 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100009815848_100000210757 [1,1,0,0,0,0|1,0,1]=4 11990 B11R0.40 CCCCCNCCC(C)CC 2230a_100020591266_100000210326 [1,1,0,0,0,0|1,0,1]=4 11991 B11R0.40 CCCCCNCCC(C)CO 2230a_106354213184_100000210326 [1,1,0,0,0,0|1,0,1]=4 11992 B11R0.40 CCCCCNCCC(C)CO 34a_106354213184_100000718602 [1,1,0,0,0,0|1,0,1]=4 11993 B11R0.40 CCCCCOCCC(C)CC 7a_100011215188_100000210326 [1,1,0,0,0,0|1,0,1]=4 11994 B11R0.40 CCCCOCCCC(C)CC 7a_100011216074_100000210211 [1,1,0,0,0,0|1,0,1]=4 11995 B11R0.40 CCCCOCCC[C@@H](C)CN 34a_100160569302_100000210210 [1,1,0,0,0,0|2,0,0]=4 11996 B11R0.40 CCN(C)CCCCCCCO 2230a_100000225621_100000760002 [1,1,0,0,0,0|1,0,1]=4 11997 B11R0.40 CCN(C)CCCCCCCO 269982a_100000225621_100000760002 [1,1,0,0,0,0|1,0,1]=4 11998 B11R0.40 CCOCCCCCC(C)CC 7a_200000035636_100000210202 [1,1,0,0,0,0|1,0,1]=4 11999 B11R0.40 CC[C@H](C)CNCCCCCO 2230a_100000762737_100009816398 [1,1,0,0,0,0|1,0,1]=4 12000 B11R0.40 CC[C@H](C)CNCCCCCO 34a_100000762737_100009816398 [1,1,0,0,0,0|1,0,1]=4 12001 B11R0.40 CC[C@H](C)COCCCCC=O 7a_100009816381_100000139335 [1,1,0,0,0,0|1,0,0]=3 12002 B11R0.40 CC[C@H](C)COCCCCCBr 34a_100000746331_100009816398 [1,1,0,0,0,0|2,0,0]=4 12003 B11R0.40 CC[C@H](C)COCCCCCBr 7a_100000746331_100009816398 [1,1,0,0,0,0|2,0,0]=4 12004 B11R0.40 CC[C@H](C)COCCCCCCl 34a_100000746330_100009816398 [1,1,0,0,0,0|2,0,0]=4 12005 B11R0.40 CC[C@H](C)COCCCCCCl 7a_100000746330_100009816398 [1,1,0,0,0,0|2,0,0]=4 12006 B11R0.40 CC[C@H](C)COCCCCCF 7a_100009816381_100000729378 [1,1,0,0,0,0|2,0,0]=4 12007 B11R0.40 CC[C@H](C)COCCCCCI 34a_200012148887_100009816398 [1,1,0,0,0,0|2,0,0]=4 12008 B11R0.40 CC[C@H](C)COCCCCCI 7a_200012148887_100009816398 [1,1,0,0,0,0|2,0,0]=4 12009 B11R0.40 CC[C@H](C)COCCCCCN 34a_100000762737_100009816398 [1,1,0,0,0,0|2,0,0]=4 12010 B11R0.40 CC[C@H](C)COCCCCCO 7a_100009816381_100000746330 [1,1,0,0,0,0|1,0,1]=4 12011 B11R0.40 CC[C@H](C)CSCCCCC=O 62a_100000139335_100009816398 [1,1,0,0,0,0|1,0,0]=3 12012 B11R0.40 CC[C@H](C)CSCCCCC=O 62a_100009816398_100000139335 [1,1,0,0,0,0|1,0,0]=3 12013 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100000729378_100009816398 [1,1,0,0,0,0|2,0,0]=4 12014 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100009816398_100000729378 [1,1,0,0,0,0|2,0,0]=4 12015 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100000746330_100009816398 [1,1,0,0,0,0|1,0,1]=4 12016 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100009816398_100000746330 [1,1,0,0,0,0|1,0,1]=4 12017 B11R0.40 COC(C)CCOCCCC=O 7a_100000764861_200011292268 [1,1,0,0,0,0|2,0,0]=4 12018 B11R0.40 COC(C)SCCCCCC=O 62a_100000139337_100009879195 [1,1,0,0,0,0|2,0,0]=4 12019 B11R0.40 COC(C)SCCCCCC=O 62a_100009879195_100000139337 [1,1,0,0,0,0|2,0,0]=4 12020 B11R0.40 CO[C@H](C)CNCCCCC=O 2230a_100020591295_100000139335 [1,1,0,0,0,0|2,0,0]=4 12021 B11R0.40 C[C@@H](CO)CSCCCCC=O 62a_100000059175_100000139335 [1,1,0,0,0,0|2,0,0]=4 12022 B11R0.40 C[C@@H](CO)CSCCCCC=O 62a_100000139335_100000059175 [1,1,0,0,0,0|2,0,0]=4 12023 B11R0.40 C[C@H](CO)NCCCCCC=O 2230a_100000737577_100000139337 [1,1,0,0,0,0|2,0,0]=4 12024 B11R0.40 C[C@H](CO)SCCCCCC=O 62a_100000139337_100016084084 [1,1,0,0,0,0|2,0,0]=4 12025 B11R0.40 C[C@H](CO)SCCCCCC=O 62a_100016084084_100000139337 [1,1,0,0,0,0|2,0,0]=4 12026 B11R0.40 O=CCCCCNC[C@H](O)CO 2230a_100020644852_100000139335 [1,1,0,0,0,0|2,0,0]=4 12027 B11R0.40 O=CCCCCSCC(O)CO 62a_100000139335_100011219619 [1,1,0,0,0,0|2,0,0]=4 12028 B11R0.40 O=CCCCCSCC(O)CO 62a_100011219619_100000139335 [1,1,0,0,0,0|2,0,0]=4 12029 B11R0.40 O=CCCCCSC[C@@H](O)CF 62a_100000139335_100015614560 [1,1,0,0,0,0|2,0,0]=4 12030 B11R0.40 O=CCCCCSC[C@@H](O)CF 62a_100015614560_100000139335 [1,1,0,0,0,0|2,0,0]=4 12031 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100000139335_100009815848 [1,1,0,0,0,0|2,0,0]=4 12032 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100009815848_100000139335 [1,1,0,0,0,0|2,0,0]=4 12033 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [1,1,0,0,0,0|0,0,2]=4 12034 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [1,1,0,0,0,0|0,0,2]=4 12035 B11R0.81 C=CCCC(C)NCCCCC 270004a_100000209983_100000762624 [1,1,0,0,0,0|1,0,1]=4 12036 B11R0.81 C=CCCC(C)OCCCCC 34a_100000765329_100000718602 [1,1,0,0,0,0|1,0,1]=4 12037 B11R0.81 C=CCCC(C)OCCCCC 7a_100000765329_100000210326 [1,1,0,0,0,0|1,0,1]=4 12038 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100000210183_100011215482 [1,1,0,0,0,0|0,0,2]=4 12039 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100011215552_100000210211 [1,1,0,0,0,0|0,0,2]=4 12040 B11R0.81 C=CCCCCN(C)CCCC 2230a_100000207549_100011215482 [1,1,0,0,0,0|1,0,1]=4 12041 B11R0.81 C=CCCCCN(C)CCCC 2230a_100012000471_100000210211 [1,1,0,0,0,0|1,0,1]=4 12042 B11R0.81 C=CCCCCN(C)CCCC 269982a_100000207549_100011215482 [1,1,0,0,0,0|1,0,1]=4 12043 B11R0.81 C=CCCCCN(C)CCCC 269982a_100012000471_100000210211 [1,1,0,0,0,0|1,0,1]=4 12044 B11R0.81 C=CCCCNC(C)CCCC 2230a_100000126638_100011713584 [1,1,0,0,0,0|1,0,1]=4 12045 B11R0.81 C=CCCCNC(C)CCCC 2230a_100000700776_200011215066 [1,1,0,0,0,0|1,0,1]=4 12046 B11R0.81 C=CCCCNC(C)CCCC 270004a_100000700776_100000210087 [1,1,0,0,0,0|1,0,1]=4 12047 B11R0.81 C=CCCCNC(C)CCCC 34a_100000700776_200011215066 [1,1,0,0,0,0|1,0,1]=4 12048 B11R0.81 C=CCCCOC(C)CCCC 34a_100000687866_100000757094 [1,1,0,0,0,0|1,0,1]=4 12049 B11R0.81 C=CCCCOC(C)CCCC 34a_100000758997_200011215066 [1,1,0,0,0,0|1,0,1]=4 12050 B11R0.81 C=CCCCOC(C)CCCC 7a_100000687866_100000757094 [1,1,0,0,0,0|1,0,1]=4 12051 B11R0.81 C=CCCCOC(C)CCCC 7a_100000758997_200011215066 [1,1,0,0,0,0|1,0,1]=4 12052 B11R0.81 C=CCCCSC(C)CCCC 62a_100011713584_200011215066 [1,1,0,0,0,0|1,0,1]=4 12053 B11R0.81 C=CCCCSC(C)CCCC 62a_200011215066_100000757094 [1,1,0,0,0,0|1,0,1]=4 12054 B11R0.81 C=CCCN(C)CCCCCC 2230a_100020639649_100000210314 [1,1,0,0,0,0|1,0,1]=4 12055 B11R0.81 C=CCCN(C)CCCCCC 2230a_106256046315_100000754431 [1,1,0,0,0,0|1,0,1]=4 12056 B11R0.81 C=CCCN(C)CCCCCC 269982a_100020639649_100000210757 [1,1,0,0,0,0|1,0,1]=4 12057 B11R0.81 C=CCCN(C)CCCCCC 269982a_106256046315_100000754431 [1,1,0,0,0,0|1,0,1]=4 12058 B11R0.81 C=CCCOCC(C)CCCC 34a_100011995851_100000754431 [1,1,0,0,0,0|1,0,1]=4 12059 B11R0.81 C=CCCOCC(C)CCCC 7a_100011995851_100000754431 [1,1,0,0,0,0|1,0,1]=4 12060 B11R0.81 C=CCCOC[C@@H](N)CCCC 34a_100011934283_100000754431 [1,1,0,0,0,0|1,0,1]=4 12061 B11R0.81 C=CCNC(C)CCCCCC 2230a_100000210919_100000210623 [1,1,0,0,0,0|1,0,1]=4 12062 B11R0.81 C=CCNC(C)CCCCCC 2230a_100020586998_100011215978 [1,1,0,0,0,0|1,0,1]=4 12063 B11R0.81 C=CCNC(C)CCCCCC 270004a_100020586998_100000210826 [1,1,0,0,0,0|1,0,1]=4 12064 B11R0.81 C=CCNC(C)CCCCCC 34a_100000210919_100015514636 [1,1,0,0,0,0|1,0,1]=4 12065 B11R0.81 C=CCOC(C)CCCCCC 34a_100000210265_100015514636 [1,1,0,0,0,0|1,0,1]=4 12066 B11R0.81 C=CCOC(C)CCCCCC 34a_200000210373_100011215978 [1,1,0,0,0,0|1,0,1]=4 12067 B11R0.81 C=CCOC(C)CCCCCC 7a_100000210265_100015514636 [1,1,0,0,0,0|1,0,1]=4 12068 B11R0.81 C=CCSC(C)CCCCCC 62a_100000210623_100011215978 [1,1,0,0,0,0|1,0,1]=4 12069 B11R0.81 C=CCSC(C)CCCCCC 62a_100011215978_100000210623 [1,1,0,0,0,0|1,0,1]=4 12070 B11R0.81 CC(CCCCl)OCCCC=O 7a_200000718107_200011292268 [1,1,0,0,0,0|2,0,0]=4 12071 B11R0.81 CCCCC(=O)CCCCCF 1458a_100000210183_100000729378 [1,1,0,0,0,0|1,0,1]=4 12072 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [1,1,0,0,0,0|0,0,2]=4 12073 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [1,1,0,0,0,0|0,0,2]=4 12074 B11R0.81 CCCCC(C)CCCCOC 34a_200011021034_200000210301 [1,1,0,0,0,0|1,0,1]=4 12075 B11R0.81 CCCCC(C)CCCCOC 7a_200011021034_200000210301 [1,1,0,0,0,0|1,0,1]=4 12076 B11R0.81 CCCCC(C)CCCCO[13CH3] 34a_200011021034_200025704644 [1,1,0,0,0,0|1,0,1]=4 12077 B11R0.81 CCCCC(C)CCCCO[13CH3] 7a_200011021034_200025704644 [1,1,0,0,0,0|1,0,1]=4 12078 B11R0.81 CCCCC(C)COCCCF 34a_100011995851_100011934791 [1,1,0,0,0,0|2,0,0]=4 12079 B11R0.81 CCCCC(C)COCCCF 7a_100011995851_100011934791 [1,1,0,0,0,0|2,0,0]=4 12080 B11R0.81 CCCCC(C)COCCCO 34a_100011995851_100000230001 [1,1,0,0,0,0|1,0,1]=4 12081 B11R0.81 CCCCC(C)COCCCO 7a_100011995851_100011215043 [1,1,0,0,0,0|1,0,1]=4 12082 B11R0.81 CCCCC(C)NCCCC=O 2230a_100000126638_200011292268 [1,1,0,0,0,0|1,0,0]=3 12083 B11R0.81 CCCCC(C)NCCCCF 2230a_100000126638_100000729493 [1,1,0,0,0,0|2,0,0]=4 12084 B11R0.81 CCCCC(C)NCCCCO 2230a_100000126638_100000210776 [1,1,0,0,0,0|1,0,1]=4 12085 B11R0.81 CCCCC(C)NCCCCO 2230a_100000750430_200011215066 [1,1,0,0,0,0|1,0,1]=4 12086 B11R0.81 CCCCC(C)NCCCCO 270004a_100000750430_100000210087 [1,1,0,0,0,0|1,0,1]=4 12087 B11R0.81 CCCCC(C)NCCCCO 34a_100000750430_200011215066 [1,1,0,0,0,0|1,0,1]=4 12088 B11R0.81 CCCCC(C)OCCCC=O 7a_100000687866_200011292268 [1,1,0,0,0,0|1,0,0]=3 12089 B11R0.81 CCCCC(C)OCCCCBr 34a_100011216708_200011215066 [1,1,0,0,0,0|2,0,0]=4 12090 B11R0.81 CCCCC(C)OCCCCCl 34a_100000210776_200011215066 [1,1,0,0,0,0|2,0,0]=4 12091 B11R0.81 CCCCC(C)OCCCCCl 7a_100000210776_200011215066 [1,1,0,0,0,0|2,0,0]=4 12092 B11R0.81 CCCCC(C)OCCCCF 34a_100000687866_100000729493 [1,1,0,0,0,0|2,0,0]=4 12093 B11R0.81 CCCCC(C)OCCCCF 34a_100011995726_200011215066 [1,1,0,0,0,0|2,0,0]=4 12094 B11R0.81 CCCCC(C)OCCCCF 7a_100000687866_100000729493 [1,1,0,0,0,0|2,0,0]=4 12095 B11R0.81 CCCCC(C)OCCCCF 7a_100011995726_200011215066 [1,1,0,0,0,0|2,0,0]=4 12096 B11R0.81 CCCCC(C)OCCCCI 34a_200012148704_200011215066 [1,1,0,0,0,0|2,0,0]=4 12097 B11R0.81 CCCCC(C)OCCCCN 34a_100000750430_200011215066 [1,1,0,0,0,0|2,0,0]=4 12098 B11R0.81 CCCCC(C)OCCCCO 34a_100000687866_100011216708 [1,1,0,0,0,0|1,0,1]=4 12099 B11R0.81 CCCCC(C)OCCCCO 7a_100000687866_100000210776 [1,1,0,0,0,0|1,0,1]=4 12100 B11R0.81 CCCCC(C)SCCCC=O 62a_200011215066_200011292268 [1,1,0,0,0,0|1,0,0]=3 12101 B11R0.81 CCCCC(C)SCCCC=O 62a_200011292268_200011215066 [1,1,0,0,0,0|1,0,0]=3 12102 B11R0.81 CCCCC(C)SCCCCF 62a_100000729493_200011215066 [1,1,0,0,0,0|2,0,0]=4 12103 B11R0.81 CCCCC(C)SCCCCF 62a_200011215066_100000729493 [1,1,0,0,0,0|2,0,0]=4 12104 B11R0.81 CCCCC(C)SCCCCO 62a_100000210776_200011215066 [1,1,0,0,0,0|1,0,1]=4 12105 B11R0.81 CCCCC(C)SCCCCO 62a_200011215066_100000210776 [1,1,0,0,0,0|1,0,1]=4 12106 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [1,1,0,0,0,0|0,0,2]=4 12107 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [1,1,0,0,0,0|0,0,2]=4 12108 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [1,1,0,0,0,0|1,0,1]=4 12109 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [1,1,0,0,0,0|0,0,2]=4 12110 B11R0.81 CCCCCCC(C)CCOC 34a_200011024964_200000210301 [1,1,0,0,0,0|1,0,1]=4 12111 B11R0.81 CCCCCCC(C)CCOC 7a_200011024964_200000210301 [1,1,0,0,0,0|1,0,1]=4 12112 B11R0.81 CCCCCCC(C)CCO[13CH3] 34a_200011024964_200025704644 [1,1,0,0,0,0|1,0,1]=4 12113 B11R0.81 CCCCCCC(C)CCO[13CH3] 7a_200011024964_200025704644 [1,1,0,0,0,0|1,0,1]=4 12114 B11R0.81 CCCCCCC(C)NCC=O 2230a_100000210919_200015260668 [1,1,0,0,0,0|1,0,0]=3 12115 B11R0.81 CCCCCCC(C)NCC=O 34a_100000210919_200009817547 [1,1,0,0,0,0|1,0,0]=3 12116 B11R0.81 CCCCCCC(C)NCCC 2230a_100000210919_100000210303 [1,1,0,0,0,0|1,0,1]=4 12117 B11R0.81 CCCCCCC(C)NCCC 270004a_100020643023_100000210826 [1,1,0,0,0,0|1,0,1]=4 12118 B11R0.81 CCCCCCC(C)NCCC 34a_100000210919_100000210303 [1,1,0,0,0,0|1,0,1]=4 12119 B11R0.81 CCCCCCC(C)NCCF 2230a_100000210919_100011217306 [1,1,0,0,0,0|2,0,0]=4 12120 B11R0.81 CCCCCCC(C)NCCF 34a_100000210919_100011217306 [1,1,0,0,0,0|2,0,0]=4 12121 B11R0.81 CCCCCCC(C)NCCF 34a_100000724931_100011215978 [1,1,0,0,0,0|2,0,0]=4 12122 B11R0.81 CCCCCCC(C)NCCO 2230a_100000210919_100000211926 [1,1,0,0,0,0|1,0,1]=4 12123 B11R0.81 CCCCCCC(C)NCCO 2230a_100016997473_100011215978 [1,1,0,0,0,0|1,0,1]=4 12124 B11R0.81 CCCCCCC(C)NCCO 270004a_100000210304_100000210826 [1,1,0,0,0,0|1,0,1]=4 12125 B11R0.81 CCCCCCC(C)NCCO 34a_100000210919_100000211926 [1,1,0,0,0,0|1,0,1]=4 12126 B11R0.81 CCCCCCC(C)NCCO 34a_100016990907_100011215978 [1,1,0,0,0,0|1,0,1]=4 12127 B11R0.81 CCCCCCC(C)OCC=O 34a_100000210265_200009817547 [1,1,0,0,0,0|1,0,0]=3 12128 B11R0.81 CCCCCCC(C)OCC=O 7a_100000210265_200015260668 [1,1,0,0,0,0|1,0,0]=3 12129 B11R0.81 CCCCCCC(C)OCCBr 34a_100000211926_100011215978 [1,1,0,0,0,0|2,0,0]=4 12130 B11R0.81 CCCCCCC(C)OCCC 34a_100000210258_100011215978 [1,1,0,0,0,0|1,0,1]=4 12131 B11R0.81 CCCCCCC(C)OCCC 34a_100000210265_100000210303 [1,1,0,0,0,0|1,0,1]=4 12132 B11R0.81 CCCCCCC(C)OCCC 7a_100000210265_100000210303 [1,1,0,0,0,0|1,0,1]=4 12133 B11R0.81 CCCCCCC(C)OCCF 34a_100000210265_100011217306 [1,1,0,0,0,0|2,0,0]=4 12134 B11R0.81 CCCCCCC(C)OCCF 7a_100000210265_100011217306 [1,1,0,0,0,0|2,0,0]=4 12135 B11R0.81 CCCCCCC(C)OCCN 34a_100000210304_100011215978 [1,1,0,0,0,0|2,0,0]=4 12136 B11R0.81 CCCCCCC(C)OCCO 34a_100000210265_100000211926 [1,1,0,0,0,0|1,0,1]=4 12137 B11R0.81 CCCCCCC(C)OCCO 7a_100000210265_100000211926 [1,1,0,0,0,0|1,0,1]=4 12138 B11R0.81 CCCCCCC(C)SCC=O 62a_100011215978_200015260668 [1,1,0,0,0,0|1,0,0]=3 12139 B11R0.81 CCCCCCC(C)SCC=O 62a_200015260668_100011215978 [1,1,0,0,0,0|1,0,0]=3 12140 B11R0.81 CCCCCCC(C)SCCC 62a_100000210303_100011215978 [1,1,0,0,0,0|1,0,1]=4 12141 B11R0.81 CCCCCCC(C)SCCC 62a_100011215978_100000210303 [1,1,0,0,0,0|1,0,1]=4 12142 B11R0.81 CCCCCCC(C)SCCF 62a_100011215978_100011217306 [1,1,0,0,0,0|2,0,0]=4 12143 B11R0.81 CCCCCCC(C)SCCF 62a_100011217306_100011215978 [1,1,0,0,0,0|2,0,0]=4 12144 B11R0.81 CCCCCCC(C)SCCO 62a_100000211926_100011215978 [1,1,0,0,0,0|1,0,1]=4 12145 B11R0.81 CCCCCCC(C)SCCO 62a_100011215978_100000211926 [1,1,0,0,0,0|1,0,1]=4 12146 B11R0.81 CCCCCCN(C)CCCC 2230a_100000207549_100000210314 [1,1,0,0,0,0|1,0,1]=4 12147 B11R0.81 CCCCCCN(C)CCCC 2230a_106256046315_100000210211 [1,1,0,0,0,0|1,0,1]=4 12148 B11R0.81 CCCCCCN(C)CCCC 2230a_200000207677_200000210301 [1,1,0,0,0,0|1,0,1]=4 12149 B11R0.81 CCCCCCN(C)CCCC 269982a_100000207549_100000210757 [1,1,0,0,0,0|1,0,1]=4 12150 B11R0.81 CCCCCCN(C)CCCC 269982a_106256046315_100000210211 [1,1,0,0,0,0|1,0,1]=4 12151 B11R0.81 CCCCCCN(C)CCCC 269982a_200000207677_200000210301 [1,1,0,0,0,0|1,0,1]=4 12152 B11R0.81 CCCCCCN(C)CCCF 2230a_106256046315_100011934791 [1,1,0,0,0,0|2,0,0]=4 12153 B11R0.81 CCCCCCN(C)CCCF 269982a_106256046315_100011934791 [1,1,0,0,0,0|2,0,0]=4 12154 B11R0.81 CCCCCCN(C)CCCO 2230a_100000213112_100000210314 [1,1,0,0,0,0|1,0,1]=4 12155 B11R0.81 CCCCCCN(C)CCCO 2230a_106256046315_100000230001 [1,1,0,0,0,0|1,0,1]=4 12156 B11R0.81 CCCCCCN(C)CCCO 269982a_100000213112_100000210757 [1,1,0,0,0,0|1,0,1]=4 12157 B11R0.81 CCCCCCN(C)CCCO 269982a_106256046315_100011215043 [1,1,0,0,0,0|1,0,1]=4 12158 B11R0.81 CCCCCCN([13CH3])CCCC 2230a_200000207677_200025704644 [1,1,0,0,0,0|1,0,1]=4 12159 B11R0.81 CCCCCCN([13CH3])CCCC 269982a_200000207677_200025704644 [1,1,0,0,0,0|1,0,1]=4 12160 B11R0.81 CCCCCNC(C)CCCC 2230a_100000126638_100000210326 [1,1,0,0,0,0|1,0,1]=4 12161 B11R0.81 CCCCCNC(C)CCCC 2230a_100000209983_200011215066 [1,1,0,0,0,0|1,0,1]=4 12162 B11R0.81 CCCCCNC(C)CCCC 270004a_100000209983_100000210087 [1,1,0,0,0,0|1,0,1]=4 12163 B11R0.81 CCCCCOC(C)CCCC 34a_100000210253_200011215066 [1,1,0,0,0,0|1,0,1]=4 12164 B11R0.81 CCCCCOC(C)CCCC 34a_100000687866_100000718602 [1,1,0,0,0,0|1,0,1]=4 12165 B11R0.81 CCCCCOC(C)CCCC 7a_100000210253_200011215066 [1,1,0,0,0,0|1,0,1]=4 12166 B11R0.81 CCCCCOC(C)CCCC 7a_100000687866_100000210326 [1,1,0,0,0,0|1,0,1]=4 12167 B11R0.81 CCCCCOC(C)CCCCl 34a_200000718107_100000718602 [1,1,0,0,0,0|2,0,0]=4 12168 B11R0.81 CCCCCOC(C)CCCCl 7a_200000718107_100000210326 [1,1,0,0,0,0|2,0,0]=4 12169 B11R0.81 CCCCCSC(C)CCCC 62a_100000210326_200011215066 [1,1,0,0,0,0|1,0,1]=4 12170 B11R0.81 CCCCCSC(C)CCCC 62a_200011215066_100000210326 [1,1,0,0,0,0|1,0,1]=4 12171 B11R0.81 CCCCN(C)CCCCC=O 2230a_100000207549_100000139335 [1,1,0,0,0,0|1,0,0]=3 12172 B11R0.81 CCCCN(C)CCCCC=O 269982a_100000207549_100000139335 [1,1,0,0,0,0|1,0,0]=3 12173 B11R0.81 CCCCN(C)CCCCCF 2230a_100000207549_100000729378 [1,1,0,0,0,0|2,0,0]=4 12174 B11R0.81 CCCCN(C)CCCCCF 269982a_100000207549_100000729378 [1,1,0,0,0,0|2,0,0]=4 12175 B11R0.81 CCCCN(C)CCCCCO 2230a_100000207549_100000746330 [1,1,0,0,0,0|1,0,1]=4 12176 B11R0.81 CCCCN(C)CCCCCO 2230a_100000722520_100000210211 [1,1,0,0,0,0|1,0,1]=4 12177 B11R0.81 CCCCN(C)CCCCCO 269982a_100000207549_100000746330 [1,1,0,0,0,0|1,0,1]=4 12178 B11R0.81 CCCCN(C)CCCCCO 269982a_100000722520_100000210211 [1,1,0,0,0,0|1,0,1]=4 12179 B11R0.81 CCCCNC[C@H](C)CCCO 2230a_100160569302_100000210211 [1,1,0,0,0,0|1,0,1]=4 12180 B11R0.81 CCCCNC[C@H](C)CCCO 34a_100160569302_100000210210 [1,1,0,0,0,0|1,0,1]=4 12181 B11R0.81 CCCCOCC(C)CCCC 34a_100011995851_100000210210 [1,1,0,0,0,0|1,0,1]=4 12182 B11R0.81 CCCCOCC(C)CCCC 7a_100011995851_100000210211 [1,1,0,0,0,0|1,0,1]=4 12183 B11R0.81 CCCCOCC(C)OCC=O 34a_100011217071_200009817547 [1,1,0,0,0,0|2,0,0]=4 12184 B11R0.81 CCCCOCC(C)OCC=O 7a_100011217071_200015260668 [1,1,0,0,0,0|2,0,0]=4 12185 B11R0.81 CCCCOC[C@@H](N)CCCC 34a_100011934283_100000210210 [1,1,0,0,0,0|1,0,1]=4 12186 B11R0.81 CCCC[C@H](N)COCCCF 34a_100011934283_100011934791 [1,1,0,0,0,0|2,0,0]=4 12187 B11R0.81 CCCC[C@H](N)COCCCO 34a_100011934283_100000230001 [1,1,0,0,0,0|1,0,1]=4 12188 B11R0.81 CCOCC(C)OCCCC=O 7a_100000718985_200011292268 [1,1,0,0,0,0|2,0,0]=4 12189 B11R0.81 CN(CCCO)CCCCC=O 2230a_100000213112_100000139335 [1,1,0,0,0,0|2,0,0]=4 12190 B11R0.81 CN(CCCO)CCCCC=O 269982a_100000213112_100000139335 [1,1,0,0,0,0|2,0,0]=4 12191 B11R0.81 COCCN(C)CCCCC=O 2230a_100000743101_100000139335 [1,1,0,0,0,0|2,0,0]=4 12192 B11R0.81 COCCN(C)CCCCC=O 269982a_100000743101_100000139335 [1,1,0,0,0,0|2,0,0]=4 12193 B11R0.81 CSCCN(C)CCCCC=O 2230a_100000686725_100000139335 [1,1,0,0,0,0|2,0,0]=4 12194 B11R0.81 CSCCN(C)CCCCC=O 269982a_100000686725_100000139335 [1,1,0,0,0,0|2,0,0]=4 12195 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [1,1,0,0,0,0|0,0,2]=4 12196 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [1,1,0,0,0,0|0,0,2]=4 12197 B11R0.140 C=CCCCN(C)CCCCC 2230a_100000223495_100011713584 [1,1,0,0,0,0|1,0,1]=4 12198 B11R0.140 C=CCCCN(C)CCCCC 269982a_100000223495_100000757094 [1,1,0,0,0,0|1,0,1]=4 12199 B11R0.140 C=CCCNC(C)CCCCC 2230a_100000211957_100000754431 [1,1,0,0,0,0|1,0,1]=4 12200 B11R0.140 C=CCCNC(C)CCCCC 2230a_100015191253_200011218191 [1,1,0,0,0,0|1,0,1]=4 12201 B11R0.140 C=CCCNC(C)CCCCC 270004a_100015191253_100000211708 [1,1,0,0,0,0|1,0,1]=4 12202 B11R0.140 C=CCCOC(C)CCCCC 34a_100011205117_200011218191 [1,1,0,0,0,0|1,0,1]=4 12203 B11R0.140 C=CCCOC(C)CCCCC 34a_100011215632_100000754431 [1,1,0,0,0,0|1,0,1]=4 12204 B11R0.140 C=CCCOC(C)CCCCC 7a_100011215632_100000754431 [1,1,0,0,0,0|1,0,1]=4 12205 B11R0.140 C=CCCSC(C)CCCCC 62a_100000754431_200011218191 [1,1,0,0,0,0|1,0,1]=4 12206 B11R0.140 C=CCCSC(C)CCCCC 62a_200011218191_100000754431 [1,1,0,0,0,0|1,0,1]=4 12207 B11R0.140 CCCCCC(=O)CCCCC 1458a_100000212188_100000210326 [1,1,0,0,0,0|0,0,2]=4 12208 B11R0.140 CCCCCC(=O)CCCCF 1458a_100000212188_100000729493 [1,1,0,0,0,0|1,0,1]=4 12209 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000212188_100000210776 [1,1,0,0,0,0|0,0,2]=4 12210 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000695505_100000210326 [1,1,0,0,0,0|0,0,2]=4 12211 B11R0.140 CCCCCC(=O)CSCC=O 62a_200012276598_200015260668 [1,1,0,0,0,0|1,0,1]=4 12212 B11R0.140 CCCCCC(=O)CSCC=O 62a_200015260668_200012276598 [1,1,0,0,0,0|1,0,1]=4 12213 B11R0.140 CCCCCC(C)NCCCC 2230a_100000102301_200011218191 [1,1,0,0,0,0|1,0,1]=4 12214 B11R0.140 CCCCCC(C)NCCCC 2230a_100000211957_100000210211 [1,1,0,0,0,0|1,0,1]=4 12215 B11R0.140 CCCCCC(C)NCCCC 270004a_100000102301_100000211708 [1,1,0,0,0,0|1,0,1]=4 12216 B11R0.140 CCCCCC(C)NCCCC 7a_106832991798_200011218191 [1,1,0,0,0,0|1,0,1]=4 12217 B11R0.140 CCCCCC(C)NCCCF 2230a_100000211957_100011934791 [1,1,0,0,0,0|2,0,0]=4 12218 B11R0.140 CCCCCC(C)NCCCF 2230a_100015189416_200011218191 [1,1,0,0,0,0|2,0,0]=4 12219 B11R0.140 CCCCCC(C)NCCCF 270004a_100015189416_100000211708 [1,1,0,0,0,0|2,0,0]=4 12220 B11R0.140 CCCCCC(C)NCCCF 34a_100015189416_200011218191 [1,1,0,0,0,0|2,0,0]=4 12221 B11R0.140 CCCCCC(C)NCCCO 2230a_100000211957_100000230001 [1,1,0,0,0,0|1,0,1]=4 12222 B11R0.140 CCCCCC(C)NCCCO 270004a_100000182051_100000211708 [1,1,0,0,0,0|1,0,1]=4 12223 B11R0.140 CCCCCC(C)OCCCBr 34a_100011217188_200011218191 [1,1,0,0,0,0|2,0,0]=4 12224 B11R0.140 CCCCCC(C)OCCCC 34a_100000210227_200011218191 [1,1,0,0,0,0|1,0,1]=4 12225 B11R0.140 CCCCCC(C)OCCCC 34a_100011215632_100000210210 [1,1,0,0,0,0|1,0,1]=4 12226 B11R0.140 CCCCCC(C)OCCCC 7a_100000210227_200011218191 [1,1,0,0,0,0|1,0,1]=4 12227 B11R0.140 CCCCCC(C)OCCCC 7a_100011215632_100000210211 [1,1,0,0,0,0|1,0,1]=4 12228 B11R0.140 CCCCCC(C)OCCCCl 34a_100000230001_200011218191 [1,1,0,0,0,0|2,0,0]=4 12229 B11R0.140 CCCCCC(C)OCCCF 34a_100000759539_200011218191 [1,1,0,0,0,0|2,0,0]=4 12230 B11R0.140 CCCCCC(C)OCCCF 34a_100011215632_100011934791 [1,1,0,0,0,0|2,0,0]=4 12231 B11R0.140 CCCCCC(C)OCCCF 7a_100011215632_100011934791 [1,1,0,0,0,0|2,0,0]=4 12232 B11R0.140 CCCCCC(C)OCCCN 34a_100000182051_200011218191 [1,1,0,0,0,0|2,0,0]=4 12233 B11R0.140 CCCCCC(C)OCCCO 34a_100011215632_100000230001 [1,1,0,0,0,0|1,0,1]=4 12234 B11R0.140 CCCCCC(C)OCCCO 7a_100011215632_100011215043 [1,1,0,0,0,0|1,0,1]=4 12235 B11R0.140 CCCCCC(C)SCCCC 62a_100000210211_200011218191 [1,1,0,0,0,0|1,0,1]=4 12236 B11R0.140 CCCCCC(C)SCCCC 62a_200011218191_100000210210 [1,1,0,0,0,0|1,0,1]=4 12237 B11R0.140 CCCCCC(C)SCCCF 62a_100011934791_200011218191 [1,1,0,0,0,0|2,0,0]=4 12238 B11R0.140 CCCCCC(C)SCCCF 62a_200011218191_100011934791 [1,1,0,0,0,0|2,0,0]=4 12239 B11R0.140 CCCCCC(C)SCCCO 62a_100011215043_200011218191 [1,1,0,0,0,0|1,0,1]=4 12240 B11R0.140 CCCCCC(C)SCCCO 62a_200011218191_100011215043 [1,1,0,0,0,0|1,0,1]=4 12241 B11R0.140 CCCCCN(C)CCCC=O 2230a_100000223495_200011292268 [1,1,0,0,0,0|1,0,0]=3 12242 B11R0.140 CCCCCN(C)CCCC=O 269982a_100000223495_200011292268 [1,1,0,0,0,0|1,0,0]=3 12243 B11R0.140 CCCCCN(C)CCCCC 2230a_100000210580_200000210301 [1,1,0,0,0,0|1,0,1]=4 12244 B11R0.140 CCCCCN(C)CCCCC 2230a_100000223495_100000210326 [1,1,0,0,0,0|1,0,1]=4 12245 B11R0.140 CCCCCN(C)CCCCC 269982a_100000210580_200000210301 [1,1,0,0,0,0|1,0,1]=4 12246 B11R0.140 CCCCCN(C)CCCCC 269982a_100000223495_100000210215 [1,1,0,0,0,0|1,0,1]=4 12247 B11R0.140 CCCCCN(C)CCCCF 2230a_100000223495_100000729493 [1,1,0,0,0,0|2,0,0]=4 12248 B11R0.140 CCCCCN(C)CCCCF 269982a_100000223495_100000729493 [1,1,0,0,0,0|2,0,0]=4 12249 B11R0.140 CCCCCN(C)CCCCO 2230a_100000223495_100000210776 [1,1,0,0,0,0|1,0,1]=4 12250 B11R0.140 CCCCCN(C)CCCCO 2230a_100000717598_100000210326 [1,1,0,0,0,0|1,0,1]=4 12251 B11R0.140 CCCCCN(C)CCCCO 269982a_100000223495_100000210776 [1,1,0,0,0,0|1,0,1]=4 12252 B11R0.140 CCCCCN(C)CCCCO 269982a_100000717598_100000210215 [1,1,0,0,0,0|1,0,1]=4 12253 B11R0.140 CCCCCN([13CH3])CCCCC 2230a_100000210580_200025704644 [1,1,0,0,0,0|1,0,1]=4 12254 B11R0.140 CCCCCN([13CH3])CCCCC 269982a_100000210580_200025704644 [1,1,0,0,0,0|1,0,1]=4 12255 B11R0.140 CCCOC[C@@H](N)CCCCN 34a_100016993712_100000210303 [1,1,0,0,0,0|2,0,0]=4 12256 B11R0.140 CN(CCCC=O)CCCCO 2230a_100000717598_200011292268 [1,1,0,0,0,0|2,0,0]=4 12257 B11R0.140 CN(CCCC=O)CCCCO 269982a_100000717598_200011292268 [1,1,0,0,0,0|2,0,0]=4 12258 B11R0.140 COCCCN(C)CCCC=O 2230a_100000224831_200011292268 [1,1,0,0,0,0|2,0,0]=4 12259 B11R0.140 COCCCN(C)CCCC=O 269982a_100000224831_200011292268 [1,1,0,0,0,0|2,0,0]=4 12260 B11R0.140 NCCCC[C@H](N)COCC=O 34a_100016993712_200009817547 [1,1,0,0,0,0|2,0,0]=4 12261 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [1,1,0,0,0,0|0,0,2]=4 12262 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [1,1,0,0,0,0|0,0,2]=4 12263 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [1,1,0,0,0,0|0,0,2]=4 12264 B11R0.148 C=C(Br)CCOCCCCCC 34a_100009813270_100000210314 [1,1,0,0,0,0|1,0,1]=4 12265 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [1,1,0,0,0,0|1,0,1]=4 12266 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [1,1,0,0,0,0|1,0,1]=4 12267 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [1,1,0,0,0,0|1,0,1]=4 12268 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [1,1,0,0,0,0|1,0,1]=4 12269 B11R0.148 C=C(C)CCSCCCCC=O 62a_100000139335_100000730704 [1,1,0,0,0,0|1,0,1]=4 12270 B11R0.148 C=C(C)CCSCCCCC=O 62a_100000730704_100000139335 [1,1,0,0,0,0|1,0,1]=4 12271 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [1,1,0,0,0,0|1,0,1]=4 12272 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [1,1,0,0,0,0|1,0,1]=4 12273 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [1,1,0,0,0,0|1,0,1]=4 12274 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [1,1,0,0,0,0|1,0,1]=4 12275 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [1,1,0,0,0,0|1,0,1]=4 12276 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [1,1,0,0,0,0|1,0,1]=4 12277 B11R0.148 C=C(C)CSCCCCCC=O 62a_100000139337_100000211660 [1,1,0,0,0,0|1,0,1]=4 12278 B11R0.148 C=C(C)CSCCCCCC=O 62a_100000748629_100000139337 [1,1,0,0,0,0|1,0,1]=4 12279 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [1,1,0,0,0,0|1,0,1]=4 12280 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [1,1,0,0,0,0|1,0,1]=4 12281 B11R0.148 C=C(F)CNCCCCCCC 2230a_100000229938_100009893438 [1,1,0,0,0,0|1,0,1]=4 12282 B11R0.148 C=C(F)COCCCCCCC 34a_100000210272_100009893438 [1,1,0,0,0,0|1,0,1]=4 12283 B11R0.148 C=C(F)COCCCCCCC 34a_200010262243_100000210614 [1,1,0,0,0,0|1,0,1]=4 12284 B11R0.148 C=C(F)COCCCCCCC 7a_100000210272_100000042424 [1,1,0,0,0,0|1,0,1]=4 12285 B11R0.148 C=C(F)CSCCCCCCC 62a_100000042424_100000210316 [1,1,0,0,0,0|1,0,1]=4 12286 B11R0.148 C=C(F)CSCCCCCCC 62a_100000210614_100000042424 [1,1,0,0,0,0|1,0,1]=4 12287 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [1,1,0,0,0,0|0,0,2]=4 12288 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [1,1,0,0,0,0|0,0,2]=4 12289 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [1,1,0,0,0,0|0,0,2]=4 12290 B11R0.148 C=CCCCCCCCN(C)C 2230a_100102631434_100012355270 [1,1,0,0,0,0|1,0,1]=4 12291 B11R0.148 C=CCCCCCCCN(C)C 269982a_100102631434_100012355270 [1,1,0,0,0,0|1,0,1]=4 12292 B11R0.148 C=CCCCCCCNC(C)C 2230a_100138425928_100011215473 [1,1,0,0,0,0|1,0,1]=4 12293 B11R0.148 C=CCCCCCCNC(C)C 34a_100138425928_100011215473 [1,1,0,0,0,0|1,0,1]=4 12294 B11R0.148 C=CCCCCCCOC(C)C 34a_100000212225_100011215473 [1,1,0,0,0,0|1,0,1]=4 12295 B11R0.148 C=CCCCCCCOC(C)C 34a_200011216477_100000210206 [1,1,0,0,0,0|1,0,1]=4 12296 B11R0.148 C=CCCCCCCOC(C)C 7a_200011216477_100000210206 [1,1,0,0,0,0|1,0,1]=4 12297 B11R0.148 C=CCCCCCCSC(C)C 62a_100000210206_100011215473 [1,1,0,0,0,0|1,0,1]=4 12298 B11R0.148 C=CCCCCCCSC(C)C 62a_100011215473_100000210206 [1,1,0,0,0,0|1,0,1]=4 12299 B11R0.148 C=CCCCCCNCC(C)C 2230a_100000210953_100000700193 [1,1,0,0,0,0|1,0,1]=4 12300 B11R0.148 C=CCCCCCNCC(C)C 34a_100000210953_100000700193 [1,1,0,0,0,0|1,0,1]=4 12301 B11R0.148 C=CCCCCCNCC(C)O 2230a_100000210904_100000700193 [1,1,0,0,0,0|1,0,1]=4 12302 B11R0.148 C=CCCCCCNCC(C)O 34a_100000210904_100000700193 [1,1,0,0,0,0|1,0,1]=4 12303 B11R0.148 C=CCCCCCOCC(C)Br 34a_100012180447_100000700193 [1,1,0,0,0,0|1,0,1]=4 12304 B11R0.148 C=CCCCCCOCC(C)C 34a_100000210257_100000700193 [1,1,0,0,0,0|1,0,1]=4 12305 B11R0.148 C=CCCCCCOCC(C)C 34a_100011216702_100000210624 [1,1,0,0,0,0|1,0,1]=4 12306 B11R0.148 C=CCCCCCOCC(C)C 7a_100011216702_100000210760 [1,1,0,0,0,0|1,0,1]=4 12307 B11R0.148 C=CCCCCCOCC(C)F 34a_100015925927_100000700193 [1,1,0,0,0,0|1,0,1]=4 12308 B11R0.148 C=CCCCCCOCC(C)O 34a_100011216702_100011218427 [1,1,0,0,0,0|1,0,1]=4 12309 B11R0.148 C=CCCCCCOCC(C)O 7a_100011216702_100011218427 [1,1,0,0,0,0|1,0,1]=4 12310 B11R0.148 C=CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000700193 [1,1,0,0,0,0|1,0,1]=4 12311 B11R0.148 C=CCCCCCOC[C@@H](C)N 34a_100000737577_100000700193 [1,1,0,0,0,0|1,0,1]=4 12312 B11R0.148 C=CCCCCCOC[C@@H](C)O 34a_100011216702_100009817552 [1,1,0,0,0,0|1,0,1]=4 12313 B11R0.148 C=CCCCCCOC[C@@H](C)O 7a_100011216702_100009817552 [1,1,0,0,0,0|1,0,1]=4 12314 B11R0.148 C=CCCCCCSCC(C)C 62a_100000210624_100000700193 [1,1,0,0,0,0|1,0,1]=4 12315 B11R0.148 C=CCCCCCSCC(C)C 62a_100000700193_100000210760 [1,1,0,0,0,0|1,0,1]=4 12316 B11R0.148 C=CCCCCCSCC(C)O 62a_100000700193_100011218427 [1,1,0,0,0,0|1,0,1]=4 12317 B11R0.148 C=CCCCCCSCC(C)O 62a_100011218427_100000700193 [1,1,0,0,0,0|1,0,1]=4 12318 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100000700193_100009817552 [1,1,0,0,0,0|1,0,1]=4 12319 B11R0.148 C=CCCCCCSC[C@@H](C)O 62a_100009817552_100000700193 [1,1,0,0,0,0|1,0,1]=4 12320 B11R0.148 C=CCCCCNCCC(C)C 2230a_100000703577_100000210312 [1,1,0,0,0,0|1,0,1]=4 12321 B11R0.148 C=CCCCCNCCC(C)C 269862a_100000703577_100000185833 [1,1,0,0,0,0|1,0,1]=4 12322 B11R0.148 C=CCCCCNCCC(C)C 34a_100000703577_100000210312 [1,1,0,0,0,0|1,0,1]=4 12323 B11R0.148 C=CCCCCNCCC(C)O 2230a_100000703577_100012276601 [1,1,0,0,0,0|1,0,1]=4 12324 B11R0.148 C=CCCCCNCCC(C)O 2230a_200000755665_100011215482 [1,1,0,0,0,0|1,0,1]=4 12325 B11R0.148 C=CCCCCNCCC(C)O 34a_100000703577_100012276601 [1,1,0,0,0,0|1,0,1]=4 12326 B11R0.148 C=CCCCCOCCC(C)Br 34a_100009893172_100011215482 [1,1,0,0,0,0|1,0,1]=4 12327 B11R0.148 C=CCCCCOCCC(C)C 34a_100000210254_100011215482 [1,1,0,0,0,0|1,0,1]=4 12328 B11R0.148 C=CCCCCOCCC(C)C 34a_100000766645_100000210312 [1,1,0,0,0,0|1,0,1]=4 12329 B11R0.148 C=CCCCCOCCC(C)C 7a_100000210254_100011215482 [1,1,0,0,0,0|1,0,1]=4 12330 B11R0.148 C=CCCCCOCCC(C)C 7a_100000766645_100000210626 [1,1,0,0,0,0|1,0,1]=4 12331 B11R0.148 C=CCCCCOCCC(C)O 34a_100000766645_100012276601 [1,1,0,0,0,0|1,0,1]=4 12332 B11R0.148 C=CCCCCOCCC(C)O 7a_100000766645_100012276601 [1,1,0,0,0,0|1,0,1]=4 12333 B11R0.148 C=CCCCCOCC[C@@H](C)N 34a_100000706166_100011215482 [1,1,0,0,0,0|1,0,1]=4 12334 B11R0.148 C=CCCCCSCCC(C)C 62a_100000210312_100011215482 [1,1,0,0,0,0|1,0,1]=4 12335 B11R0.148 C=CCCCCSCCC(C)C 62a_100011215482_100000210312 [1,1,0,0,0,0|1,0,1]=4 12336 B11R0.148 C=CCCCCSCCC(C)O 62a_100011215482_100012276601 [1,1,0,0,0,0|1,0,1]=4 12337 B11R0.148 C=CCCCCSCCC(C)O 62a_100012276601_100011215482 [1,1,0,0,0,0|1,0,1]=4 12338 B11R0.148 C=CCCCNCCCC(C)C 2230a_100000700776_100011214892 [1,1,0,0,0,0|1,0,1]=4 12339 B11R0.148 C=CCCCNCCCC(C)C 2230a_200000737386_100011713584 [1,1,0,0,0,0|1,0,1]=4 12340 B11R0.148 C=CCCCNCCCC(C)C 34a_100000700776_100011214892 [1,1,0,0,0,0|1,0,1]=4 12341 B11R0.148 C=CCCCNCCCC(C)C 34a_200000737386_100000757094 [1,1,0,0,0,0|1,0,1]=4 12342 B11R0.148 C=CCCCNCCCC(C)O 2230a_100000700776_200000718107 [1,1,0,0,0,0|1,0,1]=4 12343 B11R0.148 C=CCCCNCCCC(C)O 34a_100000700776_200000718107 [1,1,0,0,0,0|1,0,1]=4 12344 B11R0.148 C=CCCCOCCCC(C)C 34a_100000210774_100000757094 [1,1,0,0,0,0|1,0,1]=4 12345 B11R0.148 C=CCCCOCCCC(C)C 34a_100000758997_100011214892 [1,1,0,0,0,0|1,0,1]=4 12346 B11R0.148 C=CCCCOCCCC(C)C 7a_100000210774_100000757094 [1,1,0,0,0,0|1,0,1]=4 12347 B11R0.148 C=CCCCOCCCC(C)C 7a_100000758997_100011214892 [1,1,0,0,0,0|1,0,1]=4 12348 B11R0.148 C=CCCCOCCCC(C)O 34a_100000758997_200000718107 [1,1,0,0,0,0|1,0,1]=4 12349 B11R0.148 C=CCCCOCCCC(C)O 7a_100000758997_200000718107 [1,1,0,0,0,0|1,0,1]=4 12350 B11R0.148 C=CCCCSCCCC(C)C 62a_100011214892_100000757094 [1,1,0,0,0,0|1,0,1]=4 12351 B11R0.148 C=CCCCSCCCC(C)C 62a_100011713584_100011214892 [1,1,0,0,0,0|1,0,1]=4 12352 B11R0.148 C=CCCCSCCCC(C)O 62a_100011713584_200000718107 [1,1,0,0,0,0|1,0,1]=4 12353 B11R0.148 C=CCCCSCCCC(C)O 62a_200000718107_100000757094 [1,1,0,0,0,0|1,0,1]=4 12354 B11R0.148 C=CCCNCCCCC(C)C 2230a_100015191253_100011216152 [1,1,0,0,0,0|1,0,1]=4 12355 B11R0.148 C=CCCOCCCCC(C)C 34a_100011205117_100011216152 [1,1,0,0,0,0|1,0,1]=4 12356 B11R0.148 C=CCCOCCCCC(C)C 34a_100011214890_100000754431 [1,1,0,0,0,0|1,0,1]=4 12357 B11R0.148 C=CCCOCCCCC(C)C 7a_100011214890_100000754431 [1,1,0,0,0,0|1,0,1]=4 12358 B11R0.148 C=CCCSCCCCC(C)C 62a_100000754431_100011216152 [1,1,0,0,0,0|1,0,1]=4 12359 B11R0.148 C=CCCSCCCCC(C)C 62a_100011216152_100000754431 [1,1,0,0,0,0|1,0,1]=4 12360 B11R0.148 C=CCNCCCCCC(C)C 2230a_100011290863_100000210623 [1,1,0,0,0,0|1,0,1]=4 12361 B11R0.148 C=CCNCCCCCC(C)C 2230a_100020586998_100000210682 [1,1,0,0,0,0|1,0,1]=4 12362 B11R0.148 C=CCNCCCCCC(C)C 34a_100011290863_100015514636 [1,1,0,0,0,0|1,0,1]=4 12363 B11R0.148 C=CCOCCCCCC(C)C 34a_100011995859_100015514636 [1,1,0,0,0,0|1,0,1]=4 12364 B11R0.148 C=CCOCCCCCC(C)C 34a_200000210373_100000210682 [1,1,0,0,0,0|1,0,1]=4 12365 B11R0.148 C=CCOCCCCCC(C)C 7a_100011995859_100015514636 [1,1,0,0,0,0|1,0,1]=4 12366 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210623_100000210682 [1,1,0,0,0,0|1,0,1]=4 12367 B11R0.148 C=CCSCCCCCC(C)C 62a_100000210682_100000210623 [1,1,0,0,0,0|1,0,1]=4 12368 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [1,1,0,0,0,0|1,0,0]=3 12369 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [1,1,0,0,0,0|2,0,0]=4 12370 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [1,1,0,0,0,0|2,0,0]=4 12371 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [1,1,0,0,0,0|2,0,0]=4 12372 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [1,1,0,0,0,0|2,0,0]=4 12373 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [1,1,0,0,0,0|2,0,0]=4 12374 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [1,1,0,0,0,0|2,0,0]=4 12375 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [1,1,0,0,0,0|2,0,0]=4 12376 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [1,1,0,0,0,0|2,0,0]=4 12377 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [1,1,0,0,0,0|2,0,0]=4 12378 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [1,1,0,0,0,0|2,0,0]=4 12379 B11R0.148 CC(=O)CCCOCCCC=O 7a_100000759063_200011292268 [1,1,0,0,0,0|1,0,1]=4 12380 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [1,1,0,0,0,0|2,0,0]=4 12381 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [1,1,0,0,0,0|2,0,0]=4 12382 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [1,1,0,0,0,0|2,0,0]=4 12383 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [1,1,0,0,0,0|2,0,0]=4 12384 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [1,1,0,0,0,0|2,0,0]=4 12385 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [1,1,0,0,0,0|2,0,0]=4 12386 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [1,1,0,0,0,0|2,0,0]=4 12387 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [1,1,0,0,0,0|2,0,0]=4 12388 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [1,1,0,0,0,0|2,0,0]=4 12389 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [1,1,0,0,0,0|2,0,0]=4 12390 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [1,1,0,0,0,0|2,0,0]=4 12391 B11R0.148 CC(=O)CCCSCCCC=O 62a_100011215641_200011292268 [1,1,0,0,0,0|1,0,1]=4 12392 B11R0.148 CC(=O)CCCSCCCC=O 62a_200011292268_100011215641 [1,1,0,0,0,0|1,0,1]=4 12393 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [1,1,0,0,0,0|2,0,0]=4 12394 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [1,1,0,0,0,0|2,0,0]=4 12395 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [1,1,0,0,0,0|2,0,0]=4 12396 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [1,1,0,0,0,0|2,0,0]=4 12397 B11R0.148 CC(=O)CCOCCCCC=O 7a_100000759926_100000139335 [1,1,0,0,0,0|1,0,1]=4 12398 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [1,1,0,0,0,0|2,0,0]=4 12399 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [1,1,0,0,0,0|2,0,0]=4 12400 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [1,1,0,0,0,0|2,0,0]=4 12401 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [1,1,0,0,0,0|2,0,0]=4 12402 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [1,1,0,0,0,0|2,0,0]=4 12403 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [1,1,0,0,0,0|2,0,0]=4 12404 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [1,1,0,0,0,0|2,0,0]=4 12405 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000053229_100000139335 [1,1,0,0,0,0|1,0,1]=4 12406 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000139335_100000053229 [1,1,0,0,0,0|1,0,1]=4 12407 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [1,1,0,0,0,0|2,0,0]=4 12408 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [1,1,0,0,0,0|2,0,0]=4 12409 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [1,1,0,0,0,0|2,0,0]=4 12410 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [1,1,0,0,0,0|2,0,0]=4 12411 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [1,1,0,0,0,0|2,0,0]=4 12412 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [1,1,0,0,0,0|2,0,0]=4 12413 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [1,1,0,0,0,0|2,0,0]=4 12414 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [1,1,0,0,0,0|2,0,0]=4 12415 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [1,1,0,0,0,0|2,0,0]=4 12416 B11R0.148 CC(Br)CCOCCCCCF 34a_100009893172_100000729378 [1,1,0,0,0,0|2,0,0]=4 12417 B11R0.148 CC(Br)CCOCCCCCO 34a_100009893172_100000746330 [1,1,0,0,0,0|1,0,1]=4 12418 B11R0.148 CC(Br)COCCCCCCF 34a_100012180447_100015922095 [1,1,0,0,0,0|2,0,0]=4 12419 B11R0.148 CC(Br)COCCCCCCO 34a_100012180447_100000766143 [1,1,0,0,0,0|1,0,1]=4 12420 B11R0.148 CC(C)CCCCCCCO[13CH3] 34a_200000210741_200025704644 [1,1,0,0,0,0|1,0,1]=4 12421 B11R0.148 CC(C)CCCCCCCO[13CH3] 7a_200000210741_200025704644 [1,1,0,0,0,0|1,0,1]=4 12422 B11R0.148 CC(C)CCCCCCNCF 34a_100000211014_100015361967 [1,1,0,0,0,0|2,0,0]=4 12423 B11R0.148 CC(C)CCCCCNCC=O 2230a_100011290863_200015260668 [1,1,0,0,0,0|1,0,0]=3 12424 B11R0.148 CC(C)CCCCCNCC=O 34a_100011290863_200009817547 [1,1,0,0,0,0|1,0,0]=3 12425 B11R0.148 CC(C)CCCCCNCCF 2230a_100011290863_100011217306 [1,1,0,0,0,0|2,0,0]=4 12426 B11R0.148 CC(C)CCCCCNCCF 34a_100000724931_100000210682 [1,1,0,0,0,0|2,0,0]=4 12427 B11R0.148 CC(C)CCCCCNCCF 34a_100011290863_100011217306 [1,1,0,0,0,0|2,0,0]=4 12428 B11R0.148 CC(C)CCCCCNCCO 2230a_100011290863_100000211926 [1,1,0,0,0,0|1,0,1]=4 12429 B11R0.148 CC(C)CCCCCNCCO 2230a_100016997473_100000210682 [1,1,0,0,0,0|1,0,1]=4 12430 B11R0.148 CC(C)CCCCCNCCO 34a_100011290863_100000211926 [1,1,0,0,0,0|1,0,1]=4 12431 B11R0.148 CC(C)CCCCCNCCO 34a_100016990907_100000210682 [1,1,0,0,0,0|1,0,1]=4 12432 B11R0.148 CC(C)CCCCCOCC=O 34a_100011995859_200009817547 [1,1,0,0,0,0|1,0,0]=3 12433 B11R0.148 CC(C)CCCCCOCC=O 7a_100011995859_200015260668 [1,1,0,0,0,0|1,0,0]=3 12434 B11R0.148 CC(C)CCCCCOCCBr 34a_100000211926_100000210682 [1,1,0,0,0,0|2,0,0]=4 12435 B11R0.148 CC(C)CCCCCOCCF 34a_100011995859_100011217306 [1,1,0,0,0,0|2,0,0]=4 12436 B11R0.148 CC(C)CCCCCOCCF 7a_100011995859_100011217306 [1,1,0,0,0,0|2,0,0]=4 12437 B11R0.148 CC(C)CCCCCOCCN 34a_100000210304_100000210682 [1,1,0,0,0,0|2,0,0]=4 12438 B11R0.148 CC(C)CCCCCOCCO 34a_100011995859_100000211926 [1,1,0,0,0,0|1,0,1]=4 12439 B11R0.148 CC(C)CCCCCOCCO 7a_100011995859_100000211926 [1,1,0,0,0,0|1,0,1]=4 12440 B11R0.148 CC(C)CCCCCSCC=O 62a_100000210682_200015260668 [1,1,0,0,0,0|1,0,0]=3 12441 B11R0.148 CC(C)CCCCCSCC=O 62a_200015260668_100000210682 [1,1,0,0,0,0|1,0,0]=3 12442 B11R0.148 CC(C)CCCCCSCCF 62a_100000210682_100011217306 [1,1,0,0,0,0|2,0,0]=4 12443 B11R0.148 CC(C)CCCCCSCCF 62a_100011217306_100000210682 [1,1,0,0,0,0|2,0,0]=4 12444 B11R0.148 CC(C)CCCCCSCCO 62a_100000210682_100000211926 [1,1,0,0,0,0|1,0,1]=4 12445 B11R0.148 CC(C)CCCCCSCCO 62a_100000211926_100000210682 [1,1,0,0,0,0|1,0,1]=4 12446 B11R0.148 CC(C)CCCCNCCCF 2230a_100015189416_100011216152 [1,1,0,0,0,0|2,0,0]=4 12447 B11R0.148 CC(C)CCCCNCCCF 34a_100015189416_100011216152 [1,1,0,0,0,0|2,0,0]=4 12448 B11R0.148 CC(C)CCCCOCCCBr 34a_100011217188_100011216152 [1,1,0,0,0,0|2,0,0]=4 12449 B11R0.148 CC(C)CCCCOCCCCl 34a_100000230001_100011216152 [1,1,0,0,0,0|2,0,0]=4 12450 B11R0.148 CC(C)CCCCOCCCF 34a_100000759539_100011216152 [1,1,0,0,0,0|2,0,0]=4 12451 B11R0.148 CC(C)CCCCOCCCF 34a_100011214890_100011934791 [1,1,0,0,0,0|2,0,0]=4 12452 B11R0.148 CC(C)CCCCOCCCF 7a_100011214890_100011934791 [1,1,0,0,0,0|2,0,0]=4 12453 B11R0.148 CC(C)CCCCOCCCN 34a_100000182051_100011216152 [1,1,0,0,0,0|2,0,0]=4 12454 B11R0.148 CC(C)CCCCOCCCO 34a_100011214890_100000230001 [1,1,0,0,0,0|1,0,1]=4 12455 B11R0.148 CC(C)CCCCOCCCO 7a_100011214890_100011215043 [1,1,0,0,0,0|1,0,1]=4 12456 B11R0.148 CC(C)CCCCSCCCF 62a_100011216152_100011934791 [1,1,0,0,0,0|2,0,0]=4 12457 B11R0.148 CC(C)CCCCSCCCF 62a_100011934791_100011216152 [1,1,0,0,0,0|2,0,0]=4 12458 B11R0.148 CC(C)CCCCSCCCO 62a_100011215043_100011216152 [1,1,0,0,0,0|1,0,1]=4 12459 B11R0.148 CC(C)CCCCSCCCO 62a_100011216152_100011215043 [1,1,0,0,0,0|1,0,1]=4 12460 B11R0.148 CC(C)CCCNCCCC=O 2230a_200000737386_200011292268 [1,1,0,0,0,0|1,0,0]=3 12461 B11R0.148 CC(C)CCCNCCCCF 2230a_200000737386_100000729493 [1,1,0,0,0,0|2,0,0]=4 12462 B11R0.148 CC(C)CCCNCCCCF 34a_200000737386_100000729493 [1,1,0,0,0,0|2,0,0]=4 12463 B11R0.148 CC(C)CCCNCCCCO 2230a_100000750430_100011214892 [1,1,0,0,0,0|1,0,1]=4 12464 B11R0.148 CC(C)CCCNCCCCO 2230a_200000737386_100000210776 [1,1,0,0,0,0|1,0,1]=4 12465 B11R0.148 CC(C)CCCNCCCCO 34a_100000750430_100011214892 [1,1,0,0,0,0|1,0,1]=4 12466 B11R0.148 CC(C)CCCNCCCCO 34a_200000737386_100011216708 [1,1,0,0,0,0|1,0,1]=4 12467 B11R0.148 CC(C)CCCOCCCC=O 7a_100000210774_200011292268 [1,1,0,0,0,0|1,0,0]=3 12468 B11R0.148 CC(C)CCCOCCCCBr 34a_100011216708_100011214892 [1,1,0,0,0,0|2,0,0]=4 12469 B11R0.148 CC(C)CCCOCCCCCl 34a_100000210776_100011214892 [1,1,0,0,0,0|2,0,0]=4 12470 B11R0.148 CC(C)CCCOCCCCCl 7a_100000210776_100011214892 [1,1,0,0,0,0|2,0,0]=4 12471 B11R0.148 CC(C)CCCOCCCCF 34a_100000210774_100000729493 [1,1,0,0,0,0|2,0,0]=4 12472 B11R0.148 CC(C)CCCOCCCCF 34a_100011995726_100011214892 [1,1,0,0,0,0|2,0,0]=4 12473 B11R0.148 CC(C)CCCOCCCCF 7a_100000210774_100000729493 [1,1,0,0,0,0|2,0,0]=4 12474 B11R0.148 CC(C)CCCOCCCCF 7a_100011995726_100011214892 [1,1,0,0,0,0|2,0,0]=4 12475 B11R0.148 CC(C)CCCOCCCCI 34a_200012148704_100011214892 [1,1,0,0,0,0|2,0,0]=4 12476 B11R0.148 CC(C)CCCOCCCCN 34a_100000750430_100011214892 [1,1,0,0,0,0|2,0,0]=4 12477 B11R0.148 CC(C)CCCOCCCCO 34a_100000210774_100011216708 [1,1,0,0,0,0|1,0,1]=4 12478 B11R0.148 CC(C)CCCOCCCCO 7a_100000210774_100000210776 [1,1,0,0,0,0|1,0,1]=4 12479 B11R0.148 CC(C)CCCSCCCC=O 62a_100011214892_200011292268 [1,1,0,0,0,0|1,0,0]=3 12480 B11R0.148 CC(C)CCCSCCCC=O 62a_200011292268_100011214892 [1,1,0,0,0,0|1,0,0]=3 12481 B11R0.148 CC(C)CCCSCCCCF 62a_100000729493_100011214892 [1,1,0,0,0,0|2,0,0]=4 12482 B11R0.148 CC(C)CCCSCCCCF 62a_100011214892_100000729493 [1,1,0,0,0,0|2,0,0]=4 12483 B11R0.148 CC(C)CCCSCCCCO 62a_100000210776_100011214892 [1,1,0,0,0,0|1,0,1]=4 12484 B11R0.148 CC(C)CCCSCCCCO 62a_100011214892_100000210776 [1,1,0,0,0,0|1,0,1]=4 12485 B11R0.148 CC(C)CCNCCCCCO 2230a_100000762737_100000210312 [1,1,0,0,0,0|1,0,1]=4 12486 B11R0.148 CC(C)CCNCCCCCO 269862a_100000762737_100000185833 [1,1,0,0,0,0|1,0,1]=4 12487 B11R0.148 CC(C)CCNCCCCCO 34a_100000762737_100000210312 [1,1,0,0,0,0|1,0,1]=4 12488 B11R0.148 CC(C)CCOCCCCC=O 7a_100000210254_100000139335 [1,1,0,0,0,0|1,0,0]=3 12489 B11R0.148 CC(C)CCOCCCCCBr 34a_100000746331_100000210312 [1,1,0,0,0,0|2,0,0]=4 12490 B11R0.148 CC(C)CCOCCCCCBr 7a_100000746331_100000210626 [1,1,0,0,0,0|2,0,0]=4 12491 B11R0.148 CC(C)CCOCCCCCCl 34a_100000746330_100000210312 [1,1,0,0,0,0|2,0,0]=4 12492 B11R0.148 CC(C)CCOCCCCCCl 7a_100000746330_100000210626 [1,1,0,0,0,0|2,0,0]=4 12493 B11R0.148 CC(C)CCOCCCCCF 34a_100000210254_100000729378 [1,1,0,0,0,0|2,0,0]=4 12494 B11R0.148 CC(C)CCOCCCCCF 7a_100000210254_100000729378 [1,1,0,0,0,0|2,0,0]=4 12495 B11R0.148 CC(C)CCOCCCCCI 34a_200012148887_100000210312 [1,1,0,0,0,0|2,0,0]=4 12496 B11R0.148 CC(C)CCOCCCCCI 7a_200012148887_100000210626 [1,1,0,0,0,0|2,0,0]=4 12497 B11R0.148 CC(C)CCOCCCCCN 34a_100000762737_100000210312 [1,1,0,0,0,0|2,0,0]=4 12498 B11R0.148 CC(C)CCOCCCCCO 34a_100000210254_100000746330 [1,1,0,0,0,0|1,0,1]=4 12499 B11R0.148 CC(C)CCOCCCCCO 7a_100000210254_100000746330 [1,1,0,0,0,0|1,0,1]=4 12500 B11R0.148 CC(C)CCSCCCCC=O 62a_100000139335_100000210312 [1,1,0,0,0,0|1,0,0]=3 12501 B11R0.148 CC(C)CCSCCCCC=O 62a_100000210312_100000139335 [1,1,0,0,0,0|1,0,0]=3 12502 B11R0.148 CC(C)CCSCCCCCF 62a_100000210312_100000729378 [1,1,0,0,0,0|2,0,0]=4 12503 B11R0.148 CC(C)CCSCCCCCF 62a_100000729378_100000210312 [1,1,0,0,0,0|2,0,0]=4 12504 B11R0.148 CC(C)CCSCCCCCO 62a_100000210312_100000746330 [1,1,0,0,0,0|1,0,1]=4 12505 B11R0.148 CC(C)CCSCCCCCO 62a_100000746330_100000210312 [1,1,0,0,0,0|1,0,1]=4 12506 B11R0.148 CC(C)CNCCCCCC=O 2230a_100000210953_100000139337 [1,1,0,0,0,0|1,0,0]=3 12507 B11R0.148 CC(C)CNCCCCCCF 2230a_100000210953_100015922095 [1,1,0,0,0,0|2,0,0]=4 12508 B11R0.148 CC(C)CNCCCCCCF 34a_100000210953_100015922095 [1,1,0,0,0,0|2,0,0]=4 12509 B11R0.148 CC(C)CNCCCCCCO 2230a_100000210953_100000766143 [1,1,0,0,0,0|1,0,1]=4 12510 B11R0.148 CC(C)CNCCCCCCO 2230a_100000686447_100000210760 [1,1,0,0,0,0|1,0,1]=4 12511 B11R0.148 CC(C)CNCCCCCCO 270004a_100000686447_100000210432 [1,1,0,0,0,0|1,0,1]=4 12512 B11R0.148 CC(C)CNCCCCCCO 34a_100000210953_100000766143 [1,1,0,0,0,0|1,0,1]=4 12513 B11R0.148 CC(C)CNCCCCCCO 34a_100000686447_100000210624 [1,1,0,0,0,0|1,0,1]=4 12514 B11R0.148 CC(C)COCCCCCCBr 34a_100011215345_100000210624 [1,1,0,0,0,0|2,0,0]=4 12515 B11R0.148 CC(C)COCCCCCCBr 7a_100011215345_100000210760 [1,1,0,0,0,0|2,0,0]=4 12516 B11R0.148 CC(C)COCCCCCCCl 34a_100000766143_100000210624 [1,1,0,0,0,0|2,0,0]=4 12517 B11R0.148 CC(C)COCCCCCCCl 7a_100000766143_100000210760 [1,1,0,0,0,0|2,0,0]=4 12518 B11R0.148 CC(C)COCCCCCCF 34a_100000210257_100015922095 [1,1,0,0,0,0|2,0,0]=4 12519 B11R0.148 CC(C)COCCCCCCF 34a_100000732779_100000210624 [1,1,0,0,0,0|2,0,0]=4 12520 B11R0.148 CC(C)COCCCCCCF 7a_100000732779_100000210760 [1,1,0,0,0,0|2,0,0]=4 12521 B11R0.148 CC(C)COCCCCCCN 34a_100000686447_100000210624 [1,1,0,0,0,0|2,0,0]=4 12522 B11R0.148 CC(C)COCCCCCCO 34a_100000210257_100000766143 [1,1,0,0,0,0|1,0,1]=4 12523 B11R0.148 CC(C)COCCCNCC=O 2230a_100000205972_200015260668 [1,1,0,0,0,0|2,0,0]=4 12524 B11R0.148 CC(C)COCCCNCC=O 34a_100000205972_200009817547 [1,1,0,0,0,0|2,0,0]=4 12525 B11R0.148 CC(C)CSCCCCCC=O 62a_100000139337_100000210760 [1,1,0,0,0,0|1,0,0]=3 12526 B11R0.148 CC(C)CSCCCCCC=O 62a_100000210624_100000139337 [1,1,0,0,0,0|1,0,0]=3 12527 B11R0.148 CC(C)CSCCCCCCF 62a_100000210624_100015922095 [1,1,0,0,0,0|2,0,0]=4 12528 B11R0.148 CC(C)CSCCCCCCF 62a_100015922095_100000210760 [1,1,0,0,0,0|2,0,0]=4 12529 B11R0.148 CC(C)CSCCCCCCO 62a_100000210624_100000766143 [1,1,0,0,0,0|1,0,1]=4 12530 B11R0.148 CC(C)CSCCCCCCO 62a_100000766143_100000210760 [1,1,0,0,0,0|1,0,1]=4 12531 B11R0.148 CC(C)NCCCCCCCO 2230a_100011996573_100000210206 [1,1,0,0,0,0|1,0,1]=4 12532 B11R0.148 CC(C)NCCCCCCCO 2230a_100138425928_100000760002 [1,1,0,0,0,0|1,0,1]=4 12533 B11R0.148 CC(C)NCCCCCCCO 34a_100011996573_100000210206 [1,1,0,0,0,0|1,0,1]=4 12534 B11R0.148 CC(C)NCCCCCCCO 34a_100138425928_100000760002 [1,1,0,0,0,0|1,0,1]=4 12535 B11R0.148 CC(C)NCCCCOCC=O 34a_100011521146_200009817547 [1,1,0,0,0,0|2,0,0]=4 12536 B11R0.148 CC(C)OCCCCCCCBr 34a_100000760002_100000210206 [1,1,0,0,0,0|2,0,0]=4 12537 B11R0.148 CC(C)OCCCCCCCBr 7a_100000760002_100000210206 [1,1,0,0,0,0|2,0,0]=4 12538 B11R0.148 CC(C)OCCCCCCCN 34a_100011996573_100000210206 [1,1,0,0,0,0|2,0,0]=4 12539 B11R0.148 CC(C)OCCCCCCCO 34a_100000212225_100000760002 [1,1,0,0,0,0|1,0,1]=4 12540 B11R0.148 CC(C)OCCNCCCC=O 2230a_100000701111_200011292268 [1,1,0,0,0,0|2,0,0]=4 12541 B11R0.148 CC(C)OCCOCCCC=O 7a_100000211219_200011292268 [1,1,0,0,0,0|2,0,0]=4 12542 B11R0.148 CC(C)OCCSCCCC=O 62a_100000211751_200011292268 [1,1,0,0,0,0|2,0,0]=4 12543 B11R0.148 CC(C)OCCSCCCC=O 62a_200011292268_100000211751 [1,1,0,0,0,0|2,0,0]=4 12544 B11R0.148 CC(C)OCSCCCCC=O 62a_100000139335_100000709892 [1,1,0,0,0,0|2,0,0]=4 12545 B11R0.148 CC(C)OCSCCCCC=O 62a_100000709892_100000139335 [1,1,0,0,0,0|2,0,0]=4 12546 B11R0.148 CC(C)SCCCCCCCO 62a_100000210206_100000760002 [1,1,0,0,0,0|1,0,1]=4 12547 B11R0.148 CC(C)SCCCCCCCO 62a_100000760002_100000210206 [1,1,0,0,0,0|1,0,1]=4 12548 B11R0.148 CC(C)SCCNCCCC=O 2230a_100000731138_200011292268 [1,1,0,0,0,0|2,0,0]=4 12549 B11R0.148 CC(C)SCCOCCCC=O 7a_200011212901_200011292268 [1,1,0,0,0,0|2,0,0]=4 12550 B11R0.148 CC(C)SCCSCCCC=O 62a_100000730970_200011292268 [1,1,0,0,0,0|2,0,0]=4 12551 B11R0.148 CC(C)SCCSCCCC=O 62a_200011292268_100000730970 [1,1,0,0,0,0|2,0,0]=4 12552 B11R0.148 CC(F)COCCCCCCF 34a_100015925927_100015922095 [1,1,0,0,0,0|2,0,0]=4 12553 B11R0.148 CC(F)COCCCCCCO 34a_100015925927_100000766143 [1,1,0,0,0,0|1,0,1]=4 12554 B11R0.148 CC(O)CCCNCCCCO 2230a_100000750430_200000718107 [1,1,0,0,0,0|1,0,1]=4 12555 B11R0.148 CC(O)CCCNCCCCO 34a_100000750430_200000718107 [1,1,0,0,0,0|1,0,1]=4 12556 B11R0.148 CC(O)CCCOCCCCBr 34a_100011216708_200000718107 [1,1,0,0,0,0|2,0,0]=4 12557 B11R0.148 CC(O)CCCOCCCCCl 34a_100000210776_200000718107 [1,1,0,0,0,0|2,0,0]=4 12558 B11R0.148 CC(O)CCCOCCCCCl 7a_100000210776_200000718107 [1,1,0,0,0,0|2,0,0]=4 12559 B11R0.148 CC(O)CCCOCCCCF 34a_100011995726_200000718107 [1,1,0,0,0,0|2,0,0]=4 12560 B11R0.148 CC(O)CCCOCCCCF 7a_100011995726_200000718107 [1,1,0,0,0,0|2,0,0]=4 12561 B11R0.148 CC(O)CCCOCCCCI 34a_200012148704_200000718107 [1,1,0,0,0,0|2,0,0]=4 12562 B11R0.148 CC(O)CCCOCCCCN 34a_100000750430_200000718107 [1,1,0,0,0,0|2,0,0]=4 12563 B11R0.148 CC(O)CCCSCCCC=O 62a_200000718107_200011292268 [1,1,0,0,0,0|1,0,0]=3 12564 B11R0.148 CC(O)CCCSCCCC=O 62a_200011292268_200000718107 [1,1,0,0,0,0|1,0,0]=3 12565 B11R0.148 CC(O)CCCSCCCCF 62a_100000729493_200000718107 [1,1,0,0,0,0|2,0,0]=4 12566 B11R0.148 CC(O)CCCSCCCCF 62a_200000718107_100000729493 [1,1,0,0,0,0|2,0,0]=4 12567 B11R0.148 CC(O)CCCSCCCCO 62a_100000210776_200000718107 [1,1,0,0,0,0|1,0,1]=4 12568 B11R0.148 CC(O)CCCSCCCCO 62a_200000718107_100000210776 [1,1,0,0,0,0|1,0,1]=4 12569 B11R0.148 CC(O)CCNCCCCC=O 2230a_200000755665_100000139335 [1,1,0,0,0,0|1,0,0]=3 12570 B11R0.148 CC(O)CCNCCCCCF 2230a_200000755665_100000729378 [1,1,0,0,0,0|2,0,0]=4 12571 B11R0.148 CC(O)CCNCCCCCO 2230a_100000762737_100012276601 [1,1,0,0,0,0|1,0,1]=4 12572 B11R0.148 CC(O)CCNCCCCCO 2230a_200000755665_100000746330 [1,1,0,0,0,0|1,0,1]=4 12573 B11R0.148 CC(O)CCNCCCCCO 34a_100000762737_100012276601 [1,1,0,0,0,0|1,0,1]=4 12574 B11R0.148 CC(O)CCOCCCCCBr 34a_100000746331_100012276601 [1,1,0,0,0,0|2,0,0]=4 12575 B11R0.148 CC(O)CCOCCCCCBr 7a_100000746331_100012276601 [1,1,0,0,0,0|2,0,0]=4 12576 B11R0.148 CC(O)CCOCCCCCCl 34a_100000746330_100012276601 [1,1,0,0,0,0|2,0,0]=4 12577 B11R0.148 CC(O)CCOCCCCCCl 7a_100000746330_100012276601 [1,1,0,0,0,0|2,0,0]=4 12578 B11R0.148 CC(O)CCOCCCCCI 34a_200012148887_100012276601 [1,1,0,0,0,0|2,0,0]=4 12579 B11R0.148 CC(O)CCOCCCCCI 7a_200012148887_100012276601 [1,1,0,0,0,0|2,0,0]=4 12580 B11R0.148 CC(O)CCOCCCCCN 34a_100000762737_100012276601 [1,1,0,0,0,0|2,0,0]=4 12581 B11R0.148 CC(O)CCSCCCCC=O 62a_100000139335_100012276601 [1,1,0,0,0,0|1,0,0]=3 12582 B11R0.148 CC(O)CCSCCCCC=O 62a_100012276601_100000139335 [1,1,0,0,0,0|1,0,0]=3 12583 B11R0.148 CC(O)CCSCCCCCF 62a_100000729378_100012276601 [1,1,0,0,0,0|2,0,0]=4 12584 B11R0.148 CC(O)CCSCCCCCF 62a_100012276601_100000729378 [1,1,0,0,0,0|2,0,0]=4 12585 B11R0.148 CC(O)CCSCCCCCO 62a_100000746330_100012276601 [1,1,0,0,0,0|1,0,1]=4 12586 B11R0.148 CC(O)CCSCCCCCO 62a_100012276601_100000746330 [1,1,0,0,0,0|1,0,1]=4 12587 B11R0.148 CC(O)CNCCCCCC=O 2230a_100000210904_100000139337 [1,1,0,0,0,0|1,0,0]=3 12588 B11R0.148 CC(O)CNCCCCCCF 2230a_100000210904_100015922095 [1,1,0,0,0,0|2,0,0]=4 12589 B11R0.148 CC(O)CNCCCCCCF 34a_100000210904_100015922095 [1,1,0,0,0,0|2,0,0]=4 12590 B11R0.148 CC(O)CNCCCCCCO 2230a_100000210904_100000766143 [1,1,0,0,0,0|1,0,1]=4 12591 B11R0.148 CC(O)CNCCCCCCO 2230a_100000686447_100011218427 [1,1,0,0,0,0|1,0,1]=4 12592 B11R0.148 CC(O)CNCCCCCCO 34a_100000210904_100000766143 [1,1,0,0,0,0|1,0,1]=4 12593 B11R0.148 CC(O)CNCCCCCCO 34a_100000686447_100011218427 [1,1,0,0,0,0|1,0,1]=4 12594 B11R0.148 CC(O)COCCCCCCBr 34a_100011215345_100011218427 [1,1,0,0,0,0|2,0,0]=4 12595 B11R0.148 CC(O)COCCCCCCBr 7a_100011215345_100011218427 [1,1,0,0,0,0|2,0,0]=4 12596 B11R0.148 CC(O)COCCCCCCCl 34a_100000766143_100011218427 [1,1,0,0,0,0|2,0,0]=4 12597 B11R0.148 CC(O)COCCCCCCCl 7a_100000766143_100011218427 [1,1,0,0,0,0|2,0,0]=4 12598 B11R0.148 CC(O)COCCCCCCF 34a_100000732779_100011218427 [1,1,0,0,0,0|2,0,0]=4 12599 B11R0.148 CC(O)COCCCCCCF 7a_100000732779_100011218427 [1,1,0,0,0,0|2,0,0]=4 12600 B11R0.148 CC(O)COCCCCCCN 34a_100000686447_100011218427 [1,1,0,0,0,0|2,0,0]=4 12601 B11R0.148 CC(O)CSCCCCCC=O 62a_100000139337_100011218427 [1,1,0,0,0,0|1,0,0]=3 12602 B11R0.148 CC(O)CSCCCCCC=O 62a_100011218427_100000139337 [1,1,0,0,0,0|1,0,0]=3 12603 B11R0.148 CC(O)CSCCCCCCF 62a_100011218427_100015922095 [1,1,0,0,0,0|2,0,0]=4 12604 B11R0.148 CC(O)CSCCCCCCF 62a_100015922095_100011218427 [1,1,0,0,0,0|2,0,0]=4 12605 B11R0.148 CC(O)CSCCCCCCO 62a_100000766143_100011218427 [1,1,0,0,0,0|1,0,1]=4 12606 B11R0.148 CC(O)CSCCCCCCO 62a_100011218427_100000766143 [1,1,0,0,0,0|1,0,1]=4 12607 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [1,1,0,0,0,0|0,0,2]=4 12608 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [1,1,0,0,0,0|0,0,2]=4 12609 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [1,1,0,0,0,0|0,0,2]=4 12610 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [1,1,0,0,0,0|0,0,2]=4 12611 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [1,1,0,0,0,0|0,0,2]=4 12612 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [1,1,0,0,0,0|0,0,2]=4 12613 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [1,1,0,0,0,0|0,0,2]=4 12614 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [1,1,0,0,0,0|0,0,0]=2 12615 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [1,1,0,0,0,0|0,0,0]=2 12616 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [1,1,0,0,0,0|0,0,0]=2 12617 B11R0.148 CCCCCCCCCN(C)C 2230a_100000232482_200000210301 [1,1,0,0,0,0|1,0,1]=4 12618 B11R0.148 CCCCCCCCCN(C)C 2230a_100102631434_100011214924 [1,1,0,0,0,0|1,0,1]=4 12619 B11R0.148 CCCCCCCCCN(C)C 269982a_100000232482_200000210301 [1,1,0,0,0,0|1,0,1]=4 12620 B11R0.148 CCCCCCCCCN(C)C 269982a_100102631434_100000210670 [1,1,0,0,0,0|1,0,1]=4 12621 B11R0.148 CCCCCCCCCN(C)[13CH3] 2230a_100000232482_200025704644 [1,1,0,0,0,0|1,0,1]=4 12622 B11R0.148 CCCCCCCCCN(C)[13CH3] 269982a_100000232482_200025704644 [1,1,0,0,0,0|1,0,1]=4 12623 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [1,1,0,0,0,0|1,0,0]=3 12624 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [1,1,0,0,0,0|1,0,0]=3 12625 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [1,1,0,0,0,0|1,0,0]=3 12626 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [1,1,0,0,0,0|1,0,0]=3 12627 B11R0.148 CCCCCCCCNC(C)C 2230a_100000229939_100000210206 [1,1,0,0,0,0|1,0,1]=4 12628 B11R0.148 CCCCCCCCNC(C)C 2230a_100138425928_100000210759 [1,1,0,0,0,0|1,0,1]=4 12629 B11R0.148 CCCCCCCCNC(C)C 34a_100000229939_100000210206 [1,1,0,0,0,0|1,0,1]=4 12630 B11R0.148 CCCCCCCCNC(C)C 34a_100138425928_100000210759 [1,1,0,0,0,0|1,0,1]=4 12631 B11R0.148 CCCCCCCCOC(C)C 34a_100000210232_100000210206 [1,1,0,0,0,0|1,0,1]=4 12632 B11R0.148 CCCCCCCCOC(C)C 34a_100000212225_100000210759 [1,1,0,0,0,0|1,0,1]=4 12633 B11R0.148 CCCCCCCCOC(C)C 7a_100000210232_100000210206 [1,1,0,0,0,0|1,0,1]=4 12634 B11R0.148 CCCCCCCCSC(C)C 62a_100000210206_100000210317 [1,1,0,0,0,0|1,0,1]=4 12635 B11R0.148 CCCCCCCCSC(C)C 62a_100000210759_100000210206 [1,1,0,0,0,0|1,0,1]=4 12636 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [1,1,0,0,0,0|1,0,0]=3 12637 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [1,1,0,0,0,0|1,0,0]=3 12638 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [1,1,0,0,0,0|1,0,0]=3 12639 B11R0.148 CCCCCCCNCC(C)C 2230a_100000210953_100000210681 [1,1,0,0,0,0|1,0,1]=4 12640 B11R0.148 CCCCCCCNCC(C)C 2230a_100000229938_100000210760 [1,1,0,0,0,0|1,0,1]=4 12641 B11R0.148 CCCCCCCNCC(C)C 270004a_100000229938_100000210432 [1,1,0,0,0,0|1,0,1]=4 12642 B11R0.148 CCCCCCCNCC(C)C 34a_100000210953_100000210614 [1,1,0,0,0,0|1,0,1]=4 12643 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [1,1,0,0,0,0|1,0,1]=4 12644 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [1,1,0,0,0,0|1,0,1]=4 12645 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [1,1,0,0,0,0|1,0,1]=4 12646 B11R0.148 CCCCCCCNCC(F)F 2230a_100000229938_100011934356 [1,1,0,0,0,0|2,0,0]=4 12647 B11R0.148 CCCCCCCNCC(F)F 34a_100000765723_100000210614 [1,1,0,0,0,0|2,0,0]=4 12648 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [1,1,0,0,0,0|1,0,1]=4 12649 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [1,1,0,0,0,0|1,0,0]=3 12650 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [1,1,0,0,0,0|1,0,0]=3 12651 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [1,1,0,0,0,0|1,0,0]=3 12652 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [1,1,0,0,0,0|1,0,0]=3 12653 B11R0.148 CCCCCCCOCC(C)Br 34a_100012180447_100000210614 [1,1,0,0,0,0|1,0,1]=4 12654 B11R0.148 CCCCCCCOCC(C)C 34a_100000210257_100000210614 [1,1,0,0,0,0|1,0,1]=4 12655 B11R0.148 CCCCCCCOCC(C)C 34a_100000210272_100000210624 [1,1,0,0,0,0|1,0,1]=4 12656 B11R0.148 CCCCCCCOCC(C)C 7a_100000210272_100000210760 [1,1,0,0,0,0|1,0,1]=4 12657 B11R0.148 CCCCCCCOCC(C)F 34a_100015925927_100000210614 [1,1,0,0,0,0|1,0,1]=4 12658 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [1,1,0,0,0,0|1,0,1]=4 12659 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [1,1,0,0,0,0|1,0,1]=4 12660 B11R0.148 CCCCCCCOCC(F)F 34a_100000210272_100011934356 [1,1,0,0,0,0|2,0,0]=4 12661 B11R0.148 CCCCCCCOCC(F)F 34a_100000743014_100000210614 [1,1,0,0,0,0|2,0,0]=4 12662 B11R0.148 CCCCCCCOCC(F)F 7a_100000210272_100011934356 [1,1,0,0,0,0|2,0,0]=4 12663 B11R0.148 CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210614 [1,1,0,0,0,0|1,0,1]=4 12664 B11R0.148 CCCCCCCOC[C@@H](C)N 34a_100000737577_100000210614 [1,1,0,0,0,0|1,0,1]=4 12665 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [1,1,0,0,0,0|1,0,1]=4 12666 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [1,1,0,0,0,0|1,0,1]=4 12667 B11R0.148 CCCCCCCOC[N+](=O)[O-] 34a_100000210272_100000761209 [1,1,0,0,0,0|2,0,0]=4 12668 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [1,1,0,0,0,0|1,0,0]=3 12669 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [1,1,0,0,0,0|1,0,0]=3 12670 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [1,1,0,0,0,0|1,0,0]=3 12671 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [1,1,0,0,0,0|1,0,0]=3 12672 B11R0.148 CCCCCCCSCC(C)C 62a_100000210614_100000210760 [1,1,0,0,0,0|1,0,1]=4 12673 B11R0.148 CCCCCCCSCC(C)C 62a_100000210624_100000210316 [1,1,0,0,0,0|1,0,1]=4 12674 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [1,1,0,0,0,0|1,0,1]=4 12675 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [1,1,0,0,0,0|1,0,1]=4 12676 B11R0.148 CCCCCCCSCC(F)F 62a_100000210614_100011934356 [1,1,0,0,0,0|2,0,0]=4 12677 B11R0.148 CCCCCCCSCC(F)F 62a_100011934356_100000210316 [1,1,0,0,0,0|2,0,0]=4 12678 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [1,1,0,0,0,0|1,0,1]=4 12679 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [1,1,0,0,0,0|1,0,1]=4 12680 B11R0.148 CCCCCCCSC[N+](=O)[O-] 62a_100000210614_100000761209 [1,1,0,0,0,0|2,0,0]=4 12681 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [1,1,0,0,0,0|1,0,0]=3 12682 B11R0.148 CCCCCCNCCC(C)C 2230a_100000210581_100000210312 [1,1,0,0,0,0|1,0,1]=4 12683 B11R0.148 CCCCCCNCCC(C)C 269862a_100000210581_100000185833 [1,1,0,0,0,0|1,0,1]=4 12684 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [1,1,0,0,0,0|1,0,1]=4 12685 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [1,1,0,0,0,0|1,0,1]=4 12686 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [1,1,0,0,0,0|2,0,0]=4 12687 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [1,1,0,0,0,0|1,0,0]=3 12688 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [1,1,0,0,0,0|1,0,0]=3 12689 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [1,1,0,0,0,0|1,0,0]=3 12690 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [1,1,0,0,0,0|1,0,0]=3 12691 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [1,1,0,0,0,0|1,0,0]=3 12692 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [1,1,0,0,0,0|1,0,0]=3 12693 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [1,1,0,0,0,0|1,0,0]=3 12694 B11R0.148 CCCCCCOCCC(C)Br 34a_100009893172_100000210314 [1,1,0,0,0,0|1,0,1]=4 12695 B11R0.148 CCCCCCOCCC(C)C 34a_100000210254_100000210314 [1,1,0,0,0,0|1,0,1]=4 12696 B11R0.148 CCCCCCOCCC(C)C 34a_100000210259_100000210312 [1,1,0,0,0,0|1,0,1]=4 12697 B11R0.148 CCCCCCOCCC(C)C 7a_100000210254_100000210314 [1,1,0,0,0,0|1,0,1]=4 12698 B11R0.148 CCCCCCOCCC(C)C 7a_100000210259_100000210626 [1,1,0,0,0,0|1,0,1]=4 12699 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [1,1,0,0,0,0|1,0,1]=4 12700 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [1,1,0,0,0,0|1,0,1]=4 12701 B11R0.148 CCCCCCOCCC(F)F 34a_100103093639_100000210314 [1,1,0,0,0,0|2,0,0]=4 12702 B11R0.148 CCCCCCOCC[C@@H](C)N 34a_100000706166_100000210314 [1,1,0,0,0,0|1,0,1]=4 12703 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [1,1,0,0,0,0|2,0,0]=4 12704 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [1,1,0,0,0,0|1,0,0]=3 12705 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [1,1,0,0,0,0|1,0,0]=3 12706 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [1,1,0,0,0,0|1,0,0]=3 12707 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [1,1,0,0,0,0|1,0,0]=3 12708 B11R0.148 CCCCCCSCCC(C)C 62a_100000210312_100000210757 [1,1,0,0,0,0|1,0,1]=4 12709 B11R0.148 CCCCCCSCCC(C)C 62a_100000210314_100000210312 [1,1,0,0,0,0|1,0,1]=4 12710 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [1,1,0,0,0,0|1,0,1]=4 12711 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [1,1,0,0,0,0|1,0,1]=4 12712 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [1,1,0,0,0,0|2,0,0]=4 12713 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [1,1,0,0,0,0|2,0,0]=4 12714 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [1,1,0,0,0,0|1,0,0]=3 12715 B11R0.148 CCCCCNCCCC(C)C 2230a_100000209983_100011214892 [1,1,0,0,0,0|1,0,1]=4 12716 B11R0.148 CCCCCNCCCC(C)C 2230a_200000737386_100000210326 [1,1,0,0,0,0|1,0,1]=4 12717 B11R0.148 CCCCCNCCCC(C)C 34a_200000737386_100000718602 [1,1,0,0,0,0|1,0,1]=4 12718 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [1,1,0,0,0,0|1,0,1]=4 12719 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [1,1,0,0,0,0|2,0,0]=4 12720 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [1,1,0,0,0,0|2,0,0]=4 12721 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [1,1,0,0,0,0|2,0,0]=4 12722 B11R0.148 CCCCCNCCNC(=O)N 2230a_100000209983_200000034859 [1,1,0,0,0,0|2,0,0]=4 12723 B11R0.148 CCCCCNCCNC(=O)N 34a_100020590234_100000718602 [1,1,0,0,0,0|2,0,0]=4 12724 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [1,1,0,0,0,0|1,0,0]=3 12725 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [1,1,0,0,0,0|1,0,0]=3 12726 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [1,1,0,0,0,0|1,0,0]=3 12727 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [1,1,0,0,0,0|1,0,0]=3 12728 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [1,1,0,0,0,0|1,0,0]=3 12729 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [1,1,0,0,0,0|1,0,0]=3 12730 B11R0.148 CCCCCOCCCC(C)C 34a_100000210253_100011214892 [1,1,0,0,0,0|1,0,1]=4 12731 B11R0.148 CCCCCOCCCC(C)C 34a_100000210774_100000718602 [1,1,0,0,0,0|1,0,1]=4 12732 B11R0.148 CCCCCOCCCC(C)C 7a_100000210253_100011214892 [1,1,0,0,0,0|1,0,1]=4 12733 B11R0.148 CCCCCOCCCC(C)C 7a_100000210774_100000210326 [1,1,0,0,0,0|1,0,1]=4 12734 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [1,1,0,0,0,0|1,0,1]=4 12735 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [1,1,0,0,0,0|1,0,1]=4 12736 B11R0.148 CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000718602 [1,1,0,0,0,0|2,0,0]=4 12737 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [1,1,0,0,0,0|2,0,0]=4 12738 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [1,1,0,0,0,0|2,0,0]=4 12739 B11R0.148 CCCCCOCCNC(=O)N 34a_100000181757_100000718602 [1,1,0,0,0,0|2,0,0]=4 12740 B11R0.148 CCCCCOCCNC(=O)N 7a_100000210253_200000034859 [1,1,0,0,0,0|2,0,0]=4 12741 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [1,1,0,0,0,0|2,0,0]=4 12742 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [1,1,0,0,0,0|2,0,0]=4 12743 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [1,1,0,0,0,0|2,0,0]=4 12744 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [1,1,0,0,0,0|2,0,0]=4 12745 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [1,1,0,0,0,0|2,0,0]=4 12746 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [1,1,0,0,0,0|1,0,0]=3 12747 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [1,1,0,0,0,0|1,0,0]=3 12748 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [1,1,0,0,0,0|1,0,0]=3 12749 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [1,1,0,0,0,0|1,0,0]=3 12750 B11R0.148 CCCCCSCCCC(C)C 62a_100000210326_100011214892 [1,1,0,0,0,0|1,0,1]=4 12751 B11R0.148 CCCCCSCCCC(C)C 62a_100011214892_100000210326 [1,1,0,0,0,0|1,0,1]=4 12752 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [1,1,0,0,0,0|1,0,1]=4 12753 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [1,1,0,0,0,0|1,0,1]=4 12754 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [1,1,0,0,0,0|2,0,0]=4 12755 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [1,1,0,0,0,0|2,0,0]=4 12756 B11R0.148 CCCCCSCCNC(=O)N 62a_100000210326_200000034859 [1,1,0,0,0,0|2,0,0]=4 12757 B11R0.148 CCCCCSCCNC(=O)N 62a_200000034859_100000210326 [1,1,0,0,0,0|2,0,0]=4 12758 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [1,1,0,0,0,0|2,0,0]=4 12759 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [1,1,0,0,0,0|2,0,0]=4 12760 B11R0.148 CCCCCSCCOC(=O)N 62a_100000210326_200011214921 [1,1,0,0,0,0|2,0,0]=4 12761 B11R0.148 CCCCCSCCOC(=O)N 62a_200011214921_100000210326 [1,1,0,0,0,0|2,0,0]=4 12762 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [1,1,0,0,0,0|1,0,0]=3 12763 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [1,1,0,0,0,0|1,0,0]=3 12764 B11R0.148 CCCCNCCCCC(C)C 2230a_100000102301_100011216152 [1,1,0,0,0,0|1,0,1]=4 12765 B11R0.148 CCCCNCCCCC(C)C 7a_106832991798_100011216152 [1,1,0,0,0,0|1,0,1]=4 12766 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [1,1,0,0,0,0|2,0,0]=4 12767 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [1,1,0,0,0,0|2,0,0]=4 12768 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [1,1,0,0,0,0|2,0,0]=4 12769 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [1,1,0,0,0,0|2,0,0]=4 12770 B11R0.148 CCCCNCCOCC(=O)N 2230a_100000102301_100000076697 [1,1,0,0,0,0|2,0,0]=4 12771 B11R0.148 CCCCNCCOCC(=O)N 7a_106832991798_100000076697 [1,1,0,0,0,0|2,0,0]=4 12772 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [1,1,0,0,0,0|2,0,0]=4 12773 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [1,1,0,0,0,0|1,0,0]=3 12774 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [1,1,0,0,0,0|1,0,0]=3 12775 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [1,1,0,0,0,0|1,0,0]=3 12776 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [1,1,0,0,0,0|1,0,0]=3 12777 B11R0.148 CCCCOCCCCC(C)C 34a_100000210227_100011216152 [1,1,0,0,0,0|1,0,1]=4 12778 B11R0.148 CCCCOCCCCC(C)C 34a_100011214890_100000210210 [1,1,0,0,0,0|1,0,1]=4 12779 B11R0.148 CCCCOCCCCC(C)C 7a_100000210227_100011216152 [1,1,0,0,0,0|1,0,1]=4 12780 B11R0.148 CCCCOCCCCC(C)C 7a_100011214890_100000210211 [1,1,0,0,0,0|1,0,1]=4 12781 B11R0.148 CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210210 [1,1,0,0,0,0|2,0,0]=4 12782 B11R0.148 CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210211 [1,1,0,0,0,0|2,0,0]=4 12783 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [1,1,0,0,0,0|2,0,0]=4 12784 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [1,1,0,0,0,0|2,0,0]=4 12785 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [1,1,0,0,0,0|2,0,0]=4 12786 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [1,1,0,0,0,0|2,0,0]=4 12787 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [1,1,0,0,0,0|2,0,0]=4 12788 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [1,1,0,0,0,0|2,0,0]=4 12789 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [1,1,0,0,0,0|2,0,0]=4 12790 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [1,1,0,0,0,0|2,0,0]=4 12791 B11R0.148 CCCCOCCNCC(=O)N 2230a_100000711301_100000743108 [1,1,0,0,0,0|2,0,0]=4 12792 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [1,1,0,0,0,0|2,0,0]=4 12793 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [1,1,0,0,0,0|2,0,0]=4 12794 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [1,1,0,0,0,0|2,0,0]=4 12795 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210227_100000076697 [1,1,0,0,0,0|2,0,0]=4 12796 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210238_100000187820 [1,1,0,0,0,0|2,0,0]=4 12797 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210227_100000076697 [1,1,0,0,0,0|2,0,0]=4 12798 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210238_100000187820 [1,1,0,0,0,0|2,0,0]=4 12799 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [1,1,0,0,0,0|2,0,0]=4 12800 B11R0.148 CCCCOCCOCC(=O)[O-] 34a_100000210238_100020667443 [1,1,0,0,0,0|2,0,0]=4 12801 B11R0.148 CCCCOCCSCC(=O)N 62a_100000743108_100000747473 [1,1,0,0,0,0|2,0,0]=4 12802 B11R0.148 CCCCOCCSCC(=O)N 62a_100000747473_100000743108 [1,1,0,0,0,0|2,0,0]=4 12803 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100000743108_100020667443 [1,1,0,0,0,0|2,0,0]=4 12804 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100020667443_100000743108 [1,1,0,0,0,0|2,0,0]=4 12805 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [1,1,0,0,0,0|2,0,0]=4 12806 B11R0.148 CCCCOCOCCC(=O)N 34a_100000757172_100011995733 [1,1,0,0,0,0|2,0,0]=4 12807 B11R0.148 CCCCOCSCCC(=O)C 62a_100000053229_100011995733 [1,1,0,0,0,0|2,0,0]=4 12808 B11R0.148 CCCCOCSCCC(=O)C 62a_100011995733_100000053229 [1,1,0,0,0,0|2,0,0]=4 12809 B11R0.148 CCCCOCSCCC(=O)N 62a_100000744528_100011995733 [1,1,0,0,0,0|2,0,0]=4 12810 B11R0.148 CCCCOCSCCC(=O)N 62a_100011995733_100000744528 [1,1,0,0,0,0|2,0,0]=4 12811 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [1,1,0,0,0,0|1,0,0]=3 12812 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [1,1,0,0,0,0|1,0,0]=3 12813 B11R0.148 CCCCSCCCCC(C)C 62a_100000210211_100011216152 [1,1,0,0,0,0|1,0,1]=4 12814 B11R0.148 CCCCSCCCCC(C)C 62a_100011216152_100000210210 [1,1,0,0,0,0|1,0,1]=4 12815 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [1,1,0,0,0,0|2,0,0]=4 12816 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [1,1,0,0,0,0|2,0,0]=4 12817 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [1,1,0,0,0,0|2,0,0]=4 12818 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [1,1,0,0,0,0|2,0,0]=4 12819 B11R0.148 CCCCSCCNCC(=O)N 2230a_100025743550_100000747473 [1,1,0,0,0,0|2,0,0]=4 12820 B11R0.148 CCCCSCCOCC(=O)N 34a_200000230436_100000187820 [1,1,0,0,0,0|2,0,0]=4 12821 B11R0.148 CCCCSCCOCC(=O)N 62a_100000076697_100000210210 [1,1,0,0,0,0|2,0,0]=4 12822 B11R0.148 CCCCSCCOCC(=O)N 62a_100000210211_100000076697 [1,1,0,0,0,0|2,0,0]=4 12823 B11R0.148 CCCCSCCOCC(=O)N 7a_200000230436_100000187820 [1,1,0,0,0,0|2,0,0]=4 12824 B11R0.148 CCCCSCCOCC(=O)[O-] 34a_200000230436_100020667443 [1,1,0,0,0,0|2,0,0]=4 12825 B11R0.148 CCCNCCCCCC(C)C 2230a_100011290863_100000210303 [1,1,0,0,0,0|1,0,1]=4 12826 B11R0.148 CCCNCCCCCC(C)C 34a_100011290863_100000210303 [1,1,0,0,0,0|1,0,1]=4 12827 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [1,1,0,0,0,0|2,0,0]=4 12828 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [1,1,0,0,0,0|2,0,0]=4 12829 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [1,1,0,0,0,0|1,0,0]=3 12830 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [1,1,0,0,0,0|1,0,0]=3 12831 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [1,1,0,0,0,0|1,0,0]=3 12832 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [1,1,0,0,0,0|1,0,0]=3 12833 B11R0.148 CCCOCCCCCC(C)C 34a_100000210258_100000210682 [1,1,0,0,0,0|1,0,1]=4 12834 B11R0.148 CCCOCCCCCC(C)C 34a_100011995859_100000210303 [1,1,0,0,0,0|1,0,1]=4 12835 B11R0.148 CCCOCCCCCC(C)C 7a_100011995859_100000210303 [1,1,0,0,0,0|1,0,1]=4 12836 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [1,1,0,0,0,0|2,0,0]=4 12837 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [1,1,0,0,0,0|2,0,0]=4 12838 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [1,1,0,0,0,0|2,0,0]=4 12839 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [1,1,0,0,0,0|2,0,0]=4 12840 B11R0.148 CCCOCCCNCC(=O)N 2230a_100011217757_100000747473 [1,1,0,0,0,0|2,0,0]=4 12841 B11R0.148 CCCOCCCNCC(=O)N 34a_100011217757_100000187820 [1,1,0,0,0,0|2,0,0]=4 12842 B11R0.148 CCCOCCCNCC(=O)[O-] 34a_100011217757_100020667443 [1,1,0,0,0,0|2,0,0]=4 12843 B11R0.148 CCCOCCNCCC(=O)N 2230a_100161115042_100000744528 [1,1,0,0,0,0|2,0,0]=4 12844 B11R0.148 CCCOCCNCCC(=O)N 34a_100161115042_100000731001 [1,1,0,0,0,0|2,0,0]=4 12845 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [1,1,0,0,0,0|2,0,0]=4 12846 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [1,1,0,0,0,0|2,0,0]=4 12847 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [1,1,0,0,0,0|2,0,0]=4 12848 B11R0.148 CCCOCCOCCC(=O)N 34a_100000752267_100000731001 [1,1,0,0,0,0|2,0,0]=4 12849 B11R0.148 CCCOCCOCCC(=O)N 34a_100000757172_100011215938 [1,1,0,0,0,0|2,0,0]=4 12850 B11R0.148 CCCOCCOCCC(=O)N 7a_100000752267_100000744528 [1,1,0,0,0,0|2,0,0]=4 12851 B11R0.148 CCCOCCOCCC(=O)N 7a_100000757172_100011215938 [1,1,0,0,0,0|2,0,0]=4 12852 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [1,1,0,0,0,0|2,0,0]=4 12853 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [1,1,0,0,0,0|2,0,0]=4 12854 B11R0.148 CCCOCCSCCC(=O)N 62a_100000744528_100011215938 [1,1,0,0,0,0|2,0,0]=4 12855 B11R0.148 CCCOCCSCCC(=O)N 62a_100011215938_100000744528 [1,1,0,0,0,0|2,0,0]=4 12856 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [1,1,0,0,0,0|1,0,0]=3 12857 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [1,1,0,0,0,0|1,0,0]=3 12858 B11R0.148 CCCSCCCCCC(C)C 62a_100000210303_100000210682 [1,1,0,0,0,0|1,0,1]=4 12859 B11R0.148 CCCSCCCCCC(C)C 62a_100000210682_100000210303 [1,1,0,0,0,0|1,0,1]=4 12860 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [1,1,0,0,0,0|2,0,0]=4 12861 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [1,1,0,0,0,0|2,0,0]=4 12862 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [1,1,0,0,0,0|2,0,0]=4 12863 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [1,1,0,0,0,0|2,0,0]=4 12864 B11R0.148 CCCSCCNCCC(=O)N 2230a_100020603323_100000744528 [1,1,0,0,0,0|2,0,0]=4 12865 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [1,1,0,0,0,0|2,0,0]=4 12866 B11R0.148 CCCSCCOCCC(=O)N 34a_200000230433_100000731001 [1,1,0,0,0,0|2,0,0]=4 12867 B11R0.148 CCCSCCOCCC(=O)N 7a_200000230433_100000744528 [1,1,0,0,0,0|2,0,0]=4 12868 B11R0.148 CCNCCCCCCC(C)C 2230a_100000211014_100000210202 [1,1,0,0,0,0|1,0,1]=4 12869 B11R0.148 CCNCCCCCCC(C)C 34a_100000211014_100000210202 [1,1,0,0,0,0|1,0,1]=4 12870 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [1,1,0,0,0,0|2,0,0]=4 12871 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [1,1,0,0,0,0|2,0,0]=4 12872 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [1,1,0,0,0,0|2,0,0]=4 12873 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [1,1,0,0,0,0|2,0,0]=4 12874 B11R0.148 CCOCCCNCCC(=O)N 2230a_100000210961_100000744528 [1,1,0,0,0,0|2,0,0]=4 12875 B11R0.148 CCOCCCNCCC(=O)N 34a_100000210961_100000731001 [1,1,0,0,0,0|2,0,0]=4 12876 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [1,1,0,0,0,0|2,0,0]=4 12877 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [1,1,0,0,0,0|2,0,0]=4 12878 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [1,1,0,0,0,0|2,0,0]=4 12879 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757172_100012232248 [1,1,0,0,0,0|2,0,0]=4 12880 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757476_100000731001 [1,1,0,0,0,0|2,0,0]=4 12881 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757172_100012232248 [1,1,0,0,0,0|2,0,0]=4 12882 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757476_100000744528 [1,1,0,0,0,0|2,0,0]=4 12883 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [1,1,0,0,0,0|2,0,0]=4 12884 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [1,1,0,0,0,0|2,0,0]=4 12885 B11R0.148 CCOCCCSCCC(=O)N 62a_100000744528_100012232248 [1,1,0,0,0,0|2,0,0]=4 12886 B11R0.148 CCOCCCSCCC(=O)N 62a_100012232248_100000744528 [1,1,0,0,0,0|2,0,0]=4 12887 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [1,1,0,0,0,0|2,0,0]=4 12888 B11R0.148 CCOCCNCCCC(=O)N 34a_100000739312_100000210147 [1,1,0,0,0,0|2,0,0]=4 12889 B11R0.148 CCOCCNCCCC(=O)N 34a_102516460346_100102525003 [1,1,0,0,0,0|2,0,0]=4 12890 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [1,1,0,0,0,0|2,0,0]=4 12891 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [1,1,0,0,0,0|2,0,0]=4 12892 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [1,1,0,0,0,0|2,0,0]=4 12893 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [1,1,0,0,0,0|2,0,0]=4 12894 B11R0.148 CCOCCOCCCC(=O)N 34a_100000210136_100102525003 [1,1,0,0,0,0|2,0,0]=4 12895 B11R0.148 CCOCCOCCCC(=O)N 7a_100000210136_100102525003 [1,1,0,0,0,0|2,0,0]=4 12896 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [1,1,0,0,0,0|2,0,0]=4 12897 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [1,1,0,0,0,0|2,0,0]=4 12898 B11R0.148 CCOCCSCCCC(=O)N 62a_100000210147_100102525003 [1,1,0,0,0,0|2,0,0]=4 12899 B11R0.148 CCOCCSCCCC(=O)N 62a_100102525003_100011215890 [1,1,0,0,0,0|2,0,0]=4 12900 B11R0.148 CCOCSCCCCC(=O)C 62a_100000735457_100000739092 [1,1,0,0,0,0|2,0,0]=4 12901 B11R0.148 CCOCSCCCCC(=O)C 62a_100000739092_100000735457 [1,1,0,0,0,0|2,0,0]=4 12902 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [1,1,0,0,0,0|2,0,0]=4 12903 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [1,1,0,0,0,0|2,0,0]=4 12904 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [1,1,0,0,0,0|2,0,0]=4 12905 B11R0.148 CCSCCCOCCC(=O)N 34a_100011216438_100000731001 [1,1,0,0,0,0|2,0,0]=4 12906 B11R0.148 CCSCCCOCCC(=O)N 7a_100011216438_100000744528 [1,1,0,0,0,0|2,0,0]=4 12907 B11R0.148 CCSCCNCCCC(=O)N 34a_100000739312_100000757381 [1,1,0,0,0,0|2,0,0]=4 12908 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [1,1,0,0,0,0|2,0,0]=4 12909 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [1,1,0,0,0,0|2,0,0]=4 12910 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [1,1,0,0,0,0|2,0,0]=4 12911 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [1,1,0,0,0,0|2,0,0]=4 12912 B11R0.148 CCSCCOCCCC(=O)N 34a_100000212035_100102525003 [1,1,0,0,0,0|2,0,0]=4 12913 B11R0.148 CCSCCOCCCC(=O)N 7a_100000212035_100102525003 [1,1,0,0,0,0|2,0,0]=4 12914 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [1,1,0,0,0,0|2,0,0]=4 12915 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [1,1,0,0,0,0|2,0,0]=4 12916 B11R0.148 CCSCCSCCCC(=O)N 62a_100000757381_100102525003 [1,1,0,0,0,0|2,0,0]=4 12917 B11R0.148 CCSCCSCCCC(=O)N 62a_100102525003_100000757381 [1,1,0,0,0,0|2,0,0]=4 12918 B11R0.148 CN(C)CCCCCCCCO 2230a_100102631434_100000033203 [1,1,0,0,0,0|1,0,1]=4 12919 B11R0.148 CN(C)CCCCCCCCO 269982a_100102631434_100000033203 [1,1,0,0,0,0|1,0,1]=4 12920 B11R0.148 CN(C)CCCSCCCC=O 62a_200011292268_100000757444 [1,1,0,0,0,0|2,0,0]=4 12921 B11R0.148 CN(C)CCSCCCCC=O 62a_100000139335_100000755713 [1,1,0,0,0,0|2,0,0]=4 12922 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [1,1,0,0,0,0|2,0,0]=4 12923 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [1,1,0,0,0,0|2,0,0]=4 12924 B11R0.148 CNCCCCCOCC(=O)N 34a_100000722520_100000187820 [1,1,0,0,0,0|2,0,0]=4 12925 B11R0.148 CNCCCCCOCC(=O)[O-] 34a_100000722520_100020667443 [1,1,0,0,0,0|2,0,0]=4 12926 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [1,1,0,0,0,0|2,0,0]=4 12927 B11R0.148 CNCCCOCCCC(=O)N 34a_100000213112_100102525003 [1,1,0,0,0,0|2,0,0]=4 12928 B11R0.148 COCCCCCCCC(C)C 34a_200000210741_200000210301 [1,1,0,0,0,0|1,0,1]=4 12929 B11R0.148 COCCCCCCCC(C)C 7a_200000210741_200000210301 [1,1,0,0,0,0|1,0,1]=4 12930 B11R0.148 COCCCCCNCC(=O)N 2230a_100000747528_100000747473 [1,1,0,0,0,0|2,0,0]=4 12931 B11R0.148 COCCCCCNCC(=O)N 34a_100000747528_100000187820 [1,1,0,0,0,0|2,0,0]=4 12932 B11R0.148 COCCCCCNCC(=O)[O-] 34a_100000747528_100020667443 [1,1,0,0,0,0|2,0,0]=4 12933 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [1,1,0,0,0,0|2,0,0]=4 12934 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [1,1,0,0,0,0|2,0,0]=4 12935 B11R0.148 COCCCCOCCC(=O)N 34a_100000740925_100000731001 [1,1,0,0,0,0|2,0,0]=4 12936 B11R0.148 COCCCCOCCC(=O)N 34a_100000757172_100000755781 [1,1,0,0,0,0|2,0,0]=4 12937 B11R0.148 COCCCCOCCC(=O)N 7a_100000757172_100000730899 [1,1,0,0,0,0|2,0,0]=4 12938 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [1,1,0,0,0,0|2,0,0]=4 12939 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [1,1,0,0,0,0|2,0,0]=4 12940 B11R0.148 COCCCCSCCC(=O)N 62a_100000730899_100000744528 [1,1,0,0,0,0|2,0,0]=4 12941 B11R0.148 COCCCCSCCC(=O)N 62a_100000744528_100000730899 [1,1,0,0,0,0|2,0,0]=4 12942 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [1,1,0,0,0,0|2,0,0]=4 12943 B11R0.148 COCCCNCCCC(=O)N 34a_100000739312_100000740836 [1,1,0,0,0,0|2,0,0]=4 12944 B11R0.148 COCCCNCCCC(=O)N 34a_100150723488_100102525003 [1,1,0,0,0,0|2,0,0]=4 12945 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [1,1,0,0,0,0|2,0,0]=4 12946 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [1,1,0,0,0,0|2,0,0]=4 12947 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [1,1,0,0,0,0|2,0,0]=4 12948 B11R0.148 COCCCOCCCC(=O)N 34a_100000740835_100102525003 [1,1,0,0,0,0|2,0,0]=4 12949 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [1,1,0,0,0,0|2,0,0]=4 12950 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [1,1,0,0,0,0|2,0,0]=4 12951 B11R0.148 COCCCSCCCC(=O)N 62a_100000709357_100102525003 [1,1,0,0,0,0|2,0,0]=4 12952 B11R0.148 COCCCSCCCC(=O)N 62a_100102525003_100000709357 [1,1,0,0,0,0|2,0,0]=4 12953 B11R0.148 COCCNCCCCC(=O)N 34a_100000696515_100011201679 [1,1,0,0,0,0|2,0,0]=4 12954 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [1,1,0,0,0,0|2,0,0]=4 12955 B11R0.148 COCCOCCCCC(=O)N 34a_100012022536_100011201679 [1,1,0,0,0,0|2,0,0]=4 12956 B11R0.148 COCCOCCCCC(=O)N 7a_100012022536_100000233755 [1,1,0,0,0,0|2,0,0]=4 12957 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [1,1,0,0,0,0|2,0,0]=4 12958 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [1,1,0,0,0,0|2,0,0]=4 12959 B11R0.148 COCSCCCCCC(=O)N 62a_100000766300_100009817443 [1,1,0,0,0,0|2,0,0]=4 12960 B11R0.148 COCSCCCCCC(=O)N 62a_100009817443_100000766300 [1,1,0,0,0,0|2,0,0]=4 12961 B11R0.148 CS(=O)CCCNCCCC=O 2230a_200000753449_200011292268 [1,1,0,0,0,0|2,0,0]=4 12962 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [1,1,0,0,0,0|2,0,0]=4 12963 B11R0.148 CSCCCCOCCC(=O)N 34a_100011217163_100000731001 [1,1,0,0,0,0|2,0,0]=4 12964 B11R0.148 CSCCCCOCCC(=O)N 7a_100011217163_100000744528 [1,1,0,0,0,0|2,0,0]=4 12965 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [1,1,0,0,0,0|2,0,0]=4 12966 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [1,1,0,0,0,0|2,0,0]=4 12967 B11R0.148 CSCCCOCCCC(=O)N 34a_100000690336_100102525003 [1,1,0,0,0,0|2,0,0]=4 12968 B11R0.148 CSCCCOCCCC(=O)N 7a_100000690336_100102525003 [1,1,0,0,0,0|2,0,0]=4 12969 B11R0.148 CSCCNCCCCC(=O)N 34a_100000696515_100000212216 [1,1,0,0,0,0|2,0,0]=4 12970 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [1,1,0,0,0,0|2,0,0]=4 12971 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [1,1,0,0,0,0|2,0,0]=4 12972 B11R0.148 CSCCOCCCCC(=O)N 34a_100012022536_100000212216 [1,1,0,0,0,0|2,0,0]=4 12973 B11R0.148 CSCCOCCCCC(=O)N 7a_100012022536_100000212216 [1,1,0,0,0,0|2,0,0]=4 12974 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [1,1,0,0,0,0|2,0,0]=4 12975 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [1,1,0,0,0,0|2,0,0]=4 12976 B11R0.148 CSCOCCCCCC(=O)N 34a_100000123541_100011218213 [1,1,0,0,0,0|2,0,0]=4 12977 B11R0.148 CSCSCCCCCC(=O)N 62a_100009817443_100011218213 [1,1,0,0,0,0|2,0,0]=4 12978 B11R0.148 CSCSCCCCCC(=O)N 62a_100011218213_100009817443 [1,1,0,0,0,0|2,0,0]=4 12979 B11R0.148 C[C@@H](Cl)COCCCCCCF 34a_100016084084_100015922095 [1,1,0,0,0,0|2,0,0]=4 12980 B11R0.148 C[C@@H](Cl)COCCCCCCO 34a_100016084084_100000766143 [1,1,0,0,0,0|1,0,1]=4 12981 B11R0.148 C[C@@H](N)CCOCCCCCF 34a_100000706166_100000729378 [1,1,0,0,0,0|2,0,0]=4 12982 B11R0.148 C[C@@H](N)CCOCCCCCO 34a_100000706166_100000746330 [1,1,0,0,0,0|1,0,1]=4 12983 B11R0.148 C[C@@H](N)COCCCCCCF 34a_100000737577_100015922095 [1,1,0,0,0,0|2,0,0]=4 12984 B11R0.148 C[C@@H](N)COCCCCCCO 34a_100000737577_100000766143 [1,1,0,0,0,0|1,0,1]=4 12985 B11R0.148 C[C@@H](O)CNCCCCCCO 2230a_100000686447_100009817552 [1,1,0,0,0,0|1,0,1]=4 12986 B11R0.148 C[C@@H](O)CNCCCCCCO 34a_100000686447_100009817552 [1,1,0,0,0,0|1,0,1]=4 12987 B11R0.148 C[C@@H](O)COCCCCCCBr 34a_100011215345_100009817552 [1,1,0,0,0,0|2,0,0]=4 12988 B11R0.148 C[C@@H](O)COCCCCCCBr 7a_100011215345_100009817552 [1,1,0,0,0,0|2,0,0]=4 12989 B11R0.148 C[C@@H](O)COCCCCCCCl 34a_100000766143_100009817552 [1,1,0,0,0,0|2,0,0]=4 12990 B11R0.148 C[C@@H](O)COCCCCCCCl 7a_100000766143_100009817552 [1,1,0,0,0,0|2,0,0]=4 12991 B11R0.148 C[C@@H](O)COCCCCCCF 34a_100000732779_100009817552 [1,1,0,0,0,0|2,0,0]=4 12992 B11R0.148 C[C@@H](O)COCCCCCCF 7a_100000732779_100009817552 [1,1,0,0,0,0|2,0,0]=4 12993 B11R0.148 C[C@@H](O)COCCCCCCN 34a_100000686447_100009817552 [1,1,0,0,0,0|2,0,0]=4 12994 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100000139337_100009817552 [1,1,0,0,0,0|1,0,0]=3 12995 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100009817552_100000139337 [1,1,0,0,0,0|1,0,0]=3 12996 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100009817552_100015922095 [1,1,0,0,0,0|2,0,0]=4 12997 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100015922095_100009817552 [1,1,0,0,0,0|2,0,0]=4 12998 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100000766143_100009817552 [1,1,0,0,0,0|1,0,1]=4 12999 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100009817552_100000766143 [1,1,0,0,0,0|1,0,1]=4 13000 B11R0.148 NC(=O)CCCCCNCCF 34a_100000724931_100009817443 [1,1,0,0,0,0|2,0,0]=4 13001 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [1,1,0,0,0,0|2,0,0]=4 13002 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [1,1,0,0,0,0|2,0,0]=4 13003 B11R0.148 NC(=O)CCCCCOCCBr 34a_100000211926_100009817443 [1,1,0,0,0,0|2,0,0]=4 13004 B11R0.148 NC(=O)CCCCCOCCF 34a_100000123541_100011217306 [1,1,0,0,0,0|2,0,0]=4 13005 B11R0.148 NC(=O)CCCCCOCCF 7a_100000123541_100011217306 [1,1,0,0,0,0|2,0,0]=4 13006 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [1,1,0,0,0,0|2,0,0]=4 13007 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [1,1,0,0,0,0|2,0,0]=4 13008 B11R0.148 NC(=O)CCCCCSCCF 62a_100009817443_100011217306 [1,1,0,0,0,0|2,0,0]=4 13009 B11R0.148 NC(=O)CCCCCSCCF 62a_100011217306_100009817443 [1,1,0,0,0,0|2,0,0]=4 13010 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [1,1,0,0,0,0|2,0,0]=4 13011 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [1,1,0,0,0,0|2,0,0]=4 13012 B11R0.148 NC(=O)CCCCNCCCF 34a_100000696515_100011934791 [1,1,0,0,0,0|2,0,0]=4 13013 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [1,1,0,0,0,0|2,0,0]=4 13014 B11R0.148 NC(=O)CCCCOCCCF 34a_100012022536_100011934791 [1,1,0,0,0,0|2,0,0]=4 13015 B11R0.148 NC(=O)CCCCOCCCF 7a_100012022536_100011934791 [1,1,0,0,0,0|2,0,0]=4 13016 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [1,1,0,0,0,0|2,0,0]=4 13017 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [1,1,0,0,0,0|2,0,0]=4 13018 B11R0.148 NC(=O)CCCNCCCCF 34a_100000739312_100000729493 [1,1,0,0,0,0|2,0,0]=4 13019 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [1,1,0,0,0,0|2,0,0]=4 13020 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [1,1,0,0,0,0|2,0,0]=4 13021 B11R0.148 NC(=O)CCCOCCCCBr 34a_100011216708_100102525003 [1,1,0,0,0,0|2,0,0]=4 13022 B11R0.148 NC(=O)CCCOCCCCCl 34a_100000210776_100102525003 [1,1,0,0,0,0|2,0,0]=4 13023 B11R0.148 NC(=O)CCCOCCCCCl 7a_100000210776_100102525003 [1,1,0,0,0,0|2,0,0]=4 13024 B11R0.148 NC(=O)CCCOCCCCF 34a_100011995726_100102525003 [1,1,0,0,0,0|2,0,0]=4 13025 B11R0.148 NC(=O)CCCOCCCCF 7a_100011995726_100102525003 [1,1,0,0,0,0|2,0,0]=4 13026 B11R0.148 NC(=O)CCCOCCCCI 34a_200012148704_100102525003 [1,1,0,0,0,0|2,0,0]=4 13027 B11R0.148 NC(=O)CCCSCCCCF 62a_100000729493_100102525003 [1,1,0,0,0,0|2,0,0]=4 13028 B11R0.148 NC(=O)CCCSCCCCF 62a_100102525003_100000729493 [1,1,0,0,0,0|2,0,0]=4 13029 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [1,1,0,0,0,0|2,0,0]=4 13030 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [1,1,0,0,0,0|2,0,0]=4 13031 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [1,1,0,0,0,0|2,0,0]=4 13032 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [1,1,0,0,0,0|2,0,0]=4 13033 B11R0.148 NC(=O)CCOCCCCCBr 34a_100000746331_100000731001 [1,1,0,0,0,0|2,0,0]=4 13034 B11R0.148 NC(=O)CCOCCCCCBr 7a_100000746331_100000744528 [1,1,0,0,0,0|2,0,0]=4 13035 B11R0.148 NC(=O)CCOCCCCCCl 34a_100000746330_100000731001 [1,1,0,0,0,0|2,0,0]=4 13036 B11R0.148 NC(=O)CCOCCCCCCl 7a_100000746330_100000744528 [1,1,0,0,0,0|2,0,0]=4 13037 B11R0.148 NC(=O)CCOCCCCCF 34a_100000757172_100000729378 [1,1,0,0,0,0|2,0,0]=4 13038 B11R0.148 NC(=O)CCOCCCCCF 7a_100000757172_100000729378 [1,1,0,0,0,0|2,0,0]=4 13039 B11R0.148 NC(=O)CCOCCCCCI 34a_200012148887_100000731001 [1,1,0,0,0,0|2,0,0]=4 13040 B11R0.148 NC(=O)CCOCCCCCI 7a_200012148887_100000744528 [1,1,0,0,0,0|2,0,0]=4 13041 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [1,1,0,0,0,0|2,0,0]=4 13042 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [1,1,0,0,0,0|2,0,0]=4 13043 B11R0.148 NC(=O)CCSCCCCCF 62a_100000729378_100000744528 [1,1,0,0,0,0|2,0,0]=4 13044 B11R0.148 NC(=O)CCSCCCCCF 62a_100000744528_100000729378 [1,1,0,0,0,0|2,0,0]=4 13045 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [1,1,0,0,0,0|2,0,0]=4 13046 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [1,1,0,0,0,0|2,0,0]=4 13047 B11R0.148 NC(=O)CNCCCCCCF 2230a_100000711301_100015922095 [1,1,0,0,0,0|2,0,0]=4 13048 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [1,1,0,0,0,0|2,0,0]=4 13049 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [1,1,0,0,0,0|2,0,0]=4 13050 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [1,1,0,0,0,0|2,0,0]=4 13051 B11R0.148 NC(=O)COCCCCCCBr 34a_100011215345_100000187820 [1,1,0,0,0,0|2,0,0]=4 13052 B11R0.148 NC(=O)COCCCCCCBr 7a_100011215345_100000187820 [1,1,0,0,0,0|2,0,0]=4 13053 B11R0.148 NC(=O)COCCCCCCCl 34a_100000766143_100000187820 [1,1,0,0,0,0|2,0,0]=4 13054 B11R0.148 NC(=O)COCCCCCCCl 7a_100000766143_100000187820 [1,1,0,0,0,0|2,0,0]=4 13055 B11R0.148 NC(=O)COCCCCCCF 34a_100000732779_100000187820 [1,1,0,0,0,0|2,0,0]=4 13056 B11R0.148 NC(=O)COCCCCCCF 7a_100000732779_100000187820 [1,1,0,0,0,0|2,0,0]=4 13057 B11R0.148 NC(=O)CSCCCCCCF 62a_100000747473_100015922095 [1,1,0,0,0,0|2,0,0]=4 13058 B11R0.148 NC(=O)CSCCCCCCF 62a_100015922095_100000747473 [1,1,0,0,0,0|2,0,0]=4 13059 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [1,1,0,0,0,0|2,0,0]=4 13060 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [1,1,0,0,0,0|2,0,0]=4 13061 B11R0.148 NCCCCCCOCC(=O)N 34a_100000686447_100000187820 [1,1,0,0,0,0|2,0,0]=4 13062 B11R0.148 NCCCCCCOCC(=O)[O-] 34a_100000686447_100020667443 [1,1,0,0,0,0|2,0,0]=4 13063 B11R0.148 NCCCCCOCCC(=O)N 34a_100000762737_100000731001 [1,1,0,0,0,0|2,0,0]=4 13064 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [1,1,0,0,0,0|2,0,0]=4 13065 B11R0.148 NCCOCCCCCC(=O)N 34a_100000210304_100009817443 [1,1,0,0,0,0|2,0,0]=4 13066 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [1,1,0,0,0,0|2,0,0]=4 13067 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [1,1,0,0,0,0|2,0,0]=4 13068 B11R0.148 O=C([O-])CCCCCOCCF 7a_100102619762_100011217306 [1,1,0,0,0,0|2,0,0]=4 13069 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [1,1,0,0,0,0|2,0,0]=4 13070 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [1,1,0,0,0,0|2,0,0]=4 13071 B11R0.148 O=C([O-])COCCCCCCBr 34a_100011215345_100020667443 [1,1,0,0,0,0|2,0,0]=4 13072 B11R0.148 O=C([O-])COCCCCCCCl 34a_100000766143_100020667443 [1,1,0,0,0,0|2,0,0]=4 13073 B11R0.148 O=C([O-])COCCCCCCF 34a_100000732779_100020667443 [1,1,0,0,0,0|2,0,0]=4 13074 B11R0.148 O=C([O-])CSCCCCCCF 62a_100015922095_100020667443 [1,1,0,0,0,0|2,0,0]=4 13075 B11R0.148 O=C([O-])CSCCCCCCF 62a_100020667443_100015922095 [1,1,0,0,0,0|2,0,0]=4 13076 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [1,1,0,0,0,0|2,0,0]=4 13077 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [1,1,0,0,0,0|2,0,0]=4 13078 B11R0.148 O=CCCCCCSCC(F)F 62a_100000139337_100011934356 [1,1,0,0,0,0|2,0,0]=4 13079 B11R0.148 O=CCCCCCSCC(F)F 62a_100011934356_100000139337 [1,1,0,0,0,0|2,0,0]=4 13080 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100000210558_100000184674 [0,2,0,0,0,0|1,0,1]=4 13081 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100011220946_100000210670 [0,2,0,0,0,0|1,0,1]=4 13082 B13R0.2 C#CCC(C)OCCCCCCCC 34a_100000685586_100000210759 [0,2,0,0,0,0|1,0,1]=4 13083 B13R0.2 C#CCC(C)OCCCCCCCC 7a_100000685586_100000210759 [0,2,0,0,0,0|1,0,1]=4 13084 B13R0.2 C#CCCCCCCCC(=O)CCC 1458a_100000087357_100000210303 [0,2,0,0,0,0|1,0,1]=4 13085 B13R0.2 C#CCCCCCCCC(=O)CCC 1458a_100000211992_100153394163 [0,2,0,0,0,0|1,0,1]=4 13086 B13R0.2 C#CCCCCCCCN(C)CCC 2230a_100000747261_100153394163 [0,2,0,0,0,0|1,0,1]=4 13087 B13R0.2 C#CCCCCCCCN(C)CCC 269982a_100000747261_100153394163 [0,2,0,0,0,0|1,0,1]=4 13088 B13R0.2 C#CCCCCCCNC(C)CCC 2230a_100000741246_100012276617 [0,2,0,0,0,0|1,0,1]=4 13089 B13R0.2 C#CCCCCCCOC(C)CCC 34a_100000764384_100012276617 [0,2,0,0,0,0|1,0,1]=4 13090 B13R0.2 C#CCCCCCCOC(C)CCC 34a_100011217361_100000766640 [0,2,0,0,0,0|1,0,1]=4 13091 B13R0.2 C#CCCCCCCOC(C)CCC 7a_100000764384_100012276617 [0,2,0,0,0,0|1,0,1]=4 13092 B13R0.2 C#CCCCCCCOC(C)CCC 7a_100011217361_100000766640 [0,2,0,0,0,0|1,0,1]=4 13093 B13R0.2 C#CCCCCCCSC(C)CCC 62a_100000766640_100012276617 [0,2,0,0,0,0|1,0,1]=4 13094 B13R0.2 C#CCCCCCCSC(C)CCC 62a_100012276617_100000766640 [0,2,0,0,0,0|1,0,1]=4 13095 B13R0.2 C#CCCCCCOCC(C)CCC 34a_100000688023_100012094781 [0,2,0,0,0,0|1,0,1]=4 13096 B13R0.2 C#CCCCCCOCC(C)CCC 34a_100000766912_100011216630 [0,2,0,0,0,0|1,0,1]=4 13097 B13R0.2 C#CCCCCCOCC(C)CCC 7a_100000688023_100012094781 [0,2,0,0,0,0|1,0,1]=4 13098 B13R0.2 C#CCCCCCOCC(C)CCC 7a_100000766912_100011216630 [0,2,0,0,0,0|1,0,1]=4 13099 B13R0.2 C#CCCCCCOC[C@@H](N)CCC 34a_100000732646_100012094781 [0,2,0,0,0,0|1,0,1]=4 13100 B13R0.2 C#CCCCCCSCC(C)CCC 62a_100011216630_100012094781 [0,2,0,0,0,0|1,0,1]=4 13101 B13R0.2 C#CCCCCCSCC(C)CCC 62a_100012094781_100011216630 [0,2,0,0,0,0|1,0,1]=4 13102 B13R0.2 C#CCCCCOCCC(C)CCC 34a_100011217855_100010269958 [0,2,0,0,0,0|1,0,1]=4 13103 B13R0.2 C#CCCCCOCCC(C)CCC 7a_100011217855_100010269958 [0,2,0,0,0,0|1,0,1]=4 13104 B13R0.2 C#CCCCCOCC[C@@H](N)CCC 34a_100015193777_100010269958 [0,2,0,0,0,0|1,0,1]=4 13105 B13R0.2 C#CCCCOCCCC(C)CCC 34a_100011713154_100000695029 [0,2,0,0,0,0|1,0,1]=4 13106 B13R0.2 C#CCCCOCCCC(C)CCC 7a_100011713154_100011215417 [0,2,0,0,0,0|1,0,1]=4 13107 B13R0.2 C#CCN(C)CCCCCCCCC 2230a_100000225692_100011214924 [0,2,0,0,0,0|1,0,1]=4 13108 B13R0.2 C#CCN(C)CCCCCCCCC 2230a_100000232482_100000038162 [0,2,0,0,0,0|1,0,1]=4 13109 B13R0.2 C#CCN(C)CCCCCCCCC 34a_100000225692_100011214924 [0,2,0,0,0,0|1,0,1]=4 13110 B13R0.2 C/C=C/C(C)OCCCCCCCC 34a_200102604097_100000210759 [0,2,0,0,0,0|1,0,1]=4 13111 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210193_100000210670 [0,2,0,0,0,0|1,0,0]=3 13112 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210558_100000210623 [0,2,0,0,0,0|1,0,0]=3 13113 B13R0.2 C=CCC(=O)CCCCCCCCO 1458a_100000210193_100000033203 [0,2,0,0,0,0|1,0,1]=4 13114 B13R0.2 C=CCC(=O)NCCCCCCCC 11a_100000229939_100000210193 [0,2,0,0,0,0|1,0,1]=4 13115 B13R0.2 C=CCC(=O)NCCCCCCCC 1626a_100000229939_100000210193 [0,2,0,0,0,0|1,0,1]=4 13116 B13R0.2 C=CCC(=O)NCCCCCCCC 240690a_100000229939_100000210193 [0,2,0,0,0,0|1,0,1]=4 13117 B13R0.2 C=CCC(=O)NCCCCCCCC 527a_100000229939_100000210193 [0,2,0,0,0,0|1,0,1]=4 13118 B13R0.2 C=CCC(C)COCCCCCC=O 7a_100009832082_100000139337 [0,2,0,0,0,0|0,0,2]=4 13119 B13R0.2 C=CCC(C)COCCCCCCC 34a_100009832082_100000210614 [0,2,0,0,0,0|1,0,0]=3 13120 B13R0.2 C=CCC(C)COCCCCCCC 7a_100009832082_100000210614 [0,2,0,0,0,0|1,0,0]=3 13121 B13R0.2 C=CCC(C)COCCCCCCF 34a_100009832082_100015922095 [0,2,0,0,0,0|2,0,0]=4 13122 B13R0.2 C=CCC(C)COCCCCCCF 7a_100009832082_100015922095 [0,2,0,0,0,0|2,0,0]=4 13123 B13R0.2 C=CCC(C)COCCCCCCO 34a_100009832082_100000766143 [0,2,0,0,0,0|2,0,0]=4 13124 B13R0.2 C=CCC(C)COCCCCCCO 7a_100009832082_100000766143 [0,2,0,0,0,0|2,0,0]=4 13125 B13R0.2 C=CCC(C)COCCOCCCC 34a_100009832082_100000743108 [0,2,0,0,0,0|2,0,0]=4 13126 B13R0.2 C=CCC(C)COCCOCCCC 7a_100009832082_100000743108 [0,2,0,0,0,0|2,0,0]=4 13127 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100000211992_100012355270 [0,2,0,0,0,0|1,0,0]=3 13128 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100011216160_100000210303 [0,2,0,0,0,0|1,0,0]=3 13129 B13R0.2 C=CCCCCCCCC(=O)CCF 1458a_100011216160_100011217306 [0,2,0,0,0,0|1,0,1]=4 13130 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216160_100000211926 [0,2,0,0,0,0|1,0,1]=4 13131 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216618_100012355270 [0,2,0,0,0,0|1,0,1]=4 13132 B13R0.2 C=CCCCCCCCC(=O)COC 1458a_100000210968_100012355270 [0,2,0,0,0,0|1,0,1]=4 13133 B13R0.2 C=CCCCCCCCC(=O)CSC 1458a_100000184570_100012355270 [0,2,0,0,0,0|1,0,1]=4 13134 B13R0.2 C=CCCCCCCCC(=O)NCC 11a_100015525214_100011216160 [0,2,0,0,0,0|1,0,1]=4 13135 B13R0.2 C=CCCCCCCCC(=O)NCC 240690a_100015525214_100011216160 [0,2,0,0,0,0|1,0,1]=4 13136 B13R0.2 C=CCCCCCCCC(=O)NCC 527a_100015525214_100011216160 [0,2,0,0,0,0|1,0,1]=4 13137 B13R0.2 C=CCCCCCCCN(C)CCC 2230a_100000747261_100012355270 [0,2,0,0,0,0|1,0,0]=3 13138 B13R0.2 C=CCCCCCCCN(C)CCC 269982a_100000747261_100012355270 [0,2,0,0,0,0|1,0,0]=3 13139 B13R0.2 C=CCCCCCCCN(C)CCO 2230a_100000210263_100012355270 [0,2,0,0,0,0|2,0,0]=4 13140 B13R0.2 C=CCCCCCCCN(C)CCO 269982a_100000210263_100012355270 [0,2,0,0,0,0|2,0,0]=4 13141 B13R0.2 C=CCCCCCCNC(C)CCC 2230a_100000741246_100011215473 [0,2,0,0,0,0|1,0,0]=3 13142 B13R0.2 C=CCCCCCCN[C@H](C)CCO 2230a_100000706166_100011215473 [0,2,0,0,0,0|2,0,0]=4 13143 B13R0.2 C=CCCCCCCN[C@H](C)CCO 34a_100000706166_100011215473 [0,2,0,0,0,0|2,0,0]=4 13144 B13R0.2 C=CCCCCCCN[C@H](C)COC 2230a_100000764878_100011215473 [0,2,0,0,0,0|2,0,0]=4 13145 B13R0.2 C=CCCCCCCOC(C)CCBr 34a_100012276601_100011215473 [0,2,0,0,0,0|2,0,0]=4 13146 B13R0.2 C=CCCCCCCOC(C)CCC 34a_100000764384_100011215473 [0,2,0,0,0,0|1,0,0]=3 13147 B13R0.2 C=CCCCCCCOC(C)CCC 34a_200011216477_100000766640 [0,2,0,0,0,0|1,0,0]=3 13148 B13R0.2 C=CCCCCCCOC(C)CCC 7a_100000764384_100011215473 [0,2,0,0,0,0|1,0,0]=3 13149 B13R0.2 C=CCCCCCCOC(C)CCC 7a_200011216477_100000766640 [0,2,0,0,0,0|1,0,0]=3 13150 B13R0.2 C=CCCCCCCOC(C)CCO 34a_200011216477_100009893172 [0,2,0,0,0,0|2,0,0]=4 13151 B13R0.2 C=CCCCCCCOC(C)CCO 7a_200011216477_100009893172 [0,2,0,0,0,0|2,0,0]=4 13152 B13R0.2 C=CCCCCCCOC(C)COC 34a_200011216477_100000765312 [0,2,0,0,0,0|2,0,0]=4 13153 B13R0.2 C=CCCCCCCOC(C)COC 7a_200011216477_100000765312 [0,2,0,0,0,0|2,0,0]=4 13154 B13R0.2 C=CCCCCCCO[C@H](C)COC 34a_100011934205_100011215473 [0,2,0,0,0,0|2,0,0]=4 13155 B13R0.2 C=CCCCCCCSC(C)CCO 62a_100009893172_100011215473 [0,2,0,0,0,0|2,0,0]=4 13156 B13R0.2 C=CCCCCCCSC(C)CCO 62a_100011215473_100009893172 [0,2,0,0,0,0|2,0,0]=4 13157 B13R0.2 C=CCCCCCCSC(C)COC 62a_100000765312_100011215473 [0,2,0,0,0,0|2,0,0]=4 13158 B13R0.2 C=CCCCCCCSC(C)COC 62a_100011215473_100000765312 [0,2,0,0,0,0|2,0,0]=4 13159 B13R0.2 C=CCCCCCNCC(O)COC 2230a_100000756049_100000700193 [0,2,0,0,0,0|2,0,0]=4 13160 B13R0.2 C=CCCCCCNCC(O)COC 34a_100000756049_100000700193 [0,2,0,0,0,0|2,0,0]=4 13161 B13R0.2 C=CCCCCCOCC(=O)CCC 7a_100011216702_100000747444 [0,2,0,0,0,0|1,0,1]=4 13162 B13R0.2 C=CCCCCCOCC(C)CCC 34a_100000688023_100000700193 [0,2,0,0,0,0|1,0,0]=3 13163 B13R0.2 C=CCCCCCOCC(C)CCC 34a_100011216702_100011216630 [0,2,0,0,0,0|1,0,0]=3 13164 B13R0.2 C=CCCCCCOCC(C)CCC 7a_100000688023_100000700193 [0,2,0,0,0,0|1,0,0]=3 13165 B13R0.2 C=CCCCCCOCC(C)CCC 7a_100011216702_100011216630 [0,2,0,0,0,0|1,0,0]=3 13166 B13R0.2 C=CCCCCCOCC(C)CCN 34a_106354213184_100000700193 [0,2,0,0,0,0|2,0,0]=4 13167 B13R0.2 C=CCCCCCOCC(N)COC 34a_100000724102_100000700193 [0,2,0,0,0,0|2,0,0]=4 13168 B13R0.2 C=CCCCCCOCC(O)COC 34a_100011216702_100011215053 [0,2,0,0,0,0|2,0,0]=4 13169 B13R0.2 C=CCCCCCOCC(O)COC 7a_100011216702_100011215053 [0,2,0,0,0,0|2,0,0]=4 13170 B13R0.2 C=CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000700193 [0,2,0,0,0,0|1,0,0]=3 13171 B13R0.2 C=CCCCCCSCC(=O)CCC 62a_100000700193_100000747444 [0,2,0,0,0,0|1,0,1]=4 13172 B13R0.2 C=CCCCCCSCC(=O)CCC 62a_100000747444_100000700193 [0,2,0,0,0,0|1,0,1]=4 13173 B13R0.2 C=CCCCCCSCC(C)CCC 62a_100000700193_100011216630 [0,2,0,0,0,0|1,0,0]=3 13174 B13R0.2 C=CCCCCCSCC(C)CCC 62a_100011216630_100000700193 [0,2,0,0,0,0|1,0,0]=3 13175 B13R0.2 C=CCCCCCSCC(O)COC 62a_100000700193_100011215053 [0,2,0,0,0,0|2,0,0]=4 13176 B13R0.2 C=CCCCCCSCC(O)COC 62a_100011215053_100000700193 [0,2,0,0,0,0|2,0,0]=4 13177 B13R0.2 C=CCCCCOCCC(C)CCC 34a_100011217855_100011215482 [0,2,0,0,0,0|1,0,0]=3 13178 B13R0.2 C=CCCCCOCCC(C)CCC 7a_100011217855_100011215482 [0,2,0,0,0,0|1,0,0]=3 13179 B13R0.2 C=CCCCCOCC[C@@H](N)CCC 34a_100015193777_100011215482 [0,2,0,0,0,0|1,0,0]=3 13180 B13R0.2 C=CCCCOCCCC(C)CCC 34a_100011713154_100000757094 [0,2,0,0,0,0|1,0,0]=3 13181 B13R0.2 C=CCCCOCCCC(C)CCC 7a_100011713154_100000757094 [0,2,0,0,0,0|1,0,0]=3 13182 B13R0.2 C=CCN(C)CCCCCCCCC 2230a_100000225617_100011214924 [0,2,0,0,0,0|1,0,0]=3 13183 B13R0.2 C=CCN(C)CCCCCCCCC 2230a_100000232482_100000210623 [0,2,0,0,0,0|1,0,0]=3 13184 B13R0.2 C=CCN(C)CCCCCCCCC 269982a_100000225617_100000210670 [0,2,0,0,0,0|1,0,0]=3 13185 B13R0.2 C=CCN(C)CCCCCCCCC 269982a_100000232482_100000210623 [0,2,0,0,0,0|1,0,0]=3 13186 B13R0.2 C=CCN(C)CCCCCCCCO 2230a_100000225617_100000033203 [0,2,0,0,0,0|2,0,0]=4 13187 B13R0.2 C=CCN(C)CCCCCCCCO 269982a_100000225617_100000033203 [0,2,0,0,0,0|2,0,0]=4 13188 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 34a_100000731007_100000210759 [0,2,0,0,0,0|1,0,0]=3 13189 B13R0.2 C=CC[C@@H](C)OCCCCCCCC 7a_100000731007_100000210759 [0,2,0,0,0,0|1,0,0]=3 13190 B13R0.2 C=CC[C@@H](C)OCCCCCCCO 34a_100000731007_100000760002 [0,2,0,0,0,0|2,0,0]=4 13191 B13R0.2 C=CC[C@@H](C)OCCCCCCCO 7a_100000731007_100000760002 [0,2,0,0,0,0|2,0,0]=4 13192 B13R0.2 C=CC[C@@H](C)OCCCCCCOC 34a_100000731007_100011998445 [0,2,0,0,0,0|2,0,0]=4 13193 B13R0.2 C=CC[C@@H](C)OCCCCCCOC 7a_100000731007_100011998445 [0,2,0,0,0,0|2,0,0]=4 13194 B13R0.2 C=CC[C@@H](N)COCCCCCCC 34a_100020615467_100000210614 [0,2,0,0,0,0|1,0,0]=3 13195 B13R0.2 C=CC[C@@H](N)COCCCCCCF 34a_100020615467_100015922095 [0,2,0,0,0,0|2,0,0]=4 13196 B13R0.2 C=CC[C@@H](N)COCCCCCCO 34a_100020615467_100000766143 [0,2,0,0,0,0|2,0,0]=4 13197 B13R0.2 C=CC[C@@H](N)COCCOCCCC 34a_100020615467_100000743108 [0,2,0,0,0,0|2,0,0]=4 13198 B13R0.2 C=COCCCCOCC(C)CCC 34a_100000031558_100011216630 [0,2,0,0,0,0|2,0,0]=4 13199 B13R0.2 C=COCCCCOCC(C)CCC 7a_100000031558_100011216630 [0,2,0,0,0,0|2,0,0]=4 13200 B13R0.2 C=COCCOCCCC(C)CCC 34a_100011713154_100000039644 [0,2,0,0,0,0|2,0,0]=4 13201 B13R0.2 C=COCCOCCCC(C)CCC 7a_100011713154_100000039644 [0,2,0,0,0,0|2,0,0]=4 13202 B13R0.2 CC=CC(=O)CCCCCCCCC 1458a_100000210699_100000210670 [0,2,0,0,0,0|1,0,1]=4 13203 B13R0.2 CCCC(=O)CCCCCCCCO 1458a_100000211992_100000033203 [0,2,0,0,0,0|0,0,2]=4 13204 B13R0.2 CCCC(=O)CSCCCCCC=O 62a_100000139337_100000747444 [0,2,0,0,0,0|0,0,1]=3 13205 B13R0.2 CCCC(=O)CSCCCCCC=O 62a_100000747444_100000139337 [0,2,0,0,0,0|0,0,1]=3 13206 B13R0.2 CCCC(=O)OCSCCCCC=O 62a_100000139335_100000034017 [0,2,0,0,0,0|1,0,1]=4 13207 B13R0.2 CCCC(C)CCCOCCCC#N 7a_100011713154_100000687738 [0,2,0,0,0,0|1,0,1]=4 13208 B13R0.2 CCCC(C)CCCOCCCC=O 7a_100011713154_200011292268 [0,2,0,0,0,0|0,0,0]=2 13209 B13R0.2 CCCC(C)CCCOCCCCF 34a_100011713154_100000729493 [0,2,0,0,0,0|1,0,1]=4 13210 B13R0.2 CCCC(C)CCCOCCCCF 7a_100011713154_100000729493 [0,2,0,0,0,0|1,0,1]=4 13211 B13R0.2 CCCC(C)CCCOCCCCO 34a_100011713154_100011216708 [0,2,0,0,0,0|0,0,2]=4 13212 B13R0.2 CCCC(C)CCCOCCCCO 7a_100011713154_100000210776 [0,2,0,0,0,0|0,0,2]=4 13213 B13R0.2 CCCC(C)CCCOCCCOC 34a_100011713154_100000740836 [0,2,0,0,0,0|2,0,0]=4 13214 B13R0.2 CCCC(C)CCCOCCCOC 7a_100011713154_100000740836 [0,2,0,0,0,0|2,0,0]=4 13215 B13R0.2 CCCC(C)CCOCCCCC#N 7a_100011217855_100000211819 [0,2,0,0,0,0|1,0,1]=4 13216 B13R0.2 CCCC(C)CCOCCCCC=O 7a_100011217855_100000139335 [0,2,0,0,0,0|0,0,0]=2 13217 B13R0.2 CCCC(C)CCOCCCCCF 34a_100011217855_100000729378 [0,2,0,0,0,0|1,0,1]=4 13218 B13R0.2 CCCC(C)CCOCCCCCF 7a_100011217855_100000729378 [0,2,0,0,0,0|1,0,1]=4 13219 B13R0.2 CCCC(C)CCOCCCCCO 34a_100011217855_100000746330 [0,2,0,0,0,0|0,0,2]=4 13220 B13R0.2 CCCC(C)CCOCCCCCO 7a_100011217855_100000746330 [0,2,0,0,0,0|0,0,2]=4 13221 B13R0.2 CCCC(C)CCOCCCCOC 34a_100011217855_100000755781 [0,2,0,0,0,0|2,0,0]=4 13222 B13R0.2 CCCC(C)CCOCCCCOC 7a_100011217855_100000730899 [0,2,0,0,0,0|2,0,0]=4 13223 B13R0.2 CCCC(C)CNCCCCCC#N 270004a_100000061152_100000243154 [0,2,0,0,0,0|1,0,1]=4 13224 B13R0.2 CCCC(C)CNCCCCCCO 2230a_100000686447_100011216630 [0,2,0,0,0,0|0,0,2]=4 13225 B13R0.2 CCCC(C)CNCCCCCCO 270004a_100000686447_100000243154 [0,2,0,0,0,0|0,0,2]=4 13226 B13R0.2 CCCC(C)CNCCCCCCO 34a_100000686447_100011216630 [0,2,0,0,0,0|0,0,2]=4 13227 B13R0.2 CCCC(C)CNCCCCCOC 2230a_100000747528_100011216630 [0,2,0,0,0,0|2,0,0]=4 13228 B13R0.2 CCCC(C)CNCCCCCOC 270004a_100000747528_100000243154 [0,2,0,0,0,0|2,0,0]=4 13229 B13R0.2 CCCC(C)CNCCCCCOC 34a_100000747528_100011216630 [0,2,0,0,0,0|2,0,0]=4 13230 B13R0.2 CCCC(C)COCCCCCC#N 7a_100000688023_100009813376 [0,2,0,0,0,0|1,0,1]=4 13231 B13R0.2 CCCC(C)COCCCCCC=O 7a_100000688023_100000139337 [0,2,0,0,0,0|0,0,0]=2 13232 B13R0.2 CCCC(C)COCCCCCCBr 34a_100011215345_100011216630 [0,2,0,0,0,0|1,0,1]=4 13233 B13R0.2 CCCC(C)COCCCCCCBr 7a_100011215345_100011216630 [0,2,0,0,0,0|1,0,1]=4 13234 B13R0.2 CCCC(C)COCCCCCCCl 34a_100000766143_100011216630 [0,2,0,0,0,0|1,0,1]=4 13235 B13R0.2 CCCC(C)COCCCCCCCl 7a_100000766143_100011216630 [0,2,0,0,0,0|1,0,1]=4 13236 B13R0.2 CCCC(C)COCCCCCCF 34a_100000688023_100015922095 [0,2,0,0,0,0|1,0,1]=4 13237 B13R0.2 CCCC(C)COCCCCCCF 34a_100000732779_100011216630 [0,2,0,0,0,0|1,0,1]=4 13238 B13R0.2 CCCC(C)COCCCCCCF 7a_100000688023_100015922095 [0,2,0,0,0,0|1,0,1]=4 13239 B13R0.2 CCCC(C)COCCCCCCF 7a_100000732779_100011216630 [0,2,0,0,0,0|1,0,1]=4 13240 B13R0.2 CCCC(C)COCCCCCCN 34a_100000686447_100011216630 [0,2,0,0,0,0|1,0,1]=4 13241 B13R0.2 CCCC(C)COCCCCCCO 34a_100000688023_100000766143 [0,2,0,0,0,0|0,0,2]=4 13242 B13R0.2 CCCC(C)COCCCCCCO 7a_100000688023_100000766143 [0,2,0,0,0,0|0,0,2]=4 13243 B13R0.2 CCCC(C)COCCCCCNC 34a_100000722520_100011216630 [0,2,0,0,0,0|2,0,0]=4 13244 B13R0.2 CCCC(C)CSCCCCCC#N 62a_100009813376_100011216630 [0,2,0,0,0,0|1,0,1]=4 13245 B13R0.2 CCCC(C)CSCCCCCC#N 62a_100011216630_100009813376 [0,2,0,0,0,0|1,0,1]=4 13246 B13R0.2 CCCC(C)CSCCCCCC=O 62a_100000139337_100011216630 [0,2,0,0,0,0|0,0,0]=2 13247 B13R0.2 CCCC(C)CSCCCCCC=O 62a_100011216630_100000139337 [0,2,0,0,0,0|0,0,0]=2 13248 B13R0.2 CCCC(C)CSCCCCCCF 62a_100011216630_100015922095 [0,2,0,0,0,0|1,0,1]=4 13249 B13R0.2 CCCC(C)CSCCCCCCF 62a_100015922095_100011216630 [0,2,0,0,0,0|1,0,1]=4 13250 B13R0.2 CCCC(C)CSCCCCCCO 62a_100000766143_100011216630 [0,2,0,0,0,0|0,0,2]=4 13251 B13R0.2 CCCC(C)CSCCCCCCO 62a_100011216630_100000766143 [0,2,0,0,0,0|0,0,2]=4 13252 B13R0.2 CCCC(C)NCCCCCCC#N 2230a_100000741246_100009813337 [0,2,0,0,0,0|1,0,1]=4 13253 B13R0.2 CCCC(C)NCCCCCCCO 2230a_100000741246_100000760002 [0,2,0,0,0,0|0,0,2]=4 13254 B13R0.2 CCCC(C)NCCCCCCCO 2230a_100011996573_100000766640 [0,2,0,0,0,0|0,0,2]=4 13255 B13R0.2 CCCC(C)NCCCCCCCO 270004a_100011996573_100000211909 [0,2,0,0,0,0|0,0,2]=4 13256 B13R0.2 CCCC(C)NCCCCCCCO 34a_100011996573_100000766640 [0,2,0,0,0,0|0,0,2]=4 13257 B13R0.2 CCCC(C)NCCCCCCOC 2230a_100000741246_100011998445 [0,2,0,0,0,0|2,0,0]=4 13258 B13R0.2 CCCC(C)OCCCCCCC#N 7a_100000764384_100009813337 [0,2,0,0,0,0|1,0,1]=4 13259 B13R0.2 CCCC(C)OCCCCCCCBr 34a_100000760002_100000766640 [0,2,0,0,0,0|1,0,1]=4 13260 B13R0.2 CCCC(C)OCCCCCCCBr 7a_100000760002_100000766640 [0,2,0,0,0,0|1,0,1]=4 13261 B13R0.2 CCCC(C)OCCCCCCCN 34a_100011996573_100000766640 [0,2,0,0,0,0|1,0,1]=4 13262 B13R0.2 CCCC(C)OCCCCCCCO 34a_100000764384_100000760002 [0,2,0,0,0,0|0,0,2]=4 13263 B13R0.2 CCCC(C)OCCCCCCCO 7a_100000764384_100000760002 [0,2,0,0,0,0|0,0,2]=4 13264 B13R0.2 CCCC(C)OCCCCCCOC 34a_100000764384_100011998445 [0,2,0,0,0,0|2,0,0]=4 13265 B13R0.2 CCCC(C)OCCCCCCOC 34a_200012092642_100000766640 [0,2,0,0,0,0|2,0,0]=4 13266 B13R0.2 CCCC(C)OCCCCCCOC 7a_100000764384_100011998445 [0,2,0,0,0,0|2,0,0]=4 13267 B13R0.2 CCCC(C)OCCCCCCOC 7a_200012092642_100000766640 [0,2,0,0,0,0|2,0,0]=4 13268 B13R0.2 CCCC(C)SCCCCCCC#N 62a_100000766640_100009813337 [0,2,0,0,0,0|1,0,1]=4 13269 B13R0.2 CCCC(C)SCCCCCCC#N 62a_100009813337_100000766640 [0,2,0,0,0,0|1,0,1]=4 13270 B13R0.2 CCCC(C)SCCCCCCCO 62a_100000760002_100000766640 [0,2,0,0,0,0|0,0,2]=4 13271 B13R0.2 CCCC(C)SCCCCCCCO 62a_100000766640_100000760002 [0,2,0,0,0,0|0,0,2]=4 13272 B13R0.2 CCCC(C)SCCCCCCOC 62a_100000766640_100011998445 [0,2,0,0,0,0|2,0,0]=4 13273 B13R0.2 CCCC(C)SCCCCCCOC 62a_100011998445_100000766640 [0,2,0,0,0,0|2,0,0]=4 13274 B13R0.2 CCCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210670 [0,2,0,0,0,0|1,0,1]=4 13275 B13R0.2 CCCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210670 [0,2,0,0,0,0|1,0,1]=4 13276 B13R0.2 CCCCCCCCCC(=O)C=CI 1458a_100016256311_100000210670 [0,2,0,0,0,0|1,0,1]=4 13277 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100000210558_100011214920 [0,2,0,0,0,0|1,0,1]=4 13278 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210670 [0,2,0,0,0,0|1,0,1]=4 13279 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000210558_100000210303 [0,2,0,0,0,0|1,0,1]=4 13280 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000211992_100000210670 [0,2,0,0,0,0|1,0,1]=4 13281 B13R0.2 CCCCCCCCCC(=O)CCF 1458a_100000210558_100011217306 [0,2,0,0,0,0|1,0,1]=4 13282 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [0,2,0,0,0,0|0,0,2]=4 13283 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [0,2,0,0,0,0|0,0,2]=4 13284 B13R0.2 CCCCCCCCCC(=O)COC 1458a_100000210968_100000210670 [0,2,0,0,0,0|2,0,0]=4 13285 B13R0.2 CCCCCCCCCC(=O)CSC 1458a_100000184570_100000210670 [0,2,0,0,0,0|2,0,0]=4 13286 B13R0.2 CCCCCCCCCC(C)CNC 270004a_106832991635_200011218516 [0,2,0,0,0,0|1,0,1]=4 13287 B13R0.2 CCCCCCCCCC(C)NCC 270004a_100015525214_100011215753 [0,2,0,0,0,0|1,0,1]=4 13288 B13R0.2 CCCCCCCCCC(C)OCC 34a_100011218016_100000210202 [0,2,0,0,0,0|1,0,1]=4 13289 B13R0.2 CCCCCCCCCC(C)OCC 7a_100011218016_100000210202 [0,2,0,0,0,0|1,0,1]=4 13290 B13R0.2 CCCCCCCCCC(C)OCF 34a_100011218016_100015361967 [0,2,0,0,0,0|1,0,1]=4 13291 B13R0.2 CCCCCCCCCC(C)OCF 7a_100011218016_100015361967 [0,2,0,0,0,0|1,0,1]=4 13292 B13R0.2 CCCCCCCCCN(C)CC#N 2230a_100000232482_100011215382 [0,2,0,0,0,0|1,0,1]=4 13293 B13R0.2 CCCCCCCCCN(C)CC#N 2230a_100000748184_100011214924 [0,2,0,0,0,0|1,0,1]=4 13294 B13R0.2 CCCCCCCCCN(C)CC#N 269982a_100000232482_100011214920 [0,2,0,0,0,0|1,0,1]=4 13295 B13R0.2 CCCCCCCCCN(C)CC=O 2230a_100000232482_200015260668 [0,2,0,0,0,0|0,0,0]=2 13296 B13R0.2 CCCCCCCCCN(C)CC=O 269982a_100000232482_200015260668 [0,2,0,0,0,0|0,0,0]=2 13297 B13R0.2 CCCCCCCCCN(C)CCC 2230a_100000232482_100000210303 [0,2,0,0,0,0|1,0,1]=4 13298 B13R0.2 CCCCCCCCCN(C)CCC 2230a_100000747261_100011214924 [0,2,0,0,0,0|1,0,1]=4 13299 B13R0.2 CCCCCCCCCN(C)CCC 269982a_100000232482_100000210303 [0,2,0,0,0,0|1,0,1]=4 13300 B13R0.2 CCCCCCCCCN(C)CCC 269982a_100000747261_100000210670 [0,2,0,0,0,0|1,0,1]=4 13301 B13R0.2 CCCCCCCCCN(C)CCF 2230a_100000232482_100011217306 [0,2,0,0,0,0|1,0,1]=4 13302 B13R0.2 CCCCCCCCCN(C)CCF 269982a_100000232482_100011217306 [0,2,0,0,0,0|1,0,1]=4 13303 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000210263_100011214924 [0,2,0,0,0,0|0,0,2]=4 13304 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000232482_100000211926 [0,2,0,0,0,0|0,0,2]=4 13305 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000210263_100000210670 [0,2,0,0,0,0|0,0,2]=4 13306 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000232482_100000211926 [0,2,0,0,0,0|0,0,2]=4 13307 B13R0.2 CCCCCCCCCN(C)COC 2230a_100000232482_100000766300 [0,2,0,0,0,0|2,0,0]=4 13308 B13R0.2 CCCCCCCCCN(C)COC 269982a_100000232482_100000766300 [0,2,0,0,0,0|2,0,0]=4 13309 B13R0.2 CCCCCCCCCN(C)CSC 2230a_100000232482_100011218213 [0,2,0,0,0,0|2,0,0]=4 13310 B13R0.2 CCCCCCCCCN(C)CSC 269982a_100000232482_100011218213 [0,2,0,0,0,0|2,0,0]=4 13311 B13R0.2 CCCCCCCCNC(C)CC#N 2230a_100000229939_100009813641 [0,2,0,0,0,0|1,0,1]=4 13312 B13R0.2 CCCCCCCCNC(C)CCC 2230a_100000229939_100000766640 [0,2,0,0,0,0|1,0,1]=4 13313 B13R0.2 CCCCCCCCNC(C)CCC 2230a_100000741246_100000210759 [0,2,0,0,0,0|1,0,1]=4 13314 B13R0.2 CCCCCCCCNC(C)CCC 270004a_100000229939_100000211909 [0,2,0,0,0,0|1,0,1]=4 13315 B13R0.2 CCCCCCCCNC(C)CCC 34a_100000229939_100000766640 [0,2,0,0,0,0|1,0,1]=4 13316 B13R0.2 CCCCCCCCNC(C)CCO 2230a_100000229939_100009893172 [0,2,0,0,0,0|0,0,2]=4 13317 B13R0.2 CCCCCCCCNC(C)CCO 34a_100000229939_100009893172 [0,2,0,0,0,0|0,0,2]=4 13318 B13R0.2 CCCCCCCCNC(C)COC 2230a_100000229939_100000765312 [0,2,0,0,0,0|2,0,0]=4 13319 B13R0.2 CCCCCCCCNC(C)COC 270004a_100000229939_100000749346 [0,2,0,0,0,0|2,0,0]=4 13320 B13R0.2 CCCCCCCCNC(C)COC 34a_100000229939_100000765312 [0,2,0,0,0,0|2,0,0]=4 13321 B13R0.2 CCCCCCCCNC(C)CSC 270004a_100000229939_100011216314 [0,2,0,0,0,0|2,0,0]=4 13322 B13R0.2 CCCCCCCCN[C@@H](C)CC#N 2230a_100016994482_100000210759 [0,2,0,0,0,0|1,0,1]=4 13323 B13R0.2 CCCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210759 [0,2,0,0,0,0|0,0,2]=4 13324 B13R0.2 CCCCCCCCN[C@H](C)CCO 34a_100000706166_100000210759 [0,2,0,0,0,0|0,0,2]=4 13325 B13R0.2 CCCCCCCCN[C@H](C)COC 2230a_100000764878_100000210759 [0,2,0,0,0,0|2,0,0]=4 13326 B13R0.2 CCCCCCCCOC(C)CC#N 7a_100000210232_100009813641 [0,2,0,0,0,0|1,0,1]=4 13327 B13R0.2 CCCCCCCCOC(C)CCBr 34a_100012276601_100000210759 [0,2,0,0,0,0|1,0,1]=4 13328 B13R0.2 CCCCCCCCOC(C)CCC 34a_100000210232_100000766640 [0,2,0,0,0,0|1,0,1]=4 13329 B13R0.2 CCCCCCCCOC(C)CCC 34a_100000764384_100000210759 [0,2,0,0,0,0|1,0,1]=4 13330 B13R0.2 CCCCCCCCOC(C)CCC 7a_100000210232_100000766640 [0,2,0,0,0,0|1,0,1]=4 13331 B13R0.2 CCCCCCCCOC(C)CCC 7a_100000764384_100000210759 [0,2,0,0,0,0|1,0,1]=4 13332 B13R0.2 CCCCCCCCOC(C)CCO 34a_100000210232_100009893172 [0,2,0,0,0,0|0,0,2]=4 13333 B13R0.2 CCCCCCCCOC(C)CCO 7a_100000210232_100009893172 [0,2,0,0,0,0|0,0,2]=4 13334 B13R0.2 CCCCCCCCOC(C)COC 34a_100000210232_100000765312 [0,2,0,0,0,0|2,0,0]=4 13335 B13R0.2 CCCCCCCCOC(C)COC 7a_100000210232_100000765312 [0,2,0,0,0,0|2,0,0]=4 13336 B13R0.2 CCCCCCCCO[C@H](C)COC 34a_100011934205_100000210759 [0,2,0,0,0,0|2,0,0]=4 13337 B13R0.2 CCCCCCCCSC(C)CC#N 62a_100000210759_100009813641 [0,2,0,0,0,0|1,0,1]=4 13338 B13R0.2 CCCCCCCCSC(C)CC#N 62a_100009813641_100000210317 [0,2,0,0,0,0|1,0,1]=4 13339 B13R0.2 CCCCCCCCSC(C)CCO 62a_100000210759_100009893172 [0,2,0,0,0,0|0,0,2]=4 13340 B13R0.2 CCCCCCCCSC(C)CCO 62a_100009893172_100000210317 [0,2,0,0,0,0|0,0,2]=4 13341 B13R0.2 CCCCCCCCSC(C)COC 62a_100000210759_100000765312 [0,2,0,0,0,0|2,0,0]=4 13342 B13R0.2 CCCCCCCCSC(C)COC 62a_100000765312_100000210317 [0,2,0,0,0,0|2,0,0]=4 13343 B13R0.2 CCCCCCCNCC(C)CCC 2230a_100000229938_100011216630 [0,2,0,0,0,0|1,0,1]=4 13344 B13R0.2 CCCCCCCNCC(C)CCC 270004a_100000229938_100000243154 [0,2,0,0,0,0|1,0,1]=4 13345 B13R0.2 CCCCCCCNCC(O)COC 2230a_100000756049_100000210681 [0,2,0,0,0,0|2,0,0]=4 13346 B13R0.2 CCCCCCCNCC(O)COC 34a_100000756049_100000210614 [0,2,0,0,0,0|2,0,0]=4 13347 B13R0.2 CCCCCCCNC[C@@H](O)CC#N 2230a_100000229938_100000001066 [0,2,0,0,0,0|1,0,1]=4 13348 B13R0.2 CCCCCCCOCC(C)CCC 34a_100000210272_100011216630 [0,2,0,0,0,0|1,0,1]=4 13349 B13R0.2 CCCCCCCOCC(C)CCC 34a_100000688023_100000210614 [0,2,0,0,0,0|1,0,1]=4 13350 B13R0.2 CCCCCCCOCC(C)CCC 7a_100000210272_100011216630 [0,2,0,0,0,0|1,0,1]=4 13351 B13R0.2 CCCCCCCOCC(C)CCC 7a_100000688023_100000210614 [0,2,0,0,0,0|1,0,1]=4 13352 B13R0.2 CCCCCCCOCC(C)CCN 34a_106354213184_100000210614 [0,2,0,0,0,0|1,0,1]=4 13353 B13R0.2 CCCCCCCOCC(N)COC 34a_100000724102_100000210614 [0,2,0,0,0,0|2,0,0]=4 13354 B13R0.2 CCCCCCCOCC(O)COC 34a_100000210272_100011215053 [0,2,0,0,0,0|2,0,0]=4 13355 B13R0.2 CCCCCCCOCC(O)COC 7a_100000210272_100011215053 [0,2,0,0,0,0|2,0,0]=4 13356 B13R0.2 CCCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210614 [0,2,0,0,0,0|1,0,1]=4 13357 B13R0.2 CCCCCCCOC[C@@H](O)CC#N 7a_100000210272_100000001066 [0,2,0,0,0,0|1,0,1]=4 13358 B13R0.2 CCCCCCCSCC(O)COC 62a_100000210614_100011215053 [0,2,0,0,0,0|2,0,0]=4 13359 B13R0.2 CCCCCCCSCC(O)COC 62a_100011215053_100000210316 [0,2,0,0,0,0|2,0,0]=4 13360 B13R0.2 CCCCCCCSC[C@@H](O)CC#N 62a_100000001066_100000210316 [0,2,0,0,0,0|1,0,1]=4 13361 B13R0.2 CCCCCCCSC[C@@H](O)CC#N 62a_100000210614_100000001066 [0,2,0,0,0,0|1,0,1]=4 13362 B13R0.2 CCCCCCOCCC(C)CCC 34a_100011217855_100000210314 [0,2,0,0,0,0|1,0,1]=4 13363 B13R0.2 CCCCCCOCCC(C)CCC 7a_100011217855_100000210314 [0,2,0,0,0,0|1,0,1]=4 13364 B13R0.2 CCCCCCOCC[C@@H](N)CCC 34a_100015193777_100000210314 [0,2,0,0,0,0|1,0,1]=4 13365 B13R0.2 CCCCCOCCCC(C)CCC 34a_100011713154_100000718602 [0,2,0,0,0,0|1,0,1]=4 13366 B13R0.2 CCCCCOCCCC(C)CCC 7a_100011713154_100000210326 [0,2,0,0,0,0|1,0,1]=4 13367 B13R0.2 CCCN(C)CCCCCCCCO 2230a_100000747261_100000033203 [0,2,0,0,0,0|0,0,2]=4 13368 B13R0.2 CCCN(C)CCCCCCCCO 269982a_100000747261_100000033203 [0,2,0,0,0,0|0,0,2]=4 13369 B13R0.2 CCC[C@H](N)CCOCCCCCF 34a_100015193777_100000729378 [0,2,0,0,0,0|1,0,1]=4 13370 B13R0.2 CCC[C@H](N)CCOCCCCCO 34a_100015193777_100000746330 [0,2,0,0,0,0|0,0,2]=4 13371 B13R0.2 CCC[C@H](N)CCOCCCCOC 34a_100015193777_100000755781 [0,2,0,0,0,0|2,0,0]=4 13372 B13R0.2 CCC[C@H](N)COCCCCCCF 34a_100000732646_100015922095 [0,2,0,0,0,0|1,0,1]=4 13373 B13R0.2 CCC[C@H](N)COCCCCCCO 34a_100000732646_100000766143 [0,2,0,0,0,0|0,0,2]=4 13374 B13R0.2 CCNC(=O)CCSCCCCC=O 62a_100000139335_100000737597 [0,2,0,0,0,0|1,0,1]=4 13375 B13R0.2 CCNC(=O)CCSCCCCC=O 62a_100000737597_100000139335 [0,2,0,0,0,0|1,0,1]=4 13376 B13R0.2 CCNC(=O)CNCCCCCC=O 2230a_100016988866_100000139337 [0,2,0,0,0,0|1,0,1]=4 13377 B13R0.2 CCNC(=O)CSCCCCCC=O 62a_100000139337_100000183381 [0,2,0,0,0,0|1,0,1]=4 13378 B13R0.2 CCNC(=O)CSCCCCCC=O 62a_100000183381_100000139337 [0,2,0,0,0,0|1,0,1]=4 13379 B13R0.2 CCOC(=O)CCCCCOCC=O 7a_100011214988_200015260668 [0,2,0,0,0,0|1,0,1]=4 13380 B13R0.2 CCOC(=O)CCCCCSCC=O 62a_100000755133_200015260668 [0,2,0,0,0,0|1,0,1]=4 13381 B13R0.2 CCOC(=O)CCCCCSCC=O 62a_200015260668_100000755133 [0,2,0,0,0,0|1,0,1]=4 13382 B13R0.2 CCOC(=O)CCCOCCCC=O 7a_100012001163_200011292268 [0,2,0,0,0,0|1,0,1]=4 13383 B13R0.2 CCOC(=O)CCCSCCCC=O 62a_100009991533_200011292268 [0,2,0,0,0,0|1,0,1]=4 13384 B13R0.2 CCOC(=O)CCCSCCCC=O 62a_200011292268_100009991533 [0,2,0,0,0,0|1,0,1]=4 13385 B13R0.2 CCOC(=O)CCSCCCCC=O 62a_100000139335_100000765890 [0,2,0,0,0,0|1,0,1]=4 13386 B13R0.2 CCOC(=O)CCSCCCCC=O 62a_100000765890_100000139335 [0,2,0,0,0,0|1,0,1]=4 13387 B13R0.2 CCOC(=O)CSCCCCCC=O 62a_100000139337_100000188475 [0,2,0,0,0,0|1,0,1]=4 13388 B13R0.2 CCOC(=O)CSCCCCCC=O 62a_100000188475_100000139337 [0,2,0,0,0,0|1,0,1]=4 13389 B13R0.2 COCC(O)CNCCCCCC=O 2230a_100000756049_100000139337 [0,2,0,0,0,0|1,0,0]=3 13390 B13R0.2 COCC(O)CSCCCCCC=O 62a_100000139337_100011215053 [0,2,0,0,0,0|1,0,0]=3 13391 B13R0.2 COCC(O)CSCCCCCC=O 62a_100011215053_100000139337 [0,2,0,0,0,0|1,0,0]=3 13392 B13R0.2 N#CC[C@H](O)CSCCCCCC=O 62a_100000001066_100000139337 [0,2,0,0,0,0|1,0,1]=4 13393 B13R0.2 N#CC[C@H](O)CSCCCCCC=O 62a_100000139337_100000001066 [0,2,0,0,0,0|1,0,1]=4 13394 B13R0.66 C#CCCC(=O)CCCCCCCC 1458a_100000210188_100000753159 [0,2,0,0,0,0|1,0,1]=4 13395 B13R0.66 C#CCCC(=O)CCCCCCCC 1458a_100000692101_100000210759 [0,2,0,0,0,0|1,0,1]=4 13396 B13R0.66 C#CCCCCCCC(=O)CCCC 1458a_100000034748_100000210211 [0,2,0,0,0,0|1,0,1]=4 13397 B13R0.66 C#CCCCCCCC(=O)CCCC 1458a_100000210183_100012276617 [0,2,0,0,0,0|1,0,1]=4 13398 B13R0.66 C#CCCCCCCN(C)CCCC 2230a_100000207549_100012276617 [0,2,0,0,0,0|1,0,1]=4 13399 B13R0.66 C#CCCCCCCN(C)CCCC 269982a_100000207549_100012276617 [0,2,0,0,0,0|1,0,1]=4 13400 B13R0.66 C#CCCCCCNC(C)CCCC 2230a_100000126638_100012094781 [0,2,0,0,0,0|1,0,1]=4 13401 B13R0.66 C#CCCCCCOC(C)CCCC 34a_100000687866_100012094781 [0,2,0,0,0,0|1,0,1]=4 13402 B13R0.66 C#CCCCCCOC(C)CCCC 34a_100000766912_200011215066 [0,2,0,0,0,0|1,0,1]=4 13403 B13R0.66 C#CCCCCCOC(C)CCCC 7a_100000687866_100012094781 [0,2,0,0,0,0|1,0,1]=4 13404 B13R0.66 C#CCCCCCOC(C)CCCC 7a_100000766912_200011215066 [0,2,0,0,0,0|1,0,1]=4 13405 B13R0.66 C#CCCCCCSC(C)CCCC 62a_100012094781_200011215066 [0,2,0,0,0,0|1,0,1]=4 13406 B13R0.66 C#CCCCCCSC(C)CCCC 62a_200011215066_100012094781 [0,2,0,0,0,0|1,0,1]=4 13407 B13R0.66 C#CCCCCOCC(C)CCCC 34a_100011995851_100010269958 [0,2,0,0,0,0|1,0,1]=4 13408 B13R0.66 C#CCCCCOCC(C)CCCC 7a_100011995851_100010269958 [0,2,0,0,0,0|1,0,1]=4 13409 B13R0.66 C#CCCCCOC[C@@H](N)CCCC 34a_100011934283_100010269958 [0,2,0,0,0,0|1,0,1]=4 13410 B13R0.66 C#CCCN(C)CCCCCCCC 2230a_100000207567_100000688953 [0,2,0,0,0,0|1,0,1]=4 13411 B13R0.66 C#CCCN(C)CCCCCCCC 269982a_100000207567_100000730999 [0,2,0,0,0,0|1,0,1]=4 13412 B13R0.66 C#CCOC(C)CCCCCCCC 34a_100000210740_100000184674 [0,2,0,0,0,0|1,0,1]=4 13413 B13R0.66 C#CCOC(C)CCCCCCCC 7a_100000210740_100000038162 [0,2,0,0,0,0|1,0,1]=4 13414 B13R0.66 C#CCOCCCCC(C)CCCC 34a_200011021034_100000184674 [0,2,0,0,0,0|1,0,1]=4 13415 B13R0.66 C#CCOCCCCC(C)CCCC 7a_200011021034_100000038162 [0,2,0,0,0,0|1,0,1]=4 13416 B13R0.66 C/C=C/CC(=O)CCCCCCCC 1458a_100000210188_100102629194 [0,2,0,0,0,0|1,0,1]=4 13417 B13R0.66 C/C=C/CN(C)CCCCCCCC 269982a_100000207567_100102629194 [0,2,0,0,0,0|1,0,1]=4 13418 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000210188_100000754431 [0,2,0,0,0,0|1,0,0]=3 13419 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000749702_100000210759 [0,2,0,0,0,0|1,0,0]=3 13420 B13R0.66 C=CCCC(=O)CCCCCCCO 1458a_100000749702_100000760002 [0,2,0,0,0,0|1,0,1]=4 13421 B13R0.66 C=CCCC(=O)CCCCCCCO 1458a_100011219782_100000754431 [0,2,0,0,0,0|1,0,1]=4 13422 B13R0.66 C=CCCC(=O)CCCCCCOC 1458a_100000749702_100011998445 [0,2,0,0,0,0|1,0,1]=4 13423 B13R0.66 C=CCCC(=O)NCCCCCCC 11a_100000229938_100000749702 [0,2,0,0,0,0|1,0,1]=4 13424 B13R0.66 C=CCCC(=O)NCCCCCCC 1626a_100000229938_100000749702 [0,2,0,0,0,0|1,0,1]=4 13425 B13R0.66 C=CCCC(=O)NCCCCCCC 240690a_100000229938_100000749702 [0,2,0,0,0,0|1,0,1]=4 13426 B13R0.66 C=CCCC(=O)NCCCCCCC 527a_100000229938_100000749702 [0,2,0,0,0,0|1,0,1]=4 13427 B13R0.66 C=CCCC(C)NCCCCCCC 270004a_100000229938_100000762624 [0,2,0,0,0,0|1,0,0]=3 13428 B13R0.66 C=CCCC(C)NCCCCCCO 270004a_100000686447_100000762624 [0,2,0,0,0,0|2,0,0]=4 13429 B13R0.66 C=CCCC(C)NCCCCCOC 270004a_100000747528_100000762624 [0,2,0,0,0,0|2,0,0]=4 13430 B13R0.66 C=CCCC(C)NCCCOCCC 270004a_100011217757_100000762624 [0,2,0,0,0,0|2,0,0]=4 13431 B13R0.66 C=CCCC(C)NCCSCCCC 270004a_100025743550_100000762624 [0,2,0,0,0,0|2,0,0]=4 13432 B13R0.66 C=CCCC(C)OCCCCCC=O 7a_100000765329_100000139337 [0,2,0,0,0,0|0,0,2]=4 13433 B13R0.66 C=CCCC(C)OCCCCCCC 34a_100000765329_100000210614 [0,2,0,0,0,0|1,0,0]=3 13434 B13R0.66 C=CCCC(C)OCCCCCCC 7a_100000765329_100000210614 [0,2,0,0,0,0|1,0,0]=3 13435 B13R0.66 C=CCCC(C)OCCCCCCF 34a_100000765329_100015922095 [0,2,0,0,0,0|2,0,0]=4 13436 B13R0.66 C=CCCC(C)OCCCCCCF 7a_100000765329_100015922095 [0,2,0,0,0,0|2,0,0]=4 13437 B13R0.66 C=CCCC(C)OCCCCCCO 34a_100000765329_100000766143 [0,2,0,0,0,0|2,0,0]=4 13438 B13R0.66 C=CCCC(C)OCCCCCCO 7a_100000765329_100000766143 [0,2,0,0,0,0|2,0,0]=4 13439 B13R0.66 C=CCCC(C)OCCOCCCC 34a_100000765329_100000743108 [0,2,0,0,0,0|2,0,0]=4 13440 B13R0.66 C=CCCC(C)OCCOCCCC 7a_100000765329_100000743108 [0,2,0,0,0,0|2,0,0]=4 13441 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100000210183_100011215473 [0,2,0,0,0,0|1,0,0]=3 13442 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100011809334_100000210211 [0,2,0,0,0,0|1,0,0]=3 13443 B13R0.66 C=CCCCCCCC(=O)CCCF 1458a_100011809334_100011934791 [0,2,0,0,0,0|1,0,1]=4 13444 B13R0.66 C=CCCCCCCC(=O)CCCO 1458a_100011809334_100011215043 [0,2,0,0,0,0|1,0,1]=4 13445 B13R0.66 C=CCCCCCCC(=O)CCOC 1458a_100000749529_100011215473 [0,2,0,0,0,0|1,0,1]=4 13446 B13R0.66 C=CCCCCCCC(=O)CCOC 1458a_100011809334_100000233755 [0,2,0,0,0,0|1,0,1]=4 13447 B13R0.66 C=CCCCCCCC(=O)CCSC 1458a_100000174002_100011215473 [0,2,0,0,0,0|1,0,1]=4 13448 B13R0.66 C=CCCCCCCC(=O)CCSC 1458a_100011809334_100000751147 [0,2,0,0,0,0|1,0,1]=4 13449 B13R0.66 C=CCCCCCCC(=O)COCC 1458a_100000211967_100011215473 [0,2,0,0,0,0|1,0,1]=4 13450 B13R0.66 C=CCCCCCCC(=O)CSCC 1458a_100000230394_100011215473 [0,2,0,0,0,0|1,0,1]=4 13451 B13R0.66 C=CCCCCCCC(=O)NCCC 11a_100020643023_100011809334 [0,2,0,0,0,0|1,0,1]=4 13452 B13R0.66 C=CCCCCCCC(=O)NCCC 1626a_100020643023_100011809334 [0,2,0,0,0,0|1,0,1]=4 13453 B13R0.66 C=CCCCCCCC(=O)NCCC 240690a_100020643023_100011809334 [0,2,0,0,0,0|1,0,1]=4 13454 B13R0.66 C=CCCCCCCC(=O)NCCC 527a_100020643023_100011809334 [0,2,0,0,0,0|1,0,1]=4 13455 B13R0.66 C=CCCCCCCN(C)CCCC 2230a_100000207549_100011215473 [0,2,0,0,0,0|1,0,0]=3 13456 B13R0.66 C=CCCCCCCN(C)CCCC 269982a_100000207549_100011215473 [0,2,0,0,0,0|1,0,0]=3 13457 B13R0.66 C=CCCCCCCN(C)CCCO 2230a_100000213112_100011215473 [0,2,0,0,0,0|2,0,0]=4 13458 B13R0.66 C=CCCCCCCN(C)CCCO 269982a_100000213112_100011215473 [0,2,0,0,0,0|2,0,0]=4 13459 B13R0.66 C=CCCCCCCN(C)CCOC 2230a_100000743101_100011215473 [0,2,0,0,0,0|2,0,0]=4 13460 B13R0.66 C=CCCCCCCN(C)CCOC 269982a_100000743101_100011215473 [0,2,0,0,0,0|2,0,0]=4 13461 B13R0.66 C=CCCCCCCN(C)CCSC 2230a_100000686725_100011215473 [0,2,0,0,0,0|2,0,0]=4 13462 B13R0.66 C=CCCCCCCN(C)CCSC 269982a_100000686725_100011215473 [0,2,0,0,0,0|2,0,0]=4 13463 B13R0.66 C=CCCCCCNC(C)CCCC 2230a_100000126638_100000700193 [0,2,0,0,0,0|1,0,0]=3 13464 B13R0.66 C=CCCCCCOC(C)CCCC 34a_100000687866_100000700193 [0,2,0,0,0,0|1,0,0]=3 13465 B13R0.66 C=CCCCCCOC(C)CCCC 34a_100011216702_200011215066 [0,2,0,0,0,0|1,0,0]=3 13466 B13R0.66 C=CCCCCCOC(C)CCCC 7a_100000687866_100000700193 [0,2,0,0,0,0|1,0,0]=3 13467 B13R0.66 C=CCCCCCOC(C)CCCC 7a_100011216702_200011215066 [0,2,0,0,0,0|1,0,0]=3 13468 B13R0.66 C=CCCCCCOC(C)CCCCl 34a_200000718107_100000700193 [0,2,0,0,0,0|2,0,0]=4 13469 B13R0.66 C=CCCCCCOC(C)CCCCl 7a_200000718107_100000700193 [0,2,0,0,0,0|2,0,0]=4 13470 B13R0.66 C=CCCCCCOC(C)COCC 34a_100000718985_100000700193 [0,2,0,0,0,0|2,0,0]=4 13471 B13R0.66 C=CCCCCCOC(C)COCC 7a_100000718985_100000700193 [0,2,0,0,0,0|2,0,0]=4 13472 B13R0.66 C=CCCCCNCC(C)OCCC 2230a_100015185124_100011215482 [0,2,0,0,0,0|2,0,0]=4 13473 B13R0.66 C=CCCCCNCC(C)OCCC 34a_100015185124_100011215482 [0,2,0,0,0,0|2,0,0]=4 13474 B13R0.66 C=CCCCCNCC(O)COCC 2230a_102515437182_100011215482 [0,2,0,0,0,0|2,0,0]=4 13475 B13R0.66 C=CCCCCNCC(O)COCC 34a_102515437182_100011215482 [0,2,0,0,0,0|2,0,0]=4 13476 B13R0.66 C=CCCCCNC[C@H](C)CCCO 2230a_100160569302_100011215482 [0,2,0,0,0,0|2,0,0]=4 13477 B13R0.66 C=CCCCCNC[C@H](C)CCCO 34a_100160569302_100011215482 [0,2,0,0,0,0|2,0,0]=4 13478 B13R0.66 C=CCCCCOCC(C)CCCC 34a_100011995851_100011215482 [0,2,0,0,0,0|1,0,0]=3 13479 B13R0.66 C=CCCCCOCC(C)CCCC 7a_100011995851_100011215482 [0,2,0,0,0,0|1,0,0]=3 13480 B13R0.66 C=CCCCCOC[C@@H](N)CCCC 34a_100011934283_100011215482 [0,2,0,0,0,0|1,0,0]=3 13481 B13R0.66 C=CCCCCOC[C@@H](N)CCSC 34a_100011827619_100011215482 [0,2,0,0,0,0|2,0,0]=4 13482 B13R0.66 C=CCCN(C)CCCCCCCC 2230a_100000207567_100000754431 [0,2,0,0,0,0|1,0,0]=3 13483 B13R0.66 C=CCCN(C)CCCCCCCC 2230a_100020639649_100000210759 [0,2,0,0,0,0|1,0,0]=3 13484 B13R0.66 C=CCCN(C)CCCCCCCC 269982a_100000207567_100000754431 [0,2,0,0,0,0|1,0,0]=3 13485 B13R0.66 C=CCCN(C)CCCCCCCC 269982a_100020639649_100000210759 [0,2,0,0,0,0|1,0,0]=3 13486 B13R0.66 C=CCCN(C)CCCCCCCO 2230a_100020639649_100000760002 [0,2,0,0,0,0|2,0,0]=4 13487 B13R0.66 C=CCCN(C)CCCCCCCO 269982a_100020639649_100000760002 [0,2,0,0,0,0|2,0,0]=4 13488 B13R0.66 C=CCCN(C)CCCCCCOC 2230a_100020639649_100011998445 [0,2,0,0,0,0|2,0,0]=4 13489 B13R0.66 C=CCCN(C)CCCCCCOC 269982a_100020639649_100011998445 [0,2,0,0,0,0|2,0,0]=4 13490 B13R0.66 C=CCNC(=O)CCCCCCCC 1626a_100020586998_100000210188 [0,2,0,0,0,0|1,0,1]=4 13491 B13R0.66 C=CCNC(=O)CCCCCCCC 240690a_100020586998_100000210188 [0,2,0,0,0,0|1,0,1]=4 13492 B13R0.66 C=CCNC(=O)CCCCCCCC 527a_100020586998_100000210188 [0,2,0,0,0,0|1,0,1]=4 13493 B13R0.66 C=CCNC(C)CCCCCCCC 270004a_100020586998_100011216694 [0,2,0,0,0,0|1,0,0]=3 13494 B13R0.66 C=CCOC(C)CCCCCCCC 34a_100000210740_100015514636 [0,2,0,0,0,0|1,0,0]=3 13495 B13R0.66 C=CCOC(C)CCCCCCCC 7a_100000210740_100015514636 [0,2,0,0,0,0|1,0,0]=3 13496 B13R0.66 C=CCOCCCCC(C)CCCC 34a_200011021034_100015514636 [0,2,0,0,0,0|1,0,0]=3 13497 B13R0.66 C=CCOCCCCC(C)CCCC 7a_200011021034_100015514636 [0,2,0,0,0,0|1,0,0]=3 13498 B13R0.66 C=COCCCCOC(C)CCCC 34a_100000031558_200011215066 [0,2,0,0,0,0|2,0,0]=4 13499 B13R0.66 C=COCCCCOC(C)CCCC 7a_100000031558_200011215066 [0,2,0,0,0,0|2,0,0]=4 13500 B13R0.66 CC(CCCCl)OCCCCCC=O 7a_200000718107_100000139337 [0,2,0,0,0,0|1,0,0]=3 13501 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100000210188_100000070051 [0,2,0,0,0,0|1,0,1]=4 13502 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100121576822_100000210759 [0,2,0,0,0,0|1,0,1]=4 13503 B13R0.66 CC=CCN(C)CCCCCCCC 2230a_100000207567_100000070051 [0,2,0,0,0,0|1,0,1]=4 13504 B13R0.66 CCC#CC(C)OCCCCCC=O 7a_100000033903_100000139337 [0,2,0,0,0,0|0,0,2]=4 13505 B13R0.66 CCCCC(=O)CCCCCCC#N 1458a_100000210183_100009813337 [0,2,0,0,0,0|1,0,1]=4 13506 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100000210183_100000760002 [0,2,0,0,0,0|0,0,2]=4 13507 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100011219782_100000210211 [0,2,0,0,0,0|0,0,2]=4 13508 B13R0.66 CCCCC(=O)CCCCCCOC 1458a_100000210183_100011998445 [0,2,0,0,0,0|2,0,0]=4 13509 B13R0.66 CCCCC(C)CCCCOCC#N 7a_200011021034_100011215382 [0,2,0,0,0,0|1,0,1]=4 13510 B13R0.66 CCCCC(C)CCCCOCC=O 34a_200011021034_200009817547 [0,2,0,0,0,0|0,0,0]=2 13511 B13R0.66 CCCCC(C)CCCCOCC=O 7a_200011021034_200015260668 [0,2,0,0,0,0|0,0,0]=2 13512 B13R0.66 CCCCC(C)CCCCOCCC 34a_200011021034_100000210303 [0,2,0,0,0,0|1,0,1]=4 13513 B13R0.66 CCCCC(C)CCCCOCCC 7a_200011021034_100000210303 [0,2,0,0,0,0|1,0,1]=4 13514 B13R0.66 CCCCC(C)CCCCOCCF 34a_200011021034_100011217306 [0,2,0,0,0,0|1,0,1]=4 13515 B13R0.66 CCCCC(C)CCCCOCCF 7a_200011021034_100011217306 [0,2,0,0,0,0|1,0,1]=4 13516 B13R0.66 CCCCC(C)CCCCOCCO 34a_200011021034_100000211926 [0,2,0,0,0,0|0,0,2]=4 13517 B13R0.66 CCCCC(C)CCCCOCCO 7a_200011021034_100000211926 [0,2,0,0,0,0|0,0,2]=4 13518 B13R0.66 CCCCC(C)CCCCOCSC 34a_200011021034_100011218213 [0,2,0,0,0,0|2,0,0]=4 13519 B13R0.66 CCCCC(C)COCCCCC#N 7a_100011995851_100000211819 [0,2,0,0,0,0|1,0,1]=4 13520 B13R0.66 CCCCC(C)COCCCCC=O 7a_100011995851_100000139335 [0,2,0,0,0,0|0,0,0]=2 13521 B13R0.66 CCCCC(C)COCCCCCF 34a_100011995851_100000729378 [0,2,0,0,0,0|1,0,1]=4 13522 B13R0.66 CCCCC(C)COCCCCCF 7a_100011995851_100000729378 [0,2,0,0,0,0|1,0,1]=4 13523 B13R0.66 CCCCC(C)COCCCCCO 34a_100011995851_100000746330 [0,2,0,0,0,0|0,0,2]=4 13524 B13R0.66 CCCCC(C)COCCCCCO 7a_100011995851_100000746330 [0,2,0,0,0,0|0,0,2]=4 13525 B13R0.66 CCCCC(C)COCCCCOC 34a_100011995851_100000755781 [0,2,0,0,0,0|2,0,0]=4 13526 B13R0.66 CCCCC(C)COCCCCOC 7a_100011995851_100000730899 [0,2,0,0,0,0|2,0,0]=4 13527 B13R0.66 CCCCC(C)NCCCCCC#N 2230a_100000126638_100009813376 [0,2,0,0,0,0|1,0,1]=4 13528 B13R0.66 CCCCC(C)NCCCCCC#N 270004a_100000061152_100000210087 [0,2,0,0,0,0|1,0,1]=4 13529 B13R0.66 CCCCC(C)NCCCCCC=O 2230a_100000126638_100000139337 [0,2,0,0,0,0|0,0,0]=2 13530 B13R0.66 CCCCC(C)NCCCCCCF 2230a_100000126638_100015922095 [0,2,0,0,0,0|1,0,1]=4 13531 B13R0.66 CCCCC(C)NCCCCCCO 2230a_100000126638_100000766143 [0,2,0,0,0,0|0,0,2]=4 13532 B13R0.66 CCCCC(C)NCCCCCCO 2230a_100000686447_200011215066 [0,2,0,0,0,0|0,0,2]=4 13533 B13R0.66 CCCCC(C)NCCCCCCO 270004a_100000686447_100000210087 [0,2,0,0,0,0|0,0,2]=4 13534 B13R0.66 CCCCC(C)NCCCCCCO 34a_100000686447_200011215066 [0,2,0,0,0,0|0,0,2]=4 13535 B13R0.66 CCCCC(C)NCCCCCOC 2230a_100000747528_200011215066 [0,2,0,0,0,0|2,0,0]=4 13536 B13R0.66 CCCCC(C)NCCCCCOC 270004a_100000747528_100000210087 [0,2,0,0,0,0|2,0,0]=4 13537 B13R0.66 CCCCC(C)NCCCCCOC 34a_100000747528_200011215066 [0,2,0,0,0,0|2,0,0]=4 13538 B13R0.66 CCCCC(C)OCCCCCC#N 7a_100000687866_100009813376 [0,2,0,0,0,0|1,0,1]=4 13539 B13R0.66 CCCCC(C)OCCCCCC=O 7a_100000687866_100000139337 [0,2,0,0,0,0|0,0,0]=2 13540 B13R0.66 CCCCC(C)OCCCCCCBr 34a_100011215345_200011215066 [0,2,0,0,0,0|1,0,1]=4 13541 B13R0.66 CCCCC(C)OCCCCCCBr 7a_100011215345_200011215066 [0,2,0,0,0,0|1,0,1]=4 13542 B13R0.66 CCCCC(C)OCCCCCCCl 34a_100000766143_200011215066 [0,2,0,0,0,0|1,0,1]=4 13543 B13R0.66 CCCCC(C)OCCCCCCCl 7a_100000766143_200011215066 [0,2,0,0,0,0|1,0,1]=4 13544 B13R0.66 CCCCC(C)OCCCCCCF 34a_100000687866_100015922095 [0,2,0,0,0,0|1,0,1]=4 13545 B13R0.66 CCCCC(C)OCCCCCCF 34a_100000732779_200011215066 [0,2,0,0,0,0|1,0,1]=4 13546 B13R0.66 CCCCC(C)OCCCCCCF 7a_100000687866_100015922095 [0,2,0,0,0,0|1,0,1]=4 13547 B13R0.66 CCCCC(C)OCCCCCCF 7a_100000732779_200011215066 [0,2,0,0,0,0|1,0,1]=4 13548 B13R0.66 CCCCC(C)OCCCCCCN 34a_100000686447_200011215066 [0,2,0,0,0,0|1,0,1]=4 13549 B13R0.66 CCCCC(C)OCCCCCCO 34a_100000687866_100000766143 [0,2,0,0,0,0|0,0,2]=4 13550 B13R0.66 CCCCC(C)OCCCCCCO 7a_100000687866_100000766143 [0,2,0,0,0,0|0,0,2]=4 13551 B13R0.66 CCCCC(C)OCCCCCNC 34a_100000722520_200011215066 [0,2,0,0,0,0|2,0,0]=4 13552 B13R0.66 CCCCC(C)SCCCCCC#N 62a_100009813376_200011215066 [0,2,0,0,0,0|1,0,1]=4 13553 B13R0.66 CCCCC(C)SCCCCCC#N 62a_200011215066_100009813376 [0,2,0,0,0,0|1,0,1]=4 13554 B13R0.66 CCCCC(C)SCCCCCC=O 62a_100000139337_200011215066 [0,2,0,0,0,0|0,0,0]=2 13555 B13R0.66 CCCCC(C)SCCCCCC=O 62a_200011215066_100000139337 [0,2,0,0,0,0|0,0,0]=2 13556 B13R0.66 CCCCC(C)SCCCCCCF 62a_100015922095_200011215066 [0,2,0,0,0,0|1,0,1]=4 13557 B13R0.66 CCCCC(C)SCCCCCCF 62a_200011215066_100015922095 [0,2,0,0,0,0|1,0,1]=4 13558 B13R0.66 CCCCC(C)SCCCCCCO 62a_100000766143_200011215066 [0,2,0,0,0,0|0,0,2]=4 13559 B13R0.66 CCCCC(C)SCCCCCCO 62a_200011215066_100000766143 [0,2,0,0,0,0|0,0,2]=4 13560 B13R0.66 CCCCCCCCC(=O)CCC#N 1458a_100000210188_100011215226 [0,2,0,0,0,0|1,0,1]=4 13561 B13R0.66 CCCCCCCCC(=O)CCC#N 1458a_100011934036_100000210759 [0,2,0,0,0,0|1,0,1]=4 13562 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210183_100000210759 [0,2,0,0,0,0|1,0,1]=4 13563 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210188_100000210211 [0,2,0,0,0,0|1,0,1]=4 13564 B13R0.66 CCCCCCCCC(=O)CCCF 1458a_100000210188_100011934791 [0,2,0,0,0,0|1,0,1]=4 13565 B13R0.66 CCCCCCCCC(=O)CCCO 1458a_100000210188_100011215043 [0,2,0,0,0,0|0,0,2]=4 13566 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000210188_100000233755 [0,2,0,0,0,0|2,0,0]=4 13567 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000749529_100000210759 [0,2,0,0,0,0|2,0,0]=4 13568 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000174002_100000210759 [0,2,0,0,0,0|2,0,0]=4 13569 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000210188_100000751147 [0,2,0,0,0,0|2,0,0]=4 13570 B13R0.66 CCCCCCCCC(C)CNCC 270004a_100015525214_100011995885 [0,2,0,0,0,0|1,0,1]=4 13571 B13R0.66 CCCCCCCCC(C)COCC 34a_200012125181_100000210202 [0,2,0,0,0,0|1,0,1]=4 13572 B13R0.66 CCCCCCCCC(C)COCC 7a_200012125181_100000210202 [0,2,0,0,0,0|1,0,1]=4 13573 B13R0.66 CCCCCCCCC(C)COCF 34a_200012125181_100015361967 [0,2,0,0,0,0|1,0,1]=4 13574 B13R0.66 CCCCCCCCC(C)COCF 7a_200012125181_100015361967 [0,2,0,0,0,0|1,0,1]=4 13575 B13R0.66 CCCCCCCCC(C)NCCC 270004a_100020643023_100011216694 [0,2,0,0,0,0|1,0,1]=4 13576 B13R0.66 CCCCCCCCC(C)NCCO 270004a_100000210304_100011216694 [0,2,0,0,0,0|0,0,2]=4 13577 B13R0.66 CCCCCCCCC(C)OCC#N 7a_100000210740_100011215382 [0,2,0,0,0,0|1,0,1]=4 13578 B13R0.66 CCCCCCCCC(C)OCC=O 34a_100000210740_200009817547 [0,2,0,0,0,0|0,0,0]=2 13579 B13R0.66 CCCCCCCCC(C)OCC=O 7a_100000210740_200015260668 [0,2,0,0,0,0|0,0,0]=2 13580 B13R0.66 CCCCCCCCC(C)OCCC 34a_100000210740_100000210303 [0,2,0,0,0,0|1,0,1]=4 13581 B13R0.66 CCCCCCCCC(C)OCCC 7a_100000210740_100000210303 [0,2,0,0,0,0|1,0,1]=4 13582 B13R0.66 CCCCCCCCC(C)OCCF 34a_100000210740_100011217306 [0,2,0,0,0,0|1,0,1]=4 13583 B13R0.66 CCCCCCCCC(C)OCCF 7a_100000210740_100011217306 [0,2,0,0,0,0|1,0,1]=4 13584 B13R0.66 CCCCCCCCC(C)OCCO 34a_100000210740_100000211926 [0,2,0,0,0,0|0,0,2]=4 13585 B13R0.66 CCCCCCCCC(C)OCCO 7a_100000210740_100000211926 [0,2,0,0,0,0|0,0,2]=4 13586 B13R0.66 CCCCCCCCC(C)OCSC 34a_100000210740_100011218213 [0,2,0,0,0,0|2,0,0]=4 13587 B13R0.66 CCCCCCCCN(C)CCC#N 2230a_100000184479_100000210759 [0,2,0,0,0,0|1,0,1]=4 13588 B13R0.66 CCCCCCCCN(C)CCC#N 2230a_100000207567_100011215226 [0,2,0,0,0,0|1,0,1]=4 13589 B13R0.66 CCCCCCCCN(C)CCC#N 2230a_200000208009_200000210301 [0,2,0,0,0,0|1,0,1]=4 13590 B13R0.66 CCCCCCCCN(C)CCC#N 269982a_100000207567_100011215226 [0,2,0,0,0,0|1,0,1]=4 13591 B13R0.66 CCCCCCCCN(C)CCCC 2230a_100000207549_100000210759 [0,2,0,0,0,0|1,0,1]=4 13592 B13R0.66 CCCCCCCCN(C)CCCC 2230a_100000207567_100000210211 [0,2,0,0,0,0|1,0,1]=4 13593 B13R0.66 CCCCCCCCN(C)CCCC 269982a_100000207549_100000210759 [0,2,0,0,0,0|1,0,1]=4 13594 B13R0.66 CCCCCCCCN(C)CCCC 269982a_100000207567_100000210211 [0,2,0,0,0,0|1,0,1]=4 13595 B13R0.66 CCCCCCCCN(C)CCCF 2230a_100000207567_100011934791 [0,2,0,0,0,0|1,0,1]=4 13596 B13R0.66 CCCCCCCCN(C)CCCF 269982a_100000207567_100011934791 [0,2,0,0,0,0|1,0,1]=4 13597 B13R0.66 CCCCCCCCN(C)CCCO 2230a_100000207567_100000230001 [0,2,0,0,0,0|0,0,2]=4 13598 B13R0.66 CCCCCCCCN(C)CCCO 2230a_100000213112_100000210759 [0,2,0,0,0,0|0,0,2]=4 13599 B13R0.66 CCCCCCCCN(C)CCCO 269982a_100000207567_100011215043 [0,2,0,0,0,0|0,0,2]=4 13600 B13R0.66 CCCCCCCCN(C)CCCO 269982a_100000213112_100000210759 [0,2,0,0,0,0|0,0,2]=4 13601 B13R0.66 CCCCCCCCN(C)CCOC 2230a_100000207567_100011201679 [0,2,0,0,0,0|2,0,0]=4 13602 B13R0.66 CCCCCCCCN(C)CCOC 2230a_100000743101_100000210759 [0,2,0,0,0,0|2,0,0]=4 13603 B13R0.66 CCCCCCCCN(C)CCOC 269982a_100000207567_100000233755 [0,2,0,0,0,0|2,0,0]=4 13604 B13R0.66 CCCCCCCCN(C)CCOC 269982a_100000743101_100000210759 [0,2,0,0,0,0|2,0,0]=4 13605 B13R0.66 CCCCCCCCN(C)CCSC 2230a_100000207567_100000751147 [0,2,0,0,0,0|2,0,0]=4 13606 B13R0.66 CCCCCCCCN(C)CCSC 2230a_100000686725_100000210759 [0,2,0,0,0,0|2,0,0]=4 13607 B13R0.66 CCCCCCCCN(C)CCSC 269982a_100000207567_100000212216 [0,2,0,0,0,0|2,0,0]=4 13608 B13R0.66 CCCCCCCCN(C)CCSC 269982a_100000686725_100000210759 [0,2,0,0,0,0|2,0,0]=4 13609 B13R0.66 CCCCCCCCN([13CH3])CCC#N 2230a_200000208009_200025704644 [0,2,0,0,0,0|1,0,1]=4 13610 B13R0.66 CCCCCCCNC(C)CCCC 2230a_100000126638_100000210681 [0,2,0,0,0,0|1,0,1]=4 13611 B13R0.66 CCCCCCCNC(C)CCCC 2230a_100000229938_200011215066 [0,2,0,0,0,0|1,0,1]=4 13612 B13R0.66 CCCCCCCNC(C)CCCC 270004a_100000229938_100000210087 [0,2,0,0,0,0|1,0,1]=4 13613 B13R0.66 CCCCCCCNC(C)CCOC 270004a_100000229938_100000742357 [0,2,0,0,0,0|2,0,0]=4 13614 B13R0.66 CCCCCCCNC(C)CCSC 270004a_100000229938_100011217047 [0,2,0,0,0,0|2,0,0]=4 13615 B13R0.66 CCCCCCCOC(C)CCCC 34a_100000210272_200011215066 [0,2,0,0,0,0|1,0,1]=4 13616 B13R0.66 CCCCCCCOC(C)CCCC 34a_100000687866_100000210614 [0,2,0,0,0,0|1,0,1]=4 13617 B13R0.66 CCCCCCCOC(C)CCCC 7a_100000210272_200011215066 [0,2,0,0,0,0|1,0,1]=4 13618 B13R0.66 CCCCCCCOC(C)CCCC 7a_100000687866_100000210614 [0,2,0,0,0,0|1,0,1]=4 13619 B13R0.66 CCCCCCCOC(C)CCCCl 34a_200000718107_100000210614 [0,2,0,0,0,0|1,0,1]=4 13620 B13R0.66 CCCCCCCOC(C)CCCCl 7a_200000718107_100000210614 [0,2,0,0,0,0|1,0,1]=4 13621 B13R0.66 CCCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210314 [0,2,0,0,0,0|0,0,2]=4 13622 B13R0.66 CCCCCCNC[C@H](C)CCCO 34a_100160569302_100000210314 [0,2,0,0,0,0|0,0,2]=4 13623 B13R0.66 CCCCCCOCC(C)CCCC 34a_100011995851_100000210314 [0,2,0,0,0,0|1,0,1]=4 13624 B13R0.66 CCCCCCOCC(C)CCCC 7a_100011995851_100000210314 [0,2,0,0,0,0|1,0,1]=4 13625 B13R0.66 CCCCCCOC[C@@H](N)CCCC 34a_100011934283_100000210314 [0,2,0,0,0,0|1,0,1]=4 13626 B13R0.66 CCCCCCOC[C@@H](N)CCSC 34a_100011827619_100000210314 [0,2,0,0,0,0|2,0,0]=4 13627 B13R0.66 CCCCN(C)CCCCCCC#N 2230a_100000207549_100009813337 [0,2,0,0,0,0|1,0,1]=4 13628 B13R0.66 CCCCN(C)CCCCCCC#N 269982a_100000207549_100009813337 [0,2,0,0,0,0|1,0,1]=4 13629 B13R0.66 CCCCN(C)CCCCCCCO 2230a_100000207549_100000760002 [0,2,0,0,0,0|0,0,2]=4 13630 B13R0.66 CCCCN(C)CCCCCCCO 269982a_100000207549_100000760002 [0,2,0,0,0,0|0,0,2]=4 13631 B13R0.66 CCCCN(C)CCCCCCOC 2230a_100000207549_100011998445 [0,2,0,0,0,0|2,0,0]=4 13632 B13R0.66 CCCCN(C)CCCCCCOC 269982a_100000207549_100011998445 [0,2,0,0,0,0|2,0,0]=4 13633 B13R0.66 CCCC[C@H](N)COCCCCCF 34a_100011934283_100000729378 [0,2,0,0,0,0|1,0,1]=4 13634 B13R0.66 CCCC[C@H](N)COCCCCCO 34a_100011934283_100000746330 [0,2,0,0,0,0|0,0,2]=4 13635 B13R0.66 CCCC[C@H](N)COCCCCOC 34a_100011934283_100000755781 [0,2,0,0,0,0|2,0,0]=4 13636 B13R0.66 CCCNC(=O)CNCCCCC=O 2230a_100000174927_100000139335 [0,2,0,0,0,0|1,0,1]=4 13637 B13R0.66 CCCNC(=O)CSCCCCC=O 62a_100000139335_100000183358 [0,2,0,0,0,0|1,0,1]=4 13638 B13R0.66 CCCNC(=O)CSCCCCC=O 62a_100000183358_100000139335 [0,2,0,0,0,0|1,0,1]=4 13639 B13R0.66 CCCOC(=O)CSCCCCC=O 62a_100000139335_200011215008 [0,2,0,0,0,0|1,0,1]=4 13640 B13R0.66 CCCOC(=O)CSCCCCC=O 62a_200011215008_100000139335 [0,2,0,0,0,0|1,0,1]=4 13641 B13R0.66 CCCOC(C)CNCCCCC=O 2230a_100015185124_100000139335 [0,2,0,0,0,0|1,0,0]=3 13642 B13R0.66 CCOCC(C)OCCCCCC=O 7a_100000718985_100000139337 [0,2,0,0,0,0|1,0,0]=3 13643 B13R0.66 CCOCC(O)CNCCCCC=O 2230a_102515437182_100000139335 [0,2,0,0,0,0|1,0,0]=3 13644 B13R0.66 COCO[C@H](C)COCCCCC=O 7a_100016172286_100000139335 [0,2,0,0,0,0|2,0,0]=4 13645 B13R0.66 C[C@H](CCCO)CNCCCCC=O 2230a_100160569302_100000139335 [0,2,0,0,0,0|1,0,0]=3 13646 B13R0.87 C=CC(O)COCCCC(C)CCC 34a_100011713154_100000730141 [0,2,0,0,0,0|2,0,0]=4 13647 B13R0.87 C=CC(O)COCCCC(C)CCC 7a_100011713154_100000730141 [0,2,0,0,0,0|2,0,0]=4 13648 B13R0.88 C=C(C)CCOCCCC(C)CCC 34a_100011713154_100000730704 [0,2,0,0,0,0|2,0,0]=4 13649 B13R0.88 C=C(C)CCOCCCC(C)CCC 7a_100011713154_100000730704 [0,2,0,0,0,0|2,0,0]=4 13650 B13R0.88 C=CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210623 [0,2,0,0,0,0|1,0,1]=4 13651 B13R0.88 C=CCC(C)COCCCCC(C)C 34a_100009832082_100011216152 [0,2,0,0,0,0|2,0,0]=4 13652 B13R0.88 C=CCC(C)COCCCCC(C)C 7a_100009832082_100011216152 [0,2,0,0,0,0|2,0,0]=4 13653 B13R0.88 C=CC[C@@H](C)OCCCCCC(C)C 34a_100000731007_100000210682 [0,2,0,0,0,0|2,0,0]=4 13654 B13R0.88 C=CC[C@@H](C)OCCCCCC(C)C 7a_100000731007_100000210682 [0,2,0,0,0,0|2,0,0]=4 13655 B13R0.88 C=CC[C@@H](N)COCCCCC(C)C 34a_100020615467_100011216152 [0,2,0,0,0,0|2,0,0]=4 13656 B13R0.88 CC(=O)CCCCOCC(C)CCN 34a_106354213184_100009817362 [0,2,0,0,0,0|2,0,0]=4 13657 B13R0.88 CC(CCBr)OCCCCCC(=O)N 34a_100012276601_100009817443 [0,2,0,0,0,0|2,0,0]=4 13658 B13R0.88 CC(CCO)OCCCCCC(=O)N 34a_100000123541_100009893172 [0,2,0,0,0,0|2,0,0]=4 13659 B13R0.88 CC(CCO)OCCCCCC(=O)N 7a_100000123541_100009893172 [0,2,0,0,0,0|2,0,0]=4 13660 B13R0.88 CC(CCO)OCCCCCC(=O)[O-] 7a_100102619762_100009893172 [0,2,0,0,0,0|2,0,0]=4 13661 B13R0.88 CC(CCO)SCCCCCC(=O)N 62a_100009817443_100009893172 [0,2,0,0,0,0|2,0,0]=4 13662 B13R0.88 CC(CCO)SCCCCCC(=O)N 62a_100009893172_100009817443 [0,2,0,0,0,0|2,0,0]=4 13663 B13R0.88 CCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210303 [0,2,0,0,0,0|1,0,1]=4 13664 B13R0.88 CCCC(=O)CCCCCOC(=O)C 1458a_100000211992_100000033007 [0,2,0,0,0,0|1,0,1]=4 13665 B13R0.88 CCCC(=O)COCCCCC(=O)N 7a_100012022536_100000747444 [0,2,0,0,0,0|1,0,1]=4 13666 B13R0.88 CCCC(=O)CSCCCCC(=O)C 62a_100000735457_100000747444 [0,2,0,0,0,0|1,0,1]=4 13667 B13R0.88 CCCC(=O)CSCCCCC(=O)C 62a_100000747444_100000735457 [0,2,0,0,0,0|1,0,1]=4 13668 B13R0.88 CCCC(C)CCCOCCC(=O)C 7a_100011713154_100000053229 [0,2,0,0,0,0|1,0,0]=3 13669 B13R0.88 CCCC(C)CCCOCCC(=O)N 34a_100011713154_100000731001 [0,2,0,0,0,0|1,0,0]=3 13670 B13R0.88 CCCC(C)CCCOCCC(=O)N 7a_100011713154_100000744528 [0,2,0,0,0,0|1,0,0]=3 13671 B13R0.88 CCCC(C)CCCOCOC(=O)C 34a_100011713154_100009813279 [0,2,0,0,0,0|2,0,0]=4 13672 B13R0.88 CCCC(C)CCOCCCC(=O)C 34a_100011217855_100000685027 [0,2,0,0,0,0|1,0,0]=3 13673 B13R0.88 CCCC(C)CCOCCCC(=O)C 7a_100011217855_100011215641 [0,2,0,0,0,0|1,0,0]=3 13674 B13R0.88 CCCC(C)CCOCCCC(=O)N 34a_100011217855_100102525003 [0,2,0,0,0,0|1,0,0]=3 13675 B13R0.88 CCCC(C)CCOCCCC(=O)N 7a_100011217855_100102525003 [0,2,0,0,0,0|1,0,0]=3 13676 B13R0.88 CCCC(C)CCOCCNC(=O)C 7a_100011217855_100000189650 [0,2,0,0,0,0|2,0,0]=4 13677 B13R0.88 CCCC(C)CCOCCNC(=O)N 7a_100011217855_200000034859 [0,2,0,0,0,0|2,0,0]=4 13678 B13R0.88 CCCC(C)CCOCCOC(=O)C 34a_100011217855_100009814007 [0,2,0,0,0,0|2,0,0]=4 13679 B13R0.88 CCCC(C)CCOCCOC(=O)C 7a_100011217855_100009814007 [0,2,0,0,0,0|2,0,0]=4 13680 B13R0.88 CCCC(C)CCOCCOC(=O)N 34a_100011217855_200011214921 [0,2,0,0,0,0|2,0,0]=4 13681 B13R0.88 CCCC(C)CCOCCOC(=O)N 7a_100011217855_200011214921 [0,2,0,0,0,0|2,0,0]=4 13682 B13R0.88 CCCC(C)CNCCCCC(=O)N 270004a_100000696515_100000243154 [0,2,0,0,0,0|1,0,0]=3 13683 B13R0.88 CCCC(C)CNCCCCC(=O)N 34a_100000696515_100011216630 [0,2,0,0,0,0|1,0,0]=3 13684 B13R0.88 CCCC(C)CNCCCNC(=O)C 270004a_100000736810_100000243154 [0,2,0,0,0,0|2,0,0]=4 13685 B13R0.88 CCCC(C)CNCCCNC(=O)C 34a_100000736810_100011216630 [0,2,0,0,0,0|2,0,0]=4 13686 B13R0.88 CCCC(C)CNCCOCC(=O)O 269956a_100000700818_100011216630 [0,2,0,0,0,0|2,0,0]=4 13687 B13R0.88 CCCC(C)COCCCCC(=O)C 34a_100000688023_100009817362 [0,2,0,0,0,0|1,0,0]=3 13688 B13R0.88 CCCC(C)COCCCCC(=O)C 7a_100000688023_100000735457 [0,2,0,0,0,0|1,0,0]=3 13689 B13R0.88 CCCC(C)COCCCCC(=O)N 34a_100012022536_100011216630 [0,2,0,0,0,0|1,0,0]=3 13690 B13R0.88 CCCC(C)COCCCCC(=O)N 7a_100012022536_100011216630 [0,2,0,0,0,0|1,0,0]=3 13691 B13R0.88 CCCC(C)COCCCC[N+](=O)[O-] 34a_200015379883_100011216630 [0,2,0,0,0,0|2,0,0]=4 13692 B13R0.88 CCCC(C)COCCCC[N+](=O)[O-] 7a_200015379883_100011216630 [0,2,0,0,0,0|2,0,0]=4 13693 B13R0.88 CCCC(C)COCCCNC(=O)C 34a_100000752032_100011216630 [0,2,0,0,0,0|2,0,0]=4 13694 B13R0.88 CCCC(C)COCCCOC(=O)C 34a_100000688023_100000042594 [0,2,0,0,0,0|2,0,0]=4 13695 B13R0.88 CCCC(C)COCCCOC(=O)C 7a_100000688023_100000042594 [0,2,0,0,0,0|2,0,0]=4 13696 B13R0.88 CCCC(C)COCCCSC(=O)C 34a_100000688023_100000038929 [0,2,0,0,0,0|2,0,0]=4 13697 B13R0.88 CCCC(C)COCCCSC(=O)C 7a_100000688023_100000038929 [0,2,0,0,0,0|2,0,0]=4 13698 B13R0.88 CCCC(C)COCCOCC(=O)N 34a_100000688023_100000076697 [0,2,0,0,0,0|2,0,0]=4 13699 B13R0.88 CCCC(C)COCCOCC(=O)N 7a_100000688023_100000076697 [0,2,0,0,0,0|2,0,0]=4 13700 B13R0.88 CCCC(C)CSCCCCC(=O)C 62a_100000735457_100011216630 [0,2,0,0,0,0|1,0,0]=3 13701 B13R0.88 CCCC(C)CSCCCCC(=O)C 62a_100011216630_100000735457 [0,2,0,0,0,0|1,0,0]=3 13702 B13R0.88 CCCC(C)CSCCCOC(=O)C 62a_100000042594_100011216630 [0,2,0,0,0,0|2,0,0]=4 13703 B13R0.88 CCCC(C)CSCCCOC(=O)C 62a_100011216630_100000042594 [0,2,0,0,0,0|2,0,0]=4 13704 B13R0.88 CCCC(C)CSCCCSC(=O)C 62a_100000038929_100011216630 [0,2,0,0,0,0|2,0,0]=4 13705 B13R0.88 CCCC(C)CSCCCSC(=O)C 62a_100011216630_100000038929 [0,2,0,0,0,0|2,0,0]=4 13706 B13R0.88 CCCC(C)CSCCOCC(=O)N 62a_100000076697_100011216630 [0,2,0,0,0,0|2,0,0]=4 13707 B13R0.88 CCCC(C)CSCCOCC(=O)N 62a_100011216630_100000076697 [0,2,0,0,0,0|2,0,0]=4 13708 B13R0.88 CCCC(C)NCCCCCC(=O)N 2230a_100000741246_100009817443 [0,2,0,0,0,0|1,0,0]=3 13709 B13R0.88 CCCC(C)NCCCCNC(=O)C 2230a_200011368371_100000766640 [0,2,0,0,0,0|2,0,0]=4 13710 B13R0.88 CCCC(C)NCCCCNC(=O)C 270004a_200011368371_100000211909 [0,2,0,0,0,0|2,0,0]=4 13711 B13R0.88 CCCC(C)NCCCCNC(=O)C 34a_200011368371_100000766640 [0,2,0,0,0,0|2,0,0]=4 13712 B13R0.88 CCCC(C)NCCCCSC(=O)C 2230a_100000741246_200010402107 [0,2,0,0,0,0|2,0,0]=4 13713 B13R0.88 CCCC(C)OCCCCCC(=O)N 34a_100000123541_100000766640 [0,2,0,0,0,0|1,0,0]=3 13714 B13R0.88 CCCC(C)OCCCCCC(=O)N 34a_100000764384_100009817443 [0,2,0,0,0,0|1,0,0]=3 13715 B13R0.88 CCCC(C)OCCCCCC(=O)N 7a_100000123541_100000766640 [0,2,0,0,0,0|1,0,0]=3 13716 B13R0.88 CCCC(C)OCCCCCC(=O)N 7a_100000764384_100009817443 [0,2,0,0,0,0|1,0,0]=3 13717 B13R0.88 CCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000766640 [0,2,0,0,0,0|1,0,0]=3 13718 B13R0.88 CCCC(C)OCCCCOC(=O)C 34a_100000073216_100000766640 [0,2,0,0,0,0|2,0,0]=4 13719 B13R0.88 CCCC(C)OCCCCOC(=O)C 34a_100000764384_100000033659 [0,2,0,0,0,0|2,0,0]=4 13720 B13R0.88 CCCC(C)OCCCCOC(=O)C 7a_100000073216_100000766640 [0,2,0,0,0,0|2,0,0]=4 13721 B13R0.88 CCCC(C)OCCCCOC(=O)C 7a_100000764384_100000033659 [0,2,0,0,0,0|2,0,0]=4 13722 B13R0.88 CCCC(C)OCCCCSC(=O)C 34a_100000764384_200010402107 [0,2,0,0,0,0|2,0,0]=4 13723 B13R0.88 CCCC(C)OCCCCSC(=O)C 7a_100000764384_200010402107 [0,2,0,0,0,0|2,0,0]=4 13724 B13R0.88 CCCC(C)SCCCCCC(=O)N 62a_100000766640_100009817443 [0,2,0,0,0,0|1,0,0]=3 13725 B13R0.88 CCCC(C)SCCCCCC(=O)N 62a_100009817443_100000766640 [0,2,0,0,0,0|1,0,0]=3 13726 B13R0.88 CCCC(C)SCCCCOC(=O)C 62a_100000033659_100000766640 [0,2,0,0,0,0|2,0,0]=4 13727 B13R0.88 CCCC(C)SCCCCOC(=O)C 62a_100000766640_100000033659 [0,2,0,0,0,0|2,0,0]=4 13728 B13R0.88 CCCC(C)SCCCCSC(=O)C 62a_100000766640_200010402107 [0,2,0,0,0,0|2,0,0]=4 13729 B13R0.88 CCCC(C)SCCCCSC(=O)C 62a_200010402107_100000766640 [0,2,0,0,0,0|2,0,0]=4 13730 B13R0.88 CCCN(C)CCCCCOC(=O)C 2230a_100000747261_100009813381 [0,2,0,0,0,0|2,0,0]=4 13731 B13R0.88 CCCN(C)CCCCCOC(=O)C 269982a_100000747261_100000033007 [0,2,0,0,0,0|2,0,0]=4 13732 B13R0.88 CCC[C@H](N)CCOCCCC(=O)C 34a_100015193777_100000685027 [0,2,0,0,0,0|1,0,0]=3 13733 B13R0.88 CCC[C@H](N)CCOCCCC(=O)N 34a_100015193777_100102525003 [0,2,0,0,0,0|1,0,0]=3 13734 B13R0.88 CCC[C@H](N)CCOCCOC(=O)C 34a_100015193777_100009814007 [0,2,0,0,0,0|2,0,0]=4 13735 B13R0.88 CCC[C@H](N)CCOCCOC(=O)N 34a_100015193777_200011214921 [0,2,0,0,0,0|2,0,0]=4 13736 B13R0.88 CCC[C@H](N)COCCCCC(=O)C 34a_100000732646_100009817362 [0,2,0,0,0,0|1,0,0]=3 13737 B13R0.88 CCC[C@H](N)COCCCOC(=O)C 34a_100000732646_100000042594 [0,2,0,0,0,0|2,0,0]=4 13738 B13R0.88 CCC[C@H](N)COCCCSC(=O)C 34a_100000732646_100000038929 [0,2,0,0,0,0|2,0,0]=4 13739 B13R0.88 CCC[C@H](N)COCCOCC(=O)N 34a_100000732646_100000076697 [0,2,0,0,0,0|2,0,0]=4 13740 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000031895_200000210301 [0,2,0,0,0,0|1,0,1]=4 13741 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000070787_100009814379 [0,2,0,0,0,0|1,0,1]=4 13742 B13R0.88 CCOC(=O)CCCCCCC(=O)[13CH3] 1458a_100000031895_200025704644 [0,2,0,0,0,0|1,0,1]=4 13743 B13R0.88 COCC(C)OCCCCCC(=O)N 34a_100000123541_100000765312 [0,2,0,0,0,0|2,0,0]=4 13744 B13R0.88 COCC(C)OCCCCCC(=O)N 7a_100000123541_100000765312 [0,2,0,0,0,0|2,0,0]=4 13745 B13R0.88 COCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000765312 [0,2,0,0,0,0|2,0,0]=4 13746 B13R0.88 COCC(C)SCCCCCC(=O)N 62a_100000765312_100009817443 [0,2,0,0,0,0|2,0,0]=4 13747 B13R0.88 COCC(C)SCCCCCC(=O)N 62a_100009817443_100000765312 [0,2,0,0,0,0|2,0,0]=4 13748 B13R0.88 COCC(N)COCCCCC(=O)C 34a_100000724102_100009817362 [0,2,0,0,0,0|2,0,0]=4 13749 B13R0.88 COCC(O)CNCCCCC(=O)C 34a_100000756049_100009817362 [0,2,0,0,0,0|2,0,0]=4 13750 B13R0.88 COCC(O)CNCCCCC(=O)N 34a_100000696515_100011215053 [0,2,0,0,0,0|2,0,0]=4 13751 B13R0.88 COCC(O)COCCCCC(=O)N 34a_100012022536_100011215053 [0,2,0,0,0,0|2,0,0]=4 13752 B13R0.88 COCC(O)COCCCCC(=O)N 7a_100012022536_100011215053 [0,2,0,0,0,0|2,0,0]=4 13753 B13R0.88 COCC(O)CSCCCCC(=O)C 62a_100000735457_100011215053 [0,2,0,0,0,0|2,0,0]=4 13754 B13R0.88 COCC(O)CSCCCCC(=O)C 62a_100011215053_100000735457 [0,2,0,0,0,0|2,0,0]=4 13755 B13R0.88 COC[C@@H](C)NCCCCCC(=O)N 2230a_100000764878_100009817443 [0,2,0,0,0,0|2,0,0]=4 13756 B13R0.88 COC[C@@H](C)OCCCCCC(=O)N 34a_100011934205_100009817443 [0,2,0,0,0,0|2,0,0]=4 13757 B13R0.88 C[C@H](CCO)NCCCCCC(=O)N 2230a_100000706166_100009817443 [0,2,0,0,0,0|2,0,0]=4 13758 B13R0.88 C[C@H](CCO)NCCCCCC(=O)N 34a_100000706166_100009817443 [0,2,0,0,0,0|2,0,0]=4 13759 B13R0.193 C=CCC(=O)CCC(C)CCCCC 1458a_100000034243_100000210623 [0,2,0,0,0,0|1,0,1]=4 13760 B13R0.193 C=CCC(C)COC(C)CCCCC 34a_100009832082_200011218191 [0,2,0,0,0,0|2,0,0]=4 13761 B13R0.193 C=CCC(C)COC(C)CCCCC 7a_100009832082_200011218191 [0,2,0,0,0,0|2,0,0]=4 13762 B13R0.193 C=CCCNC(C)CCC(C)CCC 270004a_100015191253_200011216527 [0,2,0,0,0,0|2,0,0]=4 13763 B13R0.193 C=CC[C@@H](N)COC(C)CCCCC 34a_100020615467_200011218191 [0,2,0,0,0,0|2,0,0]=4 13764 B13R0.275 C=CCC(=O)C(C)CCCCCCC 1458a_100000210193_200011218727 [0,2,0,0,0,0|1,0,1]=4 13765 B13R0.275 C=CCC(C)C(=O)CCCCCCC 1458a_100011216819_100000210614 [0,2,0,0,0,0|1,0,1]=4 13766 B13R0.275 C=CCCCCCC(=O)C(C)CCC 1458a_100000210906_100000700193 [0,2,0,0,0,0|1,0,1]=4 13767 B13R0.275 C=CCCCCCC(=O)C(C)CCC 1458a_100011934241_100000766640 [0,2,0,0,0,0|1,0,1]=4 13768 B13R0.275 C=CCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000700193 [0,2,0,0,0,0|1,0,1]=4 13769 B13R0.275 C=CCCCCNC(C)C(C)CCC 270004a_100000703577_100011216282 [0,2,0,0,0,0|2,0,0]=4 13770 B13R0.275 C=CCCCCOC(C)C(C)CCC 34a_100000708338_100011215482 [0,2,0,0,0,0|2,0,0]=4 13771 B13R0.275 C=CCCCCOC(C)C(C)CCC 7a_100000708338_100011215482 [0,2,0,0,0,0|2,0,0]=4 13772 B13R0.275 C=CCN(C)C(C)CCCCCCC 2230a_100000225617_200011218727 [0,2,0,0,0,0|2,0,0]=4 13773 B13R0.275 C=CCN(C)C(C)CCCCCCC 269982a_100000225617_200011218727 [0,2,0,0,0,0|2,0,0]=4 13774 B13R0.275 C=CCN(C)C(C)CCCCCCC 270004a_100000225617_100000210596 [0,2,0,0,0,0|2,0,0]=4 13775 B13R0.275 CC(CCO)N(C)CCCCCC=O 2230a_100000731037_100000139337 [0,2,0,0,0,0|2,0,0]=4 13776 B13R0.275 CC(CCO)N(C)CCCCCC=O 269982a_100000731037_100000139337 [0,2,0,0,0,0|2,0,0]=4 13777 B13R0.275 CCCC(C)C(C)OCCCCC=O 7a_100000708338_100000139335 [0,2,0,0,0,0|1,0,0]=3 13778 B13R0.282 C#CC(CCC)OCCCCCC=C 34a_200011217317_100000700193 [0,2,0,0,0,0|2,0,0]=4 13779 B13R0.282 C#CC(CCC)OCCCCCC=C 7a_200011217317_100000700193 [0,2,0,0,0,0|2,0,0]=4 13780 B13R0.282 C#CC(CCC)OCCCCCC=O 7a_200011217317_100000139337 [0,2,0,0,0,0|1,0,0]=3 13781 B13R0.282 C=CC(CCC)OCCCCCC=O 7a_100011216692_100000139337 [0,2,0,0,0,0|1,0,0]=3 13782 B13R0.282 C=CCC(C=C)OCCCCCCC 34a_100000038011_100000210614 [0,2,0,0,0,0|2,0,0]=4 13783 B13R0.282 C=CCC(C=C)OCCCCCCC 7a_100000038011_100000210614 [0,2,0,0,0,0|2,0,0]=4 13784 B13R0.282 C=CCCCCCCN(CC)CCC 2230a_100000226822_100011215473 [0,2,0,0,0,0|2,0,0]=4 13785 B13R0.282 C=CCCCCCCN(CC)CCC 269982a_100000226822_100011215473 [0,2,0,0,0,0|2,0,0]=4 13786 B13R0.282 C=CCCCCCNC(CC)CCC 2230a_100000747048_100000700193 [0,2,0,0,0,0|2,0,0]=4 13787 B13R0.282 C=CCCCCCN[C@H](CO)CCC 2230a_100000732646_100000700193 [0,2,0,0,0,0|2,0,0]=4 13788 B13R0.282 C=CCCCCCN[C@H](CO)CCC 34a_100000732646_100000700193 [0,2,0,0,0,0|2,0,0]=4 13789 B13R0.282 C=CCCCCCOC(C#N)CCC 34a_100000686963_100000700193 [0,2,0,0,0,0|2,0,0]=4 13790 B13R0.282 C=CCCCCCOC(C#N)CCC 7a_100000686963_100000700193 [0,2,0,0,0,0|2,0,0]=4 13791 B13R0.282 C=CCCCCCOC(C=C)CCC 34a_100011216692_100000700193 [0,2,0,0,0,0|2,0,0]=4 13792 B13R0.282 C=CCCCCCOC(C=C)CCC 7a_100011216692_100000700193 [0,2,0,0,0,0|2,0,0]=4 13793 B13R0.282 C=CCCCCCOC(CC)CCC 34a_100000687864_100000700193 [0,2,0,0,0,0|2,0,0]=4 13794 B13R0.282 C=CCCCCCOC(CC)CCC 7a_100000687864_100000700193 [0,2,0,0,0,0|2,0,0]=4 13795 B13R0.282 C=CCCCCCOC(CC)CCC 7a_100011216702_100011219200 [0,2,0,0,0,0|2,0,0]=4 13796 B13R0.282 C=CCCCOCCC(CCC)SC 34a_100000032865_100000757094 [0,2,0,0,0,0|2,0,0]=4 13797 B13R0.282 C=CCCCOCCC(CCC)SC 7a_100000032865_100000757094 [0,2,0,0,0,0|2,0,0]=4 13798 B13R0.282 C=CC[C@H](CO)NCCCCCCC 2230a_100020615467_100000210681 [0,2,0,0,0,0|2,0,0]=4 13799 B13R0.282 CCC(COC)NCCCCCC=O 2230a_100000757820_100000139337 [0,2,0,0,0,0|2,0,0]=4 13800 B13R0.282 CCC(COC)OCCCCCC=O 7a_200011214946_100000139337 [0,2,0,0,0,0|2,0,0]=4 13801 B13R0.282 CCCC(C#N)OCCCCCC=O 7a_100000686963_100000139337 [0,2,0,0,0,0|1,0,0]=3 13802 B13R0.282 CCCC(CC)NCCCCCC=O 2230a_100000747048_100000139337 [0,2,0,0,0,0|1,0,0]=3 13803 B13R0.282 CCCC(CC)OCCCCCC=O 7a_100000687864_100000139337 [0,2,0,0,0,0|1,0,0]=3 13804 B13R0.282 CCCC(CC)SCCCCCC=O 62a_100000139337_100011219200 [0,2,0,0,0,0|1,0,0]=3 13805 B13R0.282 CCCC(CC)SCCCCCC=O 62a_100011219200_100000139337 [0,2,0,0,0,0|1,0,0]=3 13806 B13R0.282 CCCC(CCOCCCC=O)SC 7a_100000032865_200011292268 [0,2,0,0,0,0|1,0,0]=3 13807 B13R0.282 CCCCCCCCC(CCC)NC 270004a_106832991635_200011216056 [0,2,0,0,0,0|1,0,1]=4 13808 B13R0.282 CCCCCCCCC(CCC)OC 34a_200011218034_200000210301 [0,2,0,0,0,0|1,0,1]=4 13809 B13R0.282 CCCCCCCCC(CCC)OC 7a_200011218034_200000210301 [0,2,0,0,0,0|1,0,1]=4 13810 B13R0.282 CCCCCCCCC(CCC)O[13CH3] 34a_200011218034_200025704644 [0,2,0,0,0,0|1,0,1]=4 13811 B13R0.282 CCCCCCCCC(CCC)O[13CH3] 7a_200011218034_200025704644 [0,2,0,0,0,0|1,0,1]=4 13812 B13R0.282 CCC[C@@H](CO)NCCCCCC=O 2230a_100000732646_100000139337 [0,2,0,0,0,0|1,0,0]=3 13813 B13R0.282 CCOC(CC)CNCCCCC=O 2230a_100015183923_100000139335 [0,2,0,0,0,0|2,0,0]=4 13814 B13R0.282 COCC(CO)NCCCCCC=O 2230a_100000724102_100000139337 [0,2,0,0,0,0|2,0,0]=4 13815 B13R0.330 C=CCCCCC(=O)CC(C)CCC 1458a_100000748435_100011215482 [0,2,0,0,0,0|1,0,1]=4 13816 B13R0.330 C=CCCCCC(=O)CC(C)CCC 1458a_100011215552_100011216630 [0,2,0,0,0,0|1,0,1]=4 13817 B13R0.330 C=CCCCCN(C)CC(C)CCC 2230a_100012000471_100011216630 [0,2,0,0,0,0|2,0,0]=4 13818 B13R0.330 C=CCCCCN(C)CC(C)CCC 269982a_100012000471_100011216630 [0,2,0,0,0,0|2,0,0]=4 13819 B13R0.330 C=CCCCCN(C)CC(C)CCC 270004a_100012000471_100000243154 [0,2,0,0,0,0|2,0,0]=4 13820 B13R0.330 C=CC[C@@H](C)OC(C)CCCCCC 34a_100000731007_100011215978 [0,2,0,0,0,0|2,0,0]=4 13821 B13R0.330 C=CC[C@@H](C)OC(C)CCCCCC 7a_100000731007_100011215978 [0,2,0,0,0,0|2,0,0]=4 13822 B13R0.330 COCC(O)CN(C)CCCCC=O 2230a_100000739405_100000139335 [0,2,0,0,0,0|2,0,0]=4 13823 B13R0.330 COCC(O)CN(C)CCCCC=O 269982a_100000739405_100000139335 [0,2,0,0,0,0|2,0,0]=4 13824 B13R0.335 C=C(C)CC(=O)CCCCCCCC 1458a_100000210188_100000748629 [0,2,0,0,0,0|1,0,1]=4 13825 B13R0.335 C=C(C)CN(C)CCCCCCCC 2230a_100000207567_100000748629 [0,2,0,0,0,0|2,0,0]=4 13826 B13R0.335 C=C(C)CN(C)CCCCCCCC 2230a_100000225649_100000210759 [0,2,0,0,0,0|2,0,0]=4 13827 B13R0.335 C=C(C)CN(C)CCCCCCCC 269982a_100000207567_100000748629 [0,2,0,0,0,0|2,0,0]=4 13828 B13R0.335 C=C(C)CN(C)CCCCCCCC 269982a_100000225649_100000210759 [0,2,0,0,0,0|2,0,0]=4 13829 B13R0.335 C=C(F)CC(=O)CCCCCCCC 1458a_100000210188_100009893438 [0,2,0,0,0,0|1,0,1]=4 13830 B13R0.335 C=C(F)CN(C)CCCCCCCC 2230a_100000207567_100009893438 [0,2,0,0,0,0|2,0,0]=4 13831 B13R0.335 C=C(F)CN(C)CCCCCCCC 269982a_100000207567_100009893438 [0,2,0,0,0,0|2,0,0]=4 13832 B13R0.335 C=CCCCCCCC(=O)CC(C)C 1458a_100000210554_100011215473 [0,2,0,0,0,0|1,0,1]=4 13833 B13R0.335 C=CCCCCCCC(=O)CC(C)C 1458a_100011809334_100000210624 [0,2,0,0,0,0|1,0,1]=4 13834 B13R0.335 C=CCCCCCCC(=O)CC(C)O 1458a_100011809334_100011218427 [0,2,0,0,0,0|1,0,1]=4 13835 B13R0.335 C=CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215473 [0,2,0,0,0,0|1,0,1]=4 13836 B13R0.335 C=CCCCCCCN(C)CC(C)C 2230a_100000747067_100011215473 [0,2,0,0,0,0|2,0,0]=4 13837 B13R0.335 C=CCCCCCCN(C)CC(C)C 269982a_100000747067_100011215473 [0,2,0,0,0,0|2,0,0]=4 13838 B13R0.335 C=CCCCCCCN(C)CC(C)O 2230a_100000227577_100011215473 [0,2,0,0,0,0|2,0,0]=4 13839 B13R0.335 C=CCCCCCCN(C)CC(C)O 269982a_100000227577_100011215473 [0,2,0,0,0,0|2,0,0]=4 13840 B13R0.335 C=CCCCCCNC(C)CC(C)C 2230a_100000692259_100000700193 [0,2,0,0,0,0|2,0,0]=4 13841 B13R0.335 C=CCCCCCOC(C)CC(C)C 34a_100000211805_100000700193 [0,2,0,0,0,0|2,0,0]=4 13842 B13R0.335 C=CCCCCCOC(C)CC(C)C 34a_100011216702_100000731052 [0,2,0,0,0,0|2,0,0]=4 13843 B13R0.335 C=CCCCCCOC(C)CC(C)C 7a_100000211805_100000700193 [0,2,0,0,0,0|2,0,0]=4 13844 B13R0.335 C=CCCCCCOC(C)CC(C)C 7a_100011216702_100000731052 [0,2,0,0,0,0|2,0,0]=4 13845 B13R0.335 C=CCCCCCSC(C)CC(C)C 62a_100000700193_100000731052 [0,2,0,0,0,0|2,0,0]=4 13846 B13R0.335 C=CCCCCCSC(C)CC(C)C 62a_100000731052_100000700193 [0,2,0,0,0,0|2,0,0]=4 13847 B13R0.335 C=CCCCCOC[C@@H](N)CC(C)C 34a_100011830311_100011215482 [0,2,0,0,0,0|2,0,0]=4 13848 B13R0.335 C=CCCCOCC[C@@H](N)CC(C)C 34a_100161151251_100000757094 [0,2,0,0,0,0|2,0,0]=4 13849 B13R0.335 CC(C)CC(C)NCCCCCC=O 2230a_100000692259_100000139337 [0,2,0,0,0,0|1,0,0]=3 13850 B13R0.335 CC(C)CC(C)OCCCCCC=O 7a_100000211805_100000139337 [0,2,0,0,0,0|1,0,0]=3 13851 B13R0.335 CC(C)CC(C)SCCCCCC=O 62a_100000139337_100000731052 [0,2,0,0,0,0|1,0,0]=3 13852 B13R0.335 CC(C)CC(C)SCCCCCC=O 62a_100000731052_100000139337 [0,2,0,0,0,0|1,0,0]=3 13853 B13R0.335 CC(CN(C)C)SCCCCCC=O 62a_100000139337_100020606517 [0,2,0,0,0,0|2,0,0]=4 13854 B13R0.335 CC(CN(C)C)SCCCCCC=O 62a_100020606517_100000139337 [0,2,0,0,0,0|2,0,0]=4 13855 B13R0.335 CC(CSCCCCC=O)CN(C)C 62a_100000139335_100015348159 [0,2,0,0,0,0|2,0,0]=4 13856 B13R0.335 CC(CSCCCCC=O)CN(C)C 62a_100015348159_100000139335 [0,2,0,0,0,0|2,0,0]=4 13857 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100000210188_100000187820 [0,2,0,0,0,0|0,0,1]=3 13858 B13R0.335 CCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210759 [0,2,0,0,0,0|0,0,1]=3 13859 B13R0.335 CCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210188_100020667443 [0,2,0,0,0,0|0,0,1]=3 13860 B13R0.335 CCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210188_100000761209 [0,2,0,0,0,0|1,0,1]=4 13861 B13R0.335 CCCCCCCCC(C)CN(C)C 270004a_100102631434_100011995885 [0,2,0,0,0,0|2,0,0]=4 13862 B13R0.335 CCCCCCCCN(C)CC(=O)N 2230a_100000207567_100000747473 [0,2,0,0,0,0|1,0,0]=3 13863 B13R0.335 CCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210759 [0,2,0,0,0,0|1,0,0]=3 13864 B13R0.335 CCCCCCCCN(C)CC(=O)N 269982a_100000207567_100000187820 [0,2,0,0,0,0|1,0,0]=3 13865 B13R0.335 CCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210759 [0,2,0,0,0,0|1,0,0]=3 13866 B13R0.335 CCCCCCCCN(C)CC(=O)[O-] 269982a_100000207567_100020667443 [0,2,0,0,0,0|1,0,0]=3 13867 B13R0.335 CCCCCCCCN(C)C[N+](=O)[O-] 269982a_100000207567_100000761209 [0,2,0,0,0,0|2,0,0]=4 13868 B13R0.335 CCCCCCCNC(=O)CC(=O)N 240690a_100000229938_100134613110 [0,2,0,0,0,0|1,0,1]=4 13869 B13R0.335 CCCCCCCNC(=O)CC(=O)N 527a_100000229938_100134613110 [0,2,0,0,0,0|1,0,1]=4 13870 B13R0.335 CCCCCCCSC(C)OC(=O)C 62a_100000210614_100009818208 [0,2,0,0,0,0|2,0,0]=4 13871 B13R0.335 CCCCCCCSC(C)OC(=O)C 62a_100009818208_100000210316 [0,2,0,0,0,0|2,0,0]=4 13872 B13R0.335 CCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210757 [0,2,0,0,0,0|1,0,0]=3 13873 B13R0.335 CCCCOCNCC(O)CC(=O)O 269956a_100011218706_100011995733 [0,2,0,0,0,0|2,0,0]=4 13874 B13R0.335 CCCOCCNCC(O)CC(=O)O 269956a_100011218706_100011215938 [0,2,0,0,0,0|2,0,0]=4 13875 B13R0.335 CCOCCCNCC(O)CC(=O)O 269956a_100011218706_100012232248 [0,2,0,0,0,0|2,0,0]=4 13876 B13R0.335 CN(CCCCCCCO)CC(=O)N 2230a_100000739694_100000760002 [0,2,0,0,0,0|2,0,0]=4 13877 B13R0.335 CN(CCCCCCCO)CC(=O)O 269956a_100000746989_100000760002 [0,2,0,0,0,0|2,0,0]=4 13878 B13R0.335 COCCCCCCC(=O)CC(=O)N 1458a_100134613110_100011998445 [0,2,0,0,0,0|1,0,1]=4 13879 B13R0.335 COCCCCCCN(C)CC(=O)N 2230a_100000739694_100011998445 [0,2,0,0,0,0|2,0,0]=4 13880 B13R0.335 COCCCCCCN(C)CC(=O)O 269956a_100000746989_100011998445 [0,2,0,0,0,0|2,0,0]=4 13881 B13R0.335 COCCCCNCC(O)CC(=O)O 269956a_100011218706_100000730899 [0,2,0,0,0,0|2,0,0]=4 13882 B13R0.335 NC(=O)CC(=O)CCCCCCCO 1458a_100011219782_100000187820 [0,2,0,0,0,0|1,0,1]=4 13883 B13R0.335 NC(=O)CC(=O)CCCCCCCO 1458a_100134613110_100000760002 [0,2,0,0,0,0|1,0,1]=4 13884 B13R0.335 O=C(O)CC(O)CNCCCCCF 269956a_100011218706_100000729378 [0,2,0,0,0,0|2,0,0]=4 13885 B13R0.335 O=C(O)CC(O)CNCCCCCO 269956a_100011218706_100000746330 [0,2,0,0,0,0|2,0,0]=4 13886 B13R0.335 O=C([O-])CC(=O)CCCCCCCO 1458a_100011219782_100020667443 [0,2,0,0,0,0|1,0,1]=4 13887 B13R0.340 C=CC(C)C(=O)CCCCCCCC 1458a_100011216780_100000210759 [0,2,0,0,0,0|1,0,1]=4 13888 B13R0.340 C=CC(C)N(C)CCCCCCCC 269982a_100000207567_100011215867 [0,2,0,0,0,0|2,0,0]=4 13889 B13R0.340 C=CCCCCCCC(=O)C(C)CC 1458a_100011192722_100011215473 [0,2,0,0,0,0|1,0,1]=4 13890 B13R0.340 C=CCCCCCCC(=O)C(C)CC 1458a_100011809334_100000758301 [0,2,0,0,0,0|1,0,1]=4 13891 B13R0.340 C=CCCCCCCC(=O)C(O)CC 1458a_100011196387_100011215473 [0,2,0,0,0,0|1,0,1]=4 13892 B13R0.340 C=CCCCCCCN(C)C(C)CC 2230a_100000741768_100011215473 [0,2,0,0,0,0|2,0,0]=4 13893 B13R0.340 C=CCCCCCCN(C)C(C)CC 269982a_100000741768_100011215473 [0,2,0,0,0,0|2,0,0]=4 13894 B13R0.340 C=CCCCCCOC(C)C(C)CC 7a_100011215189_100000700193 [0,2,0,0,0,0|2,0,0]=4 13895 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCCCCCC 34a_100015455354_100000210614 [0,2,0,0,0,0|2,0,0]=4 13896 B13R0.340 C=C[C@@H](C)[C@@H](C)OCCCCCCC 7a_100015455354_100000210614 [0,2,0,0,0,0|2,0,0]=4 13897 B13R0.340 CCC(=O)C(C)SCCCCCC=O 62a_100000139337_100000742827 [0,2,0,0,0,0|1,0,1]=4 13898 B13R0.340 CCC(=O)C(C)SCCCCCC=O 62a_100000742827_100000139337 [0,2,0,0,0,0|1,0,1]=4 13899 B13R0.340 CCC(C)C(C)OCCCCCC=O 7a_100011215189_100000139337 [0,2,0,0,0,0|1,0,0]=3 13900 B13R0.340 CCN(C)C(C)COCCCCC=O 7a_100000732741_100000139335 [0,2,0,0,0,0|2,0,0]=4 13901 B13R0.1338 C=CCC(C)(C)OCCCCCCC 7a_100011995686_100000210614 [0,2,0,0,0,0|2,0,0]=4 13902 B13R0.1338 C=CCCCCCOC(C)(C)CCC 7a_100000748436_100000700193 [0,2,0,0,0,0|2,0,0]=4 13903 B13R0.1338 C=CCCCCOCC(C)(C)CCC 7a_100011995695_100011215482 [0,2,0,0,0,0|2,0,0]=4 13904 B13R0.1338 CC(C)(CCBr)OCCCCCC=O 7a_100000702414_100000139337 [0,2,0,0,0,0|2,0,0]=4 13905 B13R0.1338 CCCC(C)(C)COCCCCC=O 7a_100011995695_100000139335 [0,2,0,0,0,0|1,0,0]=3 13906 B13R0.1338 CCCC(C)(C)OCCCCCC=O 7a_100000748436_100000139337 [0,2,0,0,0,0|1,0,0]=3 13907 B13R0.1338 CCNC(C)(C)COCCCCC=O 7a_100000747347_100000139335 [0,2,0,0,0,0|2,0,0]=4 13908 B13R0.1338 COCC(C)(C)CNCCCCC=O 2230a_100000734190_100000139335 [0,2,0,0,0,0|2,0,0]=4 13909 B13R0.1338 COCC(C)(C)NCCCCCC=O 2230a_100000752728_100000139337 [0,2,0,0,0,0|2,0,0]=4 13910 B13R0.1338 CSCC(C)(C)NCCCCCC=O 2230a_100000759623_100000139337 [0,2,0,0,0,0|2,0,0]=4 13911 B13R0.1338 CSCC(C)(C)NCCCCCC=O 7a_100000759623_100000139337 [0,2,0,0,0,0|2,0,0]=4 13912 B13R0.54 C#CCCCCCCCCOC(C)C 34a_100000065265_100000210206 [0,2,0,0,0,0|1,0,1]=4 13913 B13R0.54 C#CCCCCCCCCOC(C)C 7a_100000065265_100000210206 [0,2,0,0,0,0|1,0,1]=4 13914 B13R0.54 C#CCCCCCCCNCC(=O)N 2230a_100000711301_100153394163 [0,2,0,0,0,0|0,0,2]=4 13915 B13R0.54 C#CCCCCCCCNCC(=O)O 269956a_100016091260_100153394163 [0,2,0,0,0,0|0,0,2]=4 13916 B13R0.54 C#CCCCCCCCNCC(C)C 2230a_100000210953_100153394163 [0,2,0,0,0,0|1,0,1]=4 13917 B13R0.54 C#CCCCCCCCNCC(C)C 34a_100000210953_100153394163 [0,2,0,0,0,0|1,0,1]=4 13918 B13R0.54 C#CCCCCCCCNCC(C)O 2230a_100000210904_100153394163 [0,2,0,0,0,0|1,0,1]=4 13919 B13R0.54 C#CCCCCCCCNCC(C)O 34a_100000210904_100153394163 [0,2,0,0,0,0|1,0,1]=4 13920 B13R0.54 C#CCCCCCCCOCC(=O)C 34a_100000211253_100153394163 [0,2,0,0,0,0|0,0,2]=4 13921 B13R0.54 C#CCCCCCCCOCC(=O)N 34a_100000054614_100000187820 [0,2,0,0,0,0|0,0,2]=4 13922 B13R0.54 C#CCCCCCCCOCC(=O)N 7a_100000054614_100000187820 [0,2,0,0,0,0|0,0,2]=4 13923 B13R0.54 C#CCCCCCCCOCC(=O)[O-] 34a_100000054614_100020667443 [0,2,0,0,0,0|0,0,2]=4 13924 B13R0.54 C#CCCCCCCCOCC(C)Br 34a_100012180447_100153394163 [0,2,0,0,0,0|1,0,1]=4 13925 B13R0.54 C#CCCCCCCCOCC(C)C 34a_100000054614_100000210624 [0,2,0,0,0,0|1,0,1]=4 13926 B13R0.54 C#CCCCCCCCOCC(C)C 34a_100000210257_100153394163 [0,2,0,0,0,0|1,0,1]=4 13927 B13R0.54 C#CCCCCCCCOCC(C)C 7a_100000054614_100000210760 [0,2,0,0,0,0|1,0,1]=4 13928 B13R0.54 C#CCCCCCCCOCC(C)F 34a_100015925927_100153394163 [0,2,0,0,0,0|1,0,1]=4 13929 B13R0.54 C#CCCCCCCCOCC(C)O 34a_100000054614_100011218427 [0,2,0,0,0,0|1,0,1]=4 13930 B13R0.54 C#CCCCCCCCOCC(C)O 7a_100000054614_100011218427 [0,2,0,0,0,0|1,0,1]=4 13931 B13R0.54 C#CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100153394163 [0,2,0,0,0,0|1,0,1]=4 13932 B13R0.54 C#CCCCCCCCOC[C@@H](C)N 34a_100000737577_100153394163 [0,2,0,0,0,0|1,0,1]=4 13933 B13R0.54 C#CCCCCCCCOC[C@@H](C)O 34a_100000054614_100009817552 [0,2,0,0,0,0|1,0,1]=4 13934 B13R0.54 C#CCCCCCCCOC[C@@H](C)O 7a_100000054614_100009817552 [0,2,0,0,0,0|1,0,1]=4 13935 B13R0.54 C#CCCCCCCCSCC(=O)N 62a_100000747473_100153394163 [0,2,0,0,0,0|0,0,2]=4 13936 B13R0.54 C#CCCCCCCCSCC(=O)N 62a_100153394163_100000747473 [0,2,0,0,0,0|0,0,2]=4 13937 B13R0.54 C#CCCCCCCCSCC(=O)[O-] 62a_100020667443_100153394163 [0,2,0,0,0,0|0,0,2]=4 13938 B13R0.54 C#CCCCCCCCSCC(=O)[O-] 62a_100153394163_100020667443 [0,2,0,0,0,0|0,0,2]=4 13939 B13R0.54 C#CCCCCCCCSCC(C)C 62a_100000210624_100153394163 [0,2,0,0,0,0|1,0,1]=4 13940 B13R0.54 C#CCCCCCCCSCC(C)C 62a_100153394163_100000210760 [0,2,0,0,0,0|1,0,1]=4 13941 B13R0.54 C#CCCCCCCCSCC(C)O 62a_100011218427_100153394163 [0,2,0,0,0,0|1,0,1]=4 13942 B13R0.54 C#CCCCCCCCSCC(C)O 62a_100153394163_100011218427 [0,2,0,0,0,0|1,0,1]=4 13943 B13R0.54 C#CCCCCCCCSC[C@@H](C)O 62a_100009817552_100153394163 [0,2,0,0,0,0|1,0,1]=4 13944 B13R0.54 C#CCCCCCCCSC[C@@H](C)O 62a_100153394163_100009817552 [0,2,0,0,0,0|1,0,1]=4 13945 B13R0.54 C#CCCCCCCNCCC(C)O 2230a_200000755665_100012276617 [0,2,0,0,0,0|1,0,1]=4 13946 B13R0.54 C#CCCCCCCOCCC(=O)C 34a_100000759926_100012276617 [0,2,0,0,0,0|0,0,2]=4 13947 B13R0.54 C#CCCCCCCOCCC(=O)C 7a_100000759926_100012276617 [0,2,0,0,0,0|0,0,2]=4 13948 B13R0.54 C#CCCCCCCOCCC(=O)C 7a_100011217361_100000053229 [0,2,0,0,0,0|0,0,2]=4 13949 B13R0.54 C#CCCCCCCOCCC(=O)N 34a_100000757172_100012276617 [0,2,0,0,0,0|0,0,2]=4 13950 B13R0.54 C#CCCCCCCOCCC(=O)N 34a_100011217361_100000731001 [0,2,0,0,0,0|0,0,2]=4 13951 B13R0.54 C#CCCCCCCOCCC(=O)N 7a_100000757172_100012276617 [0,2,0,0,0,0|0,0,2]=4 13952 B13R0.54 C#CCCCCCCOCCC(=O)N 7a_100011217361_100000744528 [0,2,0,0,0,0|0,0,2]=4 13953 B13R0.54 C#CCCCCCCOCCC(C)Br 34a_100009893172_100012276617 [0,2,0,0,0,0|1,0,1]=4 13954 B13R0.54 C#CCCCCCCOCCC(C)C 34a_100000210254_100012276617 [0,2,0,0,0,0|1,0,1]=4 13955 B13R0.54 C#CCCCCCCOCCC(C)C 34a_100011217361_100000210312 [0,2,0,0,0,0|1,0,1]=4 13956 B13R0.54 C#CCCCCCCOCCC(C)C 7a_100000210254_100012276617 [0,2,0,0,0,0|1,0,1]=4 13957 B13R0.54 C#CCCCCCCOCCC(C)C 7a_100011217361_100000210626 [0,2,0,0,0,0|1,0,1]=4 13958 B13R0.54 C#CCCCCCCOCCC(C)O 34a_100011217361_100012276601 [0,2,0,0,0,0|1,0,1]=4 13959 B13R0.54 C#CCCCCCCOCCC(C)O 7a_100011217361_100012276601 [0,2,0,0,0,0|1,0,1]=4 13960 B13R0.54 C#CCCCCCCOCC[C@@H](C)N 34a_100000706166_100012276617 [0,2,0,0,0,0|1,0,1]=4 13961 B13R0.54 C#CCCCCCCSCCC(=O)C 62a_100000053229_100012276617 [0,2,0,0,0,0|0,0,2]=4 13962 B13R0.54 C#CCCCCCCSCCC(=O)C 62a_100012276617_100000053229 [0,2,0,0,0,0|0,0,2]=4 13963 B13R0.54 C#CCCCCCCSCCC(=O)N 62a_100000744528_100012276617 [0,2,0,0,0,0|0,0,2]=4 13964 B13R0.54 C#CCCCCCCSCCC(=O)N 62a_100012276617_100000744528 [0,2,0,0,0,0|0,0,2]=4 13965 B13R0.54 C#CCCCCCCSCCC(C)C 62a_100000210312_100012276617 [0,2,0,0,0,0|1,0,1]=4 13966 B13R0.54 C#CCCCCCCSCCC(C)C 62a_100012276617_100000210312 [0,2,0,0,0,0|1,0,1]=4 13967 B13R0.54 C#CCCCCCCSCCC(C)O 62a_100012276601_100012276617 [0,2,0,0,0,0|1,0,1]=4 13968 B13R0.54 C#CCCCCCCSCCC(C)O 62a_100012276617_100012276601 [0,2,0,0,0,0|1,0,1]=4 13969 B13R0.54 C#CCCCCCNCCCC(=O)N 34a_100000739312_100012094781 [0,2,0,0,0,0|0,0,2]=4 13970 B13R0.54 C#CCCCCCNCCCC(C)C 2230a_200000737386_100012094781 [0,2,0,0,0,0|1,0,1]=4 13971 B13R0.54 C#CCCCCCNCCCC(C)C 34a_200000737386_100012094781 [0,2,0,0,0,0|1,0,1]=4 13972 B13R0.54 C#CCCCCCOCCCC(=O)C 34a_100000759063_100012094781 [0,2,0,0,0,0|0,0,2]=4 13973 B13R0.54 C#CCCCCCOCCCC(=O)C 34a_100000766912_100000685027 [0,2,0,0,0,0|0,0,2]=4 13974 B13R0.54 C#CCCCCCOCCCC(=O)C 7a_100000759063_100012094781 [0,2,0,0,0,0|0,0,2]=4 13975 B13R0.54 C#CCCCCCOCCCC(=O)C 7a_100000766912_100011215641 [0,2,0,0,0,0|0,0,2]=4 13976 B13R0.54 C#CCCCCCOCCCC(=O)N 34a_100000766912_100102525003 [0,2,0,0,0,0|0,0,2]=4 13977 B13R0.54 C#CCCCCCOCCCC(=O)N 7a_100000766912_100102525003 [0,2,0,0,0,0|0,0,2]=4 13978 B13R0.54 C#CCCCCCOCCCC(C)C 34a_100000210774_100012094781 [0,2,0,0,0,0|1,0,1]=4 13979 B13R0.54 C#CCCCCCOCCCC(C)C 34a_100000766912_100011214892 [0,2,0,0,0,0|1,0,1]=4 13980 B13R0.54 C#CCCCCCOCCCC(C)C 7a_100000210774_100012094781 [0,2,0,0,0,0|1,0,1]=4 13981 B13R0.54 C#CCCCCCOCCCC(C)C 7a_100000766912_100011214892 [0,2,0,0,0,0|1,0,1]=4 13982 B13R0.54 C#CCCCCCOCCCC(C)O 34a_100000766912_200000718107 [0,2,0,0,0,0|1,0,1]=4 13983 B13R0.54 C#CCCCCCOCCCC(C)O 7a_100000766912_200000718107 [0,2,0,0,0,0|1,0,1]=4 13984 B13R0.54 C#CCCCCCSCCCC(=O)C 62a_100011215641_100012094781 [0,2,0,0,0,0|0,0,2]=4 13985 B13R0.54 C#CCCCCCSCCCC(=O)C 62a_100012094781_100011215641 [0,2,0,0,0,0|0,0,2]=4 13986 B13R0.54 C#CCCCCCSCCCC(=O)N 62a_100012094781_100102525003 [0,2,0,0,0,0|0,0,2]=4 13987 B13R0.54 C#CCCCCCSCCCC(=O)N 62a_100102525003_100012094781 [0,2,0,0,0,0|0,0,2]=4 13988 B13R0.54 C#CCCCCCSCCCC(C)C 62a_100011214892_100012094781 [0,2,0,0,0,0|1,0,1]=4 13989 B13R0.54 C#CCCCCCSCCCC(C)C 62a_100012094781_100011214892 [0,2,0,0,0,0|1,0,1]=4 13990 B13R0.54 C#CCCCCCSCCCC(C)O 62a_100012094781_200000718107 [0,2,0,0,0,0|1,0,1]=4 13991 B13R0.54 C#CCCCCCSCCCC(C)O 62a_200000718107_100012094781 [0,2,0,0,0,0|1,0,1]=4 13992 B13R0.54 C#CCCCCNCCCCC(=O)C 34a_100000706060_100009817362 [0,2,0,0,0,0|0,0,2]=4 13993 B13R0.54 C#CCCCCNCCCCC(=O)N 34a_100000696515_100010269958 [0,2,0,0,0,0|0,0,2]=4 13994 B13R0.54 C#CCCCCNCCCCC(C)C 2230a_100000706060_100011216152 [0,2,0,0,0,0|1,0,1]=4 13995 B13R0.54 C#CCCCCNCCCCC(C)C 34a_100000706060_100011216152 [0,2,0,0,0,0|1,0,1]=4 13996 B13R0.54 C#CCCCCOCCCCC(=O)C 34a_100000766709_100009817362 [0,2,0,0,0,0|0,0,2]=4 13997 B13R0.54 C#CCCCCOCCCCC(=O)C 7a_100000766709_100000735457 [0,2,0,0,0,0|0,0,2]=4 13998 B13R0.54 C#CCCCCOCCCCC(=O)N 34a_100012022536_100010269958 [0,2,0,0,0,0|0,0,2]=4 13999 B13R0.54 C#CCCCCOCCCCC(=O)N 7a_100012022536_100010269958 [0,2,0,0,0,0|0,0,2]=4 14000 B13R0.54 C#CCCCCOCCCCC(C)C 34a_100000766709_100011216152 [0,2,0,0,0,0|1,0,1]=4 14001 B13R0.54 C#CCCCCOCCCCC(C)C 34a_100011214890_100010269958 [0,2,0,0,0,0|1,0,1]=4 14002 B13R0.54 C#CCCCCOCCCCC(C)C 7a_100000766709_100011216152 [0,2,0,0,0,0|1,0,1]=4 14003 B13R0.54 C#CCCCCOCCCCC(C)C 7a_100011214890_100010269958 [0,2,0,0,0,0|1,0,1]=4 14004 B13R0.54 C#CCCCCSCCCCC(=O)C 62a_100000735457_100010269958 [0,2,0,0,0,0|0,0,2]=4 14005 B13R0.54 C#CCCCCSCCCCC(=O)C 62a_100010269958_100000735457 [0,2,0,0,0,0|0,0,2]=4 14006 B13R0.54 C#CCCCCSCCCCC(C)C 62a_100010269958_100011216152 [0,2,0,0,0,0|1,0,1]=4 14007 B13R0.54 C#CCCCCSCCCCC(C)C 62a_100011216152_100010269958 [0,2,0,0,0,0|1,0,1]=4 14008 B13R0.54 C#CCCCNCCCCCC(=O)N 34a_100000718082_100009817443 [0,2,0,0,0,0|0,0,2]=4 14009 B13R0.54 C#CCCCNCCCCCC(C)C 2230a_100011290863_100000731252 [0,2,0,0,0,0|1,0,1]=4 14010 B13R0.54 C#CCCCNCCCCCC(C)C 34a_100000718082_100000210682 [0,2,0,0,0,0|1,0,1]=4 14011 B13R0.54 C#CCCCNCCCCCC(C)C 34a_100011290863_100000695029 [0,2,0,0,0,0|1,0,1]=4 14012 B13R0.54 C#CCCCOCCCCCC(=O)N 34a_100000123541_100000695029 [0,2,0,0,0,0|0,0,2]=4 14013 B13R0.54 C#CCCCOCCCCCC(=O)N 34a_100000215630_100009817443 [0,2,0,0,0,0|0,0,2]=4 14014 B13R0.54 C#CCCCOCCCCCC(=O)N 7a_100000123541_100011215417 [0,2,0,0,0,0|0,0,2]=4 14015 B13R0.54 C#CCCCOCCCCCC(=O)N 7a_100000215630_100009817443 [0,2,0,0,0,0|0,0,2]=4 14016 B13R0.54 C#CCCCOCCCCCC(=O)[O-] 7a_100102619762_100011215417 [0,2,0,0,0,0|0,0,2]=4 14017 B13R0.54 C#CCCCOCCCCCC(C)C 34a_100000215630_100000210682 [0,2,0,0,0,0|1,0,1]=4 14018 B13R0.54 C#CCCCOCCCCCC(C)C 34a_100011995859_100000695029 [0,2,0,0,0,0|1,0,1]=4 14019 B13R0.54 C#CCCCOCCCCCC(C)C 7a_100000215630_100000210682 [0,2,0,0,0,0|1,0,1]=4 14020 B13R0.54 C#CCCCOCCCCCC(C)C 7a_100011995859_100011215417 [0,2,0,0,0,0|1,0,1]=4 14021 B13R0.54 C#CCCCSCCCCCC(=O)N 62a_100009817443_100011215417 [0,2,0,0,0,0|0,0,2]=4 14022 B13R0.54 C#CCCCSCCCCCC(=O)N 62a_100011215417_100009817443 [0,2,0,0,0,0|0,0,2]=4 14023 B13R0.54 C#CCCCSCCCCCC(C)C 62a_100000210682_100011215417 [0,2,0,0,0,0|1,0,1]=4 14024 B13R0.54 C#CCCCSCCCCCC(C)C 62a_100011215417_100000210682 [0,2,0,0,0,0|1,0,1]=4 14025 B13R0.54 C#CCCNCCCCCCC(C)C 2230a_100000211014_100000688953 [0,2,0,0,0,0|1,0,1]=4 14026 B13R0.54 C#CCCNCCCCCCC(C)C 34a_100000211014_100000688953 [0,2,0,0,0,0|1,0,1]=4 14027 B13R0.54 C#CCOCCCCCCCC(C)C 34a_200000210741_100000184674 [0,2,0,0,0,0|1,0,1]=4 14028 B13R0.54 C#CCOCCCCCCCC(C)C 7a_200000210741_100000038162 [0,2,0,0,0,0|1,0,1]=4 14029 B13R0.54 C/C=C/CCOCCCCCC(=O)N 34a_100016278192_100009817443 [0,2,0,0,0,0|0,0,2]=4 14030 B13R0.54 C/C=C/CCOCCCCCC(C)C 34a_100016278192_100000210682 [0,2,0,0,0,0|1,0,1]=4 14031 B13R0.54 C/C=C/CNCCCCCCC(C)C 34a_100000211014_100102629194 [0,2,0,0,0,0|1,0,1]=4 14032 B13R0.54 C=C(Br)CCOCCCCCCCC 34a_100009813270_100000210759 [0,2,0,0,0,0|1,0,0]=3 14033 B13R0.54 C=C(Br)CCOCCCCCCCO 34a_100009813270_100000760002 [0,2,0,0,0,0|2,0,0]=4 14034 B13R0.54 C=C(Br)CCOCCCCCCOC 34a_100009813270_100011998445 [0,2,0,0,0,0|2,0,0]=4 14035 B13R0.54 C=C(C)CCNCCCCCCCC 2230a_100000229939_100000730704 [0,2,0,0,0,0|1,0,0]=3 14036 B13R0.54 C=C(C)CCNCCCCCCCC 34a_100000229939_100000730704 [0,2,0,0,0,0|1,0,0]=3 14037 B13R0.54 C=C(C)CCNCCCCCCCO 2230a_100011996573_100000730704 [0,2,0,0,0,0|2,0,0]=4 14038 B13R0.54 C=C(C)CCNCCCCCCCO 34a_100011996573_100000730704 [0,2,0,0,0,0|2,0,0]=4 14039 B13R0.54 C=C(C)CCNCCCOCCCC 2230a_200000211371_100000730704 [0,2,0,0,0,0|2,0,0]=4 14040 B13R0.54 C=C(C)CCNCCCOCCCC 34a_200000211371_100000730704 [0,2,0,0,0,0|2,0,0]=4 14041 B13R0.54 C=C(C)CCOCCCCCCCBr 34a_100000760002_100000730704 [0,2,0,0,0,0|2,0,0]=4 14042 B13R0.54 C=C(C)CCOCCCCCCCBr 7a_100000760002_100000730704 [0,2,0,0,0,0|2,0,0]=4 14043 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000210232_100000730704 [0,2,0,0,0,0|1,0,0]=3 14044 B13R0.54 C=C(C)CCOCCCCCCCC 34a_100000764851_100000210759 [0,2,0,0,0,0|1,0,0]=3 14045 B13R0.54 C=C(C)CCOCCCCCCCC 7a_100000210232_100000730704 [0,2,0,0,0,0|1,0,0]=3 14046 B13R0.54 C=C(C)CCOCCCCCCCN 34a_100011996573_100000730704 [0,2,0,0,0,0|2,0,0]=4 14047 B13R0.54 C=C(C)CCOCCCCCCCO 34a_100000764851_100000760002 [0,2,0,0,0,0|2,0,0]=4 14048 B13R0.54 C=C(C)CCOCCCCCCOC 34a_100000764851_100011998445 [0,2,0,0,0,0|2,0,0]=4 14049 B13R0.54 C=C(C)CCOCCCCCCOC 34a_200012092642_100000730704 [0,2,0,0,0,0|2,0,0]=4 14050 B13R0.54 C=C(C)CCOCCCCCCOC 7a_200012092642_100000730704 [0,2,0,0,0,0|2,0,0]=4 14051 B13R0.54 C=C(C)CCOCCCOCCCC 34a_200011215613_100000730704 [0,2,0,0,0,0|2,0,0]=4 14052 B13R0.54 C=C(C)CCOCCCOCCCC 7a_200011215613_100000730704 [0,2,0,0,0,0|2,0,0]=4 14053 B13R0.54 C=C(C)CCOCCNCCCCC 34a_100000224656_100000730704 [0,2,0,0,0,0|2,0,0]=4 14054 B13R0.54 C=C(C)CCOCCOCCCCC 34a_100011215259_100000730704 [0,2,0,0,0,0|2,0,0]=4 14055 B13R0.54 C=C(C)CCOCCOCCCCC 7a_100011215259_100000730704 [0,2,0,0,0,0|2,0,0]=4 14056 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000730704_100000760002 [0,2,0,0,0,0|2,0,0]=4 14057 B13R0.54 C=C(C)CCSCCCCCCCO 62a_100000760002_100000730704 [0,2,0,0,0,0|2,0,0]=4 14058 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100000730704_100011998445 [0,2,0,0,0,0|2,0,0]=4 14059 B13R0.54 C=C(C)CCSCCCCCCOC 62a_100011998445_100000730704 [0,2,0,0,0,0|2,0,0]=4 14060 B13R0.54 C=C(C)CNCCCCCCCCC 2230a_100000212291_100000748629 [0,2,0,0,0,0|1,0,0]=3 14061 B13R0.54 C=C(C)CNCCCCCCCCC 34a_100000212291_100000748629 [0,2,0,0,0,0|1,0,0]=3 14062 B13R0.54 C=C(C)CNCCCCCCCCO 2230a_102515433106_100000748629 [0,2,0,0,0,0|2,0,0]=4 14063 B13R0.54 C=C(C)CNCCCCCCCCO 34a_102515433106_100000748629 [0,2,0,0,0,0|2,0,0]=4 14064 B13R0.54 C=C(C)COCCCCCCCCBr 34a_100009813846_100000748629 [0,2,0,0,0,0|2,0,0]=4 14065 B13R0.54 C=C(C)COCCCCCCCCBr 7a_100009813846_100000748629 [0,2,0,0,0,0|2,0,0]=4 14066 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210245_100011214924 [0,2,0,0,0,0|1,0,0]=3 14067 B13R0.54 C=C(C)COCCCCCCCCC 34a_100000210712_100000748629 [0,2,0,0,0,0|1,0,0]=3 14068 B13R0.54 C=C(C)COCCCCCCCCC 7a_100000210712_100000748629 [0,2,0,0,0,0|1,0,0]=3 14069 B13R0.54 C=C(C)COCCCCCCCCCl 34a_100000033203_100000748629 [0,2,0,0,0,0|2,0,0]=4 14070 B13R0.54 C=C(C)COCCCCCCCCCl 7a_100000033203_100000748629 [0,2,0,0,0,0|2,0,0]=4 14071 B13R0.54 C=C(C)COCCCCCCCCN 34a_102515433106_100000748629 [0,2,0,0,0,0|2,0,0]=4 14072 B13R0.54 C=C(C)COCCCCCCCCO 34a_100000210245_100000033203 [0,2,0,0,0,0|2,0,0]=4 14073 B13R0.54 C=C(C)COCCCCNCCCC 34a_200011216965_100000748629 [0,2,0,0,0,0|2,0,0]=4 14074 B13R0.54 C=C(C)COCCCCOCCCC 34a_200000760531_100000748629 [0,2,0,0,0,0|2,0,0]=4 14075 B13R0.54 C=C(C)COCCCCOCCCC 7a_200000760531_100000748629 [0,2,0,0,0,0|2,0,0]=4 14076 B13R0.54 C=C(C)COCCOCCCCCC 34a_100000691444_100000748629 [0,2,0,0,0,0|2,0,0]=4 14077 B13R0.54 C=C(C)COCCOCCCCCC 7a_100000691444_100000748629 [0,2,0,0,0,0|2,0,0]=4 14078 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000033203_100000211660 [0,2,0,0,0,0|2,0,0]=4 14079 B13R0.54 C=C(C)CSCCCCCCCCO 62a_100000748629_100000033203 [0,2,0,0,0,0|2,0,0]=4 14080 B13R0.54 C=C(F)CNCCCCCCCCC 2230a_100000212291_100009893438 [0,2,0,0,0,0|1,0,0]=3 14081 B13R0.54 C=C(F)CNCCCCCCCCC 34a_100000212291_100009893438 [0,2,0,0,0,0|1,0,0]=3 14082 B13R0.54 C=C(F)CNCCCCCCCCO 2230a_102515433106_100009893438 [0,2,0,0,0,0|2,0,0]=4 14083 B13R0.54 C=C(F)CNCCCCCCCCO 34a_102515433106_100009893438 [0,2,0,0,0,0|2,0,0]=4 14084 B13R0.54 C=C(F)COCCCCCCCCBr 34a_100009813846_100009893438 [0,2,0,0,0,0|2,0,0]=4 14085 B13R0.54 C=C(F)COCCCCCCCCBr 7a_100009813846_100000042424 [0,2,0,0,0,0|2,0,0]=4 14086 B13R0.54 C=C(F)COCCCCCCCCC 34a_100000210712_100009893438 [0,2,0,0,0,0|1,0,0]=3 14087 B13R0.54 C=C(F)COCCCCCCCCC 34a_200010262243_100011214924 [0,2,0,0,0,0|1,0,0]=3 14088 B13R0.54 C=C(F)COCCCCCCCCC 7a_100000210712_100000042424 [0,2,0,0,0,0|1,0,0]=3 14089 B13R0.54 C=C(F)COCCCCCCCCCl 34a_100000033203_100009893438 [0,2,0,0,0,0|2,0,0]=4 14090 B13R0.54 C=C(F)COCCCCCCCCCl 7a_100000033203_100000042424 [0,2,0,0,0,0|2,0,0]=4 14091 B13R0.54 C=C(F)COCCCCCCCCN 34a_102515433106_100009893438 [0,2,0,0,0,0|2,0,0]=4 14092 B13R0.54 C=C(F)COCCCCCCCCO 34a_200010262243_100000033203 [0,2,0,0,0,0|2,0,0]=4 14093 B13R0.54 C=C(F)COCCCCNCCCC 34a_200011216965_100009893438 [0,2,0,0,0,0|2,0,0]=4 14094 B13R0.54 C=C(F)COCCCCOCCCC 34a_200000760531_100009893438 [0,2,0,0,0,0|2,0,0]=4 14095 B13R0.54 C=C(F)COCCCCOCCCC 7a_200000760531_100000042424 [0,2,0,0,0,0|2,0,0]=4 14096 B13R0.54 C=C(F)COCCOCCCCCC 34a_100000691444_100009893438 [0,2,0,0,0,0|2,0,0]=4 14097 B13R0.54 C=C(F)COCCOCCCCCC 7a_100000691444_100000042424 [0,2,0,0,0,0|2,0,0]=4 14098 B13R0.54 C=C(F)CSCCCCCCCCC 62a_100000042424_100000210670 [0,2,0,0,0,0|1,0,0]=3 14099 B13R0.54 C=C(F)CSCCCCCCCCO 62a_100000033203_100000042424 [0,2,0,0,0,0|2,0,0]=4 14100 B13R0.54 C=C(F)CSCCCCCCCCO 62a_100000042424_100000033203 [0,2,0,0,0,0|2,0,0]=4 14101 B13R0.54 C=CCCCCCCCCCC(=O)C 1458a_100000070787_100009814027 [0,2,0,0,0,0|0,0,1]=3 14102 B13R0.54 C=CCCCCCCCCCN(C)C 2230a_100102631434_100009814027 [0,2,0,0,0,0|1,0,0]=3 14103 B13R0.54 C=CCCCCCCCCCN(C)C 269982a_100102631434_100009814027 [0,2,0,0,0,0|1,0,0]=3 14104 B13R0.54 C=CCCCCCCCCNC(C)C 2230a_100138425928_100011933949 [0,2,0,0,0,0|1,0,0]=3 14105 B13R0.54 C=CCCCCCCCCNC(C)C 34a_100138425928_100011933949 [0,2,0,0,0,0|1,0,0]=3 14106 B13R0.54 C=CCCCCCCCCOC(C)C 34a_100000212225_100011933949 [0,2,0,0,0,0|1,0,0]=3 14107 B13R0.54 C=CCCCCCCCCOC(C)C 34a_100011215194_100000210206 [0,2,0,0,0,0|1,0,0]=3 14108 B13R0.54 C=CCCCCCCCCOC(C)C 7a_100011215194_100000210206 [0,2,0,0,0,0|1,0,0]=3 14109 B13R0.54 C=CCCCCCCCNCC(=O)N 2230a_100000711301_100012355270 [0,2,0,0,0,0|0,0,2]=4 14110 B13R0.54 C=CCCCCCCCNCC(=O)O 269956a_100016091260_100012355270 [0,2,0,0,0,0|0,0,2]=4 14111 B13R0.54 C=CCCCCCCCNCC(C)C 2230a_100000210953_100012355270 [0,2,0,0,0,0|1,0,0]=3 14112 B13R0.54 C=CCCCCCCCNCC(C)C 34a_100000210953_100012355270 [0,2,0,0,0,0|1,0,0]=3 14113 B13R0.54 C=CCCCCCCCNCC(C)O 2230a_100000210904_100012355270 [0,2,0,0,0,0|1,0,0]=3 14114 B13R0.54 C=CCCCCCCCNCC(C)O 34a_100000210904_100012355270 [0,2,0,0,0,0|1,0,0]=3 14115 B13R0.54 C=CCCCCCCCNCC(F)F 34a_100000765723_100012355270 [0,2,0,0,0,0|2,0,0]=4 14116 B13R0.54 C=CCCCCCCCOCC(=C)C 34a_100000210245_100012355270 [0,2,0,0,0,0|1,0,1]=4 14117 B13R0.54 C=CCCCCCCCOCC(=C)C 34a_100000730831_100000748629 [0,2,0,0,0,0|1,0,1]=4 14118 B13R0.54 C=CCCCCCCCOCC(=C)C 7a_100000730831_100000748629 [0,2,0,0,0,0|1,0,1]=4 14119 B13R0.54 C=CCCCCCCCOCC(=O)C 34a_100000211253_100012355270 [0,2,0,0,0,0|0,0,2]=4 14120 B13R0.54 C=CCCCCCCCOCC(=O)N 34a_100000730831_100000187820 [0,2,0,0,0,0|0,0,2]=4 14121 B13R0.54 C=CCCCCCCCOCC(=O)N 7a_100000730831_100000187820 [0,2,0,0,0,0|0,0,2]=4 14122 B13R0.54 C=CCCCCCCCOCC(=O)[O-] 34a_100000730831_100020667443 [0,2,0,0,0,0|0,0,2]=4 14123 B13R0.54 C=CCCCCCCCOCC(C)Br 34a_100012180447_100012355270 [0,2,0,0,0,0|1,0,0]=3 14124 B13R0.54 C=CCCCCCCCOCC(C)C 34a_100000210257_100012355270 [0,2,0,0,0,0|1,0,0]=3 14125 B13R0.54 C=CCCCCCCCOCC(C)C 34a_100000730831_100000210624 [0,2,0,0,0,0|1,0,0]=3 14126 B13R0.54 C=CCCCCCCCOCC(C)C 7a_100000730831_100000210760 [0,2,0,0,0,0|1,0,0]=3 14127 B13R0.54 C=CCCCCCCCOCC(C)F 34a_100015925927_100012355270 [0,2,0,0,0,0|1,0,0]=3 14128 B13R0.54 C=CCCCCCCCOCC(C)O 34a_100000730831_100011218427 [0,2,0,0,0,0|1,0,0]=3 14129 B13R0.54 C=CCCCCCCCOCC(C)O 7a_100000730831_100011218427 [0,2,0,0,0,0|1,0,0]=3 14130 B13R0.54 C=CCCCCCCCOCC(F)F 34a_100000730831_100011934356 [0,2,0,0,0,0|2,0,0]=4 14131 B13R0.54 C=CCCCCCCCOCC(F)F 34a_100000743014_100012355270 [0,2,0,0,0,0|2,0,0]=4 14132 B13R0.54 C=CCCCCCCCOCC(F)F 7a_100000730831_100011934356 [0,2,0,0,0,0|2,0,0]=4 14133 B13R0.54 C=CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100012355270 [0,2,0,0,0,0|1,0,0]=3 14134 B13R0.54 C=CCCCCCCCOC[C@@H](C)N 34a_100000737577_100012355270 [0,2,0,0,0,0|1,0,0]=3 14135 B13R0.54 C=CCCCCCCCOC[C@@H](C)O 34a_100000730831_100009817552 [0,2,0,0,0,0|1,0,0]=3 14136 B13R0.54 C=CCCCCCCCOC[C@@H](C)O 7a_100000730831_100009817552 [0,2,0,0,0,0|1,0,0]=3 14137 B13R0.54 C=CCCCCCCCSCC(=C)C 62a_100000748629_100012355270 [0,2,0,0,0,0|1,0,1]=4 14138 B13R0.54 C=CCCCCCCCSCC(=C)C 62a_100012355270_100000211660 [0,2,0,0,0,0|1,0,1]=4 14139 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100000747473_100012355270 [0,2,0,0,0,0|0,0,2]=4 14140 B13R0.54 C=CCCCCCCCSCC(=O)N 62a_100012355270_100000747473 [0,2,0,0,0,0|0,0,2]=4 14141 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100012355270_100020667443 [0,2,0,0,0,0|0,0,2]=4 14142 B13R0.54 C=CCCCCCCCSCC(=O)[O-] 62a_100020667443_100012355270 [0,2,0,0,0,0|0,0,2]=4 14143 B13R0.54 C=CCCCCCCCSCC(C)C 62a_100000210624_100012355270 [0,2,0,0,0,0|1,0,0]=3 14144 B13R0.54 C=CCCCCCCCSCC(C)C 62a_100012355270_100000210760 [0,2,0,0,0,0|1,0,0]=3 14145 B13R0.54 C=CCCCCCCCSCC(C)O 62a_100011218427_100012355270 [0,2,0,0,0,0|1,0,0]=3 14146 B13R0.54 C=CCCCCCCCSCC(C)O 62a_100012355270_100011218427 [0,2,0,0,0,0|1,0,0]=3 14147 B13R0.54 C=CCCCCCCCSCC(F)F 62a_100011934356_100012355270 [0,2,0,0,0,0|2,0,0]=4 14148 B13R0.54 C=CCCCCCCCSCC(F)F 62a_100012355270_100011934356 [0,2,0,0,0,0|2,0,0]=4 14149 B13R0.54 C=CCCCCCCCSC[C@@H](C)O 62a_100009817552_100012355270 [0,2,0,0,0,0|1,0,0]=3 14150 B13R0.54 C=CCCCCCCCSC[C@@H](C)O 62a_100012355270_100009817552 [0,2,0,0,0,0|1,0,0]=3 14151 B13R0.54 C=CCCCCCCNCCC(C)O 2230a_200000755665_100011215473 [0,2,0,0,0,0|1,0,0]=3 14152 B13R0.54 C=CCCCCCCOCCC(=C)C 34a_100000764851_100011215473 [0,2,0,0,0,0|1,0,1]=4 14153 B13R0.54 C=CCCCCCCOCCC(=C)C 34a_200011216477_100000730704 [0,2,0,0,0,0|1,0,1]=4 14154 B13R0.54 C=CCCCCCCOCCC(=C)C 7a_200011216477_100000730704 [0,2,0,0,0,0|1,0,1]=4 14155 B13R0.54 C=CCCCCCCOCCC(=O)C 34a_100000759926_100011215473 [0,2,0,0,0,0|0,0,2]=4 14156 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_100000759926_100011215473 [0,2,0,0,0,0|0,0,2]=4 14157 B13R0.54 C=CCCCCCCOCCC(=O)C 7a_200011216477_100000053229 [0,2,0,0,0,0|0,0,2]=4 14158 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_100000757172_100011215473 [0,2,0,0,0,0|0,0,2]=4 14159 B13R0.54 C=CCCCCCCOCCC(=O)N 34a_200011216477_100000731001 [0,2,0,0,0,0|0,0,2]=4 14160 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_100000757172_100011215473 [0,2,0,0,0,0|0,0,2]=4 14161 B13R0.54 C=CCCCCCCOCCC(=O)N 7a_200011216477_100000744528 [0,2,0,0,0,0|0,0,2]=4 14162 B13R0.54 C=CCCCCCCOCCC(C)Br 34a_100009893172_100011215473 [0,2,0,0,0,0|1,0,0]=3 14163 B13R0.54 C=CCCCCCCOCCC(C)C 34a_100000210254_100011215473 [0,2,0,0,0,0|1,0,0]=3 14164 B13R0.54 C=CCCCCCCOCCC(C)C 34a_200011216477_100000210312 [0,2,0,0,0,0|1,0,0]=3 14165 B13R0.54 C=CCCCCCCOCCC(C)C 7a_100000210254_100011215473 [0,2,0,0,0,0|1,0,0]=3 14166 B13R0.54 C=CCCCCCCOCCC(C)C 7a_200011216477_100000210626 [0,2,0,0,0,0|1,0,0]=3 14167 B13R0.54 C=CCCCCCCOCCC(C)O 34a_200011216477_100012276601 [0,2,0,0,0,0|1,0,0]=3 14168 B13R0.54 C=CCCCCCCOCCC(C)O 7a_200011216477_100012276601 [0,2,0,0,0,0|1,0,0]=3 14169 B13R0.54 C=CCCCCCCOCCC(F)F 34a_100103093639_100011215473 [0,2,0,0,0,0|2,0,0]=4 14170 B13R0.54 C=CCCCCCCOCCN(C)C 7a_200011216477_100000755713 [0,2,0,0,0,0|2,0,0]=4 14171 B13R0.54 C=CCCCCCCOCC[C@@H](C)N 34a_100000706166_100011215473 [0,2,0,0,0,0|1,0,0]=3 14172 B13R0.54 C=CCCCCCCOCOC(C)C 34a_200011216477_100000709892 [0,2,0,0,0,0|2,0,0]=4 14173 B13R0.54 C=CCCCCCCSCCC(=C)C 62a_100000730704_100011215473 [0,2,0,0,0,0|1,0,1]=4 14174 B13R0.54 C=CCCCCCCSCCC(=C)C 62a_100011215473_100000730704 [0,2,0,0,0,0|1,0,1]=4 14175 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100000053229_100011215473 [0,2,0,0,0,0|0,0,2]=4 14176 B13R0.54 C=CCCCCCCSCCC(=O)C 62a_100011215473_100000053229 [0,2,0,0,0,0|0,0,2]=4 14177 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100000744528_100011215473 [0,2,0,0,0,0|0,0,2]=4 14178 B13R0.54 C=CCCCCCCSCCC(=O)N 62a_100011215473_100000744528 [0,2,0,0,0,0|0,0,2]=4 14179 B13R0.54 C=CCCCCCCSCCC(C)C 62a_100000210312_100011215473 [0,2,0,0,0,0|1,0,0]=3 14180 B13R0.54 C=CCCCCCCSCCC(C)C 62a_100011215473_100000210312 [0,2,0,0,0,0|1,0,0]=3 14181 B13R0.54 C=CCCCCCCSCCC(C)O 62a_100011215473_100012276601 [0,2,0,0,0,0|1,0,0]=3 14182 B13R0.54 C=CCCCCCCSCCC(C)O 62a_100012276601_100011215473 [0,2,0,0,0,0|1,0,0]=3 14183 B13R0.54 C=CCCCCCCSCCN(C)C 62a_100011215473_100000755713 [0,2,0,0,0,0|2,0,0]=4 14184 B13R0.54 C=CCCCCCCSCOC(C)C 62a_100000709892_100011215473 [0,2,0,0,0,0|2,0,0]=4 14185 B13R0.54 C=CCCCCCCSCOC(C)C 62a_100011215473_100000709892 [0,2,0,0,0,0|2,0,0]=4 14186 B13R0.54 C=CCCCCCNCCCC(=O)N 34a_100000739312_100000700193 [0,2,0,0,0,0|0,0,2]=4 14187 B13R0.54 C=CCCCCCNCCCC(C)C 2230a_200000737386_100000700193 [0,2,0,0,0,0|1,0,0]=3 14188 B13R0.54 C=CCCCCCNCCCC(C)C 34a_200000737386_100000700193 [0,2,0,0,0,0|1,0,0]=3 14189 B13R0.54 C=CCCCCCNCCCS(=O)C 2230a_200000753449_100000700193 [0,2,0,0,0,0|2,0,0]=4 14190 B13R0.54 C=CCCCCCNCCOC(C)C 2230a_100000701111_100000700193 [0,2,0,0,0,0|2,0,0]=4 14191 B13R0.54 C=CCCCCCNCCOC(C)C 34a_100000701111_100000700193 [0,2,0,0,0,0|2,0,0]=4 14192 B13R0.54 C=CCCCCCNCCSC(C)C 2230a_100000731138_100000700193 [0,2,0,0,0,0|2,0,0]=4 14193 B13R0.54 C=CCCCCCNCCSC(C)C 34a_100000731138_100000700193 [0,2,0,0,0,0|2,0,0]=4 14194 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100000759063_100000700193 [0,2,0,0,0,0|0,0,2]=4 14195 B13R0.54 C=CCCCCCOCCCC(=O)C 34a_100011216702_100000685027 [0,2,0,0,0,0|0,0,2]=4 14196 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100000759063_100000700193 [0,2,0,0,0,0|0,0,2]=4 14197 B13R0.54 C=CCCCCCOCCCC(=O)C 7a_100011216702_100011215641 [0,2,0,0,0,0|0,0,2]=4 14198 B13R0.54 C=CCCCCCOCCCC(=O)N 34a_100011216702_100102525003 [0,2,0,0,0,0|0,0,2]=4 14199 B13R0.54 C=CCCCCCOCCCC(=O)N 7a_100011216702_100102525003 [0,2,0,0,0,0|0,0,2]=4 14200 B13R0.54 C=CCCCCCOCCCC(C)C 34a_100000210774_100000700193 [0,2,0,0,0,0|1,0,0]=3 14201 B13R0.54 C=CCCCCCOCCCC(C)C 34a_100011216702_100011214892 [0,2,0,0,0,0|1,0,0]=3 14202 B13R0.54 C=CCCCCCOCCCC(C)C 7a_100000210774_100000700193 [0,2,0,0,0,0|1,0,0]=3 14203 B13R0.54 C=CCCCCCOCCCC(C)C 7a_100011216702_100011214892 [0,2,0,0,0,0|1,0,0]=3 14204 B13R0.54 C=CCCCCCOCCCC(C)O 34a_100011216702_200000718107 [0,2,0,0,0,0|1,0,0]=3 14205 B13R0.54 C=CCCCCCOCCCC(C)O 7a_100011216702_200000718107 [0,2,0,0,0,0|1,0,0]=3 14206 B13R0.54 C=CCCCCCOCCCN(C)C 7a_100011216702_100000757444 [0,2,0,0,0,0|2,0,0]=4 14207 B13R0.54 C=CCCCCCOCCNC(C)C 34a_100000224655_100000700193 [0,2,0,0,0,0|2,0,0]=4 14208 B13R0.54 C=CCCCCCOCCOC(C)C 34a_100000211219_100000700193 [0,2,0,0,0,0|2,0,0]=4 14209 B13R0.54 C=CCCCCCOCCOC(C)C 34a_100011216702_100000211751 [0,2,0,0,0,0|2,0,0]=4 14210 B13R0.54 C=CCCCCCOCCOC(C)C 7a_100000211219_100000700193 [0,2,0,0,0,0|2,0,0]=4 14211 B13R0.54 C=CCCCCCOCCOC(C)C 7a_100011216702_100000211751 [0,2,0,0,0,0|2,0,0]=4 14212 B13R0.54 C=CCCCCCOCCSC(C)C 34a_100011216702_100000730970 [0,2,0,0,0,0|2,0,0]=4 14213 B13R0.54 C=CCCCCCOCCSC(C)C 34a_200011212901_100000700193 [0,2,0,0,0,0|2,0,0]=4 14214 B13R0.54 C=CCCCCCOCCSC(C)C 7a_100011216702_100000730970 [0,2,0,0,0,0|2,0,0]=4 14215 B13R0.54 C=CCCCCCOCCSC(C)C 7a_200011212901_100000700193 [0,2,0,0,0,0|2,0,0]=4 14216 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100000700193_100011215641 [0,2,0,0,0,0|0,0,2]=4 14217 B13R0.54 C=CCCCCCSCCCC(=O)C 62a_100011215641_100000700193 [0,2,0,0,0,0|0,0,2]=4 14218 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100000700193_100102525003 [0,2,0,0,0,0|0,0,2]=4 14219 B13R0.54 C=CCCCCCSCCCC(=O)N 62a_100102525003_100000700193 [0,2,0,0,0,0|0,0,2]=4 14220 B13R0.54 C=CCCCCCSCCCC(C)C 62a_100000700193_100011214892 [0,2,0,0,0,0|1,0,0]=3 14221 B13R0.54 C=CCCCCCSCCCC(C)C 62a_100011214892_100000700193 [0,2,0,0,0,0|1,0,0]=3 14222 B13R0.54 C=CCCCCCSCCCC(C)O 62a_100000700193_200000718107 [0,2,0,0,0,0|1,0,0]=3 14223 B13R0.54 C=CCCCCCSCCCC(C)O 62a_200000718107_100000700193 [0,2,0,0,0,0|1,0,0]=3 14224 B13R0.54 C=CCCCCCSCCCN(C)C 62a_100000700193_100000757444 [0,2,0,0,0,0|2,0,0]=4 14225 B13R0.54 C=CCCCCCSCCOC(C)C 62a_100000211751_100000700193 [0,2,0,0,0,0|2,0,0]=4 14226 B13R0.54 C=CCCCCCSCCOC(C)C 62a_100000700193_100000211751 [0,2,0,0,0,0|2,0,0]=4 14227 B13R0.54 C=CCCCCCSCCSC(C)C 62a_100000700193_100000730970 [0,2,0,0,0,0|2,0,0]=4 14228 B13R0.54 C=CCCCCCSCCSC(C)C 62a_100000730970_100000700193 [0,2,0,0,0,0|2,0,0]=4 14229 B13R0.54 C=CCCCCNCCCCC(=O)C 34a_100000703577_100009817362 [0,2,0,0,0,0|0,0,2]=4 14230 B13R0.54 C=CCCCCNCCCCC(=O)N 34a_100000696515_100011215482 [0,2,0,0,0,0|0,0,2]=4 14231 B13R0.54 C=CCCCCNCCCCC(C)C 2230a_100000703577_100011216152 [0,2,0,0,0,0|1,0,0]=3 14232 B13R0.54 C=CCCCCNCCCCC(C)C 34a_100000703577_100011216152 [0,2,0,0,0,0|1,0,0]=3 14233 B13R0.54 C=CCCCCNCCCOC(C)C 2230a_100000737246_100011215482 [0,2,0,0,0,0|2,0,0]=4 14234 B13R0.54 C=CCCCCNCCCOC(C)C 34a_100000737246_100011215482 [0,2,0,0,0,0|2,0,0]=4 14235 B13R0.54 C=CCCCCOCCCCC(=O)C 34a_100000766645_100009817362 [0,2,0,0,0,0|0,0,2]=4 14236 B13R0.54 C=CCCCCOCCCCC(=O)C 7a_100000766645_100000735457 [0,2,0,0,0,0|0,0,2]=4 14237 B13R0.54 C=CCCCCOCCCCC(=O)N 34a_100012022536_100011215482 [0,2,0,0,0,0|0,0,2]=4 14238 B13R0.54 C=CCCCCOCCCCC(=O)N 7a_100012022536_100011215482 [0,2,0,0,0,0|0,0,2]=4 14239 B13R0.54 C=CCCCCOCCCCC(C)C 34a_100000766645_100011216152 [0,2,0,0,0,0|1,0,0]=3 14240 B13R0.54 C=CCCCCOCCCCC(C)C 34a_100011214890_100011215482 [0,2,0,0,0,0|1,0,0]=3 14241 B13R0.54 C=CCCCCOCCCCC(C)C 7a_100000766645_100011216152 [0,2,0,0,0,0|1,0,0]=3 14242 B13R0.54 C=CCCCCOCCCCC(C)C 7a_100011214890_100011215482 [0,2,0,0,0,0|1,0,0]=3 14243 B13R0.54 C=CCCCCOCCCNC(C)C 34a_100000182298_100011215482 [0,2,0,0,0,0|2,0,0]=4 14244 B13R0.54 C=CCCCCOCCNCC(C)C 34a_100015185251_100011215482 [0,2,0,0,0,0|2,0,0]=4 14245 B13R0.54 C=CCCCCOCCOCC(C)C 34a_100000703358_100011215482 [0,2,0,0,0,0|2,0,0]=4 14246 B13R0.54 C=CCCCCOCCOCC(C)C 7a_100000703358_100011215482 [0,2,0,0,0,0|2,0,0]=4 14247 B13R0.54 C=CCCCCOCCSCC(C)C 34a_200000230437_100011215482 [0,2,0,0,0,0|2,0,0]=4 14248 B13R0.54 C=CCCCCOCCSCC(C)C 7a_200000230437_100011215482 [0,2,0,0,0,0|2,0,0]=4 14249 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100000735457_100011215482 [0,2,0,0,0,0|0,0,2]=4 14250 B13R0.54 C=CCCCCSCCCCC(=O)C 62a_100011215482_100000735457 [0,2,0,0,0,0|0,0,2]=4 14251 B13R0.54 C=CCCCCSCCCCC(C)C 62a_100011215482_100011216152 [0,2,0,0,0,0|1,0,0]=3 14252 B13R0.54 C=CCCCCSCCCCC(C)C 62a_100011216152_100011215482 [0,2,0,0,0,0|1,0,0]=3 14253 B13R0.54 C=CCCCCSCCCCN(C)C 62a_100011215482_100000690147 [0,2,0,0,0,0|2,0,0]=4 14254 B13R0.54 C=CCCCNCCCCCC(=O)N 2230a_100000700776_100009817443 [0,2,0,0,0,0|0,0,2]=4 14255 B13R0.54 C=CCCCNCCCCCC(=O)N 34a_100000700776_100009817443 [0,2,0,0,0,0|0,0,2]=4 14256 B13R0.54 C=CCCCNCCCCCC(C)C 2230a_100000700776_100000210682 [0,2,0,0,0,0|1,0,0]=3 14257 B13R0.54 C=CCCCNCCCCCC(C)C 2230a_100011290863_100011713584 [0,2,0,0,0,0|1,0,0]=3 14258 B13R0.54 C=CCCCNCCCCCC(C)C 34a_100000700776_100000210682 [0,2,0,0,0,0|1,0,0]=3 14259 B13R0.54 C=CCCCNCCCCCC(C)C 34a_100011290863_100000757094 [0,2,0,0,0,0|1,0,0]=3 14260 B13R0.54 C=CCCCNCCCOCC(C)C 2230a_100000205972_100011713584 [0,2,0,0,0,0|2,0,0]=4 14261 B13R0.54 C=CCCCNCCCOCC(C)C 34a_100000205972_100000757094 [0,2,0,0,0,0|2,0,0]=4 14262 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000123541_100000757094 [0,2,0,0,0,0|0,0,2]=4 14263 B13R0.54 C=CCCCOCCCCCC(=O)N 34a_100000758997_100009817443 [0,2,0,0,0,0|0,0,2]=4 14264 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000123541_100000757094 [0,2,0,0,0,0|0,0,2]=4 14265 B13R0.54 C=CCCCOCCCCCC(=O)N 7a_100000758997_100009817443 [0,2,0,0,0,0|0,0,2]=4 14266 B13R0.54 C=CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000757094 [0,2,0,0,0,0|0,0,2]=4 14267 B13R0.54 C=CCCCOCCCCCC(C)C 34a_100000758997_100000210682 [0,2,0,0,0,0|1,0,0]=3 14268 B13R0.54 C=CCCCOCCCCCC(C)C 34a_100011995859_100000757094 [0,2,0,0,0,0|1,0,0]=3 14269 B13R0.54 C=CCCCOCCCCCC(C)C 7a_100000758997_100000210682 [0,2,0,0,0,0|1,0,0]=3 14270 B13R0.54 C=CCCCOCCCCCC(C)C 7a_100011995859_100000757094 [0,2,0,0,0,0|1,0,0]=3 14271 B13R0.54 C=CCCCOCCCCNC(C)C 34a_100011521146_100000757094 [0,2,0,0,0,0|2,0,0]=4 14272 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100009817443_100000757094 [0,2,0,0,0,0|0,0,2]=4 14273 B13R0.54 C=CCCCSCCCCCC(=O)N 62a_100011713584_100009817443 [0,2,0,0,0,0|0,0,2]=4 14274 B13R0.54 C=CCCCSCCCCCC(C)C 62a_100000210682_100000757094 [0,2,0,0,0,0|1,0,0]=3 14275 B13R0.54 C=CCCCSCCCCCC(C)C 62a_100011713584_100000210682 [0,2,0,0,0,0|1,0,0]=3 14276 B13R0.54 C=CCCNCCCCCCC(C)C 2230a_100000211014_100000754431 [0,2,0,0,0,0|1,0,0]=3 14277 B13R0.54 C=CCCNCCCCCCC(C)C 34a_100000211014_100000754431 [0,2,0,0,0,0|1,0,0]=3 14278 B13R0.54 C=CCCOCCCCCNC(C)C 34a_100011629493_100000754431 [0,2,0,0,0,0|2,0,0]=4 14279 B13R0.54 C=CCOCCCCCCCC(C)C 34a_200000210741_100015514636 [0,2,0,0,0,0|1,0,0]=3 14280 B13R0.54 C=CCOCCCCCCCC(C)C 7a_200000210741_100015514636 [0,2,0,0,0,0|1,0,0]=3 14281 B13R0.54 C=CCOCCOCCCCC(C)C 34a_100000037705_100011216152 [0,2,0,0,0,0|2,0,0]=4 14282 B13R0.54 C=CCOCCOCCCCC(C)C 7a_100000037705_100011216152 [0,2,0,0,0,0|2,0,0]=4 14283 B13R0.54 C=COCCCCOCCCC(C)C 34a_100000031558_100011214892 [0,2,0,0,0,0|2,0,0]=4 14284 B13R0.54 C=COCCCCOCCCC(C)C 7a_100000031558_100011214892 [0,2,0,0,0,0|2,0,0]=4 14285 B13R0.54 C=COCCCCOCCCC(C)O 34a_100000031558_200000718107 [0,2,0,0,0,0|2,0,0]=4 14286 B13R0.54 C=COCCCCOCCCC(C)O 7a_100000031558_200000718107 [0,2,0,0,0,0|2,0,0]=4 14287 B13R0.54 C=COCCCNCCCCC(C)C 2230a_100000210767_100011216152 [0,2,0,0,0,0|2,0,0]=4 14288 B13R0.54 C=COCCCNCCCCC(C)C 34a_100000210767_100011216152 [0,2,0,0,0,0|2,0,0]=4 14289 B13R0.54 C=COCCNCCCCCC(C)C 2230a_100011290863_100000039644 [0,2,0,0,0,0|2,0,0]=4 14290 B13R0.54 C=COCCNCCCCCC(C)C 34a_100011290863_100000039644 [0,2,0,0,0,0|2,0,0]=4 14291 B13R0.54 C=COCCOCCCCCC(C)C 34a_100000033082_100000210682 [0,2,0,0,0,0|2,0,0]=4 14292 B13R0.54 C=COCCOCCCCCC(C)C 34a_100011995859_100000039644 [0,2,0,0,0,0|2,0,0]=4 14293 B13R0.54 C=COCCOCCCCCC(C)C 7a_100011995859_100000039644 [0,2,0,0,0,0|2,0,0]=4 14294 B13R0.54 C=COCCSCCCCCC(C)C 62a_100000039644_100000210682 [0,2,0,0,0,0|2,0,0]=4 14295 B13R0.54 C=COCCSCCCCCC(C)C 62a_100000210682_100000039644 [0,2,0,0,0,0|2,0,0]=4 14296 B13R0.54 CC#CCCOCCCCCC(=O)N 34a_100000750427_100009817443 [0,2,0,0,0,0|0,0,2]=4 14297 B13R0.54 CC(=CCCSCCCCCC=O)C 62a_100000139337_100011217483 [0,2,0,0,0,0|0,0,2]=4 14298 B13R0.54 CC(=CCCSCCCCCC=O)C 62a_100011217483_100000139337 [0,2,0,0,0,0|0,0,2]=4 14299 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [0,2,0,0,0,0|0,0,0]=2 14300 B13R0.54 CC(=O)CCCCNCCCCCO 34a_100000762737_100009817362 [0,2,0,0,0,0|1,0,0]=3 14301 B13R0.54 CC(=O)CCCCNCCOCCO 34a_100000211614_100009817362 [0,2,0,0,0,0|2,0,0]=4 14302 B13R0.54 CC(=O)CCCCOCCCCCBr 34a_100000746331_100009817362 [0,2,0,0,0,0|1,0,0]=3 14303 B13R0.54 CC(=O)CCCCOCCCCCBr 7a_100000746331_100000735457 [0,2,0,0,0,0|1,0,0]=3 14304 B13R0.54 CC(=O)CCCCOCCCCCCl 34a_100000746330_100009817362 [0,2,0,0,0,0|1,0,0]=3 14305 B13R0.54 CC(=O)CCCCOCCCCCCl 7a_100000746330_100000735457 [0,2,0,0,0,0|1,0,0]=3 14306 B13R0.54 CC(=O)CCCCOCCCCCI 34a_200012148887_100009817362 [0,2,0,0,0,0|1,0,0]=3 14307 B13R0.54 CC(=O)CCCCOCCCCCI 7a_200012148887_100000735457 [0,2,0,0,0,0|1,0,0]=3 14308 B13R0.54 CC(=O)CCCCOCCCCCN 34a_100000762737_100009817362 [0,2,0,0,0,0|1,0,0]=3 14309 B13R0.54 CC(=O)CCCCOCCOCCBr 34a_100000692535_100009817362 [0,2,0,0,0,0|2,0,0]=4 14310 B13R0.54 CC(=O)CCCCOCCOCCBr 7a_100000692535_100000735457 [0,2,0,0,0,0|2,0,0]=4 14311 B13R0.54 CC(=O)CCCCOCCOCCCl 34a_100011215305_100009817362 [0,2,0,0,0,0|2,0,0]=4 14312 B13R0.54 CC(=O)CCCCOCCOCCCl 7a_100011215305_100000735457 [0,2,0,0,0,0|2,0,0]=4 14313 B13R0.54 CC(=O)CCCCOCCOCCF 34a_200015357709_100009817362 [0,2,0,0,0,0|2,0,0]=4 14314 B13R0.54 CC(=O)CCCCOCCOCCF 7a_200015357709_100000735457 [0,2,0,0,0,0|2,0,0]=4 14315 B13R0.54 CC(=O)CCCCOCCOCCI 34a_100012149058_100009817362 [0,2,0,0,0,0|2,0,0]=4 14316 B13R0.54 CC(=O)CCCCOCCOCCI 7a_100012149058_100000735457 [0,2,0,0,0,0|2,0,0]=4 14317 B13R0.54 CC(=O)CCCCOCCOCCN 34a_100000211614_100009817362 [0,2,0,0,0,0|2,0,0]=4 14318 B13R0.54 CC(=O)CCCCSCCCCC#N 62a_100000735457_100000211819 [0,2,0,0,0,0|1,0,1]=4 14319 B13R0.54 CC(=O)CCCCSCCCCC#N 62a_100011219923_100000735457 [0,2,0,0,0,0|1,0,1]=4 14320 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000139335_100000735457 [0,2,0,0,0,0|0,0,1]=3 14321 B13R0.54 CC(=O)CCCCSCCCCC=O 62a_100000735457_100000139335 [0,2,0,0,0,0|0,0,1]=3 14322 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000729378_100000735457 [0,2,0,0,0,0|1,0,0]=3 14323 B13R0.54 CC(=O)CCCCSCCCCCF 62a_100000735457_100000729378 [0,2,0,0,0,0|1,0,0]=3 14324 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000735457_100000746330 [0,2,0,0,0,0|1,0,0]=3 14325 B13R0.54 CC(=O)CCCCSCCCCCO 62a_100000746330_100000735457 [0,2,0,0,0,0|1,0,0]=3 14326 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100000735457_100011215305 [0,2,0,0,0,0|2,0,0]=4 14327 B13R0.54 CC(=O)CCCCSCCOCCO 62a_100011215305_100000735457 [0,2,0,0,0,0|2,0,0]=4 14328 B13R0.54 CC(=O)CCCNCCCCCCO 34a_100000686447_100000685027 [0,2,0,0,0,0|1,0,0]=3 14329 B13R0.54 CC(=O)CCCOCCCCCC#N 7a_100000759063_100009813376 [0,2,0,0,0,0|1,0,1]=4 14330 B13R0.54 CC(=O)CCCOCCCCCC=O 7a_100000759063_100000139337 [0,2,0,0,0,0|0,0,1]=3 14331 B13R0.54 CC(=O)CCCOCCCCCCBr 34a_100011215345_100000685027 [0,2,0,0,0,0|1,0,0]=3 14332 B13R0.54 CC(=O)CCCOCCCCCCBr 7a_100011215345_100011215641 [0,2,0,0,0,0|1,0,0]=3 14333 B13R0.54 CC(=O)CCCOCCCCCCCl 34a_100000766143_100000685027 [0,2,0,0,0,0|1,0,0]=3 14334 B13R0.54 CC(=O)CCCOCCCCCCCl 7a_100000766143_100011215641 [0,2,0,0,0,0|1,0,0]=3 14335 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000732779_100000685027 [0,2,0,0,0,0|1,0,0]=3 14336 B13R0.54 CC(=O)CCCOCCCCCCF 34a_100000759063_100015922095 [0,2,0,0,0,0|1,0,0]=3 14337 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000732779_100011215641 [0,2,0,0,0,0|1,0,0]=3 14338 B13R0.54 CC(=O)CCCOCCCCCCF 7a_100000759063_100015922095 [0,2,0,0,0,0|1,0,0]=3 14339 B13R0.54 CC(=O)CCCOCCCCCCN 34a_100000686447_100000685027 [0,2,0,0,0,0|1,0,0]=3 14340 B13R0.54 CC(=O)CCCOCCCCCCO 34a_100000759063_100000766143 [0,2,0,0,0,0|1,0,0]=3 14341 B13R0.54 CC(=O)CCCOCCCCCCO 7a_100000759063_100000766143 [0,2,0,0,0,0|1,0,0]=3 14342 B13R0.54 CC(=O)CCCSCCCCCC#N 62a_100009813376_100011215641 [0,2,0,0,0,0|1,0,1]=4 14343 B13R0.54 CC(=O)CCCSCCCCCC#N 62a_100011215641_100009813376 [0,2,0,0,0,0|1,0,1]=4 14344 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100000139337_100011215641 [0,2,0,0,0,0|0,0,1]=3 14345 B13R0.54 CC(=O)CCCSCCCCCC=O 62a_100011215641_100000139337 [0,2,0,0,0,0|0,0,1]=3 14346 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100011215641_100015922095 [0,2,0,0,0,0|1,0,0]=3 14347 B13R0.54 CC(=O)CCCSCCCCCCF 62a_100015922095_100011215641 [0,2,0,0,0,0|1,0,0]=3 14348 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100000766143_100011215641 [0,2,0,0,0,0|1,0,0]=3 14349 B13R0.54 CC(=O)CCCSCCCCCCO 62a_100011215641_100000766143 [0,2,0,0,0,0|1,0,0]=3 14350 B13R0.54 CC(=O)CCOCCCCCCC#N 7a_100000759926_100009813337 [0,2,0,0,0,0|1,0,1]=4 14351 B13R0.54 CC(=O)CCOCCCCCCCBr 7a_100000760002_100000053229 [0,2,0,0,0,0|1,0,0]=3 14352 B13R0.54 CC(=O)CCOCCCCCCCO 34a_100000759926_100000760002 [0,2,0,0,0,0|1,0,0]=3 14353 B13R0.54 CC(=O)CCOCCCCCCCO 7a_100000759926_100000760002 [0,2,0,0,0,0|1,0,0]=3 14354 B13R0.54 CC(=O)CCSCCCCCCC#N 62a_100000053229_100009813337 [0,2,0,0,0,0|1,0,1]=4 14355 B13R0.54 CC(=O)CCSCCCCCCC#N 62a_100009813337_100000053229 [0,2,0,0,0,0|1,0,1]=4 14356 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000053229_100000760002 [0,2,0,0,0,0|1,0,0]=3 14357 B13R0.54 CC(=O)CCSCCCCCCCO 62a_100000760002_100000053229 [0,2,0,0,0,0|1,0,0]=3 14358 B13R0.54 CC(=O)COCCCCCCCCO 34a_100000211253_100000033203 [0,2,0,0,0,0|1,0,0]=3 14359 B13R0.54 CC(=O)NCCCCCCCCCO 240690a_100000078944_100015343762 [0,2,0,0,0,0|1,0,0]=3 14360 B13R0.54 CC(=O)NCCCCCCNCC=O 2230a_200011996284_200015260668 [0,2,0,0,0,0|1,0,1]=4 14361 B13R0.54 CC(=O)NCCCCCCNCC=O 34a_200011996284_200009817547 [0,2,0,0,0,0|1,0,1]=4 14362 B13R0.54 CC(=O)NCCCCCCNCCF 2230a_200011996284_100011217306 [0,2,0,0,0,0|2,0,0]=4 14363 B13R0.54 CC(=O)NCCCCCCNCCF 34a_200011996284_100011217306 [0,2,0,0,0,0|2,0,0]=4 14364 B13R0.54 CC(=O)NCCCCCCNCCO 2230a_200011996284_100000211926 [0,2,0,0,0,0|2,0,0]=4 14365 B13R0.54 CC(=O)NCCCCCCNCCO 34a_200011996284_100000211926 [0,2,0,0,0,0|2,0,0]=4 14366 B13R0.54 CC(=O)NCCCCCNCCCF 2230a_200012022750_100011934791 [0,2,0,0,0,0|2,0,0]=4 14367 B13R0.54 CC(=O)NCCCCCNCCCF 34a_200012022750_100011934791 [0,2,0,0,0,0|2,0,0]=4 14368 B13R0.54 CC(=O)NCCCCCNCCCO 2230a_200012022750_100000230001 [0,2,0,0,0,0|2,0,0]=4 14369 B13R0.54 CC(=O)NCCCCCNCCCO 34a_200012022750_100000230001 [0,2,0,0,0,0|2,0,0]=4 14370 B13R0.54 CC(=O)NCCCCNCCCC=O 2230a_200011368371_200011292268 [0,2,0,0,0,0|1,0,1]=4 14371 B13R0.54 CC(=O)NCCCCNCCCCF 2230a_200011368371_100000729493 [0,2,0,0,0,0|2,0,0]=4 14372 B13R0.54 CC(=O)NCCCCNCCCCF 34a_200011368371_100000729493 [0,2,0,0,0,0|2,0,0]=4 14373 B13R0.54 CC(=O)NCCCCNCCCCO 2230a_200011368371_100000210776 [0,2,0,0,0,0|2,0,0]=4 14374 B13R0.54 CC(=O)NCCCCNCCCCO 34a_200011368371_100011216708 [0,2,0,0,0,0|2,0,0]=4 14375 B13R0.54 CC(=O)NCCCNCCCCCF 34a_100000736810_100000729378 [0,2,0,0,0,0|2,0,0]=4 14376 B13R0.54 CC(=O)NCCCNCCCCCO 34a_100000736810_100000746330 [0,2,0,0,0,0|2,0,0]=4 14377 B13R0.54 CC(=O)NCCCOCCCCCF 34a_100000752032_100000729378 [0,2,0,0,0,0|2,0,0]=4 14378 B13R0.54 CC(=O)NCCCOCCCCCO 34a_100000752032_100000746330 [0,2,0,0,0,0|2,0,0]=4 14379 B13R0.54 CC(=O)NCCNCCCCCC=O 2230a_100000209853_100000139337 [0,2,0,0,0,0|1,0,1]=4 14380 B13R0.54 CC(=O)NCCNCCCCCCF 2230a_100000209853_100015922095 [0,2,0,0,0,0|2,0,0]=4 14381 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000209853_100000766143 [0,2,0,0,0,0|2,0,0]=4 14382 B13R0.54 CC(=O)NCCNCCCCCCO 2230a_100000686447_100000189650 [0,2,0,0,0,0|2,0,0]=4 14383 B13R0.54 CC(=O)NCCOCCCCCCBr 7a_100011215345_100000189650 [0,2,0,0,0,0|2,0,0]=4 14384 B13R0.54 CC(=O)NCCOCCCCCCCl 7a_100000766143_100000189650 [0,2,0,0,0,0|2,0,0]=4 14385 B13R0.54 CC(=O)NCCOCCCCCCF 34a_100000158858_100015922095 [0,2,0,0,0,0|2,0,0]=4 14386 B13R0.54 CC(=O)NCCOCCCCCCF 7a_100000732779_100000189650 [0,2,0,0,0,0|2,0,0]=4 14387 B13R0.54 CC(=O)NCCOCCCCCCO 34a_100000158858_100000766143 [0,2,0,0,0,0|2,0,0]=4 14388 B13R0.54 CC(=O)NCCSCCCCCC=O 62a_100000139337_100000189650 [0,2,0,0,0,0|1,0,1]=4 14389 B13R0.54 CC(=O)NCCSCCCCCC=O 62a_100000189650_100000139337 [0,2,0,0,0,0|1,0,1]=4 14390 B13R0.54 CC(=O)NCCSCCCCCCF 62a_100000189650_100015922095 [0,2,0,0,0,0|2,0,0]=4 14391 B13R0.54 CC(=O)NCCSCCCCCCF 62a_100015922095_100000189650 [0,2,0,0,0,0|2,0,0]=4 14392 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000189650_100000766143 [0,2,0,0,0,0|2,0,0]=4 14393 B13R0.54 CC(=O)NCCSCCCCCCO 62a_100000766143_100000189650 [0,2,0,0,0,0|2,0,0]=4 14394 B13R0.54 CC(=O)OCCCCCNCCCF 2230a_100015189416_100009813381 [0,2,0,0,0,0|2,0,0]=4 14395 B13R0.54 CC(=O)OCCCCCNCCCF 34a_100015189416_100000033007 [0,2,0,0,0,0|2,0,0]=4 14396 B13R0.54 CC(=O)OCCCCCOCCCBr 34a_100011217188_100000033007 [0,2,0,0,0,0|2,0,0]=4 14397 B13R0.54 CC(=O)OCCCCCOCCCCl 34a_100000230001_100000033007 [0,2,0,0,0,0|2,0,0]=4 14398 B13R0.54 CC(=O)OCCCCCOCCCF 34a_100000759539_100000033007 [0,2,0,0,0,0|2,0,0]=4 14399 B13R0.54 CC(=O)OCCCCCOCCCN 34a_100000182051_100000033007 [0,2,0,0,0,0|2,0,0]=4 14400 B13R0.54 CC(=O)OCCCCCSCCCF 62a_100000033007_100011934791 [0,2,0,0,0,0|2,0,0]=4 14401 B13R0.54 CC(=O)OCCCCCSCCCF 62a_100011934791_100000033007 [0,2,0,0,0,0|2,0,0]=4 14402 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100000033007_100011215043 [0,2,0,0,0,0|2,0,0]=4 14403 B13R0.54 CC(=O)OCCCCCSCCCO 62a_100011215043_100000033007 [0,2,0,0,0,0|2,0,0]=4 14404 B13R0.54 CC(=O)OCCCCNCCCCO 34a_100000750430_100000033659 [0,2,0,0,0,0|2,0,0]=4 14405 B13R0.54 CC(=O)OCCCCOCCCC=O 7a_100000073216_200011292268 [0,2,0,0,0,0|1,0,1]=4 14406 B13R0.54 CC(=O)OCCCCOCCCCBr 34a_100011216708_100000033659 [0,2,0,0,0,0|2,0,0]=4 14407 B13R0.54 CC(=O)OCCCCOCCCCCl 34a_100000210776_100000033659 [0,2,0,0,0,0|2,0,0]=4 14408 B13R0.54 CC(=O)OCCCCOCCCCCl 7a_100000210776_100000033659 [0,2,0,0,0,0|2,0,0]=4 14409 B13R0.54 CC(=O)OCCCCOCCCCF 34a_100000073216_100000729493 [0,2,0,0,0,0|2,0,0]=4 14410 B13R0.54 CC(=O)OCCCCOCCCCF 34a_100011995726_100000033659 [0,2,0,0,0,0|2,0,0]=4 14411 B13R0.54 CC(=O)OCCCCOCCCCF 7a_100000073216_100000729493 [0,2,0,0,0,0|2,0,0]=4 14412 B13R0.54 CC(=O)OCCCCOCCCCF 7a_100011995726_100000033659 [0,2,0,0,0,0|2,0,0]=4 14413 B13R0.54 CC(=O)OCCCCOCCCCI 34a_200012148704_100000033659 [0,2,0,0,0,0|2,0,0]=4 14414 B13R0.54 CC(=O)OCCCCOCCCCN 34a_100000750430_100000033659 [0,2,0,0,0,0|2,0,0]=4 14415 B13R0.54 CC(=O)OCCCCOCCCCO 34a_100000073216_100011216708 [0,2,0,0,0,0|2,0,0]=4 14416 B13R0.54 CC(=O)OCCCCOCCCCO 7a_100000073216_100000210776 [0,2,0,0,0,0|2,0,0]=4 14417 B13R0.54 CC(=O)OCCCCSCCCC=O 62a_100000033659_200011292268 [0,2,0,0,0,0|1,0,1]=4 14418 B13R0.54 CC(=O)OCCCCSCCCC=O 62a_200011292268_100000033659 [0,2,0,0,0,0|1,0,1]=4 14419 B13R0.54 CC(=O)OCCCCSCCCCF 62a_100000033659_100000729493 [0,2,0,0,0,0|2,0,0]=4 14420 B13R0.54 CC(=O)OCCCCSCCCCF 62a_100000729493_100000033659 [0,2,0,0,0,0|2,0,0]=4 14421 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000033659_100000210776 [0,2,0,0,0,0|2,0,0]=4 14422 B13R0.54 CC(=O)OCCCCSCCCCO 62a_100000210776_100000033659 [0,2,0,0,0,0|2,0,0]=4 14423 B13R0.54 CC(=O)OCCCNCCCCCO 34a_100000762737_100000042594 [0,2,0,0,0,0|2,0,0]=4 14424 B13R0.54 CC(=O)OCCCOCCCCCBr 34a_100000746331_100000042594 [0,2,0,0,0,0|2,0,0]=4 14425 B13R0.54 CC(=O)OCCCOCCCCCBr 7a_100000746331_100000042594 [0,2,0,0,0,0|2,0,0]=4 14426 B13R0.54 CC(=O)OCCCOCCCCCCl 34a_100000746330_100000042594 [0,2,0,0,0,0|2,0,0]=4 14427 B13R0.54 CC(=O)OCCCOCCCCCCl 7a_100000746330_100000042594 [0,2,0,0,0,0|2,0,0]=4 14428 B13R0.54 CC(=O)OCCCOCCCCCI 34a_200012148887_100000042594 [0,2,0,0,0,0|2,0,0]=4 14429 B13R0.54 CC(=O)OCCCOCCCCCI 7a_200012148887_100000042594 [0,2,0,0,0,0|2,0,0]=4 14430 B13R0.54 CC(=O)OCCCOCCCCCN 34a_100000762737_100000042594 [0,2,0,0,0,0|2,0,0]=4 14431 B13R0.54 CC(=O)OCCCSCCCCC=O 62a_100000042594_100000139335 [0,2,0,0,0,0|1,0,1]=4 14432 B13R0.54 CC(=O)OCCCSCCCCC=O 62a_100000139335_100000042594 [0,2,0,0,0,0|1,0,1]=4 14433 B13R0.54 CC(=O)OCCCSCCCCCF 62a_100000042594_100000729378 [0,2,0,0,0,0|2,0,0]=4 14434 B13R0.54 CC(=O)OCCCSCCCCCF 62a_100000729378_100000042594 [0,2,0,0,0,0|2,0,0]=4 14435 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000042594_100000746330 [0,2,0,0,0,0|2,0,0]=4 14436 B13R0.54 CC(=O)OCCCSCCCCCO 62a_100000746330_100000042594 [0,2,0,0,0,0|2,0,0]=4 14437 B13R0.54 CC(=O)OCCNCCCCCCO 34a_100000686447_100009814007 [0,2,0,0,0,0|2,0,0]=4 14438 B13R0.54 CC(=O)OCCOCCCCCCBr 34a_100011215345_100009814007 [0,2,0,0,0,0|2,0,0]=4 14439 B13R0.54 CC(=O)OCCOCCCCCCBr 7a_100011215345_100009814007 [0,2,0,0,0,0|2,0,0]=4 14440 B13R0.54 CC(=O)OCCOCCCCCCCl 34a_100000766143_100009814007 [0,2,0,0,0,0|2,0,0]=4 14441 B13R0.54 CC(=O)OCCOCCCCCCCl 7a_100000766143_100009814007 [0,2,0,0,0,0|2,0,0]=4 14442 B13R0.54 CC(=O)OCCOCCCCCCF 34a_100000732779_100009814007 [0,2,0,0,0,0|2,0,0]=4 14443 B13R0.54 CC(=O)OCCOCCCCCCF 7a_100000732779_100009814007 [0,2,0,0,0,0|2,0,0]=4 14444 B13R0.54 CC(=O)OCCOCCCCCCN 34a_100000686447_100009814007 [0,2,0,0,0,0|2,0,0]=4 14445 B13R0.54 CC(=O)OCCSCCCCCC=O 62a_100000139337_100009814007 [0,2,0,0,0,0|1,0,1]=4 14446 B13R0.54 CC(=O)OCCSCCCCCC=O 62a_100009814007_100000139337 [0,2,0,0,0,0|1,0,1]=4 14447 B13R0.54 CC(=O)OCCSCCCCCCF 62a_100009814007_100015922095 [0,2,0,0,0,0|2,0,0]=4 14448 B13R0.54 CC(=O)OCCSCCCCCCF 62a_100015922095_100009814007 [0,2,0,0,0,0|2,0,0]=4 14449 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100000766143_100009814007 [0,2,0,0,0,0|2,0,0]=4 14450 B13R0.54 CC(=O)OCCSCCCCCCO 62a_100009814007_100000766143 [0,2,0,0,0,0|2,0,0]=4 14451 B13R0.54 CC(=O)OCNCCCCCCCO 34a_100011996573_100009813279 [0,2,0,0,0,0|2,0,0]=4 14452 B13R0.54 CC(=O)OCOCCCCCCCBr 34a_100000760002_100009813279 [0,2,0,0,0,0|2,0,0]=4 14453 B13R0.54 CC(=O)OCOCCCCCCCN 34a_100011996573_100009813279 [0,2,0,0,0,0|2,0,0]=4 14454 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000076356_100000760002 [0,2,0,0,0,0|2,0,0]=4 14455 B13R0.54 CC(=O)OCSCCCCCCCO 62a_100000760002_100000076356 [0,2,0,0,0,0|2,0,0]=4 14456 B13R0.54 CC(=O)SCCCCNCCCCO 2230a_100000750430_200010402107 [0,2,0,0,0,0|2,0,0]=4 14457 B13R0.54 CC(=O)SCCCCNCCCCO 34a_100000750430_200010402107 [0,2,0,0,0,0|2,0,0]=4 14458 B13R0.54 CC(=O)SCCCCOCCCCBr 34a_100011216708_200010402107 [0,2,0,0,0,0|2,0,0]=4 14459 B13R0.54 CC(=O)SCCCCOCCCCCl 34a_100000210776_200010402107 [0,2,0,0,0,0|2,0,0]=4 14460 B13R0.54 CC(=O)SCCCCOCCCCCl 7a_100000210776_200010402107 [0,2,0,0,0,0|2,0,0]=4 14461 B13R0.54 CC(=O)SCCCCOCCCCF 34a_100011995726_200010402107 [0,2,0,0,0,0|2,0,0]=4 14462 B13R0.54 CC(=O)SCCCCOCCCCF 7a_100011995726_200010402107 [0,2,0,0,0,0|2,0,0]=4 14463 B13R0.54 CC(=O)SCCCCOCCCCI 34a_200012148704_200010402107 [0,2,0,0,0,0|2,0,0]=4 14464 B13R0.54 CC(=O)SCCCCOCCCCN 34a_100000750430_200010402107 [0,2,0,0,0,0|2,0,0]=4 14465 B13R0.54 CC(=O)SCCCCSCCCC=O 62a_200010402107_200011292268 [0,2,0,0,0,0|1,0,1]=4 14466 B13R0.54 CC(=O)SCCCCSCCCC=O 62a_200011292268_200010402107 [0,2,0,0,0,0|1,0,1]=4 14467 B13R0.54 CC(=O)SCCCCSCCCCF 62a_100000729493_200010402107 [0,2,0,0,0,0|2,0,0]=4 14468 B13R0.54 CC(=O)SCCCCSCCCCF 62a_200010402107_100000729493 [0,2,0,0,0,0|2,0,0]=4 14469 B13R0.54 CC(=O)SCCCCSCCCCO 62a_100000210776_200010402107 [0,2,0,0,0,0|2,0,0]=4 14470 B13R0.54 CC(=O)SCCCCSCCCCO 62a_200010402107_100000210776 [0,2,0,0,0,0|2,0,0]=4 14471 B13R0.54 CC(=O)SCCCNCCCCCO 2230a_100000762737_100000038929 [0,2,0,0,0,0|2,0,0]=4 14472 B13R0.54 CC(=O)SCCCNCCCCCO 34a_100000762737_100000038929 [0,2,0,0,0,0|2,0,0]=4 14473 B13R0.54 CC(=O)SCCCOCCCCCBr 34a_100000746331_100000038929 [0,2,0,0,0,0|2,0,0]=4 14474 B13R0.54 CC(=O)SCCCOCCCCCBr 7a_100000746331_100000038929 [0,2,0,0,0,0|2,0,0]=4 14475 B13R0.54 CC(=O)SCCCOCCCCCCl 34a_100000746330_100000038929 [0,2,0,0,0,0|2,0,0]=4 14476 B13R0.54 CC(=O)SCCCOCCCCCCl 7a_100000746330_100000038929 [0,2,0,0,0,0|2,0,0]=4 14477 B13R0.54 CC(=O)SCCCOCCCCCI 34a_200012148887_100000038929 [0,2,0,0,0,0|2,0,0]=4 14478 B13R0.54 CC(=O)SCCCOCCCCCI 7a_200012148887_100000038929 [0,2,0,0,0,0|2,0,0]=4 14479 B13R0.54 CC(=O)SCCCOCCCCCN 34a_100000762737_100000038929 [0,2,0,0,0,0|2,0,0]=4 14480 B13R0.54 CC(=O)SCCCSCCCCC=O 62a_100000038929_100000139335 [0,2,0,0,0,0|1,0,1]=4 14481 B13R0.54 CC(=O)SCCCSCCCCC=O 62a_100000139335_100000038929 [0,2,0,0,0,0|1,0,1]=4 14482 B13R0.54 CC(=O)SCCCSCCCCCF 62a_100000038929_100000729378 [0,2,0,0,0,0|2,0,0]=4 14483 B13R0.54 CC(=O)SCCCSCCCCCF 62a_100000729378_100000038929 [0,2,0,0,0,0|2,0,0]=4 14484 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000038929_100000746330 [0,2,0,0,0,0|2,0,0]=4 14485 B13R0.54 CC(=O)SCCCSCCCCCO 62a_100000746330_100000038929 [0,2,0,0,0,0|2,0,0]=4 14486 B13R0.54 CC(=S)OCCCSCCCCC=O 62a_100000139335_200135323944 [0,2,0,0,0,0|1,0,1]=4 14487 B13R0.54 CC(=S)OCCCSCCCCC=O 62a_200135323944_100000139335 [0,2,0,0,0,0|1,0,1]=4 14488 B13R0.54 CC(Br)CCOCCCCCCCO 34a_100009893172_100000760002 [0,2,0,0,0,0|0,0,2]=4 14489 B13R0.54 CC(Br)COCCCCCCCCO 34a_100012180447_100000033203 [0,2,0,0,0,0|0,0,2]=4 14490 B13R0.54 CC(C)CCCCCCCOCC#N 7a_200000210741_100011215382 [0,2,0,0,0,0|1,0,1]=4 14491 B13R0.54 CC(C)CCCCCCCOCC=O 34a_200000210741_200009817547 [0,2,0,0,0,0|0,0,0]=2 14492 B13R0.54 CC(C)CCCCCCCOCC=O 7a_200000210741_200015260668 [0,2,0,0,0,0|0,0,0]=2 14493 B13R0.54 CC(C)CCCCCCCOCCF 34a_200000210741_100011217306 [0,2,0,0,0,0|1,0,1]=4 14494 B13R0.54 CC(C)CCCCCCCOCCF 7a_200000210741_100011217306 [0,2,0,0,0,0|1,0,1]=4 14495 B13R0.54 CC(C)CCCCCCCOCCO 34a_200000210741_100000211926 [0,2,0,0,0,0|0,0,2]=4 14496 B13R0.54 CC(C)CCCCCCCOCCO 7a_200000210741_100000211926 [0,2,0,0,0,0|0,0,2]=4 14497 B13R0.54 CC(C)CCCCCCNCCC#N 2230a_100000211014_100011215226 [0,2,0,0,0,0|1,0,1]=4 14498 B13R0.54 CC(C)CCCCCCNCCCF 2230a_100000211014_100011934791 [0,2,0,0,0,0|1,0,1]=4 14499 B13R0.54 CC(C)CCCCCCNCCCF 34a_100000211014_100011934791 [0,2,0,0,0,0|1,0,1]=4 14500 B13R0.54 CC(C)CCCCCCNCCCO 2230a_100000211014_100000230001 [0,2,0,0,0,0|0,0,2]=4 14501 B13R0.54 CC(C)CCCCCCNCCCO 34a_100000211014_100000230001 [0,2,0,0,0,0|0,0,2]=4 14502 B13R0.54 CC(C)CCCCCNCCCC#N 2230a_100011290863_100000687738 [0,2,0,0,0,0|1,0,1]=4 14503 B13R0.54 CC(C)CCCCCNCCCC=O 2230a_100011290863_200011292268 [0,2,0,0,0,0|0,0,0]=2 14504 B13R0.54 CC(C)CCCCCNCCCCF 2230a_100011290863_100000729493 [0,2,0,0,0,0|1,0,1]=4 14505 B13R0.54 CC(C)CCCCCNCCCCF 34a_100011290863_100000729493 [0,2,0,0,0,0|1,0,1]=4 14506 B13R0.54 CC(C)CCCCCNCCCCO 2230a_100000750430_100000210682 [0,2,0,0,0,0|0,0,2]=4 14507 B13R0.54 CC(C)CCCCCNCCCCO 2230a_100011290863_100000210776 [0,2,0,0,0,0|0,0,2]=4 14508 B13R0.54 CC(C)CCCCCNCCCCO 34a_100000750430_100000210682 [0,2,0,0,0,0|0,0,2]=4 14509 B13R0.54 CC(C)CCCCCNCCCCO 34a_100011290863_100011216708 [0,2,0,0,0,0|0,0,2]=4 14510 B13R0.54 CC(C)CCCCCOCCCC#N 7a_100011995859_100000687738 [0,2,0,0,0,0|1,0,1]=4 14511 B13R0.54 CC(C)CCCCCOCCCC=O 7a_100011995859_200011292268 [0,2,0,0,0,0|0,0,0]=2 14512 B13R0.54 CC(C)CCCCCOCCCCBr 34a_100011216708_100000210682 [0,2,0,0,0,0|1,0,1]=4 14513 B13R0.54 CC(C)CCCCCOCCCCCl 34a_100000210776_100000210682 [0,2,0,0,0,0|1,0,1]=4 14514 B13R0.54 CC(C)CCCCCOCCCCCl 7a_100000210776_100000210682 [0,2,0,0,0,0|1,0,1]=4 14515 B13R0.54 CC(C)CCCCCOCCCCF 34a_100011995726_100000210682 [0,2,0,0,0,0|1,0,1]=4 14516 B13R0.54 CC(C)CCCCCOCCCCF 34a_100011995859_100000729493 [0,2,0,0,0,0|1,0,1]=4 14517 B13R0.54 CC(C)CCCCCOCCCCF 7a_100011995726_100000210682 [0,2,0,0,0,0|1,0,1]=4 14518 B13R0.54 CC(C)CCCCCOCCCCF 7a_100011995859_100000729493 [0,2,0,0,0,0|1,0,1]=4 14519 B13R0.54 CC(C)CCCCCOCCCCI 34a_200012148704_100000210682 [0,2,0,0,0,0|1,0,1]=4 14520 B13R0.54 CC(C)CCCCCOCCCCN 34a_100000750430_100000210682 [0,2,0,0,0,0|1,0,1]=4 14521 B13R0.54 CC(C)CCCCCOCCCCO 34a_100011995859_100011216708 [0,2,0,0,0,0|0,0,2]=4 14522 B13R0.54 CC(C)CCCCCOCCCCO 7a_100011995859_100000210776 [0,2,0,0,0,0|0,0,2]=4 14523 B13R0.54 CC(C)CCCCCSCCCC#N 62a_100000210682_100000687738 [0,2,0,0,0,0|1,0,1]=4 14524 B13R0.54 CC(C)CCCCCSCCCC#N 62a_100000687738_100000210682 [0,2,0,0,0,0|1,0,1]=4 14525 B13R0.54 CC(C)CCCCCSCCCC=O 62a_100000210682_200011292268 [0,2,0,0,0,0|0,0,0]=2 14526 B13R0.54 CC(C)CCCCCSCCCC=O 62a_200011292268_100000210682 [0,2,0,0,0,0|0,0,0]=2 14527 B13R0.54 CC(C)CCCCCSCCCCF 62a_100000210682_100000729493 [0,2,0,0,0,0|1,0,1]=4 14528 B13R0.54 CC(C)CCCCCSCCCCF 62a_100000729493_100000210682 [0,2,0,0,0,0|1,0,1]=4 14529 B13R0.54 CC(C)CCCCCSCCCCO 62a_100000210682_100000210776 [0,2,0,0,0,0|0,0,2]=4 14530 B13R0.54 CC(C)CCCCCSCCCCO 62a_100000210776_100000210682 [0,2,0,0,0,0|0,0,2]=4 14531 B13R0.54 CC(C)CCCCNCCCCCO 2230a_100000762737_100011216152 [0,2,0,0,0,0|0,0,2]=4 14532 B13R0.54 CC(C)CCCCNCCCCCO 34a_100000762737_100011216152 [0,2,0,0,0,0|0,0,2]=4 14533 B13R0.54 CC(C)CCCCOCCCCC#N 7a_100011214890_100000211819 [0,2,0,0,0,0|1,0,1]=4 14534 B13R0.54 CC(C)CCCCOCCCCC=O 7a_100011214890_100000139335 [0,2,0,0,0,0|0,0,0]=2 14535 B13R0.54 CC(C)CCCCOCCCCCBr 34a_100000746331_100011216152 [0,2,0,0,0,0|1,0,1]=4 14536 B13R0.54 CC(C)CCCCOCCCCCBr 7a_100000746331_100011216152 [0,2,0,0,0,0|1,0,1]=4 14537 B13R0.54 CC(C)CCCCOCCCCCCl 34a_100000746330_100011216152 [0,2,0,0,0,0|1,0,1]=4 14538 B13R0.54 CC(C)CCCCOCCCCCCl 7a_100000746330_100011216152 [0,2,0,0,0,0|1,0,1]=4 14539 B13R0.54 CC(C)CCCCOCCCCCF 34a_100011214890_100000729378 [0,2,0,0,0,0|1,0,1]=4 14540 B13R0.54 CC(C)CCCCOCCCCCF 7a_100011214890_100000729378 [0,2,0,0,0,0|1,0,1]=4 14541 B13R0.54 CC(C)CCCCOCCCCCI 34a_200012148887_100011216152 [0,2,0,0,0,0|1,0,1]=4 14542 B13R0.54 CC(C)CCCCOCCCCCI 7a_200012148887_100011216152 [0,2,0,0,0,0|1,0,1]=4 14543 B13R0.54 CC(C)CCCCOCCCCCN 34a_100000762737_100011216152 [0,2,0,0,0,0|1,0,1]=4 14544 B13R0.54 CC(C)CCCCOCCCCCO 34a_100011214890_100000746330 [0,2,0,0,0,0|0,0,2]=4 14545 B13R0.54 CC(C)CCCCOCCCCCO 7a_100011214890_100000746330 [0,2,0,0,0,0|0,0,2]=4 14546 B13R0.54 CC(C)CCCCSCCCCC#N 62a_100011216152_100000211819 [0,2,0,0,0,0|1,0,1]=4 14547 B13R0.54 CC(C)CCCCSCCCCC#N 62a_100011219923_100011216152 [0,2,0,0,0,0|1,0,1]=4 14548 B13R0.54 CC(C)CCCCSCCCCC=O 62a_100000139335_100011216152 [0,2,0,0,0,0|0,0,0]=2 14549 B13R0.54 CC(C)CCCCSCCCCC=O 62a_100011216152_100000139335 [0,2,0,0,0,0|0,0,0]=2 14550 B13R0.54 CC(C)CCCCSCCCCCF 62a_100000729378_100011216152 [0,2,0,0,0,0|1,0,1]=4 14551 B13R0.54 CC(C)CCCCSCCCCCF 62a_100011216152_100000729378 [0,2,0,0,0,0|1,0,1]=4 14552 B13R0.54 CC(C)CCCCSCCCCCO 62a_100000746330_100011216152 [0,2,0,0,0,0|0,0,2]=4 14553 B13R0.54 CC(C)CCCCSCCCCCO 62a_100011216152_100000746330 [0,2,0,0,0,0|0,0,2]=4 14554 B13R0.54 CC(C)CCCNCCCCCC#N 2230a_200000737386_100009813376 [0,2,0,0,0,0|1,0,1]=4 14555 B13R0.54 CC(C)CCCNCCCCCC=O 2230a_200000737386_100000139337 [0,2,0,0,0,0|0,0,0]=2 14556 B13R0.54 CC(C)CCCNCCCCCCF 2230a_200000737386_100015922095 [0,2,0,0,0,0|1,0,1]=4 14557 B13R0.54 CC(C)CCCNCCCCCCF 34a_200000737386_100015922095 [0,2,0,0,0,0|1,0,1]=4 14558 B13R0.54 CC(C)CCCNCCCCCCO 2230a_100000686447_100011214892 [0,2,0,0,0,0|0,0,2]=4 14559 B13R0.54 CC(C)CCCNCCCCCCO 2230a_200000737386_100000766143 [0,2,0,0,0,0|0,0,2]=4 14560 B13R0.54 CC(C)CCCNCCCCCCO 34a_100000686447_100011214892 [0,2,0,0,0,0|0,0,2]=4 14561 B13R0.54 CC(C)CCCNCCCCCCO 34a_200000737386_100000766143 [0,2,0,0,0,0|0,0,2]=4 14562 B13R0.54 CC(C)CCCOCCCCCC#N 7a_100000210774_100009813376 [0,2,0,0,0,0|1,0,1]=4 14563 B13R0.54 CC(C)CCCOCCCCCC=O 7a_100000210774_100000139337 [0,2,0,0,0,0|0,0,0]=2 14564 B13R0.54 CC(C)CCCOCCCCCCBr 34a_100011215345_100011214892 [0,2,0,0,0,0|1,0,1]=4 14565 B13R0.54 CC(C)CCCOCCCCCCBr 7a_100011215345_100011214892 [0,2,0,0,0,0|1,0,1]=4 14566 B13R0.54 CC(C)CCCOCCCCCCCl 34a_100000766143_100011214892 [0,2,0,0,0,0|1,0,1]=4 14567 B13R0.54 CC(C)CCCOCCCCCCCl 7a_100000766143_100011214892 [0,2,0,0,0,0|1,0,1]=4 14568 B13R0.54 CC(C)CCCOCCCCCCF 34a_100000210774_100015922095 [0,2,0,0,0,0|1,0,1]=4 14569 B13R0.54 CC(C)CCCOCCCCCCF 34a_100000732779_100011214892 [0,2,0,0,0,0|1,0,1]=4 14570 B13R0.54 CC(C)CCCOCCCCCCF 7a_100000210774_100015922095 [0,2,0,0,0,0|1,0,1]=4 14571 B13R0.54 CC(C)CCCOCCCCCCF 7a_100000732779_100011214892 [0,2,0,0,0,0|1,0,1]=4 14572 B13R0.54 CC(C)CCCOCCCCCCN 34a_100000686447_100011214892 [0,2,0,0,0,0|1,0,1]=4 14573 B13R0.54 CC(C)CCCOCCCCCCO 34a_100000210774_100000766143 [0,2,0,0,0,0|0,0,2]=4 14574 B13R0.54 CC(C)CCCOCCCCCCO 7a_100000210774_100000766143 [0,2,0,0,0,0|0,0,2]=4 14575 B13R0.54 CC(C)CCCSCCCCCC#N 62a_100009813376_100011214892 [0,2,0,0,0,0|1,0,1]=4 14576 B13R0.54 CC(C)CCCSCCCCCC#N 62a_100011214892_100009813376 [0,2,0,0,0,0|1,0,1]=4 14577 B13R0.54 CC(C)CCCSCCCCCC=O 62a_100000139337_100011214892 [0,2,0,0,0,0|0,0,0]=2 14578 B13R0.54 CC(C)CCCSCCCCCC=O 62a_100011214892_100000139337 [0,2,0,0,0,0|0,0,0]=2 14579 B13R0.54 CC(C)CCCSCCCCCCF 62a_100011214892_100015922095 [0,2,0,0,0,0|1,0,1]=4 14580 B13R0.54 CC(C)CCCSCCCCCCF 62a_100015922095_100011214892 [0,2,0,0,0,0|1,0,1]=4 14581 B13R0.54 CC(C)CCCSCCCCCCO 62a_100000766143_100011214892 [0,2,0,0,0,0|0,0,2]=4 14582 B13R0.54 CC(C)CCCSCCCCCCO 62a_100011214892_100000766143 [0,2,0,0,0,0|0,0,2]=4 14583 B13R0.54 CC(C)CCNCCCCCCCO 2230a_100011996573_100000210312 [0,2,0,0,0,0|0,0,2]=4 14584 B13R0.54 CC(C)CCNCCCCCCCO 269862a_100011996573_100000185833 [0,2,0,0,0,0|0,0,2]=4 14585 B13R0.54 CC(C)CCNCCCCCCCO 34a_100011996573_100000210312 [0,2,0,0,0,0|0,0,2]=4 14586 B13R0.54 CC(C)CCOCCCCCCC#N 7a_100000210254_100009813337 [0,2,0,0,0,0|1,0,1]=4 14587 B13R0.54 CC(C)CCOCCCCCCCBr 34a_100000760002_100000210312 [0,2,0,0,0,0|1,0,1]=4 14588 B13R0.54 CC(C)CCOCCCCCCCBr 7a_100000760002_100000210626 [0,2,0,0,0,0|1,0,1]=4 14589 B13R0.54 CC(C)CCOCCCCCCCN 34a_100011996573_100000210312 [0,2,0,0,0,0|1,0,1]=4 14590 B13R0.54 CC(C)CCOCCCCCCCO 34a_100000210254_100000760002 [0,2,0,0,0,0|0,0,2]=4 14591 B13R0.54 CC(C)CCOCCCCCCCO 7a_100000210254_100000760002 [0,2,0,0,0,0|0,0,2]=4 14592 B13R0.54 CC(C)CCSCCCCCCC#N 62a_100000210312_100009813337 [0,2,0,0,0,0|1,0,1]=4 14593 B13R0.54 CC(C)CCSCCCCCCC#N 62a_100009813337_100000210312 [0,2,0,0,0,0|1,0,1]=4 14594 B13R0.54 CC(C)CCSCCCCCCCO 62a_100000210312_100000760002 [0,2,0,0,0,0|0,0,2]=4 14595 B13R0.54 CC(C)CCSCCCCCCCO 62a_100000760002_100000210312 [0,2,0,0,0,0|0,0,2]=4 14596 B13R0.54 CC(C)CNCCCCCCCCO 2230a_100000210953_100000033203 [0,2,0,0,0,0|0,0,2]=4 14597 B13R0.54 CC(C)CNCCCCCCCCO 2230a_102515433106_100000210760 [0,2,0,0,0,0|0,0,2]=4 14598 B13R0.54 CC(C)CNCCCCCCCCO 270004a_102515433106_100000210432 [0,2,0,0,0,0|0,0,2]=4 14599 B13R0.54 CC(C)CNCCCCCCCCO 34a_100000210953_100000033203 [0,2,0,0,0,0|0,0,2]=4 14600 B13R0.54 CC(C)CNCCCCCCCCO 34a_102515433106_100000210624 [0,2,0,0,0,0|0,0,2]=4 14601 B13R0.54 CC(C)COCCCCCCCCBr 34a_100009813846_100000210624 [0,2,0,0,0,0|1,0,1]=4 14602 B13R0.54 CC(C)COCCCCCCCCBr 7a_100009813846_100000210760 [0,2,0,0,0,0|1,0,1]=4 14603 B13R0.54 CC(C)COCCCCCCCCCl 34a_100000033203_100000210624 [0,2,0,0,0,0|1,0,1]=4 14604 B13R0.54 CC(C)COCCCCCCCCCl 7a_100000033203_100000210760 [0,2,0,0,0,0|1,0,1]=4 14605 B13R0.54 CC(C)COCCCCCCCCN 34a_102515433106_100000210624 [0,2,0,0,0,0|1,0,1]=4 14606 B13R0.54 CC(C)COCCCCCCCCO 34a_100000210257_100000033203 [0,2,0,0,0,0|0,0,2]=4 14607 B13R0.54 CC(C)COCCCNCCCC=O 2230a_100000205972_200011292268 [0,2,0,0,0,0|1,0,0]=3 14608 B13R0.54 CC(C)COCCOCCCCC=O 7a_100000703358_100000139335 [0,2,0,0,0,0|1,0,0]=3 14609 B13R0.54 CC(C)CSCCCCCCCCO 62a_100000033203_100000210760 [0,2,0,0,0,0|0,0,2]=4 14610 B13R0.54 CC(C)CSCCCCCCCCO 62a_100000210624_100000033203 [0,2,0,0,0,0|0,0,2]=4 14611 B13R0.54 CC(C)CSCCOCCCCC=O 7a_200000230437_100000139335 [0,2,0,0,0,0|1,0,0]=3 14612 B13R0.54 CC(C)NCCCCCCCCCO 2230a_100000078944_100000210206 [0,2,0,0,0,0|0,0,2]=4 14613 B13R0.54 CC(C)NCCCCCCCCCO 2230a_100138425928_100009813782 [0,2,0,0,0,0|0,0,2]=4 14614 B13R0.54 CC(C)NCCCCCCCCCO 34a_100000078944_100000210206 [0,2,0,0,0,0|0,0,2]=4 14615 B13R0.54 CC(C)NCCCCCCCCCO 34a_100138425928_100009813782 [0,2,0,0,0,0|0,0,2]=4 14616 B13R0.54 CC(C)OCCCCCCCCCBr 34a_100009813782_100000210206 [0,2,0,0,0,0|1,0,1]=4 14617 B13R0.54 CC(C)OCCCCCCCCCBr 7a_100009813782_100000210206 [0,2,0,0,0,0|1,0,1]=4 14618 B13R0.54 CC(C)OCCCCCCCCCCl 34a_100009868337_100000210206 [0,2,0,0,0,0|1,0,1]=4 14619 B13R0.54 CC(C)OCCCCCCCCCCl 7a_100009868337_100000210206 [0,2,0,0,0,0|1,0,1]=4 14620 B13R0.54 CC(C)OCCCCCCCCCN 34a_100000078944_100000210206 [0,2,0,0,0,0|1,0,1]=4 14621 B13R0.54 CC(C)OCCCCCCCCCO 34a_100000212225_100009813782 [0,2,0,0,0,0|0,0,2]=4 14622 B13R0.54 CC(C)OCCCNCCCCC=O 2230a_100000737246_100000139335 [0,2,0,0,0,0|1,0,0]=3 14623 B13R0.54 CC(C)OCCNCCCCCC=O 2230a_100000701111_100000139337 [0,2,0,0,0,0|1,0,0]=3 14624 B13R0.54 CC(C)OCCOCCCCCC=O 7a_100000211219_100000139337 [0,2,0,0,0,0|1,0,0]=3 14625 B13R0.54 CC(C)OCCSCCCCCC=O 62a_100000139337_100000211751 [0,2,0,0,0,0|1,0,0]=3 14626 B13R0.54 CC(C)OCCSCCCCCC=O 62a_100000211751_100000139337 [0,2,0,0,0,0|1,0,0]=3 14627 B13R0.54 CC(C)SCCCCCCCCCO 62a_100000210206_100009813782 [0,2,0,0,0,0|0,0,2]=4 14628 B13R0.54 CC(C)SCCCCCCCCCO 62a_100009813782_100000210206 [0,2,0,0,0,0|0,0,2]=4 14629 B13R0.54 CC(C)SCCNCCCCCC=O 2230a_100000731138_100000139337 [0,2,0,0,0,0|1,0,0]=3 14630 B13R0.54 CC(C)SCCOCCCCCC=O 7a_200011212901_100000139337 [0,2,0,0,0,0|1,0,0]=3 14631 B13R0.54 CC(C)SCCSCCCCCC=O 62a_100000139337_100000730970 [0,2,0,0,0,0|1,0,0]=3 14632 B13R0.54 CC(C)SCCSCCCCCC=O 62a_100000730970_100000139337 [0,2,0,0,0,0|1,0,0]=3 14633 B13R0.54 CC(F)COCCCCCCCCO 34a_100015925927_100000033203 [0,2,0,0,0,0|0,0,2]=4 14634 B13R0.54 CC(O)CCCNCCCCCCO 2230a_100000686447_200000718107 [0,2,0,0,0,0|0,0,2]=4 14635 B13R0.54 CC(O)CCCNCCCCCCO 34a_100000686447_200000718107 [0,2,0,0,0,0|0,0,2]=4 14636 B13R0.54 CC(O)CCCOCCCCCCBr 34a_100011215345_200000718107 [0,2,0,0,0,0|1,0,1]=4 14637 B13R0.54 CC(O)CCCOCCCCCCBr 7a_100011215345_200000718107 [0,2,0,0,0,0|1,0,1]=4 14638 B13R0.54 CC(O)CCCOCCCCCCCl 34a_100000766143_200000718107 [0,2,0,0,0,0|1,0,1]=4 14639 B13R0.54 CC(O)CCCOCCCCCCCl 7a_100000766143_200000718107 [0,2,0,0,0,0|1,0,1]=4 14640 B13R0.54 CC(O)CCCOCCCCCCF 34a_100000732779_200000718107 [0,2,0,0,0,0|1,0,1]=4 14641 B13R0.54 CC(O)CCCOCCCCCCF 7a_100000732779_200000718107 [0,2,0,0,0,0|1,0,1]=4 14642 B13R0.54 CC(O)CCCOCCCCCCN 34a_100000686447_200000718107 [0,2,0,0,0,0|1,0,1]=4 14643 B13R0.54 CC(O)CCCSCCCCCC#N 62a_100009813376_200000718107 [0,2,0,0,0,0|1,0,1]=4 14644 B13R0.54 CC(O)CCCSCCCCCC#N 62a_200000718107_100009813376 [0,2,0,0,0,0|1,0,1]=4 14645 B13R0.54 CC(O)CCCSCCCCCC=O 62a_100000139337_200000718107 [0,2,0,0,0,0|0,0,0]=2 14646 B13R0.54 CC(O)CCCSCCCCCC=O 62a_200000718107_100000139337 [0,2,0,0,0,0|0,0,0]=2 14647 B13R0.54 CC(O)CCCSCCCCCCF 62a_100015922095_200000718107 [0,2,0,0,0,0|1,0,1]=4 14648 B13R0.54 CC(O)CCCSCCCCCCF 62a_200000718107_100015922095 [0,2,0,0,0,0|1,0,1]=4 14649 B13R0.54 CC(O)CCCSCCCCCCO 62a_100000766143_200000718107 [0,2,0,0,0,0|0,0,2]=4 14650 B13R0.54 CC(O)CCCSCCCCCCO 62a_200000718107_100000766143 [0,2,0,0,0,0|0,0,2]=4 14651 B13R0.54 CC(O)CCNCCCCCCC#N 2230a_200000755665_100009813337 [0,2,0,0,0,0|1,0,1]=4 14652 B13R0.54 CC(O)CCNCCCCCCCO 2230a_100011996573_100012276601 [0,2,0,0,0,0|0,0,2]=4 14653 B13R0.54 CC(O)CCNCCCCCCCO 2230a_200000755665_100000760002 [0,2,0,0,0,0|0,0,2]=4 14654 B13R0.54 CC(O)CCNCCCCCCCO 34a_100011996573_100012276601 [0,2,0,0,0,0|0,0,2]=4 14655 B13R0.54 CC(O)CCOCCCCCCCBr 34a_100000760002_100012276601 [0,2,0,0,0,0|1,0,1]=4 14656 B13R0.54 CC(O)CCOCCCCCCCBr 7a_100000760002_100012276601 [0,2,0,0,0,0|1,0,1]=4 14657 B13R0.54 CC(O)CCOCCCCCCCN 34a_100011996573_100012276601 [0,2,0,0,0,0|1,0,1]=4 14658 B13R0.54 CC(O)CCSCCCCCCC#N 62a_100009813337_100012276601 [0,2,0,0,0,0|1,0,1]=4 14659 B13R0.54 CC(O)CCSCCCCCCC#N 62a_100012276601_100009813337 [0,2,0,0,0,0|1,0,1]=4 14660 B13R0.54 CC(O)CCSCCCCCCCO 62a_100000760002_100012276601 [0,2,0,0,0,0|0,0,2]=4 14661 B13R0.54 CC(O)CCSCCCCCCCO 62a_100012276601_100000760002 [0,2,0,0,0,0|0,0,2]=4 14662 B13R0.54 CC(O)CNCCCCCCCCO 2230a_100000210904_100000033203 [0,2,0,0,0,0|0,0,2]=4 14663 B13R0.54 CC(O)CNCCCCCCCCO 2230a_102515433106_100011218427 [0,2,0,0,0,0|0,0,2]=4 14664 B13R0.54 CC(O)CNCCCCCCCCO 34a_100000210904_100000033203 [0,2,0,0,0,0|0,0,2]=4 14665 B13R0.54 CC(O)CNCCCCCCCCO 34a_102515433106_100011218427 [0,2,0,0,0,0|0,0,2]=4 14666 B13R0.54 CC(O)COCCCCCCCCBr 34a_100009813846_100011218427 [0,2,0,0,0,0|1,0,1]=4 14667 B13R0.54 CC(O)COCCCCCCCCBr 7a_100009813846_100011218427 [0,2,0,0,0,0|1,0,1]=4 14668 B13R0.54 CC(O)COCCCCCCCCCl 34a_100000033203_100011218427 [0,2,0,0,0,0|1,0,1]=4 14669 B13R0.54 CC(O)COCCCCCCCCCl 7a_100000033203_100011218427 [0,2,0,0,0,0|1,0,1]=4 14670 B13R0.54 CC(O)COCCCCCCCCN 34a_102515433106_100011218427 [0,2,0,0,0,0|1,0,1]=4 14671 B13R0.54 CC(O)CSCCCCCCCCO 62a_100000033203_100011218427 [0,2,0,0,0,0|0,0,2]=4 14672 B13R0.54 CC(O)CSCCCCCCCCO 62a_100011218427_100000033203 [0,2,0,0,0,0|0,0,2]=4 14673 B13R0.54 CC/C=C/CCCOCCCC(=O)C 34a_100016287902_100000685027 [0,2,0,0,0,0|0,0,2]=4 14674 B13R0.54 CC/C=C/CCCOCCCC(=O)C 7a_100016287902_100011215641 [0,2,0,0,0,0|0,0,2]=4 14675 B13R0.54 CC/C=C/CCCOCCCC(=O)N 34a_100016287902_100102525003 [0,2,0,0,0,0|0,0,2]=4 14676 B13R0.54 CC/C=C/CCCOCCCC(=O)N 7a_100016287902_100102525003 [0,2,0,0,0,0|0,0,2]=4 14677 B13R0.54 CC/C=C\CCCCCOCC(=O)N 34a_100016268722_100000187820 [0,2,0,0,0,0|0,0,2]=4 14678 B13R0.54 CC/C=C\CCCCCOCC(=O)N 7a_100016268722_100000187820 [0,2,0,0,0,0|0,0,2]=4 14679 B13R0.54 CC/C=C\CCCCCOCC(=O)[O-] 34a_100016268722_100020667443 [0,2,0,0,0,0|0,0,2]=4 14680 B13R0.54 CC/C=C\CCCCOCCC(=O)C 7a_100016287862_100000053229 [0,2,0,0,0,0|0,0,2]=4 14681 B13R0.54 CC/C=C\CCCCOCCC(=O)N 34a_100016287862_100000731001 [0,2,0,0,0,0|0,0,2]=4 14682 B13R0.54 CC/C=C\CCCCOCCC(=O)N 7a_100016287862_100000744528 [0,2,0,0,0,0|0,0,2]=4 14683 B13R0.54 CC/C=C\CCNCCCCC(=O)N 34a_100000696515_100015370543 [0,2,0,0,0,0|0,0,2]=4 14684 B13R0.54 CC/C=C\CCOCCCCC(=O)C 34a_100016288707_100009817362 [0,2,0,0,0,0|0,0,2]=4 14685 B13R0.54 CC/C=C\CCOCCCCC(=O)C 7a_100016288707_100000735457 [0,2,0,0,0,0|0,0,2]=4 14686 B13R0.54 CC/C=C\CCOCCCCC(=O)N 34a_100012022536_100015370543 [0,2,0,0,0,0|0,0,2]=4 14687 B13R0.54 CC/C=C\CCOCCCCC(=O)N 7a_100012022536_100015370543 [0,2,0,0,0,0|0,0,2]=4 14688 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100000735457_100015370543 [0,2,0,0,0,0|0,0,2]=4 14689 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100015370543_100000735457 [0,2,0,0,0,0|0,0,2]=4 14690 B13R0.54 CC/C=C\COCCCCCC(=O)N 34a_100000123541_100103147603 [0,2,0,0,0,0|0,0,2]=4 14691 B13R0.54 CC/C=C\COCCCCCC(=O)N 34a_100016268518_100009817443 [0,2,0,0,0,0|0,0,2]=4 14692 B13R0.54 CC/C=C\COCCCCCC(=O)N 7a_100000123541_100103147603 [0,2,0,0,0,0|0,0,2]=4 14693 B13R0.54 CC/C=C\COCCCCCC(=O)[O-] 7a_100102619762_100103147603 [0,2,0,0,0,0|0,0,2]=4 14694 B13R0.54 CC/C=C\CSCCCCCC(=O)N 62a_100009817443_100103147603 [0,2,0,0,0,0|0,0,2]=4 14695 B13R0.54 CC/C=C\CSCCCCCC(=O)N 62a_100103147603_100009817443 [0,2,0,0,0,0|0,0,2]=4 14696 B13R0.54 CC=CCCCOCCCCC(=O)C 34a_100020645299_100009817362 [0,2,0,0,0,0|0,0,2]=4 14697 B13R0.54 CC=CCCCOCCCCC(C)C 34a_100020645299_100011216152 [0,2,0,0,0,0|1,0,1]=4 14698 B13R0.54 CC=CCNCCCCCCC(C)C 2230a_100000211014_100000070051 [0,2,0,0,0,0|1,0,1]=4 14699 B13R0.54 CC=CCNCCCCCCC(C)C 34a_100000211014_100000070051 [0,2,0,0,0,0|1,0,1]=4 14700 B13R0.54 CCC#CCCOCCCCC(=O)C 34a_100000036655_100009817362 [0,2,0,0,0,0|0,0,2]=4 14701 B13R0.54 CCC#CCCOCCCCC(=O)C 7a_100000036655_100000735457 [0,2,0,0,0,0|0,0,2]=4 14702 B13R0.54 CCC#CCOCCCCCC(=O)N 34a_100000032950_100009817443 [0,2,0,0,0,0|0,0,2]=4 14703 B13R0.54 CCC#CCOCCCCCC(=O)N 34a_100000123541_100009813939 [0,2,0,0,0,0|0,0,2]=4 14704 B13R0.54 CCC#CCOCCCCCC(=O)N 7a_100000123541_100009813939 [0,2,0,0,0,0|0,0,2]=4 14705 B13R0.54 CCC#CCOCCCCCC(=O)[O-] 7a_100102619762_100009813939 [0,2,0,0,0,0|0,0,2]=4 14706 B13R0.54 CCC#CCSCCCCCC(=O)N 62a_100009813939_100009817443 [0,2,0,0,0,0|0,0,2]=4 14707 B13R0.54 CCC#CCSCCCCCC(=O)N 62a_100009817443_100009813939 [0,2,0,0,0,0|0,0,2]=4 14708 B13R0.54 CCC/C=C/COCCCCC(=O)C 34a_100016278788_100009817362 [0,2,0,0,0,0|0,0,2]=4 14709 B13R0.54 CCC/C=C/COCCCCC(=O)C 7a_100016278788_100000735457 [0,2,0,0,0,0|0,0,2]=4 14710 B13R0.54 CCCC#CCCOCCCC(=O)C 34a_100000042726_100000685027 [0,2,0,0,0,0|0,0,2]=4 14711 B13R0.54 CCCC#CCCOCCCC(=O)C 7a_100000042726_100011215641 [0,2,0,0,0,0|0,0,2]=4 14712 B13R0.54 CCCC#CCCOCCCC(=O)N 34a_100000042726_100102525003 [0,2,0,0,0,0|0,0,2]=4 14713 B13R0.54 CCCC#CCCOCCCC(=O)N 7a_100000042726_100102525003 [0,2,0,0,0,0|0,0,2]=4 14714 B13R0.54 CCCC#CCOCCCCC(=O)C 34a_100000034806_100009817362 [0,2,0,0,0,0|0,0,2]=4 14715 B13R0.54 CCCC#CCOCCCCC(=O)C 7a_100000034806_100000735457 [0,2,0,0,0,0|0,0,2]=4 14716 B13R0.54 CCCC/C=C/COCCCC(=O)C 34a_200016272032_100000685027 [0,2,0,0,0,0|0,0,2]=4 14717 B13R0.54 CCCC/C=C/COCCCC(=O)C 7a_200016272032_100011215641 [0,2,0,0,0,0|0,0,2]=4 14718 B13R0.54 CCCC/C=C/COCCCC(=O)N 34a_200016272032_100102525003 [0,2,0,0,0,0|0,0,2]=4 14719 B13R0.54 CCCC/C=C/COCCCC(=O)N 7a_200016272032_100102525003 [0,2,0,0,0,0|0,0,2]=4 14720 B13R0.54 CCCC/C=C\CCOCCC(=O)C 7a_200016286491_100000053229 [0,2,0,0,0,0|0,0,2]=4 14721 B13R0.54 CCCC/C=C\CCOCCC(=O)N 34a_200016286491_100000731001 [0,2,0,0,0,0|0,0,2]=4 14722 B13R0.54 CCCC/C=C\CCOCCC(=O)N 7a_200016286491_100000744528 [0,2,0,0,0,0|0,0,2]=4 14723 B13R0.54 CCCCC#CCCCNCC(=O)N 2230a_100000711301_200000047210 [0,2,0,0,0,0|0,0,2]=4 14724 B13R0.54 CCCCC#CCCCNCC(=O)O 269956a_100016091260_200000047210 [0,2,0,0,0,0|0,0,2]=4 14725 B13R0.54 CCCCC#CCCCOCC(=O)C 34a_100000211253_200000047210 [0,2,0,0,0,0|0,0,2]=4 14726 B13R0.54 CCCCC#CCCCSCC(=O)N 62a_100000747473_200000047210 [0,2,0,0,0,0|0,0,2]=4 14727 B13R0.54 CCCCC#CCCCSCC(=O)N 62a_200000047210_100000747473 [0,2,0,0,0,0|0,0,2]=4 14728 B13R0.54 CCCCC#CCCCSCC(=O)[O-] 62a_100020667443_200000047210 [0,2,0,0,0,0|0,0,2]=4 14729 B13R0.54 CCCCC#CCCCSCC(=O)[O-] 62a_200000047210_100020667443 [0,2,0,0,0,0|0,0,2]=4 14730 B13R0.54 CCCCC#CCCOCCC(=O)C 7a_100000037610_100000053229 [0,2,0,0,0,0|0,0,2]=4 14731 B13R0.54 CCCCC#CCCOCCC(=O)N 34a_100000037610_100000731001 [0,2,0,0,0,0|0,0,2]=4 14732 B13R0.54 CCCCC#CCCOCCC(=O)N 7a_100000037610_100000744528 [0,2,0,0,0,0|0,0,2]=4 14733 B13R0.54 CCCCC#CCOCCCC(=O)C 34a_200000034558_100000685027 [0,2,0,0,0,0|0,0,2]=4 14734 B13R0.54 CCCCC#CCOCCCC(=O)C 7a_200000034558_100011215641 [0,2,0,0,0,0|0,0,2]=4 14735 B13R0.54 CCCCC#CCOCCCC(=O)N 34a_200000034558_100102525003 [0,2,0,0,0,0|0,0,2]=4 14736 B13R0.54 CCCCC#CCOCCCC(=O)N 7a_200000034558_100102525003 [0,2,0,0,0,0|0,0,2]=4 14737 B13R0.54 CCCCC/C=C/COCCC(=O)C 7a_100016258190_100000053229 [0,2,0,0,0,0|0,0,2]=4 14738 B13R0.54 CCCCC/C=C/COCCC(=O)N 34a_100016258190_100000731001 [0,2,0,0,0,0|0,0,2]=4 14739 B13R0.54 CCCCC/C=C/COCCC(=O)N 7a_100016258190_100000744528 [0,2,0,0,0,0|0,0,2]=4 14740 B13R0.54 CCCCC/C=C\CCOCC(=O)N 34a_100016277358_100000187820 [0,2,0,0,0,0|0,0,2]=4 14741 B13R0.54 CCCCC/C=C\CCOCC(=O)N 7a_100016277358_100000187820 [0,2,0,0,0,0|0,0,2]=4 14742 B13R0.54 CCCCC/C=C\CCOCC(=O)[O-] 34a_100016277358_100020667443 [0,2,0,0,0,0|0,0,2]=4 14743 B13R0.54 CCCCCC#CCCOCC(=O)N 34a_200000042877_100000187820 [0,2,0,0,0,0|0,0,2]=4 14744 B13R0.54 CCCCCC#CCCOCC(=O)N 7a_200000042877_100000187820 [0,2,0,0,0,0|0,0,2]=4 14745 B13R0.54 CCCCCC#CCCOCC(=O)[O-] 34a_200000042877_100020667443 [0,2,0,0,0,0|0,0,2]=4 14746 B13R0.54 CCCCCC#CCOCCC(=O)C 34a_100000759926_100009816472 [0,2,0,0,0,0|0,0,2]=4 14747 B13R0.54 CCCCCC#CCOCCC(=O)C 7a_100000759926_100009816472 [0,2,0,0,0,0|0,0,2]=4 14748 B13R0.54 CCCCCC#CCOCCC(=O)C 7a_200000033628_100000053229 [0,2,0,0,0,0|0,0,2]=4 14749 B13R0.54 CCCCCC#CCOCCC(=O)N 34a_100000757172_100009816472 [0,2,0,0,0,0|0,0,2]=4 14750 B13R0.54 CCCCCC#CCOCCC(=O)N 34a_200000033628_100000731001 [0,2,0,0,0,0|0,0,2]=4 14751 B13R0.54 CCCCCC#CCOCCC(=O)N 7a_100000757172_100009816472 [0,2,0,0,0,0|0,0,2]=4 14752 B13R0.54 CCCCCC#CCOCCC(=O)N 7a_200000033628_100000744528 [0,2,0,0,0,0|0,0,2]=4 14753 B13R0.54 CCCCCC#CCSCCC(=O)C 62a_100000053229_100009816472 [0,2,0,0,0,0|0,0,2]=4 14754 B13R0.54 CCCCCC#CCSCCC(=O)C 62a_100009816472_100000053229 [0,2,0,0,0,0|0,0,2]=4 14755 B13R0.54 CCCCCC#CCSCCC(=O)N 62a_100000744528_100009816472 [0,2,0,0,0,0|0,0,2]=4 14756 B13R0.54 CCCCCC#CCSCCC(=O)N 62a_100009816472_100000744528 [0,2,0,0,0,0|0,0,2]=4 14757 B13R0.54 CCCCCC/C=C/COCC(=O)N 34a_200016276170_100000187820 [0,2,0,0,0,0|0,0,2]=4 14758 B13R0.54 CCCCCC/C=C/COCC(=O)N 7a_200016276170_100000187820 [0,2,0,0,0,0|0,0,2]=4 14759 B13R0.54 CCCCCC/C=C/COCC(=O)[O-] 34a_200016276170_100020667443 [0,2,0,0,0,0|0,0,2]=4 14760 B13R0.54 CCCCCCC#CCOCC(=O)N 34a_200000037284_100000187820 [0,2,0,0,0,0|0,0,2]=4 14761 B13R0.54 CCCCCCC#CCOCC(=O)N 7a_200000037284_100000187820 [0,2,0,0,0,0|0,0,2]=4 14762 B13R0.54 CCCCCCC#CCOCC(=O)[O-] 34a_200000037284_100020667443 [0,2,0,0,0,0|0,0,2]=4 14763 B13R0.54 CCCCCCCCC=NNC(=O)C 4a_100000189765_100011218696 [0,2,0,0,0,0|1,0,1]=4 14764 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [0,2,0,0,0,0|0,0,1]=3 14765 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [0,2,0,0,0,0|0,0,1]=3 14766 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000070787_100011215454 [0,2,0,0,0,0|0,0,0]=2 14767 B13R0.54 CCCCCCCCCCCC(=O)C 1458a_100000210736_200000210301 [0,2,0,0,0,0|0,0,0]=2 14768 B13R0.54 CCCCCCCCCCCC(=O)[13CH3] 1458a_100000210736_200025704644 [0,2,0,0,0,0|0,0,0]=2 14769 B13R0.54 CCCCCCCCCCCN(C)C 2230a_100102631434_100011215454 [0,2,0,0,0,0|1,0,1]=4 14770 B13R0.54 CCCCCCCCCCCN(C)C 269982a_100102631434_100011215454 [0,2,0,0,0,0|1,0,1]=4 14771 B13R0.54 CCCCCCCCCCNC(=O)C 11a_100000684558_100015343762 [0,2,0,0,0,0|0,0,0]=2 14772 B13R0.54 CCCCCCCCCCNC(=O)C 1626a_100000684558_100015343762 [0,2,0,0,0,0|0,0,0]=2 14773 B13R0.54 CCCCCCCCCCNC(=O)C 240690a_100000684558_100015343762 [0,2,0,0,0,0|0,0,0]=2 14774 B13R0.54 CCCCCCCCCCNC(=O)C 527a_100000684558_100103153847 [0,2,0,0,0,0|0,0,0]=2 14775 B13R0.54 CCCCCCCCCCNC(C)C 2230a_100000684558_100000210206 [0,2,0,0,0,0|1,0,1]=4 14776 B13R0.54 CCCCCCCCCCNC(C)C 2230a_100138425928_100000210320 [0,2,0,0,0,0|1,0,1]=4 14777 B13R0.54 CCCCCCCCCCNC(C)C 34a_100000684558_100000210206 [0,2,0,0,0,0|1,0,1]=4 14778 B13R0.54 CCCCCCCCCCNC(C)C 34a_100138425928_100000210320 [0,2,0,0,0,0|1,0,1]=4 14779 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000210711_100000210206 [0,2,0,0,0,0|1,0,1]=4 14780 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000212225_100000210320 [0,2,0,0,0,0|1,0,1]=4 14781 B13R0.54 CCCCCCCCCCOC(C)C 7a_100000210711_100000210206 [0,2,0,0,0,0|1,0,1]=4 14782 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000212291_100000747473 [0,2,0,0,0,0|0,0,0]=2 14783 B13R0.54 CCCCCCCCCNCC(=O)N 2230a_100000711301_100011214924 [0,2,0,0,0,0|0,0,0]=2 14784 B13R0.54 CCCCCCCCCNCC(=O)N 34a_100000212291_100000187820 [0,2,0,0,0,0|0,0,0]=2 14785 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [0,2,0,0,0,0|0,0,0]=2 14786 B13R0.54 CCCCCCCCCNCC(=O)[O-] 34a_100000212291_100020667443 [0,2,0,0,0,0|0,0,0]=2 14787 B13R0.54 CCCCCCCCCNCC(C)C 2230a_100000210953_100011214924 [0,2,0,0,0,0|1,0,1]=4 14788 B13R0.54 CCCCCCCCCNCC(C)C 2230a_100000212291_100000210760 [0,2,0,0,0,0|1,0,1]=4 14789 B13R0.54 CCCCCCCCCNCC(C)C 270004a_100000212291_100000210432 [0,2,0,0,0,0|1,0,1]=4 14790 B13R0.54 CCCCCCCCCNCC(C)C 34a_100000210953_100011214924 [0,2,0,0,0,0|1,0,1]=4 14791 B13R0.54 CCCCCCCCCNCC(C)C 34a_100000212291_100000210624 [0,2,0,0,0,0|1,0,1]=4 14792 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000210904_100011214924 [0,2,0,0,0,0|0,0,2]=4 14793 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000212291_100011218427 [0,2,0,0,0,0|0,0,2]=4 14794 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000210904_100011214924 [0,2,0,0,0,0|0,0,2]=4 14795 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000212291_100011218427 [0,2,0,0,0,0|0,0,2]=4 14796 B13R0.54 CCCCCCCCCNCC(F)F 2230a_100000212291_100011934356 [0,2,0,0,0,0|1,0,1]=4 14797 B13R0.54 CCCCCCCCCNCC(F)F 34a_100000212291_100011934356 [0,2,0,0,0,0|1,0,1]=4 14798 B13R0.54 CCCCCCCCCNCC(F)F 34a_100000765723_100011214924 [0,2,0,0,0,0|1,0,1]=4 14799 B13R0.54 CCCCCCCCCNC[C@@H](C)O 2230a_100000212291_100009817552 [0,2,0,0,0,0|0,0,2]=4 14800 B13R0.54 CCCCCCCCCNC[C@@H](C)O 34a_100000212291_100009817552 [0,2,0,0,0,0|0,0,2]=4 14801 B13R0.54 CCCCCCCCCNC[N+](=O)[O-] 34a_100000212291_100000761209 [0,2,0,0,0,0|1,0,0]=3 14802 B13R0.54 CCCCCCCCCOCC(=O)C 34a_100000211253_100011214924 [0,2,0,0,0,0|0,0,0]=2 14803 B13R0.54 CCCCCCCCCOCC(=O)N 34a_100000210712_100000187820 [0,2,0,0,0,0|0,0,0]=2 14804 B13R0.54 CCCCCCCCCOCC(=O)N 7a_100000210712_100000187820 [0,2,0,0,0,0|0,0,0]=2 14805 B13R0.54 CCCCCCCCCOCC(=O)[O-] 34a_100000210712_100020667443 [0,2,0,0,0,0|0,0,0]=2 14806 B13R0.54 CCCCCCCCCOCC(C)Br 34a_100012180447_100011214924 [0,2,0,0,0,0|1,0,1]=4 14807 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210257_100011214924 [0,2,0,0,0,0|1,0,1]=4 14808 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210712_100000210624 [0,2,0,0,0,0|1,0,1]=4 14809 B13R0.54 CCCCCCCCCOCC(C)C 7a_100000210712_100000210760 [0,2,0,0,0,0|1,0,1]=4 14810 B13R0.54 CCCCCCCCCOCC(C)F 34a_100015925927_100011214924 [0,2,0,0,0,0|1,0,1]=4 14811 B13R0.54 CCCCCCCCCOCC(C)O 34a_100000210712_100011218427 [0,2,0,0,0,0|0,0,2]=4 14812 B13R0.54 CCCCCCCCCOCC(C)O 7a_100000210712_100011218427 [0,2,0,0,0,0|0,0,2]=4 14813 B13R0.54 CCCCCCCCCOCC(F)F 34a_100000210712_100011934356 [0,2,0,0,0,0|1,0,1]=4 14814 B13R0.54 CCCCCCCCCOCC(F)F 34a_100000743014_100011214924 [0,2,0,0,0,0|1,0,1]=4 14815 B13R0.54 CCCCCCCCCOCC(F)F 7a_100000210712_100011934356 [0,2,0,0,0,0|1,0,1]=4 14816 B13R0.54 CCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011214924 [0,2,0,0,0,0|1,0,1]=4 14817 B13R0.54 CCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011214924 [0,2,0,0,0,0|1,0,1]=4 14818 B13R0.54 CCCCCCCCCOC[C@@H](C)O 34a_100000210712_100009817552 [0,2,0,0,0,0|0,0,2]=4 14819 B13R0.54 CCCCCCCCCOC[C@@H](C)O 7a_100000210712_100009817552 [0,2,0,0,0,0|0,0,2]=4 14820 B13R0.54 CCCCCCCCCOC[N+](=O)[O-] 34a_100000210712_100000761209 [0,2,0,0,0,0|1,0,0]=3 14821 B13R0.54 CCCCCCCCCSCC(=O)N 62a_100000747473_100000210670 [0,2,0,0,0,0|0,0,0]=2 14822 B13R0.54 CCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210670 [0,2,0,0,0,0|0,0,0]=2 14823 B13R0.54 CCCCCCCCCSCC(C)O 62a_100011218427_100000210670 [0,2,0,0,0,0|0,0,2]=4 14824 B13R0.54 CCCCCCCCCSCC(F)F 62a_100011934356_100000210670 [0,2,0,0,0,0|1,0,1]=4 14825 B13R0.54 CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210670 [0,2,0,0,0,0|0,0,2]=4 14826 B13R0.54 CCCCCCCCNCC=C(C)C 2230a_100000229939_100000761012 [0,2,0,0,0,0|1,0,1]=4 14827 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000229939_100000761012 [0,2,0,0,0,0|1,0,1]=4 14828 B13R0.54 CCCCCCCCNCC=C(C)C 34a_100000718196_100000210759 [0,2,0,0,0,0|1,0,1]=4 14829 B13R0.54 CCCCCCCCNCCC(=O)N 2230a_100000229939_100000744528 [0,2,0,0,0,0|0,0,0]=2 14830 B13R0.54 CCCCCCCCNCCC(=O)N 34a_100000229939_100000731001 [0,2,0,0,0,0|0,0,0]=2 14831 B13R0.54 CCCCCCCCNCCC(C)C 2230a_100000229939_100000210312 [0,2,0,0,0,0|1,0,1]=4 14832 B13R0.54 CCCCCCCCNCCC(C)C 269862a_100000229939_100000185833 [0,2,0,0,0,0|1,0,1]=4 14833 B13R0.54 CCCCCCCCNCCC(C)C 34a_100000229939_100000210312 [0,2,0,0,0,0|1,0,1]=4 14834 B13R0.54 CCCCCCCCNCCC(C)O 2230a_100000229939_100012276601 [0,2,0,0,0,0|0,0,2]=4 14835 B13R0.54 CCCCCCCCNCCC(C)O 2230a_200000755665_100000210759 [0,2,0,0,0,0|0,0,2]=4 14836 B13R0.54 CCCCCCCCNCCC(C)O 34a_100000229939_100012276601 [0,2,0,0,0,0|0,0,2]=4 14837 B13R0.54 CCCCCCCCNCOC(=O)C 34a_100000229939_100009813279 [0,2,0,0,0,0|1,0,0]=3 14838 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [0,2,0,0,0,0|1,0,0]=3 14839 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000210232_100000761012 [0,2,0,0,0,0|1,0,1]=4 14840 B13R0.54 CCCCCCCCOCC=C(C)C 34a_100000753907_100000210759 [0,2,0,0,0,0|1,0,1]=4 14841 B13R0.54 CCCCCCCCOCC=C(C)C 7a_100000210232_100000761012 [0,2,0,0,0,0|1,0,1]=4 14842 B13R0.54 CCCCCCCCOCCC(=O)C 34a_100000759926_100000210759 [0,2,0,0,0,0|0,0,0]=2 14843 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000210232_100000053229 [0,2,0,0,0,0|0,0,0]=2 14844 B13R0.54 CCCCCCCCOCCC(=O)C 7a_100000759926_100000210759 [0,2,0,0,0,0|0,0,0]=2 14845 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000210232_100000731001 [0,2,0,0,0,0|0,0,0]=2 14846 B13R0.54 CCCCCCCCOCCC(=O)N 34a_100000757172_100000210759 [0,2,0,0,0,0|0,0,0]=2 14847 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000210232_100000744528 [0,2,0,0,0,0|0,0,0]=2 14848 B13R0.54 CCCCCCCCOCCC(=O)N 7a_100000757172_100000210759 [0,2,0,0,0,0|0,0,0]=2 14849 B13R0.54 CCCCCCCCOCCC(C)Br 34a_100009893172_100000210759 [0,2,0,0,0,0|1,0,1]=4 14850 B13R0.54 CCCCCCCCOCCC(C)C 34a_100000210232_100000210312 [0,2,0,0,0,0|1,0,1]=4 14851 B13R0.54 CCCCCCCCOCCC(C)C 34a_100000210254_100000210759 [0,2,0,0,0,0|1,0,1]=4 14852 B13R0.54 CCCCCCCCOCCC(C)C 7a_100000210232_100000210626 [0,2,0,0,0,0|1,0,1]=4 14853 B13R0.54 CCCCCCCCOCCC(C)C 7a_100000210254_100000210759 [0,2,0,0,0,0|1,0,1]=4 14854 B13R0.54 CCCCCCCCOCCC(C)O 34a_100000210232_100012276601 [0,2,0,0,0,0|0,0,2]=4 14855 B13R0.54 CCCCCCCCOCCC(C)O 7a_100000210232_100012276601 [0,2,0,0,0,0|0,0,2]=4 14856 B13R0.54 CCCCCCCCOCCC(F)F 34a_100103093639_100000210759 [0,2,0,0,0,0|1,0,1]=4 14857 B13R0.54 CCCCCCCCOCCN(C)C 7a_100000210232_100000755713 [0,2,0,0,0,0|2,0,0]=4 14858 B13R0.54 CCCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210759 [0,2,0,0,0,0|1,0,1]=4 14859 B13R0.54 CCCCCCCCOCOC(=O)C 34a_100000210232_100009813279 [0,2,0,0,0,0|1,0,0]=3 14860 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000053229_100000210317 [0,2,0,0,0,0|0,0,0]=2 14861 B13R0.54 CCCCCCCCSCCC(=O)C 62a_100000210759_100000053229 [0,2,0,0,0,0|0,0,0]=2 14862 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000210759_100000744528 [0,2,0,0,0,0|0,0,0]=2 14863 B13R0.54 CCCCCCCCSCCC(=O)N 62a_100000744528_100000210317 [0,2,0,0,0,0|0,0,0]=2 14864 B13R0.54 CCCCCCCCSCCC(C)O 62a_100000210759_100012276601 [0,2,0,0,0,0|0,0,2]=4 14865 B13R0.54 CCCCCCCCSCCC(C)O 62a_100012276601_100000210317 [0,2,0,0,0,0|0,0,2]=4 14866 B13R0.54 CCCCCCCCSCCN(C)C 62a_100000210759_100000755713 [0,2,0,0,0,0|2,0,0]=4 14867 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000076356_100000210317 [0,2,0,0,0,0|1,0,0]=3 14868 B13R0.54 CCCCCCCCSCOC(=O)C 62a_100000210759_100000076356 [0,2,0,0,0,0|1,0,0]=3 14869 B13R0.54 CCCCCCCNCCC=C(C)C 2230a_100000229938_100011217483 [0,2,0,0,0,0|1,0,1]=4 14870 B13R0.54 CCCCCCCNCCC=C(F)F 2230a_100000229938_200009816681 [0,2,0,0,0,0|1,0,1]=4 14871 B13R0.54 CCCCCCCNCCCC(=O)N 34a_100000739312_100000210614 [0,2,0,0,0,0|0,0,0]=2 14872 B13R0.54 CCCCCCCNCCCC(C)C 2230a_100000229938_100011214892 [0,2,0,0,0,0|1,0,1]=4 14873 B13R0.54 CCCCCCCNCCCC(C)C 2230a_200000737386_100000210681 [0,2,0,0,0,0|1,0,1]=4 14874 B13R0.54 CCCCCCCNCCCC(C)C 34a_200000737386_100000210614 [0,2,0,0,0,0|1,0,1]=4 14875 B13R0.54 CCCCCCCNCCCC(C)O 2230a_100000229938_200000718107 [0,2,0,0,0,0|0,0,2]=4 14876 B13R0.54 CCCCCCCNCCCS(=O)C 2230a_200000753449_100000210681 [0,2,0,0,0,0|1,0,0]=3 14877 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000209853_100000210681 [0,2,0,0,0,0|1,0,0]=3 14878 B13R0.54 CCCCCCCNCCNC(=O)C 2230a_100000229938_100000189650 [0,2,0,0,0,0|1,0,0]=3 14879 B13R0.54 CCCCCCCNCCNC(=O)N 2230a_100000229938_200000034859 [0,2,0,0,0,0|1,0,0]=3 14880 B13R0.54 CCCCCCCNCCNC(=O)N 34a_100020590234_100000210614 [0,2,0,0,0,0|1,0,0]=3 14881 B13R0.54 CCCCCCCOCCC=C(C)C 34a_100000210272_100011217483 [0,2,0,0,0,0|1,0,1]=4 14882 B13R0.54 CCCCCCCOCCC=C(C)C 7a_100000210272_100011217483 [0,2,0,0,0,0|1,0,1]=4 14883 B13R0.54 CCCCCCCOCCC=C(F)F 34a_100000210272_200009816681 [0,2,0,0,0,0|1,0,1]=4 14884 B13R0.54 CCCCCCCOCCC=C(F)F 7a_100000210272_200009816681 [0,2,0,0,0,0|1,0,1]=4 14885 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000210272_100000685027 [0,2,0,0,0,0|0,0,0]=2 14886 B13R0.54 CCCCCCCOCCCC(=O)C 34a_100000759063_100000210614 [0,2,0,0,0,0|0,0,0]=2 14887 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000210272_100011215641 [0,2,0,0,0,0|0,0,0]=2 14888 B13R0.54 CCCCCCCOCCCC(=O)C 7a_100000759063_100000210614 [0,2,0,0,0,0|0,0,0]=2 14889 B13R0.54 CCCCCCCOCCCC(=O)N 34a_100000210272_100102525003 [0,2,0,0,0,0|0,0,0]=2 14890 B13R0.54 CCCCCCCOCCCC(=O)N 7a_100000210272_100102525003 [0,2,0,0,0,0|0,0,0]=2 14891 B13R0.54 CCCCCCCOCCCC(C)C 34a_100000210272_100011214892 [0,2,0,0,0,0|1,0,1]=4 14892 B13R0.54 CCCCCCCOCCCC(C)C 34a_100000210774_100000210614 [0,2,0,0,0,0|1,0,1]=4 14893 B13R0.54 CCCCCCCOCCCC(C)C 7a_100000210272_100011214892 [0,2,0,0,0,0|1,0,1]=4 14894 B13R0.54 CCCCCCCOCCCC(C)C 7a_100000210774_100000210614 [0,2,0,0,0,0|1,0,1]=4 14895 B13R0.54 CCCCCCCOCCCC(C)O 34a_100000210272_200000718107 [0,2,0,0,0,0|0,0,2]=4 14896 B13R0.54 CCCCCCCOCCCC(C)O 7a_100000210272_200000718107 [0,2,0,0,0,0|0,0,2]=4 14897 B13R0.54 CCCCCCCOCCCN(C)C 7a_100000210272_100000757444 [0,2,0,0,0,0|2,0,0]=4 14898 B13R0.54 CCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210614 [0,2,0,0,0,0|1,0,0]=3 14899 B13R0.54 CCCCCCCOCCNC(=O)C 34a_100000158858_100000210614 [0,2,0,0,0,0|1,0,0]=3 14900 B13R0.54 CCCCCCCOCCNC(=O)C 7a_100000210272_100000189650 [0,2,0,0,0,0|1,0,0]=3 14901 B13R0.54 CCCCCCCOCCNC(=O)N 34a_100000181757_100000210614 [0,2,0,0,0,0|1,0,0]=3 14902 B13R0.54 CCCCCCCOCCNC(=O)N 7a_100000210272_200000034859 [0,2,0,0,0,0|1,0,0]=3 14903 B13R0.54 CCCCCCCOCCOC(=O)C 34a_100000210272_100009814007 [0,2,0,0,0,0|1,0,0]=3 14904 B13R0.54 CCCCCCCOCCOC(=O)C 7a_100000210272_100009814007 [0,2,0,0,0,0|1,0,0]=3 14905 B13R0.54 CCCCCCCOCCOC(=O)N 34a_100000210272_200011214921 [0,2,0,0,0,0|1,0,0]=3 14906 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000210272_200011214921 [0,2,0,0,0,0|1,0,0]=3 14907 B13R0.54 CCCCCCCOCCOC(=O)N 7a_100000766696_100000210614 [0,2,0,0,0,0|1,0,0]=3 14908 B13R0.54 CCCCCCCSCCC=C(F)F 62a_100000210614_200009816681 [0,2,0,0,0,0|1,0,1]=4 14909 B13R0.54 CCCCCCCSCCC=C(F)F 62a_200009816681_100000210316 [0,2,0,0,0,0|1,0,1]=4 14910 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100000210614_100011215641 [0,2,0,0,0,0|0,0,0]=2 14911 B13R0.54 CCCCCCCSCCCC(=O)C 62a_100011215641_100000210316 [0,2,0,0,0,0|0,0,0]=2 14912 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100000210614_100102525003 [0,2,0,0,0,0|0,0,0]=2 14913 B13R0.54 CCCCCCCSCCCC(=O)N 62a_100102525003_100000210316 [0,2,0,0,0,0|0,0,0]=2 14914 B13R0.54 CCCCCCCSCCCC(C)O 62a_100000210614_200000718107 [0,2,0,0,0,0|0,0,2]=4 14915 B13R0.54 CCCCCCCSCCCC(C)O 62a_200000718107_100000210316 [0,2,0,0,0,0|0,0,2]=4 14916 B13R0.54 CCCCCCCSCCCN(C)C 62a_100000210614_100000757444 [0,2,0,0,0,0|2,0,0]=4 14917 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000189650_100000210316 [0,2,0,0,0,0|1,0,0]=3 14918 B13R0.54 CCCCCCCSCCNC(=O)C 62a_100000210614_100000189650 [0,2,0,0,0,0|1,0,0]=3 14919 B13R0.54 CCCCCCCSCCNC(=O)N 62a_100000210614_200000034859 [0,2,0,0,0,0|1,0,0]=3 14920 B13R0.54 CCCCCCCSCCNC(=O)N 62a_200000034859_100000210316 [0,2,0,0,0,0|1,0,0]=3 14921 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100000210614_100009814007 [0,2,0,0,0,0|1,0,0]=3 14922 B13R0.54 CCCCCCCSCCOC(=O)C 62a_100009814007_100000210316 [0,2,0,0,0,0|1,0,0]=3 14923 B13R0.54 CCCCCCCSCCOC(=O)N 62a_100000210614_200011214921 [0,2,0,0,0,0|1,0,0]=3 14924 B13R0.54 CCCCCCCSCCOC(=O)N 62a_200011214921_100000210316 [0,2,0,0,0,0|1,0,0]=3 14925 B13R0.54 CCCCCCNCCCCB(O)O 2230a_100000210581_200009817182 [0,2,0,0,0,0|1,0,1]=4 14926 B13R0.54 CCCCCCNCCCCC(=O)N 34a_100000696515_100000210314 [0,2,0,0,0,0|0,0,0]=2 14927 B13R0.54 CCCCCCNCCCCC(C)C 2230a_100000210581_100011216152 [0,2,0,0,0,0|1,0,1]=4 14928 B13R0.54 CCCCCCNCCCNC(=O)C 34a_100000736810_100000210314 [0,2,0,0,0,0|1,0,0]=3 14929 B13R0.54 CCCCCCNCCCOC(=S)C 2230a_100000210581_200135323944 [0,2,0,0,0,0|1,1,0]=4 14930 B13R0.54 CCCCCCNCCCSC(=O)C 2230a_100000210581_100000038929 [0,2,0,0,0,0|1,0,0]=3 14931 B13R0.54 CCCCCCNCCOCC(=O)N 2230a_100000210581_100000076697 [0,2,0,0,0,0|1,0,0]=3 14932 B13R0.54 CCCCCCNCCOCC(=O)O 269956a_100000700818_100000210757 [0,2,0,0,0,0|1,0,0]=3 14933 B13R0.54 CCCCCCOCCCCB(O)O 34a_100000210259_200009817182 [0,2,0,0,0,0|1,0,1]=4 14934 B13R0.54 CCCCCCOCCCCB(O)O 7a_100000210259_200009817182 [0,2,0,0,0,0|1,0,1]=4 14935 B13R0.54 CCCCCCOCCCCC(=O)C 34a_100000210259_100009817362 [0,2,0,0,0,0|0,0,0]=2 14936 B13R0.54 CCCCCCOCCCCC(=O)C 7a_100000210259_100000735457 [0,2,0,0,0,0|0,0,0]=2 14937 B13R0.54 CCCCCCOCCCCC(=O)N 34a_100012022536_100000210314 [0,2,0,0,0,0|0,0,0]=2 14938 B13R0.54 CCCCCCOCCCCC(=O)N 7a_100012022536_100000210314 [0,2,0,0,0,0|0,0,0]=2 14939 B13R0.54 CCCCCCOCCCCC(C)C 34a_100000210259_100011216152 [0,2,0,0,0,0|1,0,1]=4 14940 B13R0.54 CCCCCCOCCCCC(C)C 34a_100011214890_100000210314 [0,2,0,0,0,0|1,0,1]=4 14941 B13R0.54 CCCCCCOCCCCC(C)C 7a_100000210259_100011216152 [0,2,0,0,0,0|1,0,1]=4 14942 B13R0.54 CCCCCCOCCCCC(C)C 7a_100011214890_100000210314 [0,2,0,0,0,0|1,0,1]=4 14943 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210314 [0,2,0,0,0,0|1,0,0]=3 14944 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210314 [0,2,0,0,0,0|1,0,0]=3 14945 B13R0.54 CCCCCCOCCCNC(=O)C 34a_100000752032_100000210314 [0,2,0,0,0,0|1,0,0]=3 14946 B13R0.54 CCCCCCOCCCOC(=O)C 34a_100000210259_100000042594 [0,2,0,0,0,0|1,0,0]=3 14947 B13R0.54 CCCCCCOCCCOC(=O)C 7a_100000210259_100000042594 [0,2,0,0,0,0|1,0,0]=3 14948 B13R0.54 CCCCCCOCCCOC(=S)C 34a_100000210259_200135323944 [0,2,0,0,0,0|1,1,0]=4 14949 B13R0.54 CCCCCCOCCCOC(=S)C 7a_100000210259_200135323944 [0,2,0,0,0,0|1,1,0]=4 14950 B13R0.54 CCCCCCOCCCSC(=O)C 34a_100000210259_100000038929 [0,2,0,0,0,0|1,0,0]=3 14951 B13R0.54 CCCCCCOCCCSC(=O)C 7a_100000210259_100000038929 [0,2,0,0,0,0|1,0,0]=3 14952 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000210259_100000076697 [0,2,0,0,0,0|1,0,0]=3 14953 B13R0.54 CCCCCCOCCOCC(=O)N 34a_100000691444_100000187820 [0,2,0,0,0,0|1,0,0]=3 14954 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000210259_100000076697 [0,2,0,0,0,0|1,0,0]=3 14955 B13R0.54 CCCCCCOCCOCC(=O)N 7a_100000691444_100000187820 [0,2,0,0,0,0|1,0,0]=3 14956 B13R0.54 CCCCCCOCCOCC(=O)[O-] 34a_100000691444_100020667443 [0,2,0,0,0,0|1,0,0]=3 14957 B13R0.54 CCCCCCOCCOC[N+](=O)[O-] 34a_100000691444_100000761209 [0,2,0,0,0,0|2,0,0]=4 14958 B13R0.54 CCCCCCSCCCCB(O)O 62a_100000210314_200009817182 [0,2,0,0,0,0|1,0,1]=4 14959 B13R0.54 CCCCCCSCCCCB(O)O 62a_200009817182_100000210757 [0,2,0,0,0,0|1,0,1]=4 14960 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000210314_100000735457 [0,2,0,0,0,0|0,0,0]=2 14961 B13R0.54 CCCCCCSCCCCC(=O)C 62a_100000735457_100000210757 [0,2,0,0,0,0|0,0,0]=2 14962 B13R0.54 CCCCCCSCCCCN(C)C 62a_100000210314_100000690147 [0,2,0,0,0,0|2,0,0]=4 14963 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000042594_100000210757 [0,2,0,0,0,0|1,0,0]=3 14964 B13R0.54 CCCCCCSCCCOC(=O)C 62a_100000210314_100000042594 [0,2,0,0,0,0|1,0,0]=3 14965 B13R0.54 CCCCCCSCCCOC(=S)C 62a_100000210314_200135323944 [0,2,0,0,0,0|1,1,0]=4 14966 B13R0.54 CCCCCCSCCCOC(=S)C 62a_200135323944_100000210757 [0,2,0,0,0,0|1,1,0]=4 14967 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000038929_100000210757 [0,2,0,0,0,0|1,0,0]=3 14968 B13R0.54 CCCCCCSCCCSC(=O)C 62a_100000210314_100000038929 [0,2,0,0,0,0|1,0,0]=3 14969 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000076697_100000210757 [0,2,0,0,0,0|1,0,0]=3 14970 B13R0.54 CCCCCCSCCOCC(=O)N 62a_100000210314_100000076697 [0,2,0,0,0,0|1,0,0]=3 14971 B13R0.54 CCCCCNCCCCCB(O)O 2230a_100000209983_200009817188 [0,2,0,0,0,0|1,0,1]=4 14972 B13R0.54 CCCCCNCCCCCC(=O)N 2230a_100000209983_100009817443 [0,2,0,0,0,0|0,0,0]=2 14973 B13R0.54 CCCCCNCCCCCC(C)C 2230a_100000209983_100000210682 [0,2,0,0,0,0|1,0,1]=4 14974 B13R0.54 CCCCCNCCCCCC(C)C 2230a_100011290863_100000210326 [0,2,0,0,0,0|1,0,1]=4 14975 B13R0.54 CCCCCNCCCCCC(C)C 34a_100011290863_100000718602 [0,2,0,0,0,0|1,0,1]=4 14976 B13R0.54 CCCCCNCCCCNC(=O)C 2230a_200011368371_100000210326 [0,2,0,0,0,0|1,0,0]=3 14977 B13R0.54 CCCCCNCCCCNC(=O)C 34a_200011368371_100000718602 [0,2,0,0,0,0|1,0,0]=3 14978 B13R0.54 CCCCCNCCCCSC(=O)C 2230a_100000209983_200010402107 [0,2,0,0,0,0|1,0,0]=3 14979 B13R0.54 CCCCCNCCOCCC(=O)N 34a_100000224656_100000731001 [0,2,0,0,0,0|1,0,0]=3 14980 B13R0.54 CCCCCNCCOCOC(=O)C 34a_100000224656_100009813279 [0,2,0,0,0,0|2,0,0]=4 14981 B13R0.54 CCCCCOCCCCCB(O)O 34a_100000210253_200009817188 [0,2,0,0,0,0|1,0,1]=4 14982 B13R0.54 CCCCCOCCCCCB(O)O 7a_100000210253_200009817188 [0,2,0,0,0,0|1,0,1]=4 14983 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000123541_100000718602 [0,2,0,0,0,0|0,0,0]=2 14984 B13R0.54 CCCCCOCCCCCC(=O)N 34a_100000210253_100009817443 [0,2,0,0,0,0|0,0,0]=2 14985 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000123541_100000210326 [0,2,0,0,0,0|0,0,0]=2 14986 B13R0.54 CCCCCOCCCCCC(=O)N 7a_100000210253_100009817443 [0,2,0,0,0,0|0,0,0]=2 14987 B13R0.54 CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210326 [0,2,0,0,0,0|0,0,0]=2 14988 B13R0.54 CCCCCOCCCCCC(C)C 34a_100000210253_100000210682 [0,2,0,0,0,0|1,0,1]=4 14989 B13R0.54 CCCCCOCCCCCC(C)C 34a_100011995859_100000718602 [0,2,0,0,0,0|1,0,1]=4 14990 B13R0.54 CCCCCOCCCCCC(C)C 7a_100000210253_100000210682 [0,2,0,0,0,0|1,0,1]=4 14991 B13R0.54 CCCCCOCCCCCC(C)C 7a_100011995859_100000210326 [0,2,0,0,0,0|1,0,1]=4 14992 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000073216_100000718602 [0,2,0,0,0,0|1,0,0]=3 14993 B13R0.54 CCCCCOCCCCOC(=O)C 34a_100000210253_100000033659 [0,2,0,0,0,0|1,0,0]=3 14994 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000073216_100000210326 [0,2,0,0,0,0|1,0,0]=3 14995 B13R0.54 CCCCCOCCCCOC(=O)C 7a_100000210253_100000033659 [0,2,0,0,0,0|1,0,0]=3 14996 B13R0.54 CCCCCOCCCCO[N+](=O)[O-] 34a_100000210253_100015694321 [0,2,0,0,0,0|2,0,0]=4 14997 B13R0.54 CCCCCOCCCCO[N+](=O)[O-] 7a_100000210253_100015694321 [0,2,0,0,0,0|2,0,0]=4 14998 B13R0.54 CCCCCOCCCCSC(=O)C 34a_100000210253_200010402107 [0,2,0,0,0,0|1,0,0]=3 14999 B13R0.54 CCCCCOCCCCSC(=O)C 7a_100000210253_200010402107 [0,2,0,0,0,0|1,0,0]=3 15000 B13R0.54 CCCCCOCCOCCC(=O)C 7a_100011215259_100000053229 [0,2,0,0,0,0|1,0,0]=3 15001 B13R0.54 CCCCCOCCOCCC(=O)N 34a_100011215259_100000731001 [0,2,0,0,0,0|1,0,0]=3 15002 B13R0.54 CCCCCOCCOCCC(=O)N 7a_100011215259_100000744528 [0,2,0,0,0,0|1,0,0]=3 15003 B13R0.54 CCCCCOCCOCOC(=O)C 34a_100011215259_100009813279 [0,2,0,0,0,0|2,0,0]=4 15004 B13R0.54 CCCCCOCOCCOC(=O)C 34a_100000210253_100000076355 [0,2,0,0,0,0|2,0,0]=4 15005 B13R0.54 CCCCCSCCCCCB(O)O 62a_100000210326_200009817188 [0,2,0,0,0,0|1,0,1]=4 15006 B13R0.54 CCCCCSCCCCCB(O)O 62a_200009817188_100000210326 [0,2,0,0,0,0|1,0,1]=4 15007 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100000210326_100009817443 [0,2,0,0,0,0|0,0,0]=2 15008 B13R0.54 CCCCCSCCCCCC(=O)N 62a_100009817443_100000210326 [0,2,0,0,0,0|0,0,0]=2 15009 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000033659_100000210326 [0,2,0,0,0,0|1,0,0]=3 15010 B13R0.54 CCCCCSCCCCOC(=O)C 62a_100000210326_100000033659 [0,2,0,0,0,0|1,0,0]=3 15011 B13R0.54 CCCCCSCCCCO[N+](=O)[O-] 62a_100000210326_100015694321 [0,2,0,0,0,0|2,0,0]=4 15012 B13R0.54 CCCCCSCCCCSC(=O)C 62a_100000210326_200010402107 [0,2,0,0,0,0|1,0,0]=3 15013 B13R0.54 CCCCCSCCCCSC(=O)C 62a_200010402107_100000210326 [0,2,0,0,0,0|1,0,0]=3 15014 B13R0.54 CCCCCSCOCCOC(=O)C 62a_100000076355_100000210326 [0,2,0,0,0,0|2,0,0]=4 15015 B13R0.54 CCCCCSCOCCOC(=O)C 62a_100000210326_100000076355 [0,2,0,0,0,0|2,0,0]=4 15016 B13R0.54 CCCCNCCCCCCB(O)O 2230a_100000102301_100009817187 [0,2,0,0,0,0|1,0,1]=4 15017 B13R0.54 CCCCNCCCCCCB(O)O 7a_106832991798_100009817187 [0,2,0,0,0,0|1,0,1]=4 15018 B13R0.54 CCCCNCCCCCCC(C)C 2230a_100000211014_100000210211 [0,2,0,0,0,0|1,0,1]=4 15019 B13R0.54 CCCCNCCCCCCC(C)C 34a_100000211014_100000210210 [0,2,0,0,0,0|1,0,1]=4 15020 B13R0.54 CCCCNCCCCCNC(=O)C 2230a_200012022750_100000210211 [0,2,0,0,0,0|1,0,0]=3 15021 B13R0.54 CCCCNCCCCCNC(=O)C 34a_200012022750_100000210210 [0,2,0,0,0,0|1,0,0]=3 15022 B13R0.54 CCCCNCCCCCOC(=O)C 2230a_100000102301_100009813381 [0,2,0,0,0,0|1,0,0]=3 15023 B13R0.54 CCCCNCCCCCOC(=O)C 7a_106832991798_100000033007 [0,2,0,0,0,0|1,0,0]=3 15024 B13R0.54 CCCCNCCCCOCC(=O)N 34a_200011216965_100000187820 [0,2,0,0,0,0|1,0,0]=3 15025 B13R0.54 CCCCNCCCCOCC(=O)[O-] 34a_200011216965_100020667443 [0,2,0,0,0,0|1,0,0]=3 15026 B13R0.54 CCCCNCCCCOC[N+](=O)[O-] 34a_200011216965_100000761209 [0,2,0,0,0,0|2,0,0]=4 15027 B13R0.54 CCCCNCCOCCOC(=O)C 2230a_100000102301_200000083610 [0,2,0,0,0,0|2,0,0]=4 15028 B13R0.54 CCCCNCCOCCOC(=O)C 7a_106832991798_200000083610 [0,2,0,0,0,0|2,0,0]=4 15029 B13R0.54 CCCCOCCCCCCB(O)O 34a_100000210227_100009817187 [0,2,0,0,0,0|1,0,1]=4 15030 B13R0.54 CCCCOCCCCCCB(O)O 7a_100000210227_100009817187 [0,2,0,0,0,0|1,0,1]=4 15031 B13R0.54 CCCCOCCCCCOC(=O)C 34a_100000210227_100000033007 [0,2,0,0,0,0|1,0,0]=3 15032 B13R0.54 CCCCOCCCCCOC(=O)C 7a_100000210227_100000033007 [0,2,0,0,0,0|1,0,0]=3 15033 B13R0.54 CCCCOCCCCOCC(=O)N 34a_200000760531_100000187820 [0,2,0,0,0,0|1,0,0]=3 15034 B13R0.54 CCCCOCCCCOCC(=O)N 7a_200000760531_100000187820 [0,2,0,0,0,0|1,0,0]=3 15035 B13R0.54 CCCCOCCCCOCC(=O)[O-] 34a_200000760531_100020667443 [0,2,0,0,0,0|1,0,0]=3 15036 B13R0.54 CCCCOCCCCOC[N+](=O)[O-] 34a_200000760531_100000761209 [0,2,0,0,0,0|2,0,0]=4 15037 B13R0.54 CCCCOCCCNCCC(=O)N 2230a_200000211371_100000744528 [0,2,0,0,0,0|1,0,0]=3 15038 B13R0.54 CCCCOCCCNCCC(=O)N 34a_200000211371_100000731001 [0,2,0,0,0,0|1,0,0]=3 15039 B13R0.54 CCCCOCCCNCOC(=O)C 34a_200000211371_100009813279 [0,2,0,0,0,0|2,0,0]=4 15040 B13R0.54 CCCCOCCCOCCC(=O)C 7a_200011215613_100000053229 [0,2,0,0,0,0|1,0,0]=3 15041 B13R0.54 CCCCOCCCOCCC(=O)N 34a_200011215613_100000731001 [0,2,0,0,0,0|1,0,0]=3 15042 B13R0.54 CCCCOCCCOCCC(=O)N 7a_200011215613_100000744528 [0,2,0,0,0,0|1,0,0]=3 15043 B13R0.54 CCCCOCCCOCOC(=O)C 34a_200011215613_100009813279 [0,2,0,0,0,0|2,0,0]=4 15044 B13R0.54 CCCCOCCNCCCC(=O)N 34a_100000739312_100000743108 [0,2,0,0,0,0|1,0,0]=3 15045 B13R0.54 CCCCOCCNCCCS(=O)C 2230a_200000753449_100000743108 [0,2,0,0,0,0|2,0,0]=4 15046 B13R0.54 CCCCOCCNCCNC(=O)C 2230a_100000209853_100000743108 [0,2,0,0,0,0|2,0,0]=4 15047 B13R0.54 CCCCOCCNCCNC(=O)N 34a_100020590234_100000743108 [0,2,0,0,0,0|2,0,0]=4 15048 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000210238_100000685027 [0,2,0,0,0,0|1,0,0]=3 15049 B13R0.54 CCCCOCCOCCCC(=O)C 34a_100000759063_100000743108 [0,2,0,0,0,0|1,0,0]=3 15050 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000210238_100011215641 [0,2,0,0,0,0|1,0,0]=3 15051 B13R0.54 CCCCOCCOCCCC(=O)C 7a_100000759063_100000743108 [0,2,0,0,0,0|1,0,0]=3 15052 B13R0.54 CCCCOCCOCCCC(=O)N 34a_100000210238_100102525003 [0,2,0,0,0,0|1,0,0]=3 15053 B13R0.54 CCCCOCCOCCCC(=O)N 7a_100000210238_100102525003 [0,2,0,0,0,0|1,0,0]=3 15054 B13R0.54 CCCCOCCOCCC[N+](=O)[O-] 34a_200000037920_100000743108 [0,2,0,0,0,0|2,0,0]=4 15055 B13R0.54 CCCCOCCOCCNC(=O)C 34a_100000158858_100000743108 [0,2,0,0,0,0|2,0,0]=4 15056 B13R0.54 CCCCOCCOCCNC(=O)C 7a_100000210238_100000189650 [0,2,0,0,0,0|2,0,0]=4 15057 B13R0.54 CCCCOCCOCCNC(=O)N 34a_100000181757_100000743108 [0,2,0,0,0,0|2,0,0]=4 15058 B13R0.54 CCCCOCCOCCNC(=O)N 7a_100000210238_200000034859 [0,2,0,0,0,0|2,0,0]=4 15059 B13R0.54 CCCCOCCOCCOC(=O)C 34a_100000210227_200000083610 [0,2,0,0,0,0|2,0,0]=4 15060 B13R0.54 CCCCOCCOCCOC(=O)C 34a_100000210238_100009814007 [0,2,0,0,0,0|2,0,0]=4 15061 B13R0.54 CCCCOCCOCCOC(=O)C 7a_100000210227_200000083610 [0,2,0,0,0,0|2,0,0]=4 15062 B13R0.54 CCCCOCCOCCOC(=O)C 7a_100000210238_100009814007 [0,2,0,0,0,0|2,0,0]=4 15063 B13R0.54 CCCCOCCOCCOC(=O)N 34a_100000210238_200011214921 [0,2,0,0,0,0|2,0,0]=4 15064 B13R0.54 CCCCOCCOCCOC(=O)N 7a_100000210238_200011214921 [0,2,0,0,0,0|2,0,0]=4 15065 B13R0.54 CCCCOCCOCCOC(=O)N 7a_100000766696_100000743108 [0,2,0,0,0,0|2,0,0]=4 15066 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100000743108_100011215641 [0,2,0,0,0,0|1,0,0]=3 15067 B13R0.54 CCCCOCCSCCCC(=O)C 62a_100011215641_100000743108 [0,2,0,0,0,0|1,0,0]=3 15068 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100000743108_100102525003 [0,2,0,0,0,0|1,0,0]=3 15069 B13R0.54 CCCCOCCSCCCC(=O)N 62a_100102525003_100000743108 [0,2,0,0,0,0|1,0,0]=3 15070 B13R0.54 CCCCOCCSCCNC(=O)C 62a_100000189650_100000743108 [0,2,0,0,0,0|2,0,0]=4 15071 B13R0.54 CCCCOCCSCCNC(=O)C 62a_100000743108_100000189650 [0,2,0,0,0,0|2,0,0]=4 15072 B13R0.54 CCCCOCCSCCNC(=O)N 62a_100000743108_200000034859 [0,2,0,0,0,0|2,0,0]=4 15073 B13R0.54 CCCCOCCSCCNC(=O)N 62a_200000034859_100000743108 [0,2,0,0,0,0|2,0,0]=4 15074 B13R0.54 CCCCOCCSCCOC(=O)C 62a_100000743108_100009814007 [0,2,0,0,0,0|2,0,0]=4 15075 B13R0.54 CCCCOCCSCCOC(=O)C 62a_100009814007_100000743108 [0,2,0,0,0,0|2,0,0]=4 15076 B13R0.54 CCCCOCCSCCOC(=O)N 62a_100000743108_200011214921 [0,2,0,0,0,0|2,0,0]=4 15077 B13R0.54 CCCCOCCSCCOC(=O)N 62a_200011214921_100000743108 [0,2,0,0,0,0|2,0,0]=4 15078 B13R0.54 CCCCOCNCCCCC(=O)N 34a_100000696515_100011995733 [0,2,0,0,0,0|1,0,0]=3 15079 B13R0.54 CCCCOCNCCCNC(=O)C 34a_100000736810_100011995733 [0,2,0,0,0,0|2,0,0]=4 15080 B13R0.54 CCCCOCNCCOCC(=O)O 269956a_100000700818_100011995733 [0,2,0,0,0,0|2,0,0]=4 15081 B13R0.54 CCCCOCOCCCCC(=O)N 34a_100012022536_100011995733 [0,2,0,0,0,0|1,0,0]=3 15082 B13R0.54 CCCCOCOCCCC[N+](=O)[O-] 34a_200015379883_100011995733 [0,2,0,0,0,0|2,0,0]=4 15083 B13R0.54 CCCCOCOCCCNC(=O)C 34a_100000752032_100011995733 [0,2,0,0,0,0|2,0,0]=4 15084 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100000735457_100011995733 [0,2,0,0,0,0|1,0,0]=3 15085 B13R0.54 CCCCOCSCCCCC(=O)C 62a_100011995733_100000735457 [0,2,0,0,0,0|1,0,0]=3 15086 B13R0.54 CCCCOCSCCCOC(=O)C 62a_100000042594_100011995733 [0,2,0,0,0,0|2,0,0]=4 15087 B13R0.54 CCCCOCSCCCOC(=O)C 62a_100011995733_100000042594 [0,2,0,0,0,0|2,0,0]=4 15088 B13R0.54 CCCCOCSCCCSC(=O)C 62a_100000038929_100011995733 [0,2,0,0,0,0|2,0,0]=4 15089 B13R0.54 CCCCOCSCCCSC(=O)C 62a_100011995733_100000038929 [0,2,0,0,0,0|2,0,0]=4 15090 B13R0.54 CCCCOCSCCOCC(=O)N 62a_100000076697_100011995733 [0,2,0,0,0,0|2,0,0]=4 15091 B13R0.54 CCCCOCSCCOCC(=O)N 62a_100011995733_100000076697 [0,2,0,0,0,0|2,0,0]=4 15092 B13R0.54 CCCCSCCCCCCB(O)O 62a_100000210211_100009817187 [0,2,0,0,0,0|1,0,1]=4 15093 B13R0.54 CCCCSCCCCCCB(O)O 62a_100009817187_100000210210 [0,2,0,0,0,0|1,0,1]=4 15094 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000033007_100000210210 [0,2,0,0,0,0|1,0,0]=3 15095 B13R0.54 CCCCSCCCCCOC(=O)C 62a_100000210211_100000033007 [0,2,0,0,0,0|1,0,0]=3 15096 B13R0.54 CCCCSCCNCCNC(=O)C 2230a_100025743550_100000189650 [0,2,0,0,0,0|2,0,0]=4 15097 B13R0.54 CCCCSCCNCCNC(=O)N 2230a_100025743550_200000034859 [0,2,0,0,0,0|2,0,0]=4 15098 B13R0.54 CCCCSCCOCCCC(=O)C 34a_200000230436_100000685027 [0,2,0,0,0,0|1,0,0]=3 15099 B13R0.54 CCCCSCCOCCCC(=O)C 7a_200000230436_100011215641 [0,2,0,0,0,0|1,0,0]=3 15100 B13R0.54 CCCCSCCOCCCC(=O)N 34a_200000230436_100102525003 [0,2,0,0,0,0|1,0,0]=3 15101 B13R0.54 CCCCSCCOCCCC(=O)N 7a_200000230436_100102525003 [0,2,0,0,0,0|1,0,0]=3 15102 B13R0.54 CCCCSCCOCCNC(=O)C 7a_200000230436_100000189650 [0,2,0,0,0,0|2,0,0]=4 15103 B13R0.54 CCCCSCCOCCNC(=O)N 7a_200000230436_200000034859 [0,2,0,0,0,0|2,0,0]=4 15104 B13R0.54 CCCCSCCOCCOC(=O)C 34a_200000230436_100009814007 [0,2,0,0,0,0|2,0,0]=4 15105 B13R0.54 CCCCSCCOCCOC(=O)C 62a_100000210211_200000083610 [0,2,0,0,0,0|2,0,0]=4 15106 B13R0.54 CCCCSCCOCCOC(=O)C 62a_200000083610_100000210210 [0,2,0,0,0,0|2,0,0]=4 15107 B13R0.54 CCCCSCCOCCOC(=O)C 7a_200000230436_100009814007 [0,2,0,0,0,0|2,0,0]=4 15108 B13R0.54 CCCCSCCOCCOC(=O)N 34a_200000230436_200011214921 [0,2,0,0,0,0|2,0,0]=4 15109 B13R0.54 CCCCSCCOCCOC(=O)N 7a_200000230436_200011214921 [0,2,0,0,0,0|2,0,0]=4 15110 B13R0.54 CCCNCCCCCCNC(=O)C 2230a_200011996284_100000210303 [0,2,0,0,0,0|1,0,0]=3 15111 B13R0.54 CCCNCCCCCCNC(=O)C 34a_200011996284_100000210303 [0,2,0,0,0,0|1,0,0]=3 15112 B13R0.54 CCCNCCOCCOCC(=O)O 269956a_100009854275_100000210207 [0,2,0,0,0,0|2,0,0]=4 15113 B13R0.54 CCCOCCCCCCCC(C)C 34a_200000210741_100000210303 [0,2,0,0,0,0|1,0,1]=4 15114 B13R0.54 CCCOCCCCCCCC(C)C 7a_200000210741_100000210303 [0,2,0,0,0,0|1,0,1]=4 15115 B13R0.54 CCCOCCCNCCCC(=O)C 34a_100011217757_100000685027 [0,2,0,0,0,0|1,0,0]=3 15116 B13R0.54 CCCOCCCNCCCC(=O)N 34a_100011217757_100102525003 [0,2,0,0,0,0|1,0,0]=3 15117 B13R0.54 CCCOCCCNCCNC(=O)C 2230a_100011217757_100000189650 [0,2,0,0,0,0|2,0,0]=4 15118 B13R0.54 CCCOCCCNCCNC(=O)N 2230a_100011217757_200000034859 [0,2,0,0,0,0|2,0,0]=4 15119 B13R0.54 CCCOCCCNCCOC(=O)C 34a_100011217757_100009814007 [0,2,0,0,0,0|2,0,0]=4 15120 B13R0.54 CCCOCCCNCCOC(=O)N 34a_100011217757_200011214921 [0,2,0,0,0,0|2,0,0]=4 15121 B13R0.54 CCCOCCNCCCCC(=O)C 34a_100161115042_100009817362 [0,2,0,0,0,0|1,0,0]=3 15122 B13R0.54 CCCOCCNCCCCC(=O)N 34a_100000696515_100011215938 [0,2,0,0,0,0|1,0,0]=3 15123 B13R0.54 CCCOCCNCCCNC(=O)C 34a_100000736810_100011215938 [0,2,0,0,0,0|2,0,0]=4 15124 B13R0.54 CCCOCCNCCCOC(=O)C 34a_100161115042_100000042594 [0,2,0,0,0,0|2,0,0]=4 15125 B13R0.54 CCCOCCNCCCSC(=O)C 2230a_100161115042_100000038929 [0,2,0,0,0,0|2,0,0]=4 15126 B13R0.54 CCCOCCNCCCSC(=O)C 34a_100161115042_100000038929 [0,2,0,0,0,0|2,0,0]=4 15127 B13R0.54 CCCOCCNCCOCC(=O)N 2230a_100161115042_100000076697 [0,2,0,0,0,0|2,0,0]=4 15128 B13R0.54 CCCOCCNCCOCC(=O)N 34a_100161115042_100000076697 [0,2,0,0,0,0|2,0,0]=4 15129 B13R0.54 CCCOCCNCCOCC(=O)O 269956a_100000700818_100011215938 [0,2,0,0,0,0|2,0,0]=4 15130 B13R0.54 CCCOCCOCCCCC(=O)C 34a_100000752267_100009817362 [0,2,0,0,0,0|1,0,0]=3 15131 B13R0.54 CCCOCCOCCCCC(=O)C 7a_100000752267_100000735457 [0,2,0,0,0,0|1,0,0]=3 15132 B13R0.54 CCCOCCOCCCCC(=O)N 34a_100012022536_100011215938 [0,2,0,0,0,0|1,0,0]=3 15133 B13R0.54 CCCOCCOCCCCC(=O)N 7a_100012022536_100011215938 [0,2,0,0,0,0|1,0,0]=3 15134 B13R0.54 CCCOCCOCCCC[N+](=O)[O-] 34a_200015379883_100011215938 [0,2,0,0,0,0|2,0,0]=4 15135 B13R0.54 CCCOCCOCCCC[N+](=O)[O-] 7a_200015379883_100011215938 [0,2,0,0,0,0|2,0,0]=4 15136 B13R0.54 CCCOCCOCCCNC(=O)C 34a_100000752032_100011215938 [0,2,0,0,0,0|2,0,0]=4 15137 B13R0.54 CCCOCCOCCCOC(=O)C 34a_100000752267_100000042594 [0,2,0,0,0,0|2,0,0]=4 15138 B13R0.54 CCCOCCOCCCOC(=O)C 7a_100000752267_100000042594 [0,2,0,0,0,0|2,0,0]=4 15139 B13R0.54 CCCOCCOCCCSC(=O)C 34a_100000752267_100000038929 [0,2,0,0,0,0|2,0,0]=4 15140 B13R0.54 CCCOCCOCCCSC(=O)C 7a_100000752267_100000038929 [0,2,0,0,0,0|2,0,0]=4 15141 B13R0.54 CCCOCCOCCNCC(=O)N 2230a_200011904461_100000747473 [0,2,0,0,0,0|2,0,0]=4 15142 B13R0.54 CCCOCCOCCNCC(=O)N 34a_200011904461_100000187820 [0,2,0,0,0,0|2,0,0]=4 15143 B13R0.54 CCCOCCOCCNCC(=O)[O-] 34a_200011904461_100020667443 [0,2,0,0,0,0|2,0,0]=4 15144 B13R0.54 CCCOCCOCCOCC(=O)N 34a_100000752267_100000076697 [0,2,0,0,0,0|2,0,0]=4 15145 B13R0.54 CCCOCCOCCOCC(=O)N 7a_100000752267_100000076697 [0,2,0,0,0,0|2,0,0]=4 15146 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100000735457_100011215938 [0,2,0,0,0,0|1,0,0]=3 15147 B13R0.54 CCCOCCSCCCCC(=O)C 62a_100011215938_100000735457 [0,2,0,0,0,0|1,0,0]=3 15148 B13R0.54 CCCOCCSCCCOC(=O)C 62a_100000042594_100011215938 [0,2,0,0,0,0|2,0,0]=4 15149 B13R0.54 CCCOCCSCCCOC(=O)C 62a_100011215938_100000042594 [0,2,0,0,0,0|2,0,0]=4 15150 B13R0.54 CCCOCCSCCCSC(=O)C 62a_100000038929_100011215938 [0,2,0,0,0,0|2,0,0]=4 15151 B13R0.54 CCCOCCSCCCSC(=O)C 62a_100011215938_100000038929 [0,2,0,0,0,0|2,0,0]=4 15152 B13R0.54 CCCOCCSCCOCC(=O)N 62a_100000076697_100011215938 [0,2,0,0,0,0|2,0,0]=4 15153 B13R0.54 CCCOCCSCCOCC(=O)N 62a_100011215938_100000076697 [0,2,0,0,0,0|2,0,0]=4 15154 B13R0.54 CCCSCCNCCCSC(=O)C 2230a_100020603323_100000038929 [0,2,0,0,0,0|2,0,0]=4 15155 B13R0.54 CCCSCCNCCOCC(=O)N 2230a_100020603323_100000076697 [0,2,0,0,0,0|2,0,0]=4 15156 B13R0.54 CCCSCCOCCCCC(=O)C 34a_200000230433_100009817362 [0,2,0,0,0,0|1,0,0]=3 15157 B13R0.54 CCCSCCOCCCCC(=O)C 7a_200000230433_100000735457 [0,2,0,0,0,0|1,0,0]=3 15158 B13R0.54 CCCSCCOCCCOC(=O)C 34a_200000230433_100000042594 [0,2,0,0,0,0|2,0,0]=4 15159 B13R0.54 CCCSCCOCCCOC(=O)C 7a_200000230433_100000042594 [0,2,0,0,0,0|2,0,0]=4 15160 B13R0.54 CCCSCCOCCCSC(=O)C 34a_200000230433_100000038929 [0,2,0,0,0,0|2,0,0]=4 15161 B13R0.54 CCCSCCOCCCSC(=O)C 7a_200000230433_100000038929 [0,2,0,0,0,0|2,0,0]=4 15162 B13R0.54 CCCSCCOCCOCC(=O)N 34a_200000230433_100000076697 [0,2,0,0,0,0|2,0,0]=4 15163 B13R0.54 CCCSCCOCCOCC(=O)N 7a_200000230433_100000076697 [0,2,0,0,0,0|2,0,0]=4 15164 B13R0.54 CCOCCCNCCCCC(=O)C 34a_100000210961_100009817362 [0,2,0,0,0,0|1,0,0]=3 15165 B13R0.54 CCOCCCNCCCCC(=O)N 34a_100000696515_100012232248 [0,2,0,0,0,0|1,0,0]=3 15166 B13R0.54 CCOCCCNCCCNC(=O)C 34a_100000736810_100012232248 [0,2,0,0,0,0|2,0,0]=4 15167 B13R0.54 CCOCCCNCCCOC(=O)C 34a_100000210961_100000042594 [0,2,0,0,0,0|2,0,0]=4 15168 B13R0.54 CCOCCCNCCCSC(=O)C 2230a_100000210961_100000038929 [0,2,0,0,0,0|2,0,0]=4 15169 B13R0.54 CCOCCCNCCCSC(=O)C 34a_100000210961_100000038929 [0,2,0,0,0,0|2,0,0]=4 15170 B13R0.54 CCOCCCNCCOCC(=O)N 2230a_100000210961_100000076697 [0,2,0,0,0,0|2,0,0]=4 15171 B13R0.54 CCOCCCNCCOCC(=O)N 34a_100000210961_100000076697 [0,2,0,0,0,0|2,0,0]=4 15172 B13R0.54 CCOCCCNCCOCC(=O)O 269956a_100000700818_100012232248 [0,2,0,0,0,0|2,0,0]=4 15173 B13R0.54 CCOCCCOCCCCC(=O)C 34a_100000757476_100009817362 [0,2,0,0,0,0|1,0,0]=3 15174 B13R0.54 CCOCCCOCCCCC(=O)C 7a_100000757476_100000735457 [0,2,0,0,0,0|1,0,0]=3 15175 B13R0.54 CCOCCCOCCCCC(=O)N 34a_100012022536_100012232248 [0,2,0,0,0,0|1,0,0]=3 15176 B13R0.54 CCOCCCOCCCCC(=O)N 7a_100012022536_100012232248 [0,2,0,0,0,0|1,0,0]=3 15177 B13R0.54 CCOCCCOCCCC[N+](=O)[O-] 34a_200015379883_100012232248 [0,2,0,0,0,0|2,0,0]=4 15178 B13R0.54 CCOCCCOCCCC[N+](=O)[O-] 7a_200015379883_100012232248 [0,2,0,0,0,0|2,0,0]=4 15179 B13R0.54 CCOCCCOCCCNC(=O)C 34a_100000752032_100012232248 [0,2,0,0,0,0|2,0,0]=4 15180 B13R0.54 CCOCCCOCCCOC(=O)C 34a_100000757476_100000042594 [0,2,0,0,0,0|2,0,0]=4 15181 B13R0.54 CCOCCCOCCCOC(=O)C 7a_100000757476_100000042594 [0,2,0,0,0,0|2,0,0]=4 15182 B13R0.54 CCOCCCOCCCSC(=O)C 34a_100000757476_100000038929 [0,2,0,0,0,0|2,0,0]=4 15183 B13R0.54 CCOCCCOCCCSC(=O)C 7a_100000757476_100000038929 [0,2,0,0,0,0|2,0,0]=4 15184 B13R0.54 CCOCCCOCCOCC(=O)N 34a_100000757476_100000076697 [0,2,0,0,0,0|2,0,0]=4 15185 B13R0.54 CCOCCCOCCOCC(=O)N 7a_100000757476_100000076697 [0,2,0,0,0,0|2,0,0]=4 15186 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100000735457_100012232248 [0,2,0,0,0,0|1,0,0]=3 15187 B13R0.54 CCOCCCSCCCCC(=O)C 62a_100012232248_100000735457 [0,2,0,0,0,0|1,0,0]=3 15188 B13R0.54 CCOCCCSCCCOC(=O)C 62a_100000042594_100012232248 [0,2,0,0,0,0|2,0,0]=4 15189 B13R0.54 CCOCCCSCCCOC(=O)C 62a_100012232248_100000042594 [0,2,0,0,0,0|2,0,0]=4 15190 B13R0.54 CCOCCCSCCCSC(=O)C 62a_100000038929_100012232248 [0,2,0,0,0,0|2,0,0]=4 15191 B13R0.54 CCOCCCSCCCSC(=O)C 62a_100012232248_100000038929 [0,2,0,0,0,0|2,0,0]=4 15192 B13R0.54 CCOCCCSCCOCC(=O)N 62a_100000076697_100012232248 [0,2,0,0,0,0|2,0,0]=4 15193 B13R0.54 CCOCCCSCCOCC(=O)N 62a_100012232248_100000076697 [0,2,0,0,0,0|2,0,0]=4 15194 B13R0.54 CCOCCNCCCCCC(=O)N 2230a_102516460346_100009817443 [0,2,0,0,0,0|1,0,0]=3 15195 B13R0.54 CCOCCNCCCCCC(=O)N 34a_102516460346_100009817443 [0,2,0,0,0,0|1,0,0]=3 15196 B13R0.54 CCOCCNCCCCNC(=O)C 2230a_200011368371_100011215890 [0,2,0,0,0,0|2,0,0]=4 15197 B13R0.54 CCOCCNCCCCNC(=O)C 34a_200011368371_100000210147 [0,2,0,0,0,0|2,0,0]=4 15198 B13R0.54 CCOCCNCCCCOC(=O)C 34a_102516460346_100000033659 [0,2,0,0,0,0|2,0,0]=4 15199 B13R0.54 CCOCCNCCCCSC(=O)C 2230a_102516460346_200010402107 [0,2,0,0,0,0|2,0,0]=4 15200 B13R0.54 CCOCCNCCCCSC(=O)C 34a_102516460346_200010402107 [0,2,0,0,0,0|2,0,0]=4 15201 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000123541_100000210147 [0,2,0,0,0,0|1,0,0]=3 15202 B13R0.54 CCOCCOCCCCCC(=O)N 34a_100000210136_100009817443 [0,2,0,0,0,0|1,0,0]=3 15203 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000123541_100011215890 [0,2,0,0,0,0|1,0,0]=3 15204 B13R0.54 CCOCCOCCCCCC(=O)N 7a_100000210136_100009817443 [0,2,0,0,0,0|1,0,0]=3 15205 B13R0.54 CCOCCOCCCCCC(=O)[O-] 7a_100102619762_100011215890 [0,2,0,0,0,0|1,0,0]=3 15206 B13R0.54 CCOCCOCCCCOC(=O)C 34a_100000073216_100000210147 [0,2,0,0,0,0|2,0,0]=4 15207 B13R0.54 CCOCCOCCCCOC(=O)C 34a_100000210136_100000033659 [0,2,0,0,0,0|2,0,0]=4 15208 B13R0.54 CCOCCOCCCCOC(=O)C 7a_100000073216_100011215890 [0,2,0,0,0,0|2,0,0]=4 15209 B13R0.54 CCOCCOCCCCOC(=O)C 7a_100000210136_100000033659 [0,2,0,0,0,0|2,0,0]=4 15210 B13R0.54 CCOCCOCCCCSC(=O)C 34a_100000210136_200010402107 [0,2,0,0,0,0|2,0,0]=4 15211 B13R0.54 CCOCCOCCCCSC(=O)C 7a_100000210136_200010402107 [0,2,0,0,0,0|2,0,0]=4 15212 B13R0.54 CCOCCOCCNCCC(=O)N 2230a_100102712874_100000744528 [0,2,0,0,0,0|2,0,0]=4 15213 B13R0.54 CCOCCOCCNCCC(=O)N 34a_100102712874_100000731001 [0,2,0,0,0,0|2,0,0]=4 15214 B13R0.54 CCOCCOCCOCCC(=O)C 34a_100000759926_100011211534 [0,2,0,0,0,0|2,0,0]=4 15215 B13R0.54 CCOCCOCCOCCC(=O)C 7a_100000210240_100000053229 [0,2,0,0,0,0|2,0,0]=4 15216 B13R0.54 CCOCCOCCOCCC(=O)C 7a_100000759926_100011211534 [0,2,0,0,0,0|2,0,0]=4 15217 B13R0.54 CCOCCOCCOCCC(=O)N 34a_100000210240_100000731001 [0,2,0,0,0,0|2,0,0]=4 15218 B13R0.54 CCOCCOCCOCCC(=O)N 34a_100000757172_100011211534 [0,2,0,0,0,0|2,0,0]=4 15219 B13R0.54 CCOCCOCCOCCC(=O)N 7a_100000210240_100000744528 [0,2,0,0,0,0|2,0,0]=4 15220 B13R0.54 CCOCCOCCOCCC(=O)N 7a_100000757172_100011211534 [0,2,0,0,0,0|2,0,0]=4 15221 B13R0.54 CCOCCOCCSCCC(=O)C 62a_100000053229_100011211534 [0,2,0,0,0,0|2,0,0]=4 15222 B13R0.54 CCOCCOCCSCCC(=O)C 62a_100011211534_100000053229 [0,2,0,0,0,0|2,0,0]=4 15223 B13R0.54 CCOCCOCCSCCC(=O)N 62a_100000744528_100011211534 [0,2,0,0,0,0|2,0,0]=4 15224 B13R0.54 CCOCCOCCSCCC(=O)N 62a_100011211534_100000744528 [0,2,0,0,0,0|2,0,0]=4 15225 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100000210147_100009817443 [0,2,0,0,0,0|1,0,0]=3 15226 B13R0.54 CCOCCSCCCCCC(=O)N 62a_100009817443_100011215890 [0,2,0,0,0,0|1,0,0]=3 15227 B13R0.54 CCOCCSCCCCOC(=O)C 62a_100000033659_100011215890 [0,2,0,0,0,0|2,0,0]=4 15228 B13R0.54 CCOCCSCCCCOC(=O)C 62a_100000210147_100000033659 [0,2,0,0,0,0|2,0,0]=4 15229 B13R0.54 CCOCCSCCCCSC(=O)C 62a_100000210147_200010402107 [0,2,0,0,0,0|2,0,0]=4 15230 B13R0.54 CCOCCSCCCCSC(=O)C 62a_200010402107_100011215890 [0,2,0,0,0,0|2,0,0]=4 15231 B13R0.54 CCOCSCCCCCOC(=O)C 62a_100000033007_100000739092 [0,2,0,0,0,0|2,0,0]=4 15232 B13R0.54 CCOCSCCCCCOC(=O)C 62a_100000739092_100000033007 [0,2,0,0,0,0|2,0,0]=4 15233 B13R0.54 CCSCCCOCCCCC(=O)C 34a_100011216438_100009817362 [0,2,0,0,0,0|1,0,0]=3 15234 B13R0.54 CCSCCCOCCCCC(=O)C 7a_100011216438_100000735457 [0,2,0,0,0,0|1,0,0]=3 15235 B13R0.54 CCSCCCOCCCOC(=O)C 34a_100011216438_100000042594 [0,2,0,0,0,0|2,0,0]=4 15236 B13R0.54 CCSCCCOCCCOC(=O)C 7a_100011216438_100000042594 [0,2,0,0,0,0|2,0,0]=4 15237 B13R0.54 CCSCCCOCCCSC(=O)C 34a_100011216438_100000038929 [0,2,0,0,0,0|2,0,0]=4 15238 B13R0.54 CCSCCCOCCCSC(=O)C 7a_100011216438_100000038929 [0,2,0,0,0,0|2,0,0]=4 15239 B13R0.54 CCSCCCOCCOCC(=O)N 34a_100011216438_100000076697 [0,2,0,0,0,0|2,0,0]=4 15240 B13R0.54 CCSCCCOCCOCC(=O)N 7a_100011216438_100000076697 [0,2,0,0,0,0|2,0,0]=4 15241 B13R0.54 CCSCCNCCCCCC(=O)N 2230a_100000106463_100009817443 [0,2,0,0,0,0|1,0,0]=3 15242 B13R0.54 CCSCCNCCCCNC(=O)C 2230a_200011368371_100000757381 [0,2,0,0,0,0|2,0,0]=4 15243 B13R0.54 CCSCCNCCCCNC(=O)C 34a_200011368371_100000757381 [0,2,0,0,0,0|2,0,0]=4 15244 B13R0.54 CCSCCNCCCCSC(=O)C 2230a_100000106463_200010402107 [0,2,0,0,0,0|2,0,0]=4 15245 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000123541_100000757381 [0,2,0,0,0,0|1,0,0]=3 15246 B13R0.54 CCSCCOCCCCCC(=O)N 34a_100000212035_100009817443 [0,2,0,0,0,0|1,0,0]=3 15247 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000123541_100000757381 [0,2,0,0,0,0|1,0,0]=3 15248 B13R0.54 CCSCCOCCCCCC(=O)N 7a_100000212035_100009817443 [0,2,0,0,0,0|1,0,0]=3 15249 B13R0.54 CCSCCOCCCCCC(=O)[O-] 7a_100102619762_100000757381 [0,2,0,0,0,0|1,0,0]=3 15250 B13R0.54 CCSCCOCCCCOC(=O)C 34a_100000073216_100000757381 [0,2,0,0,0,0|2,0,0]=4 15251 B13R0.54 CCSCCOCCCCOC(=O)C 34a_100000212035_100000033659 [0,2,0,0,0,0|2,0,0]=4 15252 B13R0.54 CCSCCOCCCCOC(=O)C 7a_100000073216_100000757381 [0,2,0,0,0,0|2,0,0]=4 15253 B13R0.54 CCSCCOCCCCOC(=O)C 7a_100000212035_100000033659 [0,2,0,0,0,0|2,0,0]=4 15254 B13R0.54 CCSCCOCCCCSC(=O)C 34a_100000212035_200010402107 [0,2,0,0,0,0|2,0,0]=4 15255 B13R0.54 CCSCCOCCCCSC(=O)C 7a_100000212035_200010402107 [0,2,0,0,0,0|2,0,0]=4 15256 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100000757381_100009817443 [0,2,0,0,0,0|1,0,0]=3 15257 B13R0.54 CCSCCSCCCCCC(=O)N 62a_100009817443_100000757381 [0,2,0,0,0,0|1,0,0]=3 15258 B13R0.54 CCSCCSCCCCOC(=O)C 62a_100000033659_100000757381 [0,2,0,0,0,0|2,0,0]=4 15259 B13R0.54 CCSCCSCCCCOC(=O)C 62a_100000757381_100000033659 [0,2,0,0,0,0|2,0,0]=4 15260 B13R0.54 CCSCCSCCCCSC(=O)C 62a_100000757381_200010402107 [0,2,0,0,0,0|2,0,0]=4 15261 B13R0.54 CCSCCSCCCCSC(=O)C 62a_200010402107_100000757381 [0,2,0,0,0,0|2,0,0]=4 15262 B13R0.54 CN(C)CCCCCCCCCCO 2230a_100102631434_100009813290 [0,2,0,0,0,0|0,0,2]=4 15263 B13R0.54 CN(C)CCCCCCCCCCO 269982a_100102631434_100009813290 [0,2,0,0,0,0|0,0,2]=4 15264 B13R0.54 CN(C)CCCCSCCCCC=O 62a_100000139335_100000690147 [0,2,0,0,0,0|1,0,0]=3 15265 B13R0.54 CN(C)CCCSCCCCCC=O 62a_100000139337_100000757444 [0,2,0,0,0,0|1,0,0]=3 15266 B13R0.54 CNCCCCCOCCCC(=O)C 34a_100000722520_100000685027 [0,2,0,0,0,0|1,0,0]=3 15267 B13R0.54 CNCCCCCOCCCC(=O)N 34a_100000722520_100102525003 [0,2,0,0,0,0|1,0,0]=3 15268 B13R0.54 CNCCCCCOCCCC(C)C 34a_100000722520_100011214892 [0,2,0,0,0,0|2,0,0]=4 15269 B13R0.54 CNCCCCCOCCCC(C)O 34a_100000722520_200000718107 [0,2,0,0,0,0|2,0,0]=4 15270 B13R0.54 CNCCCCCOCCOC(=O)C 34a_100000722520_100009814007 [0,2,0,0,0,0|2,0,0]=4 15271 B13R0.54 CNCCCCCOCCOC(=O)N 34a_100000722520_200011214921 [0,2,0,0,0,0|2,0,0]=4 15272 B13R0.54 CNCCCOCCCCCC(=O)N 34a_100000213112_100009817443 [0,2,0,0,0,0|1,0,0]=3 15273 B13R0.54 CNCCCOCCCCCC(C)C 34a_100000213112_100000210682 [0,2,0,0,0,0|2,0,0]=4 15274 B13R0.54 CNCCCOCCCCOC(=O)C 34a_100000213112_100000033659 [0,2,0,0,0,0|2,0,0]=4 15275 B13R0.54 CNCCCOCCCCSC(=O)C 34a_100000213112_200010402107 [0,2,0,0,0,0|2,0,0]=4 15276 B13R0.54 CNCCOCCOCCCC(=O)C 34a_100000228057_100000685027 [0,2,0,0,0,0|2,0,0]=4 15277 B13R0.54 CNCCOCCOCCCC(=O)N 34a_100000228057_100102525003 [0,2,0,0,0,0|2,0,0]=4 15278 B13R0.54 COCCCCCCNCCC(C)O 2230a_200000755665_100011998445 [0,2,0,0,0,0|2,0,0]=4 15279 B13R0.54 COCCCCCCNOCC(=O)O 269956a_100000106656_100011998445 [0,2,0,0,0,0|2,0,0]=4 15280 B13R0.54 COCCCCCCOCCC(=O)C 34a_100000759926_100011998445 [0,2,0,0,0,0|1,0,0]=3 15281 B13R0.54 COCCCCCCOCCC(=O)C 7a_100000759926_100011998445 [0,2,0,0,0,0|1,0,0]=3 15282 B13R0.54 COCCCCCCOCCC(=O)C 7a_200012092642_100000053229 [0,2,0,0,0,0|1,0,0]=3 15283 B13R0.54 COCCCCCCOCCC(=O)N 34a_100000757172_100011998445 [0,2,0,0,0,0|1,0,0]=3 15284 B13R0.54 COCCCCCCOCCC(=O)N 34a_200012092642_100000731001 [0,2,0,0,0,0|1,0,0]=3 15285 B13R0.54 COCCCCCCOCCC(=O)N 7a_100000757172_100011998445 [0,2,0,0,0,0|1,0,0]=3 15286 B13R0.54 COCCCCCCOCCC(=O)N 7a_200012092642_100000744528 [0,2,0,0,0,0|1,0,0]=3 15287 B13R0.54 COCCCCCCOCCC(C)Br 34a_100009893172_100011998445 [0,2,0,0,0,0|2,0,0]=4 15288 B13R0.54 COCCCCCCOCCC(C)C 34a_100000210254_100011998445 [0,2,0,0,0,0|2,0,0]=4 15289 B13R0.54 COCCCCCCOCCC(C)C 34a_200012092642_100000210312 [0,2,0,0,0,0|2,0,0]=4 15290 B13R0.54 COCCCCCCOCCC(C)C 7a_100000210254_100011998445 [0,2,0,0,0,0|2,0,0]=4 15291 B13R0.54 COCCCCCCOCCC(C)C 7a_200012092642_100000210626 [0,2,0,0,0,0|2,0,0]=4 15292 B13R0.54 COCCCCCCOCCC(C)O 34a_200012092642_100012276601 [0,2,0,0,0,0|2,0,0]=4 15293 B13R0.54 COCCCCCCOCCC(C)O 7a_200012092642_100012276601 [0,2,0,0,0,0|2,0,0]=4 15294 B13R0.54 COCCCCCCOCC[C@@H](C)N 34a_100000706166_100011998445 [0,2,0,0,0,0|2,0,0]=4 15295 B13R0.54 COCCCCCCOCOC(=O)C 34a_200012092642_100009813279 [0,2,0,0,0,0|2,0,0]=4 15296 B13R0.54 COCCCCCCSCCC(=O)C 62a_100000053229_100011998445 [0,2,0,0,0,0|1,0,0]=3 15297 B13R0.54 COCCCCCCSCCC(=O)C 62a_100011998445_100000053229 [0,2,0,0,0,0|1,0,0]=3 15298 B13R0.54 COCCCCCCSCCC(=O)N 62a_100000744528_100011998445 [0,2,0,0,0,0|1,0,0]=3 15299 B13R0.54 COCCCCCCSCCC(=O)N 62a_100011998445_100000744528 [0,2,0,0,0,0|1,0,0]=3 15300 B13R0.54 COCCCCCCSCCC(C)C 62a_100000210312_100011998445 [0,2,0,0,0,0|2,0,0]=4 15301 B13R0.54 COCCCCCCSCCC(C)C 62a_100011998445_100000210312 [0,2,0,0,0,0|2,0,0]=4 15302 B13R0.54 COCCCCCCSCCC(C)O 62a_100011998445_100012276601 [0,2,0,0,0,0|2,0,0]=4 15303 B13R0.54 COCCCCCCSCCC(C)O 62a_100012276601_100011998445 [0,2,0,0,0,0|2,0,0]=4 15304 B13R0.54 COCCCCCCSCOC(=O)C 62a_100000076356_100011998445 [0,2,0,0,0,0|2,0,0]=4 15305 B13R0.54 COCCCCCCSCOC(=O)C 62a_100011998445_100000076356 [0,2,0,0,0,0|2,0,0]=4 15306 B13R0.54 COCCCCCNCCCC(=O)C 34a_100000747528_100000685027 [0,2,0,0,0,0|1,0,0]=3 15307 B13R0.54 COCCCCCNCCCC(=O)N 34a_100000747528_100102525003 [0,2,0,0,0,0|1,0,0]=3 15308 B13R0.54 COCCCCCNCCCC(C)C 2230a_100000747528_100011214892 [0,2,0,0,0,0|2,0,0]=4 15309 B13R0.54 COCCCCCNCCCC(C)C 34a_100000747528_100011214892 [0,2,0,0,0,0|2,0,0]=4 15310 B13R0.54 COCCCCCNCCCC(C)O 2230a_100000747528_200000718107 [0,2,0,0,0,0|2,0,0]=4 15311 B13R0.54 COCCCCCNCCCC(C)O 34a_100000747528_200000718107 [0,2,0,0,0,0|2,0,0]=4 15312 B13R0.54 COCCCCCNCCNC(=O)C 2230a_100000747528_100000189650 [0,2,0,0,0,0|2,0,0]=4 15313 B13R0.54 COCCCCCNCCNC(=O)N 2230a_100000747528_200000034859 [0,2,0,0,0,0|2,0,0]=4 15314 B13R0.54 COCCCCCNCCOC(=O)C 34a_100000747528_100009814007 [0,2,0,0,0,0|2,0,0]=4 15315 B13R0.54 COCCCCCNCCOC(=O)N 34a_100000747528_200011214921 [0,2,0,0,0,0|2,0,0]=4 15316 B13R0.54 COCCCCNCCCCC(=O)N 34a_100000696515_100000755781 [0,2,0,0,0,0|1,0,0]=3 15317 B13R0.54 COCCCCNCCCNC(=O)C 34a_100000736810_100000755781 [0,2,0,0,0,0|2,0,0]=4 15318 B13R0.54 COCCCCNCCOCC(=O)O 269956a_100000700818_100000730899 [0,2,0,0,0,0|2,0,0]=4 15319 B13R0.54 COCCCCOCCCCC(=O)C 34a_100000740925_100009817362 [0,2,0,0,0,0|1,0,0]=3 15320 B13R0.54 COCCCCOCCCCC(=O)N 34a_100012022536_100000755781 [0,2,0,0,0,0|1,0,0]=3 15321 B13R0.54 COCCCCOCCCCC(=O)N 7a_100012022536_100000730899 [0,2,0,0,0,0|1,0,0]=3 15322 B13R0.54 COCCCCOCCCCC(C)C 34a_100000740925_100011216152 [0,2,0,0,0,0|2,0,0]=4 15323 B13R0.54 COCCCCOCCCCC(C)C 34a_100011214890_100000755781 [0,2,0,0,0,0|2,0,0]=4 15324 B13R0.54 COCCCCOCCCCC(C)C 7a_100011214890_100000730899 [0,2,0,0,0,0|2,0,0]=4 15325 B13R0.54 COCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000755781 [0,2,0,0,0,0|2,0,0]=4 15326 B13R0.54 COCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000730899 [0,2,0,0,0,0|2,0,0]=4 15327 B13R0.54 COCCCCOCCCNC(=O)C 34a_100000752032_100000755781 [0,2,0,0,0,0|2,0,0]=4 15328 B13R0.54 COCCCCOCCCOC(=O)C 34a_100000740925_100000042594 [0,2,0,0,0,0|2,0,0]=4 15329 B13R0.54 COCCCCOCCCSC(=O)C 34a_100000740925_100000038929 [0,2,0,0,0,0|2,0,0]=4 15330 B13R0.54 COCCCCOCCOCC(=O)N 34a_100000740925_100000076697 [0,2,0,0,0,0|2,0,0]=4 15331 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000730899_100000735457 [0,2,0,0,0,0|1,0,0]=3 15332 B13R0.54 COCCCCSCCCCC(=O)C 62a_100000735457_100000730899 [0,2,0,0,0,0|1,0,0]=3 15333 B13R0.54 COCCCCSCCCCC(C)C 62a_100000730899_100011216152 [0,2,0,0,0,0|2,0,0]=4 15334 B13R0.54 COCCCCSCCCCC(C)C 62a_100011216152_100000730899 [0,2,0,0,0,0|2,0,0]=4 15335 B13R0.54 COCCCCSCCCOC(=O)C 62a_100000042594_100000730899 [0,2,0,0,0,0|2,0,0]=4 15336 B13R0.54 COCCCCSCCCOC(=O)C 62a_100000730899_100000042594 [0,2,0,0,0,0|2,0,0]=4 15337 B13R0.54 COCCCCSCCCSC(=O)C 62a_100000038929_100000730899 [0,2,0,0,0,0|2,0,0]=4 15338 B13R0.54 COCCCCSCCCSC(=O)C 62a_100000730899_100000038929 [0,2,0,0,0,0|2,0,0]=4 15339 B13R0.54 COCCCCSCCOCC(=O)N 62a_100000076697_100000730899 [0,2,0,0,0,0|2,0,0]=4 15340 B13R0.54 COCCCCSCCOCC(=O)N 62a_100000730899_100000076697 [0,2,0,0,0,0|2,0,0]=4 15341 B13R0.54 COCCCNCCCCCC(=O)N 34a_100150723488_100009817443 [0,2,0,0,0,0|1,0,0]=3 15342 B13R0.54 COCCCNCCCCCC(C)C 2230a_100011290863_100000740836 [0,2,0,0,0,0|2,0,0]=4 15343 B13R0.54 COCCCNCCCCCC(C)C 34a_100011290863_100000740836 [0,2,0,0,0,0|2,0,0]=4 15344 B13R0.54 COCCCNCCCCCC(C)C 34a_100150723488_100000210682 [0,2,0,0,0,0|2,0,0]=4 15345 B13R0.54 COCCCNCCCCNC(=O)C 2230a_200011368371_100000740836 [0,2,0,0,0,0|2,0,0]=4 15346 B13R0.54 COCCCNCCCCNC(=O)C 34a_200011368371_100000740836 [0,2,0,0,0,0|2,0,0]=4 15347 B13R0.54 COCCCNCCCCOC(=O)C 34a_100150723488_100000033659 [0,2,0,0,0,0|2,0,0]=4 15348 B13R0.54 COCCCNCCCCSC(=O)C 34a_100150723488_200010402107 [0,2,0,0,0,0|2,0,0]=4 15349 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000123541_100000740836 [0,2,0,0,0,0|1,0,0]=3 15350 B13R0.54 COCCCOCCCCCC(=O)N 34a_100000740835_100009817443 [0,2,0,0,0,0|1,0,0]=3 15351 B13R0.54 COCCCOCCCCCC(=O)N 7a_100000123541_100000740836 [0,2,0,0,0,0|1,0,0]=3 15352 B13R0.54 COCCCOCCCCCC(=O)[O-] 7a_100102619762_100000740836 [0,2,0,0,0,0|1,0,0]=3 15353 B13R0.54 COCCCOCCCCCC(C)C 34a_100000740835_100000210682 [0,2,0,0,0,0|2,0,0]=4 15354 B13R0.54 COCCCOCCCCCC(C)C 34a_100011995859_100000740836 [0,2,0,0,0,0|2,0,0]=4 15355 B13R0.54 COCCCOCCCCCC(C)C 7a_100011995859_100000740836 [0,2,0,0,0,0|2,0,0]=4 15356 B13R0.54 COCCCOCCCCOC(=O)C 34a_100000073216_100000740836 [0,2,0,0,0,0|2,0,0]=4 15357 B13R0.54 COCCCOCCCCOC(=O)C 34a_100000740835_100000033659 [0,2,0,0,0,0|2,0,0]=4 15358 B13R0.54 COCCCOCCCCOC(=O)C 7a_100000073216_100000740836 [0,2,0,0,0,0|2,0,0]=4 15359 B13R0.54 COCCCOCCCCSC(=O)C 34a_100000740835_200010402107 [0,2,0,0,0,0|2,0,0]=4 15360 B13R0.54 COCCCOCCCOCC(=O)N 34a_200011215475_100000187820 [0,2,0,0,0,0|2,0,0]=4 15361 B13R0.54 COCCCOCCCOCC(=O)N 7a_200011215475_100000187820 [0,2,0,0,0,0|2,0,0]=4 15362 B13R0.54 COCCCOCCCOCC(=O)[O-] 34a_200011215475_100020667443 [0,2,0,0,0,0|2,0,0]=4 15363 B13R0.54 COCCCSCCCCCC(=O)N 62a_100000709357_100009817443 [0,2,0,0,0,0|1,0,0]=3 15364 B13R0.54 COCCCSCCCCCC(=O)N 62a_100009817443_100000709357 [0,2,0,0,0,0|1,0,0]=3 15365 B13R0.54 COCCCSCCCCCC(C)C 62a_100000210682_100000709357 [0,2,0,0,0,0|2,0,0]=4 15366 B13R0.54 COCCCSCCCCCC(C)C 62a_100000709357_100000210682 [0,2,0,0,0,0|2,0,0]=4 15367 B13R0.54 COCCCSCCCCOC(=O)C 62a_100000033659_100000709357 [0,2,0,0,0,0|2,0,0]=4 15368 B13R0.54 COCCCSCCCCOC(=O)C 62a_100000709357_100000033659 [0,2,0,0,0,0|2,0,0]=4 15369 B13R0.54 COCCCSCCCCSC(=O)C 62a_100000709357_200010402107 [0,2,0,0,0,0|2,0,0]=4 15370 B13R0.54 COCCCSCCCCSC(=O)C 62a_200010402107_100000709357 [0,2,0,0,0,0|2,0,0]=4 15371 B13R0.54 COCCNCCCCCCC(C)C 2230a_100000211014_100011201679 [0,2,0,0,0,0|2,0,0]=4 15372 B13R0.54 COCCNCCCCCCC(C)C 34a_100000211014_100011201679 [0,2,0,0,0,0|2,0,0]=4 15373 B13R0.54 COCCNCCCCCNC(=O)C 2230a_200012022750_100011201679 [0,2,0,0,0,0|2,0,0]=4 15374 B13R0.54 COCCNCCCCCNC(=O)C 34a_200012022750_100011201679 [0,2,0,0,0,0|2,0,0]=4 15375 B13R0.54 COCCNCCCCCOC(=O)C 2230a_100000209980_100009813381 [0,2,0,0,0,0|2,0,0]=4 15376 B13R0.54 COCCOCCCCCOC(=O)C 34a_100000210237_100000033007 [0,2,0,0,0,0|2,0,0]=4 15377 B13R0.54 COCCOCCCNCCC(=O)N 2230a_100000206027_100000744528 [0,2,0,0,0,0|2,0,0]=4 15378 B13R0.54 COCCOCCCNCCC(=O)N 34a_100000206027_100000731001 [0,2,0,0,0,0|2,0,0]=4 15379 B13R0.54 COCCOCCCOCCC(=O)C 34a_100000759926_100011216529 [0,2,0,0,0,0|2,0,0]=4 15380 B13R0.54 COCCOCCCOCCC(=O)C 7a_100000759926_100011216529 [0,2,0,0,0,0|2,0,0]=4 15381 B13R0.54 COCCOCCCOCCC(=O)N 34a_100000757172_100011216529 [0,2,0,0,0,0|2,0,0]=4 15382 B13R0.54 COCCOCCCOCCC(=O)N 7a_100000757172_100011216529 [0,2,0,0,0,0|2,0,0]=4 15383 B13R0.54 COCCOCCCSCCC(=O)C 62a_100000053229_100011216529 [0,2,0,0,0,0|2,0,0]=4 15384 B13R0.54 COCCOCCCSCCC(=O)C 62a_100011216529_100000053229 [0,2,0,0,0,0|2,0,0]=4 15385 B13R0.54 COCCOCCCSCCC(=O)N 62a_100000744528_100011216529 [0,2,0,0,0,0|2,0,0]=4 15386 B13R0.54 COCCOCCCSCCC(=O)N 62a_100011216529_100000744528 [0,2,0,0,0,0|2,0,0]=4 15387 B13R0.54 COCCOCCNCCCC(=O)C 34a_100000745349_100000685027 [0,2,0,0,0,0|2,0,0]=4 15388 B13R0.54 COCCOCCNCCCC(=O)N 34a_100000739312_100000695917 [0,2,0,0,0,0|2,0,0]=4 15389 B13R0.54 COCCOCCNCCCC(=O)N 34a_100000745349_100102525003 [0,2,0,0,0,0|2,0,0]=4 15390 B13R0.54 COCCOCCOCCCC(=O)C 34a_100000759063_100000695917 [0,2,0,0,0,0|2,0,0]=4 15391 B13R0.54 COCCOCCOCCCC(=O)C 34a_100011215163_100000685027 [0,2,0,0,0,0|2,0,0]=4 15392 B13R0.54 COCCOCCOCCCC(=O)C 7a_100000759063_100000695917 [0,2,0,0,0,0|2,0,0]=4 15393 B13R0.54 COCCOCCOCCCC(=O)C 7a_100011215163_100011215641 [0,2,0,0,0,0|2,0,0]=4 15394 B13R0.54 COCCOCCOCCCC(=O)N 34a_100011215163_100102525003 [0,2,0,0,0,0|2,0,0]=4 15395 B13R0.54 COCCOCCOCCCC(=O)N 7a_100011215163_100102525003 [0,2,0,0,0,0|2,0,0]=4 15396 B13R0.54 COCCOCCSCCCC(=O)C 62a_100000695917_100011215641 [0,2,0,0,0,0|2,0,0]=4 15397 B13R0.54 COCCOCCSCCCC(=O)C 62a_100011215641_100000695917 [0,2,0,0,0,0|2,0,0]=4 15398 B13R0.54 COCCOCCSCCCC(=O)N 62a_100000695917_100102525003 [0,2,0,0,0,0|2,0,0]=4 15399 B13R0.54 COCCOCCSCCCC(=O)N 62a_100102525003_100000695917 [0,2,0,0,0,0|2,0,0]=4 15400 B13R0.54 COCCOCSCCCCC(=O)C 62a_100000231047_100000735457 [0,2,0,0,0,0|2,0,0]=4 15401 B13R0.54 COCCOCSCCCCC(=O)C 62a_100000735457_100000231047 [0,2,0,0,0,0|2,0,0]=4 15402 B13R0.54 COCCSCCCCCOC(=O)C 62a_100000033007_100000233755 [0,2,0,0,0,0|2,0,0]=4 15403 B13R0.54 COCCSCCCCCOC(=O)C 62a_100000233755_100000033007 [0,2,0,0,0,0|2,0,0]=4 15404 B13R0.54 COCNCCCCCCNC(=O)C 2230a_200011996284_100000766300 [0,2,0,0,0,0|2,0,0]=4 15405 B13R0.54 CS(=O)CCCNCCCCCC=O 2230a_200000753449_100000139337 [0,2,0,0,0,0|1,0,0]=3 15406 B13R0.54 CS(=O)CCCNCCCCCCF 2230a_200000753449_100015922095 [0,2,0,0,0,0|2,0,0]=4 15407 B13R0.54 CS(=O)CCCNCCCCCCO 2230a_200000753449_100000766143 [0,2,0,0,0,0|2,0,0]=4 15408 B13R0.54 CSCCCCOCCCCC(=O)C 34a_100011217163_100009817362 [0,2,0,0,0,0|1,0,0]=3 15409 B13R0.54 CSCCCCOCCCCC(=O)C 7a_100011217163_100000735457 [0,2,0,0,0,0|1,0,0]=3 15410 B13R0.54 CSCCCCOCCCCC(C)C 34a_100011217163_100011216152 [0,2,0,0,0,0|2,0,0]=4 15411 B13R0.54 CSCCCCOCCCCC(C)C 7a_100011217163_100011216152 [0,2,0,0,0,0|2,0,0]=4 15412 B13R0.54 CSCCCCOCCCOC(=O)C 34a_100011217163_100000042594 [0,2,0,0,0,0|2,0,0]=4 15413 B13R0.54 CSCCCCOCCCOC(=O)C 7a_100011217163_100000042594 [0,2,0,0,0,0|2,0,0]=4 15414 B13R0.54 CSCCCCOCCCSC(=O)C 34a_100011217163_100000038929 [0,2,0,0,0,0|2,0,0]=4 15415 B13R0.54 CSCCCCOCCCSC(=O)C 7a_100011217163_100000038929 [0,2,0,0,0,0|2,0,0]=4 15416 B13R0.54 CSCCCCOCCOCC(=O)N 34a_100011217163_100000076697 [0,2,0,0,0,0|2,0,0]=4 15417 B13R0.54 CSCCCCOCCOCC(=O)N 7a_100011217163_100000076697 [0,2,0,0,0,0|2,0,0]=4 15418 B13R0.54 CSCCCNCCCCCC(=O)N 2230a_100000749238_100009817443 [0,2,0,0,0,0|1,0,0]=3 15419 B13R0.54 CSCCCNCCCCCC(C)C 2230a_100000749238_100000210682 [0,2,0,0,0,0|2,0,0]=4 15420 B13R0.54 CSCCCNCCCCSC(=O)C 2230a_100000749238_200010402107 [0,2,0,0,0,0|2,0,0]=4 15421 B13R0.54 CSCCCOCCCCCC(=O)N 34a_100000690336_100009817443 [0,2,0,0,0,0|1,0,0]=3 15422 B13R0.54 CSCCCOCCCCCC(=O)N 7a_100000690336_100009817443 [0,2,0,0,0,0|1,0,0]=3 15423 B13R0.54 CSCCCOCCCCCC(C)C 34a_100000690336_100000210682 [0,2,0,0,0,0|2,0,0]=4 15424 B13R0.54 CSCCCOCCCCCC(C)C 7a_100000690336_100000210682 [0,2,0,0,0,0|2,0,0]=4 15425 B13R0.54 CSCCCOCCCCOC(=O)C 34a_100000690336_100000033659 [0,2,0,0,0,0|2,0,0]=4 15426 B13R0.54 CSCCCOCCCCOC(=O)C 7a_100000690336_100000033659 [0,2,0,0,0,0|2,0,0]=4 15427 B13R0.54 CSCCCOCCCCSC(=O)C 34a_100000690336_200010402107 [0,2,0,0,0,0|2,0,0]=4 15428 B13R0.54 CSCCCOCCCCSC(=O)C 7a_100000690336_200010402107 [0,2,0,0,0,0|2,0,0]=4 15429 B13R0.54 CSCCNCCCCCCC(C)C 2230a_100000211014_100000751147 [0,2,0,0,0,0|2,0,0]=4 15430 B13R0.54 CSCCNCCCCCCC(C)C 34a_100000211014_100000212216 [0,2,0,0,0,0|2,0,0]=4 15431 B13R0.54 CSCCNCCCCCNC(=O)C 2230a_200012022750_100000751147 [0,2,0,0,0,0|2,0,0]=4 15432 B13R0.54 CSCCNCCCCCNC(=O)C 34a_200012022750_100000212216 [0,2,0,0,0,0|2,0,0]=4 15433 B13R0.54 CSCCNCCCCCOC(=O)C 2230a_100020590264_100009813381 [0,2,0,0,0,0|2,0,0]=4 15434 B13R0.54 CSCCOCCCCCOC(=O)C 34a_100000230434_100000033007 [0,2,0,0,0,0|2,0,0]=4 15435 B13R0.54 CSCCOCCCCCOC(=O)C 7a_100000230434_100000033007 [0,2,0,0,0,0|2,0,0]=4 15436 B13R0.54 CSCCSCCCCCOC(=O)C 62a_100000033007_100000751147 [0,2,0,0,0,0|2,0,0]=4 15437 B13R0.54 CSCCSCCCCCOC(=O)C 62a_100000212216_100000033007 [0,2,0,0,0,0|2,0,0]=4 15438 B13R0.54 CSCNCCCCCCNC(=O)C 2230a_200011996284_100011218213 [0,2,0,0,0,0|2,0,0]=4 15439 B13R0.54 CSCNCCCCCCNC(=O)C 34a_200011996284_100011218213 [0,2,0,0,0,0|2,0,0]=4 15440 B13R0.54 CSCOCCCCCCCC(C)C 34a_200000210741_100011218213 [0,2,0,0,0,0|2,0,0]=4 15441 B13R0.54 C[C@@H](Cl)COCCCCCCCCO 34a_100016084084_100000033203 [0,2,0,0,0,0|0,0,2]=4 15442 B13R0.54 C[C@@H](N)CCOCCCCCCCO 34a_100000706166_100000760002 [0,2,0,0,0,0|0,0,2]=4 15443 B13R0.54 C[C@@H](N)COCCCCCCCCO 34a_100000737577_100000033203 [0,2,0,0,0,0|0,0,2]=4 15444 B13R0.54 C[C@@H](O)CNCCCCCCCCO 2230a_102515433106_100009817552 [0,2,0,0,0,0|0,0,2]=4 15445 B13R0.54 C[C@@H](O)CNCCCCCCCCO 34a_102515433106_100009817552 [0,2,0,0,0,0|0,0,2]=4 15446 B13R0.54 C[C@@H](O)COCCCCCCCCBr 34a_100009813846_100009817552 [0,2,0,0,0,0|1,0,1]=4 15447 B13R0.54 C[C@@H](O)COCCCCCCCCBr 7a_100009813846_100009817552 [0,2,0,0,0,0|1,0,1]=4 15448 B13R0.54 C[C@@H](O)COCCCCCCCCCl 34a_100000033203_100009817552 [0,2,0,0,0,0|1,0,1]=4 15449 B13R0.54 C[C@@H](O)COCCCCCCCCCl 7a_100000033203_100009817552 [0,2,0,0,0,0|1,0,1]=4 15450 B13R0.54 C[C@@H](O)COCCCCCCCCN 34a_102515433106_100009817552 [0,2,0,0,0,0|1,0,1]=4 15451 B13R0.54 C[C@@H](O)CSCCCCCCCCO 62a_100000033203_100009817552 [0,2,0,0,0,0|0,0,2]=4 15452 B13R0.54 C[C@@H](O)CSCCCCCCCCO 62a_100009817552_100000033203 [0,2,0,0,0,0|0,0,2]=4 15453 B13R0.54 N#CCCCCCCOCCC(=O)N 7a_100000757172_100009813337 [0,2,0,0,0,0|1,0,1]=4 15454 B13R0.54 N#CCCCCCCSCCC(=O)N 62a_100000744528_100009813337 [0,2,0,0,0,0|1,0,1]=4 15455 B13R0.54 N#CCCCCCCSCCC(=O)N 62a_100009813337_100000744528 [0,2,0,0,0,0|1,0,1]=4 15456 B13R0.54 N#CCCCCCSCCCC(=O)N 62a_100009813376_100102525003 [0,2,0,0,0,0|1,0,1]=4 15457 B13R0.54 N#CCCCCCSCCCC(=O)N 62a_100102525003_100009813376 [0,2,0,0,0,0|1,0,1]=4 15458 B13R0.54 N#CCCCCOCCCCC(=O)N 7a_100012022536_100000211819 [0,2,0,0,0,0|1,0,1]=4 15459 B13R0.54 N#CCCCOCCCCCC(=O)N 7a_100000123541_100000687738 [0,2,0,0,0,0|1,0,1]=4 15460 B13R0.54 N#CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000687738 [0,2,0,0,0,0|1,0,1]=4 15461 B13R0.54 N#CCCCSCCCCCC(=O)N 62a_100000687738_100009817443 [0,2,0,0,0,0|1,0,1]=4 15462 B13R0.54 N#CCCCSCCCCCC(=O)N 62a_100009817443_100000687738 [0,2,0,0,0,0|1,0,1]=4 15463 B13R0.54 NC(=O)CCCCCNCCCCO 2230a_100000750430_100009817443 [0,2,0,0,0,0|1,0,0]=3 15464 B13R0.54 NC(=O)CCCCCNCCCCO 34a_100000750430_100009817443 [0,2,0,0,0,0|1,0,0]=3 15465 B13R0.54 NC(=O)CCCCCOCCCC=O 7a_100000123541_200011292268 [0,2,0,0,0,0|1,0,1]=4 15466 B13R0.54 NC(=O)CCCCCOCCCCBr 34a_100011216708_100009817443 [0,2,0,0,0,0|1,0,0]=3 15467 B13R0.54 NC(=O)CCCCCOCCCCCl 34a_100000210776_100009817443 [0,2,0,0,0,0|1,0,0]=3 15468 B13R0.54 NC(=O)CCCCCOCCCCCl 7a_100000210776_100009817443 [0,2,0,0,0,0|1,0,0]=3 15469 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100000123541_100000729493 [0,2,0,0,0,0|1,0,0]=3 15470 B13R0.54 NC(=O)CCCCCOCCCCF 34a_100011995726_100009817443 [0,2,0,0,0,0|1,0,0]=3 15471 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100000123541_100000729493 [0,2,0,0,0,0|1,0,0]=3 15472 B13R0.54 NC(=O)CCCCCOCCCCF 7a_100011995726_100009817443 [0,2,0,0,0,0|1,0,0]=3 15473 B13R0.54 NC(=O)CCCCCOCCCCI 34a_200012148704_100009817443 [0,2,0,0,0,0|1,0,0]=3 15474 B13R0.54 NC(=O)CCCCCOCCCCO 34a_100000123541_100011216708 [0,2,0,0,0,0|1,0,0]=3 15475 B13R0.54 NC(=O)CCCCCOCCCCO 7a_100000123541_100000210776 [0,2,0,0,0,0|1,0,0]=3 15476 B13R0.54 NC(=O)CCCCCSCCCC=O 62a_100009817443_200011292268 [0,2,0,0,0,0|1,0,1]=4 15477 B13R0.54 NC(=O)CCCCCSCCCC=O 62a_200011292268_100009817443 [0,2,0,0,0,0|1,0,1]=4 15478 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100000729493_100009817443 [0,2,0,0,0,0|1,0,0]=3 15479 B13R0.54 NC(=O)CCCCCSCCCCF 62a_100009817443_100000729493 [0,2,0,0,0,0|1,0,0]=3 15480 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100000210776_100009817443 [0,2,0,0,0,0|1,0,0]=3 15481 B13R0.54 NC(=O)CCCCCSCCCCO 62a_100009817443_100000210776 [0,2,0,0,0,0|1,0,0]=3 15482 B13R0.54 NC(=O)CCCCNCCCCCF 34a_100000696515_100000729378 [0,2,0,0,0,0|1,0,0]=3 15483 B13R0.54 NC(=O)CCCCNCCCCCO 34a_100000696515_100000746330 [0,2,0,0,0,0|1,0,0]=3 15484 B13R0.54 NC(=O)CCCCNCCOCCO 34a_100000696515_100000692535 [0,2,0,0,0,0|2,0,0]=4 15485 B13R0.54 NC(=O)CCCCOCCCCC=O 7a_100012022536_100000139335 [0,2,0,0,0,0|1,0,1]=4 15486 B13R0.54 NC(=O)CCCCOCCCCCF 34a_100012022536_100000729378 [0,2,0,0,0,0|1,0,0]=3 15487 B13R0.54 NC(=O)CCCCOCCCCCF 7a_100012022536_100000729378 [0,2,0,0,0,0|1,0,0]=3 15488 B13R0.54 NC(=O)CCCCOCCCCCO 34a_100012022536_100000746330 [0,2,0,0,0,0|1,0,0]=3 15489 B13R0.54 NC(=O)CCCCOCCCCCO 7a_100012022536_100000746330 [0,2,0,0,0,0|1,0,0]=3 15490 B13R0.54 NC(=O)CCCCOCCOCCO 34a_100012022536_100000692535 [0,2,0,0,0,0|2,0,0]=4 15491 B13R0.54 NC(=O)CCCCOCCOCCO 7a_100012022536_100011215305 [0,2,0,0,0,0|2,0,0]=4 15492 B13R0.54 NC(=O)CCCNCCCCCCF 34a_100000739312_100015922095 [0,2,0,0,0,0|1,0,0]=3 15493 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000686447_100102525003 [0,2,0,0,0,0|1,0,0]=3 15494 B13R0.54 NC(=O)CCCNCCCCCCO 34a_100000739312_100000766143 [0,2,0,0,0,0|1,0,0]=3 15495 B13R0.54 NC(=O)CCCOCCCCCCBr 34a_100011215345_100102525003 [0,2,0,0,0,0|1,0,0]=3 15496 B13R0.54 NC(=O)CCCOCCCCCCBr 7a_100011215345_100102525003 [0,2,0,0,0,0|1,0,0]=3 15497 B13R0.54 NC(=O)CCCOCCCCCCCl 34a_100000766143_100102525003 [0,2,0,0,0,0|1,0,0]=3 15498 B13R0.54 NC(=O)CCCOCCCCCCCl 7a_100000766143_100102525003 [0,2,0,0,0,0|1,0,0]=3 15499 B13R0.54 NC(=O)CCCOCCCCCCF 34a_100000732779_100102525003 [0,2,0,0,0,0|1,0,0]=3 15500 B13R0.54 NC(=O)CCCOCCCCCCF 7a_100000732779_100102525003 [0,2,0,0,0,0|1,0,0]=3 15501 B13R0.54 NC(=O)CCCSCCCCCC=O 62a_100000139337_100102525003 [0,2,0,0,0,0|1,0,1]=4 15502 B13R0.54 NC(=O)CCCSCCCCCC=O 62a_100102525003_100000139337 [0,2,0,0,0,0|1,0,1]=4 15503 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100015922095_100102525003 [0,2,0,0,0,0|1,0,0]=3 15504 B13R0.54 NC(=O)CCCSCCCCCCF 62a_100102525003_100015922095 [0,2,0,0,0,0|1,0,0]=3 15505 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100000766143_100102525003 [0,2,0,0,0,0|1,0,0]=3 15506 B13R0.54 NC(=O)CCCSCCCCCCO 62a_100102525003_100000766143 [0,2,0,0,0,0|1,0,0]=3 15507 B13R0.54 NC(=O)CCNCCCCCCCO 2230a_100011996573_100000744528 [0,2,0,0,0,0|1,0,0]=3 15508 B13R0.54 NC(=O)CCNCCCCCCCO 34a_100011996573_100000731001 [0,2,0,0,0,0|1,0,0]=3 15509 B13R0.54 NC(=O)CCNCCCOCCCO 2230a_100011310245_100000744528 [0,2,0,0,0,0|2,0,0]=4 15510 B13R0.54 NC(=O)CCNCCCOCCCO 34a_100011310245_100000731001 [0,2,0,0,0,0|2,0,0]=4 15511 B13R0.54 NC(=O)CCOCCCCCCCBr 34a_100000760002_100000731001 [0,2,0,0,0,0|1,0,0]=3 15512 B13R0.54 NC(=O)CCOCCCCCCCBr 7a_100000760002_100000744528 [0,2,0,0,0,0|1,0,0]=3 15513 B13R0.54 NC(=O)CCOCCCCCCCO 34a_100000757172_100000760002 [0,2,0,0,0,0|1,0,0]=3 15514 B13R0.54 NC(=O)CCOCCCCCCCO 7a_100000757172_100000760002 [0,2,0,0,0,0|1,0,0]=3 15515 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000744528_100000760002 [0,2,0,0,0,0|1,0,0]=3 15516 B13R0.54 NC(=O)CCSCCCCCCCO 62a_100000760002_100000744528 [0,2,0,0,0,0|1,0,0]=3 15517 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_100000711301_100000033203 [0,2,0,0,0,0|1,0,0]=3 15518 B13R0.54 NC(=O)CNCCCCCCCCO 2230a_102515433106_100000747473 [0,2,0,0,0,0|1,0,0]=3 15519 B13R0.54 NC(=O)CNCCCCCCCCO 34a_102515433106_100000187820 [0,2,0,0,0,0|1,0,0]=3 15520 B13R0.54 NC(=O)COCCCCCCCCBr 34a_100009813846_100000187820 [0,2,0,0,0,0|1,0,0]=3 15521 B13R0.54 NC(=O)COCCCCCCCCBr 7a_100009813846_100000187820 [0,2,0,0,0,0|1,0,0]=3 15522 B13R0.54 NC(=O)COCCCCCCCCCl 34a_100000033203_100000187820 [0,2,0,0,0,0|1,0,0]=3 15523 B13R0.54 NC(=O)COCCCCCCCCCl 7a_100000033203_100000187820 [0,2,0,0,0,0|1,0,0]=3 15524 B13R0.54 NC(=O)COCCNCCCCCO 2230a_100000762737_100000076697 [0,2,0,0,0,0|2,0,0]=4 15525 B13R0.54 NC(=O)COCCNCCCCCO 34a_100000762737_100000076697 [0,2,0,0,0,0|2,0,0]=4 15526 B13R0.54 NC(=O)COCCOCCCCCBr 34a_100000746331_100000076697 [0,2,0,0,0,0|2,0,0]=4 15527 B13R0.54 NC(=O)COCCOCCCCCBr 7a_100000746331_100000076697 [0,2,0,0,0,0|2,0,0]=4 15528 B13R0.54 NC(=O)COCCOCCCCCCl 34a_100000746330_100000076697 [0,2,0,0,0,0|2,0,0]=4 15529 B13R0.54 NC(=O)COCCOCCCCCCl 7a_100000746330_100000076697 [0,2,0,0,0,0|2,0,0]=4 15530 B13R0.54 NC(=O)COCCOCCCCCI 34a_200012148887_100000076697 [0,2,0,0,0,0|2,0,0]=4 15531 B13R0.54 NC(=O)COCCOCCCCCI 7a_200012148887_100000076697 [0,2,0,0,0,0|2,0,0]=4 15532 B13R0.54 NC(=O)COCCSCCCCCF 62a_100000076697_100000729378 [0,2,0,0,0,0|2,0,0]=4 15533 B13R0.54 NC(=O)COCCSCCCCCF 62a_100000729378_100000076697 [0,2,0,0,0,0|2,0,0]=4 15534 B13R0.54 NC(=O)COCCSCCCCCO 62a_100000076697_100000746330 [0,2,0,0,0,0|2,0,0]=4 15535 B13R0.54 NC(=O)COCCSCCCCCO 62a_100000746330_100000076697 [0,2,0,0,0,0|2,0,0]=4 15536 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000033203_100000747473 [0,2,0,0,0,0|1,0,0]=3 15537 B13R0.54 NC(=O)CSCCCCCCCCO 62a_100000747473_100000033203 [0,2,0,0,0,0|1,0,0]=3 15538 B13R0.54 NC(=O)NCCNCCCCCCF 34a_100020590234_100015922095 [0,2,0,0,0,0|2,0,0]=4 15539 B13R0.54 NC(=O)NCCNCCCCCCO 2230a_100000686447_200000034859 [0,2,0,0,0,0|2,0,0]=4 15540 B13R0.54 NC(=O)NCCNCCCCCCO 34a_100020590234_100000766143 [0,2,0,0,0,0|2,0,0]=4 15541 B13R0.54 NC(=O)NCCOCCCCCCBr 7a_100011215345_200000034859 [0,2,0,0,0,0|2,0,0]=4 15542 B13R0.54 NC(=O)NCCOCCCCCCCl 7a_100000766143_200000034859 [0,2,0,0,0,0|2,0,0]=4 15543 B13R0.54 NC(=O)NCCOCCCCCCF 34a_100000181757_100015922095 [0,2,0,0,0,0|2,0,0]=4 15544 B13R0.54 NC(=O)NCCOCCCCCCF 7a_100000732779_200000034859 [0,2,0,0,0,0|2,0,0]=4 15545 B13R0.54 NC(=O)NCCOCCCCCCO 34a_100000181757_100000766143 [0,2,0,0,0,0|2,0,0]=4 15546 B13R0.54 NC(=O)NCCSCCCCCCF 62a_100015922095_200000034859 [0,2,0,0,0,0|2,0,0]=4 15547 B13R0.54 NC(=O)NCCSCCCCCCF 62a_200000034859_100015922095 [0,2,0,0,0,0|2,0,0]=4 15548 B13R0.54 NC(=O)NCCSCCCCCCO 62a_100000766143_200000034859 [0,2,0,0,0,0|2,0,0]=4 15549 B13R0.54 NC(=O)NCCSCCCCCCO 62a_200000034859_100000766143 [0,2,0,0,0,0|2,0,0]=4 15550 B13R0.54 NC(=O)OCCNCCCCCCO 34a_100000686447_200011214921 [0,2,0,0,0,0|2,0,0]=4 15551 B13R0.54 NC(=O)OCCOCCCCCCBr 34a_100011215345_200011214921 [0,2,0,0,0,0|2,0,0]=4 15552 B13R0.54 NC(=O)OCCOCCCCCCBr 7a_100011215345_200011214921 [0,2,0,0,0,0|2,0,0]=4 15553 B13R0.54 NC(=O)OCCOCCCCCCCl 34a_100000766143_200011214921 [0,2,0,0,0,0|2,0,0]=4 15554 B13R0.54 NC(=O)OCCOCCCCCCCl 7a_100000766143_200011214921 [0,2,0,0,0,0|2,0,0]=4 15555 B13R0.54 NC(=O)OCCOCCCCCCF 34a_100000732779_200011214921 [0,2,0,0,0,0|2,0,0]=4 15556 B13R0.54 NC(=O)OCCOCCCCCCF 7a_100000732779_200011214921 [0,2,0,0,0,0|2,0,0]=4 15557 B13R0.54 NC(=O)OCCOCCCCCCF 7a_100000766696_100015922095 [0,2,0,0,0,0|2,0,0]=4 15558 B13R0.54 NC(=O)OCCOCCCCCCO 7a_100000766696_100000766143 [0,2,0,0,0,0|2,0,0]=4 15559 B13R0.54 NC(=O)OCCSCCCCCCF 62a_100015922095_200011214921 [0,2,0,0,0,0|2,0,0]=4 15560 B13R0.54 NC(=O)OCCSCCCCCCF 62a_200011214921_100015922095 [0,2,0,0,0,0|2,0,0]=4 15561 B13R0.54 NC(=O)OCCSCCCCCCO 62a_100000766143_200011214921 [0,2,0,0,0,0|2,0,0]=4 15562 B13R0.54 NC(=O)OCCSCCCCCCO 62a_200011214921_100000766143 [0,2,0,0,0,0|2,0,0]=4 15563 B13R0.54 NCCCCCCCCOCC(=O)N 34a_102515433106_100000187820 [0,2,0,0,0,0|1,0,0]=3 15564 B13R0.54 NCCCCCCCCOCC(=O)[O-] 34a_102515433106_100020667443 [0,2,0,0,0,0|1,0,0]=3 15565 B13R0.54 NCCCCCCCCOC[N+](=O)[O-] 34a_102515433106_100000761209 [0,2,0,0,0,0|2,0,0]=4 15566 B13R0.54 NCCCCCCCOCCC(=O)N 34a_100011996573_100000731001 [0,2,0,0,0,0|1,0,0]=3 15567 B13R0.54 NCCCCCCOCCCC(=O)N 34a_100000686447_100102525003 [0,2,0,0,0,0|1,0,0]=3 15568 B13R0.54 NCCCCCCOCCOC(=O)N 34a_100000686447_200011214921 [0,2,0,0,0,0|2,0,0]=4 15569 B13R0.54 NCCCCCOCCOCC(=O)N 34a_100000762737_100000076697 [0,2,0,0,0,0|2,0,0]=4 15570 B13R0.54 NCCCCOCCCCCC(=O)N 34a_100000750430_100009817443 [0,2,0,0,0,0|1,0,0]=3 15571 B13R0.54 NCCCOCCCOCCC(=O)N 34a_100011310245_100000731001 [0,2,0,0,0,0|2,0,0]=4 15572 B13R0.54 NCCNCCCCCOCC(=O)N 34a_103619048469_100000187820 [0,2,0,0,0,0|2,0,0]=4 15573 B13R0.54 NCCNCCCCCOCC(=O)[O-] 34a_103619048469_100020667443 [0,2,0,0,0,0|2,0,0]=4 15574 B13R0.54 O=C(O)CNCCCCCCCCO 269956a_100016091260_100000033203 [0,2,0,0,0,0|1,0,0]=3 15575 B13R0.54 O=C(O)COCCNCCCCCF 269956a_100000700818_100000729378 [0,2,0,0,0,0|2,0,0]=4 15576 B13R0.54 O=C(O)COCCNCCCCCO 269956a_100000700818_100000746330 [0,2,0,0,0,0|2,0,0]=4 15577 B13R0.54 O=C(O)CONCCCCCCCO 269956a_100000106656_100000760002 [0,2,0,0,0,0|2,0,0]=4 15578 B13R0.54 O=C([O-])CCCCCOCCCCF 7a_100102619762_100000729493 [0,2,0,0,0,0|1,0,0]=3 15579 B13R0.54 O=C([O-])CCCCCOCCCCO 7a_100102619762_100000210776 [0,2,0,0,0,0|1,0,0]=3 15580 B13R0.54 O=C([O-])CNCCCCCCCCO 34a_102515433106_100020667443 [0,2,0,0,0,0|1,0,0]=3 15581 B13R0.54 O=C([O-])COCCCCCCCCBr 34a_100009813846_100020667443 [0,2,0,0,0,0|1,0,0]=3 15582 B13R0.54 O=C([O-])COCCCCCCCCCl 34a_100000033203_100020667443 [0,2,0,0,0,0|1,0,0]=3 15583 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100000033203_100020667443 [0,2,0,0,0,0|1,0,0]=3 15584 B13R0.54 O=C([O-])CSCCCCCCCCO 62a_100020667443_100000033203 [0,2,0,0,0,0|1,0,0]=3 15585 B13R0.54 O=CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000139335 [0,2,0,0,0,0|2,0,0]=4 15586 B13R0.54 O=CCCCCOCCOCC(F)F 7a_100000704375_100000139335 [0,2,0,0,0,0|2,0,0]=4 15587 B13R0.54 O=CCCCCSCCCCB(O)O 62a_100000139335_200009817182 [0,2,0,0,0,0|2,0,0]=4 15588 B13R0.54 O=CCCCCSCCCCB(O)O 62a_200009817182_100000139335 [0,2,0,0,0,0|2,0,0]=4 15589 B13R0.54 O=CCCCCSCCOCC(F)F 62a_100000139335_200012177212 [0,2,0,0,0,0|2,0,0]=4 15590 B13R0.54 O=CCCCCSCCOCC(F)F 62a_200012177212_100000139335 [0,2,0,0,0,0|2,0,0]=4 15591 B13R0.54 O=CCCCOCCCCCC(=O)[O-] 7a_100102619762_200011292268 [0,2,0,0,0,0|1,0,1]=4 15592 B13R0.54 O=CCCCSCCCCCB(O)O 62a_200009817188_200011292268 [0,2,0,0,0,0|2,0,0]=4 15593 B13R0.54 O=CCCCSCCCCCB(O)O 62a_200011292268_200009817188 [0,2,0,0,0,0|2,0,0]=4 15594 B13R0.54 O=[N+]([O-])CCCCOCCCCCF 34a_200015379883_100000729378 [0,2,0,0,0,0|2,0,0]=4 15595 B13R0.54 O=[N+]([O-])CCCCOCCCCCF 7a_200015379883_100000729378 [0,2,0,0,0,0|2,0,0]=4 15596 B13R0.54 O=[N+]([O-])CCCCOCCCCCO 34a_200015379883_100000746330 [0,2,0,0,0,0|2,0,0]=4 15597 B13R0.54 O=[N+]([O-])CCCCOCCCCCO 7a_200015379883_100000746330 [0,2,0,0,0,0|2,0,0]=4 15598 B13R0.54 O=[N+]([O-])CCCOCCCCCCF 34a_200000037920_100015922095 [0,2,0,0,0,0|2,0,0]=4 15599 B13R0.54 O=[N+]([O-])CCCOCCCCCCO 34a_200000037920_100000766143 [0,2,0,0,0,0|2,0,0]=4 15600 B13R0.54 O=[N+]([O-])CNCCCCCCCCO 34a_102515433106_100000761209 [0,2,0,0,0,0|2,0,0]=4 15601 B13R0.54 O=[N+]([O-])COCCCCCCCCBr 34a_100009813846_100000761209 [0,2,0,0,0,0|2,0,0]=4 15602 B13R0.54 O=[N+]([O-])COCCCCCCCCCl 34a_100000033203_100000761209 [0,2,0,0,0,0|2,0,0]=4 15603 B13R0.54 O=[N+]([O-])CSCCCCCCCCO 62a_100000033203_100000761209 [0,2,0,0,0,0|2,0,0]=4 15604 B13R0.147 C#CC(=O)CCCCCCC#CCC 1458a_100000211873_200000036426 [0,2,0,0,0,0|0,0,2]=4 15605 B13R0.147 C#CC(=O)CCCCCCCCC=C 1458a_100000211873_100011933949 [0,2,0,0,0,0|0,0,2]=4 15606 B13R0.147 C#CC(=O)CCCCCCCCCC 1458a_100000211873_100000210319 [0,2,0,0,0,0|0,0,0]=2 15607 B13R0.147 C#CC(=O)CCCCCCCCCO 1458a_100000211873_100009813782 [0,2,0,0,0,0|1,0,0]=3 15608 B13R0.147 C#CC(C)NCCCCCCCC=C 2230a_100000707721_100012355270 [0,2,0,0,0,0|2,0,0]=4 15609 B13R0.147 C#CC(C)NCCCCCCCC=C 34a_100000707721_100012355270 [0,2,0,0,0,0|2,0,0]=4 15610 B13R0.147 C#CC(C)NCCCCCCCCC 2230a_100000707721_100011214924 [0,2,0,0,0,0|1,0,1]=4 15611 B13R0.147 C#CC(C)NCCCCCCCCC 34a_100000212291_200000035995 [0,2,0,0,0,0|1,0,1]=4 15612 B13R0.147 C#CC(C)NCCCCCCCCC 34a_100000707721_100011214924 [0,2,0,0,0,0|1,0,1]=4 15613 B13R0.147 C#CC(C)OCCCCCCCC=C 34a_100000730831_200000035995 [0,2,0,0,0,0|2,0,0]=4 15614 B13R0.147 C#CC(C)OCCCCCCCCC 34a_100000210712_200000035995 [0,2,0,0,0,0|1,0,1]=4 15615 B13R0.147 C#CC(C)SCCCCCCCC=C 62a_200000035995_100012355270 [0,2,0,0,0,0|2,0,0]=4 15616 B13R0.147 C#CC(C)SCCCCCCCCC 62a_200000035995_100000210670 [0,2,0,0,0,0|1,0,1]=4 15617 B13R0.147 C#CC(O)CCCCCNCCCC 2230a_100000102301_200010408556 [0,2,0,0,0,0|1,0,1]=4 15618 B13R0.147 C#CC(O)CCCCCNCCCC 7a_106832991798_200010408556 [0,2,0,0,0,0|1,0,1]=4 15619 B13R0.147 C#CC(O)CCCCCOCCCC 34a_100000210227_200010408556 [0,2,0,0,0,0|1,0,1]=4 15620 B13R0.147 C#CC(O)CCCCCOCCCC 7a_100000210227_200010408556 [0,2,0,0,0,0|1,0,1]=4 15621 B13R0.147 C#CC(O)CCCCCSCCCC 62a_100000210211_200010408556 [0,2,0,0,0,0|1,0,1]=4 15622 B13R0.147 C#CC(O)CCCCCSCCCC 62a_200010408556_100000210210 [0,2,0,0,0,0|1,0,1]=4 15623 B13R0.147 C#CCCCCCCCCC(=O)CC 1458a_100000029693_100000210202 [0,2,0,0,0,0|0,0,2]=4 15624 B13R0.147 C#CCCCCCCCCC(=O)CF 1458a_100000029693_100015361967 [0,2,0,0,0,0|0,0,2]=4 15625 B13R0.147 C#CCCCCCCCCC(=O)NC 11a_106832991635_100000029693 [0,2,0,0,0,0|0,0,2]=4 15626 B13R0.147 C#CCCCCCCCCC(=O)NC 1626a_100102657272_100000029693 [0,2,0,0,0,0|0,0,2]=4 15627 B13R0.147 C#CCCCCCCCCC(=O)NC 240690a_100102657272_100000029693 [0,2,0,0,0,0|0,0,2]=4 15628 B13R0.147 C#CCCCCCCCCC(=O)NC 527a_100102657272_100000029693 [0,2,0,0,0,0|0,0,2]=4 15629 B13R0.147 C#CCCCCCCCNC(C)CC 2230a_100000209981_100153394163 [0,2,0,0,0,0|1,0,1]=4 15630 B13R0.147 C#CCCCCCCCOC(C)CC 34a_100000054614_100011215416 [0,2,0,0,0,0|1,0,1]=4 15631 B13R0.147 C#CCCCCCCCOC(C)CC 7a_100000054614_100000758301 [0,2,0,0,0,0|1,0,1]=4 15632 B13R0.147 C#CCCCCCCCOC(C)CC 7a_100000210228_100153394163 [0,2,0,0,0,0|1,0,1]=4 15633 B13R0.147 C#CCCCCCCCSC(C)CC 62a_100000758301_100153394163 [0,2,0,0,0,0|1,0,1]=4 15634 B13R0.147 C#CCCCCCCCSC(C)CC 62a_100153394163_100000758301 [0,2,0,0,0,0|1,0,1]=4 15635 B13R0.147 C#CCCCCCCNCC(C)CC 2230a_100020588543_100012276617 [0,2,0,0,0,0|1,0,1]=4 15636 B13R0.147 C#CCCCCCCNCC(O)CC 2230a_100011218483_100012276617 [0,2,0,0,0,0|1,0,1]=4 15637 B13R0.147 C#CCCCCCCOCC(C)CC 34a_100011217361_100000748023 [0,2,0,0,0,0|1,0,1]=4 15638 B13R0.147 C#CCCCCCCOCC(C)CC 7a_100011217361_100000748023 [0,2,0,0,0,0|1,0,1]=4 15639 B13R0.147 C#CCCCCCCOCC(O)CC 34a_100011217361_100011218378 [0,2,0,0,0,0|1,0,1]=4 15640 B13R0.147 C#CCCCCCCOCC(O)CC 7a_100011217361_100011218378 [0,2,0,0,0,0|1,0,1]=4 15641 B13R0.147 C#CCCCCCCOC[C@@H](C)CC 34a_100011217361_100009816398 [0,2,0,0,0,0|1,0,1]=4 15642 B13R0.147 C#CCCCCCCOC[C@@H](C)CC 7a_100009816381_100012276617 [0,2,0,0,0,0|1,0,1]=4 15643 B13R0.147 C#CCCCCCCOC[C@@H](C)CC 7a_100011217361_100009816398 [0,2,0,0,0,0|1,0,1]=4 15644 B13R0.147 C#CCCCCCCSCC(C)CC 62a_100000748023_100012276617 [0,2,0,0,0,0|1,0,1]=4 15645 B13R0.147 C#CCCCCCCSCC(C)CC 62a_100012276617_100000748023 [0,2,0,0,0,0|1,0,1]=4 15646 B13R0.147 C#CCCCCCCSCC(O)CC 62a_100011218378_100012276617 [0,2,0,0,0,0|1,0,1]=4 15647 B13R0.147 C#CCCCCCCSCC(O)CC 62a_100012276617_100011218378 [0,2,0,0,0,0|1,0,1]=4 15648 B13R0.147 C#CCCCCCCSC[C@@H](C)CC 62a_100009816398_100012276617 [0,2,0,0,0,0|1,0,1]=4 15649 B13R0.147 C#CCCCCCCSC[C@@H](C)CC 62a_100012276617_100009816398 [0,2,0,0,0,0|1,0,1]=4 15650 B13R0.147 C#CCCCCCNCCC(C)CC 2230a_100020591266_100012094781 [0,2,0,0,0,0|1,0,1]=4 15651 B13R0.147 C#CCCCCCOCCC(C)CC 7a_100011215188_100012094781 [0,2,0,0,0,0|1,0,1]=4 15652 B13R0.147 C#CCCCCOCCCC(C)CC 7a_100011216074_100010269958 [0,2,0,0,0,0|1,0,1]=4 15653 B13R0.147 C#CCCOCCCCCC(C)CC 7a_200000035636_100000688953 [0,2,0,0,0,0|1,0,1]=4 15654 B13R0.147 C#C[C@@H](C)OCCCCCCCC=C 34a_100009815206_100012355270 [0,2,0,0,0,0|2,0,0]=4 15655 B13R0.147 C#C[C@@H](C)OCCCCCCCC=C 7a_100009815206_100012355270 [0,2,0,0,0,0|2,0,0]=4 15656 B13R0.147 C#C[C@@H](C)OCCCCCCCCC 34a_100009815206_100011214924 [0,2,0,0,0,0|1,0,1]=4 15657 B13R0.147 C#C[C@@H](C)OCCCCCCCCC 7a_100009815206_100000210328 [0,2,0,0,0,0|1,0,1]=4 15658 B13R0.147 C/C=C/COCCCCCC(C)CC 7a_200000035636_100102629194 [0,2,0,0,0,0|1,0,1]=4 15659 B13R0.147 C=C(C#N)CNCCCCCCCC 2230a_100000229939_100000694840 [0,2,0,0,0,0|2,0,0]=4 15660 B13R0.147 C=C(C#N)CNCCCCCCCC 34a_100000229939_100000694840 [0,2,0,0,0,0|2,0,0]=4 15661 B13R0.147 C=C(C#N)COCCCCCCCC 34a_100000210232_100000694840 [0,2,0,0,0,0|2,0,0]=4 15662 B13R0.147 C=C(C#N)CSCCCCCCCC 62a_100000210759_100000694840 [0,2,0,0,0,0|2,0,0]=4 15663 B13R0.147 C=CC(=O)CCCCCCC#CCC 1458a_100000185746_200000036426 [0,2,0,0,0,0|0,0,2]=4 15664 B13R0.147 C=CC(=O)CCCCCCCCCC 1458a_100000185746_100000210319 [0,2,0,0,0,0|0,0,0]=2 15665 B13R0.147 C=CC(=O)CCCCCCCCCO 1458a_100000185746_100009813782 [0,2,0,0,0,0|1,0,0]=3 15666 B13R0.147 C=CC(=O)NCCCCCCCCC 1626a_100000212291_100000185746 [0,2,0,0,0,0|1,0,0]=3 15667 B13R0.147 C=CC(=O)NCCCCCCCCC 240690a_100000212291_200121576911 [0,2,0,0,0,0|1,0,0]=3 15668 B13R0.147 C=CC(=O)NCCCCCCCCO 240690a_102515433106_200121576911 [0,2,0,0,0,0|2,0,0]=4 15669 B13R0.147 C=CC(=O)NCCCCOCCCC 34a_100014118770_100000210210 [0,2,0,0,0,0|2,0,0]=4 15670 B13R0.147 C=CC(=O)NCCNCCCCCC 2230a_114873766552_100000210314 [0,2,0,0,0,0|2,0,0]=4 15671 B13R0.147 C=CC(=O)NCCOCCCCCC 34a_100011304386_100000210314 [0,2,0,0,0,0|2,0,0]=4 15672 B13R0.147 C=CC(=O)OCCCCCCNCC 2230a_100015525214_100009894100 [0,2,0,0,0,0|2,0,0]=4 15673 B13R0.147 C=CC(=O)OCCCCCCOCC 34a_100121572206_100009894100 [0,2,0,0,0,0|2,0,0]=4 15674 B13R0.147 C=CC(=O)OCCCCCCSCC 62a_100000210202_100009894100 [0,2,0,0,0,0|2,0,0]=4 15675 B13R0.147 C=CC(=O)OCCCCCCSCC 62a_100009894100_100000210202 [0,2,0,0,0,0|2,0,0]=4 15676 B13R0.147 C=CC(=O)OCCCCCOCCC 7a_200011023508_100000210303 [0,2,0,0,0,0|2,0,0]=4 15677 B13R0.147 C=CC(=O)OCCNCCCCCC 2230a_100000210581_100009813456 [0,2,0,0,0,0|2,0,0]=4 15678 B13R0.147 C=CC(=O)OCCOCCCCCC 34a_100000210259_100009813456 [0,2,0,0,0,0|2,0,0]=4 15679 B13R0.147 C=CC(=O)OCCOCCCCCC 7a_100000210259_100009813456 [0,2,0,0,0,0|2,0,0]=4 15680 B13R0.147 C=CC(=O)OCCSCCCCCC 62a_100000210314_100009813456 [0,2,0,0,0,0|2,0,0]=4 15681 B13R0.147 C=CC(=O)OCCSCCCCCC 62a_100009813456_100000210757 [0,2,0,0,0,0|2,0,0]=4 15682 B13R0.147 C=CC(C)COCCCCCCCC 34a_100011215527_100000210759 [0,2,0,0,0,0|1,0,0]=3 15683 B13R0.147 C=CC(C)COCCCCCCCC 7a_100011215527_100000210759 [0,2,0,0,0,0|1,0,0]=3 15684 B13R0.147 C=CC(C)COCCCCCCCO 34a_100011215527_100000760002 [0,2,0,0,0,0|2,0,0]=4 15685 B13R0.147 C=CC(C)COCCCCCCCO 7a_100011215527_100000760002 [0,2,0,0,0,0|2,0,0]=4 15686 B13R0.147 C=CC(C)COCCCCCCOC 34a_100011215527_100011998445 [0,2,0,0,0,0|2,0,0]=4 15687 B13R0.147 C=CC(C)COCCCCCCOC 7a_100011215527_100011998445 [0,2,0,0,0,0|2,0,0]=4 15688 B13R0.147 C=CC(C)OCCCCCCCCC 34a_100000695699_100011214924 [0,2,0,0,0,0|1,0,0]=3 15689 B13R0.147 C=CC(C)OCCCCCCCCO 34a_100000695699_100000033203 [0,2,0,0,0,0|2,0,0]=4 15690 B13R0.147 C=CC(C)SCCCCCCCCO 62a_100011215867_100000033203 [0,2,0,0,0,0|2,0,0]=4 15691 B13R0.147 C=CC(O)CNCCCCCCCC 2230a_100000229939_100000730141 [0,2,0,0,0,0|1,0,0]=3 15692 B13R0.147 C=CC(O)CNCCCCCCCC 34a_100000229939_100000730141 [0,2,0,0,0,0|1,0,0]=3 15693 B13R0.147 C=CC(O)CNCCCCCCCO 2230a_100011996573_100000730141 [0,2,0,0,0,0|2,0,0]=4 15694 B13R0.147 C=CC(O)CNCCCCCCCO 34a_100011996573_100000730141 [0,2,0,0,0,0|2,0,0]=4 15695 B13R0.147 C=CC(O)CNCCCOCCCC 2230a_200000211371_100000730141 [0,2,0,0,0,0|2,0,0]=4 15696 B13R0.147 C=CC(O)CNCCCOCCCC 34a_200000211371_100000730141 [0,2,0,0,0,0|2,0,0]=4 15697 B13R0.147 C=CC(O)COCCCCCCCBr 34a_100000760002_100000730141 [0,2,0,0,0,0|2,0,0]=4 15698 B13R0.147 C=CC(O)COCCCCCCCBr 7a_100000760002_100000730141 [0,2,0,0,0,0|2,0,0]=4 15699 B13R0.147 C=CC(O)COCCCCCCCC 34a_100000210232_100000730141 [0,2,0,0,0,0|1,0,0]=3 15700 B13R0.147 C=CC(O)COCCCCCCCC 7a_100000210232_100000730141 [0,2,0,0,0,0|1,0,0]=3 15701 B13R0.147 C=CC(O)COCCCCCCCN 34a_100011996573_100000730141 [0,2,0,0,0,0|2,0,0]=4 15702 B13R0.147 C=CC(O)COCCCCCCOC 34a_200012092642_100000730141 [0,2,0,0,0,0|2,0,0]=4 15703 B13R0.147 C=CC(O)COCCCCCCOC 7a_200012092642_100000730141 [0,2,0,0,0,0|2,0,0]=4 15704 B13R0.147 C=CC(O)COCCCOCCCC 34a_200011215613_100000730141 [0,2,0,0,0,0|2,0,0]=4 15705 B13R0.147 C=CC(O)COCCCOCCCC 7a_200011215613_100000730141 [0,2,0,0,0,0|2,0,0]=4 15706 B13R0.147 C=CC(O)COCCNCCCCC 34a_100000224656_100000730141 [0,2,0,0,0,0|2,0,0]=4 15707 B13R0.147 C=CC(O)COCCOCCCCC 34a_100011215259_100000730141 [0,2,0,0,0,0|2,0,0]=4 15708 B13R0.147 C=CC(O)COCCOCCCCC 7a_100011215259_100000730141 [0,2,0,0,0,0|2,0,0]=4 15709 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000210759_100000730141 [0,2,0,0,0,0|1,0,0]=3 15710 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000730141_100000210317 [0,2,0,0,0,0|1,0,0]=3 15711 B13R0.147 C=CC(O)CSCCCCCCCO 62a_100000730141_100000760002 [0,2,0,0,0,0|2,0,0]=4 15712 B13R0.147 C=CC(O)CSCCCCCCCO 62a_100000760002_100000730141 [0,2,0,0,0,0|2,0,0]=4 15713 B13R0.147 C=CC(O)CSCCCCCCOC 62a_100000730141_100011998445 [0,2,0,0,0,0|2,0,0]=4 15714 B13R0.147 C=CC(O)CSCCCCCCOC 62a_100011998445_100000730141 [0,2,0,0,0,0|2,0,0]=4 15715 B13R0.147 C=CCCCCCCCCC(=O)C=C 1458a_100000185746_100011933949 [0,2,0,0,0,0|0,0,2]=4 15716 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000210414_100011933949 [0,2,0,0,0,0|1,0,0]=3 15717 B13R0.147 C=CCCCCCCCCC(=O)CC 1458a_100000211349_100000210202 [0,2,0,0,0,0|1,0,0]=3 15718 B13R0.147 C=CCCCCCCCCC(=O)CF 1458a_100000211349_100015361967 [0,2,0,0,0,0|0,0,2]=4 15719 B13R0.147 C=CCCCCCCCCC(=O)CO 1458a_100000210174_100011933949 [0,2,0,0,0,0|0,0,2]=4 15720 B13R0.147 C=CCCCCCCCCC(=O)NC 11a_106832991635_100000211349 [0,2,0,0,0,0|0,0,2]=4 15721 B13R0.147 C=CCCCCCCCCC(=O)NC 1626a_100102657272_100000211349 [0,2,0,0,0,0|0,0,2]=4 15722 B13R0.147 C=CCCCCCCCCC(=O)NC 240690a_100102657272_100000211349 [0,2,0,0,0,0|0,0,2]=4 15723 B13R0.147 C=CCCCCCCCCC(=O)NC 527a_100102657272_100000211349 [0,2,0,0,0,0|0,0,2]=4 15724 B13R0.147 C=CCCCCCCCCN(C)CC 2230a_100000225621_100011933949 [0,2,0,0,0,0|1,0,0]=3 15725 B13R0.147 C=CCCCCCCCCN(C)CC 269982a_100000225621_100011933949 [0,2,0,0,0,0|1,0,0]=3 15726 B13R0.147 C=CCCCCCCCNC(C)C#N 2230a_100000737613_100012355270 [0,2,0,0,0,0|2,0,0]=4 15727 B13R0.147 C=CCCCCCCCNC(C)CC 2230a_100000209981_100012355270 [0,2,0,0,0,0|1,0,0]=3 15728 B13R0.147 C=CCCCCCCCN[C@H](C)CO 2230a_100000737577_100012355270 [0,2,0,0,0,0|2,0,0]=4 15729 B13R0.147 C=CCCCCCCCOC(C)C#N 34a_100011218135_100012355270 [0,2,0,0,0,0|2,0,0]=4 15730 B13R0.147 C=CCCCCCCCOC(C)C#N 7a_100000730831_100000703298 [0,2,0,0,0,0|2,0,0]=4 15731 B13R0.147 C=CCCCCCCCOC(C)C=C 34a_100000695699_100012355270 [0,2,0,0,0,0|2,0,0]=4 15732 B13R0.147 C=CCCCCCCCOC(C)CC 34a_100000730831_100011215416 [0,2,0,0,0,0|1,0,0]=3 15733 B13R0.147 C=CCCCCCCCOC(C)CC 7a_100000210228_100012355270 [0,2,0,0,0,0|1,0,0]=3 15734 B13R0.147 C=CCCCCCCCOC(C)CC 7a_100000730831_100000758301 [0,2,0,0,0,0|1,0,0]=3 15735 B13R0.147 C=CCCCCCCCOC(C)CF 34a_100016041109_100012355270 [0,2,0,0,0,0|2,0,0]=4 15736 B13R0.147 C=CCCCCCCCOC(C)CF 7a_100016041109_100012355270 [0,2,0,0,0,0|2,0,0]=4 15737 B13R0.147 C=CCCCCCCCOC(C)CN 34a_100000210904_100012355270 [0,2,0,0,0,0|2,0,0]=4 15738 B13R0.147 C=CCCCCCCCOC(C)CO 34a_100000730831_100012180447 [0,2,0,0,0,0|2,0,0]=4 15739 B13R0.147 C=CCCCCCCCOC(C)CO 7a_100000730831_100012180447 [0,2,0,0,0,0|2,0,0]=4 15740 B13R0.147 C=CCCCCCCCSC(C)C#N 62a_100000703298_100012355270 [0,2,0,0,0,0|2,0,0]=4 15741 B13R0.147 C=CCCCCCCCSC(C)C#N 62a_100012355270_100000703298 [0,2,0,0,0,0|2,0,0]=4 15742 B13R0.147 C=CCCCCCCCSC(C)C=C 62a_100011215867_100012355270 [0,2,0,0,0,0|2,0,0]=4 15743 B13R0.147 C=CCCCCCCCSC(C)CO 62a_100012180447_100012355270 [0,2,0,0,0,0|2,0,0]=4 15744 B13R0.147 C=CCCCCCCCSC(C)OC 62a_100009879195_100012355270 [0,2,0,0,0,0|2,0,0]=4 15745 B13R0.147 C=CCCCCCCCSC(C)OC 62a_100012355270_100009879195 [0,2,0,0,0,0|2,0,0]=4 15746 B13R0.147 C=CCCCCCCCS[C@H](C)CO 62a_100012355270_100016084084 [0,2,0,0,0,0|2,0,0]=4 15747 B13R0.147 C=CCCCCCCCS[C@H](C)CO 62a_100016084084_100012355270 [0,2,0,0,0,0|2,0,0]=4 15748 B13R0.147 C=CCCCCCCNCC(C)CC 2230a_100020588543_100011215473 [0,2,0,0,0,0|1,0,0]=3 15749 B13R0.147 C=CCCCCCCNCC(C)CO 34a_100000744482_100011215473 [0,2,0,0,0,0|2,0,0]=4 15750 B13R0.147 C=CCCCCCCNCC(O)CC 2230a_100011218483_100011215473 [0,2,0,0,0,0|1,0,0]=3 15751 B13R0.147 C=CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100011215473 [0,2,0,0,0,0|2,0,0]=4 15752 B13R0.147 C=CCCCCCCNC[C@@H](F)CO 34a_100015665980_100011215473 [0,2,0,0,0,0|2,0,0]=4 15753 B13R0.147 C=CCCCCCCNC[C@H](O)CO 2230a_100020644852_100011215473 [0,2,0,0,0,0|2,0,0]=4 15754 B13R0.147 C=CCCCCCCOCC(=O)CC 34a_100000725409_100011215473 [0,2,0,0,0,0|1,0,1]=4 15755 B13R0.147 C=CCCCCCCOCC(=O)CC 7a_200011216477_100000747405 [0,2,0,0,0,0|1,0,1]=4 15756 B13R0.147 C=CCCCCCCOCC(C)C=C 34a_100011215527_100011215473 [0,2,0,0,0,0|2,0,0]=4 15757 B13R0.147 C=CCCCCCCOCC(C)C=C 7a_100011215527_100011215473 [0,2,0,0,0,0|2,0,0]=4 15758 B13R0.147 C=CCCCCCCOCC(C)CC 34a_200011216477_100000748023 [0,2,0,0,0,0|1,0,0]=3 15759 B13R0.147 C=CCCCCCCOCC(C)CC 7a_200011216477_100000748023 [0,2,0,0,0,0|1,0,0]=3 15760 B13R0.147 C=CCCCCCCOCC(C)CN 34a_100000744482_100011215473 [0,2,0,0,0,0|2,0,0]=4 15761 B13R0.147 C=CCCCCCCOCC(C)OC 34a_100000690652_100011215473 [0,2,0,0,0,0|2,0,0]=4 15762 B13R0.147 C=CCCCCCCOCC(Cl)CCl 34a_100000033668_100011215473 [0,2,0,0,0,0|2,0,0]=4 15763 B13R0.147 C=CCCCCCCOCC(O)CC 34a_200011216477_100011218378 [0,2,0,0,0,0|1,0,0]=3 15764 B13R0.147 C=CCCCCCCOCC(O)CC 7a_200011216477_100011218378 [0,2,0,0,0,0|1,0,0]=3 15765 B13R0.147 C=CCCCCCCOCC(O)CO 34a_200011216477_100011219619 [0,2,0,0,0,0|2,0,0]=4 15766 B13R0.147 C=CCCCCCCOCC(O)CO 7a_200011216477_100011219619 [0,2,0,0,0,0|2,0,0]=4 15767 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 34a_200011216477_100009816398 [0,2,0,0,0,0|1,0,0]=3 15768 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 7a_100009816381_100011215473 [0,2,0,0,0,0|1,0,0]=3 15769 B13R0.147 C=CCCCCCCOC[C@@H](C)CC 7a_200011216477_100009816398 [0,2,0,0,0,0|1,0,0]=3 15770 B13R0.147 C=CCCCCCCOC[C@@H](C)CO 34a_200011216477_100000059175 [0,2,0,0,0,0|2,0,0]=4 15771 B13R0.147 C=CCCCCCCOC[C@@H](C)CO 7a_200011216477_100000059175 [0,2,0,0,0,0|2,0,0]=4 15772 B13R0.147 C=CCCCCCCOC[C@@H](O)CF 34a_200011216477_100015614560 [0,2,0,0,0,0|2,0,0]=4 15773 B13R0.147 C=CCCCCCCOC[C@@H](O)CF 7a_200011216477_100015614560 [0,2,0,0,0,0|2,0,0]=4 15774 B13R0.147 C=CCCCCCCOC[C@@H](O)CO 34a_200011216477_100009815848 [0,2,0,0,0,0|2,0,0]=4 15775 B13R0.147 C=CCCCCCCOC[C@@H](O)CO 7a_200011216477_100009815848 [0,2,0,0,0,0|2,0,0]=4 15776 B13R0.147 C=CCCCCCCOC[C@H](F)CN 34a_100015665980_100011215473 [0,2,0,0,0,0|2,0,0]=4 15777 B13R0.147 C=CCCCCCCSCC(=O)CC 62a_100000747405_100011215473 [0,2,0,0,0,0|1,0,1]=4 15778 B13R0.147 C=CCCCCCCSCC(=O)CC 62a_100011215473_100000747405 [0,2,0,0,0,0|1,0,1]=4 15779 B13R0.147 C=CCCCCCCSCC(C)CC 62a_100000748023_100011215473 [0,2,0,0,0,0|1,0,0]=3 15780 B13R0.147 C=CCCCCCCSCC(C)CC 62a_100011215473_100000748023 [0,2,0,0,0,0|1,0,0]=3 15781 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011215473_100011218378 [0,2,0,0,0,0|1,0,0]=3 15782 B13R0.147 C=CCCCCCCSCC(O)CC 62a_100011218378_100011215473 [0,2,0,0,0,0|1,0,0]=3 15783 B13R0.147 C=CCCCCCCSCC(O)CO 62a_100011215473_100011219619 [0,2,0,0,0,0|2,0,0]=4 15784 B13R0.147 C=CCCCCCCSCC(O)CO 62a_100011219619_100011215473 [0,2,0,0,0,0|2,0,0]=4 15785 B13R0.147 C=CCCCCCCSC[C@@H](C)CC 62a_100009816398_100011215473 [0,2,0,0,0,0|1,0,0]=3 15786 B13R0.147 C=CCCCCCCSC[C@@H](C)CC 62a_100011215473_100009816398 [0,2,0,0,0,0|1,0,0]=3 15787 B13R0.147 C=CCCCCCCSC[C@@H](C)CO 62a_100000059175_100011215473 [0,2,0,0,0,0|2,0,0]=4 15788 B13R0.147 C=CCCCCCCSC[C@@H](C)CO 62a_100011215473_100000059175 [0,2,0,0,0,0|2,0,0]=4 15789 B13R0.147 C=CCCCCCCSC[C@@H](O)CF 62a_100011215473_100015614560 [0,2,0,0,0,0|2,0,0]=4 15790 B13R0.147 C=CCCCCCCSC[C@@H](O)CF 62a_100015614560_100011215473 [0,2,0,0,0,0|2,0,0]=4 15791 B13R0.147 C=CCCCCCCSC[C@@H](O)CO 62a_100009815848_100011215473 [0,2,0,0,0,0|2,0,0]=4 15792 B13R0.147 C=CCCCCCCSC[C@@H](O)CO 62a_100011215473_100009815848 [0,2,0,0,0,0|2,0,0]=4 15793 B13R0.147 C=CCCCCCNCCC(C)CC 2230a_100020591266_100000700193 [0,2,0,0,0,0|1,0,0]=3 15794 B13R0.147 C=CCCCCCNCCC(C)CO 2230a_106354213184_100000700193 [0,2,0,0,0,0|2,0,0]=4 15795 B13R0.147 C=CCCCCCNCCC(C)CO 34a_106354213184_100000700193 [0,2,0,0,0,0|2,0,0]=4 15796 B13R0.147 C=CCCCCCOCCC(C)CC 7a_100011215188_100000700193 [0,2,0,0,0,0|1,0,0]=3 15797 B13R0.147 C=CCCCCCOCCC(C)OC 7a_100000764861_100000700193 [0,2,0,0,0,0|2,0,0]=4 15798 B13R0.147 C=CCCCCNCCCN(C)CC 2230a_100000703577_100015186262 [0,2,0,0,0,0|2,0,0]=4 15799 B13R0.147 C=CCCCCOCCCC(C)CC 7a_100011216074_100011215482 [0,2,0,0,0,0|1,0,0]=3 15800 B13R0.147 C=CCCCCOCCCN(C)CC 7a_100000766645_100015186262 [0,2,0,0,0,0|2,0,0]=4 15801 B13R0.147 C=CCCCCOCCC[C@@H](C)CN 34a_100160569302_100011215482 [0,2,0,0,0,0|2,0,0]=4 15802 B13R0.147 C=CCCCCSCCCN(C)CC 62a_100011215482_100015186262 [0,2,0,0,0,0|2,0,0]=4 15803 B13R0.147 C=CCCOCCCCCC(C)CC 7a_200000035636_100000754431 [0,2,0,0,0,0|1,0,0]=3 15804 B13R0.147 C=C[C@H](N)COCCCCCCCC 34a_100016989147_100000210759 [0,2,0,0,0,0|1,0,0]=3 15805 B13R0.147 C=C[C@H](N)COCCCCCCCO 34a_100016989147_100000760002 [0,2,0,0,0,0|2,0,0]=4 15806 B13R0.147 C=C[C@H](N)COCCCCCCOC 34a_100016989147_100011998445 [0,2,0,0,0,0|2,0,0]=4 15807 B13R0.147 CC#CCCCCCCCC(=O)CC 1458a_100000066323_100000210202 [0,2,0,0,0,0|0,0,2]=4 15808 B13R0.147 CC#CCCCCCCCC(=O)CF 1458a_100000066323_100015361967 [0,2,0,0,0,0|0,0,2]=4 15809 B13R0.147 CC#CCCCCCCCC(=O)NC 11a_106832991635_100000066323 [0,2,0,0,0,0|0,0,2]=4 15810 B13R0.147 CC#CCCCCCCCC(=O)NC 1626a_100102657272_100000066323 [0,2,0,0,0,0|0,0,2]=4 15811 B13R0.147 CC#CCCCCCCCC(=O)NC 240690a_100102657272_100000066323 [0,2,0,0,0,0|0,0,2]=4 15812 B13R0.147 CC#CCCCCCCCC(=O)NC 527a_100102657272_100000066323 [0,2,0,0,0,0|0,0,2]=4 15813 B13R0.147 CC(CO)CCNCCCCCC=O 2230a_106354213184_100000139337 [0,2,0,0,0,0|1,0,0]=3 15814 B13R0.147 CC=CCOCCCCCC(C)CC 7a_200000035636_100000070051 [0,2,0,0,0,0|1,0,1]=4 15815 B13R0.147 CCC#CCCCCCCC(=O)CC 1458a_100000210414_200000036426 [0,2,0,0,0,0|0,0,2]=4 15816 B13R0.147 CCC#CCCCCCCC(=O)CO 1458a_100000210174_200000036426 [0,2,0,0,0,0|0,0,2]=4 15817 B13R0.147 CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210202 [0,2,0,0,0,0|1,0,0]=3 15818 B13R0.147 CCC(=O)CCCCCCCCCO 1458a_100000210414_100009813782 [0,2,0,0,0,0|1,0,0]=3 15819 B13R0.147 CCC(=O)COCCCCCCCBr 7a_100000760002_100000747405 [0,2,0,0,0,0|2,0,0]=4 15820 B13R0.147 CCC(=O)COCCCCCCCO 34a_100000725409_100000760002 [0,2,0,0,0,0|2,0,0]=4 15821 B13R0.147 CCC(=O)COCCCCCCOC 34a_100000725409_100011998445 [0,2,0,0,0,0|2,0,0]=4 15822 B13R0.147 CCC(=O)COCCCCCCOC 7a_200012092642_100000747405 [0,2,0,0,0,0|2,0,0]=4 15823 B13R0.147 CCC(=O)CSCCCCCCCO 62a_100000747405_100000760002 [0,2,0,0,0,0|2,0,0]=4 15824 B13R0.147 CCC(=O)CSCCCCCCCO 62a_100000760002_100000747405 [0,2,0,0,0,0|2,0,0]=4 15825 B13R0.147 CCC(=O)CSCCCCCCOC 62a_100000747405_100011998445 [0,2,0,0,0,0|2,0,0]=4 15826 B13R0.147 CCC(=O)CSCCCCCCOC 62a_100011998445_100000747405 [0,2,0,0,0,0|2,0,0]=4 15827 B13R0.147 CCC(=O)NCCCCCCCCO 240690a_102515433106_100000210414 [0,2,0,0,0,0|2,0,0]=4 15828 B13R0.147 CCC(=O)NCCOCCCCC=O 7a_200000158885_100000139335 [0,2,0,0,0,0|1,0,1]=4 15829 B13R0.147 CCC(=O)OCCOCCCCC=O 7a_200000031056_100000139335 [0,2,0,0,0,0|1,0,1]=4 15830 B13R0.147 CCC(C)CCCCCOCCC#N 7a_200000035636_100000184422 [0,2,0,0,0,0|1,0,1]=4 15831 B13R0.147 CCC(C)CCCCCOCCCF 7a_200000035636_100011934791 [0,2,0,0,0,0|1,0,1]=4 15832 B13R0.147 CCC(C)CCCCCOCCCO 7a_200000035636_100011215043 [0,2,0,0,0,0|0,0,2]=4 15833 B13R0.147 CCC(C)CCCCCOCCOC 7a_200000035636_100000233755 [0,2,0,0,0,0|2,0,0]=4 15834 B13R0.147 CCC(C)CCCCCOCCSC 7a_200000035636_100000212216 [0,2,0,0,0,0|2,0,0]=4 15835 B13R0.147 CCC(C)CCCOCCCCC#N 7a_100011216074_100000211819 [0,2,0,0,0,0|1,0,1]=4 15836 B13R0.147 CCC(C)CCCOCCCCC=O 7a_100011216074_100000139335 [0,2,0,0,0,0|0,0,0]=2 15837 B13R0.147 CCC(C)CCCOCCCCCF 7a_100011216074_100000729378 [0,2,0,0,0,0|1,0,1]=4 15838 B13R0.147 CCC(C)CCCOCCCCCO 7a_100011216074_100000746330 [0,2,0,0,0,0|0,0,2]=4 15839 B13R0.147 CCC(C)CCCOCCCCOC 7a_100011216074_100000730899 [0,2,0,0,0,0|2,0,0]=4 15840 B13R0.147 CCC(C)CCNCCCCCC#N 2230a_100020591266_100009813376 [0,2,0,0,0,0|1,0,1]=4 15841 B13R0.147 CCC(C)CCNCCCCCC=O 2230a_100020591266_100000139337 [0,2,0,0,0,0|0,0,0]=2 15842 B13R0.147 CCC(C)CCNCCCCCCF 2230a_100020591266_100015922095 [0,2,0,0,0,0|1,0,1]=4 15843 B13R0.147 CCC(C)CCNCCCCCCO 2230a_100020591266_100000766143 [0,2,0,0,0,0|0,0,2]=4 15844 B13R0.147 CCC(C)CCOCCCCCC#N 7a_100011215188_100009813376 [0,2,0,0,0,0|1,0,1]=4 15845 B13R0.147 CCC(C)CCOCCCCCC=O 7a_100011215188_100000139337 [0,2,0,0,0,0|0,0,0]=2 15846 B13R0.147 CCC(C)CCOCCCCCCF 7a_100011215188_100015922095 [0,2,0,0,0,0|1,0,1]=4 15847 B13R0.147 CCC(C)CCOCCCCCCO 7a_100011215188_100000766143 [0,2,0,0,0,0|0,0,2]=4 15848 B13R0.147 CCC(C)CNCCCCCCC#N 2230a_100020588543_100009813337 [0,2,0,0,0,0|1,0,1]=4 15849 B13R0.147 CCC(C)CNCCCCCCCO 2230a_100011996573_100000748023 [0,2,0,0,0,0|0,0,2]=4 15850 B13R0.147 CCC(C)CNCCCCCCCO 2230a_100020588543_100000760002 [0,2,0,0,0,0|0,0,2]=4 15851 B13R0.147 CCC(C)CNCCCCCCCO 270004a_100011996573_100000243153 [0,2,0,0,0,0|0,0,2]=4 15852 B13R0.147 CCC(C)CNCCCCCCCO 34a_100011996573_100000748023 [0,2,0,0,0,0|0,0,2]=4 15853 B13R0.147 CCC(C)CNCCCCCCOC 2230a_100020588543_100011998445 [0,2,0,0,0,0|2,0,0]=4 15854 B13R0.147 CCC(C)COCCCCCCCBr 34a_100000760002_100000748023 [0,2,0,0,0,0|1,0,1]=4 15855 B13R0.147 CCC(C)COCCCCCCCBr 7a_100000760002_100000748023 [0,2,0,0,0,0|1,0,1]=4 15856 B13R0.147 CCC(C)COCCCCCCCN 34a_100011996573_100000748023 [0,2,0,0,0,0|1,0,1]=4 15857 B13R0.147 CCC(C)COCCCCCCOC 34a_200012092642_100000748023 [0,2,0,0,0,0|2,0,0]=4 15858 B13R0.147 CCC(C)COCCCCCCOC 7a_200012092642_100000748023 [0,2,0,0,0,0|2,0,0]=4 15859 B13R0.147 CCC(C)CSCCCCCCC#N 62a_100000748023_100009813337 [0,2,0,0,0,0|1,0,1]=4 15860 B13R0.147 CCC(C)CSCCCCCCC#N 62a_100009813337_100000748023 [0,2,0,0,0,0|1,0,1]=4 15861 B13R0.147 CCC(C)CSCCCCCCCO 62a_100000748023_100000760002 [0,2,0,0,0,0|0,0,2]=4 15862 B13R0.147 CCC(C)CSCCCCCCCO 62a_100000760002_100000748023 [0,2,0,0,0,0|0,0,2]=4 15863 B13R0.147 CCC(C)CSCCCCCCOC 62a_100000748023_100011998445 [0,2,0,0,0,0|2,0,0]=4 15864 B13R0.147 CCC(C)CSCCCCCCOC 62a_100011998445_100000748023 [0,2,0,0,0,0|2,0,0]=4 15865 B13R0.147 CCC(C)NCCCCCCCCO 2230a_100000209981_100000033203 [0,2,0,0,0,0|0,0,2]=4 15866 B13R0.147 CCC(C)NCCCCCCCCO 2230a_102515433106_100000758301 [0,2,0,0,0,0|0,0,2]=4 15867 B13R0.147 CCC(C)NCCCCCCCCO 34a_102515433106_100011215416 [0,2,0,0,0,0|0,0,2]=4 15868 B13R0.147 CCC(C)OCCCCCCCCBr 34a_100009813846_100011215416 [0,2,0,0,0,0|1,0,1]=4 15869 B13R0.147 CCC(C)OCCCCCCCCBr 7a_100009813846_100000758301 [0,2,0,0,0,0|1,0,1]=4 15870 B13R0.147 CCC(C)OCCCCCCCCCl 34a_100000033203_100011215416 [0,2,0,0,0,0|1,0,1]=4 15871 B13R0.147 CCC(C)OCCCCCCCCCl 7a_100000033203_100000758301 [0,2,0,0,0,0|1,0,1]=4 15872 B13R0.147 CCC(C)OCCCCCCCCN 34a_102515433106_100011215416 [0,2,0,0,0,0|1,0,1]=4 15873 B13R0.147 CCC(C)OCCCCCCCCO 7a_100000210228_100000033203 [0,2,0,0,0,0|0,0,2]=4 15874 B13R0.147 CCC(C)SCCCCCCCCO 62a_100000033203_100000758301 [0,2,0,0,0,0|0,0,2]=4 15875 B13R0.147 CCC(C)SCCCCCCCCO 62a_100000758301_100000033203 [0,2,0,0,0,0|0,0,2]=4 15876 B13R0.147 CCC(O)CNCCCCCCC#N 2230a_100011218483_100009813337 [0,2,0,0,0,0|1,0,1]=4 15877 B13R0.147 CCC(O)CNCCCCCCCO 2230a_100011218483_100000760002 [0,2,0,0,0,0|0,0,2]=4 15878 B13R0.147 CCC(O)CNCCCCCCCO 2230a_100011996573_100011218378 [0,2,0,0,0,0|0,0,2]=4 15879 B13R0.147 CCC(O)CNCCCCCCCO 34a_100011996573_100011218378 [0,2,0,0,0,0|0,0,2]=4 15880 B13R0.147 CCC(O)CNCCCCCCOC 2230a_100011218483_100011998445 [0,2,0,0,0,0|2,0,0]=4 15881 B13R0.147 CCC(O)COCCCCCCCBr 34a_100000760002_100011218378 [0,2,0,0,0,0|1,0,1]=4 15882 B13R0.147 CCC(O)COCCCCCCCBr 7a_100000760002_100011218378 [0,2,0,0,0,0|1,0,1]=4 15883 B13R0.147 CCC(O)COCCCCCCCN 34a_100011996573_100011218378 [0,2,0,0,0,0|1,0,1]=4 15884 B13R0.147 CCC(O)COCCCCCCOC 34a_200012092642_100011218378 [0,2,0,0,0,0|2,0,0]=4 15885 B13R0.147 CCC(O)COCCCCCCOC 7a_200012092642_100011218378 [0,2,0,0,0,0|2,0,0]=4 15886 B13R0.147 CCC(O)CSCCCCCCC#N 62a_100009813337_100011218378 [0,2,0,0,0,0|1,0,1]=4 15887 B13R0.147 CCC(O)CSCCCCCCC#N 62a_100011218378_100009813337 [0,2,0,0,0,0|1,0,1]=4 15888 B13R0.147 CCC(O)CSCCCCCCCO 62a_100000760002_100011218378 [0,2,0,0,0,0|0,0,2]=4 15889 B13R0.147 CCC(O)CSCCCCCCCO 62a_100011218378_100000760002 [0,2,0,0,0,0|0,0,2]=4 15890 B13R0.147 CCC(O)CSCCCCCCOC 62a_100011218378_100011998445 [0,2,0,0,0,0|2,0,0]=4 15891 B13R0.147 CCC(O)CSCCCCCCOC 62a_100011998445_100011218378 [0,2,0,0,0,0|2,0,0]=4 15892 B13R0.147 CCCCCCCCC=CC(=O)CC 1458a_100015345288_100000210202 [0,2,0,0,0,0|0,0,2]=4 15893 B13R0.147 CCCCCCCCC=CC(=O)CF 1458a_100015345288_100015361967 [0,2,0,0,0,0|0,0,2]=4 15894 B13R0.147 CCCCCCCCC=CC(=O)NC 11a_106832991635_100015345288 [0,2,0,0,0,0|0,0,2]=4 15895 B13R0.147 CCCCCCCCC=CC(=O)NC 1626a_100102657272_100015345288 [0,2,0,0,0,0|0,0,2]=4 15896 B13R0.147 CCCCCCCCC=CC(=O)NC 240690a_100102657272_100015345288 [0,2,0,0,0,0|0,0,2]=4 15897 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210375_100000210202 [0,2,0,0,0,0|0,0,0]=2 15898 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210414_100000210319 [0,2,0,0,0,0|0,0,0]=2 15899 B13R0.147 CCCCCCCCCCC(=O)CF 1458a_100000210375_100015361967 [0,2,0,0,0,0|0,0,0]=2 15900 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [0,2,0,0,0,0|0,0,0]=2 15901 B13R0.147 CCCCCCCCCCC(=O)NC 11a_106832991635_100000210375 [0,2,0,0,0,0|0,0,0]=2 15902 B13R0.147 CCCCCCCCCCC(=O)NC 1626a_100102657272_100000210375 [0,2,0,0,0,0|0,0,0]=2 15903 B13R0.147 CCCCCCCCCCC(=O)NC 240690a_100102657272_100000210375 [0,2,0,0,0,0|0,0,0]=2 15904 B13R0.147 CCCCCCCCCCC(C)NC 270004a_106832991635_200011219864 [0,2,0,0,0,0|1,0,1]=4 15905 B13R0.147 CCCCCCCCCCC(C)OC 34a_100011215000_200000210301 [0,2,0,0,0,0|0,0,2]=4 15906 B13R0.147 CCCCCCCCCCC(C)OC 7a_100011215000_200000210301 [0,2,0,0,0,0|0,0,2]=4 15907 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 34a_100011215000_200025704644 [0,2,0,0,0,0|0,0,2]=4 15908 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 7a_100011215000_200025704644 [0,2,0,0,0,0|0,0,2]=4 15909 B13R0.147 CCCCCCCCCCN(C)CC 2230a_100000207566_100000210202 [0,2,0,0,0,0|1,0,1]=4 15910 B13R0.147 CCCCCCCCCCN(C)CC 2230a_100000225621_100000210320 [0,2,0,0,0,0|1,0,1]=4 15911 B13R0.147 CCCCCCCCCCN(C)CC 269982a_100000207566_100000204670 [0,2,0,0,0,0|1,0,1]=4 15912 B13R0.147 CCCCCCCCCCN(C)CC 269982a_100000225621_100000210320 [0,2,0,0,0,0|1,0,1]=4 15913 B13R0.147 CCCCCCCCCCN(C)CF 269982a_100000207566_100015361967 [0,2,0,0,0,0|1,0,1]=4 15914 B13R0.147 CCCCCCCCCNC(=O)CC 11a_100000212291_100000210414 [0,2,0,0,0,0|1,0,0]=3 15915 B13R0.147 CCCCCCCCCNC(=O)CC 1626a_100000212291_100000210414 [0,2,0,0,0,0|1,0,0]=3 15916 B13R0.147 CCCCCCCCCNC(=O)CC 240690a_100000212291_100000210414 [0,2,0,0,0,0|1,0,0]=3 15917 B13R0.147 CCCCCCCCCNC(=O)CC 527a_100000212291_100000210414 [0,2,0,0,0,0|1,0,0]=3 15918 B13R0.147 CCCCCCCCCNC(=O)CO 240690a_100000212291_100000210174 [0,2,0,0,0,0|1,0,0]=3 15919 B13R0.147 CCCCCCCCCNC(=O)CO 527a_100000212291_100000210174 [0,2,0,0,0,0|1,0,0]=3 15920 B13R0.147 CCCCCCCCCNC(=O)NC 2708a_100000212291_106832991635 [0,2,0,0,0,0|1,0,0]=3 15921 B13R0.147 CCCCCCCCCNC(=O)NC 2708a_100102657272_100000212291 [0,2,0,0,0,0|1,0,0]=3 15922 B13R0.147 CCCCCCCCCNC(=O)NC 273464a_100000212291_100102657272 [0,2,0,0,0,0|1,0,0]=3 15923 B13R0.147 CCCCCCCCCNC(=O)NC 273464a_100102657272_100000212291 [0,2,0,0,0,0|1,0,0]=3 15924 B13R0.147 CCCCCCCCCNC(=O)NC 512a_100000212291_100102657272 [0,2,0,0,0,0|1,0,0]=3 15925 B13R0.147 CCCCCCCCCNC(=O)NC 512a_106832991638_100000212291 [0,2,0,0,0,0|1,0,0]=3 15926 B13R0.147 CCCCCCCCCNC(C)C#N 2230a_100000212291_100000184139 [0,2,0,0,0,0|1,0,1]=4 15927 B13R0.147 CCCCCCCCCNC(C)C#N 2230a_100000737613_100011214924 [0,2,0,0,0,0|1,0,1]=4 15928 B13R0.147 CCCCCCCCCNC(C)CC 2230a_100000209981_100011214924 [0,2,0,0,0,0|1,0,1]=4 15929 B13R0.147 CCCCCCCCCNC(C)CC 2230a_100000212291_100000758301 [0,2,0,0,0,0|1,0,1]=4 15930 B13R0.147 CCCCCCCCCNC(C)CC 34a_100000212291_100011215416 [0,2,0,0,0,0|1,0,1]=4 15931 B13R0.147 CCCCCCCCCNC(C)CO 2230a_100000212291_100012180447 [0,2,0,0,0,0|0,0,2]=4 15932 B13R0.147 CCCCCCCCCNC(C)CO 34a_100000212291_100012180447 [0,2,0,0,0,0|0,0,2]=4 15933 B13R0.147 CCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011214924 [0,2,0,0,0,0|0,0,2]=4 15934 B13R0.147 CCCCCCCCCOC(C)C#N 34a_100011218135_100011214924 [0,2,0,0,0,0|1,0,1]=4 15935 B13R0.147 CCCCCCCCCOC(C)C#N 7a_100000210712_100000703298 [0,2,0,0,0,0|1,0,1]=4 15936 B13R0.147 CCCCCCCCCOC(C)CC 34a_100000210712_100011215416 [0,2,0,0,0,0|1,0,1]=4 15937 B13R0.147 CCCCCCCCCOC(C)CC 7a_100000210228_100000210328 [0,2,0,0,0,0|1,0,1]=4 15938 B13R0.147 CCCCCCCCCOC(C)CC 7a_100000210712_100000758301 [0,2,0,0,0,0|1,0,1]=4 15939 B13R0.147 CCCCCCCCCOC(C)CF 34a_100016041109_100011214924 [0,2,0,0,0,0|1,0,1]=4 15940 B13R0.147 CCCCCCCCCOC(C)CF 7a_100016041109_100000210328 [0,2,0,0,0,0|1,0,1]=4 15941 B13R0.147 CCCCCCCCCOC(C)CN 34a_100000210904_100011214924 [0,2,0,0,0,0|1,0,1]=4 15942 B13R0.147 CCCCCCCCCOC(C)CO 34a_100000210712_100012180447 [0,2,0,0,0,0|0,0,2]=4 15943 B13R0.147 CCCCCCCCCOC(C)CO 7a_100000210712_100012180447 [0,2,0,0,0,0|0,0,2]=4 15944 B13R0.147 CCCCCCCCCSC(C)C#N 62a_100000703298_100000210670 [0,2,0,0,0,0|1,0,1]=4 15945 B13R0.147 CCCCCCCCCSC(C)CO 62a_100012180447_100000210670 [0,2,0,0,0,0|0,0,2]=4 15946 B13R0.147 CCCCCCCCCSC(C)OC 62a_100009879195_100000210670 [0,2,0,0,0,0|2,0,0]=4 15947 B13R0.147 CCCCCCCCCSC(F)C#N 62a_200000117898_100000210670 [0,2,0,0,0,0|1,0,1]=4 15948 B13R0.147 CCCCCCCCCS[C@H](C)CO 62a_100016084084_100000210670 [0,2,0,0,0,0|0,0,2]=4 15949 B13R0.147 CCCCCCCCNCC(=O)NC 2230a_100000229939_100000183359 [0,2,0,0,0,0|1,0,0]=3 15950 B13R0.147 CCCCCCCCNCC(=O)NC 2230a_100000693194_100000210759 [0,2,0,0,0,0|1,0,0]=3 15951 B13R0.147 CCCCCCCCNCC(=O)NC 34a_100000229939_100000183359 [0,2,0,0,0,0|1,0,0]=3 15952 B13R0.147 CCCCCCCCNCC(=O)OC 2230a_100000229939_100000747449 [0,2,0,0,0,0|1,0,0]=3 15953 B13R0.147 CCCCCCCCNCC(=O)OC 34a_100000229939_100000747449 [0,2,0,0,0,0|1,0,0]=3 15954 B13R0.147 CCCCCCCCNCC(C)CC 2230a_100000229939_100000748023 [0,2,0,0,0,0|1,0,1]=4 15955 B13R0.147 CCCCCCCCNCC(C)CC 2230a_100020588543_100000210759 [0,2,0,0,0,0|1,0,1]=4 15956 B13R0.147 CCCCCCCCNCC(C)CC 270004a_100000229939_100000243153 [0,2,0,0,0,0|1,0,1]=4 15957 B13R0.147 CCCCCCCCNCC(C)CC 34a_100000229939_100000748023 [0,2,0,0,0,0|1,0,1]=4 15958 B13R0.147 CCCCCCCCNCC(C)CO 34a_100000744482_100000210759 [0,2,0,0,0,0|0,0,2]=4 15959 B13R0.147 CCCCCCCCNCC(O)CC 2230a_100000229939_100011218378 [0,2,0,0,0,0|1,0,1]=4 15960 B13R0.147 CCCCCCCCNCC(O)CC 2230a_100011218483_100000210759 [0,2,0,0,0,0|1,0,1]=4 15961 B13R0.147 CCCCCCCCNCC(O)CC 34a_100000229939_100011218378 [0,2,0,0,0,0|1,0,1]=4 15962 B13R0.147 CCCCCCCCNCC(O)CO 2230a_100000229939_100011219619 [0,2,0,0,0,0|0,0,2]=4 15963 B13R0.147 CCCCCCCCNCC(O)CO 34a_100000229939_100011219619 [0,2,0,0,0,0|0,0,2]=4 15964 B13R0.147 CCCCCCCCNC[C@@H](C)CC 2230a_100000229939_100009816398 [0,2,0,0,0,0|1,0,1]=4 15965 B13R0.147 CCCCCCCCNC[C@@H](C)CC 34a_100000229939_100009816398 [0,2,0,0,0,0|1,0,1]=4 15966 B13R0.147 CCCCCCCCNC[C@@H](C)CO 2230a_100000229939_100000059175 [0,2,0,0,0,0|0,0,2]=4 15967 B13R0.147 CCCCCCCCNC[C@@H](C)CO 34a_100000229939_100000059175 [0,2,0,0,0,0|0,0,2]=4 15968 B13R0.147 CCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210759 [0,2,0,0,0,0|2,0,0]=4 15969 B13R0.147 CCCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210759 [0,2,0,0,0,0|0,0,2]=4 15970 B13R0.147 CCCCCCCCNC[C@@H](O)CF 2230a_100000229939_100015614560 [0,2,0,0,0,0|1,0,1]=4 15971 B13R0.147 CCCCCCCCNC[C@@H](O)CF 34a_100000229939_100015614560 [0,2,0,0,0,0|1,0,1]=4 15972 B13R0.147 CCCCCCCCNC[C@@H](O)CO 2230a_100000229939_100009815848 [0,2,0,0,0,0|0,0,2]=4 15973 B13R0.147 CCCCCCCCNC[C@@H](O)CO 34a_100000229939_100009815848 [0,2,0,0,0,0|0,0,2]=4 15974 B13R0.147 CCCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210759 [0,2,0,0,0,0|0,0,2]=4 15975 B13R0.147 CCCCCCCCOCC(=O)CC 1458a_100000759886_100000210202 [0,2,0,0,0,0|1,0,0]=3 15976 B13R0.147 CCCCCCCCOCC(=O)CC 34a_100000725409_100000210759 [0,2,0,0,0,0|1,0,0]=3 15977 B13R0.147 CCCCCCCCOCC(=O)CC 7a_100000210232_100000747405 [0,2,0,0,0,0|1,0,0]=3 15978 B13R0.147 CCCCCCCCOCC(=O)CF 1458a_100000759886_100015361967 [0,2,0,0,0,0|1,0,0]=3 15979 B13R0.147 CCCCCCCCOCC(=O)NC 11a_106832991635_100000759886 [0,2,0,0,0,0|1,0,0]=3 15980 B13R0.147 CCCCCCCCOCC(=O)NC 1626a_100102657272_100000759886 [0,2,0,0,0,0|1,0,0]=3 15981 B13R0.147 CCCCCCCCOCC(=O)NC 240690a_100102657272_100000759886 [0,2,0,0,0,0|1,0,0]=3 15982 B13R0.147 CCCCCCCCOCC(=O)NC 34a_100000210232_100000183359 [0,2,0,0,0,0|1,0,0]=3 15983 B13R0.147 CCCCCCCCOCC(=O)NC 34a_100000750040_100000210759 [0,2,0,0,0,0|1,0,0]=3 15984 B13R0.147 CCCCCCCCOCC(=O)NC 527a_100102657272_100000759886 [0,2,0,0,0,0|1,0,0]=3 15985 B13R0.147 CCCCCCCCOCC(=O)NC 7a_100000210232_100000183359 [0,2,0,0,0,0|1,0,0]=3 15986 B13R0.147 CCCCCCCCOCC(=O)OC 34a_100000210232_100000747449 [0,2,0,0,0,0|1,0,0]=3 15987 B13R0.147 CCCCCCCCOCC(=O)OC 7a_100000210232_100000747449 [0,2,0,0,0,0|1,0,0]=3 15988 B13R0.147 CCCCCCCCOCC(C)CC 34a_100000210232_100000748023 [0,2,0,0,0,0|1,0,1]=4 15989 B13R0.147 CCCCCCCCOCC(C)CC 7a_100000210232_100000748023 [0,2,0,0,0,0|1,0,1]=4 15990 B13R0.147 CCCCCCCCOCC(C)CN 34a_100000744482_100000210759 [0,2,0,0,0,0|1,0,1]=4 15991 B13R0.147 CCCCCCCCOCC(C)OC 34a_100000690652_100000210759 [0,2,0,0,0,0|2,0,0]=4 15992 B13R0.147 CCCCCCCCOCC(Cl)CCl 34a_100000033668_100000210759 [0,2,0,0,0,0|1,0,1]=4 15993 B13R0.147 CCCCCCCCOCC(O)CC 34a_100000210232_100011218378 [0,2,0,0,0,0|1,0,1]=4 15994 B13R0.147 CCCCCCCCOCC(O)CC 7a_100000210232_100011218378 [0,2,0,0,0,0|1,0,1]=4 15995 B13R0.147 CCCCCCCCOCC(O)CO 34a_100000210232_100011219619 [0,2,0,0,0,0|0,0,2]=4 15996 B13R0.147 CCCCCCCCOCC(O)CO 7a_100000210232_100011219619 [0,2,0,0,0,0|0,0,2]=4 15997 B13R0.147 CCCCCCCCOC[C@@H](C)CC 34a_100000210232_100009816398 [0,2,0,0,0,0|1,0,1]=4 15998 B13R0.147 CCCCCCCCOC[C@@H](C)CC 7a_100000210232_100009816398 [0,2,0,0,0,0|1,0,1]=4 15999 B13R0.147 CCCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210759 [0,2,0,0,0,0|1,0,1]=4 16000 B13R0.147 CCCCCCCCOC[C@@H](C)CO 34a_100000210232_100000059175 [0,2,0,0,0,0|0,0,2]=4 16001 B13R0.147 CCCCCCCCOC[C@@H](C)CO 7a_100000210232_100000059175 [0,2,0,0,0,0|0,0,2]=4 16002 B13R0.147 CCCCCCCCOC[C@@H](O)CF 34a_100000210232_100015614560 [0,2,0,0,0,0|1,0,1]=4 16003 B13R0.147 CCCCCCCCOC[C@@H](O)CF 7a_100000210232_100015614560 [0,2,0,0,0,0|1,0,1]=4 16004 B13R0.147 CCCCCCCCOC[C@@H](O)CO 34a_100000210232_100009815848 [0,2,0,0,0,0|0,0,2]=4 16005 B13R0.147 CCCCCCCCOC[C@@H](O)CO 7a_100000210232_100009815848 [0,2,0,0,0,0|0,0,2]=4 16006 B13R0.147 CCCCCCCCOC[C@H](F)CN 34a_100015665980_100000210759 [0,2,0,0,0,0|1,0,1]=4 16007 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000210759_100000747405 [0,2,0,0,0,0|1,0,0]=3 16008 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000747405_100000210317 [0,2,0,0,0,0|1,0,0]=3 16009 B13R0.147 CCCCCCCCSCC(=O)NC 62a_100000183359_100000210317 [0,2,0,0,0,0|1,0,0]=3 16010 B13R0.147 CCCCCCCCSCC(=O)NC 62a_100000210759_100000183359 [0,2,0,0,0,0|1,0,0]=3 16011 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000210759_100000747449 [0,2,0,0,0,0|1,0,0]=3 16012 B13R0.147 CCCCCCCCSCC(=O)OC 62a_100000747449_100000210317 [0,2,0,0,0,0|1,0,0]=3 16013 B13R0.147 CCCCCCCCSCC(O)CC 62a_100000210759_100011218378 [0,2,0,0,0,0|1,0,1]=4 16014 B13R0.147 CCCCCCCCSCC(O)CC 62a_100011218378_100000210317 [0,2,0,0,0,0|1,0,1]=4 16015 B13R0.147 CCCCCCCCSCC(O)CO 62a_100000210759_100011219619 [0,2,0,0,0,0|0,0,2]=4 16016 B13R0.147 CCCCCCCCSCC(O)CO 62a_100011219619_100000210317 [0,2,0,0,0,0|0,0,2]=4 16017 B13R0.147 CCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210317 [0,2,0,0,0,0|0,0,2]=4 16018 B13R0.147 CCCCCCCCSC[C@@H](C)CO 62a_100000210759_100000059175 [0,2,0,0,0,0|0,0,2]=4 16019 B13R0.147 CCCCCCCCSC[C@@H](O)CF 62a_100000210759_100015614560 [0,2,0,0,0,0|1,0,1]=4 16020 B13R0.147 CCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210317 [0,2,0,0,0,0|1,0,1]=4 16021 B13R0.147 CCCCCCCCSC[C@@H](O)CO 62a_100000210759_100009815848 [0,2,0,0,0,0|0,0,2]=4 16022 B13R0.147 CCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210317 [0,2,0,0,0,0|0,0,2]=4 16023 B13R0.147 CCCCCCCNCCC(=O)NC 2230a_100000229938_100000737683 [0,2,0,0,0,0|1,0,0]=3 16024 B13R0.147 CCCCCCCNCCC(=O)NC 2230a_100000738227_100000210681 [0,2,0,0,0,0|1,0,0]=3 16025 B13R0.147 CCCCCCCNCCC(=O)NC 34a_100000738227_100000210614 [0,2,0,0,0,0|1,0,0]=3 16026 B13R0.147 CCCCCCCNCCC(=O)OC 2230a_100000229938_100000204255 [0,2,0,0,0,0|1,0,0]=3 16027 B13R0.147 CCCCCCCNCCC(C)CC 2230a_100020591266_100000210681 [0,2,0,0,0,0|1,0,1]=4 16028 B13R0.147 CCCCCCCNCCC(C)CO 2230a_106354213184_100000210681 [0,2,0,0,0,0|0,0,2]=4 16029 B13R0.147 CCCCCCCNCCC(C)CO 34a_106354213184_100000210614 [0,2,0,0,0,0|0,0,2]=4 16030 B13R0.147 CCCCCCCOCCC(=NO)N 34a_100000749954_100000210614 [0,2,0,0,0,0|1,0,1]=4 16031 B13R0.147 CCCCCCCOCCC(=O)NC 34a_100000210272_100012179268 [0,2,0,0,0,0|1,0,0]=3 16032 B13R0.147 CCCCCCCOCCC(=O)NC 34a_100000754576_100000210614 [0,2,0,0,0,0|1,0,0]=3 16033 B13R0.147 CCCCCCCOCCC(=O)NC 7a_100000210272_100000737683 [0,2,0,0,0,0|1,0,0]=3 16034 B13R0.147 CCCCCCCOCCC(=O)OC 34a_100000210272_100000742370 [0,2,0,0,0,0|1,0,0]=3 16035 B13R0.147 CCCCCCCOCCC(=O)OC 7a_100000210272_100000204255 [0,2,0,0,0,0|1,0,0]=3 16036 B13R0.147 CCCCCCCOCCC(C)CC 7a_100011215188_100000210614 [0,2,0,0,0,0|1,0,1]=4 16037 B13R0.147 CCCCCCCOCCC(C)OC 7a_100000764861_100000210614 [0,2,0,0,0,0|2,0,0]=4 16038 B13R0.147 CCCCCCCSCCC(=O)NC 62a_100000210614_100000737683 [0,2,0,0,0,0|1,0,0]=3 16039 B13R0.147 CCCCCCCSCCC(=O)NC 62a_100000737683_100000210316 [0,2,0,0,0,0|1,0,0]=3 16040 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000204255_100000210316 [0,2,0,0,0,0|1,0,0]=3 16041 B13R0.147 CCCCCCCSCCC(=O)OC 62a_100000210614_100000204255 [0,2,0,0,0,0|1,0,0]=3 16042 B13R0.147 CCCCCCCSCOC(=O)OC 62a_100000210614_100000139417 [0,2,0,0,0,0|2,0,0]=4 16043 B13R0.147 CCCCCCNCCCC(=O)NC 2230a_100000210581_100000741757 [0,2,0,0,0,0|1,0,0]=3 16044 B13R0.147 CCCCCCNCCCC(=O)NC 2230a_100000740002_100000210314 [0,2,0,0,0,0|1,0,0]=3 16045 B13R0.147 CCCCCCNCCCC(=O)NC 34a_100000740002_100000210314 [0,2,0,0,0,0|1,0,0]=3 16046 B13R0.147 CCCCCCNCCCC(=O)OC 2230a_100000210581_100011218270 [0,2,0,0,0,0|1,0,0]=3 16047 B13R0.147 CCCCCCNCCNC(=O)CC 34a_100132302217_100000210314 [0,2,0,0,0,0|2,0,0]=4 16048 B13R0.147 CCCCCCNCCNC(=O)NC 34a_100015205895_100000210314 [0,2,0,0,0,0|2,0,0]=4 16049 B13R0.147 CCCCCCOCCCC(=O)NC 34a_100000210259_100000741757 [0,2,0,0,0,0|1,0,0]=3 16050 B13R0.147 CCCCCCOCCCC(=O)NC 7a_100000210259_100000741757 [0,2,0,0,0,0|1,0,0]=3 16051 B13R0.147 CCCCCCOCCCC(=O)NN 34a_100000211488_100000210314 [0,2,0,0,0,0|1,0,0]=3 16052 B13R0.147 CCCCCCOCCCC(=O)OC 34a_100000210259_100000742333 [0,2,0,0,0,0|1,0,0]=3 16053 B13R0.147 CCCCCCOCCCC(=O)OC 7a_100000210259_100011218270 [0,2,0,0,0,0|1,0,0]=3 16054 B13R0.147 CCCCCCOCCCC(C)CC 7a_100011216074_100000210314 [0,2,0,0,0,0|1,0,1]=4 16055 B13R0.147 CCCCCCOCCC[C@@H](C)CN 34a_100160569302_100000210314 [0,2,0,0,0,0|1,0,1]=4 16056 B13R0.147 CCCCCCOCCNC(=O)CC 34a_200000158885_100000210314 [0,2,0,0,0,0|2,0,0]=4 16057 B13R0.147 CCCCCCOCCNC(=O)CC 7a_200000158885_100000210314 [0,2,0,0,0,0|2,0,0]=4 16058 B13R0.147 CCCCCCOCCNC(=O)OC 34a_100000757965_100000210314 [0,2,0,0,0,0|2,0,0]=4 16059 B13R0.147 CCCCCCOCCOC(=O)CC 7a_200000031056_100000210314 [0,2,0,0,0,0|2,0,0]=4 16060 B13R0.147 CCCCCCOCCOC(=O)NC 34a_100000210259_200011997002 [0,2,0,0,0,0|2,0,0]=4 16061 B13R0.147 CCCCCCOCCOC(=O)NC 7a_100000210259_200011997002 [0,2,0,0,0,0|2,0,0]=4 16062 B13R0.147 CCCCCCOCCOC(=O)OC 34a_100010262106_100000210314 [0,2,0,0,0,0|2,0,0]=4 16063 B13R0.147 CCCCCCSCCCC(=O)NC 62a_100000210314_100000741757 [0,2,0,0,0,0|1,0,0]=3 16064 B13R0.147 CCCCCCSCCCC(=O)NC 62a_100000741757_100000210757 [0,2,0,0,0,0|1,0,0]=3 16065 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100000210314_100011218270 [0,2,0,0,0,0|1,0,0]=3 16066 B13R0.147 CCCCCCSCCCC(=O)OC 62a_100011218270_100000210757 [0,2,0,0,0,0|1,0,0]=3 16067 B13R0.147 CCCCCCSCCOC(=O)NC 62a_100000210314_200011997002 [0,2,0,0,0,0|2,0,0]=4 16068 B13R0.147 CCCCCCSCCOC(=O)NC 62a_200011997002_100000210757 [0,2,0,0,0,0|2,0,0]=4 16069 B13R0.147 CCCCCNCCCCC(=O)OC 2230a_100000209983_100000204269 [0,2,0,0,0,0|1,0,0]=3 16070 B13R0.147 CCCCCNCCOCC(=O)NC 34a_100000224656_100000183359 [0,2,0,0,0,0|2,0,0]=4 16071 B13R0.147 CCCCCNCCOCC(=O)OC 2230a_100000209983_100000090808 [0,2,0,0,0,0|2,0,0]=4 16072 B13R0.147 CCCCCNCCOCC(=O)OC 34a_100000224656_100000747449 [0,2,0,0,0,0|2,0,0]=4 16073 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000059025_100000718602 [0,2,0,0,0,0|1,0,0]=3 16074 B13R0.147 CCCCCOCCCCC(=O)OC 34a_100000210253_100000204269 [0,2,0,0,0,0|1,0,0]=3 16075 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000059025_100000210326 [0,2,0,0,0,0|1,0,0]=3 16076 B13R0.147 CCCCCOCCCCC(=O)OC 7a_100000210253_100000204269 [0,2,0,0,0,0|1,0,0]=3 16077 B13R0.147 CCCCCOCCOCC(=O)CC 7a_100011215259_100000747405 [0,2,0,0,0,0|2,0,0]=4 16078 B13R0.147 CCCCCOCCOCC(=O)NC 34a_100011215259_100000183359 [0,2,0,0,0,0|2,0,0]=4 16079 B13R0.147 CCCCCOCCOCC(=O)NC 7a_100011215259_100000183359 [0,2,0,0,0,0|2,0,0]=4 16080 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100000210253_100000090808 [0,2,0,0,0,0|2,0,0]=4 16081 B13R0.147 CCCCCOCCOCC(=O)OC 34a_100011215259_100000747449 [0,2,0,0,0,0|2,0,0]=4 16082 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100000210253_100000090808 [0,2,0,0,0,0|2,0,0]=4 16083 B13R0.147 CCCCCOCCOCC(=O)OC 7a_100011215259_100000747449 [0,2,0,0,0,0|2,0,0]=4 16084 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000204269_100000210326 [0,2,0,0,0,0|1,0,0]=3 16085 B13R0.147 CCCCCSCCCCC(=O)OC 62a_100000210326_100000204269 [0,2,0,0,0,0|1,0,0]=3 16086 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000090808_100000210326 [0,2,0,0,0,0|2,0,0]=4 16087 B13R0.147 CCCCCSCCOCC(=O)OC 62a_100000210326_100000090808 [0,2,0,0,0,0|2,0,0]=4 16088 B13R0.147 CCCCNCCCCCC(=O)OC 2230a_100000102301_100009816466 [0,2,0,0,0,0|1,0,0]=3 16089 B13R0.147 CCCCNCCCCCC(=O)OC 7a_106832991798_100009816466 [0,2,0,0,0,0|1,0,0]=3 16090 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000074720_100000210210 [0,2,0,0,0,0|1,0,0]=3 16091 B13R0.147 CCCCOCCCCCC(=O)OC 34a_100000210227_100009816466 [0,2,0,0,0,0|1,0,0]=3 16092 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000074720_100000210211 [0,2,0,0,0,0|1,0,0]=3 16093 B13R0.147 CCCCOCCCCCC(=O)OC 7a_100000210227_100009816466 [0,2,0,0,0,0|1,0,0]=3 16094 B13R0.147 CCCCOCCCCCC(C)CC 7a_200000035636_100000210211 [0,2,0,0,0,0|1,0,1]=4 16095 B13R0.147 CCCCOCCCNCC(=O)NC 2230a_200000211371_100000183359 [0,2,0,0,0,0|2,0,0]=4 16096 B13R0.147 CCCCOCCCNCC(=O)NC 34a_200000211371_100000183359 [0,2,0,0,0,0|2,0,0]=4 16097 B13R0.147 CCCCOCCCNCC(=O)OC 2230a_200000211371_100000747449 [0,2,0,0,0,0|2,0,0]=4 16098 B13R0.147 CCCCOCCCNCC(=O)OC 34a_200000211371_100000747449 [0,2,0,0,0,0|2,0,0]=4 16099 B13R0.147 CCCCOCCCOCC(=O)CC 7a_200011215613_100000747405 [0,2,0,0,0,0|2,0,0]=4 16100 B13R0.147 CCCCOCCCOCC(=O)NC 34a_200011215613_100000183359 [0,2,0,0,0,0|2,0,0]=4 16101 B13R0.147 CCCCOCCCOCC(=O)NC 7a_200011215613_100000183359 [0,2,0,0,0,0|2,0,0]=4 16102 B13R0.147 CCCCOCCCOCC(=O)OC 34a_200011215613_100000747449 [0,2,0,0,0,0|2,0,0]=4 16103 B13R0.147 CCCCOCCCOCC(=O)OC 7a_200011215613_100000747449 [0,2,0,0,0,0|2,0,0]=4 16104 B13R0.147 CCCCOCCNCCC(=O)NC 2230a_100000738227_100000743108 [0,2,0,0,0,0|2,0,0]=4 16105 B13R0.147 CCCCOCCNCCC(=O)NC 34a_100000738227_100000743108 [0,2,0,0,0,0|2,0,0]=4 16106 B13R0.147 CCCCOCCOCCC(=O)NC 34a_100000210238_100012179268 [0,2,0,0,0,0|2,0,0]=4 16107 B13R0.147 CCCCOCCOCCC(=O)NC 34a_100000754576_100000743108 [0,2,0,0,0,0|2,0,0]=4 16108 B13R0.147 CCCCOCCOCCC(=O)NC 7a_100000210238_100000737683 [0,2,0,0,0,0|2,0,0]=4 16109 B13R0.147 CCCCOCCOCCC(=O)OC 34a_100000210238_100000742370 [0,2,0,0,0,0|2,0,0]=4 16110 B13R0.147 CCCCOCCOCCC(=O)OC 7a_100000210238_100000204255 [0,2,0,0,0,0|2,0,0]=4 16111 B13R0.147 CCCCOCCSCCC(=O)NC 62a_100000737683_100000743108 [0,2,0,0,0,0|2,0,0]=4 16112 B13R0.147 CCCCOCCSCCC(=O)NC 62a_100000743108_100000737683 [0,2,0,0,0,0|2,0,0]=4 16113 B13R0.147 CCCCOCCSCCC(=O)OC 62a_100000204255_100000743108 [0,2,0,0,0,0|2,0,0]=4 16114 B13R0.147 CCCCOCCSCCC(=O)OC 62a_100000743108_100000204255 [0,2,0,0,0,0|2,0,0]=4 16115 B13R0.147 CCCCOCNCCCC(=O)NC 2230a_100000740002_100011995733 [0,2,0,0,0,0|2,0,0]=4 16116 B13R0.147 CCCCOCNCCCC(=O)NC 34a_100000740002_100011995733 [0,2,0,0,0,0|2,0,0]=4 16117 B13R0.147 CCCCOCOCCCC(=O)NN 34a_100000211488_100011995733 [0,2,0,0,0,0|2,0,0]=4 16118 B13R0.147 CCCCOCSCCCC(=O)NC 62a_100000741757_100011995733 [0,2,0,0,0,0|2,0,0]=4 16119 B13R0.147 CCCCOCSCCCC(=O)NC 62a_100011995733_100000741757 [0,2,0,0,0,0|2,0,0]=4 16120 B13R0.147 CCCCOCSCCCC(=O)OC 62a_100011218270_100011995733 [0,2,0,0,0,0|2,0,0]=4 16121 B13R0.147 CCCCOCSCCCC(=O)OC 62a_100011995733_100011218270 [0,2,0,0,0,0|2,0,0]=4 16122 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100000210211_100009816466 [0,2,0,0,0,0|1,0,0]=3 16123 B13R0.147 CCCCSCCCCCC(=O)OC 62a_100009816466_100000210210 [0,2,0,0,0,0|1,0,0]=3 16124 B13R0.147 CCCCSCCNCCC(=O)NC 2230a_100025743550_100000737683 [0,2,0,0,0,0|2,0,0]=4 16125 B13R0.147 CCCCSCCNCCC(=O)OC 2230a_100025743550_100000204255 [0,2,0,0,0,0|2,0,0]=4 16126 B13R0.147 CCCCSCCOCCC(=O)NC 34a_200000230436_100012179268 [0,2,0,0,0,0|2,0,0]=4 16127 B13R0.147 CCCCSCCOCCC(=O)NC 7a_200000230436_100000737683 [0,2,0,0,0,0|2,0,0]=4 16128 B13R0.147 CCCCSCCOCCC(=O)OC 34a_200000230436_100000742370 [0,2,0,0,0,0|2,0,0]=4 16129 B13R0.147 CCCCSCCOCCC(=O)OC 7a_200000230436_100000204255 [0,2,0,0,0,0|2,0,0]=4 16130 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100000210258_100009815986 [0,2,0,0,0,0|1,0,0]=3 16131 B13R0.147 CCCOCCCCCCC(=O)OC 34a_100009863599_100000210303 [0,2,0,0,0,0|1,0,0]=3 16132 B13R0.147 CCCOCCCCCCC(=O)OC 7a_100009863599_100000210303 [0,2,0,0,0,0|1,0,0]=3 16133 B13R0.147 CCCOCCCNCCC(=O)NC 2230a_100011217757_100000737683 [0,2,0,0,0,0|2,0,0]=4 16134 B13R0.147 CCCOCCCNCCC(=O)NC 34a_100011217757_100012179268 [0,2,0,0,0,0|2,0,0]=4 16135 B13R0.147 CCCOCCCNCCC(=O)OC 2230a_100011217757_100000204255 [0,2,0,0,0,0|2,0,0]=4 16136 B13R0.147 CCCOCCCNCCC(=O)OC 34a_100011217757_100000742370 [0,2,0,0,0,0|2,0,0]=4 16137 B13R0.147 CCCOCCNCCCC(=O)NC 2230a_100000740002_100011215938 [0,2,0,0,0,0|2,0,0]=4 16138 B13R0.147 CCCOCCNCCCC(=O)NC 2230a_100161115042_100000741757 [0,2,0,0,0,0|2,0,0]=4 16139 B13R0.147 CCCOCCNCCCC(=O)NC 34a_100000740002_100011215938 [0,2,0,0,0,0|2,0,0]=4 16140 B13R0.147 CCCOCCNCCCC(=O)NC 34a_100161115042_100000741757 [0,2,0,0,0,0|2,0,0]=4 16141 B13R0.147 CCCOCCNCCCC(=O)OC 2230a_100161115042_100011218270 [0,2,0,0,0,0|2,0,0]=4 16142 B13R0.147 CCCOCCNCCCC(=O)OC 34a_100161115042_100000742333 [0,2,0,0,0,0|2,0,0]=4 16143 B13R0.147 CCCOCCOCCCC(=O)NC 34a_100000752267_100000741757 [0,2,0,0,0,0|2,0,0]=4 16144 B13R0.147 CCCOCCOCCCC(=O)NC 7a_100000752267_100000741757 [0,2,0,0,0,0|2,0,0]=4 16145 B13R0.147 CCCOCCOCCCC(=O)NN 34a_100000211488_100011215938 [0,2,0,0,0,0|2,0,0]=4 16146 B13R0.147 CCCOCCOCCCC(=O)OC 34a_100000752267_100000742333 [0,2,0,0,0,0|2,0,0]=4 16147 B13R0.147 CCCOCCOCCCC(=O)OC 7a_100000752267_100011218270 [0,2,0,0,0,0|2,0,0]=4 16148 B13R0.147 CCCOCCSCCCC(=O)NC 62a_100000741757_100011215938 [0,2,0,0,0,0|2,0,0]=4 16149 B13R0.147 CCCOCCSCCCC(=O)NC 62a_100011215938_100000741757 [0,2,0,0,0,0|2,0,0]=4 16150 B13R0.147 CCCOCCSCCCC(=O)OC 62a_100011215938_100011218270 [0,2,0,0,0,0|2,0,0]=4 16151 B13R0.147 CCCOCCSCCCC(=O)OC 62a_100011218270_100011215938 [0,2,0,0,0,0|2,0,0]=4 16152 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100000210303_100009815986 [0,2,0,0,0,0|1,0,0]=3 16153 B13R0.147 CCCSCCCCCCC(=O)OC 62a_100009815986_100000210303 [0,2,0,0,0,0|1,0,0]=3 16154 B13R0.147 CCCSCCNCCCC(=O)NC 2230a_100020603323_100000741757 [0,2,0,0,0,0|2,0,0]=4 16155 B13R0.147 CCCSCCNCCCC(=O)OC 2230a_100020603323_100011218270 [0,2,0,0,0,0|2,0,0]=4 16156 B13R0.147 CCCSCCOCCCC(=O)NC 34a_200000230433_100000741757 [0,2,0,0,0,0|2,0,0]=4 16157 B13R0.147 CCCSCCOCCCC(=O)NC 7a_200000230433_100000741757 [0,2,0,0,0,0|2,0,0]=4 16158 B13R0.147 CCCSCCOCCCC(=O)OC 34a_200000230433_100000742333 [0,2,0,0,0,0|2,0,0]=4 16159 B13R0.147 CCCSCCOCCCC(=O)OC 7a_200000230433_100011218270 [0,2,0,0,0,0|2,0,0]=4 16160 B13R0.147 CCN(C)CCCCCCCCCO 2230a_100000225621_100009813782 [0,2,0,0,0,0|0,0,2]=4 16161 B13R0.147 CCN(C)CCCCCCCCCO 269982a_100000225621_100009813782 [0,2,0,0,0,0|0,0,2]=4 16162 B13R0.147 CCN(C)CCCSCCCCC=O 62a_100000139335_100015186262 [0,2,0,0,0,0|1,0,0]=3 16163 B13R0.147 CCNCCCCCCCC(=O)OC 2230a_100015525214_100010004213 [0,2,0,0,0,0|1,0,0]=3 16164 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100011022521_100000210202 [0,2,0,0,0,0|1,0,0]=3 16165 B13R0.147 CCOCCCCCCCC(=O)OC 34a_100121572206_100010004213 [0,2,0,0,0,0|1,0,0]=3 16166 B13R0.147 CCOCCCCCCCC(=O)OC 7a_100011022521_100000210202 [0,2,0,0,0,0|1,0,0]=3 16167 B13R0.147 CCOCCCNCCCC(=O)NC 2230a_100000210961_100000741757 [0,2,0,0,0,0|2,0,0]=4 16168 B13R0.147 CCOCCCNCCCC(=O)NC 2230a_100000740002_100012232248 [0,2,0,0,0,0|2,0,0]=4 16169 B13R0.147 CCOCCCNCCCC(=O)NC 34a_100000210961_100000741757 [0,2,0,0,0,0|2,0,0]=4 16170 B13R0.147 CCOCCCNCCCC(=O)NC 34a_100000740002_100012232248 [0,2,0,0,0,0|2,0,0]=4 16171 B13R0.147 CCOCCCNCCCC(=O)OC 2230a_100000210961_100011218270 [0,2,0,0,0,0|2,0,0]=4 16172 B13R0.147 CCOCCCNCCCC(=O)OC 34a_100000210961_100000742333 [0,2,0,0,0,0|2,0,0]=4 16173 B13R0.147 CCOCCCOCCCC(=O)NC 34a_100000757476_100000741757 [0,2,0,0,0,0|2,0,0]=4 16174 B13R0.147 CCOCCCOCCCC(=O)NC 7a_100000757476_100000741757 [0,2,0,0,0,0|2,0,0]=4 16175 B13R0.147 CCOCCCOCCCC(=O)NN 34a_100000211488_100012232248 [0,2,0,0,0,0|2,0,0]=4 16176 B13R0.147 CCOCCCOCCCC(=O)OC 34a_100000757476_100000742333 [0,2,0,0,0,0|2,0,0]=4 16177 B13R0.147 CCOCCCOCCCC(=O)OC 7a_100000757476_100011218270 [0,2,0,0,0,0|2,0,0]=4 16178 B13R0.147 CCOCCCSCCCC(=O)NC 62a_100000741757_100012232248 [0,2,0,0,0,0|2,0,0]=4 16179 B13R0.147 CCOCCCSCCCC(=O)NC 62a_100012232248_100000741757 [0,2,0,0,0,0|2,0,0]=4 16180 B13R0.147 CCOCCCSCCCC(=O)OC 62a_100011218270_100012232248 [0,2,0,0,0,0|2,0,0]=4 16181 B13R0.147 CCOCCCSCCCC(=O)OC 62a_100012232248_100011218270 [0,2,0,0,0,0|2,0,0]=4 16182 B13R0.147 CCOCCNCCCCC(=O)OC 2230a_102516460346_100000204269 [0,2,0,0,0,0|2,0,0]=4 16183 B13R0.147 CCOCCNCCCCC(=O)OC 34a_102516460346_100000204269 [0,2,0,0,0,0|2,0,0]=4 16184 B13R0.147 CCOCCOCCCCC(=O)OC 34a_100000059025_100000210147 [0,2,0,0,0,0|2,0,0]=4 16185 B13R0.147 CCOCCOCCCCC(=O)OC 34a_100000210136_100000204269 [0,2,0,0,0,0|2,0,0]=4 16186 B13R0.147 CCOCCOCCCCC(=O)OC 7a_100000059025_100011215890 [0,2,0,0,0,0|2,0,0]=4 16187 B13R0.147 CCOCCOCCCCC(=O)OC 7a_100000210136_100000204269 [0,2,0,0,0,0|2,0,0]=4 16188 B13R0.147 CCOCCSCCCCC(=O)OC 62a_100000204269_100011215890 [0,2,0,0,0,0|2,0,0]=4 16189 B13R0.147 CCOCCSCCCCC(=O)OC 62a_100000210147_100000204269 [0,2,0,0,0,0|2,0,0]=4 16190 B13R0.147 CCOCSCCCCCC(=O)OC 62a_100000739092_100009816466 [0,2,0,0,0,0|2,0,0]=4 16191 B13R0.147 CCOCSCCCCCC(=O)OC 62a_100009816466_100000739092 [0,2,0,0,0,0|2,0,0]=4 16192 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100000210202_100010004213 [0,2,0,0,0,0|1,0,0]=3 16193 B13R0.147 CCSCCCCCCCC(=O)OC 62a_100010004213_100000210202 [0,2,0,0,0,0|1,0,0]=3 16194 B13R0.147 CCSCCCOCCCC(=O)NC 34a_100011216438_100000741757 [0,2,0,0,0,0|2,0,0]=4 16195 B13R0.147 CCSCCCOCCCC(=O)NC 7a_100011216438_100000741757 [0,2,0,0,0,0|2,0,0]=4 16196 B13R0.147 CCSCCCOCCCC(=O)OC 34a_100011216438_100000742333 [0,2,0,0,0,0|2,0,0]=4 16197 B13R0.147 CCSCCCOCCCC(=O)OC 7a_100011216438_100011218270 [0,2,0,0,0,0|2,0,0]=4 16198 B13R0.147 CCSCCNCCCCC(=O)OC 2230a_100000106463_100000204269 [0,2,0,0,0,0|2,0,0]=4 16199 B13R0.147 CCSCCOCCCCC(=O)OC 34a_100000059025_100000757381 [0,2,0,0,0,0|2,0,0]=4 16200 B13R0.147 CCSCCOCCCCC(=O)OC 34a_100000212035_100000204269 [0,2,0,0,0,0|2,0,0]=4 16201 B13R0.147 CCSCCOCCCCC(=O)OC 7a_100000059025_100000757381 [0,2,0,0,0,0|2,0,0]=4 16202 B13R0.147 CCSCCOCCCCC(=O)OC 7a_100000212035_100000204269 [0,2,0,0,0,0|2,0,0]=4 16203 B13R0.147 CCSCCSCCCCC(=O)OC 62a_100000204269_100000757381 [0,2,0,0,0,0|2,0,0]=4 16204 B13R0.147 CCSCCSCCCCC(=O)OC 62a_100000757381_100000204269 [0,2,0,0,0,0|2,0,0]=4 16205 B13R0.147 CC[C@H](C)CNCCCCCCCO 2230a_100011996573_100009816398 [0,2,0,0,0,0|0,0,2]=4 16206 B13R0.147 CC[C@H](C)CNCCCCCCCO 34a_100011996573_100009816398 [0,2,0,0,0,0|0,0,2]=4 16207 B13R0.147 CC[C@H](C)COCCCCCCC#N 7a_100009816381_100009813337 [0,2,0,0,0,0|1,0,1]=4 16208 B13R0.147 CC[C@H](C)COCCCCCCCBr 34a_100000760002_100009816398 [0,2,0,0,0,0|1,0,1]=4 16209 B13R0.147 CC[C@H](C)COCCCCCCCBr 7a_100000760002_100009816398 [0,2,0,0,0,0|1,0,1]=4 16210 B13R0.147 CC[C@H](C)COCCCCCCCN 34a_100011996573_100009816398 [0,2,0,0,0,0|1,0,1]=4 16211 B13R0.147 CC[C@H](C)COCCCCCCCO 7a_100009816381_100000760002 [0,2,0,0,0,0|0,0,2]=4 16212 B13R0.147 CC[C@H](C)COCCCCCCOC 34a_200012092642_100009816398 [0,2,0,0,0,0|2,0,0]=4 16213 B13R0.147 CC[C@H](C)COCCCCCCOC 7a_100009816381_100011998445 [0,2,0,0,0,0|2,0,0]=4 16214 B13R0.147 CC[C@H](C)COCCCCCCOC 7a_200012092642_100009816398 [0,2,0,0,0,0|2,0,0]=4 16215 B13R0.147 CC[C@H](C)CSCCCCCCC#N 62a_100009813337_100009816398 [0,2,0,0,0,0|1,0,1]=4 16216 B13R0.147 CC[C@H](C)CSCCCCCCC#N 62a_100009816398_100009813337 [0,2,0,0,0,0|1,0,1]=4 16217 B13R0.147 CC[C@H](C)CSCCCCCCCO 62a_100000760002_100009816398 [0,2,0,0,0,0|0,0,2]=4 16218 B13R0.147 CC[C@H](C)CSCCCCCCCO 62a_100009816398_100000760002 [0,2,0,0,0,0|0,0,2]=4 16219 B13R0.147 CC[C@H](C)CSCCCCCCOC 62a_100009816398_100011998445 [0,2,0,0,0,0|2,0,0]=4 16220 B13R0.147 CC[C@H](C)CSCCCCCCOC 62a_100011998445_100009816398 [0,2,0,0,0,0|2,0,0]=4 16221 B13R0.147 CNC(=O)CCCCCCCCCF 11a_106832991635_200009909015 [0,2,0,0,0,0|1,0,0]=3 16222 B13R0.147 CNC(=O)CCCCCCCCCF 240690a_100102657272_200009909015 [0,2,0,0,0,0|1,0,0]=3 16223 B13R0.147 CNC(=O)CCCCCCCCCF 527a_100102657272_200009909015 [0,2,0,0,0,0|1,0,0]=3 16224 B13R0.147 CNC(=O)CCCCCCCCCO 240690a_100102657272_100000032657 [0,2,0,0,0,0|1,0,0]=3 16225 B13R0.147 CNC(=O)CCCNCCCCC=O 2230a_100000740002_100000139335 [0,2,0,0,0,0|1,0,1]=4 16226 B13R0.147 CNC(=O)CCCNCCCCCF 2230a_100000740002_100000729378 [0,2,0,0,0,0|2,0,0]=4 16227 B13R0.147 CNC(=O)CCCNCCCCCF 34a_100000740002_100000729378 [0,2,0,0,0,0|2,0,0]=4 16228 B13R0.147 CNC(=O)CCCNCCCCCO 2230a_100000740002_100000746330 [0,2,0,0,0,0|2,0,0]=4 16229 B13R0.147 CNC(=O)CCCNCCCCCO 2230a_100000762737_100000741757 [0,2,0,0,0,0|2,0,0]=4 16230 B13R0.147 CNC(=O)CCCNCCCCCO 34a_100000740002_100000746330 [0,2,0,0,0,0|2,0,0]=4 16231 B13R0.147 CNC(=O)CCCNCCCCCO 34a_100000762737_100000741757 [0,2,0,0,0,0|2,0,0]=4 16232 B13R0.147 CNC(=O)CCCNCCCCOC 2230a_100000740002_100000730899 [0,2,0,0,0,0|2,0,0]=4 16233 B13R0.147 CNC(=O)CCCNCCCCOC 34a_100000740002_100000755781 [0,2,0,0,0,0|2,0,0]=4 16234 B13R0.147 CNC(=O)CCCOCCCCCBr 34a_100000746331_100000741757 [0,2,0,0,0,0|2,0,0]=4 16235 B13R0.147 CNC(=O)CCCOCCCCCBr 7a_100000746331_100000741757 [0,2,0,0,0,0|2,0,0]=4 16236 B13R0.147 CNC(=O)CCCOCCCCCCl 34a_100000746330_100000741757 [0,2,0,0,0,0|2,0,0]=4 16237 B13R0.147 CNC(=O)CCCOCCCCCCl 7a_100000746330_100000741757 [0,2,0,0,0,0|2,0,0]=4 16238 B13R0.147 CNC(=O)CCCOCCCCCI 34a_200012148887_100000741757 [0,2,0,0,0,0|2,0,0]=4 16239 B13R0.147 CNC(=O)CCCOCCCCCI 7a_200012148887_100000741757 [0,2,0,0,0,0|2,0,0]=4 16240 B13R0.147 CNC(=O)CCCOCCCCCN 34a_100000762737_100000741757 [0,2,0,0,0,0|2,0,0]=4 16241 B13R0.147 CNC(=O)CCCOCCCCOC 34a_100000740925_100000741757 [0,2,0,0,0,0|2,0,0]=4 16242 B13R0.147 CNC(=O)CCCOCCCCSC 34a_100011217163_100000741757 [0,2,0,0,0,0|2,0,0]=4 16243 B13R0.147 CNC(=O)CCCOCCCCSC 7a_100011217163_100000741757 [0,2,0,0,0,0|2,0,0]=4 16244 B13R0.147 CNC(=O)CCCSCCCCC=O 62a_100000139335_100000741757 [0,2,0,0,0,0|1,0,1]=4 16245 B13R0.147 CNC(=O)CCCSCCCCC=O 62a_100000741757_100000139335 [0,2,0,0,0,0|1,0,1]=4 16246 B13R0.147 CNC(=O)CCCSCCCCCF 62a_100000729378_100000741757 [0,2,0,0,0,0|2,0,0]=4 16247 B13R0.147 CNC(=O)CCCSCCCCCF 62a_100000741757_100000729378 [0,2,0,0,0,0|2,0,0]=4 16248 B13R0.147 CNC(=O)CCCSCCCCCO 62a_100000741757_100000746330 [0,2,0,0,0,0|2,0,0]=4 16249 B13R0.147 CNC(=O)CCCSCCCCCO 62a_100000746330_100000741757 [0,2,0,0,0,0|2,0,0]=4 16250 B13R0.147 CNC(=O)CCCSCCCCOC 62a_100000730899_100000741757 [0,2,0,0,0,0|2,0,0]=4 16251 B13R0.147 CNC(=O)CCCSCCCCOC 62a_100000741757_100000730899 [0,2,0,0,0,0|2,0,0]=4 16252 B13R0.147 CNC(=O)CCNCCCCCC=O 2230a_100000738227_100000139337 [0,2,0,0,0,0|1,0,1]=4 16253 B13R0.147 CNC(=O)CCNCCCCCCF 2230a_100000738227_100015922095 [0,2,0,0,0,0|2,0,0]=4 16254 B13R0.147 CNC(=O)CCNCCCCCCF 34a_100000738227_100015922095 [0,2,0,0,0,0|2,0,0]=4 16255 B13R0.147 CNC(=O)CCNCCCCCCO 2230a_100000686447_100000737683 [0,2,0,0,0,0|2,0,0]=4 16256 B13R0.147 CNC(=O)CCNCCCCCCO 2230a_100000738227_100000766143 [0,2,0,0,0,0|2,0,0]=4 16257 B13R0.147 CNC(=O)CCNCCCCCCO 34a_100000686447_100012179268 [0,2,0,0,0,0|2,0,0]=4 16258 B13R0.147 CNC(=O)CCNCCCCCCO 34a_100000738227_100000766143 [0,2,0,0,0,0|2,0,0]=4 16259 B13R0.147 CNC(=O)CCNCCCCCOC 2230a_100000747528_100000737683 [0,2,0,0,0,0|2,0,0]=4 16260 B13R0.147 CNC(=O)CCNCCCCCOC 34a_100000747528_100012179268 [0,2,0,0,0,0|2,0,0]=4 16261 B13R0.147 CNC(=O)CCOCCCCCCBr 34a_100011215345_100012179268 [0,2,0,0,0,0|2,0,0]=4 16262 B13R0.147 CNC(=O)CCOCCCCCCBr 7a_100011215345_100000737683 [0,2,0,0,0,0|2,0,0]=4 16263 B13R0.147 CNC(=O)CCOCCCCCCCl 34a_100000766143_100012179268 [0,2,0,0,0,0|2,0,0]=4 16264 B13R0.147 CNC(=O)CCOCCCCCCCl 7a_100000766143_100000737683 [0,2,0,0,0,0|2,0,0]=4 16265 B13R0.147 CNC(=O)CCOCCCCCCF 34a_100000732779_100012179268 [0,2,0,0,0,0|2,0,0]=4 16266 B13R0.147 CNC(=O)CCOCCCCCCF 34a_100000754576_100015922095 [0,2,0,0,0,0|2,0,0]=4 16267 B13R0.147 CNC(=O)CCOCCCCCCF 7a_100000732779_100000737683 [0,2,0,0,0,0|2,0,0]=4 16268 B13R0.147 CNC(=O)CCOCCCCCCN 34a_100000686447_100012179268 [0,2,0,0,0,0|2,0,0]=4 16269 B13R0.147 CNC(=O)CCOCCCCCCO 34a_100000754576_100000766143 [0,2,0,0,0,0|2,0,0]=4 16270 B13R0.147 CNC(=O)CCSCCCCCC=O 62a_100000139337_100000737683 [0,2,0,0,0,0|1,0,1]=4 16271 B13R0.147 CNC(=O)CCSCCCCCC=O 62a_100000737683_100000139337 [0,2,0,0,0,0|1,0,1]=4 16272 B13R0.147 CNC(=O)CCSCCCCCCF 62a_100000737683_100015922095 [0,2,0,0,0,0|2,0,0]=4 16273 B13R0.147 CNC(=O)CCSCCCCCCF 62a_100015922095_100000737683 [0,2,0,0,0,0|2,0,0]=4 16274 B13R0.147 CNC(=O)CCSCCCCCCO 62a_100000737683_100000766143 [0,2,0,0,0,0|2,0,0]=4 16275 B13R0.147 CNC(=O)CCSCCCCCCO 62a_100000766143_100000737683 [0,2,0,0,0,0|2,0,0]=4 16276 B13R0.147 CNC(=O)CNCCCCCCCO 2230a_100000693194_100000760002 [0,2,0,0,0,0|2,0,0]=4 16277 B13R0.147 CNC(=O)CNCCCCCCCO 2230a_100011996573_100000183359 [0,2,0,0,0,0|2,0,0]=4 16278 B13R0.147 CNC(=O)CNCCCCCCCO 34a_100011996573_100000183359 [0,2,0,0,0,0|2,0,0]=4 16279 B13R0.147 CNC(=O)CNCCCCCCOC 2230a_100000693194_100011998445 [0,2,0,0,0,0|2,0,0]=4 16280 B13R0.147 CNC(=O)COCCCCCCCBr 34a_100000760002_100000183359 [0,2,0,0,0,0|2,0,0]=4 16281 B13R0.147 CNC(=O)COCCCCCCCBr 7a_100000760002_100000183359 [0,2,0,0,0,0|2,0,0]=4 16282 B13R0.147 CNC(=O)COCCCCCCCN 34a_100011996573_100000183359 [0,2,0,0,0,0|2,0,0]=4 16283 B13R0.147 CNC(=O)COCCCCCCCO 34a_100000750040_100000760002 [0,2,0,0,0,0|2,0,0]=4 16284 B13R0.147 CNC(=O)COCCCCCCOC 34a_100000750040_100011998445 [0,2,0,0,0,0|2,0,0]=4 16285 B13R0.147 CNC(=O)COCCCCCCOC 34a_200012092642_100000183359 [0,2,0,0,0,0|2,0,0]=4 16286 B13R0.147 CNC(=O)COCCCCCCOC 7a_200012092642_100000183359 [0,2,0,0,0,0|2,0,0]=4 16287 B13R0.147 CNC(=O)CSCCCCCCCO 62a_100000183359_100000760002 [0,2,0,0,0,0|2,0,0]=4 16288 B13R0.147 CNC(=O)CSCCCCCCCO 62a_100000760002_100000183359 [0,2,0,0,0,0|2,0,0]=4 16289 B13R0.147 CNC(=O)CSCCCCCCOC 62a_100000183359_100011998445 [0,2,0,0,0,0|2,0,0]=4 16290 B13R0.147 CNC(=O)CSCCCCCCOC 62a_100011998445_100000183359 [0,2,0,0,0,0|2,0,0]=4 16291 B13R0.147 CNC(=O)NCCCCCCCCO 2708a_100102657272_102515433106 [0,2,0,0,0,0|2,0,0]=4 16292 B13R0.147 CNC(=O)NCCCCCCCCO 2708a_102515433106_106832991635 [0,2,0,0,0,0|2,0,0]=4 16293 B13R0.147 CNC(=O)NCCCCCCCCO 273464a_100102657272_102515433106 [0,2,0,0,0,0|2,0,0]=4 16294 B13R0.147 CNC(=O)NCCCCCCCCO 273464a_102515433106_100102657272 [0,2,0,0,0,0|2,0,0]=4 16295 B13R0.147 CNC(=O)NCCCCCCCCO 512a_102515433106_100102657272 [0,2,0,0,0,0|2,0,0]=4 16296 B13R0.147 CNC(=O)NCCCCCCCCO 512a_106832991638_102515433106 [0,2,0,0,0,0|2,0,0]=4 16297 B13R0.147 CNCCCCCCCCC(=O)OC 2230a_106832991635_100010282707 [0,2,0,0,0,0|1,0,0]=3 16298 B13R0.147 CNCCCCCCCCC(=O)OC 34a_100102657272_100010282707 [0,2,0,0,0,0|1,0,0]=3 16299 B13R0.147 CNCCCCCCCCC(=O)OC 7a_106832991635_100010282707 [0,2,0,0,0,0|1,0,0]=3 16300 B13R0.147 CNCCCCCOCCC(=O)NC 34a_100000722520_100012179268 [0,2,0,0,0,0|2,0,0]=4 16301 B13R0.147 CNCCCCCOCCC(=O)OC 34a_100000722520_100000742370 [0,2,0,0,0,0|2,0,0]=4 16302 B13R0.147 CNCCCOCCCCC(=O)OC 34a_100000213112_100000204269 [0,2,0,0,0,0|2,0,0]=4 16303 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 34a_100000035544_200025704644 [0,2,0,0,0,0|1,0,0]=3 16304 B13R0.147 COC(=O)CCCCCCCCO[13CH3] 7a_100000035544_200025704644 [0,2,0,0,0,0|1,0,0]=3 16305 B13R0.147 COC(=O)CCCCCCCCSC 62a_100010282707_200000210301 [0,2,0,0,0,0|1,0,0]=3 16306 B13R0.147 COC(=O)CCCCCCCCSC 62a_200000210301_100010282707 [0,2,0,0,0,0|1,0,0]=3 16307 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_100010282707_200025704644 [0,2,0,0,0,0|1,0,0]=3 16308 B13R0.147 COC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010282707 [0,2,0,0,0,0|1,0,0]=3 16309 B13R0.147 COC(=O)CCCCCCCOCF 34a_100011022521_100015361967 [0,2,0,0,0,0|2,0,0]=4 16310 B13R0.147 COC(=O)CCCCCCCOCF 7a_100011022521_100015361967 [0,2,0,0,0,0|2,0,0]=4 16311 B13R0.147 COC(=O)CCCCCCCSCF 62a_100010004213_100015361967 [0,2,0,0,0,0|2,0,0]=4 16312 B13R0.147 COC(=O)CCCCCCCSCF 62a_100015361967_100010004213 [0,2,0,0,0,0|2,0,0]=4 16313 B13R0.147 COC(=O)CCCCCCNCCF 34a_100000724931_100009815986 [0,2,0,0,0,0|2,0,0]=4 16314 B13R0.147 COC(=O)CCCCCCNCCO 2230a_100016997473_100009815986 [0,2,0,0,0,0|2,0,0]=4 16315 B13R0.147 COC(=O)CCCCCCNCCO 34a_100016990907_100009815986 [0,2,0,0,0,0|2,0,0]=4 16316 B13R0.147 COC(=O)CCCCCCOCC=O 34a_100009863599_200009817547 [0,2,0,0,0,0|1,0,1]=4 16317 B13R0.147 COC(=O)CCCCCCOCC=O 7a_100009863599_200015260668 [0,2,0,0,0,0|1,0,1]=4 16318 B13R0.147 COC(=O)CCCCCCOCCBr 34a_100000211926_100009815986 [0,2,0,0,0,0|2,0,0]=4 16319 B13R0.147 COC(=O)CCCCCCOCCF 34a_100009863599_100011217306 [0,2,0,0,0,0|2,0,0]=4 16320 B13R0.147 COC(=O)CCCCCCOCCF 7a_100009863599_100011217306 [0,2,0,0,0,0|2,0,0]=4 16321 B13R0.147 COC(=O)CCCCCCOCCN 34a_100000210304_100009815986 [0,2,0,0,0,0|2,0,0]=4 16322 B13R0.147 COC(=O)CCCCCCOCCO 34a_100009863599_100000211926 [0,2,0,0,0,0|2,0,0]=4 16323 B13R0.147 COC(=O)CCCCCCOCCO 7a_100009863599_100000211926 [0,2,0,0,0,0|2,0,0]=4 16324 B13R0.147 COC(=O)CCCCCCOCSC 34a_100009863599_100011218213 [0,2,0,0,0,0|2,0,0]=4 16325 B13R0.147 COC(=O)CCCCCCSCC=O 62a_100009815986_200015260668 [0,2,0,0,0,0|1,0,1]=4 16326 B13R0.147 COC(=O)CCCCCCSCC=O 62a_200015260668_100009815986 [0,2,0,0,0,0|1,0,1]=4 16327 B13R0.147 COC(=O)CCCCCCSCCF 62a_100009815986_100011217306 [0,2,0,0,0,0|2,0,0]=4 16328 B13R0.147 COC(=O)CCCCCCSCCF 62a_100011217306_100009815986 [0,2,0,0,0,0|2,0,0]=4 16329 B13R0.147 COC(=O)CCCCCCSCCO 62a_100000211926_100009815986 [0,2,0,0,0,0|2,0,0]=4 16330 B13R0.147 COC(=O)CCCCCCSCCO 62a_100009815986_100000211926 [0,2,0,0,0,0|2,0,0]=4 16331 B13R0.147 COC(=O)CCCCCCSCSC 62a_100009815986_100011218213 [0,2,0,0,0,0|2,0,0]=4 16332 B13R0.147 COC(=O)CCCCCCSCSC 62a_100011218213_100009815986 [0,2,0,0,0,0|2,0,0]=4 16333 B13R0.147 COC(=O)CCCCCNCCCF 2230a_100015189416_100009816466 [0,2,0,0,0,0|2,0,0]=4 16334 B13R0.147 COC(=O)CCCCCNCCCF 34a_100015189416_100009816466 [0,2,0,0,0,0|2,0,0]=4 16335 B13R0.147 COC(=O)CCCCCNCCSC 2230a_100020590264_100009816466 [0,2,0,0,0,0|2,0,0]=4 16336 B13R0.147 COC(=O)CCCCCOCCCBr 34a_100011217188_100009816466 [0,2,0,0,0,0|2,0,0]=4 16337 B13R0.147 COC(=O)CCCCCOCCCCl 34a_100000230001_100009816466 [0,2,0,0,0,0|2,0,0]=4 16338 B13R0.147 COC(=O)CCCCCOCCCF 34a_100000074720_100011934791 [0,2,0,0,0,0|2,0,0]=4 16339 B13R0.147 COC(=O)CCCCCOCCCF 34a_100000759539_100009816466 [0,2,0,0,0,0|2,0,0]=4 16340 B13R0.147 COC(=O)CCCCCOCCCF 7a_100000074720_100011934791 [0,2,0,0,0,0|2,0,0]=4 16341 B13R0.147 COC(=O)CCCCCOCCCN 34a_100000182051_100009816466 [0,2,0,0,0,0|2,0,0]=4 16342 B13R0.147 COC(=O)CCCCCOCCCO 34a_100000074720_100000230001 [0,2,0,0,0,0|2,0,0]=4 16343 B13R0.147 COC(=O)CCCCCOCCCO 7a_100000074720_100011215043 [0,2,0,0,0,0|2,0,0]=4 16344 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000074720_100000212216 [0,2,0,0,0,0|2,0,0]=4 16345 B13R0.147 COC(=O)CCCCCOCCSC 34a_100000230434_100009816466 [0,2,0,0,0,0|2,0,0]=4 16346 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000074720_100000212216 [0,2,0,0,0,0|2,0,0]=4 16347 B13R0.147 COC(=O)CCCCCOCCSC 7a_100000230434_100009816466 [0,2,0,0,0,0|2,0,0]=4 16348 B13R0.147 COC(=O)CCCCCSCCCF 62a_100009816466_100011934791 [0,2,0,0,0,0|2,0,0]=4 16349 B13R0.147 COC(=O)CCCCCSCCCF 62a_100011934791_100009816466 [0,2,0,0,0,0|2,0,0]=4 16350 B13R0.147 COC(=O)CCCCCSCCCO 62a_100009816466_100011215043 [0,2,0,0,0,0|2,0,0]=4 16351 B13R0.147 COC(=O)CCCCCSCCCO 62a_100011215043_100009816466 [0,2,0,0,0,0|2,0,0]=4 16352 B13R0.147 COC(=O)CCCCCSCCSC 62a_100000212216_100009816466 [0,2,0,0,0,0|2,0,0]=4 16353 B13R0.147 COC(=O)CCCCCSCCSC 62a_100009816466_100000751147 [0,2,0,0,0,0|2,0,0]=4 16354 B13R0.147 COC(=O)CCCCNCCCCO 2230a_100000750430_100000204269 [0,2,0,0,0,0|2,0,0]=4 16355 B13R0.147 COC(=O)CCCCNCCCCO 34a_100000750430_100000204269 [0,2,0,0,0,0|2,0,0]=4 16356 B13R0.147 COC(=O)CCCCNCCCSC 2230a_100000749238_100000204269 [0,2,0,0,0,0|2,0,0]=4 16357 B13R0.147 COC(=O)CCCCOCCCC=O 7a_100000059025_200011292268 [0,2,0,0,0,0|1,0,1]=4 16358 B13R0.147 COC(=O)CCCCOCCCCBr 34a_100011216708_100000204269 [0,2,0,0,0,0|2,0,0]=4 16359 B13R0.147 COC(=O)CCCCOCCCCCl 34a_100000210776_100000204269 [0,2,0,0,0,0|2,0,0]=4 16360 B13R0.147 COC(=O)CCCCOCCCCCl 7a_100000210776_100000204269 [0,2,0,0,0,0|2,0,0]=4 16361 B13R0.147 COC(=O)CCCCOCCCCF 34a_100000059025_100000729493 [0,2,0,0,0,0|2,0,0]=4 16362 B13R0.147 COC(=O)CCCCOCCCCF 34a_100011995726_100000204269 [0,2,0,0,0,0|2,0,0]=4 16363 B13R0.147 COC(=O)CCCCOCCCCF 7a_100000059025_100000729493 [0,2,0,0,0,0|2,0,0]=4 16364 B13R0.147 COC(=O)CCCCOCCCCF 7a_100011995726_100000204269 [0,2,0,0,0,0|2,0,0]=4 16365 B13R0.147 COC(=O)CCCCOCCCCI 34a_200012148704_100000204269 [0,2,0,0,0,0|2,0,0]=4 16366 B13R0.147 COC(=O)CCCCOCCCCN 34a_100000750430_100000204269 [0,2,0,0,0,0|2,0,0]=4 16367 B13R0.147 COC(=O)CCCCOCCCCO 34a_100000059025_100011216708 [0,2,0,0,0,0|2,0,0]=4 16368 B13R0.147 COC(=O)CCCCOCCCCO 7a_100000059025_100000210776 [0,2,0,0,0,0|2,0,0]=4 16369 B13R0.147 COC(=O)CCCCOCCCSC 34a_100000690336_100000204269 [0,2,0,0,0,0|2,0,0]=4 16370 B13R0.147 COC(=O)CCCCOCCCSC 7a_100000690336_100000204269 [0,2,0,0,0,0|2,0,0]=4 16371 B13R0.147 COC(=O)CCCCSCCCC=O 62a_100000204269_200011292268 [0,2,0,0,0,0|1,0,1]=4 16372 B13R0.147 COC(=O)CCCCSCCCC=O 62a_200011292268_100000204269 [0,2,0,0,0,0|1,0,1]=4 16373 B13R0.147 COC(=O)CCCCSCCCCF 62a_100000204269_100000729493 [0,2,0,0,0,0|2,0,0]=4 16374 B13R0.147 COC(=O)CCCCSCCCCF 62a_100000729493_100000204269 [0,2,0,0,0,0|2,0,0]=4 16375 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000204269_100000210776 [0,2,0,0,0,0|2,0,0]=4 16376 B13R0.147 COC(=O)CCCCSCCCCO 62a_100000210776_100000204269 [0,2,0,0,0,0|2,0,0]=4 16377 B13R0.147 COC(=O)CCCNCCCCCO 2230a_100000762737_100011218270 [0,2,0,0,0,0|2,0,0]=4 16378 B13R0.147 COC(=O)CCCNCCCCCO 34a_100000762737_100000742333 [0,2,0,0,0,0|2,0,0]=4 16379 B13R0.147 COC(=O)CCCOCCCCCBr 34a_100000746331_100000742333 [0,2,0,0,0,0|2,0,0]=4 16380 B13R0.147 COC(=O)CCCOCCCCCBr 7a_100000746331_100011218270 [0,2,0,0,0,0|2,0,0]=4 16381 B13R0.147 COC(=O)CCCOCCCCCCl 34a_100000746330_100000742333 [0,2,0,0,0,0|2,0,0]=4 16382 B13R0.147 COC(=O)CCCOCCCCCCl 7a_100000746330_100011218270 [0,2,0,0,0,0|2,0,0]=4 16383 B13R0.147 COC(=O)CCCOCCCCCI 34a_200012148887_100000742333 [0,2,0,0,0,0|2,0,0]=4 16384 B13R0.147 COC(=O)CCCOCCCCCI 7a_200012148887_100011218270 [0,2,0,0,0,0|2,0,0]=4 16385 B13R0.147 COC(=O)CCCOCCCCCN 34a_100000762737_100000742333 [0,2,0,0,0,0|2,0,0]=4 16386 B13R0.147 COC(=O)CCCOCCCCSC 34a_100011217163_100000742333 [0,2,0,0,0,0|2,0,0]=4 16387 B13R0.147 COC(=O)CCCOCCCCSC 7a_100011217163_100011218270 [0,2,0,0,0,0|2,0,0]=4 16388 B13R0.147 COC(=O)CCCSCCCCC=O 62a_100000139335_100011218270 [0,2,0,0,0,0|1,0,1]=4 16389 B13R0.147 COC(=O)CCCSCCCCC=O 62a_100011218270_100000139335 [0,2,0,0,0,0|1,0,1]=4 16390 B13R0.147 COC(=O)CCCSCCCCCF 62a_100000729378_100011218270 [0,2,0,0,0,0|2,0,0]=4 16391 B13R0.147 COC(=O)CCCSCCCCCF 62a_100011218270_100000729378 [0,2,0,0,0,0|2,0,0]=4 16392 B13R0.147 COC(=O)CCCSCCCCCO 62a_100000746330_100011218270 [0,2,0,0,0,0|2,0,0]=4 16393 B13R0.147 COC(=O)CCCSCCCCCO 62a_100011218270_100000746330 [0,2,0,0,0,0|2,0,0]=4 16394 B13R0.147 COC(=O)CCNCCCCCCO 2230a_100000686447_100000204255 [0,2,0,0,0,0|2,0,0]=4 16395 B13R0.147 COC(=O)CCNCCCCCCO 34a_100000686447_100000742370 [0,2,0,0,0,0|2,0,0]=4 16396 B13R0.147 COC(=O)CCOCCCCCCBr 34a_100011215345_100000742370 [0,2,0,0,0,0|2,0,0]=4 16397 B13R0.147 COC(=O)CCOCCCCCCBr 7a_100011215345_100000204255 [0,2,0,0,0,0|2,0,0]=4 16398 B13R0.147 COC(=O)CCOCCCCCCCl 34a_100000766143_100000742370 [0,2,0,0,0,0|2,0,0]=4 16399 B13R0.147 COC(=O)CCOCCCCCCCl 7a_100000766143_100000204255 [0,2,0,0,0,0|2,0,0]=4 16400 B13R0.147 COC(=O)CCOCCCCCCF 34a_100000732779_100000742370 [0,2,0,0,0,0|2,0,0]=4 16401 B13R0.147 COC(=O)CCOCCCCCCF 7a_100000732779_100000204255 [0,2,0,0,0,0|2,0,0]=4 16402 B13R0.147 COC(=O)CCOCCCCCCN 34a_100000686447_100000742370 [0,2,0,0,0,0|2,0,0]=4 16403 B13R0.147 COC(=O)CCSCCCCCC=O 62a_100000139337_100000204255 [0,2,0,0,0,0|1,0,1]=4 16404 B13R0.147 COC(=O)CCSCCCCCC=O 62a_100000204255_100000139337 [0,2,0,0,0,0|1,0,1]=4 16405 B13R0.147 COC(=O)CCSCCCCCCF 62a_100000204255_100015922095 [0,2,0,0,0,0|2,0,0]=4 16406 B13R0.147 COC(=O)CCSCCCCCCF 62a_100015922095_100000204255 [0,2,0,0,0,0|2,0,0]=4 16407 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000204255_100000766143 [0,2,0,0,0,0|2,0,0]=4 16408 B13R0.147 COC(=O)CCSCCCCCCO 62a_100000766143_100000204255 [0,2,0,0,0,0|2,0,0]=4 16409 B13R0.147 COC(=O)CNCCCCCCCO 2230a_100011996573_100000747449 [0,2,0,0,0,0|2,0,0]=4 16410 B13R0.147 COC(=O)CNCCCCCCCO 34a_100011996573_100000747449 [0,2,0,0,0,0|2,0,0]=4 16411 B13R0.147 COC(=O)COCCCCCCCBr 34a_100000760002_100000747449 [0,2,0,0,0,0|2,0,0]=4 16412 B13R0.147 COC(=O)COCCCCCCCBr 7a_100000760002_100000747449 [0,2,0,0,0,0|2,0,0]=4 16413 B13R0.147 COC(=O)COCCCCCCCN 34a_100011996573_100000747449 [0,2,0,0,0,0|2,0,0]=4 16414 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000747449_100000760002 [0,2,0,0,0,0|2,0,0]=4 16415 B13R0.147 COC(=O)CSCCCCCCCO 62a_100000760002_100000747449 [0,2,0,0,0,0|2,0,0]=4 16416 B13R0.147 COC(C)CCOCCCCCC=O 7a_100000764861_100000139337 [0,2,0,0,0,0|1,0,0]=3 16417 B13R0.147 COCCCCCCCCC(=O)OC 34a_100000035544_200000210301 [0,2,0,0,0,0|1,0,0]=3 16418 B13R0.147 COCCCCCCCCC(=O)OC 34a_100138415774_100010282707 [0,2,0,0,0,0|1,0,0]=3 16419 B13R0.147 COCCCCCCCCC(=O)OC 7a_100000035544_200000210301 [0,2,0,0,0,0|1,0,0]=3 16420 B13R0.147 COCCCCCCOCC(=O)OC 34a_200012092642_100000747449 [0,2,0,0,0,0|2,0,0]=4 16421 B13R0.147 COCCCCCCOCC(=O)OC 7a_200012092642_100000747449 [0,2,0,0,0,0|2,0,0]=4 16422 B13R0.147 COCCCCCCSCC(=O)OC 62a_100000747449_100011998445 [0,2,0,0,0,0|2,0,0]=4 16423 B13R0.147 COCCCCCCSCC(=O)OC 62a_100011998445_100000747449 [0,2,0,0,0,0|2,0,0]=4 16424 B13R0.147 COCCCCCNCCC(=O)OC 2230a_100000747528_100000204255 [0,2,0,0,0,0|2,0,0]=4 16425 B13R0.147 COCCCCCNCCC(=O)OC 34a_100000747528_100000742370 [0,2,0,0,0,0|2,0,0]=4 16426 B13R0.147 COCCCCOCCCC(=O)NN 34a_100000211488_100000755781 [0,2,0,0,0,0|2,0,0]=4 16427 B13R0.147 COCCCCOCCCC(=O)OC 34a_100000740925_100000742333 [0,2,0,0,0,0|2,0,0]=4 16428 B13R0.147 COCCCCSCCCC(=O)OC 62a_100000730899_100011218270 [0,2,0,0,0,0|2,0,0]=4 16429 B13R0.147 COCCCCSCCCC(=O)OC 62a_100011218270_100000730899 [0,2,0,0,0,0|2,0,0]=4 16430 B13R0.147 COCCCNCCCCC(=O)OC 34a_100150723488_100000204269 [0,2,0,0,0,0|2,0,0]=4 16431 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000059025_100000740836 [0,2,0,0,0,0|2,0,0]=4 16432 B13R0.147 COCCCOCCCCC(=O)OC 34a_100000740835_100000204269 [0,2,0,0,0,0|2,0,0]=4 16433 B13R0.147 COCCCOCCCCC(=O)OC 7a_100000059025_100000740836 [0,2,0,0,0,0|2,0,0]=4 16434 B13R0.147 COCCCSCCCCC(=O)OC 62a_100000204269_100000709357 [0,2,0,0,0,0|2,0,0]=4 16435 B13R0.147 COCCCSCCCCC(=O)OC 62a_100000709357_100000204269 [0,2,0,0,0,0|2,0,0]=4 16436 B13R0.147 COCCNCCCCCC(=O)OC 2230a_100000209980_100009816466 [0,2,0,0,0,0|2,0,0]=4 16437 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000074720_100011201679 [0,2,0,0,0,0|2,0,0]=4 16438 B13R0.147 COCCOCCCCCC(=O)OC 34a_100000210237_100009816466 [0,2,0,0,0,0|2,0,0]=4 16439 B13R0.147 COCCOCCCCCC(=O)OC 7a_100000074720_100000233755 [0,2,0,0,0,0|2,0,0]=4 16440 B13R0.147 COCCSCCCCCC(=O)OC 62a_100000233755_100009816466 [0,2,0,0,0,0|2,0,0]=4 16441 B13R0.147 COCCSCCCCCC(=O)OC 62a_100009816466_100000233755 [0,2,0,0,0,0|2,0,0]=4 16442 B13R0.147 COCSCCCCCCC(=O)OC 62a_100000766300_100009815986 [0,2,0,0,0,0|2,0,0]=4 16443 B13R0.147 COCSCCCCCCC(=O)OC 62a_100009815986_100000766300 [0,2,0,0,0,0|2,0,0]=4 16444 B13R0.147 NNC(=O)CCCOCCCCCF 34a_100000211488_100000729378 [0,2,0,0,0,0|2,0,0]=4 16445 B13R0.147 NNC(=O)CCCOCCCCCO 34a_100000211488_100000746330 [0,2,0,0,0,0|2,0,0]=4 16446 B13R0.147 O=C(CF)CCCCCCCCCF 1458a_200009909015_100015361967 [0,2,0,0,0,0|1,0,0]=3 16447 B13R0.147 O=C(CO)CCCCCCCCCO 1458a_100000210174_100009813782 [0,2,0,0,0,0|1,0,0]=3 16448 B13R0.147 O=C(CO)NCCCCCCCCO 240690a_102515433106_100000210174 [0,2,0,0,0,0|2,0,0]=4 16449 B13R0.165 C#CCCCCC(=O)CCCCCC 1458a_100000696528_100000210757 [0,2,0,0,0,0|1,0,1]=4 16450 B13R0.165 C#CCCCCC(=O)CCCCCC 1458a_100102632555_100010269958 [0,2,0,0,0,0|1,0,1]=4 16451 B13R0.165 C#CCCCCN(C)CCCCCC 2230a_106256046315_100010269958 [0,2,0,0,0,0|1,0,1]=4 16452 B13R0.165 C#CCCCCN(C)CCCCCC 269982a_106256046315_100010269958 [0,2,0,0,0,0|1,0,1]=4 16453 B13R0.165 C#CCCCNC(C)CCCCCC 2230a_100000210919_100000731252 [0,2,0,0,0,0|1,0,1]=4 16454 B13R0.165 C#CCCCNC(C)CCCCCC 270004a_100000718082_100000210826 [0,2,0,0,0,0|1,0,1]=4 16455 B13R0.165 C#CCCCNC(C)CCCCCC 34a_100000210919_100000695029 [0,2,0,0,0,0|1,0,1]=4 16456 B13R0.165 C#CCCCNC(C)CCCCCC 34a_100000718082_100011215978 [0,2,0,0,0,0|1,0,1]=4 16457 B13R0.165 C#CCCCOC(C)CCCCCC 34a_100000210265_100000695029 [0,2,0,0,0,0|1,0,1]=4 16458 B13R0.165 C#CCCCOC(C)CCCCCC 34a_100000215630_100011215978 [0,2,0,0,0,0|1,0,1]=4 16459 B13R0.165 C#CCCCOC(C)CCCCCC 7a_100000210265_100011215417 [0,2,0,0,0,0|1,0,1]=4 16460 B13R0.165 C#CCCCOC(C)CCCCCC 7a_100000215630_100011215978 [0,2,0,0,0,0|1,0,1]=4 16461 B13R0.165 C#CCCCSC(C)CCCCCC 62a_100011215417_100011215978 [0,2,0,0,0,0|1,0,1]=4 16462 B13R0.165 C#CCCCSC(C)CCCCCC 62a_100011215978_100011215417 [0,2,0,0,0,0|1,0,1]=4 16463 B13R0.165 C#CCOCCC(C)CCCCCC 34a_200011024964_100000184674 [0,2,0,0,0,0|1,0,1]=4 16464 B13R0.165 C#CCOCCC(C)CCCCCC 7a_200011024964_100000038162 [0,2,0,0,0,0|1,0,1]=4 16465 B13R0.165 C/C=C/CCOC(C)CCCCCC 34a_100016278192_100011215978 [0,2,0,0,0,0|1,0,1]=4 16466 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100011215552_100000210757 [0,2,0,0,0,0|1,0,0]=3 16467 B13R0.165 C=CCCCCC(=O)CCCCCC 1458a_100102632555_100011215482 [0,2,0,0,0,0|1,0,0]=3 16468 B13R0.165 C=CCCCCC(=O)CCCCCF 1458a_100011215552_100000729378 [0,2,0,0,0,0|1,0,1]=4 16469 B13R0.165 C=CCCCCC(=O)CCCCCO 1458a_100011215552_100000746330 [0,2,0,0,0,0|1,0,1]=4 16470 B13R0.165 C=CCCCCC(=O)CCCCCO 1458a_100102619762_100011215482 [0,2,0,0,0,0|1,0,1]=4 16471 B13R0.165 C=CCCCCC(=O)CCCCOC 1458a_100011215552_100000755781 [0,2,0,0,0,0|1,0,1]=4 16472 B13R0.165 C=CCCCCC(=O)CCCOCC 1458a_100011215552_100012232248 [0,2,0,0,0,0|1,0,1]=4 16473 B13R0.165 C=CCCCCC(=O)CCOCCC 1458a_100011215552_100011215938 [0,2,0,0,0,0|1,0,1]=4 16474 B13R0.165 C=CCCCCC(=O)COCCCC 1458a_100000757543_100011215482 [0,2,0,0,0,0|1,0,1]=4 16475 B13R0.165 C=CCCCCC(=O)COCCCC 1458a_100011215552_100011995733 [0,2,0,0,0,0|1,0,1]=4 16476 B13R0.165 C=CCCCCC(=O)CSCCCC 1458a_100000191162_100011215482 [0,2,0,0,0,0|1,0,1]=4 16477 B13R0.165 C=CCCCCC(=O)NCCCCC 11a_100000209983_100011215552 [0,2,0,0,0,0|1,0,1]=4 16478 B13R0.165 C=CCCCCC(=O)NCCCCC 1626a_100000209983_100011215552 [0,2,0,0,0,0|1,0,1]=4 16479 B13R0.165 C=CCCCCC(=O)NCCCCC 240690a_100000209983_100011215552 [0,2,0,0,0,0|1,0,1]=4 16480 B13R0.165 C=CCCCCC(=O)NCCCCC 527a_100000209983_100011215552 [0,2,0,0,0,0|1,0,1]=4 16481 B13R0.165 C=CCCCCN(C)CCCCC=O 2230a_100012000471_100000139335 [0,2,0,0,0,0|0,0,2]=4 16482 B13R0.165 C=CCCCCN(C)CCCCC=O 269982a_100012000471_100000139335 [0,2,0,0,0,0|0,0,2]=4 16483 B13R0.165 C=CCCCCN(C)CCCCCC 2230a_100012000471_100000210314 [0,2,0,0,0,0|1,0,0]=3 16484 B13R0.165 C=CCCCCN(C)CCCCCC 2230a_106256046315_100011215482 [0,2,0,0,0,0|1,0,0]=3 16485 B13R0.165 C=CCCCCN(C)CCCCCC 269982a_100012000471_100000210757 [0,2,0,0,0,0|1,0,0]=3 16486 B13R0.165 C=CCCCCN(C)CCCCCC 269982a_106256046315_100011215482 [0,2,0,0,0,0|1,0,0]=3 16487 B13R0.165 C=CCCCCN(C)CCCCCF 2230a_100012000471_100000729378 [0,2,0,0,0,0|2,0,0]=4 16488 B13R0.165 C=CCCCCN(C)CCCCCF 269982a_100012000471_100000729378 [0,2,0,0,0,0|2,0,0]=4 16489 B13R0.165 C=CCCCCN(C)CCCCCO 2230a_100000722520_100011215482 [0,2,0,0,0,0|2,0,0]=4 16490 B13R0.165 C=CCCCCN(C)CCCCCO 2230a_100012000471_100000746330 [0,2,0,0,0,0|2,0,0]=4 16491 B13R0.165 C=CCCCCN(C)CCCCCO 269982a_100000722520_100011215482 [0,2,0,0,0,0|2,0,0]=4 16492 B13R0.165 C=CCCCCN(C)CCCCCO 269982a_100012000471_100000746330 [0,2,0,0,0,0|2,0,0]=4 16493 B13R0.165 C=CCCCCN(C)CCCCOC 2230a_100012000471_100000730899 [0,2,0,0,0,0|2,0,0]=4 16494 B13R0.165 C=CCCCCN(C)CCCCOC 269982a_100012000471_100000730899 [0,2,0,0,0,0|2,0,0]=4 16495 B13R0.165 C=CCCCCN(C)CCCOCC 2230a_100012000471_100012232248 [0,2,0,0,0,0|2,0,0]=4 16496 B13R0.165 C=CCCCCN(C)CCCOCC 269982a_100012000471_100012232248 [0,2,0,0,0,0|2,0,0]=4 16497 B13R0.165 C=CCCCCN(C)CCOCCC 2230a_100012000471_100011215938 [0,2,0,0,0,0|2,0,0]=4 16498 B13R0.165 C=CCCCCN(C)CCOCCC 269982a_100012000471_100011215938 [0,2,0,0,0,0|2,0,0]=4 16499 B13R0.165 C=CCCCCN(C)COCCCC 2230a_100012000471_100011995733 [0,2,0,0,0,0|2,0,0]=4 16500 B13R0.165 C=CCCCCN(C)COCCCC 269982a_100012000471_100011995733 [0,2,0,0,0,0|2,0,0]=4 16501 B13R0.165 C=CCCCNC(=O)CCCCCC 11a_100000700776_100102632555 [0,2,0,0,0,0|1,0,1]=4 16502 B13R0.165 C=CCCCNC(=O)CCCCCC 1626a_100000700776_100102632555 [0,2,0,0,0,0|1,0,1]=4 16503 B13R0.165 C=CCCCNC(=O)CCCCCC 240690a_100000700776_100102632555 [0,2,0,0,0,0|1,0,1]=4 16504 B13R0.165 C=CCCCNC(=O)CCCCCC 527a_100000700776_100102632555 [0,2,0,0,0,0|1,0,1]=4 16505 B13R0.165 C=CCCCNC(C)CCCCCC 2230a_100000210919_100011713584 [0,2,0,0,0,0|1,0,0]=3 16506 B13R0.165 C=CCCCNC(C)CCCCCC 2230a_100000700776_100011215978 [0,2,0,0,0,0|1,0,0]=3 16507 B13R0.165 C=CCCCNC(C)CCCCCC 270004a_100000700776_100000210826 [0,2,0,0,0,0|1,0,0]=3 16508 B13R0.165 C=CCCCNC(C)CCCCCC 34a_100000210919_100000757094 [0,2,0,0,0,0|1,0,0]=3 16509 B13R0.165 C=CCCCNC(C)CCCCCC 34a_100000700776_100011215978 [0,2,0,0,0,0|1,0,0]=3 16510 B13R0.165 C=CCCCOC(C)CCCCCC 34a_100000210265_100000757094 [0,2,0,0,0,0|1,0,0]=3 16511 B13R0.165 C=CCCCOC(C)CCCCCC 34a_100000758997_100011215978 [0,2,0,0,0,0|1,0,0]=3 16512 B13R0.165 C=CCCCOC(C)CCCCCC 7a_100000210265_100000757094 [0,2,0,0,0,0|1,0,0]=3 16513 B13R0.165 C=CCCCOC(C)CCCCCC 7a_100000758997_100011215978 [0,2,0,0,0,0|1,0,0]=3 16514 B13R0.165 C=CCCCOC(C)COCCCC 34a_100011217071_100000757094 [0,2,0,0,0,0|2,0,0]=4 16515 B13R0.165 C=CCCCOC(C)COCCCC 7a_100011217071_100000757094 [0,2,0,0,0,0|2,0,0]=4 16516 B13R0.165 C=CCOCCC(=O)CCCCCC 1458a_200011217002_100000210757 [0,2,0,0,0,0|1,0,1]=4 16517 B13R0.165 C=CCOCCC(C)CCCCCC 34a_200011024964_100015514636 [0,2,0,0,0,0|1,0,0]=3 16518 B13R0.165 C=CCOCCC(C)CCCCCC 7a_200011024964_100015514636 [0,2,0,0,0,0|1,0,0]=3 16519 B13R0.165 C=COCCNC(C)CCCCCC 2230a_100000210919_100000039644 [0,2,0,0,0,0|2,0,0]=4 16520 B13R0.165 C=COCCNC(C)CCCCCC 34a_100000210919_100000039644 [0,2,0,0,0,0|2,0,0]=4 16521 B13R0.165 C=COCCOC(C)CCCCCC 34a_100000033082_100011215978 [0,2,0,0,0,0|2,0,0]=4 16522 B13R0.165 C=COCCOC(C)CCCCCC 34a_100000210265_100000039644 [0,2,0,0,0,0|2,0,0]=4 16523 B13R0.165 C=COCCOC(C)CCCCCC 7a_100000210265_100000039644 [0,2,0,0,0,0|2,0,0]=4 16524 B13R0.165 C=COCCSC(C)CCCCCC 62a_100000039644_100011215978 [0,2,0,0,0,0|2,0,0]=4 16525 B13R0.165 C=COCCSC(C)CCCCCC 62a_100011215978_100000039644 [0,2,0,0,0,0|2,0,0]=4 16526 B13R0.165 CCCCCCC(=O)CCCCC#N 1458a_100102632555_100000211819 [0,2,0,0,0,0|1,0,1]=4 16527 B13R0.165 CCCCCCC(=O)CCCCCC 1458a_100102632555_100000210757 [0,2,0,0,0,0|1,0,1]=4 16528 B13R0.165 CCCCCCC(=O)CCCCCF 1458a_100102632555_100000729378 [0,2,0,0,0,0|1,0,1]=4 16529 B13R0.165 CCCCCCC(=O)CCCCCO 1458a_100102619762_100000210757 [0,2,0,0,0,0|0,0,2]=4 16530 B13R0.165 CCCCCCC(=O)CCCCCO 1458a_100102632555_100000746330 [0,2,0,0,0,0|0,0,2]=4 16531 B13R0.165 CCCCCCC(=O)CCCCOC 1458a_100102632555_100000755781 [0,2,0,0,0,0|2,0,0]=4 16532 B13R0.165 CCCCCCC(C)CCOCC#N 7a_200011024964_100011215382 [0,2,0,0,0,0|1,0,1]=4 16533 B13R0.165 CCCCCCC(C)CCOCC=O 34a_200011024964_200009817547 [0,2,0,0,0,0|0,0,0]=2 16534 B13R0.165 CCCCCCC(C)CCOCC=O 7a_200011024964_200015260668 [0,2,0,0,0,0|0,0,0]=2 16535 B13R0.165 CCCCCCC(C)CCOCCC 34a_200011024964_100000210303 [0,2,0,0,0,0|1,0,1]=4 16536 B13R0.165 CCCCCCC(C)CCOCCC 7a_200011024964_100000210303 [0,2,0,0,0,0|1,0,1]=4 16537 B13R0.165 CCCCCCC(C)CCOCCF 34a_200011024964_100011217306 [0,2,0,0,0,0|1,0,1]=4 16538 B13R0.165 CCCCCCC(C)CCOCCF 7a_200011024964_100011217306 [0,2,0,0,0,0|1,0,1]=4 16539 B13R0.165 CCCCCCC(C)CCOCCO 34a_200011024964_100000211926 [0,2,0,0,0,0|0,0,2]=4 16540 B13R0.165 CCCCCCC(C)CCOCCO 7a_200011024964_100000211926 [0,2,0,0,0,0|0,0,2]=4 16541 B13R0.165 CCCCCCC(C)CCOCSC 34a_200011024964_100011218213 [0,2,0,0,0,0|2,0,0]=4 16542 B13R0.165 CCCCCCC(C)NCCCC#N 2230a_100000210919_100000687738 [0,2,0,0,0,0|1,0,1]=4 16543 B13R0.165 CCCCCCC(C)NCCCC=O 2230a_100000210919_200011292268 [0,2,0,0,0,0|0,0,0]=2 16544 B13R0.165 CCCCCCC(C)NCCCCC 2230a_100000209983_100011215978 [0,2,0,0,0,0|1,0,1]=4 16545 B13R0.165 CCCCCCC(C)NCCCCC 2230a_100000210919_100000210326 [0,2,0,0,0,0|1,0,1]=4 16546 B13R0.165 CCCCCCC(C)NCCCCC 270004a_100000209983_100000210826 [0,2,0,0,0,0|1,0,1]=4 16547 B13R0.165 CCCCCCC(C)NCCCCC 34a_100000210919_100000718602 [0,2,0,0,0,0|1,0,1]=4 16548 B13R0.165 CCCCCCC(C)NCCCCF 2230a_100000210919_100000729493 [0,2,0,0,0,0|1,0,1]=4 16549 B13R0.165 CCCCCCC(C)NCCCCF 34a_100000210919_100000729493 [0,2,0,0,0,0|1,0,1]=4 16550 B13R0.165 CCCCCCC(C)NCCCCO 2230a_100000210919_100000210776 [0,2,0,0,0,0|0,0,2]=4 16551 B13R0.165 CCCCCCC(C)NCCCCO 2230a_100000750430_100011215978 [0,2,0,0,0,0|0,0,2]=4 16552 B13R0.165 CCCCCCC(C)NCCCCO 270004a_100000750430_100000210826 [0,2,0,0,0,0|0,0,2]=4 16553 B13R0.165 CCCCCCC(C)NCCCCO 34a_100000210919_100011216708 [0,2,0,0,0,0|0,0,2]=4 16554 B13R0.165 CCCCCCC(C)NCCCCO 34a_100000750430_100011215978 [0,2,0,0,0,0|0,0,2]=4 16555 B13R0.165 CCCCCCC(C)NCCCOC 2230a_100000210919_100000740836 [0,2,0,0,0,0|2,0,0]=4 16556 B13R0.165 CCCCCCC(C)NCCCOC 270004a_100150723488_100000210826 [0,2,0,0,0,0|2,0,0]=4 16557 B13R0.165 CCCCCCC(C)NCCCOC 34a_100000210919_100000740836 [0,2,0,0,0,0|2,0,0]=4 16558 B13R0.165 CCCCCCC(C)NCCCOC 34a_100150723488_100011215978 [0,2,0,0,0,0|2,0,0]=4 16559 B13R0.165 CCCCCCC(C)NCCCSC 2230a_100000749238_100011215978 [0,2,0,0,0,0|2,0,0]=4 16560 B13R0.165 CCCCCCC(C)NCCCSC 270004a_100000749238_100000210826 [0,2,0,0,0,0|2,0,0]=4 16561 B13R0.165 CCCCCCC(C)OCCCC#N 7a_100000210265_100000687738 [0,2,0,0,0,0|1,0,1]=4 16562 B13R0.165 CCCCCCC(C)OCCCC=O 7a_100000210265_200011292268 [0,2,0,0,0,0|0,0,0]=2 16563 B13R0.165 CCCCCCC(C)OCCCCBr 34a_100011216708_100011215978 [0,2,0,0,0,0|1,0,1]=4 16564 B13R0.165 CCCCCCC(C)OCCCCC 34a_100000210253_100011215978 [0,2,0,0,0,0|1,0,1]=4 16565 B13R0.165 CCCCCCC(C)OCCCCC 34a_100000210265_100000718602 [0,2,0,0,0,0|1,0,1]=4 16566 B13R0.165 CCCCCCC(C)OCCCCC 7a_100000210253_100011215978 [0,2,0,0,0,0|1,0,1]=4 16567 B13R0.165 CCCCCCC(C)OCCCCC 7a_100000210265_100000210326 [0,2,0,0,0,0|1,0,1]=4 16568 B13R0.165 CCCCCCC(C)OCCCCCl 34a_100000210776_100011215978 [0,2,0,0,0,0|1,0,1]=4 16569 B13R0.165 CCCCCCC(C)OCCCCCl 7a_100000210776_100011215978 [0,2,0,0,0,0|1,0,1]=4 16570 B13R0.165 CCCCCCC(C)OCCCCF 34a_100000210265_100000729493 [0,2,0,0,0,0|1,0,1]=4 16571 B13R0.165 CCCCCCC(C)OCCCCF 34a_100011995726_100011215978 [0,2,0,0,0,0|1,0,1]=4 16572 B13R0.165 CCCCCCC(C)OCCCCF 7a_100000210265_100000729493 [0,2,0,0,0,0|1,0,1]=4 16573 B13R0.165 CCCCCCC(C)OCCCCF 7a_100011995726_100011215978 [0,2,0,0,0,0|1,0,1]=4 16574 B13R0.165 CCCCCCC(C)OCCCCI 34a_200012148704_100011215978 [0,2,0,0,0,0|1,0,1]=4 16575 B13R0.165 CCCCCCC(C)OCCCCN 34a_100000750430_100011215978 [0,2,0,0,0,0|1,0,1]=4 16576 B13R0.165 CCCCCCC(C)OCCCCO 34a_100000210265_100011216708 [0,2,0,0,0,0|0,0,2]=4 16577 B13R0.165 CCCCCCC(C)OCCCCO 7a_100000210265_100000210776 [0,2,0,0,0,0|0,0,2]=4 16578 B13R0.165 CCCCCCC(C)OCCCNC 34a_100000213112_100011215978 [0,2,0,0,0,0|2,0,0]=4 16579 B13R0.165 CCCCCCC(C)OCCCOC 34a_100000210265_100000740836 [0,2,0,0,0,0|2,0,0]=4 16580 B13R0.165 CCCCCCC(C)OCCCOC 34a_100000740835_100011215978 [0,2,0,0,0,0|2,0,0]=4 16581 B13R0.165 CCCCCCC(C)OCCCOC 7a_100000210265_100000740836 [0,2,0,0,0,0|2,0,0]=4 16582 B13R0.165 CCCCCCC(C)OCCCSC 34a_100000690336_100011215978 [0,2,0,0,0,0|2,0,0]=4 16583 B13R0.165 CCCCCCC(C)OCCCSC 7a_100000690336_100011215978 [0,2,0,0,0,0|2,0,0]=4 16584 B13R0.165 CCCCCCC(C)SCCCC#N 62a_100000687738_100011215978 [0,2,0,0,0,0|1,0,1]=4 16585 B13R0.165 CCCCCCC(C)SCCCC#N 62a_100011215978_100000687738 [0,2,0,0,0,0|1,0,1]=4 16586 B13R0.165 CCCCCCC(C)SCCCC=O 62a_100011215978_200011292268 [0,2,0,0,0,0|0,0,0]=2 16587 B13R0.165 CCCCCCC(C)SCCCC=O 62a_200011292268_100011215978 [0,2,0,0,0,0|0,0,0]=2 16588 B13R0.165 CCCCCCC(C)SCCCCF 62a_100000729493_100011215978 [0,2,0,0,0,0|1,0,1]=4 16589 B13R0.165 CCCCCCC(C)SCCCCF 62a_100011215978_100000729493 [0,2,0,0,0,0|1,0,1]=4 16590 B13R0.165 CCCCCCC(C)SCCCCO 62a_100000210776_100011215978 [0,2,0,0,0,0|0,0,2]=4 16591 B13R0.165 CCCCCCC(C)SCCCCO 62a_100011215978_100000210776 [0,2,0,0,0,0|0,0,2]=4 16592 B13R0.165 CCCCCCC(C)SCCCOC 62a_100000709357_100011215978 [0,2,0,0,0,0|2,0,0]=4 16593 B13R0.165 CCCCCCC(C)SCCCOC 62a_100011215978_100000709357 [0,2,0,0,0,0|2,0,0]=4 16594 B13R0.165 CCCCCCN(C)CCCCC#N 2230a_106256046315_100000211819 [0,2,0,0,0,0|1,0,1]=4 16595 B13R0.165 CCCCCCN(C)CCCCC#N 269982a_106256046315_100011219923 [0,2,0,0,0,0|1,0,1]=4 16596 B13R0.165 CCCCCCN(C)CCCCC=O 2230a_106256046315_100000139335 [0,2,0,0,0,0|0,0,0]=2 16597 B13R0.165 CCCCCCN(C)CCCCC=O 269982a_106256046315_100000139335 [0,2,0,0,0,0|0,0,0]=2 16598 B13R0.165 CCCCCCN(C)CCCCCC 2230a_100000210582_200000210301 [0,2,0,0,0,0|1,0,1]=4 16599 B13R0.165 CCCCCCN(C)CCCCCC 2230a_106256046315_100000210314 [0,2,0,0,0,0|1,0,1]=4 16600 B13R0.165 CCCCCCN(C)CCCCCC 269982a_100000210582_200000210301 [0,2,0,0,0,0|1,0,1]=4 16601 B13R0.165 CCCCCCN(C)CCCCCC 269982a_106256046315_100000210757 [0,2,0,0,0,0|1,0,1]=4 16602 B13R0.165 CCCCCCN(C)CCCCCF 2230a_106256046315_100000729378 [0,2,0,0,0,0|1,0,1]=4 16603 B13R0.165 CCCCCCN(C)CCCCCF 269982a_106256046315_100000729378 [0,2,0,0,0,0|1,0,1]=4 16604 B13R0.165 CCCCCCN(C)CCCCCO 2230a_100000722520_100000210314 [0,2,0,0,0,0|0,0,2]=4 16605 B13R0.165 CCCCCCN(C)CCCCCO 2230a_106256046315_100000746330 [0,2,0,0,0,0|0,0,2]=4 16606 B13R0.165 CCCCCCN(C)CCCCCO 269982a_100000722520_100000210757 [0,2,0,0,0,0|0,0,2]=4 16607 B13R0.165 CCCCCCN(C)CCCCCO 269982a_106256046315_100000746330 [0,2,0,0,0,0|0,0,2]=4 16608 B13R0.165 CCCCCCN(C)CCCCOC 2230a_106256046315_100000730899 [0,2,0,0,0,0|2,0,0]=4 16609 B13R0.165 CCCCCCN(C)CCCCOC 269982a_106256046315_100000730899 [0,2,0,0,0,0|2,0,0]=4 16610 B13R0.165 CCCCCCN([13CH3])CCCCCC 2230a_100000210582_200025704644 [0,2,0,0,0,0|1,0,1]=4 16611 B13R0.165 CCCCCCN([13CH3])CCCCCC 269982a_100000210582_200025704644 [0,2,0,0,0,0|1,0,1]=4 16612 B13R0.165 CCCCOCC(C)OCCCC=O 7a_100011217071_200011292268 [0,2,0,0,0,0|1,0,0]=3 16613 B13R0.165 CN(CCCCC=O)CCCCCO 2230a_100000722520_100000139335 [0,2,0,0,0,0|1,0,0]=3 16614 B13R0.165 CN(CCCCC=O)CCCCCO 269982a_100000722520_100000139335 [0,2,0,0,0,0|1,0,0]=3 16615 B13R0.165 CN(CCCCC=O)CCOCCO 2230a_100000228057_100000139335 [0,2,0,0,0,0|2,0,0]=4 16616 B13R0.165 CN(CCCCC=O)CCOCCO 269982a_100000228057_100000139335 [0,2,0,0,0,0|2,0,0]=4 16617 B13R0.336 C#CCCCCCCCCCCOC 34a_100000054667_200000210301 [0,2,0,0,0,0|1,0,1]=4 16618 B13R0.336 C#CCCCCCCCCCCOC 7a_100000054667_200000210301 [0,2,0,0,0,0|1,0,1]=4 16619 B13R0.336 C#CCCCCCCCCCCO[13CH3] 34a_100000054667_200025704644 [0,2,0,0,0,0|1,0,1]=4 16620 B13R0.336 C#CCCCCCCCCCCO[13CH3] 7a_100000054667_200025704644 [0,2,0,0,0,0|1,0,1]=4 16621 B13R0.336 C#CCCCCCCCCCOCC 34a_100000034437_100000210202 [0,2,0,0,0,0|1,0,1]=4 16622 B13R0.336 C#CCCCCCCCCCOCC 7a_100000034437_100000210202 [0,2,0,0,0,0|1,0,1]=4 16623 B13R0.336 C#CCCCCCCCCCOCF 34a_100000034437_100015361967 [0,2,0,0,0,0|1,0,1]=4 16624 B13R0.336 C#CCCCCCCCCCOCF 7a_100000034437_100015361967 [0,2,0,0,0,0|1,0,1]=4 16625 B13R0.336 C#CCCCCCCCCOCC=C 34a_100000065265_100015514636 [0,2,0,0,0,0|1,0,1]=4 16626 B13R0.336 C#CCCCCCCCCOCC=C 7a_100000065265_100015514636 [0,2,0,0,0,0|1,0,1]=4 16627 B13R0.336 C#CCCCCCCCCOCC=O 34a_100000065265_200009817547 [0,2,0,0,0,0|0,0,1]=3 16628 B13R0.336 C#CCCCCCCCCOCC=O 7a_100000065265_200015260668 [0,2,0,0,0,0|0,0,1]=3 16629 B13R0.336 C#CCCCCCCCCOCCC 34a_100000065265_100000210303 [0,2,0,0,0,0|1,0,1]=4 16630 B13R0.336 C#CCCCCCCCCOCCC 7a_100000065265_100000210303 [0,2,0,0,0,0|1,0,1]=4 16631 B13R0.336 C#CCCCCCCCCOCCF 34a_100000065265_100011217306 [0,2,0,0,0,0|1,0,1]=4 16632 B13R0.336 C#CCCCCCCCCOCCF 7a_100000065265_100011217306 [0,2,0,0,0,0|1,0,1]=4 16633 B13R0.336 C#CCCCCCCCCOCCO 34a_100000065265_100000211926 [0,2,0,0,0,0|1,0,1]=4 16634 B13R0.336 C#CCCCCCCCCOCCO 7a_100000065265_100000211926 [0,2,0,0,0,0|1,0,1]=4 16635 B13R0.336 C#CCCCCCCCCOCSC 34a_100000065265_100011218213 [0,2,0,0,0,0|1,0,1]=4 16636 B13R0.336 C#CCCCCCCCNCCC=C 2230a_100015191253_100153394163 [0,2,0,0,0,0|1,0,1]=4 16637 B13R0.336 C#CCCCCCCCNCCCC 2230a_100000102301_100153394163 [0,2,0,0,0,0|1,0,1]=4 16638 B13R0.336 C#CCCCCCCCNCCCC 7a_106832991798_100153394163 [0,2,0,0,0,0|1,0,1]=4 16639 B13R0.336 C#CCCCCCCCNCCCF 2230a_100015189416_100153394163 [0,2,0,0,0,0|1,0,1]=4 16640 B13R0.336 C#CCCCCCCCNCCCF 34a_100015189416_100153394163 [0,2,0,0,0,0|1,0,1]=4 16641 B13R0.336 C#CCCCCCCCNCCOC 2230a_100000209980_100153394163 [0,2,0,0,0,0|1,0,1]=4 16642 B13R0.336 C#CCCCCCCCNCCSC 2230a_100020590264_100153394163 [0,2,0,0,0,0|1,0,1]=4 16643 B13R0.336 C#CCCCCCCCOCCC=C 34a_100000054614_100000754431 [0,2,0,0,0,0|1,0,1]=4 16644 B13R0.336 C#CCCCCCCCOCCC=C 34a_100011205117_100153394163 [0,2,0,0,0,0|1,0,1]=4 16645 B13R0.336 C#CCCCCCCCOCCC=C 7a_100000054614_100000754431 [0,2,0,0,0,0|1,0,1]=4 16646 B13R0.336 C#CCCCCCCCOCCCBr 34a_100011217188_100153394163 [0,2,0,0,0,0|1,0,1]=4 16647 B13R0.336 C#CCCCCCCCOCCCC 34a_100000054614_100000210210 [0,2,0,0,0,0|1,0,1]=4 16648 B13R0.336 C#CCCCCCCCOCCCC 34a_100000210227_100153394163 [0,2,0,0,0,0|1,0,1]=4 16649 B13R0.336 C#CCCCCCCCOCCCC 7a_100000054614_100000210211 [0,2,0,0,0,0|1,0,1]=4 16650 B13R0.336 C#CCCCCCCCOCCCC 7a_100000210227_100153394163 [0,2,0,0,0,0|1,0,1]=4 16651 B13R0.336 C#CCCCCCCCOCCCCl 34a_100000230001_100153394163 [0,2,0,0,0,0|1,0,1]=4 16652 B13R0.336 C#CCCCCCCCOCCCF 34a_100000054614_100011934791 [0,2,0,0,0,0|1,0,1]=4 16653 B13R0.336 C#CCCCCCCCOCCCF 34a_100000759539_100153394163 [0,2,0,0,0,0|1,0,1]=4 16654 B13R0.336 C#CCCCCCCCOCCCF 7a_100000054614_100011934791 [0,2,0,0,0,0|1,0,1]=4 16655 B13R0.336 C#CCCCCCCCOCCCN 34a_100000182051_100153394163 [0,2,0,0,0,0|1,0,1]=4 16656 B13R0.336 C#CCCCCCCCOCCCO 34a_100000054614_100000230001 [0,2,0,0,0,0|1,0,1]=4 16657 B13R0.336 C#CCCCCCCCOCCCO 7a_100000054614_100011215043 [0,2,0,0,0,0|1,0,1]=4 16658 B13R0.336 C#CCCCCCCCOCCOC 34a_100000054614_100011201679 [0,2,0,0,0,0|1,0,1]=4 16659 B13R0.336 C#CCCCCCCCOCCOC 34a_100000210237_100153394163 [0,2,0,0,0,0|1,0,1]=4 16660 B13R0.336 C#CCCCCCCCOCCOC 7a_100000054614_100000233755 [0,2,0,0,0,0|1,0,1]=4 16661 B13R0.336 C#CCCCCCCCOCCSC 34a_100000054614_100000212216 [0,2,0,0,0,0|1,0,1]=4 16662 B13R0.336 C#CCCCCCCCOCCSC 34a_100000230434_100153394163 [0,2,0,0,0,0|1,0,1]=4 16663 B13R0.336 C#CCCCCCCCOCCSC 7a_100000054614_100000212216 [0,2,0,0,0,0|1,0,1]=4 16664 B13R0.336 C#CCCCCCCCOCCSC 7a_100000230434_100153394163 [0,2,0,0,0,0|1,0,1]=4 16665 B13R0.336 C#CCCCCCCCSCCC=C 62a_100000754431_100153394163 [0,2,0,0,0,0|1,0,1]=4 16666 B13R0.336 C#CCCCCCCCSCCC=C 62a_100153394163_100000754431 [0,2,0,0,0,0|1,0,1]=4 16667 B13R0.336 C#CCCCCCCCSCCCC 62a_100000210211_100153394163 [0,2,0,0,0,0|1,0,1]=4 16668 B13R0.336 C#CCCCCCCCSCCCC 62a_100153394163_100000210210 [0,2,0,0,0,0|1,0,1]=4 16669 B13R0.336 C#CCCCCCCCSCCCF 62a_100011934791_100153394163 [0,2,0,0,0,0|1,0,1]=4 16670 B13R0.336 C#CCCCCCCCSCCCF 62a_100153394163_100011934791 [0,2,0,0,0,0|1,0,1]=4 16671 B13R0.336 C#CCCCCCCCSCCCO 62a_100011215043_100153394163 [0,2,0,0,0,0|1,0,1]=4 16672 B13R0.336 C#CCCCCCCCSCCCO 62a_100153394163_100011215043 [0,2,0,0,0,0|1,0,1]=4 16673 B13R0.336 C#CCCCCCCCSCCOC 62a_100000233755_100153394163 [0,2,0,0,0,0|1,0,1]=4 16674 B13R0.336 C#CCCCCCCCSCCOC 62a_100153394163_100000233755 [0,2,0,0,0,0|1,0,1]=4 16675 B13R0.336 C#CCCCCCCCSCCSC 62a_100000212216_100153394163 [0,2,0,0,0,0|1,0,1]=4 16676 B13R0.336 C#CCCCCCCCSCCSC 62a_100153394163_100000751147 [0,2,0,0,0,0|1,0,1]=4 16677 B13R0.336 C#CCCCCCCCSCOCC 62a_100000739092_100153394163 [0,2,0,0,0,0|1,0,1]=4 16678 B13R0.336 C#CCCCCCCCSCOCC 62a_100153394163_100000739092 [0,2,0,0,0,0|1,0,1]=4 16679 B13R0.336 C#CCCCCCCNCCCC=C 2230a_100000700776_100012276617 [0,2,0,0,0,0|1,0,1]=4 16680 B13R0.336 C#CCCCCCCNCCCC=C 34a_100000700776_100012276617 [0,2,0,0,0,0|1,0,1]=4 16681 B13R0.336 C#CCCCCCCNCCCCC 2230a_100000209983_100012276617 [0,2,0,0,0,0|1,0,1]=4 16682 B13R0.336 C#CCCCCCCNCCCCO 2230a_100000750430_100012276617 [0,2,0,0,0,0|1,0,1]=4 16683 B13R0.336 C#CCCCCCCNCCCCO 34a_100000750430_100012276617 [0,2,0,0,0,0|1,0,1]=4 16684 B13R0.336 C#CCCCCCCNCCCOC 34a_100150723488_100012276617 [0,2,0,0,0,0|1,0,1]=4 16685 B13R0.336 C#CCCCCCCNCCCSC 2230a_100000749238_100012276617 [0,2,0,0,0,0|1,0,1]=4 16686 B13R0.336 C#CCCCCCCNCCOCC 2230a_102516460346_100012276617 [0,2,0,0,0,0|1,0,1]=4 16687 B13R0.336 C#CCCCCCCNCCOCC 34a_102516460346_100012276617 [0,2,0,0,0,0|1,0,1]=4 16688 B13R0.336 C#CCCCCCCNCCSCC 2230a_100000106463_100012276617 [0,2,0,0,0,0|1,0,1]=4 16689 B13R0.336 C#CCCCCCCOCCCC=C 34a_100000758997_100012276617 [0,2,0,0,0,0|1,0,1]=4 16690 B13R0.336 C#CCCCCCCOCCCC=C 34a_100011217361_100000757094 [0,2,0,0,0,0|1,0,1]=4 16691 B13R0.336 C#CCCCCCCOCCCC=C 7a_100000758997_100012276617 [0,2,0,0,0,0|1,0,1]=4 16692 B13R0.336 C#CCCCCCCOCCCC=C 7a_100011217361_100000757094 [0,2,0,0,0,0|1,0,1]=4 16693 B13R0.336 C#CCCCCCCOCCCC=O 7a_100011217361_200011292268 [0,2,0,0,0,0|0,0,1]=3 16694 B13R0.336 C#CCCCCCCOCCCCBr 34a_100011216708_100012276617 [0,2,0,0,0,0|1,0,1]=4 16695 B13R0.336 C#CCCCCCCOCCCCC 34a_100000210253_100012276617 [0,2,0,0,0,0|1,0,1]=4 16696 B13R0.336 C#CCCCCCCOCCCCC 34a_100011217361_100000718602 [0,2,0,0,0,0|1,0,1]=4 16697 B13R0.336 C#CCCCCCCOCCCCC 7a_100000210253_100012276617 [0,2,0,0,0,0|1,0,1]=4 16698 B13R0.336 C#CCCCCCCOCCCCC 7a_100011217361_100000210326 [0,2,0,0,0,0|1,0,1]=4 16699 B13R0.336 C#CCCCCCCOCCCCCl 34a_100000210776_100012276617 [0,2,0,0,0,0|1,0,1]=4 16700 B13R0.336 C#CCCCCCCOCCCCCl 7a_100000210776_100012276617 [0,2,0,0,0,0|1,0,1]=4 16701 B13R0.336 C#CCCCCCCOCCCCF 34a_100011217361_100000729493 [0,2,0,0,0,0|1,0,1]=4 16702 B13R0.336 C#CCCCCCCOCCCCF 34a_100011995726_100012276617 [0,2,0,0,0,0|1,0,1]=4 16703 B13R0.336 C#CCCCCCCOCCCCF 7a_100011217361_100000729493 [0,2,0,0,0,0|1,0,1]=4 16704 B13R0.336 C#CCCCCCCOCCCCF 7a_100011995726_100012276617 [0,2,0,0,0,0|1,0,1]=4 16705 B13R0.336 C#CCCCCCCOCCCCI 34a_200012148704_100012276617 [0,2,0,0,0,0|1,0,1]=4 16706 B13R0.336 C#CCCCCCCOCCCCN 34a_100000750430_100012276617 [0,2,0,0,0,0|1,0,1]=4 16707 B13R0.336 C#CCCCCCCOCCCCO 34a_100011217361_100011216708 [0,2,0,0,0,0|1,0,1]=4 16708 B13R0.336 C#CCCCCCCOCCCCO 7a_100011217361_100000210776 [0,2,0,0,0,0|1,0,1]=4 16709 B13R0.336 C#CCCCCCCOCCCNC 34a_100000213112_100012276617 [0,2,0,0,0,0|1,0,1]=4 16710 B13R0.336 C#CCCCCCCOCCCOC 34a_100000740835_100012276617 [0,2,0,0,0,0|1,0,1]=4 16711 B13R0.336 C#CCCCCCCOCCCOC 34a_100011217361_100000740836 [0,2,0,0,0,0|1,0,1]=4 16712 B13R0.336 C#CCCCCCCOCCCOC 7a_100011217361_100000740836 [0,2,0,0,0,0|1,0,1]=4 16713 B13R0.336 C#CCCCCCCOCCCSC 34a_100000690336_100012276617 [0,2,0,0,0,0|1,0,1]=4 16714 B13R0.336 C#CCCCCCCOCCCSC 7a_100000690336_100012276617 [0,2,0,0,0,0|1,0,1]=4 16715 B13R0.336 C#CCCCCCCOCCOCC 34a_100000210136_100012276617 [0,2,0,0,0,0|1,0,1]=4 16716 B13R0.336 C#CCCCCCCOCCOCC 34a_100011217361_100000210147 [0,2,0,0,0,0|1,0,1]=4 16717 B13R0.336 C#CCCCCCCOCCOCC 7a_100000210136_100012276617 [0,2,0,0,0,0|1,0,1]=4 16718 B13R0.336 C#CCCCCCCOCCOCC 7a_100011217361_100011215890 [0,2,0,0,0,0|1,0,1]=4 16719 B13R0.336 C#CCCCCCCOCCSCC 34a_100000212035_100012276617 [0,2,0,0,0,0|1,0,1]=4 16720 B13R0.336 C#CCCCCCCOCCSCC 34a_100011217361_100000757381 [0,2,0,0,0,0|1,0,1]=4 16721 B13R0.336 C#CCCCCCCOCCSCC 7a_100000212035_100012276617 [0,2,0,0,0,0|1,0,1]=4 16722 B13R0.336 C#CCCCCCCOCCSCC 7a_100011217361_100000757381 [0,2,0,0,0,0|1,0,1]=4 16723 B13R0.336 C#CCCCCCCSCCCC=C 62a_100011713584_100012276617 [0,2,0,0,0,0|1,0,1]=4 16724 B13R0.336 C#CCCCCCCSCCCC=C 62a_100012276617_100000757094 [0,2,0,0,0,0|1,0,1]=4 16725 B13R0.336 C#CCCCCCCSCCCC=O 62a_100012276617_200011292268 [0,2,0,0,0,0|0,0,1]=3 16726 B13R0.336 C#CCCCCCCSCCCC=O 62a_200011292268_100012276617 [0,2,0,0,0,0|0,0,1]=3 16727 B13R0.336 C#CCCCCCCSCCCCC 62a_100000210326_100012276617 [0,2,0,0,0,0|1,0,1]=4 16728 B13R0.336 C#CCCCCCCSCCCCC 62a_100012276617_100000210326 [0,2,0,0,0,0|1,0,1]=4 16729 B13R0.336 C#CCCCCCCSCCCCF 62a_100000729493_100012276617 [0,2,0,0,0,0|1,0,1]=4 16730 B13R0.336 C#CCCCCCCSCCCCF 62a_100012276617_100000729493 [0,2,0,0,0,0|1,0,1]=4 16731 B13R0.336 C#CCCCCCCSCCCCO 62a_100000210776_100012276617 [0,2,0,0,0,0|1,0,1]=4 16732 B13R0.336 C#CCCCCCCSCCCCO 62a_100012276617_100000210776 [0,2,0,0,0,0|1,0,1]=4 16733 B13R0.336 C#CCCCCCCSCCCOC 62a_100000709357_100012276617 [0,2,0,0,0,0|1,0,1]=4 16734 B13R0.336 C#CCCCCCCSCCCOC 62a_100012276617_100000709357 [0,2,0,0,0,0|1,0,1]=4 16735 B13R0.336 C#CCCCCCCSCCOCC 62a_100000210147_100012276617 [0,2,0,0,0,0|1,0,1]=4 16736 B13R0.336 C#CCCCCCCSCCOCC 62a_100012276617_100011215890 [0,2,0,0,0,0|1,0,1]=4 16737 B13R0.336 C#CCCCCCCSCCSCC 62a_100000757381_100012276617 [0,2,0,0,0,0|1,0,1]=4 16738 B13R0.336 C#CCCCCCCSCCSCC 62a_100012276617_100000757381 [0,2,0,0,0,0|1,0,1]=4 16739 B13R0.336 C#CCCCCCNCCCCC=C 2230a_100000703577_100012094781 [0,2,0,0,0,0|1,0,1]=4 16740 B13R0.336 C#CCCCCCNCCCCC=C 34a_100000703577_100012094781 [0,2,0,0,0,0|1,0,1]=4 16741 B13R0.336 C#CCCCCCNCCCCCC 2230a_100000210581_100012094781 [0,2,0,0,0,0|1,0,1]=4 16742 B13R0.336 C#CCCCCCNCCCCCO 2230a_100000762737_100012094781 [0,2,0,0,0,0|1,0,1]=4 16743 B13R0.336 C#CCCCCCNCCCCCO 34a_100000762737_100012094781 [0,2,0,0,0,0|1,0,1]=4 16744 B13R0.336 C#CCCCCCNCCCOCC 2230a_100000210961_100012094781 [0,2,0,0,0,0|1,0,1]=4 16745 B13R0.336 C#CCCCCCNCCCOCC 34a_100000210961_100012094781 [0,2,0,0,0,0|1,0,1]=4 16746 B13R0.336 C#CCCCCCNCCOCCC 2230a_100161115042_100012094781 [0,2,0,0,0,0|1,0,1]=4 16747 B13R0.336 C#CCCCCCNCCOCCC 34a_100161115042_100012094781 [0,2,0,0,0,0|1,0,1]=4 16748 B13R0.336 C#CCCCCCNCCSCCC 2230a_100020603323_100012094781 [0,2,0,0,0,0|1,0,1]=4 16749 B13R0.336 C#CCCCCCOCCCCC=C 34a_100000766645_100012094781 [0,2,0,0,0,0|1,0,1]=4 16750 B13R0.336 C#CCCCCCOCCCCC=C 34a_100000766912_100011215482 [0,2,0,0,0,0|1,0,1]=4 16751 B13R0.336 C#CCCCCCOCCCCC=C 7a_100000766645_100012094781 [0,2,0,0,0,0|1,0,1]=4 16752 B13R0.336 C#CCCCCCOCCCCC=C 7a_100000766912_100011215482 [0,2,0,0,0,0|1,0,1]=4 16753 B13R0.336 C#CCCCCCOCCCCC=O 7a_100000766912_100000139335 [0,2,0,0,0,0|0,0,1]=3 16754 B13R0.336 C#CCCCCCOCCCCCBr 34a_100000746331_100012094781 [0,2,0,0,0,0|1,0,1]=4 16755 B13R0.336 C#CCCCCCOCCCCCBr 7a_100000746331_100012094781 [0,2,0,0,0,0|1,0,1]=4 16756 B13R0.336 C#CCCCCCOCCCCCC 34a_100000210259_100012094781 [0,2,0,0,0,0|1,0,1]=4 16757 B13R0.336 C#CCCCCCOCCCCCC 34a_100000766912_100000210314 [0,2,0,0,0,0|1,0,1]=4 16758 B13R0.336 C#CCCCCCOCCCCCC 7a_100000210259_100012094781 [0,2,0,0,0,0|1,0,1]=4 16759 B13R0.336 C#CCCCCCOCCCCCC 7a_100000766912_100000210314 [0,2,0,0,0,0|1,0,1]=4 16760 B13R0.336 C#CCCCCCOCCCCCCl 34a_100000746330_100012094781 [0,2,0,0,0,0|1,0,1]=4 16761 B13R0.336 C#CCCCCCOCCCCCCl 7a_100000746330_100012094781 [0,2,0,0,0,0|1,0,1]=4 16762 B13R0.336 C#CCCCCCOCCCCCF 34a_100000766912_100000729378 [0,2,0,0,0,0|1,0,1]=4 16763 B13R0.336 C#CCCCCCOCCCCCF 7a_100000766912_100000729378 [0,2,0,0,0,0|1,0,1]=4 16764 B13R0.336 C#CCCCCCOCCCCCI 34a_200012148887_100012094781 [0,2,0,0,0,0|1,0,1]=4 16765 B13R0.336 C#CCCCCCOCCCCCI 7a_200012148887_100012094781 [0,2,0,0,0,0|1,0,1]=4 16766 B13R0.336 C#CCCCCCOCCCCCN 34a_100000762737_100012094781 [0,2,0,0,0,0|1,0,1]=4 16767 B13R0.336 C#CCCCCCOCCCCCO 34a_100000766912_100000746330 [0,2,0,0,0,0|1,0,1]=4 16768 B13R0.336 C#CCCCCCOCCCCCO 7a_100000766912_100000746330 [0,2,0,0,0,0|1,0,1]=4 16769 B13R0.336 C#CCCCCCOCCCCOC 34a_100000740925_100012094781 [0,2,0,0,0,0|1,0,1]=4 16770 B13R0.336 C#CCCCCCOCCCCOC 34a_100000766912_100000755781 [0,2,0,0,0,0|1,0,1]=4 16771 B13R0.336 C#CCCCCCOCCCCOC 7a_100000766912_100000730899 [0,2,0,0,0,0|1,0,1]=4 16772 B13R0.336 C#CCCCCCOCCCCSC 34a_100011217163_100012094781 [0,2,0,0,0,0|1,0,1]=4 16773 B13R0.336 C#CCCCCCOCCCCSC 7a_100011217163_100012094781 [0,2,0,0,0,0|1,0,1]=4 16774 B13R0.336 C#CCCCCCOCCCOCC 34a_100000757476_100012094781 [0,2,0,0,0,0|1,0,1]=4 16775 B13R0.336 C#CCCCCCOCCCOCC 34a_100000766912_100012232248 [0,2,0,0,0,0|1,0,1]=4 16776 B13R0.336 C#CCCCCCOCCCOCC 7a_100000757476_100012094781 [0,2,0,0,0,0|1,0,1]=4 16777 B13R0.336 C#CCCCCCOCCCOCC 7a_100000766912_100012232248 [0,2,0,0,0,0|1,0,1]=4 16778 B13R0.336 C#CCCCCCOCCCSCC 34a_100011216438_100012094781 [0,2,0,0,0,0|1,0,1]=4 16779 B13R0.336 C#CCCCCCOCCCSCC 7a_100011216438_100012094781 [0,2,0,0,0,0|1,0,1]=4 16780 B13R0.336 C#CCCCCCOCCOCCC 34a_100000752267_100012094781 [0,2,0,0,0,0|1,0,1]=4 16781 B13R0.336 C#CCCCCCOCCOCCC 34a_100000766912_100011215938 [0,2,0,0,0,0|1,0,1]=4 16782 B13R0.336 C#CCCCCCOCCOCCC 7a_100000752267_100012094781 [0,2,0,0,0,0|1,0,1]=4 16783 B13R0.336 C#CCCCCCOCCOCCC 7a_100000766912_100011215938 [0,2,0,0,0,0|1,0,1]=4 16784 B13R0.336 C#CCCCCCOCCSCCC 34a_200000230433_100012094781 [0,2,0,0,0,0|1,0,1]=4 16785 B13R0.336 C#CCCCCCOCCSCCC 7a_200000230433_100012094781 [0,2,0,0,0,0|1,0,1]=4 16786 B13R0.336 C#CCCCCCOCOCCCC 34a_100000766912_100011995733 [0,2,0,0,0,0|1,0,1]=4 16787 B13R0.336 C#CCCCCCSCCCCC=C 62a_100011215482_100012094781 [0,2,0,0,0,0|1,0,1]=4 16788 B13R0.336 C#CCCCCCSCCCCC=C 62a_100012094781_100011215482 [0,2,0,0,0,0|1,0,1]=4 16789 B13R0.336 C#CCCCCCSCCCCC=O 62a_100000139335_100012094781 [0,2,0,0,0,0|0,0,1]=3 16790 B13R0.336 C#CCCCCCSCCCCC=O 62a_100012094781_100000139335 [0,2,0,0,0,0|0,0,1]=3 16791 B13R0.336 C#CCCCCCSCCCCCC 62a_100000210314_100012094781 [0,2,0,0,0,0|1,0,1]=4 16792 B13R0.336 C#CCCCCCSCCCCCC 62a_100012094781_100000210757 [0,2,0,0,0,0|1,0,1]=4 16793 B13R0.336 C#CCCCCCSCCCCCF 62a_100000729378_100012094781 [0,2,0,0,0,0|1,0,1]=4 16794 B13R0.336 C#CCCCCCSCCCCCF 62a_100012094781_100000729378 [0,2,0,0,0,0|1,0,1]=4 16795 B13R0.336 C#CCCCCCSCCCCCO 62a_100000746330_100012094781 [0,2,0,0,0,0|1,0,1]=4 16796 B13R0.336 C#CCCCCCSCCCCCO 62a_100012094781_100000746330 [0,2,0,0,0,0|1,0,1]=4 16797 B13R0.336 C#CCCCCCSCCCCOC 62a_100000730899_100012094781 [0,2,0,0,0,0|1,0,1]=4 16798 B13R0.336 C#CCCCCCSCCCCOC 62a_100012094781_100000730899 [0,2,0,0,0,0|1,0,1]=4 16799 B13R0.336 C#CCCCCCSCCCOCC 62a_100012094781_100012232248 [0,2,0,0,0,0|1,0,1]=4 16800 B13R0.336 C#CCCCCCSCCCOCC 62a_100012232248_100012094781 [0,2,0,0,0,0|1,0,1]=4 16801 B13R0.336 C#CCCCCCSCCOCCC 62a_100011215938_100012094781 [0,2,0,0,0,0|1,0,1]=4 16802 B13R0.336 C#CCCCCCSCCOCCC 62a_100012094781_100011215938 [0,2,0,0,0,0|1,0,1]=4 16803 B13R0.336 C#CCCCCCSCOCCCC 62a_100011995733_100012094781 [0,2,0,0,0,0|1,0,1]=4 16804 B13R0.336 C#CCCCCCSCOCCCC 62a_100012094781_100011995733 [0,2,0,0,0,0|1,0,1]=4 16805 B13R0.336 C#CCCCCNCCCCCC=C 2230a_100000706060_100000700193 [0,2,0,0,0,0|1,0,1]=4 16806 B13R0.336 C#CCCCCNCCCCCC=C 34a_100000706060_100000700193 [0,2,0,0,0,0|1,0,1]=4 16807 B13R0.336 C#CCCCCNCCCCCC=O 2230a_100000706060_100000139337 [0,2,0,0,0,0|0,0,1]=3 16808 B13R0.336 C#CCCCCNCCCCCCC 2230a_100000229938_100010269958 [0,2,0,0,0,0|1,0,1]=4 16809 B13R0.336 C#CCCCCNCCCCCCC 2230a_100000706060_100000210681 [0,2,0,0,0,0|1,0,1]=4 16810 B13R0.336 C#CCCCCNCCCCCCC 34a_100000706060_100000210614 [0,2,0,0,0,0|1,0,1]=4 16811 B13R0.336 C#CCCCCNCCCCCCF 2230a_100000706060_100015922095 [0,2,0,0,0,0|1,0,1]=4 16812 B13R0.336 C#CCCCCNCCCCCCF 34a_100000706060_100015922095 [0,2,0,0,0,0|1,0,1]=4 16813 B13R0.336 C#CCCCCNCCCCCCO 2230a_100000686447_100010269958 [0,2,0,0,0,0|1,0,1]=4 16814 B13R0.336 C#CCCCCNCCCCCCO 2230a_100000706060_100000766143 [0,2,0,0,0,0|1,0,1]=4 16815 B13R0.336 C#CCCCCNCCCCCCO 34a_100000686447_100010269958 [0,2,0,0,0,0|1,0,1]=4 16816 B13R0.336 C#CCCCCNCCCCCCO 34a_100000706060_100000766143 [0,2,0,0,0,0|1,0,1]=4 16817 B13R0.336 C#CCCCCNCCCCCOC 2230a_100000747528_100010269958 [0,2,0,0,0,0|1,0,1]=4 16818 B13R0.336 C#CCCCCNCCCCCOC 34a_100000747528_100010269958 [0,2,0,0,0,0|1,0,1]=4 16819 B13R0.336 C#CCCCCNCCCOCCC 2230a_100011217757_100010269958 [0,2,0,0,0,0|1,0,1]=4 16820 B13R0.336 C#CCCCCNCCCOCCC 34a_100011217757_100010269958 [0,2,0,0,0,0|1,0,1]=4 16821 B13R0.336 C#CCCCCNCCOCCCC 2230a_100000706060_100000743108 [0,2,0,0,0,0|1,0,1]=4 16822 B13R0.336 C#CCCCCNCCOCCCC 34a_100000706060_100000743108 [0,2,0,0,0,0|1,0,1]=4 16823 B13R0.336 C#CCCCCNCCSCCCC 2230a_100025743550_100010269958 [0,2,0,0,0,0|1,0,1]=4 16824 B13R0.336 C#CCCCCOCCCCCC=C 34a_100000766709_100000700193 [0,2,0,0,0,0|1,0,1]=4 16825 B13R0.336 C#CCCCCOCCCCCC=C 34a_100011216702_100010269958 [0,2,0,0,0,0|1,0,1]=4 16826 B13R0.336 C#CCCCCOCCCCCC=C 7a_100000766709_100000700193 [0,2,0,0,0,0|1,0,1]=4 16827 B13R0.336 C#CCCCCOCCCCCC=C 7a_100011216702_100010269958 [0,2,0,0,0,0|1,0,1]=4 16828 B13R0.336 C#CCCCCOCCCCCC=O 7a_100000766709_100000139337 [0,2,0,0,0,0|0,0,1]=3 16829 B13R0.336 C#CCCCCOCCCCCCBr 34a_100011215345_100010269958 [0,2,0,0,0,0|1,0,1]=4 16830 B13R0.336 C#CCCCCOCCCCCCBr 7a_100011215345_100010269958 [0,2,0,0,0,0|1,0,1]=4 16831 B13R0.336 C#CCCCCOCCCCCCC 34a_100000210272_100010269958 [0,2,0,0,0,0|1,0,1]=4 16832 B13R0.336 C#CCCCCOCCCCCCC 34a_100000766709_100000210614 [0,2,0,0,0,0|1,0,1]=4 16833 B13R0.336 C#CCCCCOCCCCCCC 7a_100000210272_100010269958 [0,2,0,0,0,0|1,0,1]=4 16834 B13R0.336 C#CCCCCOCCCCCCC 7a_100000766709_100000210614 [0,2,0,0,0,0|1,0,1]=4 16835 B13R0.336 C#CCCCCOCCCCCCCl 34a_100000766143_100010269958 [0,2,0,0,0,0|1,0,1]=4 16836 B13R0.336 C#CCCCCOCCCCCCCl 7a_100000766143_100010269958 [0,2,0,0,0,0|1,0,1]=4 16837 B13R0.336 C#CCCCCOCCCCCCF 34a_100000732779_100010269958 [0,2,0,0,0,0|1,0,1]=4 16838 B13R0.336 C#CCCCCOCCCCCCF 34a_100000766709_100015922095 [0,2,0,0,0,0|1,0,1]=4 16839 B13R0.336 C#CCCCCOCCCCCCF 7a_100000732779_100010269958 [0,2,0,0,0,0|1,0,1]=4 16840 B13R0.336 C#CCCCCOCCCCCCF 7a_100000766709_100015922095 [0,2,0,0,0,0|1,0,1]=4 16841 B13R0.336 C#CCCCCOCCCCCCN 34a_100000686447_100010269958 [0,2,0,0,0,0|1,0,1]=4 16842 B13R0.336 C#CCCCCOCCCCCCO 34a_100000766709_100000766143 [0,2,0,0,0,0|1,0,1]=4 16843 B13R0.336 C#CCCCCOCCCCCCO 7a_100000766709_100000766143 [0,2,0,0,0,0|1,0,1]=4 16844 B13R0.336 C#CCCCCOCCCCCNC 34a_100000722520_100010269958 [0,2,0,0,0,0|1,0,1]=4 16845 B13R0.336 C#CCCCCOCCOCCCC 34a_100000210238_100010269958 [0,2,0,0,0,0|1,0,1]=4 16846 B13R0.336 C#CCCCCOCCOCCCC 34a_100000766709_100000743108 [0,2,0,0,0,0|1,0,1]=4 16847 B13R0.336 C#CCCCCOCCOCCCC 7a_100000210238_100010269958 [0,2,0,0,0,0|1,0,1]=4 16848 B13R0.336 C#CCCCCOCCOCCCC 7a_100000766709_100000743108 [0,2,0,0,0,0|1,0,1]=4 16849 B13R0.336 C#CCCCCOCCSCCCC 34a_200000230436_100010269958 [0,2,0,0,0,0|1,0,1]=4 16850 B13R0.336 C#CCCCCOCCSCCCC 7a_200000230436_100010269958 [0,2,0,0,0,0|1,0,1]=4 16851 B13R0.336 C#CCCCCSCCCCCC=C 62a_100000700193_100010269958 [0,2,0,0,0,0|1,0,1]=4 16852 B13R0.336 C#CCCCCSCCCCCC=C 62a_100010269958_100000700193 [0,2,0,0,0,0|1,0,1]=4 16853 B13R0.336 C#CCCCCSCCCCCC=O 62a_100000139337_100010269958 [0,2,0,0,0,0|0,0,1]=3 16854 B13R0.336 C#CCCCCSCCCCCC=O 62a_100010269958_100000139337 [0,2,0,0,0,0|0,0,1]=3 16855 B13R0.336 C#CCCCCSCCCCCCC 62a_100000210614_100010269958 [0,2,0,0,0,0|1,0,1]=4 16856 B13R0.336 C#CCCCCSCCCCCCC 62a_100010269958_100000210316 [0,2,0,0,0,0|1,0,1]=4 16857 B13R0.336 C#CCCCCSCCCCCCF 62a_100010269958_100015922095 [0,2,0,0,0,0|1,0,1]=4 16858 B13R0.336 C#CCCCCSCCCCCCF 62a_100015922095_100010269958 [0,2,0,0,0,0|1,0,1]=4 16859 B13R0.336 C#CCCCCSCCCCCCO 62a_100000766143_100010269958 [0,2,0,0,0,0|1,0,1]=4 16860 B13R0.336 C#CCCCCSCCCCCCO 62a_100010269958_100000766143 [0,2,0,0,0,0|1,0,1]=4 16861 B13R0.336 C#CCCCCSCCOCCCC 62a_100000743108_100010269958 [0,2,0,0,0,0|1,0,1]=4 16862 B13R0.336 C#CCCCCSCCOCCCC 62a_100010269958_100000743108 [0,2,0,0,0,0|1,0,1]=4 16863 B13R0.336 C#CCCCNCCCCCCC=C 34a_100000718082_100011215473 [0,2,0,0,0,0|1,0,1]=4 16864 B13R0.336 C#CCCCNCCCCCCCC 2230a_100000229939_100000731252 [0,2,0,0,0,0|1,0,1]=4 16865 B13R0.336 C#CCCCNCCCCCCCC 34a_100000229939_100000695029 [0,2,0,0,0,0|1,0,1]=4 16866 B13R0.336 C#CCCCNCCCCCCCC 34a_100000718082_100000210759 [0,2,0,0,0,0|1,0,1]=4 16867 B13R0.336 C#CCCCNCCCCCCCO 2230a_100011996573_100000731252 [0,2,0,0,0,0|1,0,1]=4 16868 B13R0.336 C#CCCCNCCCCCCCO 34a_100000718082_100000760002 [0,2,0,0,0,0|1,0,1]=4 16869 B13R0.336 C#CCCCNCCCCCCCO 34a_100011996573_100000695029 [0,2,0,0,0,0|1,0,1]=4 16870 B13R0.336 C#CCCCNCCCCCCOC 34a_100000718082_100011998445 [0,2,0,0,0,0|1,0,1]=4 16871 B13R0.336 C#CCCCNCCCOCCCC 2230a_200000211371_100000731252 [0,2,0,0,0,0|1,0,1]=4 16872 B13R0.336 C#CCCCNCCCOCCCC 34a_200000211371_100000695029 [0,2,0,0,0,0|1,0,1]=4 16873 B13R0.336 C#CCCCOCCCCCCC=C 34a_100000215630_100011215473 [0,2,0,0,0,0|1,0,1]=4 16874 B13R0.336 C#CCCCOCCCCCCC=C 34a_200011216477_100000695029 [0,2,0,0,0,0|1,0,1]=4 16875 B13R0.336 C#CCCCOCCCCCCC=C 7a_100000215630_100011215473 [0,2,0,0,0,0|1,0,1]=4 16876 B13R0.336 C#CCCCOCCCCCCC=C 7a_200011216477_100011215417 [0,2,0,0,0,0|1,0,1]=4 16877 B13R0.336 C#CCCCOCCCCCCCBr 34a_100000760002_100000695029 [0,2,0,0,0,0|1,0,1]=4 16878 B13R0.336 C#CCCCOCCCCCCCBr 7a_100000760002_100011215417 [0,2,0,0,0,0|1,0,1]=4 16879 B13R0.336 C#CCCCOCCCCCCCC 34a_100000210232_100000695029 [0,2,0,0,0,0|1,0,1]=4 16880 B13R0.336 C#CCCCOCCCCCCCC 34a_100000215630_100000210759 [0,2,0,0,0,0|1,0,1]=4 16881 B13R0.336 C#CCCCOCCCCCCCC 7a_100000210232_100011215417 [0,2,0,0,0,0|1,0,1]=4 16882 B13R0.336 C#CCCCOCCCCCCCC 7a_100000215630_100000210759 [0,2,0,0,0,0|1,0,1]=4 16883 B13R0.336 C#CCCCOCCCCCCCN 34a_100011996573_100000695029 [0,2,0,0,0,0|1,0,1]=4 16884 B13R0.336 C#CCCCOCCCCCCCO 34a_100000215630_100000760002 [0,2,0,0,0,0|1,0,1]=4 16885 B13R0.336 C#CCCCOCCCCCCCO 7a_100000215630_100000760002 [0,2,0,0,0,0|1,0,1]=4 16886 B13R0.336 C#CCCCOCCCCCCOC 34a_100000215630_100011998445 [0,2,0,0,0,0|1,0,1]=4 16887 B13R0.336 C#CCCCOCCCCCCOC 34a_200012092642_100000695029 [0,2,0,0,0,0|1,0,1]=4 16888 B13R0.336 C#CCCCOCCCCCCOC 7a_100000215630_100011998445 [0,2,0,0,0,0|1,0,1]=4 16889 B13R0.336 C#CCCCOCCCCCCOC 7a_200012092642_100011215417 [0,2,0,0,0,0|1,0,1]=4 16890 B13R0.336 C#CCCCOCCCOCCCC 34a_200011215613_100000695029 [0,2,0,0,0,0|1,0,1]=4 16891 B13R0.336 C#CCCCOCCCOCCCC 7a_200011215613_100011215417 [0,2,0,0,0,0|1,0,1]=4 16892 B13R0.336 C#CCCCOCCNCCCCC 34a_100000224656_100000695029 [0,2,0,0,0,0|1,0,1]=4 16893 B13R0.336 C#CCCCOCCOCCCCC 34a_100011215259_100000695029 [0,2,0,0,0,0|1,0,1]=4 16894 B13R0.336 C#CCCCOCCOCCCCC 7a_100011215259_100011215417 [0,2,0,0,0,0|1,0,1]=4 16895 B13R0.336 C#CCCCSCCCCCCC=C 62a_100011215417_100011215473 [0,2,0,0,0,0|1,0,1]=4 16896 B13R0.336 C#CCCCSCCCCCCC=C 62a_100011215473_100011215417 [0,2,0,0,0,0|1,0,1]=4 16897 B13R0.336 C#CCCCSCCCCCCCC 62a_100000210759_100011215417 [0,2,0,0,0,0|1,0,1]=4 16898 B13R0.336 C#CCCCSCCCCCCCC 62a_100011215417_100000210317 [0,2,0,0,0,0|1,0,1]=4 16899 B13R0.336 C#CCCCSCCCCCCCO 62a_100000760002_100011215417 [0,2,0,0,0,0|1,0,1]=4 16900 B13R0.336 C#CCCCSCCCCCCCO 62a_100011215417_100000760002 [0,2,0,0,0,0|1,0,1]=4 16901 B13R0.336 C#CCCCSCCCCCCOC 62a_100011215417_100011998445 [0,2,0,0,0,0|1,0,1]=4 16902 B13R0.336 C#CCCCSCCCCCCOC 62a_100011998445_100011215417 [0,2,0,0,0,0|1,0,1]=4 16903 B13R0.336 C#CCCNCCCCCCCC=C 34a_100000755551_100012355270 [0,2,0,0,0,0|1,0,1]=4 16904 B13R0.336 C#CCCNCCCCCCCCC 2230a_100000212291_100000688953 [0,2,0,0,0,0|1,0,1]=4 16905 B13R0.336 C#CCCNCCCCCCCCC 34a_100000212291_100000688953 [0,2,0,0,0,0|1,0,1]=4 16906 B13R0.336 C#CCCNCCCCCCCCC 34a_100000755551_100011214924 [0,2,0,0,0,0|1,0,1]=4 16907 B13R0.336 C#CCCNCCCCCCCCO 2230a_102515433106_100000688953 [0,2,0,0,0,0|1,0,1]=4 16908 B13R0.336 C#CCCNCCCCCCCCO 34a_100000755551_100000033203 [0,2,0,0,0,0|1,0,1]=4 16909 B13R0.336 C#CCCNCCCCCCCCO 34a_102515433106_100000688953 [0,2,0,0,0,0|1,0,1]=4 16910 B13R0.336 C#CCCOCCCCCCCC=C 34a_100000730831_100000688953 [0,2,0,0,0,0|1,0,1]=4 16911 B13R0.336 C#CCCOCCCCCCCC=C 34a_100011215631_100012355270 [0,2,0,0,0,0|1,0,1]=4 16912 B13R0.336 C#CCCOCCCCCCCC=C 7a_100000730831_100000688953 [0,2,0,0,0,0|1,0,1]=4 16913 B13R0.336 C#CCCOCCCCCCCCBr 34a_100009813846_100000688953 [0,2,0,0,0,0|1,0,1]=4 16914 B13R0.336 C#CCCOCCCCCCCCBr 7a_100009813846_100000688953 [0,2,0,0,0,0|1,0,1]=4 16915 B13R0.336 C#CCCOCCCCCCCCC 34a_100000210712_100000688953 [0,2,0,0,0,0|1,0,1]=4 16916 B13R0.336 C#CCCOCCCCCCCCC 34a_100011215631_100011214924 [0,2,0,0,0,0|1,0,1]=4 16917 B13R0.336 C#CCCOCCCCCCCCC 7a_100000210712_100000688953 [0,2,0,0,0,0|1,0,1]=4 16918 B13R0.336 C#CCCOCCCCCCCCCl 34a_100000033203_100000688953 [0,2,0,0,0,0|1,0,1]=4 16919 B13R0.336 C#CCCOCCCCCCCCCl 7a_100000033203_100000688953 [0,2,0,0,0,0|1,0,1]=4 16920 B13R0.336 C#CCCOCCCCCCCCN 34a_102515433106_100000688953 [0,2,0,0,0,0|1,0,1]=4 16921 B13R0.336 C#CCCOCCCCCCCCO 34a_100011215631_100000033203 [0,2,0,0,0,0|1,0,1]=4 16922 B13R0.336 C#CCCOCCCCNCCCC 34a_200011216965_100000688953 [0,2,0,0,0,0|1,0,1]=4 16923 B13R0.336 C#CCCOCCCCOCCCC 34a_200000760531_100000688953 [0,2,0,0,0,0|1,0,1]=4 16924 B13R0.336 C#CCCOCCCCOCCCC 7a_200000760531_100000688953 [0,2,0,0,0,0|1,0,1]=4 16925 B13R0.336 C#CCCOCCOCCCCCC 34a_100000691444_100000688953 [0,2,0,0,0,0|1,0,1]=4 16926 B13R0.336 C#CCCOCCOCCCCCC 7a_100000691444_100000688953 [0,2,0,0,0,0|1,0,1]=4 16927 B13R0.336 C#CCCSCCCCCCCC=C 62a_100000688953_100012355270 [0,2,0,0,0,0|1,0,1]=4 16928 B13R0.336 C#CCCSCCCCCCCC=C 62a_100012355270_100000688953 [0,2,0,0,0,0|1,0,1]=4 16929 B13R0.336 C#CCCSCCCCCCCCC 62a_100000688953_100000210670 [0,2,0,0,0,0|1,0,1]=4 16930 B13R0.336 C#CCCSCCCCCCCCO 62a_100000033203_100000688953 [0,2,0,0,0,0|1,0,1]=4 16931 B13R0.336 C#CCCSCCCCCCCCO 62a_100000688953_100000033203 [0,2,0,0,0,0|1,0,1]=4 16932 B13R0.336 C#CCNCCCCCCCCC=C 34a_100000212058_100011933949 [0,2,0,0,0,0|1,0,1]=4 16933 B13R0.336 C#CCNCCCCCCCCCC 2230a_100000684558_100000038162 [0,2,0,0,0,0|1,0,1]=4 16934 B13R0.336 C#CCNCCCCCCCCCC 34a_100000212058_100000210320 [0,2,0,0,0,0|1,0,1]=4 16935 B13R0.336 C#CCNCCCCCCCCCC 34a_100000684558_100000184674 [0,2,0,0,0,0|1,0,1]=4 16936 B13R0.336 C#CCNCCCCCCCCCO 2230a_100000078944_100000038162 [0,2,0,0,0,0|1,0,1]=4 16937 B13R0.336 C#CCNCCCCCCCCCO 34a_100000078944_100000184674 [0,2,0,0,0,0|1,0,1]=4 16938 B13R0.336 C#CCNCCCCCCCCCO 34a_100000212058_100009813782 [0,2,0,0,0,0|1,0,1]=4 16939 B13R0.336 C#CCOCCCCCCCCC=C 34a_100000210247_100011933949 [0,2,0,0,0,0|1,0,1]=4 16940 B13R0.336 C#CCOCCCCCCCCC=C 34a_100011215194_100000184674 [0,2,0,0,0,0|1,0,1]=4 16941 B13R0.336 C#CCOCCCCCCCCC=C 7a_100011215194_100000038162 [0,2,0,0,0,0|1,0,1]=4 16942 B13R0.336 C#CCOCCCCCCCCCBr 34a_100009813782_100000184674 [0,2,0,0,0,0|1,0,1]=4 16943 B13R0.336 C#CCOCCCCCCCCCBr 7a_100009813782_100000038162 [0,2,0,0,0,0|1,0,1]=4 16944 B13R0.336 C#CCOCCCCCCCCCC 34a_100000210247_100000210320 [0,2,0,0,0,0|1,0,1]=4 16945 B13R0.336 C#CCOCCCCCCCCCC 34a_100000210711_100000184674 [0,2,0,0,0,0|1,0,1]=4 16946 B13R0.336 C#CCOCCCCCCCCCC 7a_100000210711_100000038162 [0,2,0,0,0,0|1,0,1]=4 16947 B13R0.336 C#CCOCCCCCCCCCCl 34a_100009868337_100000184674 [0,2,0,0,0,0|1,0,1]=4 16948 B13R0.336 C#CCOCCCCCCCCCCl 7a_100009868337_100000038162 [0,2,0,0,0,0|1,0,1]=4 16949 B13R0.336 C#CCOCCCCCCCCCN 34a_100000078944_100000184674 [0,2,0,0,0,0|1,0,1]=4 16950 B13R0.336 C#CCOCCCCCCCCCO 34a_100000210247_100009813782 [0,2,0,0,0,0|1,0,1]=4 16951 B13R0.336 C#CCOCCCCCCOCC=O 34a_200011021349_200009817547 [0,2,0,0,0,0|0,0,2]=4 16952 B13R0.336 C#CCOCCCCCCOCC=O 7a_200011021349_200015260668 [0,2,0,0,0,0|0,0,2]=4 16953 B13R0.336 C#CCOCCCCCCOCCC 34a_200011021349_100000210303 [0,2,0,0,0,0|1,0,1]=4 16954 B13R0.336 C#CCOCCCCCCOCCC 7a_200011021349_100000210303 [0,2,0,0,0,0|1,0,1]=4 16955 B13R0.336 C#CCOCCNCCCCCC=O 2230a_100000700922_100000139337 [0,2,0,0,0,0|0,0,2]=4 16956 B13R0.336 C#CCOCCNCCCCCCC 2230a_100000229938_100010402529 [0,2,0,0,0,0|1,0,1]=4 16957 B13R0.336 C#CCOCCNCCCCCCC 2230a_100000700922_100000210681 [0,2,0,0,0,0|1,0,1]=4 16958 B13R0.336 C#CCOCCNCCCCCCC 34a_100000700922_100000210614 [0,2,0,0,0,0|1,0,1]=4 16959 B13R0.336 C#CCOCCOCCCCCC=O 7a_100000054580_100000139337 [0,2,0,0,0,0|0,0,2]=4 16960 B13R0.336 C#CCOCCOCCCCCCC 34a_100000054580_100000210614 [0,2,0,0,0,0|1,0,1]=4 16961 B13R0.336 C#CCOCCOCCCCCCC 34a_100000210272_100010402529 [0,2,0,0,0,0|1,0,1]=4 16962 B13R0.336 C#CCOCCOCCCCCCC 7a_100000054580_100000210614 [0,2,0,0,0,0|1,0,1]=4 16963 B13R0.336 C#CCOCCOCCCCCCC 7a_100000210272_100010402529 [0,2,0,0,0,0|1,0,1]=4 16964 B13R0.336 C#CCOCCSCCCCCC=O 62a_100000139337_100010402529 [0,2,0,0,0,0|0,0,2]=4 16965 B13R0.336 C#CCOCCSCCCCCC=O 62a_100010402529_100000139337 [0,2,0,0,0,0|0,0,2]=4 16966 B13R0.336 C#CCOCCSCCCCCCC 62a_100000210614_100010402529 [0,2,0,0,0,0|1,0,1]=4 16967 B13R0.336 C#CCOCCSCCCCCCC 62a_100010402529_100000210316 [0,2,0,0,0,0|1,0,1]=4 16968 B13R0.336 C#CCSCCCCCCCCC=C 62a_100000038162_100011933949 [0,2,0,0,0,0|1,0,1]=4 16969 B13R0.336 C#CCSCCCCCCCCCC 62a_100000038162_100000210320 [0,2,0,0,0,0|1,0,1]=4 16970 B13R0.336 C#CCSCCCCCCCCCO 62a_100000038162_100009813782 [0,2,0,0,0,0|1,0,1]=4 16971 B13R0.336 C/C=C/CCOCCCCCCCC 34a_100016278192_100000210759 [0,2,0,0,0,0|1,0,0]=3 16972 B13R0.336 C/C=C/CCOCCCCCCCO 34a_100016278192_100000760002 [0,2,0,0,0,0|1,0,1]=4 16973 B13R0.336 C/C=C/CCOCCCCCCOC 34a_100016278192_100011998445 [0,2,0,0,0,0|1,0,1]=4 16974 B13R0.336 C/C=C/CNCCCCCCCCC 34a_100000212291_100102629194 [0,2,0,0,0,0|1,0,0]=3 16975 B13R0.336 C/C=C/CNCCCCCCCCO 34a_102515433106_100102629194 [0,2,0,0,0,0|1,0,1]=4 16976 B13R0.336 C/C=C/COCCCCCCCCBr 34a_100009813846_100102629194 [0,2,0,0,0,0|1,0,1]=4 16977 B13R0.336 C/C=C/COCCCCCCCCBr 7a_100009813846_100102629194 [0,2,0,0,0,0|1,0,1]=4 16978 B13R0.336 C/C=C/COCCCCCCCCC 34a_100000210712_100102629194 [0,2,0,0,0,0|1,0,0]=3 16979 B13R0.336 C/C=C/COCCCCCCCCC 34a_100016270725_100011214924 [0,2,0,0,0,0|1,0,0]=3 16980 B13R0.336 C/C=C/COCCCCCCCCC 7a_100000210712_100102629194 [0,2,0,0,0,0|1,0,0]=3 16981 B13R0.336 C/C=C/COCCCCCCCCCl 34a_100000033203_100102629194 [0,2,0,0,0,0|1,0,1]=4 16982 B13R0.336 C/C=C/COCCCCCCCCCl 7a_100000033203_100102629194 [0,2,0,0,0,0|1,0,1]=4 16983 B13R0.336 C/C=C/COCCCCCCCCN 34a_102515433106_100102629194 [0,2,0,0,0,0|1,0,1]=4 16984 B13R0.336 C/C=C/COCCCCCCCCO 34a_100016270725_100000033203 [0,2,0,0,0,0|1,0,1]=4 16985 B13R0.336 C/C=C/COCCCCNCCCC 34a_200011216965_100102629194 [0,2,0,0,0,0|1,0,1]=4 16986 B13R0.336 C/C=C/COCCCCOCCCC 34a_200000760531_100102629194 [0,2,0,0,0,0|1,0,1]=4 16987 B13R0.336 C/C=C/COCCCCOCCCC 7a_200000760531_100102629194 [0,2,0,0,0,0|1,0,1]=4 16988 B13R0.336 C/C=C/COCCOCCCCCC 34a_100000691444_100102629194 [0,2,0,0,0,0|1,0,1]=4 16989 B13R0.336 C/C=C/COCCOCCCCCC 7a_100000691444_100102629194 [0,2,0,0,0,0|1,0,1]=4 16990 B13R0.336 C/C=C/CSCCCCCCCCO 62a_100000033203_100102629194 [0,2,0,0,0,0|1,0,1]=4 16991 B13R0.336 C/C=C/CSCCCCCCCCO 62a_100102629194_100000033203 [0,2,0,0,0,0|1,0,1]=4 16992 B13R0.336 C=CCCC/C=C/COCCCCC 34a_200016268473_100000718602 [0,2,0,0,0,0|1,0,1]=4 16993 B13R0.336 C=CCCC/C=C/COCCCCC 7a_200016268473_100000210326 [0,2,0,0,0,0|1,0,1]=4 16994 B13R0.336 C=CCCCCCCCCCCNC 2230a_106832991635_100011093070 [0,2,0,0,0,0|1,0,0]=3 16995 B13R0.336 C=CCCCCCCCCCCNC 34a_100102657272_100011093070 [0,2,0,0,0,0|1,0,0]=3 16996 B13R0.336 C=CCCCCCCCCCCNC 7a_106832991635_100011093070 [0,2,0,0,0,0|1,0,0]=3 16997 B13R0.336 C=CCCCCCCCCCCOC 34a_100138415774_100011093070 [0,2,0,0,0,0|1,0,0]=3 16998 B13R0.336 C=CCCCCCCCCCNCC 2230a_100000081888_100000210202 [0,2,0,0,0,0|1,0,0]=3 16999 B13R0.336 C=CCCCCCCCCCNCC 2230a_100015525214_100009814027 [0,2,0,0,0,0|1,0,0]=3 17000 B13R0.336 C=CCCCCCCCCCNCC 34a_100000081888_100000210202 [0,2,0,0,0,0|1,0,0]=3 17001 B13R0.336 C=CCCCCCCCCCNCF 34a_100000081888_100015361967 [0,2,0,0,0,0|1,0,0]=3 17002 B13R0.336 C=CCCCCCCCCCOCC 34a_100000038209_100000210202 [0,2,0,0,0,0|1,0,0]=3 17003 B13R0.336 C=CCCCCCCCCCOCC 34a_100121572206_100009814027 [0,2,0,0,0,0|1,0,0]=3 17004 B13R0.336 C=CCCCCCCCCCOCC 7a_100000038209_100000210202 [0,2,0,0,0,0|1,0,0]=3 17005 B13R0.336 C=CCCCCCCCCCOCF 34a_100000038209_100015361967 [0,2,0,0,0,0|1,0,0]=3 17006 B13R0.336 C=CCCCCCCCCCOCF 7a_100000038209_100015361967 [0,2,0,0,0,0|1,0,0]=3 17007 B13R0.336 C=CCCCCCCCCCSCF 62a_100009814027_100015361967 [0,2,0,0,0,0|1,0,0]=3 17008 B13R0.336 C=CCCCCCCCCCSCF 62a_100015361967_100009814027 [0,2,0,0,0,0|1,0,0]=3 17009 B13R0.336 C=CCCCCCCCCNCC=C 2230a_100020586998_100011933949 [0,2,0,0,0,0|1,0,1]=4 17010 B13R0.336 C=CCCCCCCCCNCCF 34a_100000724931_100011933949 [0,2,0,0,0,0|1,0,0]=3 17011 B13R0.336 C=CCCCCCCCCNCCO 2230a_100016997473_100011933949 [0,2,0,0,0,0|1,0,0]=3 17012 B13R0.336 C=CCCCCCCCCNCCO 34a_100016990907_100011933949 [0,2,0,0,0,0|1,0,0]=3 17013 B13R0.336 C=CCCCCCCCCOCC#N 7a_100011215194_100011215382 [0,2,0,0,0,0|1,0,1]=4 17014 B13R0.336 C=CCCCCCCCCOCC=C 34a_100011215194_100015514636 [0,2,0,0,0,0|1,0,1]=4 17015 B13R0.336 C=CCCCCCCCCOCC=C 34a_200000210373_100011933949 [0,2,0,0,0,0|1,0,1]=4 17016 B13R0.336 C=CCCCCCCCCOCC=C 7a_100011215194_100015514636 [0,2,0,0,0,0|1,0,1]=4 17017 B13R0.336 C=CCCCCCCCCOCC=O 34a_100011215194_200009817547 [0,2,0,0,0,0|0,0,1]=3 17018 B13R0.336 C=CCCCCCCCCOCC=O 7a_100011215194_200015260668 [0,2,0,0,0,0|0,0,1]=3 17019 B13R0.336 C=CCCCCCCCCOCCBr 34a_100000211926_100011933949 [0,2,0,0,0,0|1,0,0]=3 17020 B13R0.336 C=CCCCCCCCCOCCC 34a_100000210258_100011933949 [0,2,0,0,0,0|1,0,0]=3 17021 B13R0.336 C=CCCCCCCCCOCCC 34a_100011215194_100000210303 [0,2,0,0,0,0|1,0,0]=3 17022 B13R0.336 C=CCCCCCCCCOCCC 7a_100011215194_100000210303 [0,2,0,0,0,0|1,0,0]=3 17023 B13R0.336 C=CCCCCCCCCOCCF 34a_100011215194_100011217306 [0,2,0,0,0,0|1,0,0]=3 17024 B13R0.336 C=CCCCCCCCCOCCF 7a_100011215194_100011217306 [0,2,0,0,0,0|1,0,0]=3 17025 B13R0.336 C=CCCCCCCCCOCCN 34a_100000210304_100011933949 [0,2,0,0,0,0|1,0,0]=3 17026 B13R0.336 C=CCCCCCCCCOCCO 34a_100011215194_100000211926 [0,2,0,0,0,0|1,0,0]=3 17027 B13R0.336 C=CCCCCCCCCOCCO 7a_100011215194_100000211926 [0,2,0,0,0,0|1,0,0]=3 17028 B13R0.336 C=CCCCCCCCCOCSC 34a_100011215194_100011218213 [0,2,0,0,0,0|1,0,0]=3 17029 B13R0.336 C=CCCCCCCCCSCC#N 62a_100011215382_100011933949 [0,2,0,0,0,0|1,0,1]=4 17030 B13R0.336 C=CCCCCCCCCSCC#N 62a_100011933949_100011215382 [0,2,0,0,0,0|1,0,1]=4 17031 B13R0.336 C=CCCCCCCCCSCC=C 62a_100000210623_100011933949 [0,2,0,0,0,0|1,0,1]=4 17032 B13R0.336 C=CCCCCCCCCSCC=C 62a_100011933949_100000210623 [0,2,0,0,0,0|1,0,1]=4 17033 B13R0.336 C=CCCCCCCCCSCC=O 62a_100011933949_200015260668 [0,2,0,0,0,0|0,0,1]=3 17034 B13R0.336 C=CCCCCCCCCSCC=O 62a_200015260668_100011933949 [0,2,0,0,0,0|0,0,1]=3 17035 B13R0.336 C=CCCCCCCCCSCCF 62a_100011217306_100011933949 [0,2,0,0,0,0|1,0,0]=3 17036 B13R0.336 C=CCCCCCCCCSCCF 62a_100011933949_100011217306 [0,2,0,0,0,0|1,0,0]=3 17037 B13R0.336 C=CCCCCCCCCSCCO 62a_100000211926_100011933949 [0,2,0,0,0,0|1,0,0]=3 17038 B13R0.336 C=CCCCCCCCCSCCO 62a_100011933949_100000211926 [0,2,0,0,0,0|1,0,0]=3 17039 B13R0.336 C=CCCCCCCCCSCOC 62a_100000766300_100011933949 [0,2,0,0,0,0|1,0,0]=3 17040 B13R0.336 C=CCCCCCCCCSCOC 62a_100011933949_100000766300 [0,2,0,0,0,0|1,0,0]=3 17041 B13R0.336 C=CCCCCCCCCSCSC 62a_100011218213_100011933949 [0,2,0,0,0,0|1,0,0]=3 17042 B13R0.336 C=CCCCCCCCCSCSC 62a_100011933949_100011218213 [0,2,0,0,0,0|1,0,0]=3 17043 B13R0.336 C=CCCCCCCCNCC#CC 2230a_100000685387_100012355270 [0,2,0,0,0,0|1,0,1]=4 17044 B13R0.336 C=CCCCCCCCNCC#CC 34a_100000685387_100012355270 [0,2,0,0,0,0|1,0,1]=4 17045 B13R0.336 C=CCCCCCCCNCCC=C 2230a_100015191253_100012355270 [0,2,0,0,0,0|1,0,1]=4 17046 B13R0.336 C=CCCCCCCCNCCCC 2230a_100000102301_100012355270 [0,2,0,0,0,0|1,0,0]=3 17047 B13R0.336 C=CCCCCCCCNCCCC 7a_106832991798_100012355270 [0,2,0,0,0,0|1,0,0]=3 17048 B13R0.336 C=CCCCCCCCNCCCF 2230a_100015189416_100012355270 [0,2,0,0,0,0|1,0,0]=3 17049 B13R0.336 C=CCCCCCCCNCCCF 34a_100015189416_100012355270 [0,2,0,0,0,0|1,0,0]=3 17050 B13R0.336 C=CCCCCCCCNCCOC 2230a_100000209980_100012355270 [0,2,0,0,0,0|1,0,0]=3 17051 B13R0.336 C=CCCCCCCCNCCSC 2230a_100020590264_100012355270 [0,2,0,0,0,0|1,0,0]=3 17052 B13R0.336 C=CCCCCCCCOC/C=C/C 34a_100000730831_100102629194 [0,2,0,0,0,0|1,0,1]=4 17053 B13R0.336 C=CCCCCCCCOC/C=C/C 34a_100016270725_100012355270 [0,2,0,0,0,0|1,0,1]=4 17054 B13R0.336 C=CCCCCCCCOC/C=C/C 7a_100000730831_100102629194 [0,2,0,0,0,0|1,0,1]=4 17055 B13R0.336 C=CCCCCCCCOCC#CC 34a_100000730831_100000748600 [0,2,0,0,0,0|1,0,1]=4 17056 B13R0.336 C=CCCCCCCCOCC#CC 34a_100000761923_100012355270 [0,2,0,0,0,0|1,0,1]=4 17057 B13R0.336 C=CCCCCCCCOCC#CC 7a_100000730831_100000748600 [0,2,0,0,0,0|1,0,1]=4 17058 B13R0.336 C=CCCCCCCCOCC=CC 34a_100000730831_100000070051 [0,2,0,0,0,0|1,0,1]=4 17059 B13R0.336 C=CCCCCCCCOCC=CC 7a_100000730831_100000070051 [0,2,0,0,0,0|1,0,1]=4 17060 B13R0.336 C=CCCCCCCCOCCC#N 7a_100000730831_100000184422 [0,2,0,0,0,0|1,0,1]=4 17061 B13R0.336 C=CCCCCCCCOCCC=C 34a_100000730831_100000754431 [0,2,0,0,0,0|1,0,1]=4 17062 B13R0.336 C=CCCCCCCCOCCC=C 34a_100011205117_100012355270 [0,2,0,0,0,0|1,0,1]=4 17063 B13R0.336 C=CCCCCCCCOCCC=C 7a_100000730831_100000754431 [0,2,0,0,0,0|1,0,1]=4 17064 B13R0.336 C=CCCCCCCCOCCCBr 34a_100011217188_100012355270 [0,2,0,0,0,0|1,0,0]=3 17065 B13R0.336 C=CCCCCCCCOCCCC 34a_100000210227_100012355270 [0,2,0,0,0,0|1,0,0]=3 17066 B13R0.336 C=CCCCCCCCOCCCC 34a_100000730831_100000210210 [0,2,0,0,0,0|1,0,0]=3 17067 B13R0.336 C=CCCCCCCCOCCCC 7a_100000210227_100012355270 [0,2,0,0,0,0|1,0,0]=3 17068 B13R0.336 C=CCCCCCCCOCCCC 7a_100000730831_100000210211 [0,2,0,0,0,0|1,0,0]=3 17069 B13R0.336 C=CCCCCCCCOCCCCl 34a_100000230001_100012355270 [0,2,0,0,0,0|1,0,0]=3 17070 B13R0.336 C=CCCCCCCCOCCCF 34a_100000730831_100011934791 [0,2,0,0,0,0|1,0,0]=3 17071 B13R0.336 C=CCCCCCCCOCCCF 34a_100000759539_100012355270 [0,2,0,0,0,0|1,0,0]=3 17072 B13R0.336 C=CCCCCCCCOCCCF 7a_100000730831_100011934791 [0,2,0,0,0,0|1,0,0]=3 17073 B13R0.336 C=CCCCCCCCOCCCN 34a_100000182051_100012355270 [0,2,0,0,0,0|1,0,0]=3 17074 B13R0.336 C=CCCCCCCCOCCCO 34a_100000730831_100000230001 [0,2,0,0,0,0|1,0,0]=3 17075 B13R0.336 C=CCCCCCCCOCCCO 7a_100000730831_100011215043 [0,2,0,0,0,0|1,0,0]=3 17076 B13R0.336 C=CCCCCCCCOCCOC 34a_100000210237_100012355270 [0,2,0,0,0,0|1,0,0]=3 17077 B13R0.336 C=CCCCCCCCOCCOC 34a_100000730831_100011201679 [0,2,0,0,0,0|1,0,0]=3 17078 B13R0.336 C=CCCCCCCCOCCOC 7a_100000730831_100000233755 [0,2,0,0,0,0|1,0,0]=3 17079 B13R0.336 C=CCCCCCCCOCCON 34a_100000700252_100012355270 [0,2,0,0,0,0|2,0,0]=4 17080 B13R0.336 C=CCCCCCCCOCCSC 34a_100000230434_100012355270 [0,2,0,0,0,0|1,0,0]=3 17081 B13R0.336 C=CCCCCCCCOCCSC 34a_100000730831_100000212216 [0,2,0,0,0,0|1,0,0]=3 17082 B13R0.336 C=CCCCCCCCOCCSC 7a_100000230434_100012355270 [0,2,0,0,0,0|1,0,0]=3 17083 B13R0.336 C=CCCCCCCCOCCSC 7a_100000730831_100000212216 [0,2,0,0,0,0|1,0,0]=3 17084 B13R0.336 C=CCCCCCCCSC/C=C/C 62a_100012355270_100102629194 [0,2,0,0,0,0|1,0,1]=4 17085 B13R0.336 C=CCCCCCCCSC/C=C/C 62a_100102629194_100012355270 [0,2,0,0,0,0|1,0,1]=4 17086 B13R0.336 C=CCCCCCCCSCC#CC 62a_100000748600_100012355270 [0,2,0,0,0,0|1,0,1]=4 17087 B13R0.336 C=CCCCCCCCSCC#CC 62a_100012355270_100000748600 [0,2,0,0,0,0|1,0,1]=4 17088 B13R0.336 C=CCCCCCCCSCC=CC 62a_100000070051_100012355270 [0,2,0,0,0,0|1,0,1]=4 17089 B13R0.336 C=CCCCCCCCSCC=CC 62a_100012355270_100000070051 [0,2,0,0,0,0|1,0,1]=4 17090 B13R0.336 C=CCCCCCCCSCCC#N 62a_100011215226_100012355270 [0,2,0,0,0,0|1,0,1]=4 17091 B13R0.336 C=CCCCCCCCSCCC#N 62a_100012355270_100011215226 [0,2,0,0,0,0|1,0,1]=4 17092 B13R0.336 C=CCCCCCCCSCCC=C 62a_100000754431_100012355270 [0,2,0,0,0,0|1,0,1]=4 17093 B13R0.336 C=CCCCCCCCSCCC=C 62a_100012355270_100000754431 [0,2,0,0,0,0|1,0,1]=4 17094 B13R0.336 C=CCCCCCCCSCCCF 62a_100011934791_100012355270 [0,2,0,0,0,0|1,0,0]=3 17095 B13R0.336 C=CCCCCCCCSCCCF 62a_100012355270_100011934791 [0,2,0,0,0,0|1,0,0]=3 17096 B13R0.336 C=CCCCCCCCSCCCO 62a_100011215043_100012355270 [0,2,0,0,0,0|1,0,0]=3 17097 B13R0.336 C=CCCCCCCCSCCCO 62a_100012355270_100011215043 [0,2,0,0,0,0|1,0,0]=3 17098 B13R0.336 C=CCCCCCCCSCCOC 62a_100000233755_100012355270 [0,2,0,0,0,0|1,0,0]=3 17099 B13R0.336 C=CCCCCCCCSCCOC 62a_100012355270_100000233755 [0,2,0,0,0,0|1,0,0]=3 17100 B13R0.336 C=CCCCCCCCSCCSC 62a_100000212216_100012355270 [0,2,0,0,0,0|1,0,0]=3 17101 B13R0.336 C=CCCCCCCCSCCSC 62a_100012355270_100000751147 [0,2,0,0,0,0|1,0,0]=3 17102 B13R0.336 C=CCCCCCCCSCOCC 62a_100000739092_100012355270 [0,2,0,0,0,0|1,0,0]=3 17103 B13R0.336 C=CCCCCCCCSCOCC 62a_100012355270_100000739092 [0,2,0,0,0,0|1,0,0]=3 17104 B13R0.336 C=CCCCCCCNCCCC=C 2230a_100000700776_100011215473 [0,2,0,0,0,0|1,0,1]=4 17105 B13R0.336 C=CCCCCCCNCCCC=C 34a_100000700776_100011215473 [0,2,0,0,0,0|1,0,1]=4 17106 B13R0.336 C=CCCCCCCNCCCCC 2230a_100000209983_100011215473 [0,2,0,0,0,0|1,0,0]=3 17107 B13R0.336 C=CCCCCCCNCCCCO 2230a_100000750430_100011215473 [0,2,0,0,0,0|1,0,0]=3 17108 B13R0.336 C=CCCCCCCNCCCCO 34a_100000750430_100011215473 [0,2,0,0,0,0|1,0,0]=3 17109 B13R0.336 C=CCCCCCCNCCCOC 34a_100150723488_100011215473 [0,2,0,0,0,0|1,0,0]=3 17110 B13R0.336 C=CCCCCCCNCCCSC 2230a_100000749238_100011215473 [0,2,0,0,0,0|1,0,0]=3 17111 B13R0.336 C=CCCCCCCNCCOCC 2230a_102516460346_100011215473 [0,2,0,0,0,0|1,0,0]=3 17112 B13R0.336 C=CCCCCCCNCCOCC 34a_102516460346_100011215473 [0,2,0,0,0,0|1,0,0]=3 17113 B13R0.336 C=CCCCCCCNCCSCC 2230a_100000106463_100011215473 [0,2,0,0,0,0|1,0,0]=3 17114 B13R0.336 C=CCCCCCCOC/C=C\CC 34a_100016268518_100011215473 [0,2,0,0,0,0|1,0,1]=4 17115 B13R0.336 C=CCCCCCCOC/C=C\CC 34a_200011216477_100103147603 [0,2,0,0,0,0|1,0,1]=4 17116 B13R0.336 C=CCCCCCCOC/C=C\CC 7a_200011216477_100103147603 [0,2,0,0,0,0|1,0,1]=4 17117 B13R0.336 C=CCCCCCCOCC#CCC 34a_100000032950_100011215473 [0,2,0,0,0,0|1,0,1]=4 17118 B13R0.336 C=CCCCCCCOCC#CCC 34a_200011216477_100009813939 [0,2,0,0,0,0|1,0,1]=4 17119 B13R0.336 C=CCCCCCCOCC#CCC 7a_200011216477_100009813939 [0,2,0,0,0,0|1,0,1]=4 17120 B13R0.336 C=CCCCCCCOCC/C=C/C 34a_100016278192_100011215473 [0,2,0,0,0,0|1,0,1]=4 17121 B13R0.336 C=CCCCCCCOCCC#CC 34a_100000750427_100011215473 [0,2,0,0,0,0|1,0,1]=4 17122 B13R0.336 C=CCCCCCCOCCCC#N 7a_200011216477_100000687738 [0,2,0,0,0,0|1,0,1]=4 17123 B13R0.336 C=CCCCCCCOCCCC=C 34a_100000758997_100011215473 [0,2,0,0,0,0|1,0,1]=4 17124 B13R0.336 C=CCCCCCCOCCCC=C 34a_200011216477_100000757094 [0,2,0,0,0,0|1,0,1]=4 17125 B13R0.336 C=CCCCCCCOCCCC=C 7a_100000758997_100011215473 [0,2,0,0,0,0|1,0,1]=4 17126 B13R0.336 C=CCCCCCCOCCCC=C 7a_200011216477_100000757094 [0,2,0,0,0,0|1,0,1]=4 17127 B13R0.336 C=CCCCCCCOCCCC=O 7a_200011216477_200011292268 [0,2,0,0,0,0|0,0,1]=3 17128 B13R0.336 C=CCCCCCCOCCCCBr 34a_100011216708_100011215473 [0,2,0,0,0,0|1,0,0]=3 17129 B13R0.336 C=CCCCCCCOCCCCC 34a_100000210253_100011215473 [0,2,0,0,0,0|1,0,0]=3 17130 B13R0.336 C=CCCCCCCOCCCCC 34a_200011216477_100000718602 [0,2,0,0,0,0|1,0,0]=3 17131 B13R0.336 C=CCCCCCCOCCCCC 7a_100000210253_100011215473 [0,2,0,0,0,0|1,0,0]=3 17132 B13R0.336 C=CCCCCCCOCCCCC 7a_200011216477_100000210326 [0,2,0,0,0,0|1,0,0]=3 17133 B13R0.336 C=CCCCCCCOCCCCCl 34a_100000210776_100011215473 [0,2,0,0,0,0|1,0,0]=3 17134 B13R0.336 C=CCCCCCCOCCCCCl 7a_100000210776_100011215473 [0,2,0,0,0,0|1,0,0]=3 17135 B13R0.336 C=CCCCCCCOCCCCF 34a_100011995726_100011215473 [0,2,0,0,0,0|1,0,0]=3 17136 B13R0.336 C=CCCCCCCOCCCCF 34a_200011216477_100000729493 [0,2,0,0,0,0|1,0,0]=3 17137 B13R0.336 C=CCCCCCCOCCCCF 7a_100011995726_100011215473 [0,2,0,0,0,0|1,0,0]=3 17138 B13R0.336 C=CCCCCCCOCCCCF 7a_200011216477_100000729493 [0,2,0,0,0,0|1,0,0]=3 17139 B13R0.336 C=CCCCCCCOCCCCI 34a_200012148704_100011215473 [0,2,0,0,0,0|1,0,0]=3 17140 B13R0.336 C=CCCCCCCOCCCCN 34a_100000750430_100011215473 [0,2,0,0,0,0|1,0,0]=3 17141 B13R0.336 C=CCCCCCCOCCCCO 34a_200011216477_100011216708 [0,2,0,0,0,0|1,0,0]=3 17142 B13R0.336 C=CCCCCCCOCCCCO 7a_200011216477_100000210776 [0,2,0,0,0,0|1,0,0]=3 17143 B13R0.336 C=CCCCCCCOCCCNC 34a_100000213112_100011215473 [0,2,0,0,0,0|1,0,0]=3 17144 B13R0.336 C=CCCCCCCOCCCOC 34a_100000740835_100011215473 [0,2,0,0,0,0|1,0,0]=3 17145 B13R0.336 C=CCCCCCCOCCCOC 34a_200011216477_100000740836 [0,2,0,0,0,0|1,0,0]=3 17146 B13R0.336 C=CCCCCCCOCCCOC 7a_200011216477_100000740836 [0,2,0,0,0,0|1,0,0]=3 17147 B13R0.336 C=CCCCCCCOCCCSC 34a_100000690336_100011215473 [0,2,0,0,0,0|1,0,0]=3 17148 B13R0.336 C=CCCCCCCOCCCSC 7a_100000690336_100011215473 [0,2,0,0,0,0|1,0,0]=3 17149 B13R0.336 C=CCCCCCCOCCOCC 34a_100000210136_100011215473 [0,2,0,0,0,0|1,0,0]=3 17150 B13R0.336 C=CCCCCCCOCCOCC 34a_200011216477_100000210147 [0,2,0,0,0,0|1,0,0]=3 17151 B13R0.336 C=CCCCCCCOCCOCC 7a_100000210136_100011215473 [0,2,0,0,0,0|1,0,0]=3 17152 B13R0.336 C=CCCCCCCOCCOCC 7a_200011216477_100011215890 [0,2,0,0,0,0|1,0,0]=3 17153 B13R0.336 C=CCCCCCCOCCSCC 34a_100000212035_100011215473 [0,2,0,0,0,0|1,0,0]=3 17154 B13R0.336 C=CCCCCCCOCCSCC 34a_200011216477_100000757381 [0,2,0,0,0,0|1,0,0]=3 17155 B13R0.336 C=CCCCCCCOCCSCC 7a_100000212035_100011215473 [0,2,0,0,0,0|1,0,0]=3 17156 B13R0.336 C=CCCCCCCOCCSCC 7a_200011216477_100000757381 [0,2,0,0,0,0|1,0,0]=3 17157 B13R0.336 C=CCCCCCCSC/C=C\CC 62a_100011215473_100103147603 [0,2,0,0,0,0|1,0,1]=4 17158 B13R0.336 C=CCCCCCCSC/C=C\CC 62a_100103147603_100011215473 [0,2,0,0,0,0|1,0,1]=4 17159 B13R0.336 C=CCCCCCCSCC#CCC 62a_100009813939_100011215473 [0,2,0,0,0,0|1,0,1]=4 17160 B13R0.336 C=CCCCCCCSCC#CCC 62a_100011215473_100009813939 [0,2,0,0,0,0|1,0,1]=4 17161 B13R0.336 C=CCCCCCCSCCCC#N 62a_100000687738_100011215473 [0,2,0,0,0,0|1,0,1]=4 17162 B13R0.336 C=CCCCCCCSCCCC#N 62a_100011215473_100000687738 [0,2,0,0,0,0|1,0,1]=4 17163 B13R0.336 C=CCCCCCCSCCCC=C 62a_100011215473_100000757094 [0,2,0,0,0,0|1,0,1]=4 17164 B13R0.336 C=CCCCCCCSCCCC=C 62a_100011713584_100011215473 [0,2,0,0,0,0|1,0,1]=4 17165 B13R0.336 C=CCCCCCCSCCCC=O 62a_100011215473_200011292268 [0,2,0,0,0,0|0,0,1]=3 17166 B13R0.336 C=CCCCCCCSCCCC=O 62a_200011292268_100011215473 [0,2,0,0,0,0|0,0,1]=3 17167 B13R0.336 C=CCCCCCCSCCCCF 62a_100000729493_100011215473 [0,2,0,0,0,0|1,0,0]=3 17168 B13R0.336 C=CCCCCCCSCCCCF 62a_100011215473_100000729493 [0,2,0,0,0,0|1,0,0]=3 17169 B13R0.336 C=CCCCCCCSCCCCO 62a_100000210776_100011215473 [0,2,0,0,0,0|1,0,0]=3 17170 B13R0.336 C=CCCCCCCSCCCCO 62a_100011215473_100000210776 [0,2,0,0,0,0|1,0,0]=3 17171 B13R0.336 C=CCCCCCCSCCCOC 62a_100000709357_100011215473 [0,2,0,0,0,0|1,0,0]=3 17172 B13R0.336 C=CCCCCCCSCCCOC 62a_100011215473_100000709357 [0,2,0,0,0,0|1,0,0]=3 17173 B13R0.336 C=CCCCCCCSCCOCC 62a_100000210147_100011215473 [0,2,0,0,0,0|1,0,0]=3 17174 B13R0.336 C=CCCCCCCSCCOCC 62a_100011215473_100011215890 [0,2,0,0,0,0|1,0,0]=3 17175 B13R0.336 C=CCCCCCCSCCSCC 62a_100000757381_100011215473 [0,2,0,0,0,0|1,0,0]=3 17176 B13R0.336 C=CCCCCCCSCCSCC 62a_100011215473_100000757381 [0,2,0,0,0,0|1,0,0]=3 17177 B13R0.336 C=CCCCCCNCCCCC=C 2230a_100000703577_100000700193 [0,2,0,0,0,0|1,0,1]=4 17178 B13R0.336 C=CCCCCCNCCCCC=C 34a_100000703577_100000700193 [0,2,0,0,0,0|1,0,1]=4 17179 B13R0.336 C=CCCCCCNCCCCCC 2230a_100000210581_100000700193 [0,2,0,0,0,0|1,0,0]=3 17180 B13R0.336 C=CCCCCCNCCCCCO 2230a_100000762737_100000700193 [0,2,0,0,0,0|1,0,0]=3 17181 B13R0.336 C=CCCCCCNCCCCCO 34a_100000762737_100000700193 [0,2,0,0,0,0|1,0,0]=3 17182 B13R0.336 C=CCCCCCNCCCOCC 2230a_100000210961_100000700193 [0,2,0,0,0,0|1,0,0]=3 17183 B13R0.336 C=CCCCCCNCCCOCC 34a_100000210961_100000700193 [0,2,0,0,0,0|1,0,0]=3 17184 B13R0.336 C=CCCCCCNCCOCCC 2230a_100161115042_100000700193 [0,2,0,0,0,0|1,0,0]=3 17185 B13R0.336 C=CCCCCCNCCOCCC 34a_100161115042_100000700193 [0,2,0,0,0,0|1,0,0]=3 17186 B13R0.336 C=CCCCCCNCCOCCO 2230a_100000211614_100000700193 [0,2,0,0,0,0|2,0,0]=4 17187 B13R0.336 C=CCCCCCNCCOCCO 34a_100000211614_100000700193 [0,2,0,0,0,0|2,0,0]=4 17188 B13R0.336 C=CCCCCCNCCSCCC 2230a_100020603323_100000700193 [0,2,0,0,0,0|1,0,0]=3 17189 B13R0.336 C=CCCCCCNCCSCCO 2230a_100011219999_100000700193 [0,2,0,0,0,0|2,0,0]=4 17190 B13R0.336 C=CCCCCCOC/C=C/CCC 34a_100016278788_100000700193 [0,2,0,0,0,0|1,0,1]=4 17191 B13R0.336 C=CCCCCCOC/C=C/CCC 7a_100016278788_100000700193 [0,2,0,0,0,0|1,0,1]=4 17192 B13R0.336 C=CCCCCCOCC#CCCC 34a_100000034806_100000700193 [0,2,0,0,0,0|1,0,1]=4 17193 B13R0.336 C=CCCCCCOCC#CCCC 7a_100000034806_100000700193 [0,2,0,0,0,0|1,0,1]=4 17194 B13R0.336 C=CCCCCCOCC/C=C\CC 34a_100011216702_100015370543 [0,2,0,0,0,0|1,0,1]=4 17195 B13R0.336 C=CCCCCCOCC/C=C\CC 34a_100016288707_100000700193 [0,2,0,0,0,0|1,0,1]=4 17196 B13R0.336 C=CCCCCCOCC/C=C\CC 7a_100011216702_100015370543 [0,2,0,0,0,0|1,0,1]=4 17197 B13R0.336 C=CCCCCCOCC/C=C\CC 7a_100016288707_100000700193 [0,2,0,0,0,0|1,0,1]=4 17198 B13R0.336 C=CCCCCCOCCC#CCC 34a_100000036655_100000700193 [0,2,0,0,0,0|1,0,1]=4 17199 B13R0.336 C=CCCCCCOCCC#CCC 7a_100000036655_100000700193 [0,2,0,0,0,0|1,0,1]=4 17200 B13R0.336 C=CCCCCCOCCCC=CC 34a_100020645299_100000700193 [0,2,0,0,0,0|1,0,1]=4 17201 B13R0.336 C=CCCCCCOCCCCC#N 7a_100011216702_100000211819 [0,2,0,0,0,0|1,0,1]=4 17202 B13R0.336 C=CCCCCCOCCCCC=C 34a_100000766645_100000700193 [0,2,0,0,0,0|1,0,1]=4 17203 B13R0.336 C=CCCCCCOCCCCC=C 34a_100011216702_100011215482 [0,2,0,0,0,0|1,0,1]=4 17204 B13R0.336 C=CCCCCCOCCCCC=C 7a_100000766645_100000700193 [0,2,0,0,0,0|1,0,1]=4 17205 B13R0.336 C=CCCCCCOCCCCC=C 7a_100011216702_100011215482 [0,2,0,0,0,0|1,0,1]=4 17206 B13R0.336 C=CCCCCCOCCCCC=O 7a_100011216702_100000139335 [0,2,0,0,0,0|0,0,1]=3 17207 B13R0.336 C=CCCCCCOCCCCCBr 34a_100000746331_100000700193 [0,2,0,0,0,0|1,0,0]=3 17208 B13R0.336 C=CCCCCCOCCCCCBr 7a_100000746331_100000700193 [0,2,0,0,0,0|1,0,0]=3 17209 B13R0.336 C=CCCCCCOCCCCCC 34a_100000210259_100000700193 [0,2,0,0,0,0|1,0,0]=3 17210 B13R0.336 C=CCCCCCOCCCCCC 34a_100011216702_100000210314 [0,2,0,0,0,0|1,0,0]=3 17211 B13R0.336 C=CCCCCCOCCCCCC 7a_100000210259_100000700193 [0,2,0,0,0,0|1,0,0]=3 17212 B13R0.336 C=CCCCCCOCCCCCC 7a_100011216702_100000210314 [0,2,0,0,0,0|1,0,0]=3 17213 B13R0.336 C=CCCCCCOCCCCCCl 34a_100000746330_100000700193 [0,2,0,0,0,0|1,0,0]=3 17214 B13R0.336 C=CCCCCCOCCCCCCl 7a_100000746330_100000700193 [0,2,0,0,0,0|1,0,0]=3 17215 B13R0.336 C=CCCCCCOCCCCCF 34a_100011216702_100000729378 [0,2,0,0,0,0|1,0,0]=3 17216 B13R0.336 C=CCCCCCOCCCCCF 7a_100011216702_100000729378 [0,2,0,0,0,0|1,0,0]=3 17217 B13R0.336 C=CCCCCCOCCCCCI 34a_200012148887_100000700193 [0,2,0,0,0,0|1,0,0]=3 17218 B13R0.336 C=CCCCCCOCCCCCI 7a_200012148887_100000700193 [0,2,0,0,0,0|1,0,0]=3 17219 B13R0.336 C=CCCCCCOCCCCCN 34a_100000762737_100000700193 [0,2,0,0,0,0|1,0,0]=3 17220 B13R0.336 C=CCCCCCOCCCCCO 34a_100011216702_100000746330 [0,2,0,0,0,0|1,0,0]=3 17221 B13R0.336 C=CCCCCCOCCCCCO 7a_100011216702_100000746330 [0,2,0,0,0,0|1,0,0]=3 17222 B13R0.336 C=CCCCCCOCCCCOC 34a_100000740925_100000700193 [0,2,0,0,0,0|1,0,0]=3 17223 B13R0.336 C=CCCCCCOCCCCOC 34a_100011216702_100000755781 [0,2,0,0,0,0|1,0,0]=3 17224 B13R0.336 C=CCCCCCOCCCCOC 7a_100011216702_100000730899 [0,2,0,0,0,0|1,0,0]=3 17225 B13R0.336 C=CCCCCCOCCCCSC 34a_100011217163_100000700193 [0,2,0,0,0,0|1,0,0]=3 17226 B13R0.336 C=CCCCCCOCCCCSC 7a_100011217163_100000700193 [0,2,0,0,0,0|1,0,0]=3 17227 B13R0.336 C=CCCCCCOCCCOCC 34a_100000757476_100000700193 [0,2,0,0,0,0|1,0,0]=3 17228 B13R0.336 C=CCCCCCOCCCOCC 34a_100011216702_100012232248 [0,2,0,0,0,0|1,0,0]=3 17229 B13R0.336 C=CCCCCCOCCCOCC 7a_100000757476_100000700193 [0,2,0,0,0,0|1,0,0]=3 17230 B13R0.336 C=CCCCCCOCCCOCC 7a_100011216702_100012232248 [0,2,0,0,0,0|1,0,0]=3 17231 B13R0.336 C=CCCCCCOCCCSCC 34a_100011216438_100000700193 [0,2,0,0,0,0|1,0,0]=3 17232 B13R0.336 C=CCCCCCOCCCSCC 7a_100011216438_100000700193 [0,2,0,0,0,0|1,0,0]=3 17233 B13R0.336 C=CCCCCCOCCOCCBr 34a_100000692535_100000700193 [0,2,0,0,0,0|2,0,0]=4 17234 B13R0.336 C=CCCCCCOCCOCCBr 7a_100000692535_100000700193 [0,2,0,0,0,0|2,0,0]=4 17235 B13R0.336 C=CCCCCCOCCOCCC 34a_100000752267_100000700193 [0,2,0,0,0,0|1,0,0]=3 17236 B13R0.336 C=CCCCCCOCCOCCC 34a_100011216702_100011215938 [0,2,0,0,0,0|1,0,0]=3 17237 B13R0.336 C=CCCCCCOCCOCCC 7a_100000752267_100000700193 [0,2,0,0,0,0|1,0,0]=3 17238 B13R0.336 C=CCCCCCOCCOCCC 7a_100011216702_100011215938 [0,2,0,0,0,0|1,0,0]=3 17239 B13R0.336 C=CCCCCCOCCOCCCl 34a_100011215305_100000700193 [0,2,0,0,0,0|2,0,0]=4 17240 B13R0.336 C=CCCCCCOCCOCCCl 7a_100011215305_100000700193 [0,2,0,0,0,0|2,0,0]=4 17241 B13R0.336 C=CCCCCCOCCOCCF 34a_200015357709_100000700193 [0,2,0,0,0,0|2,0,0]=4 17242 B13R0.336 C=CCCCCCOCCOCCF 7a_200015357709_100000700193 [0,2,0,0,0,0|2,0,0]=4 17243 B13R0.336 C=CCCCCCOCCOCCI 34a_100012149058_100000700193 [0,2,0,0,0,0|2,0,0]=4 17244 B13R0.336 C=CCCCCCOCCOCCI 7a_100012149058_100000700193 [0,2,0,0,0,0|2,0,0]=4 17245 B13R0.336 C=CCCCCCOCCOCCN 34a_100000211614_100000700193 [0,2,0,0,0,0|2,0,0]=4 17246 B13R0.336 C=CCCCCCOCCOCCO 34a_100011216702_100000692535 [0,2,0,0,0,0|2,0,0]=4 17247 B13R0.336 C=CCCCCCOCCOCCO 7a_100011216702_100011215305 [0,2,0,0,0,0|2,0,0]=4 17248 B13R0.336 C=CCCCCCOCCSCCC 34a_200000230433_100000700193 [0,2,0,0,0,0|1,0,0]=3 17249 B13R0.336 C=CCCCCCOCCSCCC 7a_200000230433_100000700193 [0,2,0,0,0,0|1,0,0]=3 17250 B13R0.336 C=CCCCCCOCOCCCC 34a_100011216702_100011995733 [0,2,0,0,0,0|1,0,0]=3 17251 B13R0.336 C=CCCCCCSCC/C=C\CC 62a_100000700193_100015370543 [0,2,0,0,0,0|1,0,1]=4 17252 B13R0.336 C=CCCCCCSCC/C=C\CC 62a_100015370543_100000700193 [0,2,0,0,0,0|1,0,1]=4 17253 B13R0.336 C=CCCCCCSCCCCC#N 62a_100000700193_100000211819 [0,2,0,0,0,0|1,0,1]=4 17254 B13R0.336 C=CCCCCCSCCCCC#N 62a_100011219923_100000700193 [0,2,0,0,0,0|1,0,1]=4 17255 B13R0.336 C=CCCCCCSCCCCC=C 62a_100000700193_100011215482 [0,2,0,0,0,0|1,0,1]=4 17256 B13R0.336 C=CCCCCCSCCCCC=C 62a_100011215482_100000700193 [0,2,0,0,0,0|1,0,1]=4 17257 B13R0.336 C=CCCCCCSCCCCC=O 62a_100000139335_100000700193 [0,2,0,0,0,0|0,0,1]=3 17258 B13R0.336 C=CCCCCCSCCCCC=O 62a_100000700193_100000139335 [0,2,0,0,0,0|0,0,1]=3 17259 B13R0.336 C=CCCCCCSCCCCCF 62a_100000700193_100000729378 [0,2,0,0,0,0|1,0,0]=3 17260 B13R0.336 C=CCCCCCSCCCCCF 62a_100000729378_100000700193 [0,2,0,0,0,0|1,0,0]=3 17261 B13R0.336 C=CCCCCCSCCCCCO 62a_100000700193_100000746330 [0,2,0,0,0,0|1,0,0]=3 17262 B13R0.336 C=CCCCCCSCCCCCO 62a_100000746330_100000700193 [0,2,0,0,0,0|1,0,0]=3 17263 B13R0.336 C=CCCCCCSCCCCOC 62a_100000700193_100000730899 [0,2,0,0,0,0|1,0,0]=3 17264 B13R0.336 C=CCCCCCSCCCCOC 62a_100000730899_100000700193 [0,2,0,0,0,0|1,0,0]=3 17265 B13R0.336 C=CCCCCCSCCCOCC 62a_100000700193_100012232248 [0,2,0,0,0,0|1,0,0]=3 17266 B13R0.336 C=CCCCCCSCCCOCC 62a_100012232248_100000700193 [0,2,0,0,0,0|1,0,0]=3 17267 B13R0.336 C=CCCCCCSCCOCCC 62a_100000700193_100011215938 [0,2,0,0,0,0|1,0,0]=3 17268 B13R0.336 C=CCCCCCSCCOCCC 62a_100011215938_100000700193 [0,2,0,0,0,0|1,0,0]=3 17269 B13R0.336 C=CCCCCCSCCOCCO 62a_100000700193_100011215305 [0,2,0,0,0,0|2,0,0]=4 17270 B13R0.336 C=CCCCCCSCCOCCO 62a_100011215305_100000700193 [0,2,0,0,0,0|2,0,0]=4 17271 B13R0.336 C=CCCCCCSCOCCCC 62a_100000700193_100011995733 [0,2,0,0,0,0|1,0,0]=3 17272 B13R0.336 C=CCCCCCSCOCCCC 62a_100011995733_100000700193 [0,2,0,0,0,0|1,0,0]=3 17273 B13R0.336 C=CCCCCCSCOCCOC 62a_100000231047_100000700193 [0,2,0,0,0,0|2,0,0]=4 17274 B13R0.336 C=CCCCCCSCOCCOC 62a_100000700193_100000231047 [0,2,0,0,0,0|2,0,0]=4 17275 B13R0.336 C=CCCCCNCCCCCC#N 2230a_100000703577_100009813376 [0,2,0,0,0,0|1,0,1]=4 17276 B13R0.336 C=CCCCCNCCCCCC=O 2230a_100000703577_100000139337 [0,2,0,0,0,0|0,0,1]=3 17277 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000229938_100011215482 [0,2,0,0,0,0|1,0,0]=3 17278 B13R0.336 C=CCCCCNCCCCCCC 2230a_100000703577_100000210681 [0,2,0,0,0,0|1,0,0]=3 17279 B13R0.336 C=CCCCCNCCCCCCC 34a_100000703577_100000210614 [0,2,0,0,0,0|1,0,0]=3 17280 B13R0.336 C=CCCCCNCCCCCCF 2230a_100000703577_100015922095 [0,2,0,0,0,0|1,0,0]=3 17281 B13R0.336 C=CCCCCNCCCCCCF 34a_100000703577_100015922095 [0,2,0,0,0,0|1,0,0]=3 17282 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000686447_100011215482 [0,2,0,0,0,0|1,0,0]=3 17283 B13R0.336 C=CCCCCNCCCCCCO 2230a_100000703577_100000766143 [0,2,0,0,0,0|1,0,0]=3 17284 B13R0.336 C=CCCCCNCCCCCCO 34a_100000686447_100011215482 [0,2,0,0,0,0|1,0,0]=3 17285 B13R0.336 C=CCCCCNCCCCCCO 34a_100000703577_100000766143 [0,2,0,0,0,0|1,0,0]=3 17286 B13R0.336 C=CCCCCNCCCCCOC 2230a_100000747528_100011215482 [0,2,0,0,0,0|1,0,0]=3 17287 B13R0.336 C=CCCCCNCCCCCOC 34a_100000747528_100011215482 [0,2,0,0,0,0|1,0,0]=3 17288 B13R0.336 C=CCCCCNCCCOCCC 2230a_100011217757_100011215482 [0,2,0,0,0,0|1,0,0]=3 17289 B13R0.336 C=CCCCCNCCCOCCC 34a_100011217757_100011215482 [0,2,0,0,0,0|1,0,0]=3 17290 B13R0.336 C=CCCCCNCCOCCCC 2230a_100000703577_100000743108 [0,2,0,0,0,0|1,0,0]=3 17291 B13R0.336 C=CCCCCNCCOCCCC 34a_100000703577_100000743108 [0,2,0,0,0,0|1,0,0]=3 17292 B13R0.336 C=CCCCCNCCOCCOC 2230a_100000703577_100000695917 [0,2,0,0,0,0|2,0,0]=4 17293 B13R0.336 C=CCCCCNCCOCCOC 2230a_100000745349_100011215482 [0,2,0,0,0,0|2,0,0]=4 17294 B13R0.336 C=CCCCCNCCOCCOC 34a_100000703577_100000695917 [0,2,0,0,0,0|2,0,0]=4 17295 B13R0.336 C=CCCCCNCCOCCOC 34a_100000745349_100011215482 [0,2,0,0,0,0|2,0,0]=4 17296 B13R0.336 C=CCCCCNCCSCCCC 2230a_100025743550_100011215482 [0,2,0,0,0,0|1,0,0]=3 17297 B13R0.336 C=CCCCCOC/C=C/CCCC 34a_200016272032_100011215482 [0,2,0,0,0,0|1,0,1]=4 17298 B13R0.336 C=CCCCCOC/C=C/CCCC 7a_200016272032_100011215482 [0,2,0,0,0,0|1,0,1]=4 17299 B13R0.336 C=CCCCCOCC#CCCCC 34a_200000034558_100011215482 [0,2,0,0,0,0|1,0,1]=4 17300 B13R0.336 C=CCCCCOCC#CCCCC 7a_200000034558_100011215482 [0,2,0,0,0,0|1,0,1]=4 17301 B13R0.336 C=CCCCCOCCC#CCCC 34a_100000042726_100011215482 [0,2,0,0,0,0|1,0,1]=4 17302 B13R0.336 C=CCCCCOCCC#CCCC 7a_100000042726_100011215482 [0,2,0,0,0,0|1,0,1]=4 17303 B13R0.336 C=CCCCCOCCC/C=C/CC 34a_100016287902_100011215482 [0,2,0,0,0,0|1,0,1]=4 17304 B13R0.336 C=CCCCCOCCC/C=C/CC 7a_100016287902_100011215482 [0,2,0,0,0,0|1,0,1]=4 17305 B13R0.336 C=CCCCCOCCCCCC#N 7a_100000766645_100009813376 [0,2,0,0,0,0|1,0,1]=4 17306 B13R0.336 C=CCCCCOCCCCCC=O 7a_100000766645_100000139337 [0,2,0,0,0,0|0,0,1]=3 17307 B13R0.336 C=CCCCCOCCCCCCBr 34a_100011215345_100011215482 [0,2,0,0,0,0|1,0,0]=3 17308 B13R0.336 C=CCCCCOCCCCCCBr 7a_100011215345_100011215482 [0,2,0,0,0,0|1,0,0]=3 17309 B13R0.336 C=CCCCCOCCCCCCC 34a_100000210272_100011215482 [0,2,0,0,0,0|1,0,0]=3 17310 B13R0.336 C=CCCCCOCCCCCCC 34a_100000766645_100000210614 [0,2,0,0,0,0|1,0,0]=3 17311 B13R0.336 C=CCCCCOCCCCCCC 7a_100000210272_100011215482 [0,2,0,0,0,0|1,0,0]=3 17312 B13R0.336 C=CCCCCOCCCCCCC 7a_100000766645_100000210614 [0,2,0,0,0,0|1,0,0]=3 17313 B13R0.336 C=CCCCCOCCCCCCCl 34a_100000766143_100011215482 [0,2,0,0,0,0|1,0,0]=3 17314 B13R0.336 C=CCCCCOCCCCCCCl 7a_100000766143_100011215482 [0,2,0,0,0,0|1,0,0]=3 17315 B13R0.336 C=CCCCCOCCCCCCF 34a_100000732779_100011215482 [0,2,0,0,0,0|1,0,0]=3 17316 B13R0.336 C=CCCCCOCCCCCCF 34a_100000766645_100015922095 [0,2,0,0,0,0|1,0,0]=3 17317 B13R0.336 C=CCCCCOCCCCCCF 7a_100000732779_100011215482 [0,2,0,0,0,0|1,0,0]=3 17318 B13R0.336 C=CCCCCOCCCCCCF 7a_100000766645_100015922095 [0,2,0,0,0,0|1,0,0]=3 17319 B13R0.336 C=CCCCCOCCCCCCN 34a_100000686447_100011215482 [0,2,0,0,0,0|1,0,0]=3 17320 B13R0.336 C=CCCCCOCCCCCCO 34a_100000766645_100000766143 [0,2,0,0,0,0|1,0,0]=3 17321 B13R0.336 C=CCCCCOCCCCCCO 7a_100000766645_100000766143 [0,2,0,0,0,0|1,0,0]=3 17322 B13R0.336 C=CCCCCOCCCCCNC 34a_100000722520_100011215482 [0,2,0,0,0,0|1,0,0]=3 17323 B13R0.336 C=CCCCCOCCOCCCC 34a_100000210238_100011215482 [0,2,0,0,0,0|1,0,0]=3 17324 B13R0.336 C=CCCCCOCCOCCCC 34a_100000766645_100000743108 [0,2,0,0,0,0|1,0,0]=3 17325 B13R0.336 C=CCCCCOCCOCCCC 7a_100000210238_100011215482 [0,2,0,0,0,0|1,0,0]=3 17326 B13R0.336 C=CCCCCOCCOCCCC 7a_100000766645_100000743108 [0,2,0,0,0,0|1,0,0]=3 17327 B13R0.336 C=CCCCCOCCOCCNC 34a_100000228057_100011215482 [0,2,0,0,0,0|2,0,0]=4 17328 B13R0.336 C=CCCCCOCCOCCOC 34a_100000766645_100000695917 [0,2,0,0,0,0|2,0,0]=4 17329 B13R0.336 C=CCCCCOCCOCCOC 34a_100011215163_100011215482 [0,2,0,0,0,0|2,0,0]=4 17330 B13R0.336 C=CCCCCOCCOCCOC 7a_100000766645_100000695917 [0,2,0,0,0,0|2,0,0]=4 17331 B13R0.336 C=CCCCCOCCOCCOC 7a_100011215163_100011215482 [0,2,0,0,0,0|2,0,0]=4 17332 B13R0.336 C=CCCCCOCCSCCCC 34a_200000230436_100011215482 [0,2,0,0,0,0|1,0,0]=3 17333 B13R0.336 C=CCCCCOCCSCCCC 7a_200000230436_100011215482 [0,2,0,0,0,0|1,0,0]=3 17334 B13R0.336 C=CCCCCSCCCCCC#N 62a_100009813376_100011215482 [0,2,0,0,0,0|1,0,1]=4 17335 B13R0.336 C=CCCCCSCCCCCC#N 62a_100011215482_100009813376 [0,2,0,0,0,0|1,0,1]=4 17336 B13R0.336 C=CCCCCSCCCCCC=O 62a_100000139337_100011215482 [0,2,0,0,0,0|0,0,1]=3 17337 B13R0.336 C=CCCCCSCCCCCC=O 62a_100011215482_100000139337 [0,2,0,0,0,0|0,0,1]=3 17338 B13R0.336 C=CCCCCSCCCCCCF 62a_100011215482_100015922095 [0,2,0,0,0,0|1,0,0]=3 17339 B13R0.336 C=CCCCCSCCCCCCF 62a_100015922095_100011215482 [0,2,0,0,0,0|1,0,0]=3 17340 B13R0.336 C=CCCCCSCCCCCCO 62a_100000766143_100011215482 [0,2,0,0,0,0|1,0,0]=3 17341 B13R0.336 C=CCCCCSCCCCCCO 62a_100011215482_100000766143 [0,2,0,0,0,0|1,0,0]=3 17342 B13R0.336 C=CCCCCSCCOCCCC 62a_100000743108_100011215482 [0,2,0,0,0,0|1,0,0]=3 17343 B13R0.336 C=CCCCCSCCOCCCC 62a_100011215482_100000743108 [0,2,0,0,0,0|1,0,0]=3 17344 B13R0.336 C=CCCCCSCCOCCOC 62a_100000695917_100011215482 [0,2,0,0,0,0|2,0,0]=4 17345 B13R0.336 C=CCCCCSCCOCCOC 62a_100011215482_100000695917 [0,2,0,0,0,0|2,0,0]=4 17346 B13R0.336 C=CCCCNCC#CCCCCC 2230a_100000700776_100009816472 [0,2,0,0,0,0|1,0,1]=4 17347 B13R0.336 C=CCCCNCC#CCCCCC 34a_100000700776_100009816472 [0,2,0,0,0,0|1,0,1]=4 17348 B13R0.336 C=CCCCNCCCCCCC#N 2230a_100000700776_100009813337 [0,2,0,0,0,0|1,0,1]=4 17349 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000229939_100011713584 [0,2,0,0,0,0|1,0,0]=3 17350 B13R0.336 C=CCCCNCCCCCCCC 2230a_100000700776_100000210759 [0,2,0,0,0,0|1,0,0]=3 17351 B13R0.336 C=CCCCNCCCCCCCC 34a_100000229939_100000757094 [0,2,0,0,0,0|1,0,0]=3 17352 B13R0.336 C=CCCCNCCCCCCCC 34a_100000700776_100000210759 [0,2,0,0,0,0|1,0,0]=3 17353 B13R0.336 C=CCCCNCCCCCCCO 2230a_100000700776_100000760002 [0,2,0,0,0,0|1,0,0]=3 17354 B13R0.336 C=CCCCNCCCCCCCO 2230a_100011996573_100011713584 [0,2,0,0,0,0|1,0,0]=3 17355 B13R0.336 C=CCCCNCCCCCCCO 34a_100000700776_100000760002 [0,2,0,0,0,0|1,0,0]=3 17356 B13R0.336 C=CCCCNCCCCCCCO 34a_100011996573_100000757094 [0,2,0,0,0,0|1,0,0]=3 17357 B13R0.336 C=CCCCNCCCCCCOC 2230a_100000700776_100011998445 [0,2,0,0,0,0|1,0,0]=3 17358 B13R0.336 C=CCCCNCCCCCCOC 34a_100000700776_100011998445 [0,2,0,0,0,0|1,0,0]=3 17359 B13R0.336 C=CCCCNCCCOCCCC 2230a_200000211371_100011713584 [0,2,0,0,0,0|1,0,0]=3 17360 B13R0.336 C=CCCCNCCCOCCCC 34a_200000211371_100000757094 [0,2,0,0,0,0|1,0,0]=3 17361 B13R0.336 C=CCCCNCCCOCCCO 2230a_100011310245_100011713584 [0,2,0,0,0,0|2,0,0]=4 17362 B13R0.336 C=CCCCNCCCOCCCO 34a_100011310245_100000757094 [0,2,0,0,0,0|2,0,0]=4 17363 B13R0.336 C=CCCCNCCCOCCOC 2230a_100000206027_100011713584 [0,2,0,0,0,0|2,0,0]=4 17364 B13R0.336 C=CCCCNCCCOCCOC 2230a_100000700776_100011216529 [0,2,0,0,0,0|2,0,0]=4 17365 B13R0.336 C=CCCCNCCCOCCOC 34a_100000206027_100000757094 [0,2,0,0,0,0|2,0,0]=4 17366 B13R0.336 C=CCCCNCCCOCCOC 34a_100000700776_100011216529 [0,2,0,0,0,0|2,0,0]=4 17367 B13R0.336 C=CCCCNCCOCCOCC 2230a_100000700776_100011211534 [0,2,0,0,0,0|2,0,0]=4 17368 B13R0.336 C=CCCCNCCOCCOCC 2230a_100102712874_100011713584 [0,2,0,0,0,0|2,0,0]=4 17369 B13R0.336 C=CCCCNCCOCCOCC 34a_100000700776_100011211534 [0,2,0,0,0,0|2,0,0]=4 17370 B13R0.336 C=CCCCNCCOCCOCC 34a_100102712874_100000757094 [0,2,0,0,0,0|2,0,0]=4 17371 B13R0.336 C=CCCCOC/C=C/CCCCC 34a_100016258190_100000757094 [0,2,0,0,0,0|1,0,1]=4 17372 B13R0.336 C=CCCCOC/C=C/CCCCC 7a_100016258190_100000757094 [0,2,0,0,0,0|1,0,1]=4 17373 B13R0.336 C=CCCCOCC#CCCCCC 34a_100000758997_100009816472 [0,2,0,0,0,0|1,0,1]=4 17374 B13R0.336 C=CCCCOCC#CCCCCC 34a_200000033628_100000757094 [0,2,0,0,0,0|1,0,1]=4 17375 B13R0.336 C=CCCCOCC#CCCCCC 7a_100000758997_100009816472 [0,2,0,0,0,0|1,0,1]=4 17376 B13R0.336 C=CCCCOCC#CCCCCC 7a_200000033628_100000757094 [0,2,0,0,0,0|1,0,1]=4 17377 B13R0.336 C=CCCCOCC/C=C\CCCC 34a_200016286491_100000757094 [0,2,0,0,0,0|1,0,1]=4 17378 B13R0.336 C=CCCCOCC/C=C\CCCC 7a_200016286491_100000757094 [0,2,0,0,0,0|1,0,1]=4 17379 B13R0.336 C=CCCCOCCC#CCCCC 34a_100000037610_100000757094 [0,2,0,0,0,0|1,0,1]=4 17380 B13R0.336 C=CCCCOCCC#CCCCC 7a_100000037610_100000757094 [0,2,0,0,0,0|1,0,1]=4 17381 B13R0.336 C=CCCCOCCCC/C=C\CC 34a_100016287862_100000757094 [0,2,0,0,0,0|1,0,1]=4 17382 B13R0.336 C=CCCCOCCCC/C=C\CC 7a_100016287862_100000757094 [0,2,0,0,0,0|1,0,1]=4 17383 B13R0.336 C=CCCCOCCCCCCC#N 7a_100000758997_100009813337 [0,2,0,0,0,0|1,0,1]=4 17384 B13R0.336 C=CCCCOCCCCCCCBr 34a_100000760002_100000757094 [0,2,0,0,0,0|1,0,0]=3 17385 B13R0.336 C=CCCCOCCCCCCCBr 7a_100000760002_100000757094 [0,2,0,0,0,0|1,0,0]=3 17386 B13R0.336 C=CCCCOCCCCCCCC 34a_100000210232_100000757094 [0,2,0,0,0,0|1,0,0]=3 17387 B13R0.336 C=CCCCOCCCCCCCC 34a_100000758997_100000210759 [0,2,0,0,0,0|1,0,0]=3 17388 B13R0.336 C=CCCCOCCCCCCCC 7a_100000210232_100000757094 [0,2,0,0,0,0|1,0,0]=3 17389 B13R0.336 C=CCCCOCCCCCCCC 7a_100000758997_100000210759 [0,2,0,0,0,0|1,0,0]=3 17390 B13R0.336 C=CCCCOCCCCCCCN 34a_100011996573_100000757094 [0,2,0,0,0,0|1,0,0]=3 17391 B13R0.336 C=CCCCOCCCCCCCO 34a_100000758997_100000760002 [0,2,0,0,0,0|1,0,0]=3 17392 B13R0.336 C=CCCCOCCCCCCCO 7a_100000758997_100000760002 [0,2,0,0,0,0|1,0,0]=3 17393 B13R0.336 C=CCCCOCCCCCCOC 34a_100000758997_100011998445 [0,2,0,0,0,0|1,0,0]=3 17394 B13R0.336 C=CCCCOCCCCCCOC 34a_200012092642_100000757094 [0,2,0,0,0,0|1,0,0]=3 17395 B13R0.336 C=CCCCOCCCCCCOC 7a_100000758997_100011998445 [0,2,0,0,0,0|1,0,0]=3 17396 B13R0.336 C=CCCCOCCCCCCOC 7a_200012092642_100000757094 [0,2,0,0,0,0|1,0,0]=3 17397 B13R0.336 C=CCCCOCCCOCCCC 34a_200011215613_100000757094 [0,2,0,0,0,0|1,0,0]=3 17398 B13R0.336 C=CCCCOCCCOCCCC 7a_200011215613_100000757094 [0,2,0,0,0,0|1,0,0]=3 17399 B13R0.336 C=CCCCOCCCOCCCN 34a_100011310245_100000757094 [0,2,0,0,0,0|2,0,0]=4 17400 B13R0.336 C=CCCCOCCCOCCOC 34a_100000758997_100011216529 [0,2,0,0,0,0|2,0,0]=4 17401 B13R0.336 C=CCCCOCCCOCCOC 7a_100000758997_100011216529 [0,2,0,0,0,0|2,0,0]=4 17402 B13R0.336 C=CCCCOCCNCCCCC 34a_100000224656_100000757094 [0,2,0,0,0,0|1,0,0]=3 17403 B13R0.336 C=CCCCOCCOCCCCC 34a_100011215259_100000757094 [0,2,0,0,0,0|1,0,0]=3 17404 B13R0.336 C=CCCCOCCOCCCCC 7a_100011215259_100000757094 [0,2,0,0,0,0|1,0,0]=3 17405 B13R0.336 C=CCCCOCCOCCOCC 34a_100000210240_100000757094 [0,2,0,0,0,0|2,0,0]=4 17406 B13R0.336 C=CCCCOCCOCCOCC 34a_100000758997_100011211534 [0,2,0,0,0,0|2,0,0]=4 17407 B13R0.336 C=CCCCOCCOCCOCC 7a_100000210240_100000757094 [0,2,0,0,0,0|2,0,0]=4 17408 B13R0.336 C=CCCCOCCOCCOCC 7a_100000758997_100011211534 [0,2,0,0,0,0|2,0,0]=4 17409 B13R0.336 C=CCCCSCC#CCCCCC 62a_100009816472_100000757094 [0,2,0,0,0,0|1,0,1]=4 17410 B13R0.336 C=CCCCSCC#CCCCCC 62a_100011713584_100009816472 [0,2,0,0,0,0|1,0,1]=4 17411 B13R0.336 C=CCCCSCCCCCCC#N 62a_100009813337_100000757094 [0,2,0,0,0,0|1,0,1]=4 17412 B13R0.336 C=CCCCSCCCCCCC#N 62a_100011713584_100009813337 [0,2,0,0,0,0|1,0,1]=4 17413 B13R0.336 C=CCCCSCCCCCCCO 62a_100000760002_100000757094 [0,2,0,0,0,0|1,0,0]=3 17414 B13R0.336 C=CCCCSCCCCCCCO 62a_100011713584_100000760002 [0,2,0,0,0,0|1,0,0]=3 17415 B13R0.336 C=CCCCSCCCCCCOC 62a_100011713584_100011998445 [0,2,0,0,0,0|1,0,0]=3 17416 B13R0.336 C=CCCCSCCCCCCOC 62a_100011998445_100000757094 [0,2,0,0,0,0|1,0,0]=3 17417 B13R0.336 C=CCCCSCCCOCCOC 62a_100011216529_100000757094 [0,2,0,0,0,0|2,0,0]=4 17418 B13R0.336 C=CCCCSCCCOCCOC 62a_100011713584_100011216529 [0,2,0,0,0,0|2,0,0]=4 17419 B13R0.336 C=CCCCSCCOCCOCC 62a_100011211534_100000757094 [0,2,0,0,0,0|2,0,0]=4 17420 B13R0.336 C=CCCCSCCOCCOCC 62a_100011713584_100011211534 [0,2,0,0,0,0|2,0,0]=4 17421 B13R0.336 C=CCCNCCCC#CCCCC 2230a_100015191253_200000047210 [0,2,0,0,0,0|1,0,1]=4 17422 B13R0.336 C=CCCNCCCCC/C=C\CC 269862a_100015191253_100016288537 [0,2,0,0,0,0|1,0,1]=4 17423 B13R0.336 C=CCCNCCCCCCCCC 2230a_100000212291_100000754431 [0,2,0,0,0,0|1,0,0]=3 17424 B13R0.336 C=CCCNCCCCCCCCC 2230a_100015191253_100011214924 [0,2,0,0,0,0|1,0,0]=3 17425 B13R0.336 C=CCCNCCCCCCCCC 34a_100000212291_100000754431 [0,2,0,0,0,0|1,0,0]=3 17426 B13R0.336 C=CCCNCCCCCCCCO 2230a_100015191253_100000033203 [0,2,0,0,0,0|1,0,0]=3 17427 B13R0.336 C=CCCNCCCCCCCCO 2230a_102515433106_100000754431 [0,2,0,0,0,0|1,0,0]=3 17428 B13R0.336 C=CCCNCCCCCCCCO 34a_102515433106_100000754431 [0,2,0,0,0,0|1,0,0]=3 17429 B13R0.336 C=CCCNCCOCCOCCC 2230a_200011904461_100000754431 [0,2,0,0,0,0|2,0,0]=4 17430 B13R0.336 C=CCCNCCOCCOCCC 34a_200011904461_100000754431 [0,2,0,0,0,0|2,0,0]=4 17431 B13R0.336 C=CCCOC/C=C/CCCCCC 34a_200016276170_100000754431 [0,2,0,0,0,0|1,0,1]=4 17432 B13R0.336 C=CCCOC/C=C/CCCCCC 7a_200016276170_100000754431 [0,2,0,0,0,0|1,0,1]=4 17433 B13R0.336 C=CCCOCC#CCCCCCC 34a_200000037284_100000754431 [0,2,0,0,0,0|1,0,1]=4 17434 B13R0.336 C=CCCOCC#CCCCCCC 7a_200000037284_100000754431 [0,2,0,0,0,0|1,0,1]=4 17435 B13R0.336 C=CCCOCC/C=C\CCCCC 34a_100016277358_100000754431 [0,2,0,0,0,0|1,0,1]=4 17436 B13R0.336 C=CCCOCC/C=C\CCCCC 7a_100016277358_100000754431 [0,2,0,0,0,0|1,0,1]=4 17437 B13R0.336 C=CCCOCCC#CCCCCC 34a_200000042877_100000754431 [0,2,0,0,0,0|1,0,1]=4 17438 B13R0.336 C=CCCOCCC#CCCCCC 7a_200000042877_100000754431 [0,2,0,0,0,0|1,0,1]=4 17439 B13R0.336 C=CCCOCCCC#CCCCC 34a_100011205117_200000047210 [0,2,0,0,0,0|1,0,1]=4 17440 B13R0.336 C=CCCOCCCCC/C=C\CC 34a_100016268722_100000754431 [0,2,0,0,0,0|1,0,1]=4 17441 B13R0.336 C=CCCOCCCCC/C=C\CC 7a_100016268722_100000754431 [0,2,0,0,0,0|1,0,1]=4 17442 B13R0.336 C=CCCOCCCCCCCCBr 34a_100009813846_100000754431 [0,2,0,0,0,0|1,0,0]=3 17443 B13R0.336 C=CCCOCCCCCCCCBr 7a_100009813846_100000754431 [0,2,0,0,0,0|1,0,0]=3 17444 B13R0.336 C=CCCOCCCCCCCCC 34a_100000210712_100000754431 [0,2,0,0,0,0|1,0,0]=3 17445 B13R0.336 C=CCCOCCCCCCCCC 34a_100011205117_100011214924 [0,2,0,0,0,0|1,0,0]=3 17446 B13R0.336 C=CCCOCCCCCCCCC 7a_100000210712_100000754431 [0,2,0,0,0,0|1,0,0]=3 17447 B13R0.336 C=CCCOCCCCCCCCCl 34a_100000033203_100000754431 [0,2,0,0,0,0|1,0,0]=3 17448 B13R0.336 C=CCCOCCCCCCCCCl 7a_100000033203_100000754431 [0,2,0,0,0,0|1,0,0]=3 17449 B13R0.336 C=CCCOCCCCCCCCN 34a_102515433106_100000754431 [0,2,0,0,0,0|1,0,0]=3 17450 B13R0.336 C=CCCOCCCCCCCCO 34a_100011205117_100000033203 [0,2,0,0,0,0|1,0,0]=3 17451 B13R0.336 C=CCCOCCCCCNCCN 34a_103619048469_100000754431 [0,2,0,0,0,0|2,0,0]=4 17452 B13R0.336 C=CCCOCCCCNCCCC 34a_200011216965_100000754431 [0,2,0,0,0,0|1,0,0]=3 17453 B13R0.336 C=CCCOCCCCOCCCC 34a_200000760531_100000754431 [0,2,0,0,0,0|1,0,0]=3 17454 B13R0.336 C=CCCOCCCCOCCCC 7a_200000760531_100000754431 [0,2,0,0,0,0|1,0,0]=3 17455 B13R0.336 C=CCCOCCCOCCCOC 34a_200011215475_100000754431 [0,2,0,0,0,0|2,0,0]=4 17456 B13R0.336 C=CCCOCCCOCCCOC 7a_200011215475_100000754431 [0,2,0,0,0,0|2,0,0]=4 17457 B13R0.336 C=CCCOCCOCCCCCC 34a_100000691444_100000754431 [0,2,0,0,0,0|1,0,0]=3 17458 B13R0.336 C=CCCOCCOCCCCCC 7a_100000691444_100000754431 [0,2,0,0,0,0|1,0,0]=3 17459 B13R0.336 C=CCCSCCCC#CCCCC 62a_100000754431_200000047210 [0,2,0,0,0,0|1,0,1]=4 17460 B13R0.336 C=CCCSCCCC#CCCCC 62a_200000047210_100000754431 [0,2,0,0,0,0|1,0,1]=4 17461 B13R0.336 C=CCCSCCCCCCCCO 62a_100000033203_100000754431 [0,2,0,0,0,0|1,0,0]=3 17462 B13R0.336 C=CCCSCCCCCCCCO 62a_100000754431_100000033203 [0,2,0,0,0,0|1,0,0]=3 17463 B13R0.336 C=CCNCCCCCCC#CCC 2230a_100020586998_200000036426 [0,2,0,0,0,0|1,0,1]=4 17464 B13R0.336 C=CCNCCCCCCCCCC 2230a_100000684558_100000210623 [0,2,0,0,0,0|1,0,0]=3 17465 B13R0.336 C=CCNCCCCCCCCCC 2230a_100020586998_100000210320 [0,2,0,0,0,0|1,0,0]=3 17466 B13R0.336 C=CCNCCCCCCCCCC 34a_100000684558_100015514636 [0,2,0,0,0,0|1,0,0]=3 17467 B13R0.336 C=CCNCCCCCCCCCO 2230a_100000078944_100000210623 [0,2,0,0,0,0|1,0,0]=3 17468 B13R0.336 C=CCNCCCCCCCCCO 2230a_100020586998_100009813782 [0,2,0,0,0,0|1,0,0]=3 17469 B13R0.336 C=CCNCCCCCCCCCO 34a_100000078944_100015514636 [0,2,0,0,0,0|1,0,0]=3 17470 B13R0.336 C=CCOCC#CCCCCCCC 34a_200000061759_100015514636 [0,2,0,0,0,0|1,0,1]=4 17471 B13R0.336 C=CCOCC#CCCCCCCC 7a_200000061759_100015514636 [0,2,0,0,0,0|1,0,1]=4 17472 B13R0.336 C=CCOCCC#CCCCCCC 34a_200000033163_100015514636 [0,2,0,0,0,0|1,0,1]=4 17473 B13R0.336 C=CCOCCC#CCCCCCC 7a_200000033163_100015514636 [0,2,0,0,0,0|1,0,1]=4 17474 B13R0.336 C=CCOCCC/C=C\CCCCC 34a_100020655193_100015514636 [0,2,0,0,0,0|1,0,1]=4 17475 B13R0.336 C=CCOCCC/C=C\CCCCC 7a_100020655193_100015514636 [0,2,0,0,0,0|1,0,1]=4 17476 B13R0.336 C=CCOCCCC/C=C/CCCC 34a_200020645093_100015514636 [0,2,0,0,0,0|1,0,1]=4 17477 B13R0.336 C=CCOCCCC/C=C/CCCC 7a_200020645093_100015514636 [0,2,0,0,0,0|1,0,1]=4 17478 B13R0.336 C=CCOCCCCC#CCCCC 34a_200000066234_100015514636 [0,2,0,0,0,0|1,0,1]=4 17479 B13R0.336 C=CCOCCCCC#CCCCC 7a_200000066234_100015514636 [0,2,0,0,0,0|1,0,1]=4 17480 B13R0.336 C=CCOCCCCCCC#CCC 34a_200000210373_200000036426 [0,2,0,0,0,0|1,0,1]=4 17481 B13R0.336 C=CCOCCCCCCCCCBr 34a_100009813782_100015514636 [0,2,0,0,0,0|1,0,0]=3 17482 B13R0.336 C=CCOCCCCCCCCCBr 7a_100009813782_100015514636 [0,2,0,0,0,0|1,0,0]=3 17483 B13R0.336 C=CCOCCCCCCCCCC 34a_100000210711_100015514636 [0,2,0,0,0,0|1,0,0]=3 17484 B13R0.336 C=CCOCCCCCCCCCC 34a_200000210373_100000210320 [0,2,0,0,0,0|1,0,0]=3 17485 B13R0.336 C=CCOCCCCCCCCCC 7a_100000210711_100015514636 [0,2,0,0,0,0|1,0,0]=3 17486 B13R0.336 C=CCOCCCCCCCCCCl 34a_100009868337_100015514636 [0,2,0,0,0,0|1,0,0]=3 17487 B13R0.336 C=CCOCCCCCCCCCCl 7a_100009868337_100015514636 [0,2,0,0,0,0|1,0,0]=3 17488 B13R0.336 C=CCOCCCCCCCCCN 34a_100000078944_100015514636 [0,2,0,0,0,0|1,0,0]=3 17489 B13R0.336 C=CCOCCCCCCCCCO 34a_200000210373_100009813782 [0,2,0,0,0,0|1,0,0]=3 17490 B13R0.336 C=CCOCCOCCCCCC=O 7a_100000037705_100000139337 [0,2,0,0,0,0|0,0,2]=4 17491 B13R0.336 C=CCOCCOCCCCCCC 34a_100000037705_100000210614 [0,2,0,0,0,0|1,0,0]=3 17492 B13R0.336 C=CCOCCOCCCCCCC 7a_100000037705_100000210614 [0,2,0,0,0,0|1,0,0]=3 17493 B13R0.336 C=CCOCCOCCCCCCF 34a_100000037705_100015922095 [0,2,0,0,0,0|2,0,0]=4 17494 B13R0.336 C=CCOCCOCCCCCCF 7a_100000037705_100015922095 [0,2,0,0,0,0|2,0,0]=4 17495 B13R0.336 C=CCOCCOCCCCCCO 34a_100000037705_100000766143 [0,2,0,0,0,0|2,0,0]=4 17496 B13R0.336 C=CCOCCOCCCCCCO 7a_100000037705_100000766143 [0,2,0,0,0,0|2,0,0]=4 17497 B13R0.336 C=CCOCCOCCOCCCC 34a_100000037705_100000743108 [0,2,0,0,0,0|2,0,0]=4 17498 B13R0.336 C=CCOCCOCCOCCCC 34a_100000065479_100000210210 [0,2,0,0,0,0|2,0,0]=4 17499 B13R0.336 C=CCOCCOCCOCCCC 34a_100011215186_100015514636 [0,2,0,0,0,0|2,0,0]=4 17500 B13R0.336 C=CCOCCOCCOCCCC 7a_100000037705_100000743108 [0,2,0,0,0,0|2,0,0]=4 17501 B13R0.336 C=CCOCCOCCOCCCC 7a_100000065479_100000210211 [0,2,0,0,0,0|2,0,0]=4 17502 B13R0.336 C=CCOCCOCCOCCCC 7a_100011215186_100015514636 [0,2,0,0,0,0|2,0,0]=4 17503 B13R0.336 C=CCSCCCCCCC#CCC 62a_100000210623_200000036426 [0,2,0,0,0,0|1,0,1]=4 17504 B13R0.336 C=CCSCCCCCCC#CCC 62a_200000036426_100000210623 [0,2,0,0,0,0|1,0,1]=4 17505 B13R0.336 C=CCSCCCCCCCCCO 62a_100000210623_100009813782 [0,2,0,0,0,0|1,0,0]=3 17506 B13R0.336 C=CCSCCCCCCCCCO 62a_100009813782_100000210623 [0,2,0,0,0,0|1,0,0]=3 17507 B13R0.336 C=COCCCCOCCCCC=O 7a_100000031558_100000139335 [0,2,0,0,0,0|0,0,2]=4 17508 B13R0.336 C=COCCCCOCCCCCC 34a_100000031558_100000210314 [0,2,0,0,0,0|1,0,0]=3 17509 B13R0.336 C=COCCCCOCCCCCC 7a_100000031558_100000210314 [0,2,0,0,0,0|1,0,0]=3 17510 B13R0.336 C=COCCCCOCCCCCF 34a_100000031558_100000729378 [0,2,0,0,0,0|2,0,0]=4 17511 B13R0.336 C=COCCCCOCCCCCF 7a_100000031558_100000729378 [0,2,0,0,0,0|2,0,0]=4 17512 B13R0.336 C=COCCCCOCCCCCO 34a_100000031558_100000746330 [0,2,0,0,0,0|2,0,0]=4 17513 B13R0.336 C=COCCCCOCCCCCO 7a_100000031558_100000746330 [0,2,0,0,0,0|2,0,0]=4 17514 B13R0.336 C=COCCCCOCCCCOC 34a_100000031558_100000755781 [0,2,0,0,0,0|2,0,0]=4 17515 B13R0.336 C=COCCCCOCCCCOC 7a_100000031558_100000730899 [0,2,0,0,0,0|2,0,0]=4 17516 B13R0.336 C=COCCCCOCCCOCC 34a_100000031558_100012232248 [0,2,0,0,0,0|2,0,0]=4 17517 B13R0.336 C=COCCCCOCCCOCC 7a_100000031558_100012232248 [0,2,0,0,0,0|2,0,0]=4 17518 B13R0.336 C=COCCCCOCCOCCC 34a_100000031558_100011215938 [0,2,0,0,0,0|2,0,0]=4 17519 B13R0.336 C=COCCCCOCCOCCC 7a_100000031558_100011215938 [0,2,0,0,0,0|2,0,0]=4 17520 B13R0.336 C=COCCCCOCOCCCC 34a_100000031558_100011995733 [0,2,0,0,0,0|2,0,0]=4 17521 B13R0.336 C=COCCCNCCCCCC=O 2230a_100000210767_100000139337 [0,2,0,0,0,0|0,0,2]=4 17522 B13R0.336 C=COCCCNCCCCCCC 2230a_100000210767_100000210681 [0,2,0,0,0,0|1,0,0]=3 17523 B13R0.336 C=COCCCNCCCCCCC 34a_100000210767_100000210614 [0,2,0,0,0,0|1,0,0]=3 17524 B13R0.336 C=COCCCNCCCCCCF 2230a_100000210767_100015922095 [0,2,0,0,0,0|2,0,0]=4 17525 B13R0.336 C=COCCCNCCCCCCF 34a_100000210767_100015922095 [0,2,0,0,0,0|2,0,0]=4 17526 B13R0.336 C=COCCCNCCCCCCO 2230a_100000210767_100000766143 [0,2,0,0,0,0|2,0,0]=4 17527 B13R0.336 C=COCCCNCCCCCCO 34a_100000210767_100000766143 [0,2,0,0,0,0|2,0,0]=4 17528 B13R0.336 C=COCCCNCCOCCCC 2230a_100000210767_100000743108 [0,2,0,0,0,0|2,0,0]=4 17529 B13R0.336 C=COCCCNCCOCCCC 34a_100000210767_100000743108 [0,2,0,0,0,0|2,0,0]=4 17530 B13R0.336 C=COCCNCCCCCCCC 2230a_100000229939_100000039644 [0,2,0,0,0,0|1,0,0]=3 17531 B13R0.336 C=COCCNCCCCCCCC 34a_100000229939_100000039644 [0,2,0,0,0,0|1,0,0]=3 17532 B13R0.336 C=COCCNCCCCCCCO 2230a_100011996573_100000039644 [0,2,0,0,0,0|2,0,0]=4 17533 B13R0.336 C=COCCNCCCCCCCO 34a_100011996573_100000039644 [0,2,0,0,0,0|2,0,0]=4 17534 B13R0.336 C=COCCNCCCOCCCC 2230a_200000211371_100000039644 [0,2,0,0,0,0|2,0,0]=4 17535 B13R0.336 C=COCCNCCCOCCCC 34a_200000211371_100000039644 [0,2,0,0,0,0|2,0,0]=4 17536 B13R0.336 C=COCCOCCCCCCCBr 34a_100000760002_100000039644 [0,2,0,0,0,0|2,0,0]=4 17537 B13R0.336 C=COCCOCCCCCCCBr 7a_100000760002_100000039644 [0,2,0,0,0,0|2,0,0]=4 17538 B13R0.336 C=COCCOCCCCCCCC 34a_100000033082_100000210759 [0,2,0,0,0,0|1,0,0]=3 17539 B13R0.336 C=COCCOCCCCCCCC 34a_100000210232_100000039644 [0,2,0,0,0,0|1,0,0]=3 17540 B13R0.336 C=COCCOCCCCCCCC 7a_100000210232_100000039644 [0,2,0,0,0,0|1,0,0]=3 17541 B13R0.336 C=COCCOCCCCCCCN 34a_100011996573_100000039644 [0,2,0,0,0,0|2,0,0]=4 17542 B13R0.336 C=COCCOCCCCCCCO 34a_100000033082_100000760002 [0,2,0,0,0,0|2,0,0]=4 17543 B13R0.336 C=COCCOCCCCCCOC 34a_100000033082_100011998445 [0,2,0,0,0,0|2,0,0]=4 17544 B13R0.336 C=COCCOCCCCCCOC 34a_200012092642_100000039644 [0,2,0,0,0,0|2,0,0]=4 17545 B13R0.336 C=COCCOCCCCCCOC 7a_200012092642_100000039644 [0,2,0,0,0,0|2,0,0]=4 17546 B13R0.336 C=COCCOCCCOCCCC 34a_200011215613_100000039644 [0,2,0,0,0,0|2,0,0]=4 17547 B13R0.336 C=COCCOCCCOCCCC 7a_200011215613_100000039644 [0,2,0,0,0,0|2,0,0]=4 17548 B13R0.336 C=COCCOCCNCCCCC 34a_100000224656_100000039644 [0,2,0,0,0,0|2,0,0]=4 17549 B13R0.336 C=COCCOCCOCCCCC 34a_100000039918_100000718602 [0,2,0,0,0,0|2,0,0]=4 17550 B13R0.336 C=COCCOCCOCCCCC 34a_100011215259_100000039644 [0,2,0,0,0,0|2,0,0]=4 17551 B13R0.336 C=COCCOCCOCCCCC 7a_100000039918_100000210326 [0,2,0,0,0,0|2,0,0]=4 17552 B13R0.336 C=COCCOCCOCCCCC 7a_100011215259_100000039644 [0,2,0,0,0,0|2,0,0]=4 17553 B13R0.336 C=COCCSCCCCCCCC 62a_100000039644_100000210317 [0,2,0,0,0,0|1,0,0]=3 17554 B13R0.336 C=COCCSCCCCCCCC 62a_100000210759_100000039644 [0,2,0,0,0,0|1,0,0]=3 17555 B13R0.336 C=COCCSCCCCCCCO 62a_100000039644_100000760002 [0,2,0,0,0,0|2,0,0]=4 17556 B13R0.336 C=COCCSCCCCCCCO 62a_100000760002_100000039644 [0,2,0,0,0,0|2,0,0]=4 17557 B13R0.336 C=COCCSCCCCCCOC 62a_100000039644_100011998445 [0,2,0,0,0,0|2,0,0]=4 17558 B13R0.336 C=COCCSCCCCCCOC 62a_100011998445_100000039644 [0,2,0,0,0,0|2,0,0]=4 17559 B13R0.336 CC#CCCOCCCCCCCC 34a_100000750427_100000210759 [0,2,0,0,0,0|1,0,1]=4 17560 B13R0.336 CC#CCNCCCCCCCCC 2230a_100000212291_100000748600 [0,2,0,0,0,0|1,0,1]=4 17561 B13R0.336 CC#CCNCCCCCCCCC 2230a_100000685387_100011214924 [0,2,0,0,0,0|1,0,1]=4 17562 B13R0.336 CC#CCNCCCCCCCCC 34a_100000212291_100000748600 [0,2,0,0,0,0|1,0,1]=4 17563 B13R0.336 CC#CCNCCCCCCCCC 34a_100000685387_100011214924 [0,2,0,0,0,0|1,0,1]=4 17564 B13R0.336 CC#CCOCCCCCCCCC 34a_100000210712_100000748600 [0,2,0,0,0,0|1,0,1]=4 17565 B13R0.336 CC#CCOCCCCCCCCC 34a_100000761923_100011214924 [0,2,0,0,0,0|1,0,1]=4 17566 B13R0.336 CC#CCOCCCCCCCCC 7a_100000210712_100000748600 [0,2,0,0,0,0|1,0,1]=4 17567 B13R0.336 CC#CCSCCCCCCCCC 62a_100000748600_100000210670 [0,2,0,0,0,0|1,0,1]=4 17568 B13R0.336 CC/C=C/CCCOCCCCC=O 7a_100016287902_100000139335 [0,2,0,0,0,0|0,0,1]=3 17569 B13R0.336 CC/C=C/CCCOCCCCCC 34a_100016287902_100000210314 [0,2,0,0,0,0|1,0,1]=4 17570 B13R0.336 CC/C=C/CCCOCCCCCC 7a_100016287902_100000210314 [0,2,0,0,0,0|1,0,1]=4 17571 B13R0.336 CC/C=C\CCCCCCCNCC 269862a_100015525214_200025770492 [0,2,0,0,0,0|1,0,1]=4 17572 B13R0.336 CC/C=C\CCCCCNCCCC 269862a_100000102301_100016288537 [0,2,0,0,0,0|1,0,1]=4 17573 B13R0.336 CC/C=C\CCCCCOCCCC 34a_100016268722_100000210210 [0,2,0,0,0,0|1,0,1]=4 17574 B13R0.336 CC/C=C\CCCCCOCCCC 7a_100016268722_100000210211 [0,2,0,0,0,0|1,0,1]=4 17575 B13R0.336 CC/C=C\CCCCOCCCC=O 7a_100016287862_200011292268 [0,2,0,0,0,0|0,0,1]=3 17576 B13R0.336 CC/C=C\CCCCOCCCCC 34a_100016287862_100000718602 [0,2,0,0,0,0|1,0,1]=4 17577 B13R0.336 CC/C=C\CCCCOCCCCC 7a_100016287862_100000210326 [0,2,0,0,0,0|1,0,1]=4 17578 B13R0.336 CC/C=C\CCNCCCCCCC 2230a_100000229938_100015370543 [0,2,0,0,0,0|1,0,1]=4 17579 B13R0.336 CC/C=C\CCOCCCCCC=O 7a_100016288707_100000139337 [0,2,0,0,0,0|0,0,1]=3 17580 B13R0.336 CC/C=C\CCOCCCCCCC 34a_100000210272_100015370543 [0,2,0,0,0,0|1,0,1]=4 17581 B13R0.336 CC/C=C\CCOCCCCCCC 34a_100016288707_100000210614 [0,2,0,0,0,0|1,0,1]=4 17582 B13R0.336 CC/C=C\CCOCCCCCCC 7a_100000210272_100015370543 [0,2,0,0,0,0|1,0,1]=4 17583 B13R0.336 CC/C=C\CCOCCCCCCC 7a_100016288707_100000210614 [0,2,0,0,0,0|1,0,1]=4 17584 B13R0.336 CC/C=C\CCSCCCCCC=O 62a_100000139337_100015370543 [0,2,0,0,0,0|0,0,1]=3 17585 B13R0.336 CC/C=C\CCSCCCCCC=O 62a_100015370543_100000139337 [0,2,0,0,0,0|0,0,1]=3 17586 B13R0.336 CC/C=C\CNCCCCCCCC 2230a_100000229939_100103147603 [0,2,0,0,0,0|1,0,1]=4 17587 B13R0.336 CC/C=C\CNCCCCCCCC 34a_100000229939_100103147603 [0,2,0,0,0,0|1,0,1]=4 17588 B13R0.336 CC/C=C\COCCCCCCCC 34a_100000210232_100103147603 [0,2,0,0,0,0|1,0,1]=4 17589 B13R0.336 CC/C=C\COCCCCCCCC 34a_100016268518_100000210759 [0,2,0,0,0,0|1,0,1]=4 17590 B13R0.336 CC/C=C\COCCCCCCCC 7a_100000210232_100103147603 [0,2,0,0,0,0|1,0,1]=4 17591 B13R0.336 CC=C=CCCOCCCCCCC 34a_100011020354_100000210614 [0,2,0,0,0,0|1,0,1]=4 17592 B13R0.336 CC=CCCCOCCCCCCC 34a_100020645299_100000210614 [0,2,0,0,0,0|1,0,0]=3 17593 B13R0.336 CC=CCCCOCCCCCCF 34a_100020645299_100015922095 [0,2,0,0,0,0|1,0,1]=4 17594 B13R0.336 CC=CCCCOCCCCCCO 34a_100020645299_100000766143 [0,2,0,0,0,0|1,0,1]=4 17595 B13R0.336 CC=CCCCOCCOCCCC 34a_100020645299_100000743108 [0,2,0,0,0,0|1,0,1]=4 17596 B13R0.336 CC=CCNCCCCCCCCC 2230a_100000212291_100000070051 [0,2,0,0,0,0|1,0,0]=3 17597 B13R0.336 CC=CCNCCCCCCCCC 34a_100000212291_100000070051 [0,2,0,0,0,0|1,0,0]=3 17598 B13R0.336 CC=CCNCCCCCCCCO 2230a_102515433106_100000070051 [0,2,0,0,0,0|1,0,1]=4 17599 B13R0.336 CC=CCNCCCCCCCCO 34a_102515433106_100000070051 [0,2,0,0,0,0|1,0,1]=4 17600 B13R0.336 CC=CCOCCCCCCCCBr 34a_100009813846_100000070051 [0,2,0,0,0,0|1,0,1]=4 17601 B13R0.336 CC=CCOCCCCCCCCBr 7a_100009813846_100000070051 [0,2,0,0,0,0|1,0,1]=4 17602 B13R0.336 CC=CCOCCCCCCCCC 34a_100000210712_100000070051 [0,2,0,0,0,0|1,0,0]=3 17603 B13R0.336 CC=CCOCCCCCCCCC 7a_100000210712_100000070051 [0,2,0,0,0,0|1,0,0]=3 17604 B13R0.336 CC=CCOCCCCCCCCCl 34a_100000033203_100000070051 [0,2,0,0,0,0|1,0,1]=4 17605 B13R0.336 CC=CCOCCCCCCCCCl 7a_100000033203_100000070051 [0,2,0,0,0,0|1,0,1]=4 17606 B13R0.336 CC=CCOCCCCCCCCN 34a_102515433106_100000070051 [0,2,0,0,0,0|1,0,1]=4 17607 B13R0.336 CC=CCOCCCCNCCCC 34a_200011216965_100000070051 [0,2,0,0,0,0|1,0,1]=4 17608 B13R0.336 CC=CCOCCCCOCCCC 34a_200000760531_100000070051 [0,2,0,0,0,0|1,0,1]=4 17609 B13R0.336 CC=CCOCCCCOCCCC 7a_200000760531_100000070051 [0,2,0,0,0,0|1,0,1]=4 17610 B13R0.336 CC=CCOCCOCCCCCC 34a_100000691444_100000070051 [0,2,0,0,0,0|1,0,1]=4 17611 B13R0.336 CC=CCOCCOCCCCCC 7a_100000691444_100000070051 [0,2,0,0,0,0|1,0,1]=4 17612 B13R0.336 CC=CCSCCCCCCCCO 62a_100000033203_100000070051 [0,2,0,0,0,0|1,0,1]=4 17613 B13R0.336 CC=CCSCCCCCCCCO 62a_100000070051_100000033203 [0,2,0,0,0,0|1,0,1]=4 17614 B13R0.336 CCC#CCCCCCCCCOC 34a_200000031908_200000210301 [0,2,0,0,0,0|2,0,0]=4 17615 B13R0.336 CCC#CCCCCCCCCOC 7a_200000031908_200000210301 [0,2,0,0,0,0|2,0,0]=4 17616 B13R0.336 CCC#CCCCCCCCCO[13CH3] 34a_200000031908_200025704644 [0,2,0,0,0,0|2,0,0]=4 17617 B13R0.336 CCC#CCCCCCCCCO[13CH3] 7a_200000031908_200025704644 [0,2,0,0,0,0|2,0,0]=4 17618 B13R0.336 CCC#CCCCCCCSCC=O 62a_200000036426_200015260668 [0,2,0,0,0,0|0,0,1]=3 17619 B13R0.336 CCC#CCCCCCCSCC=O 62a_200015260668_200000036426 [0,2,0,0,0,0|0,0,1]=3 17620 B13R0.336 CCC#CCCOCCCCCC=O 7a_100000036655_100000139337 [0,2,0,0,0,0|0,0,1]=3 17621 B13R0.336 CCC/C=C/COCCCCCC=O 7a_100016278788_100000139337 [0,2,0,0,0,0|0,0,1]=3 17622 B13R0.336 CCCC#CCCOCCCCC=O 7a_100000042726_100000139335 [0,2,0,0,0,0|0,0,1]=3 17623 B13R0.336 CCCC#CCOCCCCCC=O 7a_100000034806_100000139337 [0,2,0,0,0,0|0,0,1]=3 17624 B13R0.336 CCCC/C=C/CCCCOCC=O 34a_200020645093_200009817547 [0,2,0,0,0,0|0,0,1]=3 17625 B13R0.336 CCCC/C=C/CCCCOCC=O 7a_200020645093_200015260668 [0,2,0,0,0,0|0,0,1]=3 17626 B13R0.336 CCCC/C=C/COCCCCC=O 7a_200016272032_100000139335 [0,2,0,0,0,0|0,0,1]=3 17627 B13R0.336 CCCC/C=C\CCOCCCC=O 7a_200016286491_200011292268 [0,2,0,0,0,0|0,0,1]=3 17628 B13R0.336 CCCCC#CCCCCCCNC 2230a_106832991635_200000043322 [0,2,0,0,0,0|2,0,0]=4 17629 B13R0.336 CCCCC#CCCCCCCNC 34a_100102657272_200000043322 [0,2,0,0,0,0|2,0,0]=4 17630 B13R0.336 CCCCC#CCCCCCCNC 7a_106832991635_200000043322 [0,2,0,0,0,0|2,0,0]=4 17631 B13R0.336 CCCCC#CCCCCCCOC 34a_100138415774_200000043322 [0,2,0,0,0,0|2,0,0]=4 17632 B13R0.336 CCCCC#CCCCCCCSC 62a_200000043322_200000210301 [0,2,0,0,0,0|2,0,0]=4 17633 B13R0.336 CCCCC#CCCCCCCSC 62a_200000210301_200000043322 [0,2,0,0,0,0|2,0,0]=4 17634 B13R0.336 CCCCC#CCCCCCCS[13CH3] 62a_200000043322_200025704644 [0,2,0,0,0,0|2,0,0]=4 17635 B13R0.336 CCCCC#CCCCCCCS[13CH3] 62a_200025704644_200000043322 [0,2,0,0,0,0|2,0,0]=4 17636 B13R0.336 CCCCC#CCCCCOCC=O 34a_200000066234_200009817547 [0,2,0,0,0,0|0,0,1]=3 17637 B13R0.336 CCCCC#CCCCCOCC=O 7a_200000066234_200015260668 [0,2,0,0,0,0|0,0,1]=3 17638 B13R0.336 CCCCC#CCCOCCCC=O 7a_100000037610_200011292268 [0,2,0,0,0,0|0,0,1]=3 17639 B13R0.336 CCCCC#CCOCCCCC=O 7a_200000034558_100000139335 [0,2,0,0,0,0|0,0,1]=3 17640 B13R0.336 CCCCC/C=C/COCCCC=O 7a_100016258190_200011292268 [0,2,0,0,0,0|0,0,1]=3 17641 B13R0.336 CCCCC/C=C\CCCOCC=O 34a_100020655193_200009817547 [0,2,0,0,0,0|0,0,1]=3 17642 B13R0.336 CCCCC/C=C\CCCOCC=O 7a_100020655193_200015260668 [0,2,0,0,0,0|0,0,1]=3 17643 B13R0.336 CCCCCC#CCOCCCC=O 7a_200000033628_200011292268 [0,2,0,0,0,0|0,0,1]=3 17644 B13R0.336 CCCCCC#CCSCCCC=O 62a_100009816472_200011292268 [0,2,0,0,0,0|0,0,1]=3 17645 B13R0.336 CCCCCC#CCSCCCC=O 62a_200011292268_100009816472 [0,2,0,0,0,0|0,0,1]=3 17646 B13R0.336 CCCCCCC#CCCOCC=O 34a_200000033163_200009817547 [0,2,0,0,0,0|0,0,1]=3 17647 B13R0.336 CCCCCCC#CCCOCC=O 7a_200000033163_200015260668 [0,2,0,0,0,0|0,0,1]=3 17648 B13R0.336 CCCCCCCC#CCOCC=O 34a_200000061759_200009817547 [0,2,0,0,0,0|0,0,1]=3 17649 B13R0.336 CCCCCCCC#CCOCC=O 7a_200000061759_200015260668 [0,2,0,0,0,0|0,0,1]=3 17650 B13R0.336 CCCCCCCCC/C=C/COC 34a_100015232335_200000210301 [0,2,0,0,0,0|0,0,2]=4 17651 B13R0.336 CCCCCCCCC/C=C/COC 7a_100015232335_200000210301 [0,2,0,0,0,0|0,0,2]=4 17652 B13R0.336 CCCCCCCCC/C=C/CO[13CH3] 34a_100015232335_200025704644 [0,2,0,0,0,0|0,0,2]=4 17653 B13R0.336 CCCCCCCCC/C=C/CO[13CH3] 7a_100015232335_200025704644 [0,2,0,0,0,0|0,0,2]=4 17654 B13R0.336 CCCCCCCCCCCCNC 2230a_100000210451_200000210301 [0,2,0,0,0,0|1,0,1]=4 17655 B13R0.336 CCCCCCCCCCCCNC 2230a_106832991635_100011215052 [0,2,0,0,0,0|1,0,1]=4 17656 B13R0.336 CCCCCCCCCCCCNC 270004a_106832991635_100011218549 [0,2,0,0,0,0|1,0,1]=4 17657 B13R0.336 CCCCCCCCCCCCNC 34a_100000210451_200000210301 [0,2,0,0,0,0|1,0,1]=4 17658 B13R0.336 CCCCCCCCCCCCNC 34a_100102657272_100000759014 [0,2,0,0,0,0|1,0,1]=4 17659 B13R0.336 CCCCCCCCCCCCNC 7a_106832991635_100000759014 [0,2,0,0,0,0|1,0,1]=4 17660 B13R0.336 CCCCCCCCCCCCN[13CH3] 2230a_100000210451_200025704644 [0,2,0,0,0,0|1,0,1]=4 17661 B13R0.336 CCCCCCCCCCCCN[13CH3] 34a_100000210451_200025704644 [0,2,0,0,0,0|1,0,1]=4 17662 B13R0.336 CCCCCCCCCCCCOC 34a_100000210810_200000210301 [0,2,0,0,0,0|0,0,2]=4 17663 B13R0.336 CCCCCCCCCCCCOC 34a_100138415774_100000759014 [0,2,0,0,0,0|0,0,2]=4 17664 B13R0.336 CCCCCCCCCCCCOC 7a_100000210810_200000210301 [0,2,0,0,0,0|0,0,2]=4 17665 B13R0.336 CCCCCCCCCCCCO[13CH3] 34a_100000210810_200025704644 [0,2,0,0,0,0|0,0,2]=4 17666 B13R0.336 CCCCCCCCCCCCO[13CH3] 7a_100000210810_200025704644 [0,2,0,0,0,0|0,0,2]=4 17667 B13R0.336 CCCCCCCCCCCNCC 2230a_100015525214_100011215454 [0,2,0,0,0,0|1,0,1]=4 17668 B13R0.336 CCCCCCCCCCCNCC 2230a_200011215754_100000210202 [0,2,0,0,0,0|1,0,1]=4 17669 B13R0.336 CCCCCCCCCCCNCC 34a_200011215754_100000210202 [0,2,0,0,0,0|1,0,1]=4 17670 B13R0.336 CCCCCCCCCCCNCF 34a_200011215754_100015361967 [0,2,0,0,0,0|1,0,1]=4 17671 B13R0.336 CCCCCCCCCCCOCC 34a_100000210809_100000210202 [0,2,0,0,0,0|0,0,2]=4 17672 B13R0.336 CCCCCCCCCCCOCC 34a_100121572206_100011215454 [0,2,0,0,0,0|0,0,2]=4 17673 B13R0.336 CCCCCCCCCCCOCC 7a_100000210809_100000210202 [0,2,0,0,0,0|0,0,2]=4 17674 B13R0.336 CCCCCCCCCCCOCF 34a_100000210809_100015361967 [0,2,0,0,0,0|0,0,2]=4 17675 B13R0.336 CCCCCCCCCCCOCF 7a_100000210809_100015361967 [0,2,0,0,0,0|0,0,2]=4 17676 B13R0.336 CCCCCCCCCCNCC#N 2230a_100000684558_100011215382 [0,2,0,0,0,0|1,0,1]=4 17677 B13R0.336 CCCCCCCCCCNCC=O 2230a_100000684558_200015260668 [0,2,0,0,0,0|0,0,0]=2 17678 B13R0.336 CCCCCCCCCCNCC=O 34a_100000684558_200009817547 [0,2,0,0,0,0|0,0,0]=2 17679 B13R0.336 CCCCCCCCCCNCCC 2230a_100000684558_100000210303 [0,2,0,0,0,0|1,0,1]=4 17680 B13R0.336 CCCCCCCCCCNCCC 34a_100000684558_100000210303 [0,2,0,0,0,0|1,0,1]=4 17681 B13R0.336 CCCCCCCCCCNCCF 2230a_100000684558_100011217306 [0,2,0,0,0,0|1,0,1]=4 17682 B13R0.336 CCCCCCCCCCNCCF 34a_100000684558_100011217306 [0,2,0,0,0,0|1,0,1]=4 17683 B13R0.336 CCCCCCCCCCNCCF 34a_100000724931_100000210320 [0,2,0,0,0,0|1,0,1]=4 17684 B13R0.336 CCCCCCCCCCNCCO 2230a_100000684558_100000211926 [0,2,0,0,0,0|0,0,2]=4 17685 B13R0.336 CCCCCCCCCCNCCO 2230a_100016997473_100000210320 [0,2,0,0,0,0|0,0,2]=4 17686 B13R0.336 CCCCCCCCCCNCCO 34a_100000684558_100000211926 [0,2,0,0,0,0|0,0,2]=4 17687 B13R0.336 CCCCCCCCCCNCCO 34a_100016990907_100000210320 [0,2,0,0,0,0|0,0,2]=4 17688 B13R0.336 CCCCCCCCCCNCOC 2230a_100000684558_100000766300 [0,2,0,0,0,0|0,0,2]=4 17689 B13R0.336 CCCCCCCCCCNCSC 2230a_100000684558_100011218213 [0,2,0,0,0,0|0,1,1]=4 17690 B13R0.336 CCCCCCCCCCNCSC 34a_100000684558_100011218213 [0,2,0,0,0,0|0,1,1]=4 17691 B13R0.336 CCCCCCCCCCOCC#N 7a_100000210711_100011215382 [0,2,0,0,0,0|1,0,1]=4 17692 B13R0.336 CCCCCCCCCCOCC=O 34a_100000210711_200009817547 [0,2,0,0,0,0|0,0,0]=2 17693 B13R0.336 CCCCCCCCCCOCC=O 7a_100000210711_200015260668 [0,2,0,0,0,0|0,0,0]=2 17694 B13R0.336 CCCCCCCCCCOCCBr 34a_100000211926_100000210320 [0,2,0,0,0,0|1,0,1]=4 17695 B13R0.336 CCCCCCCCCCOCCC 34a_100000210258_100000210320 [0,2,0,0,0,0|1,0,1]=4 17696 B13R0.336 CCCCCCCCCCOCCC 34a_100000210711_100000210303 [0,2,0,0,0,0|1,0,1]=4 17697 B13R0.336 CCCCCCCCCCOCCC 7a_100000210711_100000210303 [0,2,0,0,0,0|1,0,1]=4 17698 B13R0.336 CCCCCCCCCCOCCF 34a_100000210711_100011217306 [0,2,0,0,0,0|1,0,1]=4 17699 B13R0.336 CCCCCCCCCCOCCF 7a_100000210711_100011217306 [0,2,0,0,0,0|1,0,1]=4 17700 B13R0.336 CCCCCCCCCCOCCN 34a_100000210304_100000210320 [0,2,0,0,0,0|1,0,1]=4 17701 B13R0.336 CCCCCCCCCCOCCO 34a_100000210711_100000211926 [0,2,0,0,0,0|0,0,2]=4 17702 B13R0.336 CCCCCCCCCCOCCO 7a_100000210711_100000211926 [0,2,0,0,0,0|0,0,2]=4 17703 B13R0.336 CCCCCCCCCCOCSC 34a_100000210711_100011218213 [0,2,0,0,0,0|0,1,1]=4 17704 B13R0.336 CCCCCCCCCCSCC#N 62a_100011215382_100000210320 [0,2,0,0,0,0|1,0,1]=4 17705 B13R0.336 CCCCCCCCCCSCC=O 62a_200015260668_100000210320 [0,2,0,0,0,0|0,0,0]=2 17706 B13R0.336 CCCCCCCCCCSCCF 62a_100011217306_100000210320 [0,2,0,0,0,0|1,0,1]=4 17707 B13R0.336 CCCCCCCCCCSCCO 62a_100000211926_100000210320 [0,2,0,0,0,0|0,0,2]=4 17708 B13R0.336 CCCCCCCCCCSCOC 62a_100000766300_100000210320 [0,2,0,0,0,0|0,0,2]=4 17709 B13R0.336 CCCCCCCCCNCCC#N 2230a_100000212291_100011215226 [0,2,0,0,0,0|1,0,1]=4 17710 B13R0.336 CCCCCCCCCNCCCC 2230a_100000102301_100011214924 [0,2,0,0,0,0|1,0,1]=4 17711 B13R0.336 CCCCCCCCCNCCCC 2230a_100000212291_100000210211 [0,2,0,0,0,0|1,0,1]=4 17712 B13R0.336 CCCCCCCCCNCCCC 34a_100000212291_100000210210 [0,2,0,0,0,0|1,0,1]=4 17713 B13R0.336 CCCCCCCCCNCCCC 7a_106832991798_100000210328 [0,2,0,0,0,0|1,0,1]=4 17714 B13R0.336 CCCCCCCCCNCCCF 2230a_100000212291_100011934791 [0,2,0,0,0,0|1,0,1]=4 17715 B13R0.336 CCCCCCCCCNCCCF 2230a_100015189416_100011214924 [0,2,0,0,0,0|1,0,1]=4 17716 B13R0.336 CCCCCCCCCNCCCF 34a_100000212291_100011934791 [0,2,0,0,0,0|1,0,1]=4 17717 B13R0.336 CCCCCCCCCNCCCF 34a_100015189416_100011214924 [0,2,0,0,0,0|1,0,1]=4 17718 B13R0.336 CCCCCCCCCNCCCO 2230a_100000212291_100000230001 [0,2,0,0,0,0|0,0,2]=4 17719 B13R0.336 CCCCCCCCCNCCCO 34a_100000212291_100000230001 [0,2,0,0,0,0|0,0,2]=4 17720 B13R0.336 CCCCCCCCCNCCOC 2230a_100000209980_100011214924 [0,2,0,0,0,0|0,0,2]=4 17721 B13R0.336 CCCCCCCCCNCCOC 2230a_100000212291_100011201679 [0,2,0,0,0,0|0,0,2]=4 17722 B13R0.336 CCCCCCCCCNCCOC 34a_100000212291_100011201679 [0,2,0,0,0,0|0,0,2]=4 17723 B13R0.336 CCCCCCCCCNCCSC 2230a_100000212291_100000751147 [0,2,0,0,0,0|0,1,1]=4 17724 B13R0.336 CCCCCCCCCNCCSC 2230a_100020590264_100011214924 [0,2,0,0,0,0|0,1,1]=4 17725 B13R0.336 CCCCCCCCCNCCSC 34a_100000212291_100000212216 [0,2,0,0,0,0|0,1,1]=4 17726 B13R0.336 CCCCCCCCCOCCC#N 7a_100000210712_100000184422 [0,2,0,0,0,0|1,0,1]=4 17727 B13R0.336 CCCCCCCCCOCCCBr 34a_100011217188_100011214924 [0,2,0,0,0,0|1,0,1]=4 17728 B13R0.336 CCCCCCCCCOCCCC 34a_100000210227_100011214924 [0,2,0,0,0,0|1,0,1]=4 17729 B13R0.336 CCCCCCCCCOCCCC 34a_100000210712_100000210210 [0,2,0,0,0,0|1,0,1]=4 17730 B13R0.336 CCCCCCCCCOCCCC 7a_100000210227_100000210328 [0,2,0,0,0,0|1,0,1]=4 17731 B13R0.336 CCCCCCCCCOCCCC 7a_100000210712_100000210211 [0,2,0,0,0,0|1,0,1]=4 17732 B13R0.336 CCCCCCCCCOCCCCl 34a_100000230001_100011214924 [0,2,0,0,0,0|1,0,1]=4 17733 B13R0.336 CCCCCCCCCOCCCF 34a_100000210712_100011934791 [0,2,0,0,0,0|1,0,1]=4 17734 B13R0.336 CCCCCCCCCOCCCF 34a_100000759539_100011214924 [0,2,0,0,0,0|1,0,1]=4 17735 B13R0.336 CCCCCCCCCOCCCF 7a_100000210712_100011934791 [0,2,0,0,0,0|1,0,1]=4 17736 B13R0.336 CCCCCCCCCOCCCN 34a_100000182051_100011214924 [0,2,0,0,0,0|1,0,1]=4 17737 B13R0.336 CCCCCCCCCOCCCO 34a_100000210712_100000230001 [0,2,0,0,0,0|0,0,2]=4 17738 B13R0.336 CCCCCCCCCOCCCO 7a_100000210712_100011215043 [0,2,0,0,0,0|0,0,2]=4 17739 B13R0.336 CCCCCCCCCOCCOC 34a_100000210237_100011214924 [0,2,0,0,0,0|0,0,2]=4 17740 B13R0.336 CCCCCCCCCOCCOC 34a_100000210712_100011201679 [0,2,0,0,0,0|0,0,2]=4 17741 B13R0.336 CCCCCCCCCOCCOC 7a_100000210712_100000233755 [0,2,0,0,0,0|0,0,2]=4 17742 B13R0.336 CCCCCCCCCOCCON 34a_100000700252_100011214924 [0,2,0,0,0,0|0,0,2]=4 17743 B13R0.336 CCCCCCCCCOCCSC 34a_100000210712_100000212216 [0,2,0,0,0,0|0,1,1]=4 17744 B13R0.336 CCCCCCCCCOCCSC 34a_100000230434_100011214924 [0,2,0,0,0,0|0,1,1]=4 17745 B13R0.336 CCCCCCCCCOCCSC 7a_100000210712_100000212216 [0,2,0,0,0,0|0,1,1]=4 17746 B13R0.336 CCCCCCCCCOCCSC 7a_100000230434_100000210328 [0,2,0,0,0,0|0,1,1]=4 17747 B13R0.336 CCCCCCCCCSCCC#N 62a_100011215226_100000210670 [0,2,0,0,0,0|1,0,1]=4 17748 B13R0.336 CCCCCCCCCSCCCF 62a_100011934791_100000210670 [0,2,0,0,0,0|1,0,1]=4 17749 B13R0.336 CCCCCCCCCSCCCO 62a_100011215043_100000210670 [0,2,0,0,0,0|0,0,2]=4 17750 B13R0.336 CCCCCCCCCSCCOC 62a_100000233755_100000210670 [0,2,0,0,0,0|0,0,2]=4 17751 B13R0.336 CCCCCCCCCSCCSC 62a_100000212216_100000210670 [0,2,0,0,0,0|0,1,1]=4 17752 B13R0.336 CCCCCCCCCSCOCC 62a_100000739092_100000210670 [0,2,0,0,0,0|1,0,1]=4 17753 B13R0.336 CCCCCCCCCSCSC#N 62a_100000211825_100000210670 [0,2,0,0,0,0|1,0,1]=4 17754 B13R0.336 CCCCCCCCNCCCC#N 2230a_100000229939_100000687738 [0,2,0,0,0,0|1,0,1]=4 17755 B13R0.336 CCCCCCCCNCCCC=O 2230a_100000229939_200011292268 [0,2,0,0,0,0|0,0,0]=2 17756 B13R0.336 CCCCCCCCNCCCCC 2230a_100000209983_100000210759 [0,2,0,0,0,0|1,0,1]=4 17757 B13R0.336 CCCCCCCCNCCCCC 2230a_100000229939_100000210326 [0,2,0,0,0,0|1,0,1]=4 17758 B13R0.336 CCCCCCCCNCCCCC 34a_100000229939_100000718602 [0,2,0,0,0,0|1,0,1]=4 17759 B13R0.336 CCCCCCCCNCCCCF 2230a_100000229939_100000729493 [0,2,0,0,0,0|1,0,1]=4 17760 B13R0.336 CCCCCCCCNCCCCF 34a_100000229939_100000729493 [0,2,0,0,0,0|1,0,1]=4 17761 B13R0.336 CCCCCCCCNCCCCO 2230a_100000229939_100000210776 [0,2,0,0,0,0|0,0,2]=4 17762 B13R0.336 CCCCCCCCNCCCCO 2230a_100000750430_100000210759 [0,2,0,0,0,0|0,0,2]=4 17763 B13R0.336 CCCCCCCCNCCCCO 34a_100000229939_100011216708 [0,2,0,0,0,0|0,0,2]=4 17764 B13R0.336 CCCCCCCCNCCCCO 34a_100000750430_100000210759 [0,2,0,0,0,0|0,0,2]=4 17765 B13R0.336 CCCCCCCCNCCCOC 2230a_100000229939_100000740836 [0,2,0,0,0,0|0,0,2]=4 17766 B13R0.336 CCCCCCCCNCCCOC 34a_100000229939_100000740836 [0,2,0,0,0,0|0,0,2]=4 17767 B13R0.336 CCCCCCCCNCCCOC 34a_100150723488_100000210759 [0,2,0,0,0,0|0,0,2]=4 17768 B13R0.336 CCCCCCCCNCCCSC 2230a_100000749238_100000210759 [0,2,0,0,0,0|0,1,1]=4 17769 B13R0.336 CCCCCCCCNCCOCC 2230a_100000229939_100011215890 [0,2,0,0,0,0|1,0,1]=4 17770 B13R0.336 CCCCCCCCNCCOCC 2230a_102516460346_100000210759 [0,2,0,0,0,0|1,0,1]=4 17771 B13R0.336 CCCCCCCCNCCOCC 34a_100000229939_100000210147 [0,2,0,0,0,0|1,0,1]=4 17772 B13R0.336 CCCCCCCCNCCOCC 34a_102516460346_100000210759 [0,2,0,0,0,0|1,0,1]=4 17773 B13R0.336 CCCCCCCCNCCSCC 2230a_100000106463_100000210759 [0,2,0,0,0,0|1,0,1]=4 17774 B13R0.336 CCCCCCCCNCCSCC 2230a_100000229939_100000757381 [0,2,0,0,0,0|1,0,1]=4 17775 B13R0.336 CCCCCCCCNCCSCC 34a_100000229939_100000757381 [0,2,0,0,0,0|1,0,1]=4 17776 B13R0.336 CCCCCCCCOCCCC#N 7a_100000210232_100000687738 [0,2,0,0,0,0|1,0,1]=4 17777 B13R0.336 CCCCCCCCOCCCC=O 7a_100000210232_200011292268 [0,2,0,0,0,0|0,0,0]=2 17778 B13R0.336 CCCCCCCCOCCCCBr 34a_100011216708_100000210759 [0,2,0,0,0,0|1,0,1]=4 17779 B13R0.336 CCCCCCCCOCCCCC 34a_100000210232_100000718602 [0,2,0,0,0,0|1,0,1]=4 17780 B13R0.336 CCCCCCCCOCCCCC 34a_100000210253_100000210759 [0,2,0,0,0,0|1,0,1]=4 17781 B13R0.336 CCCCCCCCOCCCCC 7a_100000210232_100000210326 [0,2,0,0,0,0|1,0,1]=4 17782 B13R0.336 CCCCCCCCOCCCCC 7a_100000210253_100000210759 [0,2,0,0,0,0|1,0,1]=4 17783 B13R0.336 CCCCCCCCOCCCCCl 34a_100000210776_100000210759 [0,2,0,0,0,0|1,0,1]=4 17784 B13R0.336 CCCCCCCCOCCCCCl 7a_100000210776_100000210759 [0,2,0,0,0,0|1,0,1]=4 17785 B13R0.336 CCCCCCCCOCCCCF 34a_100000210232_100000729493 [0,2,0,0,0,0|1,0,1]=4 17786 B13R0.336 CCCCCCCCOCCCCF 34a_100011995726_100000210759 [0,2,0,0,0,0|1,0,1]=4 17787 B13R0.336 CCCCCCCCOCCCCF 7a_100000210232_100000729493 [0,2,0,0,0,0|1,0,1]=4 17788 B13R0.336 CCCCCCCCOCCCCF 7a_100011995726_100000210759 [0,2,0,0,0,0|1,0,1]=4 17789 B13R0.336 CCCCCCCCOCCCCI 34a_200012148704_100000210759 [0,2,0,0,0,0|1,0,1]=4 17790 B13R0.336 CCCCCCCCOCCCCN 34a_100000750430_100000210759 [0,2,0,0,0,0|1,0,1]=4 17791 B13R0.336 CCCCCCCCOCCCCO 34a_100000210232_100011216708 [0,2,0,0,0,0|0,0,2]=4 17792 B13R0.336 CCCCCCCCOCCCCO 7a_100000210232_100000210776 [0,2,0,0,0,0|0,0,2]=4 17793 B13R0.336 CCCCCCCCOCCCNC 34a_100000213112_100000210759 [0,2,0,0,0,0|1,0,1]=4 17794 B13R0.336 CCCCCCCCOCCCOC 34a_100000210232_100000740836 [0,2,0,0,0,0|0,0,2]=4 17795 B13R0.336 CCCCCCCCOCCCOC 34a_100000740835_100000210759 [0,2,0,0,0,0|0,0,2]=4 17796 B13R0.336 CCCCCCCCOCCCOC 7a_100000210232_100000740836 [0,2,0,0,0,0|0,0,2]=4 17797 B13R0.336 CCCCCCCCOCCCSC 34a_100000690336_100000210759 [0,2,0,0,0,0|0,1,1]=4 17798 B13R0.336 CCCCCCCCOCCCSC 7a_100000690336_100000210759 [0,2,0,0,0,0|0,1,1]=4 17799 B13R0.336 CCCCCCCCOCCOCC 34a_100000210136_100000210759 [0,2,0,0,0,0|1,0,1]=4 17800 B13R0.336 CCCCCCCCOCCOCC 34a_100000210232_100000210147 [0,2,0,0,0,0|1,0,1]=4 17801 B13R0.336 CCCCCCCCOCCOCC 7a_100000210136_100000210759 [0,2,0,0,0,0|1,0,1]=4 17802 B13R0.336 CCCCCCCCOCCOCC 7a_100000210232_100011215890 [0,2,0,0,0,0|1,0,1]=4 17803 B13R0.336 CCCCCCCCOCCSCC 34a_100000210232_100000757381 [0,2,0,0,0,0|1,0,1]=4 17804 B13R0.336 CCCCCCCCOCCSCC 34a_100000212035_100000210759 [0,2,0,0,0,0|1,0,1]=4 17805 B13R0.336 CCCCCCCCOCCSCC 7a_100000210232_100000757381 [0,2,0,0,0,0|1,0,1]=4 17806 B13R0.336 CCCCCCCCOCCSCC 7a_100000212035_100000210759 [0,2,0,0,0,0|1,0,1]=4 17807 B13R0.336 CCCCCCCCSCCCC#N 62a_100000210759_100000687738 [0,2,0,0,0,0|1,0,1]=4 17808 B13R0.336 CCCCCCCCSCCCC#N 62a_100000687738_100000210317 [0,2,0,0,0,0|1,0,1]=4 17809 B13R0.336 CCCCCCCCSCCCC=O 62a_100000210759_200011292268 [0,2,0,0,0,0|0,0,0]=2 17810 B13R0.336 CCCCCCCCSCCCC=O 62a_200011292268_100000210317 [0,2,0,0,0,0|0,0,0]=2 17811 B13R0.336 CCCCCCCCSCCCCF 62a_100000210759_100000729493 [0,2,0,0,0,0|1,0,1]=4 17812 B13R0.336 CCCCCCCCSCCCCF 62a_100000729493_100000210317 [0,2,0,0,0,0|1,0,1]=4 17813 B13R0.336 CCCCCCCCSCCCCO 62a_100000210759_100000210776 [0,2,0,0,0,0|0,0,2]=4 17814 B13R0.336 CCCCCCCCSCCCCO 62a_100000210776_100000210317 [0,2,0,0,0,0|0,0,2]=4 17815 B13R0.336 CCCCCCCCSCCCOC 62a_100000210759_100000709357 [0,2,0,0,0,0|0,0,2]=4 17816 B13R0.336 CCCCCCCCSCCCOC 62a_100000709357_100000210317 [0,2,0,0,0,0|0,0,2]=4 17817 B13R0.336 CCCCCCCCSCCOCC 62a_100000210147_100000210317 [0,2,0,0,0,0|1,0,1]=4 17818 B13R0.336 CCCCCCCCSCCOCC 62a_100000210759_100011215890 [0,2,0,0,0,0|1,0,1]=4 17819 B13R0.336 CCCCCCCCSCCSC#N 62a_100000034367_100000210317 [0,2,0,0,0,0|1,0,1]=4 17820 B13R0.336 CCCCCCCCSCCSC#N 62a_100000210759_100000034367 [0,2,0,0,0,0|1,0,1]=4 17821 B13R0.336 CCCCCCCCSCCSCC 62a_100000210759_100000757381 [0,2,0,0,0,0|1,0,1]=4 17822 B13R0.336 CCCCCCCCSCCSCC 62a_100000757381_100000210317 [0,2,0,0,0,0|1,0,1]=4 17823 B13R0.336 CCCCCCCNCCCCC#N 2230a_100000229938_100000211819 [0,2,0,0,0,0|1,0,1]=4 17824 B13R0.336 CCCCCCCNCCCCC=O 2230a_100000229938_100000139335 [0,2,0,0,0,0|0,0,0]=2 17825 B13R0.336 CCCCCCCNCCCCCC 2230a_100000210581_100000210681 [0,2,0,0,0,0|1,0,1]=4 17826 B13R0.336 CCCCCCCNCCCCCC 2230a_100000229938_100000210314 [0,2,0,0,0,0|1,0,1]=4 17827 B13R0.336 CCCCCCCNCCCCCF 2230a_100000229938_100000729378 [0,2,0,0,0,0|1,0,1]=4 17828 B13R0.336 CCCCCCCNCCCCCO 2230a_100000229938_100000746330 [0,2,0,0,0,0|0,0,2]=4 17829 B13R0.336 CCCCCCCNCCCCCO 2230a_100000762737_100000210681 [0,2,0,0,0,0|0,0,2]=4 17830 B13R0.336 CCCCCCCNCCCCCO 34a_100000762737_100000210614 [0,2,0,0,0,0|0,0,2]=4 17831 B13R0.336 CCCCCCCNCCCCOC 2230a_100000229938_100000730899 [0,2,0,0,0,0|0,0,2]=4 17832 B13R0.336 CCCCCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210681 [0,2,0,0,0,0|2,0,0]=4 17833 B13R0.336 CCCCCCCNCCCOCC 2230a_100000210961_100000210681 [0,2,0,0,0,0|1,0,1]=4 17834 B13R0.336 CCCCCCCNCCCOCC 2230a_100000229938_100012232248 [0,2,0,0,0,0|1,0,1]=4 17835 B13R0.336 CCCCCCCNCCCOCC 34a_100000210961_100000210614 [0,2,0,0,0,0|1,0,1]=4 17836 B13R0.336 CCCCCCCNCCOCC#N 2230a_100000229938_200000047693 [0,2,0,0,0,0|1,0,1]=4 17837 B13R0.336 CCCCCCCNCCOCCC 2230a_100000229938_100011215938 [0,2,0,0,0,0|1,0,1]=4 17838 B13R0.336 CCCCCCCNCCOCCC 2230a_100161115042_100000210681 [0,2,0,0,0,0|1,0,1]=4 17839 B13R0.336 CCCCCCCNCCOCCC 34a_100161115042_100000210614 [0,2,0,0,0,0|1,0,1]=4 17840 B13R0.336 CCCCCCCNCCOCCO 2230a_100000211614_100000210681 [0,2,0,0,0,0|0,0,2]=4 17841 B13R0.336 CCCCCCCNCCOCCO 2230a_100000229938_100011215305 [0,2,0,0,0,0|0,0,2]=4 17842 B13R0.336 CCCCCCCNCCOCCO 34a_100000211614_100000210614 [0,2,0,0,0,0|0,0,2]=4 17843 B13R0.336 CCCCCCCNCCSCCC 2230a_100020603323_100000210681 [0,2,0,0,0,0|1,0,1]=4 17844 B13R0.336 CCCCCCCNCCSCCO 2230a_100011219999_100000210681 [0,2,0,0,0,0|0,0,2]=4 17845 B13R0.336 CCCCCCCNCOCCCC 2230a_100000229938_100011995733 [0,2,0,0,0,0|1,0,1]=4 17846 B13R0.336 CCCCCCCNCOCCOC 2230a_100000229938_100000231047 [0,2,0,0,0,0|2,0,0]=4 17847 B13R0.336 CCCCCCCOCCCCC#N 7a_100000210272_100000211819 [0,2,0,0,0,0|1,0,1]=4 17848 B13R0.336 CCCCCCCOCCCCC=O 7a_100000210272_100000139335 [0,2,0,0,0,0|0,0,0]=2 17849 B13R0.336 CCCCCCCOCCCCCBr 34a_100000746331_100000210614 [0,2,0,0,0,0|1,0,1]=4 17850 B13R0.336 CCCCCCCOCCCCCBr 7a_100000746331_100000210614 [0,2,0,0,0,0|1,0,1]=4 17851 B13R0.336 CCCCCCCOCCCCCC 34a_100000210259_100000210614 [0,2,0,0,0,0|1,0,1]=4 17852 B13R0.336 CCCCCCCOCCCCCC 34a_100000210272_100000210314 [0,2,0,0,0,0|1,0,1]=4 17853 B13R0.336 CCCCCCCOCCCCCC 7a_100000210259_100000210614 [0,2,0,0,0,0|1,0,1]=4 17854 B13R0.336 CCCCCCCOCCCCCC 7a_100000210272_100000210314 [0,2,0,0,0,0|1,0,1]=4 17855 B13R0.336 CCCCCCCOCCCCCCl 34a_100000746330_100000210614 [0,2,0,0,0,0|1,0,1]=4 17856 B13R0.336 CCCCCCCOCCCCCCl 7a_100000746330_100000210614 [0,2,0,0,0,0|1,0,1]=4 17857 B13R0.336 CCCCCCCOCCCCCF 34a_100000210272_100000729378 [0,2,0,0,0,0|1,0,1]=4 17858 B13R0.336 CCCCCCCOCCCCCF 7a_100000210272_100000729378 [0,2,0,0,0,0|1,0,1]=4 17859 B13R0.336 CCCCCCCOCCCCCI 34a_200012148887_100000210614 [0,2,0,0,0,0|1,0,1]=4 17860 B13R0.336 CCCCCCCOCCCCCI 7a_200012148887_100000210614 [0,2,0,0,0,0|1,0,1]=4 17861 B13R0.336 CCCCCCCOCCCCCN 34a_100000762737_100000210614 [0,2,0,0,0,0|1,0,1]=4 17862 B13R0.336 CCCCCCCOCCCCCO 34a_100000210272_100000746330 [0,2,0,0,0,0|0,0,2]=4 17863 B13R0.336 CCCCCCCOCCCCCO 7a_100000210272_100000746330 [0,2,0,0,0,0|0,0,2]=4 17864 B13R0.336 CCCCCCCOCCCCOC 34a_100000210272_100000755781 [0,2,0,0,0,0|0,0,2]=4 17865 B13R0.336 CCCCCCCOCCCCOC 34a_100000740925_100000210614 [0,2,0,0,0,0|0,0,2]=4 17866 B13R0.336 CCCCCCCOCCCCOC 7a_100000210272_100000730899 [0,2,0,0,0,0|0,0,2]=4 17867 B13R0.336 CCCCCCCOCCCCSC 34a_100011217163_100000210614 [0,2,0,0,0,0|0,1,1]=4 17868 B13R0.336 CCCCCCCOCCCCSC 7a_100011217163_100000210614 [0,2,0,0,0,0|0,1,1]=4 17869 B13R0.336 CCCCCCCOCCCOCC 34a_100000210272_100012232248 [0,2,0,0,0,0|1,0,1]=4 17870 B13R0.336 CCCCCCCOCCCOCC 34a_100000757476_100000210614 [0,2,0,0,0,0|1,0,1]=4 17871 B13R0.336 CCCCCCCOCCCOCC 7a_100000210272_100012232248 [0,2,0,0,0,0|1,0,1]=4 17872 B13R0.336 CCCCCCCOCCCOCC 7a_100000757476_100000210614 [0,2,0,0,0,0|1,0,1]=4 17873 B13R0.336 CCCCCCCOCCCSCC 34a_100011216438_100000210614 [0,2,0,0,0,0|1,0,1]=4 17874 B13R0.336 CCCCCCCOCCCSCC 7a_100011216438_100000210614 [0,2,0,0,0,0|1,0,1]=4 17875 B13R0.336 CCCCCCCOCCOCC#N 7a_100000210272_200000047693 [0,2,0,0,0,0|1,0,1]=4 17876 B13R0.336 CCCCCCCOCCOCCBr 34a_100000692535_100000210614 [0,2,0,0,0,0|1,0,1]=4 17877 B13R0.336 CCCCCCCOCCOCCBr 7a_100000692535_100000210614 [0,2,0,0,0,0|1,0,1]=4 17878 B13R0.336 CCCCCCCOCCOCCC 34a_100000210272_100011215938 [0,2,0,0,0,0|1,0,1]=4 17879 B13R0.336 CCCCCCCOCCOCCC 34a_100000752267_100000210614 [0,2,0,0,0,0|1,0,1]=4 17880 B13R0.336 CCCCCCCOCCOCCC 7a_100000210272_100011215938 [0,2,0,0,0,0|1,0,1]=4 17881 B13R0.336 CCCCCCCOCCOCCC 7a_100000752267_100000210614 [0,2,0,0,0,0|1,0,1]=4 17882 B13R0.336 CCCCCCCOCCOCCCl 34a_100011215305_100000210614 [0,2,0,0,0,0|1,0,1]=4 17883 B13R0.336 CCCCCCCOCCOCCCl 7a_100011215305_100000210614 [0,2,0,0,0,0|1,0,1]=4 17884 B13R0.336 CCCCCCCOCCOCCF 34a_200015357709_100000210614 [0,2,0,0,0,0|1,0,1]=4 17885 B13R0.336 CCCCCCCOCCOCCF 7a_200015357709_100000210614 [0,2,0,0,0,0|1,0,1]=4 17886 B13R0.336 CCCCCCCOCCOCCI 34a_100012149058_100000210614 [0,2,0,0,0,0|1,0,1]=4 17887 B13R0.336 CCCCCCCOCCOCCI 7a_100012149058_100000210614 [0,2,0,0,0,0|1,0,1]=4 17888 B13R0.336 CCCCCCCOCCOCCN 34a_100000211614_100000210614 [0,2,0,0,0,0|1,0,1]=4 17889 B13R0.336 CCCCCCCOCCOCCO 34a_100000210272_100000692535 [0,2,0,0,0,0|0,0,2]=4 17890 B13R0.336 CCCCCCCOCCOCCO 7a_100000210272_100011215305 [0,2,0,0,0,0|0,0,2]=4 17891 B13R0.336 CCCCCCCOCCSCCC 34a_200000230433_100000210614 [0,2,0,0,0,0|1,0,1]=4 17892 B13R0.336 CCCCCCCOCCSCCC 7a_200000230433_100000210614 [0,2,0,0,0,0|1,0,1]=4 17893 B13R0.336 CCCCCCCOCOCCCC 34a_100000210272_100011995733 [0,2,0,0,0,0|1,0,1]=4 17894 B13R0.336 CCCCCCCSCCCCC#N 62a_100000210614_100000211819 [0,2,0,0,0,0|1,0,1]=4 17895 B13R0.336 CCCCCCCSCCCCC#N 62a_100011219923_100000210316 [0,2,0,0,0,0|1,0,1]=4 17896 B13R0.336 CCCCCCCSCCCCC=O 62a_100000139335_100000210316 [0,2,0,0,0,0|0,0,0]=2 17897 B13R0.336 CCCCCCCSCCCCC=O 62a_100000210614_100000139335 [0,2,0,0,0,0|0,0,0]=2 17898 B13R0.336 CCCCCCCSCCCCCF 62a_100000210614_100000729378 [0,2,0,0,0,0|1,0,1]=4 17899 B13R0.336 CCCCCCCSCCCCCF 62a_100000729378_100000210316 [0,2,0,0,0,0|1,0,1]=4 17900 B13R0.336 CCCCCCCSCCCCCO 62a_100000210614_100000746330 [0,2,0,0,0,0|0,0,2]=4 17901 B13R0.336 CCCCCCCSCCCCCO 62a_100000746330_100000210316 [0,2,0,0,0,0|0,0,2]=4 17902 B13R0.336 CCCCCCCSCCCCOC 62a_100000210614_100000730899 [0,2,0,0,0,0|0,0,2]=4 17903 B13R0.336 CCCCCCCSCCCCOC 62a_100000730899_100000210316 [0,2,0,0,0,0|0,0,2]=4 17904 B13R0.336 CCCCCCCSCCCOCC 62a_100000210614_100012232248 [0,2,0,0,0,0|1,0,1]=4 17905 B13R0.336 CCCCCCCSCCCOCC 62a_100012232248_100000210316 [0,2,0,0,0,0|1,0,1]=4 17906 B13R0.336 CCCCCCCSCCOCC#N 62a_100000210614_200000047693 [0,2,0,0,0,0|1,0,1]=4 17907 B13R0.336 CCCCCCCSCCOCC#N 62a_200000047693_100000210316 [0,2,0,0,0,0|1,0,1]=4 17908 B13R0.336 CCCCCCCSCCOCCC 62a_100000210614_100011215938 [0,2,0,0,0,0|1,0,1]=4 17909 B13R0.336 CCCCCCCSCCOCCC 62a_100011215938_100000210316 [0,2,0,0,0,0|1,0,1]=4 17910 B13R0.336 CCCCCCCSCCOCCO 62a_100000210614_100011215305 [0,2,0,0,0,0|0,0,2]=4 17911 B13R0.336 CCCCCCCSCCOCCO 62a_100011215305_100000210316 [0,2,0,0,0,0|0,0,2]=4 17912 B13R0.336 CCCCCCCSCOCCCC 62a_100000210614_100011995733 [0,2,0,0,0,0|1,0,1]=4 17913 B13R0.336 CCCCCCCSCOCCCC 62a_100011995733_100000210316 [0,2,0,0,0,0|1,0,1]=4 17914 B13R0.336 CCCCCCCSCOCCOC 62a_100000210614_100000231047 [0,2,0,0,0,0|2,0,0]=4 17915 B13R0.336 CCCCCCCSCOCCOC 62a_100000231047_100000210316 [0,2,0,0,0,0|2,0,0]=4 17916 B13R0.336 CCCCCCNCCCCCC#N 2230a_100000210581_100009813376 [0,2,0,0,0,0|1,0,1]=4 17917 B13R0.336 CCCCCCNCCCCCC=O 2230a_100000210581_100000139337 [0,2,0,0,0,0|0,0,0]=2 17918 B13R0.336 CCCCCCNCCCCCCF 2230a_100000210581_100015922095 [0,2,0,0,0,0|1,0,1]=4 17919 B13R0.336 CCCCCCNCCCCCCO 2230a_100000210581_100000766143 [0,2,0,0,0,0|0,0,2]=4 17920 B13R0.336 CCCCCCNCCCCCCO 2230a_100000686447_100000210314 [0,2,0,0,0,0|0,0,2]=4 17921 B13R0.336 CCCCCCNCCCCCCO 34a_100000686447_100000210314 [0,2,0,0,0,0|0,0,2]=4 17922 B13R0.336 CCCCCCNCCCCCOC 2230a_100000747528_100000210314 [0,2,0,0,0,0|0,0,2]=4 17923 B13R0.336 CCCCCCNCCCCCOC 34a_100000747528_100000210314 [0,2,0,0,0,0|0,0,2]=4 17924 B13R0.336 CCCCCCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210314 [0,2,0,0,0,0|2,0,0]=4 17925 B13R0.336 CCCCCCNCCCOCCC 2230a_100011217757_100000210314 [0,2,0,0,0,0|1,0,1]=4 17926 B13R0.336 CCCCCCNCCCOCCC 34a_100011217757_100000210314 [0,2,0,0,0,0|1,0,1]=4 17927 B13R0.336 CCCCCCNCCOCCCC 2230a_100000210581_100000743108 [0,2,0,0,0,0|1,0,1]=4 17928 B13R0.336 CCCCCCNCCOCCOC 2230a_100000210581_100000695917 [0,2,0,0,0,0|2,0,0]=4 17929 B13R0.336 CCCCCCNCCOCCOC 2230a_100000745349_100000210314 [0,2,0,0,0,0|2,0,0]=4 17930 B13R0.336 CCCCCCNCCOCCOC 34a_100000745349_100000210314 [0,2,0,0,0,0|2,0,0]=4 17931 B13R0.336 CCCCCCNCCSCCCC 2230a_100025743550_100000210314 [0,2,0,0,0,0|1,0,1]=4 17932 B13R0.336 CCCCCCOCCCCCC#N 7a_100000210259_100009813376 [0,2,0,0,0,0|1,0,1]=4 17933 B13R0.336 CCCCCCOCCCCCC=O 7a_100000210259_100000139337 [0,2,0,0,0,0|0,0,0]=2 17934 B13R0.336 CCCCCCOCCCCCCBr 34a_100011215345_100000210314 [0,2,0,0,0,0|1,0,1]=4 17935 B13R0.336 CCCCCCOCCCCCCBr 7a_100011215345_100000210314 [0,2,0,0,0,0|1,0,1]=4 17936 B13R0.336 CCCCCCOCCCCCCCl 34a_100000766143_100000210314 [0,2,0,0,0,0|1,0,1]=4 17937 B13R0.336 CCCCCCOCCCCCCCl 7a_100000766143_100000210314 [0,2,0,0,0,0|1,0,1]=4 17938 B13R0.336 CCCCCCOCCCCCCF 34a_100000210259_100015922095 [0,2,0,0,0,0|1,0,1]=4 17939 B13R0.336 CCCCCCOCCCCCCF 34a_100000732779_100000210314 [0,2,0,0,0,0|1,0,1]=4 17940 B13R0.336 CCCCCCOCCCCCCF 7a_100000210259_100015922095 [0,2,0,0,0,0|1,0,1]=4 17941 B13R0.336 CCCCCCOCCCCCCF 7a_100000732779_100000210314 [0,2,0,0,0,0|1,0,1]=4 17942 B13R0.336 CCCCCCOCCCCCCN 34a_100000686447_100000210314 [0,2,0,0,0,0|1,0,1]=4 17943 B13R0.336 CCCCCCOCCCCCCO 34a_100000210259_100000766143 [0,2,0,0,0,0|0,0,2]=4 17944 B13R0.336 CCCCCCOCCCCCCO 7a_100000210259_100000766143 [0,2,0,0,0,0|0,0,2]=4 17945 B13R0.336 CCCCCCOCCCCCNC 34a_100000722520_100000210314 [0,2,0,0,0,0|1,0,1]=4 17946 B13R0.336 CCCCCCOCCOCCC#N 7a_100000691444_100000184422 [0,2,0,0,0,0|1,0,1]=4 17947 B13R0.336 CCCCCCOCCOCCCC 34a_100000210238_100000210314 [0,2,0,0,0,0|1,0,1]=4 17948 B13R0.336 CCCCCCOCCOCCCC 34a_100000210259_100000743108 [0,2,0,0,0,0|1,0,1]=4 17949 B13R0.336 CCCCCCOCCOCCCC 34a_100000691444_100000210210 [0,2,0,0,0,0|1,0,1]=4 17950 B13R0.336 CCCCCCOCCOCCCC 7a_100000210238_100000210314 [0,2,0,0,0,0|1,0,1]=4 17951 B13R0.336 CCCCCCOCCOCCCC 7a_100000210259_100000743108 [0,2,0,0,0,0|1,0,1]=4 17952 B13R0.336 CCCCCCOCCOCCCC 7a_100000691444_100000210211 [0,2,0,0,0,0|1,0,1]=4 17953 B13R0.336 CCCCCCOCCOCCCF 34a_100000691444_100011934791 [0,2,0,0,0,0|1,0,1]=4 17954 B13R0.336 CCCCCCOCCOCCCF 7a_100000691444_100011934791 [0,2,0,0,0,0|1,0,1]=4 17955 B13R0.336 CCCCCCOCCOCCCO 34a_100000691444_100000230001 [0,2,0,0,0,0|0,0,2]=4 17956 B13R0.336 CCCCCCOCCOCCCO 7a_100000691444_100011215043 [0,2,0,0,0,0|0,0,2]=4 17957 B13R0.336 CCCCCCOCCOCCNC 34a_100000228057_100000210314 [0,2,0,0,0,0|2,0,0]=4 17958 B13R0.336 CCCCCCOCCOCCOC 34a_100000032842_200000210301 [0,2,0,0,0,0|2,0,0]=4 17959 B13R0.336 CCCCCCOCCOCCOC 34a_100000210259_100000695917 [0,2,0,0,0,0|2,0,0]=4 17960 B13R0.336 CCCCCCOCCOCCOC 34a_100000691444_100011201679 [0,2,0,0,0,0|2,0,0]=4 17961 B13R0.336 CCCCCCOCCOCCOC 34a_100011215163_100000210314 [0,2,0,0,0,0|2,0,0]=4 17962 B13R0.336 CCCCCCOCCOCCOC 7a_100000032842_200000210301 [0,2,0,0,0,0|2,0,0]=4 17963 B13R0.336 CCCCCCOCCOCCOC 7a_100000210259_100000695917 [0,2,0,0,0,0|2,0,0]=4 17964 B13R0.336 CCCCCCOCCOCCOC 7a_100000691444_100000233755 [0,2,0,0,0,0|2,0,0]=4 17965 B13R0.336 CCCCCCOCCOCCOC 7a_100011215163_100000210314 [0,2,0,0,0,0|2,0,0]=4 17966 B13R0.336 CCCCCCOCCOCCO[13CH3] 34a_100000032842_200025704644 [0,2,0,0,0,0|2,0,0]=4 17967 B13R0.336 CCCCCCOCCOCCO[13CH3] 7a_100000032842_200025704644 [0,2,0,0,0,0|2,0,0]=4 17968 B13R0.336 CCCCCCOCCOCCSC 34a_100000691444_100000212216 [0,2,0,0,0,0|2,0,0]=4 17969 B13R0.336 CCCCCCOCCOCCSC 7a_100000691444_100000212216 [0,2,0,0,0,0|2,0,0]=4 17970 B13R0.336 CCCCCCOCCSCCCC 34a_200000230436_100000210314 [0,2,0,0,0,0|1,0,1]=4 17971 B13R0.336 CCCCCCOCCSCCCC 7a_200000230436_100000210314 [0,2,0,0,0,0|1,0,1]=4 17972 B13R0.336 CCCCCCSCCCCCC#N 62a_100000210314_100009813376 [0,2,0,0,0,0|1,0,1]=4 17973 B13R0.336 CCCCCCSCCCCCC#N 62a_100009813376_100000210757 [0,2,0,0,0,0|1,0,1]=4 17974 B13R0.336 CCCCCCSCCCCCC=O 62a_100000139337_100000210757 [0,2,0,0,0,0|0,0,0]=2 17975 B13R0.336 CCCCCCSCCCCCC=O 62a_100000210314_100000139337 [0,2,0,0,0,0|0,0,0]=2 17976 B13R0.336 CCCCCCSCCCCCCF 62a_100000210314_100015922095 [0,2,0,0,0,0|1,0,1]=4 17977 B13R0.336 CCCCCCSCCCCCCF 62a_100015922095_100000210757 [0,2,0,0,0,0|1,0,1]=4 17978 B13R0.336 CCCCCCSCCCCCCO 62a_100000210314_100000766143 [0,2,0,0,0,0|0,0,2]=4 17979 B13R0.336 CCCCCCSCCCCCCO 62a_100000766143_100000210757 [0,2,0,0,0,0|0,0,2]=4 17980 B13R0.336 CCCCCCSCCOCCCC 62a_100000210314_100000743108 [0,2,0,0,0,0|1,0,1]=4 17981 B13R0.336 CCCCCCSCCOCCCC 62a_100000743108_100000210757 [0,2,0,0,0,0|1,0,1]=4 17982 B13R0.336 CCCCCCSCCOCCOC 62a_100000210314_100000695917 [0,2,0,0,0,0|2,0,0]=4 17983 B13R0.336 CCCCCCSCCOCCOC 62a_100000695917_100000210757 [0,2,0,0,0,0|2,0,0]=4 17984 B13R0.336 CCCCCNCCCCCCC#N 2230a_100000209983_100009813337 [0,2,0,0,0,0|1,0,1]=4 17985 B13R0.336 CCCCCNCCCCCCCO 2230a_100000209983_100000760002 [0,2,0,0,0,0|0,0,2]=4 17986 B13R0.336 CCCCCNCCCCCCCO 2230a_100011996573_100000210326 [0,2,0,0,0,0|0,0,2]=4 17987 B13R0.336 CCCCCNCCCCCCCO 34a_100011996573_100000718602 [0,2,0,0,0,0|0,0,2]=4 17988 B13R0.336 CCCCCNCCCCCCOC 2230a_100000209983_100011998445 [0,2,0,0,0,0|0,0,2]=4 17989 B13R0.336 CCCCCNCCCOCCCC 2230a_200000211371_100000210326 [0,2,0,0,0,0|1,0,1]=4 17990 B13R0.336 CCCCCNCCCOCCCC 34a_200000211371_100000718602 [0,2,0,0,0,0|1,0,1]=4 17991 B13R0.336 CCCCCNCCCOCCCO 2230a_100011310245_100000210326 [0,2,0,0,0,0|0,0,2]=4 17992 B13R0.336 CCCCCNCCCOCCCO 34a_100011310245_100000718602 [0,2,0,0,0,0|0,0,2]=4 17993 B13R0.336 CCCCCNCCCOCCOC 2230a_100000206027_100000210326 [0,2,0,0,0,0|2,0,0]=4 17994 B13R0.336 CCCCCNCCCOCCOC 2230a_100000209983_100011216529 [0,2,0,0,0,0|2,0,0]=4 17995 B13R0.336 CCCCCNCCCOCCOC 34a_100000206027_100000718602 [0,2,0,0,0,0|2,0,0]=4 17996 B13R0.336 CCCCCNCCOCCCCC 34a_100000224656_100000718602 [0,2,0,0,0,0|1,0,1]=4 17997 B13R0.336 CCCCCNCCOCCCCF 34a_100000224656_100000729493 [0,2,0,0,0,0|1,0,1]=4 17998 B13R0.336 CCCCCNCCOCCCCO 34a_100000224656_100011216708 [0,2,0,0,0,0|0,0,2]=4 17999 B13R0.336 CCCCCNCCOCCCOC 34a_100000224656_100000740836 [0,2,0,0,0,0|2,0,0]=4 18000 B13R0.336 CCCCCOCCCCCCC#N 7a_100000210253_100009813337 [0,2,0,0,0,0|1,0,1]=4 18001 B13R0.336 CCCCCOCCCCCCCBr 34a_100000760002_100000718602 [0,2,0,0,0,0|1,0,1]=4 18002 B13R0.336 CCCCCOCCCCCCCBr 7a_100000760002_100000210326 [0,2,0,0,0,0|1,0,1]=4 18003 B13R0.336 CCCCCOCCCCCCCN 34a_100011996573_100000718602 [0,2,0,0,0,0|1,0,1]=4 18004 B13R0.336 CCCCCOCCCCCCCO 34a_100000210253_100000760002 [0,2,0,0,0,0|0,0,2]=4 18005 B13R0.336 CCCCCOCCCCCCCO 7a_100000210253_100000760002 [0,2,0,0,0,0|0,0,2]=4 18006 B13R0.336 CCCCCOCCCCCCOC 34a_100000210253_100011998445 [0,2,0,0,0,0|0,0,2]=4 18007 B13R0.336 CCCCCOCCCCCCOC 34a_200012092642_100000718602 [0,2,0,0,0,0|0,0,2]=4 18008 B13R0.336 CCCCCOCCCCCCOC 7a_100000210253_100011998445 [0,2,0,0,0,0|0,0,2]=4 18009 B13R0.336 CCCCCOCCCCCCOC 7a_200012092642_100000210326 [0,2,0,0,0,0|0,0,2]=4 18010 B13R0.336 CCCCCOCCCOCCCC 34a_200011215613_100000718602 [0,2,0,0,0,0|1,0,1]=4 18011 B13R0.336 CCCCCOCCCOCCCC 7a_200011215613_100000210326 [0,2,0,0,0,0|1,0,1]=4 18012 B13R0.336 CCCCCOCCCOCCCN 34a_100011310245_100000718602 [0,2,0,0,0,0|1,0,1]=4 18013 B13R0.336 CCCCCOCCCOCCOC 34a_100000210253_100011216529 [0,2,0,0,0,0|2,0,0]=4 18014 B13R0.336 CCCCCOCCCOCCOC 7a_100000210253_100011216529 [0,2,0,0,0,0|2,0,0]=4 18015 B13R0.336 CCCCCOCCOCCCC#N 7a_100011215259_100000687738 [0,2,0,0,0,0|1,0,1]=4 18016 B13R0.336 CCCCCOCCOCCCC=O 7a_100011215259_200011292268 [0,2,0,0,0,0|0,0,0]=2 18017 B13R0.336 CCCCCOCCOCCCCC 34a_100011215259_100000718602 [0,2,0,0,0,0|1,0,1]=4 18018 B13R0.336 CCCCCOCCOCCCCC 7a_100011215259_100000210326 [0,2,0,0,0,0|1,0,1]=4 18019 B13R0.336 CCCCCOCCOCCCCF 34a_100011215259_100000729493 [0,2,0,0,0,0|1,0,1]=4 18020 B13R0.336 CCCCCOCCOCCCCF 7a_100011215259_100000729493 [0,2,0,0,0,0|1,0,1]=4 18021 B13R0.336 CCCCCOCCOCCCCO 34a_100011215259_100011216708 [0,2,0,0,0,0|0,0,2]=4 18022 B13R0.336 CCCCCOCCOCCCCO 7a_100011215259_100000210776 [0,2,0,0,0,0|0,0,2]=4 18023 B13R0.336 CCCCCOCCOCCCOC 34a_100011215259_100000740836 [0,2,0,0,0,0|2,0,0]=4 18024 B13R0.336 CCCCCOCCOCCCOC 7a_100011215259_100000740836 [0,2,0,0,0,0|2,0,0]=4 18025 B13R0.336 CCCCCSCCCCCCC#N 62a_100000210326_100009813337 [0,2,0,0,0,0|1,0,1]=4 18026 B13R0.336 CCCCCSCCCCCCC#N 62a_100009813337_100000210326 [0,2,0,0,0,0|1,0,1]=4 18027 B13R0.336 CCCCCSCCCCCCCO 62a_100000210326_100000760002 [0,2,0,0,0,0|0,0,2]=4 18028 B13R0.336 CCCCCSCCCCCCCO 62a_100000760002_100000210326 [0,2,0,0,0,0|0,0,2]=4 18029 B13R0.336 CCCCCSCCCCCCOC 62a_100000210326_100011998445 [0,2,0,0,0,0|0,0,2]=4 18030 B13R0.336 CCCCCSCCCCCCOC 62a_100011998445_100000210326 [0,2,0,0,0,0|0,0,2]=4 18031 B13R0.336 CCCCCSCCCOCCOC 62a_100000210326_100011216529 [0,2,0,0,0,0|2,0,0]=4 18032 B13R0.336 CCCCCSCCCOCCOC 62a_100011216529_100000210326 [0,2,0,0,0,0|2,0,0]=4 18033 B13R0.336 CCCCNCCCCCCCCO 2230a_100000102301_100000033203 [0,2,0,0,0,0|0,0,2]=4 18034 B13R0.336 CCCCNCCCCCCCCO 2230a_102515433106_100000210211 [0,2,0,0,0,0|0,0,2]=4 18035 B13R0.336 CCCCNCCCCCCCCO 34a_102515433106_100000210210 [0,2,0,0,0,0|0,0,2]=4 18036 B13R0.336 CCCCNCCCCCCCCO 7a_106832991798_100000033203 [0,2,0,0,0,0|0,0,2]=4 18037 B13R0.336 CCCCNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000210211 [0,2,0,0,0,0|2,0,0]=4 18038 B13R0.336 CCCCNCCCCOCCCC 34a_200011216965_100000210210 [0,2,0,0,0,0|1,0,1]=4 18039 B13R0.336 CCCCNCCCCOCCCF 34a_200011216965_100011934791 [0,2,0,0,0,0|1,0,1]=4 18040 B13R0.336 CCCCNCCCCOCCCO 34a_200011216965_100000230001 [0,2,0,0,0,0|0,0,2]=4 18041 B13R0.336 CCCCNCCCCOCCOC 34a_200011216965_100011201679 [0,2,0,0,0,0|2,0,0]=4 18042 B13R0.336 CCCCNCCCCOCCSC 34a_200011216965_100000212216 [0,2,0,0,0,0|2,0,0]=4 18043 B13R0.336 CCCCOCCCCCCCCBr 34a_100009813846_100000210210 [0,2,0,0,0,0|1,0,1]=4 18044 B13R0.336 CCCCOCCCCCCCCBr 7a_100009813846_100000210211 [0,2,0,0,0,0|1,0,1]=4 18045 B13R0.336 CCCCOCCCCCCCCCl 34a_100000033203_100000210210 [0,2,0,0,0,0|1,0,1]=4 18046 B13R0.336 CCCCOCCCCCCCCCl 7a_100000033203_100000210211 [0,2,0,0,0,0|1,0,1]=4 18047 B13R0.336 CCCCOCCCCCCCCN 34a_102515433106_100000210210 [0,2,0,0,0,0|1,0,1]=4 18048 B13R0.336 CCCCOCCCCCCCCO 34a_100000210227_100000033203 [0,2,0,0,0,0|0,0,2]=4 18049 B13R0.336 CCCCOCCCCCCCCO 7a_100000210227_100000033203 [0,2,0,0,0,0|0,0,2]=4 18050 B13R0.336 CCCCOCCCCCNCCN 34a_103619048469_100000210210 [0,2,0,0,0,0|1,0,1]=4 18051 B13R0.336 CCCCOCCCCOCCC#N 7a_200000760531_100000184422 [0,2,0,0,0,0|1,0,1]=4 18052 B13R0.336 CCCCOCCCCOCCCC 34a_200000760531_100000210210 [0,2,0,0,0,0|1,0,1]=4 18053 B13R0.336 CCCCOCCCCOCCCC 7a_200000760531_100000210211 [0,2,0,0,0,0|1,0,1]=4 18054 B13R0.336 CCCCOCCCCOCCCF 34a_200000760531_100011934791 [0,2,0,0,0,0|1,0,1]=4 18055 B13R0.336 CCCCOCCCCOCCCF 7a_200000760531_100011934791 [0,2,0,0,0,0|1,0,1]=4 18056 B13R0.336 CCCCOCCCCOCCCO 34a_200000760531_100000230001 [0,2,0,0,0,0|0,0,2]=4 18057 B13R0.336 CCCCOCCCCOCCCO 7a_200000760531_100011215043 [0,2,0,0,0,0|0,0,2]=4 18058 B13R0.336 CCCCOCCCCOCCOC 34a_200000760531_100011201679 [0,2,0,0,0,0|2,0,0]=4 18059 B13R0.336 CCCCOCCCCOCCOC 7a_200000760531_100000233755 [0,2,0,0,0,0|2,0,0]=4 18060 B13R0.336 CCCCOCCCCOCCSC 34a_200000760531_100000212216 [0,2,0,0,0,0|2,0,0]=4 18061 B13R0.336 CCCCOCCCCOCCSC 7a_200000760531_100000212216 [0,2,0,0,0,0|2,0,0]=4 18062 B13R0.336 CCCCOCCCNCCCC#N 2230a_200000211371_100000687738 [0,2,0,0,0,0|1,0,1]=4 18063 B13R0.336 CCCCOCCCNCCCC=O 2230a_200000211371_200011292268 [0,2,0,0,0,0|0,0,0]=2 18064 B13R0.336 CCCCOCCCNCCCCF 2230a_200000211371_100000729493 [0,2,0,0,0,0|1,0,1]=4 18065 B13R0.336 CCCCOCCCNCCCCF 34a_200000211371_100000729493 [0,2,0,0,0,0|1,0,1]=4 18066 B13R0.336 CCCCOCCCNCCCCO 2230a_200000211371_100000210776 [0,2,0,0,0,0|0,0,2]=4 18067 B13R0.336 CCCCOCCCNCCCCO 34a_200000211371_100011216708 [0,2,0,0,0,0|0,0,2]=4 18068 B13R0.336 CCCCOCCCNCCCOC 2230a_200000211371_100000740836 [0,2,0,0,0,0|2,0,0]=4 18069 B13R0.336 CCCCOCCCNCCCOC 34a_200000211371_100000740836 [0,2,0,0,0,0|2,0,0]=4 18070 B13R0.336 CCCCOCCCOCCCC#N 7a_200011215613_100000687738 [0,2,0,0,0,0|1,0,1]=4 18071 B13R0.336 CCCCOCCCOCCCC=O 7a_200011215613_200011292268 [0,2,0,0,0,0|0,0,0]=2 18072 B13R0.336 CCCCOCCCOCCCCF 34a_200011215613_100000729493 [0,2,0,0,0,0|1,0,1]=4 18073 B13R0.336 CCCCOCCCOCCCCF 7a_200011215613_100000729493 [0,2,0,0,0,0|1,0,1]=4 18074 B13R0.336 CCCCOCCCOCCCCO 34a_200011215613_100011216708 [0,2,0,0,0,0|0,0,2]=4 18075 B13R0.336 CCCCOCCCOCCCCO 7a_200011215613_100000210776 [0,2,0,0,0,0|0,0,2]=4 18076 B13R0.336 CCCCOCCCOCCCOC 34a_200011215475_100000210210 [0,2,0,0,0,0|2,0,0]=4 18077 B13R0.336 CCCCOCCCOCCCOC 34a_200011215613_100000740836 [0,2,0,0,0,0|2,0,0]=4 18078 B13R0.336 CCCCOCCCOCCCOC 7a_200011215475_100000210211 [0,2,0,0,0,0|2,0,0]=4 18079 B13R0.336 CCCCOCCCOCCCOC 7a_200011215613_100000740836 [0,2,0,0,0,0|2,0,0]=4 18080 B13R0.336 CCCCOCCNCCCCCO 2230a_100000762737_100000743108 [0,2,0,0,0,0|0,0,2]=4 18081 B13R0.336 CCCCOCCNCCCCCO 34a_100000762737_100000743108 [0,2,0,0,0,0|0,0,2]=4 18082 B13R0.336 CCCCOCCOCCCCC#N 7a_100000210238_100000211819 [0,2,0,0,0,0|1,0,1]=4 18083 B13R0.336 CCCCOCCOCCCCC=O 7a_100000210238_100000139335 [0,2,0,0,0,0|0,0,0]=2 18084 B13R0.336 CCCCOCCOCCCCCBr 34a_100000746331_100000743108 [0,2,0,0,0,0|1,0,1]=4 18085 B13R0.336 CCCCOCCOCCCCCBr 7a_100000746331_100000743108 [0,2,0,0,0,0|1,0,1]=4 18086 B13R0.336 CCCCOCCOCCCCCCl 34a_100000746330_100000743108 [0,2,0,0,0,0|1,0,1]=4 18087 B13R0.336 CCCCOCCOCCCCCCl 7a_100000746330_100000743108 [0,2,0,0,0,0|1,0,1]=4 18088 B13R0.336 CCCCOCCOCCCCCF 34a_100000210238_100000729378 [0,2,0,0,0,0|1,0,1]=4 18089 B13R0.336 CCCCOCCOCCCCCF 7a_100000210238_100000729378 [0,2,0,0,0,0|1,0,1]=4 18090 B13R0.336 CCCCOCCOCCCCCI 34a_200012148887_100000743108 [0,2,0,0,0,0|1,0,1]=4 18091 B13R0.336 CCCCOCCOCCCCCI 7a_200012148887_100000743108 [0,2,0,0,0,0|1,0,1]=4 18092 B13R0.336 CCCCOCCOCCCCCN 34a_100000762737_100000743108 [0,2,0,0,0,0|1,0,1]=4 18093 B13R0.336 CCCCOCCOCCCCCO 34a_100000210238_100000746330 [0,2,0,0,0,0|0,0,2]=4 18094 B13R0.336 CCCCOCCOCCCCCO 7a_100000210238_100000746330 [0,2,0,0,0,0|0,0,2]=4 18095 B13R0.336 CCCCOCCOCCCCOC 34a_100000210238_100000755781 [0,2,0,0,0,0|2,0,0]=4 18096 B13R0.336 CCCCOCCOCCCCOC 34a_100000740925_100000743108 [0,2,0,0,0,0|2,0,0]=4 18097 B13R0.336 CCCCOCCOCCCCOC 7a_100000210238_100000730899 [0,2,0,0,0,0|2,0,0]=4 18098 B13R0.336 CCCCOCCOCCCCSC 34a_100011217163_100000743108 [0,2,0,0,0,0|2,0,0]=4 18099 B13R0.336 CCCCOCCOCCCCSC 7a_100011217163_100000743108 [0,2,0,0,0,0|2,0,0]=4 18100 B13R0.336 CCCCOCCOCCOCC=O 34a_100011215186_200009817547 [0,2,0,0,0,0|1,0,0]=3 18101 B13R0.336 CCCCOCCOCCOCC=O 7a_100011215186_200015260668 [0,2,0,0,0,0|1,0,0]=3 18102 B13R0.336 CCCCOCCSCCCCC#N 62a_100000743108_100000211819 [0,2,0,0,0,0|1,0,1]=4 18103 B13R0.336 CCCCOCCSCCCCC#N 62a_100011219923_100000743108 [0,2,0,0,0,0|1,0,1]=4 18104 B13R0.336 CCCCOCCSCCCCC=O 62a_100000139335_100000743108 [0,2,0,0,0,0|0,0,0]=2 18105 B13R0.336 CCCCOCCSCCCCC=O 62a_100000743108_100000139335 [0,2,0,0,0,0|0,0,0]=2 18106 B13R0.336 CCCCOCCSCCCCCF 62a_100000729378_100000743108 [0,2,0,0,0,0|1,0,1]=4 18107 B13R0.336 CCCCOCCSCCCCCF 62a_100000743108_100000729378 [0,2,0,0,0,0|1,0,1]=4 18108 B13R0.336 CCCCOCCSCCCCCO 62a_100000743108_100000746330 [0,2,0,0,0,0|0,0,2]=4 18109 B13R0.336 CCCCOCCSCCCCCO 62a_100000746330_100000743108 [0,2,0,0,0,0|0,0,2]=4 18110 B13R0.336 CCCCOCCSCCCCOC 62a_100000730899_100000743108 [0,2,0,0,0,0|2,0,0]=4 18111 B13R0.336 CCCCOCCSCCCCOC 62a_100000743108_100000730899 [0,2,0,0,0,0|2,0,0]=4 18112 B13R0.336 CCCCOCNCCCCCCO 2230a_100000686447_100011995733 [0,2,0,0,0,0|0,0,2]=4 18113 B13R0.336 CCCCOCNCCCCCCO 34a_100000686447_100011995733 [0,2,0,0,0,0|0,0,2]=4 18114 B13R0.336 CCCCOCNCCCCCOC 2230a_100000747528_100011995733 [0,2,0,0,0,0|2,0,0]=4 18115 B13R0.336 CCCCOCNCCCCCOC 34a_100000747528_100011995733 [0,2,0,0,0,0|2,0,0]=4 18116 B13R0.336 CCCCOCOCCCCCCBr 34a_100011215345_100011995733 [0,2,0,0,0,0|1,0,1]=4 18117 B13R0.336 CCCCOCOCCCCCCCl 34a_100000766143_100011995733 [0,2,0,0,0,0|1,0,1]=4 18118 B13R0.336 CCCCOCOCCCCCCF 34a_100000732779_100011995733 [0,2,0,0,0,0|1,0,1]=4 18119 B13R0.336 CCCCOCOCCCCCCN 34a_100000686447_100011995733 [0,2,0,0,0,0|1,0,1]=4 18120 B13R0.336 CCCCOCOCCCCCNC 34a_100000722520_100011995733 [0,2,0,0,0,0|2,0,0]=4 18121 B13R0.336 CCCCOCSCCCCCC#N 62a_100009813376_100011995733 [0,2,0,0,0,0|1,0,1]=4 18122 B13R0.336 CCCCOCSCCCCCC#N 62a_100011995733_100009813376 [0,2,0,0,0,0|1,0,1]=4 18123 B13R0.336 CCCCOCSCCCCCC=O 62a_100000139337_100011995733 [0,2,0,0,0,0|0,0,0]=2 18124 B13R0.336 CCCCOCSCCCCCC=O 62a_100011995733_100000139337 [0,2,0,0,0,0|0,0,0]=2 18125 B13R0.336 CCCCOCSCCCCCCF 62a_100011995733_100015922095 [0,2,0,0,0,0|1,0,1]=4 18126 B13R0.336 CCCCOCSCCCCCCF 62a_100015922095_100011995733 [0,2,0,0,0,0|1,0,1]=4 18127 B13R0.336 CCCCOCSCCCCCCO 62a_100000766143_100011995733 [0,2,0,0,0,0|0,0,2]=4 18128 B13R0.336 CCCCOCSCCCCCCO 62a_100011995733_100000766143 [0,2,0,0,0,0|0,0,2]=4 18129 B13R0.336 CCCCSCCCCCCCCO 62a_100000033203_100000210210 [0,2,0,0,0,0|0,0,2]=4 18130 B13R0.336 CCCCSCCCCCCCCO 62a_100000210211_100000033203 [0,2,0,0,0,0|0,0,2]=4 18131 B13R0.336 CCCCSCCNCCCCC#N 2230a_100025743550_100000211819 [0,2,0,0,0,0|1,0,1]=4 18132 B13R0.336 CCCCSCCNCCCCC=O 2230a_100025743550_100000139335 [0,2,0,0,0,0|0,0,0]=2 18133 B13R0.336 CCCCSCCNCCCCCF 2230a_100025743550_100000729378 [0,2,0,0,0,0|1,0,1]=4 18134 B13R0.336 CCCCSCCNCCCCCO 2230a_100025743550_100000746330 [0,2,0,0,0,0|0,0,2]=4 18135 B13R0.336 CCCCSCCNCCCCOC 2230a_100025743550_100000730899 [0,2,0,0,0,0|2,0,0]=4 18136 B13R0.336 CCCCSCCOCCCCC#N 7a_200000230436_100000211819 [0,2,0,0,0,0|1,0,1]=4 18137 B13R0.336 CCCCSCCOCCCCC=O 7a_200000230436_100000139335 [0,2,0,0,0,0|0,0,0]=2 18138 B13R0.336 CCCCSCCOCCCCCF 34a_200000230436_100000729378 [0,2,0,0,0,0|1,0,1]=4 18139 B13R0.336 CCCCSCCOCCCCCF 7a_200000230436_100000729378 [0,2,0,0,0,0|1,0,1]=4 18140 B13R0.336 CCCCSCCOCCCCCO 34a_200000230436_100000746330 [0,2,0,0,0,0|0,0,2]=4 18141 B13R0.336 CCCCSCCOCCCCCO 7a_200000230436_100000746330 [0,2,0,0,0,0|0,0,2]=4 18142 B13R0.336 CCCCSCCOCCCCOC 34a_200000230436_100000755781 [0,2,0,0,0,0|2,0,0]=4 18143 B13R0.336 CCCCSCCOCCCCOC 7a_200000230436_100000730899 [0,2,0,0,0,0|2,0,0]=4 18144 B13R0.336 CCCNCCCCCCCCCO 2230a_100000078944_100000210303 [0,2,0,0,0,0|0,0,2]=4 18145 B13R0.336 CCCNCCCCCCCCCO 34a_100000078944_100000210303 [0,2,0,0,0,0|0,0,2]=4 18146 B13R0.336 CCCOCCCCCCCCCBr 34a_100009813782_100000210303 [0,2,0,0,0,0|1,0,1]=4 18147 B13R0.336 CCCOCCCCCCCCCBr 7a_100009813782_100000210303 [0,2,0,0,0,0|1,0,1]=4 18148 B13R0.336 CCCOCCCCCCCCCCl 34a_100009868337_100000210303 [0,2,0,0,0,0|1,0,1]=4 18149 B13R0.336 CCCOCCCCCCCCCCl 7a_100009868337_100000210303 [0,2,0,0,0,0|1,0,1]=4 18150 B13R0.336 CCCOCCCCCCCCCN 34a_100000078944_100000210303 [0,2,0,0,0,0|1,0,1]=4 18151 B13R0.336 CCCOCCCCCCCCCO 34a_100000210258_100009813782 [0,2,0,0,0,0|0,0,2]=4 18152 B13R0.336 CCCOCCCNCCCCC#N 2230a_100011217757_100000211819 [0,2,0,0,0,0|1,0,1]=4 18153 B13R0.336 CCCOCCCNCCCCC=O 2230a_100011217757_100000139335 [0,2,0,0,0,0|0,0,0]=2 18154 B13R0.336 CCCOCCCNCCCCCF 2230a_100011217757_100000729378 [0,2,0,0,0,0|1,0,1]=4 18155 B13R0.336 CCCOCCCNCCCCCF 34a_100011217757_100000729378 [0,2,0,0,0,0|1,0,1]=4 18156 B13R0.336 CCCOCCCNCCCCCO 2230a_100011217757_100000746330 [0,2,0,0,0,0|0,0,2]=4 18157 B13R0.336 CCCOCCCNCCCCCO 34a_100011217757_100000746330 [0,2,0,0,0,0|0,0,2]=4 18158 B13R0.336 CCCOCCCNCCCCOC 2230a_100011217757_100000730899 [0,2,0,0,0,0|2,0,0]=4 18159 B13R0.336 CCCOCCCNCCCCOC 34a_100011217757_100000755781 [0,2,0,0,0,0|2,0,0]=4 18160 B13R0.336 CCCOCCNCCCCCC#N 2230a_100161115042_100009813376 [0,2,0,0,0,0|1,0,1]=4 18161 B13R0.336 CCCOCCNCCCCCC=O 2230a_100161115042_100000139337 [0,2,0,0,0,0|0,0,0]=2 18162 B13R0.336 CCCOCCNCCCCCCF 2230a_100161115042_100015922095 [0,2,0,0,0,0|1,0,1]=4 18163 B13R0.336 CCCOCCNCCCCCCF 34a_100161115042_100015922095 [0,2,0,0,0,0|1,0,1]=4 18164 B13R0.336 CCCOCCNCCCCCCO 2230a_100000686447_100011215938 [0,2,0,0,0,0|0,0,2]=4 18165 B13R0.336 CCCOCCNCCCCCCO 2230a_100161115042_100000766143 [0,2,0,0,0,0|0,0,2]=4 18166 B13R0.336 CCCOCCNCCCCCCO 34a_100000686447_100011215938 [0,2,0,0,0,0|0,0,2]=4 18167 B13R0.336 CCCOCCNCCCCCCO 34a_100161115042_100000766143 [0,2,0,0,0,0|0,0,2]=4 18168 B13R0.336 CCCOCCNCCCCCOC 2230a_100000747528_100011215938 [0,2,0,0,0,0|2,0,0]=4 18169 B13R0.336 CCCOCCNCCCCCOC 34a_100000747528_100011215938 [0,2,0,0,0,0|2,0,0]=4 18170 B13R0.336 CCCOCCOCCCCCC#N 7a_100000752267_100009813376 [0,2,0,0,0,0|1,0,1]=4 18171 B13R0.336 CCCOCCOCCCCCC=O 7a_100000752267_100000139337 [0,2,0,0,0,0|0,0,0]=2 18172 B13R0.336 CCCOCCOCCCCCCBr 34a_100011215345_100011215938 [0,2,0,0,0,0|1,0,1]=4 18173 B13R0.336 CCCOCCOCCCCCCBr 7a_100011215345_100011215938 [0,2,0,0,0,0|1,0,1]=4 18174 B13R0.336 CCCOCCOCCCCCCCl 34a_100000766143_100011215938 [0,2,0,0,0,0|1,0,1]=4 18175 B13R0.336 CCCOCCOCCCCCCCl 7a_100000766143_100011215938 [0,2,0,0,0,0|1,0,1]=4 18176 B13R0.336 CCCOCCOCCCCCCF 34a_100000732779_100011215938 [0,2,0,0,0,0|1,0,1]=4 18177 B13R0.336 CCCOCCOCCCCCCF 34a_100000752267_100015922095 [0,2,0,0,0,0|1,0,1]=4 18178 B13R0.336 CCCOCCOCCCCCCF 7a_100000732779_100011215938 [0,2,0,0,0,0|1,0,1]=4 18179 B13R0.336 CCCOCCOCCCCCCF 7a_100000752267_100015922095 [0,2,0,0,0,0|1,0,1]=4 18180 B13R0.336 CCCOCCOCCCCCCN 34a_100000686447_100011215938 [0,2,0,0,0,0|1,0,1]=4 18181 B13R0.336 CCCOCCOCCCCCCO 34a_100000752267_100000766143 [0,2,0,0,0,0|0,0,2]=4 18182 B13R0.336 CCCOCCOCCCCCCO 7a_100000752267_100000766143 [0,2,0,0,0,0|0,0,2]=4 18183 B13R0.336 CCCOCCOCCCCCNC 34a_100000722520_100011215938 [0,2,0,0,0,0|2,0,0]=4 18184 B13R0.336 CCCOCCSCCCCCC#N 62a_100009813376_100011215938 [0,2,0,0,0,0|1,0,1]=4 18185 B13R0.336 CCCOCCSCCCCCC#N 62a_100011215938_100009813376 [0,2,0,0,0,0|1,0,1]=4 18186 B13R0.336 CCCOCCSCCCCCC=O 62a_100000139337_100011215938 [0,2,0,0,0,0|0,0,0]=2 18187 B13R0.336 CCCOCCSCCCCCC=O 62a_100011215938_100000139337 [0,2,0,0,0,0|0,0,0]=2 18188 B13R0.336 CCCOCCSCCCCCCF 62a_100011215938_100015922095 [0,2,0,0,0,0|1,0,1]=4 18189 B13R0.336 CCCOCCSCCCCCCF 62a_100015922095_100011215938 [0,2,0,0,0,0|1,0,1]=4 18190 B13R0.336 CCCOCCSCCCCCCO 62a_100000766143_100011215938 [0,2,0,0,0,0|0,0,2]=4 18191 B13R0.336 CCCOCCSCCCCCCO 62a_100011215938_100000766143 [0,2,0,0,0,0|0,0,2]=4 18192 B13R0.336 CCCSCCCCCCCCCO 62a_100000210303_100009813782 [0,2,0,0,0,0|0,0,2]=4 18193 B13R0.336 CCCSCCCCCCCCCO 62a_100009813782_100000210303 [0,2,0,0,0,0|0,0,2]=4 18194 B13R0.336 CCCSCCNCCCCCC#N 2230a_100020603323_100009813376 [0,2,0,0,0,0|1,0,1]=4 18195 B13R0.336 CCCSCCNCCCCCC=O 2230a_100020603323_100000139337 [0,2,0,0,0,0|0,0,0]=2 18196 B13R0.336 CCCSCCNCCCCCCF 2230a_100020603323_100015922095 [0,2,0,0,0,0|1,0,1]=4 18197 B13R0.336 CCCSCCNCCCCCCO 2230a_100020603323_100000766143 [0,2,0,0,0,0|0,0,2]=4 18198 B13R0.336 CCCSCCOCCCCCC#N 7a_200000230433_100009813376 [0,2,0,0,0,0|1,0,1]=4 18199 B13R0.336 CCCSCCOCCCCCC=O 7a_200000230433_100000139337 [0,2,0,0,0,0|0,0,0]=2 18200 B13R0.336 CCCSCCOCCCCCCF 34a_200000230433_100015922095 [0,2,0,0,0,0|1,0,1]=4 18201 B13R0.336 CCCSCCOCCCCCCF 7a_200000230433_100015922095 [0,2,0,0,0,0|1,0,1]=4 18202 B13R0.336 CCCSCCOCCCCCCO 34a_200000230433_100000766143 [0,2,0,0,0,0|0,0,2]=4 18203 B13R0.336 CCCSCCOCCCCCCO 7a_200000230433_100000766143 [0,2,0,0,0,0|0,0,2]=4 18204 B13R0.336 CCNCCCCCCCCCCO 2230a_100000066964_100000210202 [0,2,0,0,0,0|0,0,2]=4 18205 B13R0.336 CCNCCCCCCCCCCO 2230a_100015525214_100009813290 [0,2,0,0,0,0|0,0,2]=4 18206 B13R0.336 CCNCCCCCCCCCCO 34a_100000066964_100000210202 [0,2,0,0,0,0|0,0,2]=4 18207 B13R0.336 CCOCCCCCCCCCCBr 34a_100009813290_100000210202 [0,2,0,0,0,0|1,0,1]=4 18208 B13R0.336 CCOCCCCCCCCCCBr 7a_100009813290_100000210202 [0,2,0,0,0,0|1,0,1]=4 18209 B13R0.336 CCOCCCCCCCCCCCl 34a_200000033068_100000210202 [0,2,0,0,0,0|1,0,1]=4 18210 B13R0.336 CCOCCCCCCCCCCCl 7a_200000033068_100000210202 [0,2,0,0,0,0|1,0,1]=4 18211 B13R0.336 CCOCCCCCCCCCCN 34a_100000066964_100000210202 [0,2,0,0,0,0|1,0,1]=4 18212 B13R0.336 CCOCCCCCCCCCCO 34a_100121572206_100009813290 [0,2,0,0,0,0|0,0,2]=4 18213 B13R0.336 CCOCCCCCCCCCOC 34a_100009875440_200000210301 [0,2,0,0,0,0|0,0,2]=4 18214 B13R0.336 CCOCCCCCCCCCOC 7a_100009875440_200000210301 [0,2,0,0,0,0|0,0,2]=4 18215 B13R0.336 CCOCCCCCCCCCO[13CH3] 34a_100009875440_200025704644 [0,2,0,0,0,0|0,0,2]=4 18216 B13R0.336 CCOCCCCCCCCCO[13CH3] 7a_100009875440_200025704644 [0,2,0,0,0,0|0,0,2]=4 18217 B13R0.336 CCOCCCNCCCCCC#N 2230a_100000210961_100009813376 [0,2,0,0,0,0|1,0,1]=4 18218 B13R0.336 CCOCCCNCCCCCC=O 2230a_100000210961_100000139337 [0,2,0,0,0,0|0,0,0]=2 18219 B13R0.336 CCOCCCNCCCCCCF 2230a_100000210961_100015922095 [0,2,0,0,0,0|1,0,1]=4 18220 B13R0.336 CCOCCCNCCCCCCF 34a_100000210961_100015922095 [0,2,0,0,0,0|1,0,1]=4 18221 B13R0.336 CCOCCCNCCCCCCO 2230a_100000210961_100000766143 [0,2,0,0,0,0|0,0,2]=4 18222 B13R0.336 CCOCCCNCCCCCCO 2230a_100000686447_100012232248 [0,2,0,0,0,0|0,0,2]=4 18223 B13R0.336 CCOCCCNCCCCCCO 34a_100000210961_100000766143 [0,2,0,0,0,0|0,0,2]=4 18224 B13R0.336 CCOCCCNCCCCCCO 34a_100000686447_100012232248 [0,2,0,0,0,0|0,0,2]=4 18225 B13R0.336 CCOCCCNCCCCCOC 2230a_100000747528_100012232248 [0,2,0,0,0,0|2,0,0]=4 18226 B13R0.336 CCOCCCNCCCCCOC 34a_100000747528_100012232248 [0,2,0,0,0,0|2,0,0]=4 18227 B13R0.336 CCOCCCOCCCCCC#N 7a_100000757476_100009813376 [0,2,0,0,0,0|1,0,1]=4 18228 B13R0.336 CCOCCCOCCCCCC=O 7a_100000757476_100000139337 [0,2,0,0,0,0|0,0,0]=2 18229 B13R0.336 CCOCCCOCCCCCCBr 34a_100011215345_100012232248 [0,2,0,0,0,0|1,0,1]=4 18230 B13R0.336 CCOCCCOCCCCCCBr 7a_100011215345_100012232248 [0,2,0,0,0,0|1,0,1]=4 18231 B13R0.336 CCOCCCOCCCCCCCl 34a_100000766143_100012232248 [0,2,0,0,0,0|1,0,1]=4 18232 B13R0.336 CCOCCCOCCCCCCCl 7a_100000766143_100012232248 [0,2,0,0,0,0|1,0,1]=4 18233 B13R0.336 CCOCCCOCCCCCCF 34a_100000732779_100012232248 [0,2,0,0,0,0|1,0,1]=4 18234 B13R0.336 CCOCCCOCCCCCCF 34a_100000757476_100015922095 [0,2,0,0,0,0|1,0,1]=4 18235 B13R0.336 CCOCCCOCCCCCCF 7a_100000732779_100012232248 [0,2,0,0,0,0|1,0,1]=4 18236 B13R0.336 CCOCCCOCCCCCCF 7a_100000757476_100015922095 [0,2,0,0,0,0|1,0,1]=4 18237 B13R0.336 CCOCCCOCCCCCCN 34a_100000686447_100012232248 [0,2,0,0,0,0|1,0,1]=4 18238 B13R0.336 CCOCCCOCCCCCCO 34a_100000757476_100000766143 [0,2,0,0,0,0|0,0,2]=4 18239 B13R0.336 CCOCCCOCCCCCCO 7a_100000757476_100000766143 [0,2,0,0,0,0|0,0,2]=4 18240 B13R0.336 CCOCCCOCCCCCNC 34a_100000722520_100012232248 [0,2,0,0,0,0|2,0,0]=4 18241 B13R0.336 CCOCCCSCCCCCC#N 62a_100009813376_100012232248 [0,2,0,0,0,0|1,0,1]=4 18242 B13R0.336 CCOCCCSCCCCCC#N 62a_100012232248_100009813376 [0,2,0,0,0,0|1,0,1]=4 18243 B13R0.336 CCOCCCSCCCCCC=O 62a_100000139337_100012232248 [0,2,0,0,0,0|0,0,0]=2 18244 B13R0.336 CCOCCCSCCCCCC=O 62a_100012232248_100000139337 [0,2,0,0,0,0|0,0,0]=2 18245 B13R0.336 CCOCCCSCCCCCCF 62a_100012232248_100015922095 [0,2,0,0,0,0|1,0,1]=4 18246 B13R0.336 CCOCCCSCCCCCCF 62a_100015922095_100012232248 [0,2,0,0,0,0|1,0,1]=4 18247 B13R0.336 CCOCCCSCCCCCCO 62a_100000766143_100012232248 [0,2,0,0,0,0|0,0,2]=4 18248 B13R0.336 CCOCCCSCCCCCCO 62a_100012232248_100000766143 [0,2,0,0,0,0|0,0,2]=4 18249 B13R0.336 CCOCCNCCCCCCC#N 2230a_102516460346_100009813337 [0,2,0,0,0,0|1,0,1]=4 18250 B13R0.336 CCOCCNCCCCCCCO 2230a_100011996573_100011215890 [0,2,0,0,0,0|0,0,2]=4 18251 B13R0.336 CCOCCNCCCCCCCO 2230a_102516460346_100000760002 [0,2,0,0,0,0|0,0,2]=4 18252 B13R0.336 CCOCCNCCCCCCCO 34a_100011996573_100000210147 [0,2,0,0,0,0|0,0,2]=4 18253 B13R0.336 CCOCCNCCCCCCCO 34a_102516460346_100000760002 [0,2,0,0,0,0|0,0,2]=4 18254 B13R0.336 CCOCCNCCCCCCOC 2230a_102516460346_100011998445 [0,2,0,0,0,0|2,0,0]=4 18255 B13R0.336 CCOCCNCCCCCCOC 34a_102516460346_100011998445 [0,2,0,0,0,0|2,0,0]=4 18256 B13R0.336 CCOCCOCCCCCCC#N 7a_100000210136_100009813337 [0,2,0,0,0,0|1,0,1]=4 18257 B13R0.336 CCOCCOCCCCCCCBr 34a_100000760002_100000210147 [0,2,0,0,0,0|1,0,1]=4 18258 B13R0.336 CCOCCOCCCCCCCBr 7a_100000760002_100011215890 [0,2,0,0,0,0|1,0,1]=4 18259 B13R0.336 CCOCCOCCCCCCCN 34a_100011996573_100000210147 [0,2,0,0,0,0|1,0,1]=4 18260 B13R0.336 CCOCCOCCCCCCCO 34a_100000210136_100000760002 [0,2,0,0,0,0|0,0,2]=4 18261 B13R0.336 CCOCCOCCCCCCCO 7a_100000210136_100000760002 [0,2,0,0,0,0|0,0,2]=4 18262 B13R0.336 CCOCCOCCCCCCOC 34a_100000210136_100011998445 [0,2,0,0,0,0|2,0,0]=4 18263 B13R0.336 CCOCCOCCCCCCOC 34a_200012092642_100000210147 [0,2,0,0,0,0|2,0,0]=4 18264 B13R0.336 CCOCCOCCCCCCOC 7a_100000210136_100011998445 [0,2,0,0,0,0|2,0,0]=4 18265 B13R0.336 CCOCCOCCCCCCOC 7a_200012092642_100011215890 [0,2,0,0,0,0|2,0,0]=4 18266 B13R0.336 CCOCCOCCNCCCC=O 2230a_100102712874_200011292268 [0,2,0,0,0,0|1,0,0]=3 18267 B13R0.336 CCOCCOCCOCCCC=O 7a_100000210240_200011292268 [0,2,0,0,0,0|1,0,0]=3 18268 B13R0.336 CCOCCOCCSCCCC=O 62a_100011211534_200011292268 [0,2,0,0,0,0|1,0,0]=3 18269 B13R0.336 CCOCCOCCSCCCC=O 62a_200011292268_100011211534 [0,2,0,0,0,0|1,0,0]=3 18270 B13R0.336 CCOCCSCCCCCCC#N 62a_100000210147_100009813337 [0,2,0,0,0,0|1,0,1]=4 18271 B13R0.336 CCOCCSCCCCCCC#N 62a_100009813337_100011215890 [0,2,0,0,0,0|1,0,1]=4 18272 B13R0.336 CCOCCSCCCCCCCO 62a_100000210147_100000760002 [0,2,0,0,0,0|0,0,2]=4 18273 B13R0.336 CCOCCSCCCCCCCO 62a_100000760002_100011215890 [0,2,0,0,0,0|0,0,2]=4 18274 B13R0.336 CCOCCSCCCCCCOC 62a_100000210147_100011998445 [0,2,0,0,0,0|2,0,0]=4 18275 B13R0.336 CCOCCSCCCCCCOC 62a_100011998445_100011215890 [0,2,0,0,0,0|2,0,0]=4 18276 B13R0.336 CCOCSCCCCCCCCO 62a_100000033203_100000739092 [0,2,0,0,0,0|0,0,2]=4 18277 B13R0.336 CCOCSCCCCCCCCO 62a_100000739092_100000033203 [0,2,0,0,0,0|0,0,2]=4 18278 B13R0.336 CCSCCCCCCCCCCO 62a_100000210202_200000033068 [0,2,0,0,0,0|0,0,2]=4 18279 B13R0.336 CCSCCCCCCCCCCO 62a_100009813290_100000210202 [0,2,0,0,0,0|0,0,2]=4 18280 B13R0.336 CCSCCCOCCCCCC#N 7a_100011216438_100009813376 [0,2,0,0,0,0|1,0,1]=4 18281 B13R0.336 CCSCCCOCCCCCC=O 7a_100011216438_100000139337 [0,2,0,0,0,0|0,0,0]=2 18282 B13R0.336 CCSCCCOCCCCCCF 34a_100011216438_100015922095 [0,2,0,0,0,0|1,0,1]=4 18283 B13R0.336 CCSCCCOCCCCCCF 7a_100011216438_100015922095 [0,2,0,0,0,0|1,0,1]=4 18284 B13R0.336 CCSCCCOCCCCCCO 34a_100011216438_100000766143 [0,2,0,0,0,0|0,0,2]=4 18285 B13R0.336 CCSCCCOCCCCCCO 7a_100011216438_100000766143 [0,2,0,0,0,0|0,0,2]=4 18286 B13R0.336 CCSCCNCCCCCCC#N 2230a_100000106463_100009813337 [0,2,0,0,0,0|1,0,1]=4 18287 B13R0.336 CCSCCNCCCCCCCO 2230a_100000106463_100000760002 [0,2,0,0,0,0|0,0,2]=4 18288 B13R0.336 CCSCCNCCCCCCCO 2230a_100011996573_100000757381 [0,2,0,0,0,0|0,0,2]=4 18289 B13R0.336 CCSCCNCCCCCCCO 34a_100011996573_100000757381 [0,2,0,0,0,0|0,0,2]=4 18290 B13R0.336 CCSCCNCCCCCCOC 2230a_100000106463_100011998445 [0,2,0,0,0,0|2,0,0]=4 18291 B13R0.336 CCSCCOCCCCCCC#N 7a_100000212035_100009813337 [0,2,0,0,0,0|1,0,1]=4 18292 B13R0.336 CCSCCOCCCCCCCBr 34a_100000760002_100000757381 [0,2,0,0,0,0|1,0,1]=4 18293 B13R0.336 CCSCCOCCCCCCCBr 7a_100000760002_100000757381 [0,2,0,0,0,0|1,0,1]=4 18294 B13R0.336 CCSCCOCCCCCCCN 34a_100011996573_100000757381 [0,2,0,0,0,0|1,0,1]=4 18295 B13R0.336 CCSCCOCCCCCCCO 34a_100000212035_100000760002 [0,2,0,0,0,0|0,0,2]=4 18296 B13R0.336 CCSCCOCCCCCCCO 7a_100000212035_100000760002 [0,2,0,0,0,0|0,0,2]=4 18297 B13R0.336 CCSCCOCCCCCCOC 34a_100000212035_100011998445 [0,2,0,0,0,0|2,0,0]=4 18298 B13R0.336 CCSCCOCCCCCCOC 34a_200012092642_100000757381 [0,2,0,0,0,0|2,0,0]=4 18299 B13R0.336 CCSCCOCCCCCCOC 7a_100000212035_100011998445 [0,2,0,0,0,0|2,0,0]=4 18300 B13R0.336 CCSCCOCCCCCCOC 7a_200012092642_100000757381 [0,2,0,0,0,0|2,0,0]=4 18301 B13R0.336 CCSCCSCCCCCCC#N 62a_100000757381_100009813337 [0,2,0,0,0,0|1,0,1]=4 18302 B13R0.336 CCSCCSCCCCCCC#N 62a_100009813337_100000757381 [0,2,0,0,0,0|1,0,1]=4 18303 B13R0.336 CCSCCSCCCCCCCO 62a_100000757381_100000760002 [0,2,0,0,0,0|0,0,2]=4 18304 B13R0.336 CCSCCSCCCCCCCO 62a_100000760002_100000757381 [0,2,0,0,0,0|0,0,2]=4 18305 B13R0.336 CCSCCSCCCCCCOC 62a_100000757381_100011998445 [0,2,0,0,0,0|2,0,0]=4 18306 B13R0.336 CCSCCSCCCCCCOC 62a_100011998445_100000757381 [0,2,0,0,0,0|2,0,0]=4 18307 B13R0.336 CNCCCCCCCCCCCO 2230a_106832991635_100009812471 [0,2,0,0,0,0|0,0,2]=4 18308 B13R0.336 CNCCCCCCCCCCCO 34a_100102657272_100009812471 [0,2,0,0,0,0|0,0,2]=4 18309 B13R0.336 CNCCCCCCCCCCCO 7a_106832991635_100009812471 [0,2,0,0,0,0|0,0,2]=4 18310 B13R0.336 CNCCCCCOCCCCCF 34a_100000722520_100000729378 [0,2,0,0,0,0|1,0,1]=4 18311 B13R0.336 CNCCCCCOCCCCCO 34a_100000722520_100000746330 [0,2,0,0,0,0|0,0,2]=4 18312 B13R0.336 CNCCCCCOCCCCOC 34a_100000722520_100000755781 [0,2,0,0,0,0|2,0,0]=4 18313 B13R0.336 CNCCCOCCCCCCCO 34a_100000213112_100000760002 [0,2,0,0,0,0|0,0,2]=4 18314 B13R0.336 CNCCCOCCCCCCOC 34a_100000213112_100011998445 [0,2,0,0,0,0|2,0,0]=4 18315 B13R0.336 CNCCOCCOCCOCC=O 34a_200014138305_200009817547 [0,2,0,0,0,0|2,0,0]=4 18316 B13R0.336 COCCCCCCCCCCCBr 34a_100009812471_200000210301 [0,2,0,0,0,0|0,0,2]=4 18317 B13R0.336 COCCCCCCCCCCCBr 7a_100009812471_200000210301 [0,2,0,0,0,0|0,0,2]=4 18318 B13R0.336 COCCCCCCCCCCCO 34a_100138415774_100009812471 [0,2,0,0,0,0|0,0,2]=4 18319 B13R0.336 COCCCCCCNCCCCO 2230a_100000750430_100011998445 [0,2,0,0,0,0|0,0,2]=4 18320 B13R0.336 COCCCCCCNCCCCO 34a_100000750430_100011998445 [0,2,0,0,0,0|0,0,2]=4 18321 B13R0.336 COCCCCCCNCCCOC 34a_100150723488_100011998445 [0,2,0,0,0,0|2,0,0]=4 18322 B13R0.336 COCCCCCCNCCCSC 2230a_100000749238_100011998445 [0,2,0,0,0,0|2,0,0]=4 18323 B13R0.336 COCCCCCCOCCCC#N 7a_200012092642_100000687738 [0,2,0,0,0,0|1,0,1]=4 18324 B13R0.336 COCCCCCCOCCCC=O 7a_200012092642_200011292268 [0,2,0,0,0,0|0,0,0]=2 18325 B13R0.336 COCCCCCCOCCCCBr 34a_100011216708_100011998445 [0,2,0,0,0,0|1,0,1]=4 18326 B13R0.336 COCCCCCCOCCCCCl 34a_100000210776_100011998445 [0,2,0,0,0,0|1,0,1]=4 18327 B13R0.336 COCCCCCCOCCCCCl 7a_100000210776_100011998445 [0,2,0,0,0,0|1,0,1]=4 18328 B13R0.336 COCCCCCCOCCCCF 34a_100011995726_100011998445 [0,2,0,0,0,0|1,0,1]=4 18329 B13R0.336 COCCCCCCOCCCCF 34a_200012092642_100000729493 [0,2,0,0,0,0|1,0,1]=4 18330 B13R0.336 COCCCCCCOCCCCF 7a_100011995726_100011998445 [0,2,0,0,0,0|1,0,1]=4 18331 B13R0.336 COCCCCCCOCCCCF 7a_200012092642_100000729493 [0,2,0,0,0,0|1,0,1]=4 18332 B13R0.336 COCCCCCCOCCCCI 34a_200012148704_100011998445 [0,2,0,0,0,0|1,0,1]=4 18333 B13R0.336 COCCCCCCOCCCCN 34a_100000750430_100011998445 [0,2,0,0,0,0|1,0,1]=4 18334 B13R0.336 COCCCCCCOCCCCO 34a_200012092642_100011216708 [0,2,0,0,0,0|0,0,2]=4 18335 B13R0.336 COCCCCCCOCCCCO 7a_200012092642_100000210776 [0,2,0,0,0,0|0,0,2]=4 18336 B13R0.336 COCCCCCCOCCCOC 34a_100000740835_100011998445 [0,2,0,0,0,0|2,0,0]=4 18337 B13R0.336 COCCCCCCOCCCOC 34a_200012092642_100000740836 [0,2,0,0,0,0|2,0,0]=4 18338 B13R0.336 COCCCCCCOCCCOC 7a_200012092642_100000740836 [0,2,0,0,0,0|2,0,0]=4 18339 B13R0.336 COCCCCCCOCCCSC 34a_100000690336_100011998445 [0,2,0,0,0,0|2,0,0]=4 18340 B13R0.336 COCCCCCCOCCCSC 7a_100000690336_100011998445 [0,2,0,0,0,0|2,0,0]=4 18341 B13R0.336 COCCCCCCSCCCC#N 62a_100000687738_100011998445 [0,2,0,0,0,0|1,0,1]=4 18342 B13R0.336 COCCCCCCSCCCC#N 62a_100011998445_100000687738 [0,2,0,0,0,0|1,0,1]=4 18343 B13R0.336 COCCCCCCSCCCC=O 62a_100011998445_200011292268 [0,2,0,0,0,0|0,0,0]=2 18344 B13R0.336 COCCCCCCSCCCC=O 62a_200011292268_100011998445 [0,2,0,0,0,0|0,0,0]=2 18345 B13R0.336 COCCCCCCSCCCCF 62a_100000729493_100011998445 [0,2,0,0,0,0|1,0,1]=4 18346 B13R0.336 COCCCCCCSCCCCF 62a_100011998445_100000729493 [0,2,0,0,0,0|1,0,1]=4 18347 B13R0.336 COCCCCCCSCCCCO 62a_100000210776_100011998445 [0,2,0,0,0,0|0,0,2]=4 18348 B13R0.336 COCCCCCCSCCCCO 62a_100011998445_100000210776 [0,2,0,0,0,0|0,0,2]=4 18349 B13R0.336 COCCCCCCSCCCOC 62a_100000709357_100011998445 [0,2,0,0,0,0|2,0,0]=4 18350 B13R0.336 COCCCCCCSCCCOC 62a_100011998445_100000709357 [0,2,0,0,0,0|2,0,0]=4 18351 B13R0.336 COCCCCCNCCCCC#N 2230a_100000747528_100000211819 [0,2,0,0,0,0|1,0,1]=4 18352 B13R0.336 COCCCCCNCCCCC=O 2230a_100000747528_100000139335 [0,2,0,0,0,0|0,0,0]=2 18353 B13R0.336 COCCCCCNCCCCCF 2230a_100000747528_100000729378 [0,2,0,0,0,0|1,0,1]=4 18354 B13R0.336 COCCCCCNCCCCCF 34a_100000747528_100000729378 [0,2,0,0,0,0|1,0,1]=4 18355 B13R0.336 COCCCCCNCCCCCO 2230a_100000747528_100000746330 [0,2,0,0,0,0|0,0,2]=4 18356 B13R0.336 COCCCCCNCCCCCO 34a_100000747528_100000746330 [0,2,0,0,0,0|0,0,2]=4 18357 B13R0.336 COCCCCCNCCCCOC 2230a_100000747528_100000730899 [0,2,0,0,0,0|2,0,0]=4 18358 B13R0.336 COCCCCCNCCCCOC 34a_100000747528_100000755781 [0,2,0,0,0,0|2,0,0]=4 18359 B13R0.336 COCCCCNCCCCCCO 2230a_100000686447_100000730899 [0,2,0,0,0,0|0,0,2]=4 18360 B13R0.336 COCCCCNCCCCCCO 34a_100000686447_100000755781 [0,2,0,0,0,0|0,0,2]=4 18361 B13R0.336 COCCCCOCCCCCCBr 34a_100011215345_100000755781 [0,2,0,0,0,0|1,0,1]=4 18362 B13R0.336 COCCCCOCCCCCCBr 7a_100011215345_100000730899 [0,2,0,0,0,0|1,0,1]=4 18363 B13R0.336 COCCCCOCCCCCCCl 34a_100000766143_100000755781 [0,2,0,0,0,0|1,0,1]=4 18364 B13R0.336 COCCCCOCCCCCCCl 7a_100000766143_100000730899 [0,2,0,0,0,0|1,0,1]=4 18365 B13R0.336 COCCCCOCCCCCCF 34a_100000732779_100000755781 [0,2,0,0,0,0|1,0,1]=4 18366 B13R0.336 COCCCCOCCCCCCF 34a_100000740925_100015922095 [0,2,0,0,0,0|1,0,1]=4 18367 B13R0.336 COCCCCOCCCCCCF 7a_100000732779_100000730899 [0,2,0,0,0,0|1,0,1]=4 18368 B13R0.336 COCCCCOCCCCCCN 34a_100000686447_100000755781 [0,2,0,0,0,0|1,0,1]=4 18369 B13R0.336 COCCCCOCCCCCCO 34a_100000740925_100000766143 [0,2,0,0,0,0|0,0,2]=4 18370 B13R0.336 COCCCCSCCCCCC#N 62a_100000730899_100009813376 [0,2,0,0,0,0|1,0,1]=4 18371 B13R0.336 COCCCCSCCCCCC#N 62a_100009813376_100000730899 [0,2,0,0,0,0|1,0,1]=4 18372 B13R0.336 COCCCCSCCCCCC=O 62a_100000139337_100000730899 [0,2,0,0,0,0|0,0,0]=2 18373 B13R0.336 COCCCCSCCCCCC=O 62a_100000730899_100000139337 [0,2,0,0,0,0|0,0,0]=2 18374 B13R0.336 COCCCCSCCCCCCF 62a_100000730899_100015922095 [0,2,0,0,0,0|1,0,1]=4 18375 B13R0.336 COCCCCSCCCCCCF 62a_100015922095_100000730899 [0,2,0,0,0,0|1,0,1]=4 18376 B13R0.336 COCCCCSCCCCCCO 62a_100000730899_100000766143 [0,2,0,0,0,0|0,0,2]=4 18377 B13R0.336 COCCCCSCCCCCCO 62a_100000766143_100000730899 [0,2,0,0,0,0|0,0,2]=4 18378 B13R0.336 COCCCNCCCCCCCO 2230a_100011996573_100000740836 [0,2,0,0,0,0|0,0,2]=4 18379 B13R0.336 COCCCNCCCCCCCO 34a_100011996573_100000740836 [0,2,0,0,0,0|0,0,2]=4 18380 B13R0.336 COCCCNCCCCCCCO 34a_100150723488_100000760002 [0,2,0,0,0,0|0,0,2]=4 18381 B13R0.336 COCCCOCCCCCCCBr 34a_100000760002_100000740836 [0,2,0,0,0,0|1,0,1]=4 18382 B13R0.336 COCCCOCCCCCCCBr 7a_100000760002_100000740836 [0,2,0,0,0,0|1,0,1]=4 18383 B13R0.336 COCCCOCCCCCCCN 34a_100011996573_100000740836 [0,2,0,0,0,0|1,0,1]=4 18384 B13R0.336 COCCCOCCCCCCCO 34a_100000740835_100000760002 [0,2,0,0,0,0|0,0,2]=4 18385 B13R0.336 COCCCSCCCCCCC#N 62a_100000709357_100009813337 [0,2,0,0,0,0|1,0,1]=4 18386 B13R0.336 COCCCSCCCCCCC#N 62a_100009813337_100000709357 [0,2,0,0,0,0|1,0,1]=4 18387 B13R0.336 COCCCSCCCCCCCO 62a_100000709357_100000760002 [0,2,0,0,0,0|0,0,2]=4 18388 B13R0.336 COCCCSCCCCCCCO 62a_100000760002_100000709357 [0,2,0,0,0,0|0,0,2]=4 18389 B13R0.336 COCCNCCCCCCCCO 2230a_100000209980_100000033203 [0,2,0,0,0,0|0,0,2]=4 18390 B13R0.336 COCCNCCCCCCCCO 2230a_102515433106_100011201679 [0,2,0,0,0,0|0,0,2]=4 18391 B13R0.336 COCCNCCCCCCCCO 34a_102515433106_100011201679 [0,2,0,0,0,0|0,0,2]=4 18392 B13R0.336 COCCOCCCCCCCCBr 34a_100009813846_100011201679 [0,2,0,0,0,0|1,0,1]=4 18393 B13R0.336 COCCOCCCCCCCCBr 7a_100009813846_100000233755 [0,2,0,0,0,0|1,0,1]=4 18394 B13R0.336 COCCOCCCCCCCCCl 34a_100000033203_100011201679 [0,2,0,0,0,0|1,0,1]=4 18395 B13R0.336 COCCOCCCCCCCCCl 7a_100000033203_100000233755 [0,2,0,0,0,0|1,0,1]=4 18396 B13R0.336 COCCOCCCCCCCCN 34a_102515433106_100011201679 [0,2,0,0,0,0|1,0,1]=4 18397 B13R0.336 COCCOCCCCCCCCO 34a_100000210237_100000033203 [0,2,0,0,0,0|0,0,2]=4 18398 B13R0.336 COCCOCCCNCCCC=O 2230a_100000206027_200011292268 [0,2,0,0,0,0|1,0,0]=3 18399 B13R0.336 COCCOCCCSCCCC=O 62a_100011216529_200011292268 [0,2,0,0,0,0|1,0,0]=3 18400 B13R0.336 COCCOCCCSCCCC=O 62a_200011292268_100011216529 [0,2,0,0,0,0|1,0,0]=3 18401 B13R0.336 COCCOCCNCCCCC=O 2230a_100000745349_100000139335 [0,2,0,0,0,0|1,0,0]=3 18402 B13R0.336 COCCOCCOCCCCC=O 7a_100011215163_100000139335 [0,2,0,0,0,0|1,0,0]=3 18403 B13R0.336 COCCOCCOCCNCC=O 2230a_100012028300_200015260668 [0,2,0,0,0,0|2,0,0]=4 18404 B13R0.336 COCCOCCOCCNCC=O 34a_100012028300_200009817547 [0,2,0,0,0,0|2,0,0]=4 18405 B13R0.336 COCCOCCOCCOCC=O 34a_100000688194_200009817547 [0,2,0,0,0,0|2,0,0]=4 18406 B13R0.336 COCCOCCOCCOCC=O 7a_100000688194_200015260668 [0,2,0,0,0,0|2,0,0]=4 18407 B13R0.336 COCCOCCOCCSCC=O 62a_100013367474_200015260668 [0,2,0,0,0,0|2,0,0]=4 18408 B13R0.336 COCCOCCOCCSCC=O 62a_200015260668_100013367474 [0,2,0,0,0,0|2,0,0]=4 18409 B13R0.336 COCCOCCSCCCCC=O 62a_100000139335_100000695917 [0,2,0,0,0,0|1,0,0]=3 18410 B13R0.336 COCCOCCSCCCCC=O 62a_100000695917_100000139335 [0,2,0,0,0,0|1,0,0]=3 18411 B13R0.336 COCCOCSCCCCCC=O 62a_100000139337_100000231047 [0,2,0,0,0,0|1,0,0]=3 18412 B13R0.336 COCCOCSCCCCCC=O 62a_100000231047_100000139337 [0,2,0,0,0,0|1,0,0]=3 18413 B13R0.336 COCCSCCCCCCCCO 62a_100000033203_100000233755 [0,2,0,0,0,0|0,0,2]=4 18414 B13R0.336 COCCSCCCCCCCCO 62a_100000233755_100000033203 [0,2,0,0,0,0|0,0,2]=4 18415 B13R0.336 COCNCCCCCCCCCO 2230a_100000078944_100000766300 [0,2,0,0,0,0|0,0,2]=4 18416 B13R0.336 COCSCCCCCCCCCO 62a_100000766300_100009813782 [0,2,0,0,0,0|0,0,2]=4 18417 B13R0.336 COCSCCCCCCCCCO 62a_100009813782_100000766300 [0,2,0,0,0,0|0,0,2]=4 18418 B13R0.336 CSCCCCCCCCCCCO 62a_100009812471_200000210301 [0,2,0,0,0,0|0,0,2]=4 18419 B13R0.336 CSCCCCOCCCCCC#N 7a_100011217163_100009813376 [0,2,0,0,0,0|1,0,1]=4 18420 B13R0.336 CSCCCCOCCCCCC=O 7a_100011217163_100000139337 [0,2,0,0,0,0|0,0,0]=2 18421 B13R0.336 CSCCCCOCCCCCCF 34a_100011217163_100015922095 [0,2,0,0,0,0|1,0,1]=4 18422 B13R0.336 CSCCCCOCCCCCCF 7a_100011217163_100015922095 [0,2,0,0,0,0|1,0,1]=4 18423 B13R0.336 CSCCCCOCCCCCCO 34a_100011217163_100000766143 [0,2,0,0,0,0|0,0,2]=4 18424 B13R0.336 CSCCCCOCCCCCCO 7a_100011217163_100000766143 [0,2,0,0,0,0|0,0,2]=4 18425 B13R0.336 CSCCCNCCCCCCC#N 2230a_100000749238_100009813337 [0,2,0,0,0,0|1,0,1]=4 18426 B13R0.336 CSCCCNCCCCCCCO 2230a_100000749238_100000760002 [0,2,0,0,0,0|0,0,2]=4 18427 B13R0.336 CSCCCOCCCCCCC#N 7a_100000690336_100009813337 [0,2,0,0,0,0|1,0,1]=4 18428 B13R0.336 CSCCCOCCCCCCCO 34a_100000690336_100000760002 [0,2,0,0,0,0|0,0,2]=4 18429 B13R0.336 CSCCCOCCCCCCCO 7a_100000690336_100000760002 [0,2,0,0,0,0|0,0,2]=4 18430 B13R0.336 CSCCNCCCCCCCCO 2230a_100020590264_100000033203 [0,2,0,0,0,0|0,0,2]=4 18431 B13R0.336 CSCCNCCCCCCCCO 2230a_102515433106_100000751147 [0,2,0,0,0,0|0,0,2]=4 18432 B13R0.336 CSCCNCCCCCCCCO 34a_102515433106_100000212216 [0,2,0,0,0,0|0,0,2]=4 18433 B13R0.336 CSCCOCCCCCCCCBr 34a_100009813846_100000212216 [0,2,0,0,0,0|1,0,1]=4 18434 B13R0.336 CSCCOCCCCCCCCBr 7a_100009813846_100000212216 [0,2,0,0,0,0|1,0,1]=4 18435 B13R0.336 CSCCOCCCCCCCCCl 34a_100000033203_100000212216 [0,2,0,0,0,0|1,0,1]=4 18436 B13R0.336 CSCCOCCCCCCCCCl 7a_100000033203_100000212216 [0,2,0,0,0,0|1,0,1]=4 18437 B13R0.336 CSCCOCCCCCCCCN 34a_102515433106_100000212216 [0,2,0,0,0,0|1,0,1]=4 18438 B13R0.336 CSCCOCCCCCCCCO 34a_100000230434_100000033203 [0,2,0,0,0,0|0,0,2]=4 18439 B13R0.336 CSCCOCCCCCCCCO 7a_100000230434_100000033203 [0,2,0,0,0,0|0,0,2]=4 18440 B13R0.336 CSCCSCCCCCCCCO 62a_100000033203_100000751147 [0,2,0,0,0,0|0,0,2]=4 18441 B13R0.336 CSCCSCCCCCCCCO 62a_100000212216_100000033203 [0,2,0,0,0,0|0,0,2]=4 18442 B13R0.336 CSCNCCCCCCCCCO 2230a_100000078944_100011218213 [0,2,0,0,0,0|0,0,2]=4 18443 B13R0.336 CSCNCCCCCCCCCO 34a_100000078944_100011218213 [0,2,0,0,0,0|0,0,2]=4 18444 B13R0.336 CSCOCCCCCCCCCBr 34a_100009813782_100011218213 [0,2,0,0,0,0|1,0,1]=4 18445 B13R0.336 CSCOCCCCCCCCCCl 34a_100009868337_100011218213 [0,2,0,0,0,0|1,0,1]=4 18446 B13R0.336 CSCOCCCCCCCCCN 34a_100000078944_100011218213 [0,2,0,0,0,0|1,0,1]=4 18447 B13R0.336 CSCSCCCCCCCCCO 62a_100009813782_100011218213 [0,2,0,0,0,0|0,0,2]=4 18448 B13R0.336 CSCSCCCCCCCCCO 62a_100011218213_100009813782 [0,2,0,0,0,0|0,0,2]=4 18449 B13R0.336 FCCCCCCOCCCCCBr 34a_100000746331_100015922095 [0,2,0,0,0,0|1,0,1]=4 18450 B13R0.336 FCCCCCCOCCCCCBr 7a_100000746331_100015922095 [0,2,0,0,0,0|1,0,1]=4 18451 B13R0.336 FCCCCCCOCCCCCCl 34a_100000746330_100015922095 [0,2,0,0,0,0|1,0,1]=4 18452 B13R0.336 FCCCCCCOCCCCCCl 7a_100000746330_100015922095 [0,2,0,0,0,0|1,0,1]=4 18453 B13R0.336 FCCCCCCOCCCCCF 34a_100000732779_100000729378 [0,2,0,0,0,0|1,0,1]=4 18454 B13R0.336 FCCCCCCOCCCCCF 7a_100000732779_100000729378 [0,2,0,0,0,0|1,0,1]=4 18455 B13R0.336 FCCCCCCOCCCCCI 34a_200012148887_100015922095 [0,2,0,0,0,0|1,0,1]=4 18456 B13R0.336 FCCCCCCOCCCCCI 7a_200012148887_100015922095 [0,2,0,0,0,0|1,0,1]=4 18457 B13R0.336 FCCCCCCSCCCCCF 62a_100000729378_100015922095 [0,2,0,0,0,0|1,0,1]=4 18458 B13R0.336 FCCCCCCSCCCCCF 62a_100015922095_100000729378 [0,2,0,0,0,0|1,0,1]=4 18459 B13R0.336 FCCCCCOCCCCCCBr 34a_100011215345_100000729378 [0,2,0,0,0,0|1,0,1]=4 18460 B13R0.336 FCCCCCOCCCCCCBr 7a_100011215345_100000729378 [0,2,0,0,0,0|1,0,1]=4 18461 B13R0.336 FCCCCCOCCCCCCCl 34a_100000766143_100000729378 [0,2,0,0,0,0|1,0,1]=4 18462 B13R0.336 FCCCCCOCCCCCCCl 7a_100000766143_100000729378 [0,2,0,0,0,0|1,0,1]=4 18463 B13R0.336 FCCCCOCCCCCCCBr 34a_100000760002_100000729493 [0,2,0,0,0,0|1,0,1]=4 18464 B13R0.336 FCCCCOCCCCCCCBr 7a_100000760002_100000729493 [0,2,0,0,0,0|1,0,1]=4 18465 B13R0.336 FCCCOCCCCCCCCBr 34a_100009813846_100011934791 [0,2,0,0,0,0|1,0,1]=4 18466 B13R0.336 FCCCOCCCCCCCCBr 7a_100009813846_100011934791 [0,2,0,0,0,0|1,0,1]=4 18467 B13R0.336 FCCCOCCCCCCCCCl 34a_100000033203_100011934791 [0,2,0,0,0,0|1,0,1]=4 18468 B13R0.336 FCCCOCCCCCCCCCl 7a_100000033203_100011934791 [0,2,0,0,0,0|1,0,1]=4 18469 B13R0.336 FCCOCCCCCCCCCBr 34a_100009813782_100011217306 [0,2,0,0,0,0|1,0,1]=4 18470 B13R0.336 FCCOCCCCCCCCCBr 7a_100009813782_100011217306 [0,2,0,0,0,0|1,0,1]=4 18471 B13R0.336 FCCOCCCCCCCCCCl 34a_100009868337_100011217306 [0,2,0,0,0,0|1,0,1]=4 18472 B13R0.336 FCCOCCCCCCCCCCl 7a_100009868337_100011217306 [0,2,0,0,0,0|1,0,1]=4 18473 B13R0.336 FCOCCCCCCCCCCBr 34a_100009813290_100015361967 [0,2,0,0,0,0|1,0,1]=4 18474 B13R0.336 FCOCCCCCCCCCCBr 7a_100009813290_100015361967 [0,2,0,0,0,0|1,0,1]=4 18475 B13R0.336 FCOCCCCCCCCCCCl 34a_200000033068_100015361967 [0,2,0,0,0,0|1,0,1]=4 18476 B13R0.336 FCOCCCCCCCCCCCl 7a_200000033068_100015361967 [0,2,0,0,0,0|1,0,1]=4 18477 B13R0.336 N#CCCCCCCNCCCCO 2230a_100000750430_100009813337 [0,2,0,0,0,0|1,0,1]=4 18478 B13R0.336 N#CCCCCCCOCCCCCl 7a_100000210776_100009813337 [0,2,0,0,0,0|1,0,1]=4 18479 B13R0.336 N#CCCCCCCOCCCCF 7a_100011995726_100009813337 [0,2,0,0,0,0|1,0,1]=4 18480 B13R0.336 N#CCCCCCCSCCCC=O 62a_100009813337_200011292268 [0,2,0,0,0,0|0,0,1]=3 18481 B13R0.336 N#CCCCCCCSCCCC=O 62a_200011292268_100009813337 [0,2,0,0,0,0|0,0,1]=3 18482 B13R0.336 N#CCCCCCCSCCCCF 62a_100000729493_100009813337 [0,2,0,0,0,0|1,0,1]=4 18483 B13R0.336 N#CCCCCCCSCCCCF 62a_100009813337_100000729493 [0,2,0,0,0,0|1,0,1]=4 18484 B13R0.336 N#CCCCCCCSCCCCO 62a_100000210776_100009813337 [0,2,0,0,0,0|1,0,1]=4 18485 B13R0.336 N#CCCCCCCSCCCCO 62a_100009813337_100000210776 [0,2,0,0,0,0|1,0,1]=4 18486 B13R0.336 N#CCCCCCNCCCCCO 2230a_100000762737_100009813376 [0,2,0,0,0,0|1,0,1]=4 18487 B13R0.336 N#CCCCCCOCCCCCBr 7a_100000746331_100009813376 [0,2,0,0,0,0|1,0,1]=4 18488 B13R0.336 N#CCCCCCOCCCCCCl 7a_100000746330_100009813376 [0,2,0,0,0,0|1,0,1]=4 18489 B13R0.336 N#CCCCCCOCCCCCI 7a_200012148887_100009813376 [0,2,0,0,0,0|1,0,1]=4 18490 B13R0.336 N#CCCCCCSCCCCC=O 62a_100000139335_100009813376 [0,2,0,0,0,0|0,0,1]=3 18491 B13R0.336 N#CCCCCCSCCCCC=O 62a_100009813376_100000139335 [0,2,0,0,0,0|0,0,1]=3 18492 B13R0.336 N#CCCCCCSCCCCCF 62a_100000729378_100009813376 [0,2,0,0,0,0|1,0,1]=4 18493 B13R0.336 N#CCCCCCSCCCCCF 62a_100009813376_100000729378 [0,2,0,0,0,0|1,0,1]=4 18494 B13R0.336 N#CCCCCCSCCCCCO 62a_100000746330_100009813376 [0,2,0,0,0,0|1,0,1]=4 18495 B13R0.336 N#CCCCCCSCCCCCO 62a_100009813376_100000746330 [0,2,0,0,0,0|1,0,1]=4 18496 B13R0.336 N#CCCCCNCCCCCCO 2230a_100000686447_100000211819 [0,2,0,0,0,0|1,0,1]=4 18497 B13R0.336 N#CCCCCOCCCCCCBr 7a_100011215345_100000211819 [0,2,0,0,0,0|1,0,1]=4 18498 B13R0.336 N#CCCCCOCCCCCCCl 7a_100000766143_100000211819 [0,2,0,0,0,0|1,0,1]=4 18499 B13R0.336 N#CCCCCOCCCCCCF 7a_100000732779_100000211819 [0,2,0,0,0,0|1,0,1]=4 18500 B13R0.336 N#CCCCCSCCCCCC=O 62a_100000139337_100000211819 [0,2,0,0,0,0|0,0,1]=3 18501 B13R0.336 N#CCCCCSCCCCCC=O 62a_100011219923_100000139337 [0,2,0,0,0,0|0,0,1]=3 18502 B13R0.336 N#CCCCCSCCCCCCF 62a_100011219923_100015922095 [0,2,0,0,0,0|1,0,1]=4 18503 B13R0.336 N#CCCCCSCCCCCCF 62a_100015922095_100000211819 [0,2,0,0,0,0|1,0,1]=4 18504 B13R0.336 N#CCCCCSCCCCCCO 62a_100000766143_100000211819 [0,2,0,0,0,0|1,0,1]=4 18505 B13R0.336 N#CCCCCSCCCCCCO 62a_100011219923_100000766143 [0,2,0,0,0,0|1,0,1]=4 18506 B13R0.336 N#CCCCNCCCCCCCO 2230a_100011996573_100000687738 [0,2,0,0,0,0|1,0,1]=4 18507 B13R0.336 N#CCCCOCCCCCCCBr 7a_100000760002_100000687738 [0,2,0,0,0,0|1,0,1]=4 18508 B13R0.336 N#CCCCSCCCCCCCO 62a_100000687738_100000760002 [0,2,0,0,0,0|1,0,1]=4 18509 B13R0.336 N#CCCCSCCCCCCCO 62a_100000760002_100000687738 [0,2,0,0,0,0|1,0,1]=4 18510 B13R0.336 N#CCCNCCCCCCCCO 2230a_102515433106_100011215226 [0,2,0,0,0,0|1,0,1]=4 18511 B13R0.336 N#CCCOCCCCCCCCBr 7a_100009813846_100000184422 [0,2,0,0,0,0|1,0,1]=4 18512 B13R0.336 N#CCCOCCCCCCCCCl 7a_100000033203_100000184422 [0,2,0,0,0,0|1,0,1]=4 18513 B13R0.336 N#CCCSCCCCCCCCO 62a_100000033203_100011215226 [0,2,0,0,0,0|1,0,1]=4 18514 B13R0.336 N#CCCSCCCCCCCCO 62a_100011215226_100000033203 [0,2,0,0,0,0|1,0,1]=4 18515 B13R0.336 N#CCNCCCCCCCCCO 2230a_100000078944_100011215382 [0,2,0,0,0,0|1,0,1]=4 18516 B13R0.336 N#CCOCCCCCCCCCBr 7a_100009813782_100011215382 [0,2,0,0,0,0|1,0,1]=4 18517 B13R0.336 N#CCOCCCCCCCCCCl 7a_100009868337_100011215382 [0,2,0,0,0,0|1,0,1]=4 18518 B13R0.336 N#CCOCCSCCCCCC=O 62a_100000139337_200000047693 [0,2,0,0,0,0|1,0,1]=4 18519 B13R0.336 N#CCOCCSCCCCCC=O 62a_200000047693_100000139337 [0,2,0,0,0,0|1,0,1]=4 18520 B13R0.336 N#CCSCCCCCCCCCO 62a_100009813782_100011215382 [0,2,0,0,0,0|1,0,1]=4 18521 B13R0.336 N#CCSCCCCCCCCCO 62a_100011215382_100009813782 [0,2,0,0,0,0|1,0,1]=4 18522 B13R0.336 NCCCCCCCCCCOCF 34a_100000066964_100015361967 [0,2,0,0,0,0|1,0,1]=4 18523 B13R0.336 NCCCCCCCCCOCC=O 34a_100000078944_200009817547 [0,2,0,0,0,0|0,0,0]=2 18524 B13R0.336 NCCCCCCCCCOCCF 34a_100000078944_100011217306 [0,2,0,0,0,0|1,0,1]=4 18525 B13R0.336 NCCCCCCCCCOCCO 34a_100000078944_100000211926 [0,2,0,0,0,0|0,0,2]=4 18526 B13R0.336 NCCCCCCCCOCCCF 34a_102515433106_100011934791 [0,2,0,0,0,0|1,0,1]=4 18527 B13R0.336 NCCCCCCCCOCCCO 34a_102515433106_100000230001 [0,2,0,0,0,0|0,0,2]=4 18528 B13R0.336 NCCCCCCCOCCCCF 34a_100011996573_100000729493 [0,2,0,0,0,0|1,0,1]=4 18529 B13R0.336 NCCCCCCCOCCCCO 34a_100011996573_100011216708 [0,2,0,0,0,0|0,0,2]=4 18530 B13R0.336 NCCCCCCOCCCCCF 34a_100000686447_100000729378 [0,2,0,0,0,0|1,0,1]=4 18531 B13R0.336 NCCCCCCOCCCCCO 34a_100000686447_100000746330 [0,2,0,0,0,0|0,0,2]=4 18532 B13R0.336 NCCCCCOCCCCCCF 34a_100000762737_100015922095 [0,2,0,0,0,0|1,0,1]=4 18533 B13R0.336 NCCCCCOCCCCCCO 34a_100000762737_100000766143 [0,2,0,0,0,0|0,0,2]=4 18534 B13R0.336 NCCCCOCCCCCCCO 34a_100000750430_100000760002 [0,2,0,0,0,0|0,0,2]=4 18535 B13R0.336 NCCCOCCCCCCCCO 34a_100000182051_100000033203 [0,2,0,0,0,0|0,0,2]=4 18536 B13R0.336 NCCCOCCOCCOCC=O 34a_100011996194_200009817547 [0,2,0,0,0,0|2,0,0]=4 18537 B13R0.336 NCCOCCCCCCCCCO 34a_100000210304_100009813782 [0,2,0,0,0,0|0,0,2]=4 18538 B13R0.336 NOCCOCCCCCCCCO 34a_100000700252_100000033203 [0,2,0,0,0,0|2,0,0]=4 18539 B13R0.336 O=CCCCCCNCCCCCO 2230a_100000762737_100000139337 [0,2,0,0,0,0|0,0,0]=2 18540 B13R0.336 O=CCCCCCNCCOCCO 2230a_100000211614_100000139337 [0,2,0,0,0,0|1,0,0]=3 18541 B13R0.336 O=CCCCCCNCCSCCO 2230a_100011219999_100000139337 [0,2,0,0,0,0|1,0,0]=3 18542 B13R0.336 O=CCCCCCOCCCCCBr 7a_100000746331_100000139337 [0,2,0,0,0,0|0,0,0]=2 18543 B13R0.336 O=CCCCCCOCCCCCCl 7a_100000746330_100000139337 [0,2,0,0,0,0|0,0,0]=2 18544 B13R0.336 O=CCCCCCOCCCCCI 7a_200012148887_100000139337 [0,2,0,0,0,0|0,0,0]=2 18545 B13R0.336 O=CCCCCCOCCOCCBr 7a_100000692535_100000139337 [0,2,0,0,0,0|1,0,0]=3 18546 B13R0.336 O=CCCCCCOCCOCCCl 7a_100011215305_100000139337 [0,2,0,0,0,0|1,0,0]=3 18547 B13R0.336 O=CCCCCCOCCOCCF 7a_200015357709_100000139337 [0,2,0,0,0,0|1,0,0]=3 18548 B13R0.336 O=CCCCCCOCCOCCI 7a_100012149058_100000139337 [0,2,0,0,0,0|1,0,0]=3 18549 B13R0.336 O=CCCCCCSCCCCC=O 62a_100000139335_100000139337 [0,2,0,0,0,0|0,0,1]=3 18550 B13R0.336 O=CCCCCCSCCCCC=O 62a_100000139337_100000139335 [0,2,0,0,0,0|0,0,1]=3 18551 B13R0.336 O=CCCCCCSCCCCCF 62a_100000139337_100000729378 [0,2,0,0,0,0|0,0,0]=2 18552 B13R0.336 O=CCCCCCSCCCCCF 62a_100000729378_100000139337 [0,2,0,0,0,0|0,0,0]=2 18553 B13R0.336 O=CCCCCCSCCCCCO 62a_100000139337_100000746330 [0,2,0,0,0,0|0,0,0]=2 18554 B13R0.336 O=CCCCCCSCCCCCO 62a_100000746330_100000139337 [0,2,0,0,0,0|0,0,0]=2 18555 B13R0.336 O=CCCCCCSCCOCCO 62a_100000139337_100011215305 [0,2,0,0,0,0|1,0,0]=3 18556 B13R0.336 O=CCCCCCSCCOCCO 62a_100011215305_100000139337 [0,2,0,0,0,0|1,0,0]=3 18557 B13R0.336 O=CCCCCNCCCCCCO 2230a_100000686447_100000139335 [0,2,0,0,0,0|0,0,0]=2 18558 B13R0.336 O=CCCCCOCCCCCCBr 7a_100011215345_100000139335 [0,2,0,0,0,0|0,0,0]=2 18559 B13R0.336 O=CCCCCOCCCCCCCl 7a_100000766143_100000139335 [0,2,0,0,0,0|0,0,0]=2 18560 B13R0.336 O=CCCCCOCCCCCCF 7a_100000732779_100000139335 [0,2,0,0,0,0|0,0,0]=2 18561 B13R0.336 O=CCCCCSCCCCCCF 62a_100000139335_100015922095 [0,2,0,0,0,0|0,0,0]=2 18562 B13R0.336 O=CCCCCSCCCCCCF 62a_100015922095_100000139335 [0,2,0,0,0,0|0,0,0]=2 18563 B13R0.336 O=CCCCCSCCCCCCO 62a_100000139335_100000766143 [0,2,0,0,0,0|0,0,0]=2 18564 B13R0.336 O=CCCCCSCCCCCCO 62a_100000766143_100000139335 [0,2,0,0,0,0|0,0,0]=2 18565 B13R0.336 O=CCCCNCCCCCCCO 2230a_100011996573_200011292268 [0,2,0,0,0,0|0,0,0]=2 18566 B13R0.336 O=CCCCNCCCOCCCO 2230a_100011310245_200011292268 [0,2,0,0,0,0|1,0,0]=3 18567 B13R0.336 O=CCCCOCCCCCCCBr 7a_100000760002_200011292268 [0,2,0,0,0,0|0,0,0]=2 18568 B13R0.336 O=CCCCSCCCCCCCO 62a_100000760002_200011292268 [0,2,0,0,0,0|0,0,0]=2 18569 B13R0.336 O=CCCCSCCCCCCCO 62a_200011292268_100000760002 [0,2,0,0,0,0|0,0,0]=2 18570 B13R0.336 O=CCNCCCCCCCCCO 2230a_100000078944_200015260668 [0,2,0,0,0,0|0,0,0]=2 18571 B13R0.336 O=CCNCCCCCCCCCO 34a_100000078944_200009817547 [0,2,0,0,0,0|0,0,0]=2 18572 B13R0.336 O=CCNCCCOCCOCCO 2230a_100011996194_200015260668 [0,2,0,0,0,0|2,0,0]=4 18573 B13R0.336 O=CCNCCCOCCOCCO 34a_100011996194_200009817547 [0,2,0,0,0,0|2,0,0]=4 18574 B13R0.336 O=CCOCCCCCCCCCBr 34a_100009813782_200009817547 [0,2,0,0,0,0|0,0,0]=2 18575 B13R0.336 O=CCOCCCCCCCCCBr 7a_100009813782_200015260668 [0,2,0,0,0,0|0,0,0]=2 18576 B13R0.336 O=CCOCCCCCCCCCCl 34a_100009868337_200009817547 [0,2,0,0,0,0|0,0,0]=2 18577 B13R0.336 O=CCOCCCCCCCCCCl 7a_100009868337_200015260668 [0,2,0,0,0,0|0,0,0]=2 18578 B13R0.336 O=CCSCCCCCCCCCO 62a_100009813782_200015260668 [0,2,0,0,0,0|0,0,0]=2 18579 B13R0.336 O=CCSCCCCCCCCCO 62a_200015260668_100009813782 [0,2,0,0,0,0|0,0,0]=2 18580 B13R0.336 OCCCCCCCCCCNCF 34a_100000066964_100015361967 [0,2,0,0,0,0|0,0,2]=4 18581 B13R0.336 OCCCCCCCCCCSCF 62a_100009813290_100015361967 [0,2,0,0,0,0|0,0,2]=4 18582 B13R0.336 OCCCCCCCCCCSCF 62a_100015361967_200000033068 [0,2,0,0,0,0|0,0,2]=4 18583 B13R0.336 OCCCCCCCCCNCCF 2230a_100000078944_100011217306 [0,2,0,0,0,0|0,0,2]=4 18584 B13R0.336 OCCCCCCCCCNCCF 34a_100000078944_100011217306 [0,2,0,0,0,0|0,0,2]=4 18585 B13R0.336 OCCCCCCCCCNCCF 34a_100000724931_100009813782 [0,2,0,0,0,0|0,0,2]=4 18586 B13R0.336 OCCCCCCCCCNCCO 2230a_100000078944_100000211926 [0,2,0,0,0,0|0,0,2]=4 18587 B13R0.336 OCCCCCCCCCNCCO 2230a_100016997473_100009813782 [0,2,0,0,0,0|0,0,2]=4 18588 B13R0.336 OCCCCCCCCCNCCO 34a_100000078944_100000211926 [0,2,0,0,0,0|0,0,2]=4 18589 B13R0.336 OCCCCCCCCCNCCO 34a_100016990907_100009813782 [0,2,0,0,0,0|0,0,2]=4 18590 B13R0.336 OCCCCCCCCCOCCBr 34a_100000211926_100009813782 [0,2,0,0,0,0|0,0,2]=4 18591 B13R0.336 OCCCCCCCCCSCCF 62a_100009813782_100011217306 [0,2,0,0,0,0|0,0,2]=4 18592 B13R0.336 OCCCCCCCCCSCCF 62a_100011217306_100009813782 [0,2,0,0,0,0|0,0,2]=4 18593 B13R0.336 OCCCCCCCCCSCCO 62a_100000211926_100009813782 [0,2,0,0,0,0|0,0,2]=4 18594 B13R0.336 OCCCCCCCCCSCCO 62a_100009813782_100000211926 [0,2,0,0,0,0|0,0,2]=4 18595 B13R0.336 OCCCCCCCCNCCCF 2230a_100015189416_100000033203 [0,2,0,0,0,0|0,0,2]=4 18596 B13R0.336 OCCCCCCCCNCCCF 2230a_102515433106_100011934791 [0,2,0,0,0,0|0,0,2]=4 18597 B13R0.336 OCCCCCCCCNCCCF 34a_100015189416_100000033203 [0,2,0,0,0,0|0,0,2]=4 18598 B13R0.336 OCCCCCCCCNCCCF 34a_102515433106_100011934791 [0,2,0,0,0,0|0,0,2]=4 18599 B13R0.336 OCCCCCCCCNCCCO 2230a_102515433106_100000230001 [0,2,0,0,0,0|0,0,2]=4 18600 B13R0.336 OCCCCCCCCNCCCO 34a_102515433106_100000230001 [0,2,0,0,0,0|0,0,2]=4 18601 B13R0.336 OCCCCCCCCOCCCBr 34a_100011217188_100000033203 [0,2,0,0,0,0|0,0,2]=4 18602 B13R0.336 OCCCCCCCCOCCCCl 34a_100000230001_100000033203 [0,2,0,0,0,0|0,0,2]=4 18603 B13R0.336 OCCCCCCCCOCCCF 34a_100000759539_100000033203 [0,2,0,0,0,0|0,0,2]=4 18604 B13R0.336 OCCCCCCCCSCCCF 62a_100000033203_100011934791 [0,2,0,0,0,0|0,0,2]=4 18605 B13R0.336 OCCCCCCCCSCCCF 62a_100011934791_100000033203 [0,2,0,0,0,0|0,0,2]=4 18606 B13R0.336 OCCCCCCCCSCCCO 62a_100000033203_100011215043 [0,2,0,0,0,0|0,0,2]=4 18607 B13R0.336 OCCCCCCCCSCCCO 62a_100011215043_100000033203 [0,2,0,0,0,0|0,0,2]=4 18608 B13R0.336 OCCCCCCCNCCCCF 2230a_100011996573_100000729493 [0,2,0,0,0,0|0,0,2]=4 18609 B13R0.336 OCCCCCCCNCCCCF 34a_100011996573_100000729493 [0,2,0,0,0,0|0,0,2]=4 18610 B13R0.336 OCCCCCCCNCCCCO 2230a_100000750430_100000760002 [0,2,0,0,0,0|0,0,2]=4 18611 B13R0.336 OCCCCCCCNCCCCO 2230a_100011996573_100000210776 [0,2,0,0,0,0|0,0,2]=4 18612 B13R0.336 OCCCCCCCNCCCCO 34a_100000750430_100000760002 [0,2,0,0,0,0|0,0,2]=4 18613 B13R0.336 OCCCCCCCNCCCCO 34a_100011996573_100011216708 [0,2,0,0,0,0|0,0,2]=4 18614 B13R0.336 OCCCCCCCOCCCCBr 34a_100011216708_100000760002 [0,2,0,0,0,0|0,0,2]=4 18615 B13R0.336 OCCCCCCCOCCCCCl 34a_100000210776_100000760002 [0,2,0,0,0,0|0,0,2]=4 18616 B13R0.336 OCCCCCCCOCCCCCl 7a_100000210776_100000760002 [0,2,0,0,0,0|0,0,2]=4 18617 B13R0.336 OCCCCCCCOCCCCF 34a_100011995726_100000760002 [0,2,0,0,0,0|0,0,2]=4 18618 B13R0.336 OCCCCCCCOCCCCF 7a_100011995726_100000760002 [0,2,0,0,0,0|0,0,2]=4 18619 B13R0.336 OCCCCCCCOCCCCI 34a_200012148704_100000760002 [0,2,0,0,0,0|0,0,2]=4 18620 B13R0.336 OCCCCCCCSCCCCF 62a_100000729493_100000760002 [0,2,0,0,0,0|0,0,2]=4 18621 B13R0.336 OCCCCCCCSCCCCF 62a_100000760002_100000729493 [0,2,0,0,0,0|0,0,2]=4 18622 B13R0.336 OCCCCCCCSCCCCO 62a_100000210776_100000760002 [0,2,0,0,0,0|0,0,2]=4 18623 B13R0.336 OCCCCCCCSCCCCO 62a_100000760002_100000210776 [0,2,0,0,0,0|0,0,2]=4 18624 B13R0.336 OCCCCCCNCCCCCF 2230a_100000686447_100000729378 [0,2,0,0,0,0|0,0,2]=4 18625 B13R0.336 OCCCCCCNCCCCCF 34a_100000686447_100000729378 [0,2,0,0,0,0|0,0,2]=4 18626 B13R0.336 OCCCCCCNCCCCCO 2230a_100000686447_100000746330 [0,2,0,0,0,0|0,0,2]=4 18627 B13R0.336 OCCCCCCNCCCCCO 2230a_100000762737_100000766143 [0,2,0,0,0,0|0,0,2]=4 18628 B13R0.336 OCCCCCCNCCCCCO 34a_100000686447_100000746330 [0,2,0,0,0,0|0,0,2]=4 18629 B13R0.336 OCCCCCCNCCCCCO 34a_100000762737_100000766143 [0,2,0,0,0,0|0,0,2]=4 18630 B13R0.336 OCCCCCCOCCCCCBr 34a_100000746331_100000766143 [0,2,0,0,0,0|0,0,2]=4 18631 B13R0.336 OCCCCCCOCCCCCBr 7a_100000746331_100000766143 [0,2,0,0,0,0|0,0,2]=4 18632 B13R0.336 OCCCCCCOCCCCCCl 34a_100000746330_100000766143 [0,2,0,0,0,0|0,0,2]=4 18633 B13R0.336 OCCCCCCOCCCCCCl 7a_100000746330_100000766143 [0,2,0,0,0,0|0,0,2]=4 18634 B13R0.336 OCCCCCCOCCCCCI 34a_200012148887_100000766143 [0,2,0,0,0,0|0,0,2]=4 18635 B13R0.336 OCCCCCCOCCCCCI 7a_200012148887_100000766143 [0,2,0,0,0,0|0,0,2]=4 18636 B13R0.336 OCCCCCCSCCCCCF 62a_100000729378_100000766143 [0,2,0,0,0,0|0,0,2]=4 18637 B13R0.336 OCCCCCCSCCCCCF 62a_100000766143_100000729378 [0,2,0,0,0,0|0,0,2]=4 18638 B13R0.336 OCCCCCCSCCCCCO 62a_100000746330_100000766143 [0,2,0,0,0,0|0,0,2]=4 18639 B13R0.336 OCCCCCCSCCCCCO 62a_100000766143_100000746330 [0,2,0,0,0,0|0,0,2]=4 18640 B13R0.336 OCCCCCNCCCCCCF 2230a_100000762737_100015922095 [0,2,0,0,0,0|0,0,2]=4 18641 B13R0.336 OCCCCCNCCCCCCF 34a_100000762737_100015922095 [0,2,0,0,0,0|0,0,2]=4 18642 B13R0.336 OCCCCCOCCCCCCBr 34a_100011215345_100000746330 [0,2,0,0,0,0|0,0,2]=4 18643 B13R0.336 OCCCCCOCCCCCCBr 7a_100011215345_100000746330 [0,2,0,0,0,0|0,0,2]=4 18644 B13R0.336 OCCCCCOCCCCCCCl 34a_100000766143_100000746330 [0,2,0,0,0,0|0,0,2]=4 18645 B13R0.336 OCCCCCOCCCCCCCl 7a_100000766143_100000746330 [0,2,0,0,0,0|0,0,2]=4 18646 B13R0.336 OCCCCCOCCCCCCF 34a_100000732779_100000746330 [0,2,0,0,0,0|0,0,2]=4 18647 B13R0.336 OCCCCCOCCCCCCF 7a_100000732779_100000746330 [0,2,0,0,0,0|0,0,2]=4 18648 B13R0.336 OCCCCCSCCCCCCF 62a_100000746330_100015922095 [0,2,0,0,0,0|0,0,2]=4 18649 B13R0.336 OCCCCCSCCCCCCF 62a_100015922095_100000746330 [0,2,0,0,0,0|0,0,2]=4 18650 B13R0.336 OCCCCOCCCCCCCBr 34a_100000760002_100011216708 [0,2,0,0,0,0|0,0,2]=4 18651 B13R0.336 OCCCCOCCCCCCCBr 7a_100000760002_100000210776 [0,2,0,0,0,0|0,0,2]=4 18652 B13R0.336 OCCCOCCCCCCCCBr 34a_100009813846_100000230001 [0,2,0,0,0,0|0,0,2]=4 18653 B13R0.336 OCCCOCCCCCCCCBr 7a_100009813846_100011215043 [0,2,0,0,0,0|0,0,2]=4 18654 B13R0.336 OCCCOCCCCCCCCCl 34a_100000033203_100000230001 [0,2,0,0,0,0|0,0,2]=4 18655 B13R0.336 OCCCOCCCCCCCCCl 7a_100000033203_100011215043 [0,2,0,0,0,0|0,0,2]=4 18656 B13R0.336 OCCOCCCCCCCCCBr 34a_100009813782_100000211926 [0,2,0,0,0,0|0,0,2]=4 18657 B13R0.336 OCCOCCCCCCCCCBr 7a_100009813782_100000211926 [0,2,0,0,0,0|0,0,2]=4 18658 B13R0.336 OCCOCCCCCCCCCCl 34a_100009868337_100000211926 [0,2,0,0,0,0|0,0,2]=4 18659 B13R0.336 OCCOCCCCCCCCCCl 7a_100009868337_100000211926 [0,2,0,0,0,0|0,0,2]=4 18660 B13R0.336 [13CH3]OCCCCCCCCCCCBr 34a_100009812471_200025704644 [0,2,0,0,0,0|0,0,2]=4 18661 B13R0.336 [13CH3]OCCCCCCCCCCCBr 7a_100009812471_200025704644 [0,2,0,0,0,0|0,0,2]=4 18662 B13R0.336 [13CH3]SCCCCCCCCCCCO 62a_100009812471_200025704644 [0,2,0,0,0,0|0,0,2]=4 18663 B13R0.336 [N-]=[N+]=NCCCCNCCCCC=O 2230a_100000101370_100000139335 [0,2,0,0,0,0|2,0,0]=4 18664 B13R0.336 [N-]=[N+]=NCCCNCCCCCC=O 2230a_100000744732_100000139337 [0,2,0,0,0,0|2,0,0]=4 18665 B13R0.338 C#CCCCC(=O)CCCCCCC 1458a_100000211969_100000731252 [0,2,0,0,0,0|1,0,1]=4 18666 B13R0.338 C#CCCCC(=O)CCCCCCC 1458a_100000690238_100000210614 [0,2,0,0,0,0|1,0,1]=4 18667 B13R0.338 C#CCCCCCC(=O)CCCCC 1458a_100000212188_100012094781 [0,2,0,0,0,0|1,0,1]=4 18668 B13R0.338 C#CCCCCCC(=O)CCCCC 1458a_100000694772_100000210326 [0,2,0,0,0,0|1,0,1]=4 18669 B13R0.338 C#CCCCCCN(C)CCCCC 2230a_100000223495_100012094781 [0,2,0,0,0,0|1,0,1]=4 18670 B13R0.338 C#CCCCCCN(C)CCCCC 269982a_100000223495_100012094781 [0,2,0,0,0,0|1,0,1]=4 18671 B13R0.338 C#CCCCCNC(C)CCCCC 2230a_100000211957_100010269958 [0,2,0,0,0,0|1,0,1]=4 18672 B13R0.338 C#CCCCCNC(C)CCCCC 2230a_100000706060_200011218191 [0,2,0,0,0,0|1,0,1]=4 18673 B13R0.338 C#CCCCCNC(C)CCCCC 34a_100000706060_200011218191 [0,2,0,0,0,0|1,0,1]=4 18674 B13R0.338 C#CCCCCOC(C)CCCCC 34a_100000766709_200011218191 [0,2,0,0,0,0|1,0,1]=4 18675 B13R0.338 C#CCCCCOC(C)CCCCC 34a_100011215632_100010269958 [0,2,0,0,0,0|1,0,1]=4 18676 B13R0.338 C#CCCCCOC(C)CCCCC 7a_100000766709_200011218191 [0,2,0,0,0,0|1,0,1]=4 18677 B13R0.338 C#CCCCCOC(C)CCCCC 7a_100011215632_100010269958 [0,2,0,0,0,0|1,0,1]=4 18678 B13R0.338 C#CCCCCSC(C)CCCCC 62a_100010269958_200011218191 [0,2,0,0,0,0|1,0,1]=4 18679 B13R0.338 C#CCCCCSC(C)CCCCC 62a_200011218191_100010269958 [0,2,0,0,0,0|1,0,1]=4 18680 B13R0.338 C#CCCCN(C)CCCCCCC 2230a_100000228206_100000731252 [0,2,0,0,0,0|1,0,1]=4 18681 B13R0.338 C#CCCCN(C)CCCCCCC 269982a_100000228206_100011215417 [0,2,0,0,0,0|1,0,1]=4 18682 B13R0.338 C#CCCNC(C)CCCCCCC 34a_100000755551_200011218727 [0,2,0,0,0,0|1,0,1]=4 18683 B13R0.338 C#CCCOC(C)CCCCCCC 34a_100011215631_200011218727 [0,2,0,0,0,0|1,0,1]=4 18684 B13R0.338 C#CCCOC(C)CCCCCCC 34a_200011215852_100000688953 [0,2,0,0,0,0|1,0,1]=4 18685 B13R0.338 C#CCCOC(C)CCCCCCC 7a_200011215852_100000688953 [0,2,0,0,0,0|1,0,1]=4 18686 B13R0.338 C#CCCSC(C)CCCCCCC 62a_100000688953_200011218727 [0,2,0,0,0,0|1,0,1]=4 18687 B13R0.338 C#CCCSC(C)CCCCCCC 62a_200011218727_100000688953 [0,2,0,0,0,0|1,0,1]=4 18688 B13R0.338 C/C=C/COC(C)CCCCCCC 34a_100016270725_200011218727 [0,2,0,0,0,0|1,0,1]=4 18689 B13R0.338 C/C=C/COC(C)CCCCCCC 34a_200011215852_100102629194 [0,2,0,0,0,0|1,0,1]=4 18690 B13R0.338 C/C=C/COC(C)CCCCCCC 7a_200011215852_100102629194 [0,2,0,0,0,0|1,0,1]=4 18691 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000211969_100000757094 [0,2,0,0,0,0|1,0,0]=3 18692 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000766728_100000210614 [0,2,0,0,0,0|1,0,0]=3 18693 B13R0.338 C=CCCCC(=O)CCCCCCF 1458a_100000766728_100015922095 [0,2,0,0,0,0|1,0,1]=4 18694 B13R0.338 C=CCCCC(=O)CCCCCCO 1458a_100000766728_100000766143 [0,2,0,0,0,0|1,0,1]=4 18695 B13R0.338 C=CCCCC(=O)CCCCCCO 1458a_100011996774_100000757094 [0,2,0,0,0,0|1,0,1]=4 18696 B13R0.338 C=CCCCC(=O)CCCCCOC 1458a_100011935119_100000757094 [0,2,0,0,0,0|1,0,1]=4 18697 B13R0.338 C=CCCCC(=O)CCOCCCC 1458a_100000766728_100000743108 [0,2,0,0,0,0|1,0,1]=4 18698 B13R0.338 C=CCCCC(=O)NCCCCCC 11a_100000210581_100000766728 [0,2,0,0,0,0|1,0,1]=4 18699 B13R0.338 C=CCCCC(=O)NCCCCCC 1626a_100000210581_100000766728 [0,2,0,0,0,0|1,0,1]=4 18700 B13R0.338 C=CCCCC(=O)NCCCCCC 240690a_100000210581_100000766728 [0,2,0,0,0,0|1,0,1]=4 18701 B13R0.338 C=CCCCC(=O)NCCCCCC 527a_100000210581_100000766728 [0,2,0,0,0,0|1,0,1]=4 18702 B13R0.338 C=CCCCCCC(=O)CCCCC 1458a_100000212188_100000700193 [0,2,0,0,0,0|1,0,0]=3 18703 B13R0.338 C=CCCCCCC(=O)CCCCC 1458a_100011934241_100000210326 [0,2,0,0,0,0|1,0,0]=3 18704 B13R0.338 C=CCCCCCC(=O)CCCCF 1458a_100011934241_100000729493 [0,2,0,0,0,0|1,0,1]=4 18705 B13R0.338 C=CCCCCCC(=O)CCCCO 1458a_100000695505_100000700193 [0,2,0,0,0,0|1,0,1]=4 18706 B13R0.338 C=CCCCCCC(=O)CCCCO 1458a_100011934241_100000210776 [0,2,0,0,0,0|1,0,1]=4 18707 B13R0.338 C=CCCCCCC(=O)CCCOC 1458a_100000741012_100000700193 [0,2,0,0,0,0|1,0,1]=4 18708 B13R0.338 C=CCCCCCC(=O)CCCOC 1458a_100011934241_100000740836 [0,2,0,0,0,0|1,0,1]=4 18709 B13R0.338 C=CCCCCCC(=O)CCCSC 1458a_100000173376_100000700193 [0,2,0,0,0,0|1,0,1]=4 18710 B13R0.338 C=CCCCCCC(=O)CCOCC 1458a_100000749530_100000700193 [0,2,0,0,0,0|1,0,1]=4 18711 B13R0.338 C=CCCCCCC(=O)CCOCC 1458a_100011934241_100011215890 [0,2,0,0,0,0|1,0,1]=4 18712 B13R0.338 C=CCCCCCC(=O)CCSCC 1458a_100000230768_100000700193 [0,2,0,0,0,0|1,0,1]=4 18713 B13R0.338 C=CCCCCCC(=O)CCSCC 1458a_100011934241_100000757381 [0,2,0,0,0,0|1,0,1]=4 18714 B13R0.338 C=CCCCCCC(=O)COCCC 1458a_100000745993_100000700193 [0,2,0,0,0,0|1,0,1]=4 18715 B13R0.338 C=CCCCCCC(=O)CSCCC 1458a_100000217233_100000700193 [0,2,0,0,0,0|1,0,1]=4 18716 B13R0.338 C=CCCCCCC(=O)NCCCC 11a_100000102301_100011934241 [0,2,0,0,0,0|1,0,1]=4 18717 B13R0.338 C=CCCCCCC(=O)NCCCC 1626a_100000102301_100011934241 [0,2,0,0,0,0|1,0,1]=4 18718 B13R0.338 C=CCCCCCC(=O)NCCCC 240690a_100000102301_100011934241 [0,2,0,0,0,0|1,0,1]=4 18719 B13R0.338 C=CCCCCCC(=O)NCCCC 527a_100000102301_100011934241 [0,2,0,0,0,0|1,0,1]=4 18720 B13R0.338 C=CCCCCCN(C)CCCCC 2230a_100000223495_100000700193 [0,2,0,0,0,0|1,0,0]=3 18721 B13R0.338 C=CCCCCCN(C)CCCCC 269982a_100000223495_100000700193 [0,2,0,0,0,0|1,0,0]=3 18722 B13R0.338 C=CCCCCCN(C)CCCCO 2230a_100000717598_100000700193 [0,2,0,0,0,0|2,0,0]=4 18723 B13R0.338 C=CCCCCCN(C)CCCCO 269982a_100000717598_100000700193 [0,2,0,0,0,0|2,0,0]=4 18724 B13R0.338 C=CCCCCCN(C)CCCOC 2230a_100000224831_100000700193 [0,2,0,0,0,0|2,0,0]=4 18725 B13R0.338 C=CCCCCCN(C)CCCOC 269982a_100000224831_100000700193 [0,2,0,0,0,0|2,0,0]=4 18726 B13R0.338 C=CCCCCNC(=O)CCCCC 11a_100000703577_100000212188 [0,2,0,0,0,0|1,0,1]=4 18727 B13R0.338 C=CCCCCNC(=O)CCCCC 1626a_100000703577_100000212188 [0,2,0,0,0,0|1,0,1]=4 18728 B13R0.338 C=CCCCCNC(=O)CCCCC 240690a_100000703577_100000212188 [0,2,0,0,0,0|1,0,1]=4 18729 B13R0.338 C=CCCCCNC(=O)CCCCC 527a_100000703577_100000212188 [0,2,0,0,0,0|1,0,1]=4 18730 B13R0.338 C=CCCCCNC(C)CCCCC 2230a_100000211957_100011215482 [0,2,0,0,0,0|1,0,0]=3 18731 B13R0.338 C=CCCCCNC(C)CCCCC 2230a_100000703577_200011218191 [0,2,0,0,0,0|1,0,0]=3 18732 B13R0.338 C=CCCCCNC(C)CCCCC 270004a_100000703577_100000211708 [0,2,0,0,0,0|1,0,0]=3 18733 B13R0.338 C=CCCCCNC(C)CCCCC 34a_100000703577_200011218191 [0,2,0,0,0,0|1,0,0]=3 18734 B13R0.338 C=CCCCCNC(C)CCCSC 270004a_100000703577_100011399439 [0,2,0,0,0,0|2,0,0]=4 18735 B13R0.338 C=CCCCCNC(C)CCOCC 270004a_100000703577_200011216536 [0,2,0,0,0,0|2,0,0]=4 18736 B13R0.338 C=CCCCCNC(C)CSCCC 270004a_100000703577_100011343953 [0,2,0,0,0,0|2,0,0]=4 18737 B13R0.338 C=CCCCCOC(C)CCCCC 34a_100000766645_200011218191 [0,2,0,0,0,0|1,0,0]=3 18738 B13R0.338 C=CCCCCOC(C)CCCCC 34a_100011215632_100011215482 [0,2,0,0,0,0|1,0,0]=3 18739 B13R0.338 C=CCCCCOC(C)CCCCC 7a_100000766645_200011218191 [0,2,0,0,0,0|1,0,0]=3 18740 B13R0.338 C=CCCCCOC(C)CCCCC 7a_100011215632_100011215482 [0,2,0,0,0,0|1,0,0]=3 18741 B13R0.338 C=CCCCCOC(C)CCCOC 34a_200011539412_100011215482 [0,2,0,0,0,0|2,0,0]=4 18742 B13R0.338 C=CCCCCOC(C)CCCOC 7a_200011539412_100011215482 [0,2,0,0,0,0|2,0,0]=4 18743 B13R0.338 C=CCCCN(C)CCCCCCC 2230a_100000228206_100011713584 [0,2,0,0,0,0|1,0,0]=3 18744 B13R0.338 C=CCCCN(C)CCCCCCC 269982a_100000228206_100000757094 [0,2,0,0,0,0|1,0,0]=3 18745 B13R0.338 C=CCCCNCC(=O)CCCCC 2230a_100000700776_200012276598 [0,2,0,0,0,0|1,0,1]=4 18746 B13R0.338 C=CCCCNCC(=O)CCCCC 34a_100000700776_200012276598 [0,2,0,0,0,0|1,0,1]=4 18747 B13R0.338 C=CCCCOCC(=O)CCCCC 34a_100000758997_200012276598 [0,2,0,0,0,0|1,0,1]=4 18748 B13R0.338 C=CCCCOCC(=O)CCCCC 7a_100000758997_200012276598 [0,2,0,0,0,0|1,0,1]=4 18749 B13R0.338 C=CCCCOC[C@@H](N)CCCCN 34a_100016993712_100000757094 [0,2,0,0,0,0|2,0,0]=4 18750 B13R0.338 C=CCCCSCC(=O)CCCCC 62a_100011713584_200012276598 [0,2,0,0,0,0|1,0,1]=4 18751 B13R0.338 C=CCCCSCC(=O)CCCCC 62a_200012276598_100000757094 [0,2,0,0,0,0|1,0,1]=4 18752 B13R0.338 C=CCCNC(=O)CCCCCCC 11a_100015191253_100000211969 [0,2,0,0,0,0|1,0,1]=4 18753 B13R0.338 C=CCCNC(=O)CCCCCCC 1626a_100015191253_100000211969 [0,2,0,0,0,0|1,0,1]=4 18754 B13R0.338 C=CCCNC(=O)CCCCCCC 240690a_100015191253_100000211969 [0,2,0,0,0,0|1,0,1]=4 18755 B13R0.338 C=CCCNC(=O)CCCCCCC 527a_100015191253_100000211969 [0,2,0,0,0,0|1,0,1]=4 18756 B13R0.338 C=CCCNC(C)CCCCCCC 2230a_100015191253_200011218727 [0,2,0,0,0,0|1,0,0]=3 18757 B13R0.338 C=CCCNC(C)CCCCCCC 270004a_100015191253_100000210596 [0,2,0,0,0,0|1,0,0]=3 18758 B13R0.338 C=CCCOC(C)CCCCCCC 34a_100011205117_200011218727 [0,2,0,0,0,0|1,0,0]=3 18759 B13R0.338 C=CCCOC(C)CCCCCCC 34a_200011215852_100000754431 [0,2,0,0,0,0|1,0,0]=3 18760 B13R0.338 C=CCCOC(C)CCCCCCC 7a_200011215852_100000754431 [0,2,0,0,0,0|1,0,0]=3 18761 B13R0.338 C=CCOCCOC(C)CCCCC 34a_100000037705_200011218191 [0,2,0,0,0,0|2,0,0]=4 18762 B13R0.338 C=CCOCCOC(C)CCCCC 7a_100000037705_200011218191 [0,2,0,0,0,0|2,0,0]=4 18763 B13R0.338 C=CCSCC(=O)CCCCCCC 1458a_100000230395_100000210614 [0,2,0,0,0,0|1,0,1]=4 18764 B13R0.338 C=COCCC(=O)CCCCCCC 1458a_100000211969_100000039644 [0,2,0,0,0,0|1,0,1]=4 18765 B13R0.338 C=COCCCNC(C)CCCCC 2230a_100000210767_200011218191 [0,2,0,0,0,0|2,0,0]=4 18766 B13R0.338 C=COCCCNC(C)CCCCC 270004a_100000210767_100000211708 [0,2,0,0,0,0|2,0,0]=4 18767 B13R0.338 C=COCCCNC(C)CCCCC 34a_100000210767_200011218191 [0,2,0,0,0,0|2,0,0]=4 18768 B13R0.338 C=COCCN(C)CCCCCCC 2230a_100000228206_100000039644 [0,2,0,0,0,0|2,0,0]=4 18769 B13R0.338 C=COCCN(C)CCCCCCC 269982a_100000228206_100000039644 [0,2,0,0,0,0|2,0,0]=4 18770 B13R0.338 CC=CCCCOC(C)CCCCC 34a_100020645299_200011218191 [0,2,0,0,0,0|1,0,1]=4 18771 B13R0.338 CC=CCOC(C)CCCCCCC 34a_200011215852_100000070051 [0,2,0,0,0,0|1,0,1]=4 18772 B13R0.338 CC=CCOC(C)CCCCCCC 7a_200011215852_100000070051 [0,2,0,0,0,0|1,0,1]=4 18773 B13R0.338 CCC#CCC(C)OCCCCC=O 7a_200000035118_100000139335 [0,2,0,0,0,0|0,0,2]=4 18774 B13R0.338 CCCCCC(=O)CCCCCC#N 1458a_100000212188_100009813376 [0,2,0,0,0,0|1,0,1]=4 18775 B13R0.338 CCCCCC(=O)CCCCCCF 1458a_100000212188_100015922095 [0,2,0,0,0,0|1,0,1]=4 18776 B13R0.338 CCCCCC(=O)CCCCCCO 1458a_100000212188_100000766143 [0,2,0,0,0,0|0,0,2]=4 18777 B13R0.338 CCCCCC(=O)CCCCCCO 1458a_100011996774_100000210326 [0,2,0,0,0,0|0,0,2]=4 18778 B13R0.338 CCCCCC(=O)CCCCCOC 1458a_100011935119_100000210326 [0,2,0,0,0,0|2,0,0]=4 18779 B13R0.338 CCCCCC(=O)CSCCCC=O 62a_200011292268_200012276598 [0,2,0,0,0,0|0,0,1]=3 18780 B13R0.338 CCCCCC(=O)CSCCCC=O 62a_200012276598_200011292268 [0,2,0,0,0,0|0,0,1]=3 18781 B13R0.338 CCCCCC(C)NCCCCC#N 2230a_100000211957_100000211819 [0,2,0,0,0,0|1,0,1]=4 18782 B13R0.338 CCCCCC(C)NCCCCC#N 270004a_100000751965_100000211708 [0,2,0,0,0,0|1,0,1]=4 18783 B13R0.338 CCCCCC(C)NCCCCC=O 2230a_100000211957_100000139335 [0,2,0,0,0,0|0,0,0]=2 18784 B13R0.338 CCCCCC(C)NCCCCCF 2230a_100000211957_100000729378 [0,2,0,0,0,0|1,0,1]=4 18785 B13R0.338 CCCCCC(C)NCCCCCO 2230a_100000211957_100000746330 [0,2,0,0,0,0|0,0,2]=4 18786 B13R0.338 CCCCCC(C)NCCCCCO 2230a_100000762737_200011218191 [0,2,0,0,0,0|0,0,2]=4 18787 B13R0.338 CCCCCC(C)NCCCCCO 270004a_100000762737_100000211708 [0,2,0,0,0,0|0,0,2]=4 18788 B13R0.338 CCCCCC(C)NCCCCCO 34a_100000762737_200011218191 [0,2,0,0,0,0|0,0,2]=4 18789 B13R0.338 CCCCCC(C)NCCCCOC 2230a_100000211957_100000730899 [0,2,0,0,0,0|2,0,0]=4 18790 B13R0.338 CCCCCC(C)OCCCCC#N 7a_100011215632_100000211819 [0,2,0,0,0,0|1,0,1]=4 18791 B13R0.338 CCCCCC(C)OCCCCC=O 7a_100011215632_100000139335 [0,2,0,0,0,0|0,0,0]=2 18792 B13R0.338 CCCCCC(C)OCCCCCBr 34a_100000746331_200011218191 [0,2,0,0,0,0|1,0,1]=4 18793 B13R0.338 CCCCCC(C)OCCCCCBr 7a_100000746331_200011218191 [0,2,0,0,0,0|1,0,1]=4 18794 B13R0.338 CCCCCC(C)OCCCCCCl 34a_100000746330_200011218191 [0,2,0,0,0,0|1,0,1]=4 18795 B13R0.338 CCCCCC(C)OCCCCCCl 7a_100000746330_200011218191 [0,2,0,0,0,0|1,0,1]=4 18796 B13R0.338 CCCCCC(C)OCCCCCF 34a_100011215632_100000729378 [0,2,0,0,0,0|1,0,1]=4 18797 B13R0.338 CCCCCC(C)OCCCCCF 7a_100011215632_100000729378 [0,2,0,0,0,0|1,0,1]=4 18798 B13R0.338 CCCCCC(C)OCCCCCI 34a_200012148887_200011218191 [0,2,0,0,0,0|1,0,1]=4 18799 B13R0.338 CCCCCC(C)OCCCCCI 7a_200012148887_200011218191 [0,2,0,0,0,0|1,0,1]=4 18800 B13R0.338 CCCCCC(C)OCCCCCN 34a_100000762737_200011218191 [0,2,0,0,0,0|1,0,1]=4 18801 B13R0.338 CCCCCC(C)OCCCCCO 34a_100011215632_100000746330 [0,2,0,0,0,0|0,0,2]=4 18802 B13R0.338 CCCCCC(C)OCCCCCO 7a_100011215632_100000746330 [0,2,0,0,0,0|0,0,2]=4 18803 B13R0.338 CCCCCC(C)OCCCCOC 34a_100000740925_200011218191 [0,2,0,0,0,0|2,0,0]=4 18804 B13R0.338 CCCCCC(C)OCCCCOC 34a_100011215632_100000755781 [0,2,0,0,0,0|2,0,0]=4 18805 B13R0.338 CCCCCC(C)OCCCCOC 7a_100011215632_100000730899 [0,2,0,0,0,0|2,0,0]=4 18806 B13R0.338 CCCCCC(C)OCCCCSC 34a_100011217163_200011218191 [0,2,0,0,0,0|2,0,0]=4 18807 B13R0.338 CCCCCC(C)OCCCCSC 7a_100011217163_200011218191 [0,2,0,0,0,0|2,0,0]=4 18808 B13R0.338 CCCCCC(C)SCCCCC#N 62a_100011219923_200011218191 [0,2,0,0,0,0|1,0,1]=4 18809 B13R0.338 CCCCCC(C)SCCCCC#N 62a_200011218191_100000211819 [0,2,0,0,0,0|1,0,1]=4 18810 B13R0.338 CCCCCC(C)SCCCCC=O 62a_100000139335_200011218191 [0,2,0,0,0,0|0,0,0]=2 18811 B13R0.338 CCCCCC(C)SCCCCC=O 62a_200011218191_100000139335 [0,2,0,0,0,0|0,0,0]=2 18812 B13R0.338 CCCCCC(C)SCCCCCF 62a_100000729378_200011218191 [0,2,0,0,0,0|1,0,1]=4 18813 B13R0.338 CCCCCC(C)SCCCCCF 62a_200011218191_100000729378 [0,2,0,0,0,0|1,0,1]=4 18814 B13R0.338 CCCCCC(C)SCCCCCO 62a_100000746330_200011218191 [0,2,0,0,0,0|0,0,2]=4 18815 B13R0.338 CCCCCC(C)SCCCCCO 62a_200011218191_100000746330 [0,2,0,0,0,0|0,0,2]=4 18816 B13R0.338 CCCCCC(C)SCCCCOC 62a_100000730899_200011218191 [0,2,0,0,0,0|2,0,0]=4 18817 B13R0.338 CCCCCC(C)SCCCCOC 62a_200011218191_100000730899 [0,2,0,0,0,0|2,0,0]=4 18818 B13R0.338 CCCCCCCC(=O)CCCC#N 1458a_100000075515_100000210614 [0,2,0,0,0,0|1,0,1]=4 18819 B13R0.338 CCCCCCCC(=O)CCCC#N 1458a_100000211969_100000211468 [0,2,0,0,0,0|1,0,1]=4 18820 B13R0.338 CCCCCCCC(=O)CCCCC 1458a_100000211969_100000210326 [0,2,0,0,0,0|1,0,1]=4 18821 B13R0.338 CCCCCCCC(=O)CCCCC 1458a_100000212188_100000210614 [0,2,0,0,0,0|1,0,1]=4 18822 B13R0.338 CCCCCCCC(=O)CCCCF 1458a_100000211969_100000729493 [0,2,0,0,0,0|1,0,1]=4 18823 B13R0.338 CCCCCCCC(=O)CCCCO 1458a_100000211969_100000210776 [0,2,0,0,0,0|0,0,2]=4 18824 B13R0.338 CCCCCCCC(=O)CCCCO 1458a_100000695505_100000210614 [0,2,0,0,0,0|0,0,2]=4 18825 B13R0.338 CCCCCCCC(=O)CCCOC 1458a_100000211969_100000740836 [0,2,0,0,0,0|2,0,0]=4 18826 B13R0.338 CCCCCCCC(=O)CCCOC 1458a_100000741012_100000210614 [0,2,0,0,0,0|2,0,0]=4 18827 B13R0.338 CCCCCCCC(=O)CCCSC 1458a_100000173376_100000210614 [0,2,0,0,0,0|2,0,0]=4 18828 B13R0.338 CCCCCCCC(C)NCCC#N 270004a_100000720768_100000210596 [0,2,0,0,0,0|1,0,1]=4 18829 B13R0.338 CCCCCCCC(C)NCCCC 2230a_100000102301_200011218727 [0,2,0,0,0,0|1,0,1]=4 18830 B13R0.338 CCCCCCCC(C)NCCCC 270004a_100000102301_100000210596 [0,2,0,0,0,0|1,0,1]=4 18831 B13R0.338 CCCCCCCC(C)NCCCC 7a_106832991798_200011218727 [0,2,0,0,0,0|1,0,1]=4 18832 B13R0.338 CCCCCCCC(C)NCCCF 2230a_100015189416_200011218727 [0,2,0,0,0,0|1,0,1]=4 18833 B13R0.338 CCCCCCCC(C)NCCCF 270004a_100015189416_100000210596 [0,2,0,0,0,0|1,0,1]=4 18834 B13R0.338 CCCCCCCC(C)NCCCF 34a_100015189416_200011218727 [0,2,0,0,0,0|1,0,1]=4 18835 B13R0.338 CCCCCCCC(C)NCCCO 270004a_100000182051_100000210596 [0,2,0,0,0,0|0,0,2]=4 18836 B13R0.338 CCCCCCCC(C)NCCOC 2230a_100000209980_200011218727 [0,2,0,0,0,0|2,0,0]=4 18837 B13R0.338 CCCCCCCC(C)NCCOC 270004a_100000209980_100000210596 [0,2,0,0,0,0|2,0,0]=4 18838 B13R0.338 CCCCCCCC(C)NCCSC 2230a_100020590264_200011218727 [0,2,0,0,0,0|2,0,0]=4 18839 B13R0.338 CCCCCCCC(C)NCCSC 270004a_100020590264_100000210596 [0,2,0,0,0,0|2,0,0]=4 18840 B13R0.338 CCCCCCCC(C)OCCC#N 7a_200011215852_100000184422 [0,2,0,0,0,0|1,0,1]=4 18841 B13R0.338 CCCCCCCC(C)OCCCBr 34a_100011217188_200011218727 [0,2,0,0,0,0|1,0,1]=4 18842 B13R0.338 CCCCCCCC(C)OCCCC 34a_100000210227_200011218727 [0,2,0,0,0,0|1,0,1]=4 18843 B13R0.338 CCCCCCCC(C)OCCCC 34a_200011215852_100000210210 [0,2,0,0,0,0|1,0,1]=4 18844 B13R0.338 CCCCCCCC(C)OCCCC 7a_100000210227_200011218727 [0,2,0,0,0,0|1,0,1]=4 18845 B13R0.338 CCCCCCCC(C)OCCCC 7a_200011215852_100000210211 [0,2,0,0,0,0|1,0,1]=4 18846 B13R0.338 CCCCCCCC(C)OCCCCl 34a_100000230001_200011218727 [0,2,0,0,0,0|1,0,1]=4 18847 B13R0.338 CCCCCCCC(C)OCCCF 34a_100000759539_200011218727 [0,2,0,0,0,0|1,0,1]=4 18848 B13R0.338 CCCCCCCC(C)OCCCF 34a_200011215852_100011934791 [0,2,0,0,0,0|1,0,1]=4 18849 B13R0.338 CCCCCCCC(C)OCCCF 7a_200011215852_100011934791 [0,2,0,0,0,0|1,0,1]=4 18850 B13R0.338 CCCCCCCC(C)OCCCN 34a_100000182051_200011218727 [0,2,0,0,0,0|1,0,1]=4 18851 B13R0.338 CCCCCCCC(C)OCCCO 34a_200011215852_100000230001 [0,2,0,0,0,0|0,0,2]=4 18852 B13R0.338 CCCCCCCC(C)OCCCO 7a_200011215852_100011215043 [0,2,0,0,0,0|0,0,2]=4 18853 B13R0.338 CCCCCCCC(C)OCCOC 34a_100000210237_200011218727 [0,2,0,0,0,0|2,0,0]=4 18854 B13R0.338 CCCCCCCC(C)OCCOC 34a_200011215852_100011201679 [0,2,0,0,0,0|2,0,0]=4 18855 B13R0.338 CCCCCCCC(C)OCCOC 7a_200011215852_100000233755 [0,2,0,0,0,0|2,0,0]=4 18856 B13R0.338 CCCCCCCC(C)OCCON 34a_100000700252_200011218727 [0,2,0,0,0,0|2,0,0]=4 18857 B13R0.338 CCCCCCCC(C)OCCSC 34a_100000230434_200011218727 [0,2,0,0,0,0|2,0,0]=4 18858 B13R0.338 CCCCCCCC(C)OCCSC 34a_200011215852_100000212216 [0,2,0,0,0,0|2,0,0]=4 18859 B13R0.338 CCCCCCCC(C)OCCSC 7a_100000230434_200011218727 [0,2,0,0,0,0|2,0,0]=4 18860 B13R0.338 CCCCCCCC(C)OCCSC 7a_200011215852_100000212216 [0,2,0,0,0,0|2,0,0]=4 18861 B13R0.338 CCCCCCCC(C)SCCC#N 62a_100011215226_200011218727 [0,2,0,0,0,0|1,0,1]=4 18862 B13R0.338 CCCCCCCC(C)SCCC#N 62a_200011218727_100011215226 [0,2,0,0,0,0|1,0,1]=4 18863 B13R0.338 CCCCCCCC(C)SCCCF 62a_100011934791_200011218727 [0,2,0,0,0,0|1,0,1]=4 18864 B13R0.338 CCCCCCCC(C)SCCCF 62a_200011218727_100011934791 [0,2,0,0,0,0|1,0,1]=4 18865 B13R0.338 CCCCCCCC(C)SCCCO 62a_100011215043_200011218727 [0,2,0,0,0,0|0,0,2]=4 18866 B13R0.338 CCCCCCCC(C)SCCCO 62a_200011218727_100011215043 [0,2,0,0,0,0|0,0,2]=4 18867 B13R0.338 CCCCCCCC(C)SCCOC 62a_100000233755_200011218727 [0,2,0,0,0,0|2,0,0]=4 18868 B13R0.338 CCCCCCCC(C)SCCOC 62a_200011218727_100000233755 [0,2,0,0,0,0|2,0,0]=4 18869 B13R0.338 CCCCCCCC(C)SCCSC 62a_100000212216_200011218727 [0,2,0,0,0,0|2,0,0]=4 18870 B13R0.338 CCCCCCCC(C)SCCSC 62a_200011218727_100000751147 [0,2,0,0,0,0|2,0,0]=4 18871 B13R0.338 CCCCCCCN(C)CCCC#N 2230a_100000228206_100000687738 [0,2,0,0,0,0|1,0,1]=4 18872 B13R0.338 CCCCCCCN(C)CCCC#N 269982a_100000228206_100000687738 [0,2,0,0,0,0|1,0,1]=4 18873 B13R0.338 CCCCCCCN(C)CCCC=O 2230a_100000228206_200011292268 [0,2,0,0,0,0|0,0,0]=2 18874 B13R0.338 CCCCCCCN(C)CCCC=O 269982a_100000228206_200011292268 [0,2,0,0,0,0|0,0,0]=2 18875 B13R0.338 CCCCCCCN(C)CCCCC 2230a_100000223495_100000210681 [0,2,0,0,0,0|1,0,1]=4 18876 B13R0.338 CCCCCCCN(C)CCCCC 2230a_100000228206_100000210326 [0,2,0,0,0,0|1,0,1]=4 18877 B13R0.338 CCCCCCCN(C)CCCCC 269982a_100000223495_100000210681 [0,2,0,0,0,0|1,0,1]=4 18878 B13R0.338 CCCCCCCN(C)CCCCC 269982a_100000228206_100000210215 [0,2,0,0,0,0|1,0,1]=4 18879 B13R0.338 CCCCCCCN(C)CCCCF 2230a_100000228206_100000729493 [0,2,0,0,0,0|1,0,1]=4 18880 B13R0.338 CCCCCCCN(C)CCCCF 269982a_100000228206_100000729493 [0,2,0,0,0,0|1,0,1]=4 18881 B13R0.338 CCCCCCCN(C)CCCCO 2230a_100000228206_100000210776 [0,2,0,0,0,0|0,0,2]=4 18882 B13R0.338 CCCCCCCN(C)CCCCO 2230a_100000717598_100000210681 [0,2,0,0,0,0|0,0,2]=4 18883 B13R0.338 CCCCCCCN(C)CCCCO 269982a_100000228206_100000210776 [0,2,0,0,0,0|0,0,2]=4 18884 B13R0.338 CCCCCCCN(C)CCCCO 269982a_100000717598_100000210681 [0,2,0,0,0,0|0,0,2]=4 18885 B13R0.338 CCCCCCCN(C)CCCOC 2230a_100000224831_100000210681 [0,2,0,0,0,0|2,0,0]=4 18886 B13R0.338 CCCCCCCN(C)CCCOC 2230a_100000228206_100000740836 [0,2,0,0,0,0|2,0,0]=4 18887 B13R0.338 CCCCCCCN(C)CCCOC 269982a_100000224831_100000210681 [0,2,0,0,0,0|2,0,0]=4 18888 B13R0.338 CCCCCCCN(C)CCCOC 269982a_100000228206_100000740836 [0,2,0,0,0,0|2,0,0]=4 18889 B13R0.338 CCCCCCNC(=O)CSCC=O 62a_100000230325_200015260668 [0,2,0,0,0,0|1,0,1]=4 18890 B13R0.338 CCCCCCNC(C)CCCC#N 270004a_100000210581_200000032708 [0,2,0,0,0,0|1,0,1]=4 18891 B13R0.338 CCCCCCNC(C)CCCCC 2230a_100000210581_200011218191 [0,2,0,0,0,0|1,0,1]=4 18892 B13R0.338 CCCCCCNC(C)CCCCC 2230a_100000211957_100000210314 [0,2,0,0,0,0|1,0,1]=4 18893 B13R0.338 CCCCCCNC(C)CCCCC 270004a_100000210581_100000211708 [0,2,0,0,0,0|1,0,1]=4 18894 B13R0.338 CCCCCCNC(C)CCCSC 270004a_100000210581_100011399439 [0,2,0,0,0,0|2,0,0]=4 18895 B13R0.338 CCCCCCOC(C)CCCCC 34a_100000210259_200011218191 [0,2,0,0,0,0|1,0,1]=4 18896 B13R0.338 CCCCCCOC(C)CCCCC 34a_100011215632_100000210314 [0,2,0,0,0,0|1,0,1]=4 18897 B13R0.338 CCCCCCOC(C)CCCCC 7a_100000210259_200011218191 [0,2,0,0,0,0|1,0,1]=4 18898 B13R0.338 CCCCCCOC(C)CCCCC 7a_100011215632_100000210314 [0,2,0,0,0,0|1,0,1]=4 18899 B13R0.338 CCCCCCOC(C)CCCOC 34a_200011539412_100000210314 [0,2,0,0,0,0|2,0,0]=4 18900 B13R0.338 CCCCCCOC(C)CCCOC 7a_200011539412_100000210314 [0,2,0,0,0,0|2,0,0]=4 18901 B13R0.338 CCCCCN(C)CCCCCC#N 2230a_100000223495_100009813376 [0,2,0,0,0,0|1,0,1]=4 18902 B13R0.338 CCCCCN(C)CCCCCC#N 269982a_100000223495_100009813376 [0,2,0,0,0,0|1,0,1]=4 18903 B13R0.338 CCCCCN(C)CCCCCC=O 2230a_100000223495_100000139337 [0,2,0,0,0,0|0,0,0]=2 18904 B13R0.338 CCCCCN(C)CCCCCC=O 269982a_100000223495_100000139337 [0,2,0,0,0,0|0,0,0]=2 18905 B13R0.338 CCCCCN(C)CCCCCCF 2230a_100000223495_100015922095 [0,2,0,0,0,0|1,0,1]=4 18906 B13R0.338 CCCCCN(C)CCCCCCF 269982a_100000223495_100015922095 [0,2,0,0,0,0|1,0,1]=4 18907 B13R0.338 CCCCCN(C)CCCCCCO 2230a_100000223495_100000766143 [0,2,0,0,0,0|0,0,2]=4 18908 B13R0.338 CCCCCN(C)CCCCCCO 269982a_100000223495_100000766143 [0,2,0,0,0,0|0,0,2]=4 18909 B13R0.338 CCCCCOC[C@@H](N)CCCCN 34a_100016993712_100000718602 [0,2,0,0,0,0|1,0,1]=4 18910 B13R0.338 CCCCNC(=O)CSCCCC=O 62a_100000182744_200011292268 [0,2,0,0,0,0|1,0,1]=4 18911 B13R0.338 CCCCNC(=O)CSCCCC=O 62a_200011292268_100000182744 [0,2,0,0,0,0|1,0,1]=4 18912 B13R0.338 CCCCOC(=O)CSCCCC=O 62a_100000211628_200011292268 [0,2,0,0,0,0|1,0,1]=4 18913 B13R0.338 CCCCOC(=O)CSCCCC=O 62a_200011292268_100000211628 [0,2,0,0,0,0|1,0,1]=4 18914 B13R0.338 CN(CCCCO)CCCCCC=O 2230a_100000717598_100000139337 [0,2,0,0,0,0|1,0,0]=3 18915 B13R0.338 CN(CCCCO)CCCCCC=O 269982a_100000717598_100000139337 [0,2,0,0,0,0|1,0,0]=3 18916 B13R0.338 COCCCC(C)OCCCCC=O 7a_200011539412_100000139335 [0,2,0,0,0,0|1,0,0]=3 18917 B13R0.338 COCCCN(C)CCCCCC=O 2230a_100000224831_100000139337 [0,2,0,0,0,0|1,0,0]=3 18918 B13R0.338 COCCCN(C)CCCCCC=O 269982a_100000224831_100000139337 [0,2,0,0,0,0|1,0,0]=3 18919 B13R0.1 C=C(Br)CCOC(C)CCCCCC 34a_100009813270_100011215978 [0,2,0,0,0,0|2,0,0]=4 18920 B13R0.1 C=C(C)CCNC(C)CCCCCC 2230a_100000210919_100000730704 [0,2,0,0,0,0|2,0,0]=4 18921 B13R0.1 C=C(C)CCNC(C)CCCCCC 34a_100000210919_100000730704 [0,2,0,0,0,0|2,0,0]=4 18922 B13R0.1 C=C(C)CCOC(C)CCCCCC 34a_100000210265_100000730704 [0,2,0,0,0,0|2,0,0]=4 18923 B13R0.1 C=C(C)CCOC(C)CCCCCC 34a_100000764851_100011215978 [0,2,0,0,0,0|2,0,0]=4 18924 B13R0.1 C=C(C)CCOC(C)CCCCCC 7a_100000210265_100000730704 [0,2,0,0,0,0|2,0,0]=4 18925 B13R0.1 C=CCCCCC(=O)CCCC(C)C 1458a_100011215552_100011214892 [0,2,0,0,0,0|1,0,1]=4 18926 B13R0.1 C=CCCCCC(=O)CCCC(C)C 1458a_100011216857_100011215482 [0,2,0,0,0,0|1,0,1]=4 18927 B13R0.1 C=CCCCCC(=O)CCCC(C)O 1458a_100011215552_200000718107 [0,2,0,0,0,0|1,0,1]=4 18928 B13R0.1 C=CCCCCN(C)CCCC(C)C 2230a_100012000471_100011214892 [0,2,0,0,0,0|2,0,0]=4 18929 B13R0.1 C=CCCCCN(C)CCCC(C)C 269982a_100012000471_100011214892 [0,2,0,0,0,0|2,0,0]=4 18930 B13R0.1 C=CCCCCN(C)CCCC(C)O 2230a_100012000471_200000718107 [0,2,0,0,0,0|2,0,0]=4 18931 B13R0.1 C=CCCCCN(C)CCCC(C)O 269982a_100012000471_200000718107 [0,2,0,0,0,0|2,0,0]=4 18932 B13R0.1 C=CCCCNC(C)CCCC(C)C 2230a_100000210607_100011713584 [0,2,0,0,0,0|2,0,0]=4 18933 B13R0.1 C=CCCCNC(C)CCCC(C)C 270004a_100000700776_100000753411 [0,2,0,0,0,0|2,0,0]=4 18934 B13R0.1 C=CCCCOC(C)CCCC(C)C 34a_200011218570_100000757094 [0,2,0,0,0,0|2,0,0]=4 18935 B13R0.1 C=CCCCOC(C)CCCC(C)C 7a_200011218570_100000757094 [0,2,0,0,0,0|2,0,0]=4 18936 B13R0.1 C=CCNCCC(C)CCCC(C)C 2230a_100020586998_100009816328 [0,2,0,0,0,0|2,0,0]=4 18937 B13R0.1 C=CCNCCC(C)CCCC(C)C 2230a_102516457229_100000210623 [0,2,0,0,0,0|2,0,0]=4 18938 B13R0.1 C=CCOCCC(C)CCCC(C)C 34a_100000015991_100015514636 [0,2,0,0,0,0|2,0,0]=4 18939 B13R0.1 C=CCOCCC(C)CCCC(C)C 34a_200000210373_100009816328 [0,2,0,0,0,0|2,0,0]=4 18940 B13R0.1 C=CCOCCC(C)CCCC(C)C 7a_100000015991_100015514636 [0,2,0,0,0,0|2,0,0]=4 18941 B13R0.1 C=CCSCCC(C)CCCC(C)C 62a_100000210623_100009816328 [0,2,0,0,0,0|2,0,0]=4 18942 B13R0.1 C=CCSCCC(C)CCCC(C)C 62a_100009816328_100000210623 [0,2,0,0,0,0|2,0,0]=4 18943 B13R0.1 CC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100011215641 [0,2,0,0,0,0|1,0,1]=4 18944 B13R0.1 CC(=O)CCCN(C)CCCCCO 269982a_100000722520_100011215641 [0,2,0,0,0,0|2,0,0]=4 18945 B13R0.1 CC(C)CCCC(C)CCNCC=O 2230a_102516457229_200015260668 [0,2,0,0,0,0|1,0,0]=3 18946 B13R0.1 CC(C)CCCC(C)CCOCC=O 34a_100000015991_200009817547 [0,2,0,0,0,0|1,0,0]=3 18947 B13R0.1 CC(C)CCCC(C)CCOCC=O 7a_100000015991_200015260668 [0,2,0,0,0,0|1,0,0]=3 18948 B13R0.1 CC(C)CCCC(C)CCSCC=O 62a_100009816328_200015260668 [0,2,0,0,0,0|1,0,0]=3 18949 B13R0.1 CC(C)CCCC(C)CCSCC=O 62a_200015260668_100009816328 [0,2,0,0,0,0|1,0,0]=3 18950 B13R0.1 CC(C)CCCC(C)NCCCC=O 2230a_100000210607_200011292268 [0,2,0,0,0,0|1,0,0]=3 18951 B13R0.1 CC(C)CCCC(C)OCCCC=O 7a_200011218570_200011292268 [0,2,0,0,0,0|1,0,0]=3 18952 B13R0.1 CC(CCCC(=O)[O-])OCCCCF 7a_100000761597_100000729493 [0,2,0,0,0,0|2,0,0]=4 18953 B13R0.1 CC(CCCC(=O)[O-])OCCCCO 7a_100000761597_100000210776 [0,2,0,0,0,0|2,0,0]=4 18954 B13R0.1 CCCCCCC(=O)CCCC(=O)C 1458a_100102632555_100011215641 [0,2,0,0,0,0|0,0,1]=3 18955 B13R0.1 CCCCCCC(=O)CCCC(=O)N 1458a_100102632555_100102525003 [0,2,0,0,0,0|0,0,1]=3 18956 B13R0.1 CCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210757 [0,2,0,0,0,0|1,0,1]=4 18957 B13R0.1 CCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210757 [0,2,0,0,0,0|1,0,1]=4 18958 B13R0.1 CCCCCCC(=O)CCNC(=O)C 1458a_100102632555_100000189650 [0,2,0,0,0,0|1,0,1]=4 18959 B13R0.1 CCCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210757 [0,2,0,0,0,0|1,0,1]=4 18960 B13R0.1 CCCCCCC(=O)CCNC(=O)N 1458a_100102632555_200000034859 [0,2,0,0,0,0|1,0,1]=4 18961 B13R0.1 CCCCCCC(=O)CCOC(=O)C 1458a_100102632555_100009814007 [0,2,0,0,0,0|1,0,1]=4 18962 B13R0.1 CCCCCCC(=O)CCOC(=O)N 1458a_100102632555_200011214921 [0,2,0,0,0,0|1,0,1]=4 18963 B13R0.1 CCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210757 [0,2,0,0,0,0|1,0,1]=4 18964 B13R0.1 CCCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210757 [0,2,0,0,0,0|1,0,1]=4 18965 B13R0.1 CCCCCCC(=O)NCCC(=O)N 11a_100000740010_100102632555 [0,2,0,0,0,0|1,0,1]=4 18966 B13R0.1 CCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100102632555 [0,2,0,0,0,0|1,0,1]=4 18967 B13R0.1 CCCCCCC(=O)NCCC(=O)N 527a_100000740010_100102632555 [0,2,0,0,0,0|1,0,1]=4 18968 B13R0.1 CCCCCCC(C)NCCC(=O)N 2230a_100000210919_100000744528 [0,2,0,0,0,0|1,0,0]=3 18969 B13R0.1 CCCCCCC(C)NCCC(=O)N 34a_100000210919_100000731001 [0,2,0,0,0,0|1,0,0]=3 18970 B13R0.1 CCCCCCC(C)NCOC(=O)C 34a_100000210919_100009813279 [0,2,0,0,0,0|2,0,0]=4 18971 B13R0.1 CCCCCCC(C)NOCC(=O)O 269956a_100000106656_100011215978 [0,2,0,0,0,0|2,0,0]=4 18972 B13R0.1 CCCCCCC(C)OCCC(=O)C 34a_100000759926_100011215978 [0,2,0,0,0,0|1,0,0]=3 18973 B13R0.1 CCCCCCC(C)OCCC(=O)C 7a_100000210265_100000053229 [0,2,0,0,0,0|1,0,0]=3 18974 B13R0.1 CCCCCCC(C)OCCC(=O)C 7a_100000759926_100011215978 [0,2,0,0,0,0|1,0,0]=3 18975 B13R0.1 CCCCCCC(C)OCCC(=O)N 34a_100000210265_100000731001 [0,2,0,0,0,0|1,0,0]=3 18976 B13R0.1 CCCCCCC(C)OCCC(=O)N 34a_100000757172_100011215978 [0,2,0,0,0,0|1,0,0]=3 18977 B13R0.1 CCCCCCC(C)OCCC(=O)N 7a_100000210265_100000744528 [0,2,0,0,0,0|1,0,0]=3 18978 B13R0.1 CCCCCCC(C)OCCC(=O)N 7a_100000757172_100011215978 [0,2,0,0,0,0|1,0,0]=3 18979 B13R0.1 CCCCCCC(C)OCOC(=O)C 34a_100000210265_100009813279 [0,2,0,0,0,0|2,0,0]=4 18980 B13R0.1 CCCCCCC(C)SCCC(=O)C 62a_100000053229_100011215978 [0,2,0,0,0,0|1,0,0]=3 18981 B13R0.1 CCCCCCC(C)SCCC(=O)C 62a_100011215978_100000053229 [0,2,0,0,0,0|1,0,0]=3 18982 B13R0.1 CCCCCCC(C)SCCC(=O)N 62a_100000744528_100011215978 [0,2,0,0,0,0|1,0,0]=3 18983 B13R0.1 CCCCCCC(C)SCCC(=O)N 62a_100011215978_100000744528 [0,2,0,0,0,0|1,0,0]=3 18984 B13R0.1 CCCCCCC(C)SCOC(=O)C 62a_100000076356_100011215978 [0,2,0,0,0,0|2,0,0]=4 18985 B13R0.1 CCCCCCC(C)SCOC(=O)C 62a_100011215978_100000076356 [0,2,0,0,0,0|2,0,0]=4 18986 B13R0.1 CCCCCCN(C)CCCC(=O)C 269982a_106256046315_100011215641 [0,2,0,0,0,0|1,0,0]=3 18987 B13R0.1 CCCCCCN(C)CCCC(=O)N 269982a_106256046315_100102525003 [0,2,0,0,0,0|1,0,0]=3 18988 B13R0.1 CCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210757 [0,2,0,0,0,0|1,0,0]=3 18989 B13R0.1 CCCCCCN(C)CCNC(=O)C 2230a_106256046315_100000189650 [0,2,0,0,0,0|2,0,0]=4 18990 B13R0.1 CCCCCCN(C)CCNC(=O)C 269982a_106256046315_100000189650 [0,2,0,0,0,0|2,0,0]=4 18991 B13R0.1 CCCCCCN(C)CCNC(=O)N 2230a_106256046315_200000034859 [0,2,0,0,0,0|2,0,0]=4 18992 B13R0.1 CCCCCCN(C)CCNC(=O)N 269982a_106256046315_200000034859 [0,2,0,0,0,0|2,0,0]=4 18993 B13R0.1 CCCCCCN(C)CCOC(=O)C 269982a_106256046315_100009814007 [0,2,0,0,0,0|2,0,0]=4 18994 B13R0.1 CCCCCCN(C)CCOC(=O)N 269982a_106256046315_200011214921 [0,2,0,0,0,0|2,0,0]=4 18995 B13R0.1 CCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210326 [0,2,0,0,0,0|1,0,0]=3 18996 B13R0.1 CCCCOCC(=O)CCCC(=O)C 1458a_100000757543_100011215641 [0,2,0,0,0,0|1,0,1]=4 18997 B13R0.1 CCCCOCC(=O)CCCC(=O)N 1458a_100000757543_100102525003 [0,2,0,0,0,0|1,0,1]=4 18998 B13R0.1 CCCCOCC(C)OCCC(=O)C 7a_100011217071_100000053229 [0,2,0,0,0,0|2,0,0]=4 18999 B13R0.1 CCCCOCC(C)OCCC(=O)N 34a_100011217071_100000731001 [0,2,0,0,0,0|2,0,0]=4 19000 B13R0.1 CCCCOCC(C)OCCC(=O)N 7a_100011217071_100000744528 [0,2,0,0,0,0|2,0,0]=4 19001 B13R0.1 CCCCOCN(C)CCCC(=O)O 269956a_100000719178_100011995733 [0,2,0,0,0,0|2,0,0]=4 19002 B13R0.1 CCCCSCC(=O)CCCC(=O)C 1458a_100000191162_100011215641 [0,2,0,0,0,0|1,0,1]=4 19003 B13R0.1 CCCCSCC(=O)CCCC(=O)N 1458a_100000191162_100102525003 [0,2,0,0,0,0|1,0,1]=4 19004 B13R0.1 CCCOCCN(C)CCCC(=O)O 269956a_100000719178_100011215938 [0,2,0,0,0,0|2,0,0]=4 19005 B13R0.1 CCOCCCN(C)CCCC(=O)O 269956a_100000719178_100012232248 [0,2,0,0,0,0|2,0,0]=4 19006 B13R0.1 CCOCCOC(C)CCCC(=O)[O-] 7a_100000761597_100011215890 [0,2,0,0,0,0|2,0,0]=4 19007 B13R0.1 CCSCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000757381 [0,2,0,0,0,0|2,0,0]=4 19008 B13R0.1 CN(C)CCCN(C)CCCCC=O 269982a_100000225831_100000139335 [0,2,0,0,0,0|2,0,0]=4 19009 B13R0.1 CN(CCCCCF)CCCC(=O)O 269956a_100000719178_100000729378 [0,2,0,0,0,0|2,0,0]=4 19010 B13R0.1 CN(CCCCCO)CCCC(=O)N 269982a_100000722520_100102525003 [0,2,0,0,0,0|2,0,0]=4 19011 B13R0.1 CN(CCCCCO)CCCC(=O)O 269956a_100000719178_100000746330 [0,2,0,0,0,0|2,0,0]=4 19012 B13R0.1 COCCCCN(C)CCCC(=O)O 269956a_100000719178_100000730899 [0,2,0,0,0,0|2,0,0]=4 19013 B13R0.1 COCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000740836 [0,2,0,0,0,0|2,0,0]=4 19014 B13R0.1 NC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100102525003 [0,2,0,0,0,0|1,0,1]=4 19015 B13R0.188 C=CCCCC(=O)CCCCC(C)C 1458a_100000766728_100011216152 [0,2,0,0,0,0|1,0,1]=4 19016 B13R0.188 C=CCCCC(=O)CCCCC(C)C 1458a_100011933920_100000757094 [0,2,0,0,0,0|1,0,1]=4 19017 B13R0.188 CC(=O)CCCCC(=O)CCCCO 1458a_100000695505_100000735457 [0,2,0,0,0,0|1,0,1]=4 19018 B13R0.188 CC(=O)CCCCN(C)CCCCO 269982a_100000717598_100000735457 [0,2,0,0,0,0|2,0,0]=4 19019 B13R0.188 CCCCCC(=O)CCCCC(=O)C 1458a_100000212188_100000735457 [0,2,0,0,0,0|0,0,1]=3 19020 B13R0.188 CCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210326 [0,2,0,0,0,0|1,0,1]=4 19021 B13R0.188 CCCCCC(=O)CCCOC(=O)C 1458a_100000212188_100000042594 [0,2,0,0,0,0|1,0,1]=4 19022 B13R0.188 CCCCCC(=O)CCCSC(=O)C 1458a_100000212188_100000038929 [0,2,0,0,0,0|1,0,1]=4 19023 B13R0.188 CCCCCC(=O)CCOCC(=O)N 1458a_100000212188_100000076697 [0,2,0,0,0,0|1,0,1]=4 19024 B13R0.188 CCCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210326 [0,2,0,0,0,0|1,0,1]=4 19025 B13R0.188 CCCCCC(=O)COCCC(=O)C 34a_100000759926_200012276598 [0,2,0,0,0,0|1,0,1]=4 19026 B13R0.188 CCCCCC(=O)COCCC(=O)C 7a_100000759926_200012276598 [0,2,0,0,0,0|1,0,1]=4 19027 B13R0.188 CCCCCC(=O)COCCC(=O)N 34a_100000757172_200012276598 [0,2,0,0,0,0|1,0,1]=4 19028 B13R0.188 CCCCCC(=O)COCCC(=O)N 7a_100000757172_200012276598 [0,2,0,0,0,0|1,0,1]=4 19029 B13R0.188 CCCCCC(=O)CSCCC(=O)C 62a_100000053229_200012276598 [0,2,0,0,0,0|1,0,1]=4 19030 B13R0.188 CCCCCC(=O)CSCCC(=O)C 62a_200012276598_100000053229 [0,2,0,0,0,0|1,0,1]=4 19031 B13R0.188 CCCCCC(=O)CSCCC(=O)N 62a_100000744528_200012276598 [0,2,0,0,0,0|1,0,1]=4 19032 B13R0.188 CCCCCC(=O)CSCCC(=O)N 62a_200012276598_100000744528 [0,2,0,0,0,0|1,0,1]=4 19033 B13R0.188 CCCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000212188 [0,2,0,0,0,0|1,0,1]=4 19034 B13R0.188 CCCCCC(=O)NCCCC(=O)N 527a_100000739312_100000212188 [0,2,0,0,0,0|1,0,1]=4 19035 B13R0.188 CCCCCC(C)NCCCC(=O)N 34a_100000739312_200011218191 [0,2,0,0,0,0|1,0,0]=3 19036 B13R0.188 CCCCCC(C)NCCCS(=O)C 2230a_200000753449_200011218191 [0,2,0,0,0,0|2,0,0]=4 19037 B13R0.188 CCCCCC(C)NCCCS(=O)C 270004a_200000753449_100000211708 [0,2,0,0,0,0|2,0,0]=4 19038 B13R0.188 CCCCCC(C)NCCNC(=O)C 2230a_100000209853_200011218191 [0,2,0,0,0,0|2,0,0]=4 19039 B13R0.188 CCCCCC(C)NCCNC(=O)C 2230a_100000211957_100000189650 [0,2,0,0,0,0|2,0,0]=4 19040 B13R0.188 CCCCCC(C)NCCNC(=O)N 2230a_100000211957_200000034859 [0,2,0,0,0,0|2,0,0]=4 19041 B13R0.188 CCCCCC(C)NCCNC(=O)N 34a_100020590234_200011218191 [0,2,0,0,0,0|2,0,0]=4 19042 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100000759063_200011218191 [0,2,0,0,0,0|1,0,0]=3 19043 B13R0.188 CCCCCC(C)OCCCC(=O)C 34a_100011215632_100000685027 [0,2,0,0,0,0|1,0,0]=3 19044 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100000759063_200011218191 [0,2,0,0,0,0|1,0,0]=3 19045 B13R0.188 CCCCCC(C)OCCCC(=O)C 7a_100011215632_100011215641 [0,2,0,0,0,0|1,0,0]=3 19046 B13R0.188 CCCCCC(C)OCCCC(=O)N 34a_100011215632_100102525003 [0,2,0,0,0,0|1,0,0]=3 19047 B13R0.188 CCCCCC(C)OCCCC(=O)N 7a_100011215632_100102525003 [0,2,0,0,0,0|1,0,0]=3 19048 B13R0.188 CCCCCC(C)OCCC[N+](=O)[O-] 34a_200000037920_200011218191 [0,2,0,0,0,0|2,0,0]=4 19049 B13R0.188 CCCCCC(C)OCCNC(=O)C 34a_100000158858_200011218191 [0,2,0,0,0,0|2,0,0]=4 19050 B13R0.188 CCCCCC(C)OCCNC(=O)C 7a_100011215632_100000189650 [0,2,0,0,0,0|2,0,0]=4 19051 B13R0.188 CCCCCC(C)OCCNC(=O)N 34a_100000181757_200011218191 [0,2,0,0,0,0|2,0,0]=4 19052 B13R0.188 CCCCCC(C)OCCNC(=O)N 7a_100011215632_200000034859 [0,2,0,0,0,0|2,0,0]=4 19053 B13R0.188 CCCCCC(C)OCCOC(=O)C 34a_100011215632_100009814007 [0,2,0,0,0,0|2,0,0]=4 19054 B13R0.188 CCCCCC(C)OCCOC(=O)C 7a_100011215632_100009814007 [0,2,0,0,0,0|2,0,0]=4 19055 B13R0.188 CCCCCC(C)OCCOC(=O)N 34a_100011215632_200011214921 [0,2,0,0,0,0|2,0,0]=4 19056 B13R0.188 CCCCCC(C)OCCOC(=O)N 7a_100000766696_200011218191 [0,2,0,0,0,0|2,0,0]=4 19057 B13R0.188 CCCCCC(C)OCCOC(=O)N 7a_100011215632_200011214921 [0,2,0,0,0,0|2,0,0]=4 19058 B13R0.188 CCCCCC(C)SCCCC(=O)C 62a_100011215641_200011218191 [0,2,0,0,0,0|1,0,0]=3 19059 B13R0.188 CCCCCC(C)SCCCC(=O)C 62a_200011218191_100011215641 [0,2,0,0,0,0|1,0,0]=3 19060 B13R0.188 CCCCCC(C)SCCCC(=O)N 62a_100102525003_200011218191 [0,2,0,0,0,0|1,0,0]=3 19061 B13R0.188 CCCCCC(C)SCCCC(=O)N 62a_200011218191_100102525003 [0,2,0,0,0,0|1,0,0]=3 19062 B13R0.188 CCCCCC(C)SCCNC(=O)C 62a_100000189650_200011218191 [0,2,0,0,0,0|2,0,0]=4 19063 B13R0.188 CCCCCC(C)SCCNC(=O)C 62a_200011218191_100000189650 [0,2,0,0,0,0|2,0,0]=4 19064 B13R0.188 CCCCCC(C)SCCNC(=O)N 62a_200000034859_200011218191 [0,2,0,0,0,0|2,0,0]=4 19065 B13R0.188 CCCCCC(C)SCCNC(=O)N 62a_200011218191_200000034859 [0,2,0,0,0,0|2,0,0]=4 19066 B13R0.188 CCCCCC(C)SCCOC(=O)C 62a_100009814007_200011218191 [0,2,0,0,0,0|2,0,0]=4 19067 B13R0.188 CCCCCC(C)SCCOC(=O)C 62a_200011218191_100009814007 [0,2,0,0,0,0|2,0,0]=4 19068 B13R0.188 CCCCCC(C)SCCOC(=O)N 62a_200011214921_200011218191 [0,2,0,0,0,0|2,0,0]=4 19069 B13R0.188 CCCCCC(C)SCCOC(=O)N 62a_200011218191_200011214921 [0,2,0,0,0,0|2,0,0]=4 19070 B13R0.188 CCCCCN(C)CCCCC(=O)C 269982a_100000223495_100000735457 [0,2,0,0,0,0|1,0,0]=3 19071 B13R0.188 CCCCCN(C)CCCOC(=O)C 269982a_100000223495_100000042594 [0,2,0,0,0,0|2,0,0]=4 19072 B13R0.188 CCCCCN(C)CCCSC(=O)C 2230a_100000223495_100000038929 [0,2,0,0,0,0|2,0,0]=4 19073 B13R0.188 CCCCCN(C)CCCSC(=O)C 269982a_100000223495_100000038929 [0,2,0,0,0,0|2,0,0]=4 19074 B13R0.188 CCCCCN(C)CCOCC(=O)N 2230a_100000223495_100000076697 [0,2,0,0,0,0|2,0,0]=4 19075 B13R0.188 CCCCCN(C)CCOCC(=O)N 269982a_100000223495_100000076697 [0,2,0,0,0,0|2,0,0]=4 19076 B13R0.188 CCCOCC(=O)CCCCC(=O)C 1458a_100000745993_100000735457 [0,2,0,0,0,0|1,0,1]=4 19077 B13R0.188 CCCSCC(=O)CCCCC(=O)C 1458a_100000217233_100000735457 [0,2,0,0,0,0|1,0,1]=4 19078 B13R0.188 CCOCCC(=O)CCCCC(=O)C 1458a_100000749530_100000735457 [0,2,0,0,0,0|1,0,1]=4 19079 B13R0.188 CCSCCC(=O)CCCCC(=O)C 1458a_100000230768_100000735457 [0,2,0,0,0,0|1,0,1]=4 19080 B13R0.188 COCCCC(=O)CCCCC(=O)C 1458a_100000741012_100000735457 [0,2,0,0,0,0|1,0,1]=4 19081 B13R0.188 COCCCC(C)OCCCC(=O)C 34a_200011539412_100000685027 [0,2,0,0,0,0|2,0,0]=4 19082 B13R0.188 COCCCC(C)OCCCC(=O)C 7a_200011539412_100011215641 [0,2,0,0,0,0|2,0,0]=4 19083 B13R0.188 COCCCC(C)OCCCC(=O)N 34a_200011539412_100102525003 [0,2,0,0,0,0|2,0,0]=4 19084 B13R0.188 COCCCC(C)OCCCC(=O)N 7a_200011539412_100102525003 [0,2,0,0,0,0|2,0,0]=4 19085 B13R0.188 COCCCN(C)CCCCC(=O)C 269982a_100000224831_100000735457 [0,2,0,0,0,0|2,0,0]=4 19086 B13R0.188 CSCCCC(=O)CCCCC(=O)C 1458a_100000173376_100000735457 [0,2,0,0,0,0|1,0,1]=4 19087 B13R0.188 NCCCC[C@H](N)COCCC(=O)N 34a_100016993712_100000731001 [0,2,0,0,0,0|2,0,0]=4 19088 B13R0.195 C=CCCC(C)NC(C)CCCCC 270004a_100000211957_100000762624 [0,2,0,0,0,0|2,0,0]=4 19089 B13R0.195 C=CCCC(C)OC(C)CCCCC 34a_100000765329_200011218191 [0,2,0,0,0,0|2,0,0]=4 19090 B13R0.195 C=CCCC(C)OC(C)CCCCC 7a_100000765329_200011218191 [0,2,0,0,0,0|2,0,0]=4 19091 B13R0.278 C#CC(CCCCC)OCCCC=C 34a_100011216489_100000757094 [0,2,0,0,0,0|2,0,0]=4 19092 B13R0.278 C#CC(CCCCC)OCCCC=C 7a_100011216489_100000757094 [0,2,0,0,0,0|2,0,0]=4 19093 B13R0.278 C#CC(CCCCC)OCCCC=O 7a_100011216489_200011292268 [0,2,0,0,0,0|1,0,0]=3 19094 B13R0.278 C=CC(CCCCC)OCCCC=O 7a_100011216863_200011292268 [0,2,0,0,0,0|1,0,0]=3 19095 B13R0.278 C=CCCCNC(CC)CCCCC 270004a_100000700776_100011215316 [0,2,0,0,0,0|2,0,0]=4 19096 B13R0.278 C=CCCCOC(C=C)CCCCC 34a_100011216863_100000757094 [0,2,0,0,0,0|2,0,0]=4 19097 B13R0.278 C=CCCCOC(C=C)CCCCC 7a_100011216863_100000757094 [0,2,0,0,0,0|2,0,0]=4 19098 B13R0.278 C=CCCCOC(CC)CCCCC 34a_100011215405_100000757094 [0,2,0,0,0,0|2,0,0]=4 19099 B13R0.278 C=CCCCOC(CC)CCCCC 7a_100011215405_100000757094 [0,2,0,0,0,0|2,0,0]=4 19100 B13R0.278 C=CCCNC(CC)CCCCCC 270004a_100015191253_100011219640 [0,2,0,0,0,0|2,0,0]=4 19101 B13R0.278 C=CCCOC(C=C)CCCCCC 34a_200011215977_100000754431 [0,2,0,0,0,0|2,0,0]=4 19102 B13R0.278 C=CCCOC(C=C)CCCCCC 7a_200011215977_100000754431 [0,2,0,0,0,0|2,0,0]=4 19103 B13R0.278 C=CCCOC(CC)CCCCCC 34a_100011215785_100000754431 [0,2,0,0,0,0|2,0,0]=4 19104 B13R0.278 C=CCCOC(CC)CCCCCC 7a_100011215785_100000754431 [0,2,0,0,0,0|2,0,0]=4 19105 B13R0.278 CCCCCC(CC)OCCCC=O 7a_100011215405_200011292268 [0,2,0,0,0,0|1,0,0]=3 19106 B13R0.278 CCN(CCCCO)CCCCC=O 2230a_100011217355_100000139335 [0,2,0,0,0,0|2,0,0]=4 19107 B13R0.278 CCN(CCCCO)CCCCC=O 269982a_100011217355_100000139335 [0,2,0,0,0,0|2,0,0]=4 19108 B13R0.398 C=CCCCC(=O)C(C)CCCCC 1458a_100000766728_200011218191 [0,2,0,0,0,0|1,0,1]=4 19109 B13R0.398 C=CCCCC(=O)C(C)CCCCC 1458a_100011215998_100000757094 [0,2,0,0,0,0|1,0,1]=4 19110 B13R0.1129 C=CCCOC(C)(C)CCCCCC 7a_200011995690_100000754431 [0,2,0,0,0,0|2,0,0]=4 19111 B13R0.1170 C=CC(C)COC(C)CCCCCC 34a_100011215527_100011215978 [0,2,0,0,0,0|2,0,0]=4 19112 B13R0.1170 C=CC(C)COC(C)CCCCCC 7a_100011215527_100011215978 [0,2,0,0,0,0|2,0,0]=4 19113 B13R0.1170 C=CC(O)CNC(C)CCCCCC 2230a_100000210919_100000730141 [0,2,0,0,0,0|2,0,0]=4 19114 B13R0.1170 C=CC(O)CNC(C)CCCCCC 34a_100000210919_100000730141 [0,2,0,0,0,0|2,0,0]=4 19115 B13R0.1170 C=CC(O)COC(C)CCCCCC 34a_100000210265_100000730141 [0,2,0,0,0,0|2,0,0]=4 19116 B13R0.1170 C=CC(O)COC(C)CCCCCC 7a_100000210265_100000730141 [0,2,0,0,0,0|2,0,0]=4 19117 B13R0.1170 C=CC(O)CSC(C)CCCCCC 62a_100000730141_100011215978 [0,2,0,0,0,0|2,0,0]=4 19118 B13R0.1170 C=CC(O)CSC(C)CCCCCC 62a_100011215978_100000730141 [0,2,0,0,0,0|2,0,0]=4 19119 B13R0.1170 C=CCCCCC(=O)CCC(C)CC 1458a_100000701222_100011215482 [0,2,0,0,0,0|1,0,1]=4 19120 B13R0.1170 C=CCCCOC(C)CCC(C)CC 7a_200011216552_100000757094 [0,2,0,0,0,0|2,0,0]=4 19121 B13R0.1170 C=C[C@H](N)COC(C)CCCCCC 34a_100016989147_100011215978 [0,2,0,0,0,0|2,0,0]=4 19122 B13R0.1170 CCC(C)CCC(C)OCCCC=O 7a_200011216552_200011292268 [0,2,0,0,0,0|1,0,0]=3 19123 B13R0.1171 C=CCCC(=O)C(C)CCCCCC 1458a_100000749702_100011215978 [0,2,0,0,0,0|1,0,1]=4 19124 B13R0.1171 C=CCCC(=O)C(O)CCCCCC 1458a_100011215828_100000754431 [0,2,0,0,0,0|1,0,1]=4 19125 B13R0.1171 C=CCCC(C)N(C)CCCCCC 270004a_106256046315_100000762624 [0,2,0,0,0,0|2,0,0]=4 19126 B13R0.1171 C=CCCCCC(=O)C(C)CCCC 1458a_100000725509_100011215482 [0,2,0,0,0,0|1,0,1]=4 19127 B13R0.1171 C=CCCCCC(=O)C(C)CCCC 1458a_100011215552_200011215066 [0,2,0,0,0,0|1,0,1]=4 19128 B13R0.1171 C=CCCCCC(=O)C(O)CCCC 1458a_100000720857_100011215482 [0,2,0,0,0,0|1,0,1]=4 19129 B13R0.1171 C=CCCCCN(C)C(C)CCCC 2230a_100012000471_200011215066 [0,2,0,0,0,0|2,0,0]=4 19130 B13R0.1171 C=CCCCCN(C)C(C)CCCC 269982a_100012000471_200011215066 [0,2,0,0,0,0|2,0,0]=4 19131 B13R0.1171 C=CCCCCN(C)C(C)CCCC 270004a_100012000471_100000210087 [0,2,0,0,0,0|2,0,0]=4 19132 B13R0.1171 C=CCCN(C)C(C)CCCCCC 2230a_100020639649_100011215978 [0,2,0,0,0,0|2,0,0]=4 19133 B13R0.1171 C=CCCN(C)C(C)CCCCCC 269982a_100020639649_100011215978 [0,2,0,0,0,0|2,0,0]=4 19134 B13R0.1171 C=CCCN(C)C(C)CCCCCC 270004a_100020639649_100000210826 [0,2,0,0,0,0|2,0,0]=4 19135 B13R0.119 C=CCCC(=O)CCCCCC(C)C 1458a_100000749702_100000210682 [0,2,0,0,0,0|1,0,1]=4 19136 B13R0.119 C=CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000754431 [0,2,0,0,0,0|1,0,1]=4 19137 B13R0.119 C=CCCC(C)OCCCCC(C)C 34a_100000765329_100011216152 [0,2,0,0,0,0|2,0,0]=4 19138 B13R0.119 C=CCCC(C)OCCCCC(C)C 7a_100000765329_100011216152 [0,2,0,0,0,0|2,0,0]=4 19139 B13R0.119 C=CCCN(C)CCCCCC(C)C 2230a_100020639649_100000210682 [0,2,0,0,0,0|2,0,0]=4 19140 B13R0.119 C=CCCN(C)CCCCCC(C)C 269982a_100020639649_100000210682 [0,2,0,0,0,0|2,0,0]=4 19141 B13R0.119 CC(=O)CCCCOC(C)CCCCl 34a_200000718107_100009817362 [0,2,0,0,0,0|2,0,0]=4 19142 B13R0.119 CC(=O)CCCCOC(C)CCCCl 7a_200000718107_100000735457 [0,2,0,0,0,0|2,0,0]=4 19143 B13R0.119 CC(=O)CCCNC[C@H](C)CCCO 34a_100160569302_100000685027 [0,2,0,0,0,0|2,0,0]=4 19144 B13R0.119 CCCCC(=O)CCCCCC(=O)N 1458a_100000210183_100009817443 [0,2,0,0,0,0|0,0,1]=3 19145 B13R0.119 CCCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210211 [0,2,0,0,0,0|1,0,1]=4 19146 B13R0.119 CCCCC(=O)CCCCOC(=O)C 1458a_100000210183_100000033659 [0,2,0,0,0,0|1,0,1]=4 19147 B13R0.119 CCCCC(=O)CCCCSC(=O)C 1458a_100000210183_200010402107 [0,2,0,0,0,0|1,0,1]=4 19148 B13R0.119 CCCCC(=O)NCCCCC(=O)N 11a_100000696515_100000210183 [0,2,0,0,0,0|1,0,1]=4 19149 B13R0.119 CCCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210183 [0,2,0,0,0,0|1,0,1]=4 19150 B13R0.119 CCCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210183 [0,2,0,0,0,0|1,0,1]=4 19151 B13R0.119 CCCCC(=O)NCCCCC(=O)N 527a_100000696515_100000210183 [0,2,0,0,0,0|1,0,1]=4 19152 B13R0.119 CCCCC(C)COCCCC(=O)C 34a_100011995851_100000685027 [0,2,0,0,0,0|1,0,0]=3 19153 B13R0.119 CCCCC(C)COCCCC(=O)C 7a_100011995851_100011215641 [0,2,0,0,0,0|1,0,0]=3 19154 B13R0.119 CCCCC(C)COCCCC(=O)N 34a_100011995851_100102525003 [0,2,0,0,0,0|1,0,0]=3 19155 B13R0.119 CCCCC(C)COCCCC(=O)N 7a_100011995851_100102525003 [0,2,0,0,0,0|1,0,0]=3 19156 B13R0.119 CCCCC(C)COCCNC(=O)C 7a_100011995851_100000189650 [0,2,0,0,0,0|2,0,0]=4 19157 B13R0.119 CCCCC(C)COCCNC(=O)N 7a_100011995851_200000034859 [0,2,0,0,0,0|2,0,0]=4 19158 B13R0.119 CCCCC(C)COCCOC(=O)C 34a_100011995851_100009814007 [0,2,0,0,0,0|2,0,0]=4 19159 B13R0.119 CCCCC(C)COCCOC(=O)C 7a_100011995851_100009814007 [0,2,0,0,0,0|2,0,0]=4 19160 B13R0.119 CCCCC(C)COCCOC(=O)N 34a_100011995851_200011214921 [0,2,0,0,0,0|2,0,0]=4 19161 B13R0.119 CCCCC(C)COCCOC(=O)N 7a_100011995851_200011214921 [0,2,0,0,0,0|2,0,0]=4 19162 B13R0.119 CCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210087 [0,2,0,0,0,0|1,0,0]=3 19163 B13R0.119 CCCCC(C)NCCCCC(=O)N 34a_100000696515_200011215066 [0,2,0,0,0,0|1,0,0]=3 19164 B13R0.119 CCCCC(C)NCCCNC(=O)C 270004a_100000736810_100000210087 [0,2,0,0,0,0|2,0,0]=4 19165 B13R0.119 CCCCC(C)NCCCNC(=O)C 34a_100000736810_200011215066 [0,2,0,0,0,0|2,0,0]=4 19166 B13R0.119 CCCCC(C)NCCCSC(=O)C 2230a_100000126638_100000038929 [0,2,0,0,0,0|2,0,0]=4 19167 B13R0.119 CCCCC(C)NCCOCC(=O)N 2230a_100000126638_100000076697 [0,2,0,0,0,0|2,0,0]=4 19168 B13R0.119 CCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011215066 [0,2,0,0,0,0|2,0,0]=4 19169 B13R0.119 CCCCC(C)OCCCCC(=O)C 34a_100000687866_100009817362 [0,2,0,0,0,0|1,0,0]=3 19170 B13R0.119 CCCCC(C)OCCCCC(=O)C 7a_100000687866_100000735457 [0,2,0,0,0,0|1,0,0]=3 19171 B13R0.119 CCCCC(C)OCCCCC(=O)N 34a_100012022536_200011215066 [0,2,0,0,0,0|1,0,0]=3 19172 B13R0.119 CCCCC(C)OCCCCC(=O)N 7a_100012022536_200011215066 [0,2,0,0,0,0|1,0,0]=3 19173 B13R0.119 CCCCC(C)OCCCC[N+](=O)[O-] 34a_200015379883_200011215066 [0,2,0,0,0,0|2,0,0]=4 19174 B13R0.119 CCCCC(C)OCCCC[N+](=O)[O-] 7a_200015379883_200011215066 [0,2,0,0,0,0|2,0,0]=4 19175 B13R0.119 CCCCC(C)OCCCNC(=O)C 34a_100000752032_200011215066 [0,2,0,0,0,0|2,0,0]=4 19176 B13R0.119 CCCCC(C)OCCCOC(=O)C 34a_100000687866_100000042594 [0,2,0,0,0,0|2,0,0]=4 19177 B13R0.119 CCCCC(C)OCCCOC(=O)C 7a_100000687866_100000042594 [0,2,0,0,0,0|2,0,0]=4 19178 B13R0.119 CCCCC(C)OCCCSC(=O)C 34a_100000687866_100000038929 [0,2,0,0,0,0|2,0,0]=4 19179 B13R0.119 CCCCC(C)OCCCSC(=O)C 7a_100000687866_100000038929 [0,2,0,0,0,0|2,0,0]=4 19180 B13R0.119 CCCCC(C)OCCOCC(=O)N 34a_100000687866_100000076697 [0,2,0,0,0,0|2,0,0]=4 19181 B13R0.119 CCCCC(C)OCCOCC(=O)N 7a_100000687866_100000076697 [0,2,0,0,0,0|2,0,0]=4 19182 B13R0.119 CCCCC(C)SCCCCC(=O)C 62a_100000735457_200011215066 [0,2,0,0,0,0|1,0,0]=3 19183 B13R0.119 CCCCC(C)SCCCCC(=O)C 62a_200011215066_100000735457 [0,2,0,0,0,0|1,0,0]=3 19184 B13R0.119 CCCCC(C)SCCCOC(=O)C 62a_100000042594_200011215066 [0,2,0,0,0,0|2,0,0]=4 19185 B13R0.119 CCCCC(C)SCCCOC(=O)C 62a_200011215066_100000042594 [0,2,0,0,0,0|2,0,0]=4 19186 B13R0.119 CCCCC(C)SCCCSC(=O)C 62a_100000038929_200011215066 [0,2,0,0,0,0|2,0,0]=4 19187 B13R0.119 CCCCC(C)SCCCSC(=O)C 62a_200011215066_100000038929 [0,2,0,0,0,0|2,0,0]=4 19188 B13R0.119 CCCCC(C)SCCOCC(=O)N 62a_100000076697_200011215066 [0,2,0,0,0,0|2,0,0]=4 19189 B13R0.119 CCCCC(C)SCCOCC(=O)N 62a_200011215066_100000076697 [0,2,0,0,0,0|2,0,0]=4 19190 B13R0.119 CCCCN(C)CCCCCC(=O)N 2230a_100000207549_100009817443 [0,2,0,0,0,0|1,0,0]=3 19191 B13R0.119 CCCCN(C)CCCCCC(=O)N 269982a_100000207549_100009817443 [0,2,0,0,0,0|1,0,0]=3 19192 B13R0.119 CCCCN(C)CCCCOC(=O)C 269982a_100000207549_100000033659 [0,2,0,0,0,0|2,0,0]=4 19193 B13R0.119 CCCCN(C)CCCCSC(=O)C 2230a_100000207549_200010402107 [0,2,0,0,0,0|2,0,0]=4 19194 B13R0.119 CCCCN(C)CCCCSC(=O)C 269982a_100000207549_200010402107 [0,2,0,0,0,0|2,0,0]=4 19195 B13R0.119 CCCC[C@H](N)COCCCC(=O)C 34a_100011934283_100000685027 [0,2,0,0,0,0|1,0,0]=3 19196 B13R0.119 CCCC[C@H](N)COCCCC(=O)N 34a_100011934283_100102525003 [0,2,0,0,0,0|1,0,0]=3 19197 B13R0.119 CCCC[C@H](N)COCCOC(=O)C 34a_100011934283_100009814007 [0,2,0,0,0,0|2,0,0]=4 19198 B13R0.119 CCCC[C@H](N)COCCOC(=O)N 34a_100011934283_200011214921 [0,2,0,0,0,0|2,0,0]=4 19199 B13R0.119 CCCOC(C)CNCCCC(=O)C 34a_100015185124_100000685027 [0,2,0,0,0,0|2,0,0]=4 19200 B13R0.119 CCCOC(C)CNCCCC(=O)N 34a_100015185124_100102525003 [0,2,0,0,0,0|2,0,0]=4 19201 B13R0.119 CCOCC(=O)CCCCCC(=O)N 1458a_100000211967_100009817443 [0,2,0,0,0,0|1,0,1]=4 19202 B13R0.119 CCOCC(C)OCCCCC(=O)C 34a_100000718985_100009817362 [0,2,0,0,0,0|2,0,0]=4 19203 B13R0.119 CCOCC(C)OCCCCC(=O)C 7a_100000718985_100000735457 [0,2,0,0,0,0|2,0,0]=4 19204 B13R0.119 CCOCC(O)CNCCCC(=O)C 34a_102515437182_100000685027 [0,2,0,0,0,0|2,0,0]=4 19205 B13R0.119 CCOCC(O)CNCCCC(=O)N 34a_102515437182_100102525003 [0,2,0,0,0,0|2,0,0]=4 19206 B13R0.119 CCSCC(=O)CCCCCC(=O)N 1458a_100000230394_100009817443 [0,2,0,0,0,0|1,0,1]=4 19207 B13R0.119 CCSCC(C)NCCCCC(=O)N 270004a_100000696515_200011216171 [0,2,0,0,0,0|2,0,0]=4 19208 B13R0.119 CN(CCCO)CCCCCC(=O)N 2230a_100000213112_100009817443 [0,2,0,0,0,0|2,0,0]=4 19209 B13R0.119 CN(CCCO)CCCCCC(=O)N 269982a_100000213112_100009817443 [0,2,0,0,0,0|2,0,0]=4 19210 B13R0.119 COCCC(=O)CCCCCC(=O)N 1458a_100000749529_100009817443 [0,2,0,0,0,0|1,0,1]=4 19211 B13R0.119 COCCC(C)NCCCCC(=O)N 270004a_100000696515_100000742357 [0,2,0,0,0,0|2,0,0]=4 19212 B13R0.119 COCCN(C)CCCCCC(=O)N 2230a_100000743101_100009817443 [0,2,0,0,0,0|2,0,0]=4 19213 B13R0.119 COCCN(C)CCCCCC(=O)N 269982a_100000743101_100009817443 [0,2,0,0,0,0|2,0,0]=4 19214 B13R0.119 CSCCC(=O)CCCCCC(=O)N 1458a_100000174002_100009817443 [0,2,0,0,0,0|1,0,1]=4 19215 B13R0.119 CSCCC(C)NCCCCC(=O)N 270004a_100000696515_100011217047 [0,2,0,0,0,0|2,0,0]=4 19216 B13R0.119 CSCCN(C)CCCCCC(=O)N 2230a_100000686725_100009817443 [0,2,0,0,0,0|2,0,0]=4 19217 B13R0.119 CSCCN(C)CCCCCC(=O)N 269982a_100000686725_100009817443 [0,2,0,0,0,0|2,0,0]=4 19218 B13R0.119 CSCC[C@H](N)COCCCC(=O)C 34a_100011827619_100000685027 [0,2,0,0,0,0|2,0,0]=4 19219 B13R0.119 CSCC[C@H](N)COCCCC(=O)N 34a_100011827619_100102525003 [0,2,0,0,0,0|2,0,0]=4 19220 B13R0.119 C[C@H](CCCO)CNCCCC(=O)N 34a_100160569302_100102525003 [0,2,0,0,0,0|2,0,0]=4 19221 B13R0.154 C=C(C)CCC(=O)CCCCCCC 1458a_100000211969_100000730704 [0,2,0,0,0,0|1,0,1]=4 19222 B13R0.154 C=C(C)CCC(=O)CCCCCCC 1458a_200000688413_100000210614 [0,2,0,0,0,0|1,0,1]=4 19223 B13R0.154 C=C(C)CCC(C)NCCCCCC 270004a_100000210581_100011215600 [0,2,0,0,0,0|2,0,0]=4 19224 B13R0.154 C=C(C)CCN(C)CCCCCCC 2230a_100000228206_100000730704 [0,2,0,0,0,0|2,0,0]=4 19225 B13R0.154 C=C(C)CCN(C)CCCCCCC 269982a_100000228206_100000730704 [0,2,0,0,0,0|2,0,0]=4 19226 B13R0.154 C=C(C)COC(C)CCCCCCC 34a_100000210245_200011218727 [0,2,0,0,0,0|2,0,0]=4 19227 B13R0.154 C=C(C)COC(C)CCCCCCC 34a_200011215852_100000748629 [0,2,0,0,0,0|2,0,0]=4 19228 B13R0.154 C=C(C)COC(C)CCCCCCC 7a_200011215852_100000748629 [0,2,0,0,0,0|2,0,0]=4 19229 B13R0.154 C=C(F)COC(C)CCCCCCC 34a_200010262243_200011218727 [0,2,0,0,0,0|2,0,0]=4 19230 B13R0.154 C=C(F)COC(C)CCCCCCC 34a_200011215852_100009893438 [0,2,0,0,0,0|2,0,0]=4 19231 B13R0.154 C=C(F)COC(C)CCCCCCC 7a_200011215852_100000042424 [0,2,0,0,0,0|2,0,0]=4 19232 B13R0.154 C=C(F)CSC(C)CCCCCCC 62a_100000042424_200011218727 [0,2,0,0,0,0|2,0,0]=4 19233 B13R0.154 C=C(F)CSC(C)CCCCCCC 62a_200011218727_100000042424 [0,2,0,0,0,0|2,0,0]=4 19234 B13R0.154 C=CCCCCCC(=O)CCC(C)C 1458a_100000181311_100000700193 [0,2,0,0,0,0|1,0,1]=4 19235 B13R0.154 C=CCCCCCC(=O)CCC(C)C 1458a_100011934241_100000210312 [0,2,0,0,0,0|1,0,1]=4 19236 B13R0.154 C=CCCCCCC(=O)CCC(C)O 1458a_100011934241_100012276601 [0,2,0,0,0,0|1,0,1]=4 19237 B13R0.154 C=CCCCCCN(C)CCC(C)C 2230a_100000742789_100000700193 [0,2,0,0,0,0|2,0,0]=4 19238 B13R0.154 C=CCCCCCN(C)CCC(C)C 269982a_100000742789_100000700193 [0,2,0,0,0,0|2,0,0]=4 19239 B13R0.154 C=CCCCCNC(C)CCC(C)C 2230a_100000703577_100011261404 [0,2,0,0,0,0|2,0,0]=4 19240 B13R0.154 C=CCCCCNC(C)CCC(C)C 2230a_100138410893_100011215482 [0,2,0,0,0,0|2,0,0]=4 19241 B13R0.154 C=CCCCCNC(C)CCC(C)C 270004a_100000703577_100000210476 [0,2,0,0,0,0|2,0,0]=4 19242 B13R0.154 C=CCCCCNC(C)CCC(C)C 34a_100000703577_100011261404 [0,2,0,0,0,0|2,0,0]=4 19243 B13R0.154 C=CCCCCOC(C)CCC(C)C 34a_100000766645_100011261404 [0,2,0,0,0,0|2,0,0]=4 19244 B13R0.154 C=CCCCCOC(C)CCC(C)C 34a_100011215350_100011215482 [0,2,0,0,0,0|2,0,0]=4 19245 B13R0.154 C=CCCCCOC(C)CCC(C)C 7a_100011215350_100011215482 [0,2,0,0,0,0|2,0,0]=4 19246 B13R0.154 C=CCCCCSC(C)CCC(C)C 62a_100011215482_100011261404 [0,2,0,0,0,0|2,0,0]=4 19247 B13R0.154 C=CCCCCSC(C)CCC(C)C 62a_100011261404_100011215482 [0,2,0,0,0,0|2,0,0]=4 19248 B13R0.154 CC(C)CCC(C)NCCCCC=O 2230a_100138410893_100000139335 [0,2,0,0,0,0|1,0,0]=3 19249 B13R0.154 CC(C)CCC(C)OCCCCC=O 7a_100011215350_100000139335 [0,2,0,0,0,0|1,0,0]=3 19250 B13R0.154 CC(C)CCC(C)SCCCCC=O 62a_100000139335_100011261404 [0,2,0,0,0,0|1,0,0]=3 19251 B13R0.154 CC(C)CCC(C)SCCCCC=O 62a_100011261404_100000139335 [0,2,0,0,0,0|1,0,0]=3 19252 B13R0.154 CC(C)CCN(C)CCCCCC=O 2230a_100000742789_100000139337 [0,2,0,0,0,0|1,0,0]=3 19253 B13R0.154 CC(C)CCN(C)CCCCCC=O 269982a_100000742789_100000139337 [0,2,0,0,0,0|1,0,0]=3 19254 B13R0.154 CCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210614 [0,2,0,0,0,0|0,0,1]=3 19255 B13R0.154 CCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210614 [0,2,0,0,0,0|1,0,1]=4 19256 B13R0.154 CCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210614 [0,2,0,0,0,0|1,0,1]=4 19257 B13R0.154 CCCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210614 [0,2,0,0,0,0|1,0,1]=4 19258 B13R0.154 CCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210614 [0,2,0,0,0,0|1,0,1]=4 19259 B13R0.154 CCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210614 [0,2,0,0,0,0|1,0,1]=4 19260 B13R0.154 CCCCCCCC(=O)NCC(=O)C 1458a_100000691742_200000210301 [0,2,0,0,0,0|1,0,1]=4 19261 B13R0.154 CCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000211969 [0,2,0,0,0,0|1,0,1]=4 19262 B13R0.154 CCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000211969 [0,2,0,0,0,0|1,0,1]=4 19263 B13R0.154 CCCCCCCC(=O)NCC(=O)N 527a_100000711301_100000211969 [0,2,0,0,0,0|1,0,1]=4 19264 B13R0.154 CCCCCCCC(=O)NCC(=O)[13CH3] 1458a_100000691742_200025704644 [0,2,0,0,0,0|1,0,1]=4 19265 B13R0.154 CCCCCCCC(=O)OCC(=O)C 1458a_100000070787_100009852258 [0,2,0,0,0,0|1,0,1]=4 19266 B13R0.154 CCCCCCCC(C)NCC(=O)N 2230a_100000711301_200011218727 [0,2,0,0,0,0|1,0,0]=3 19267 B13R0.154 CCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011218727 [0,2,0,0,0,0|1,0,0]=3 19268 B13R0.154 CCCCCCCC(C)OCC(=O)C 34a_100000211253_200011218727 [0,2,0,0,0,0|1,0,0]=3 19269 B13R0.154 CCCCCCCC(C)OCC(=O)N 34a_200011215852_100000187820 [0,2,0,0,0,0|1,0,0]=3 19270 B13R0.154 CCCCCCCC(C)OCC(=O)N 7a_200011215852_100000187820 [0,2,0,0,0,0|1,0,0]=3 19271 B13R0.154 CCCCCCCC(C)OCC(=O)[O-] 34a_200011215852_100020667443 [0,2,0,0,0,0|1,0,0]=3 19272 B13R0.154 CCCCCCCC(C)OC[N+](=O)[O-] 34a_200011215852_100000761209 [0,2,0,0,0,0|2,0,0]=4 19273 B13R0.154 CCCCCCCC(C)SCC(=O)N 62a_100000747473_200011218727 [0,2,0,0,0,0|1,0,0]=3 19274 B13R0.154 CCCCCCCC(C)SCC(=O)N 62a_200011218727_100000747473 [0,2,0,0,0,0|1,0,0]=3 19275 B13R0.154 CCCCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218727 [0,2,0,0,0,0|1,0,0]=3 19276 B13R0.154 CCCCCCCC(C)SCC(=O)[O-] 62a_200011218727_100020667443 [0,2,0,0,0,0|1,0,0]=3 19277 B13R0.154 CCCCCCCC(C)SC[N+](=O)[O-] 62a_200011218727_100000761209 [0,2,0,0,0,0|2,0,0]=4 19278 B13R0.154 CCCCCCCN(C)CCC(=O)C 269982a_100000228206_100000053229 [0,2,0,0,0,0|1,0,0]=3 19279 B13R0.154 CCCCCCCN(C)CCC(=O)N 2230a_100000228206_100000744528 [0,2,0,0,0,0|1,0,0]=3 19280 B13R0.154 CCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210681 [0,2,0,0,0,0|1,0,0]=3 19281 B13R0.154 CCCCCCCN(C)CCC(=O)N 269982a_100000228206_100000744528 [0,2,0,0,0,0|1,0,0]=3 19282 B13R0.154 CCCCCCCN(C)COC(=O)C 269982a_100000228206_100000076356 [0,2,0,0,0,0|2,0,0]=4 19283 B13R0.154 CCCCCCNC(=O)CCC(=O)N 240690a_100000210581_100011215257 [0,2,0,0,0,0|1,0,1]=4 19284 B13R0.154 CCCCCCNC(=O)CCC(=O)N 527a_100000210581_100011215257 [0,2,0,0,0,0|1,0,1]=4 19285 B13R0.154 CCCCCCNC(C)COC(=O)C 270004a_100000210581_100000000629 [0,2,0,0,0,0|2,0,0]=4 19286 B13R0.154 CCCCCNCC(C)CSC(=O)C 2230a_100000209983_200000116872 [0,2,0,0,0,0|2,0,0]=4 19287 B13R0.154 CCCCCOCC(C)CSC(=O)C 34a_100000210253_200000116872 [0,2,0,0,0,0|2,0,0]=4 19288 B13R0.154 CCCCCOCC(C)CSC(=O)C 7a_100000210253_200000116872 [0,2,0,0,0,0|2,0,0]=4 19289 B13R0.154 CCCCCOCC(O)COC(=O)C 34a_100000210253_200000139349 [0,2,0,0,0,0|2,0,0]=4 19290 B13R0.154 CCCCCOCC(O)COC(=O)C 7a_100000210253_200000139349 [0,2,0,0,0,0|2,0,0]=4 19291 B13R0.154 CCCCCSCC(C)CSC(=O)C 62a_100000210326_200000116872 [0,2,0,0,0,0|2,0,0]=4 19292 B13R0.154 CCCCCSCC(C)CSC(=O)C 62a_200000116872_100000210326 [0,2,0,0,0,0|2,0,0]=4 19293 B13R0.154 CCCCCSCC(O)COC(=O)C 62a_100000210326_200000139349 [0,2,0,0,0,0|2,0,0]=4 19294 B13R0.154 CCCCCSCC(O)COC(=O)C 62a_200000139349_100000210326 [0,2,0,0,0,0|2,0,0]=4 19295 B13R0.154 CCCCOCCC(=O)CCC(=O)N 1458a_100011215257_100000743108 [0,2,0,0,0,0|1,0,1]=4 19296 B13R0.154 CCCCOCCN(C)CCC(=O)N 2230a_100000730477_100000743108 [0,2,0,0,0,0|2,0,0]=4 19297 B13R0.154 CN(C)CCN(C)CCCCCC=O 269982a_100000225618_100000139337 [0,2,0,0,0,0|2,0,0]=4 19298 B13R0.154 CN(CCCCCCF)CCC(=O)N 2230a_100000730477_100015922095 [0,2,0,0,0,0|2,0,0]=4 19299 B13R0.154 CN(CCCCCCO)CCC(=O)N 2230a_100000730477_100000766143 [0,2,0,0,0,0|2,0,0]=4 19300 B13R0.154 NC(=O)CCC(=O)CCCCCCF 1458a_100011215257_100015922095 [0,2,0,0,0,0|1,0,1]=4 19301 B13R0.154 NC(=O)CCC(=O)CCCCCCO 1458a_100011215257_100000766143 [0,2,0,0,0,0|1,0,1]=4 19302 B13R0.176 C=CCCC(=O)CCC(C)CCCC 1458a_100000033779_100000754431 [0,2,0,0,0,0|1,0,1]=4 19303 B13R0.272 C#CC(CCCC)OCCCCC=C 34a_200011217967_100011215482 [0,2,0,0,0,0|2,0,0]=4 19304 B13R0.272 C#CC(CCCC)OCCCCC=C 7a_200011217967_100011215482 [0,2,0,0,0,0|2,0,0]=4 19305 B13R0.272 C#CC(CCCC)OCCCCC=O 7a_200011217967_100000139335 [0,2,0,0,0,0|1,0,0]=3 19306 B13R0.272 C=CC(CCCC)OCCCCC=O 7a_200011215037_100000139335 [0,2,0,0,0,0|1,0,0]=3 19307 B13R0.272 C=CC(CCCCCCC)OCC=O 34a_200011934235_200009817547 [0,2,0,0,0,0|1,0,0]=3 19308 B13R0.272 C=CC(CCCCCCC)OCC=O 7a_200011934235_200015260668 [0,2,0,0,0,0|1,0,0]=3 19309 B13R0.272 C=CCCCCCN(CC)CCCC 2230a_100000207695_100000700193 [0,2,0,0,0,0|2,0,0]=4 19310 B13R0.272 C=CCCCCCN(CC)CCCC 269982a_100000207695_100000700193 [0,2,0,0,0,0|2,0,0]=4 19311 B13R0.272 C=CCCCCNC(CC)CCCC 270004a_100000703577_100000753412 [0,2,0,0,0,0|2,0,0]=4 19312 B13R0.272 C=CCCCCNC(CC)CCCC 34a_100000703577_200011216223 [0,2,0,0,0,0|2,0,0]=4 19313 B13R0.272 C=CCCCCN[C@H](CO)CCCC 2230a_100011934283_100011215482 [0,2,0,0,0,0|2,0,0]=4 19314 B13R0.272 C=CCCCCN[C@H](CO)CCCC 34a_100011934283_100011215482 [0,2,0,0,0,0|2,0,0]=4 19315 B13R0.272 C=CCCCCOC(C=C)CCCC 34a_200011215037_100011215482 [0,2,0,0,0,0|2,0,0]=4 19316 B13R0.272 C=CCCCCOC(C=C)CCCC 7a_200011215037_100011215482 [0,2,0,0,0,0|2,0,0]=4 19317 B13R0.272 C=CCCCCOC(CC)CCCC 34a_100000766645_200011216223 [0,2,0,0,0,0|2,0,0]=4 19318 B13R0.272 C=CCCCCOC(CC)CCCC 34a_100011215227_100011215482 [0,2,0,0,0,0|2,0,0]=4 19319 B13R0.272 C=CCCCCOC(CC)CCCC 7a_100000766645_200011216223 [0,2,0,0,0,0|2,0,0]=4 19320 B13R0.272 C=CCCCCOC(CC)CCCC 7a_100011215227_100011215482 [0,2,0,0,0,0|2,0,0]=4 19321 B13R0.272 C=CCCCNCC(CC)CCCC 2230a_100000209976_100011713584 [0,2,0,0,0,0|2,0,0]=4 19322 B13R0.272 C=CCCCNCC(CC)CCCC 2230a_100000700776_100000211942 [0,2,0,0,0,0|2,0,0]=4 19323 B13R0.272 C=CCCCNCC(CC)CCCC 269862a_100000700776_100011219736 [0,2,0,0,0,0|2,0,0]=4 19324 B13R0.272 C=CCCCNCC(CC)CCCC 270004a_100000700776_100011219736 [0,2,0,0,0,0|2,0,0]=4 19325 B13R0.272 C=CCCCNCC(CC)CCCC 34a_100000700776_100000211942 [0,2,0,0,0,0|2,0,0]=4 19326 B13R0.272 C=CCCCOCC(CC)CCCC 34a_100000210273_100000757094 [0,2,0,0,0,0|2,0,0]=4 19327 B13R0.272 C=CCCCOCC(CC)CCCC 34a_100000758997_100000211942 [0,2,0,0,0,0|2,0,0]=4 19328 B13R0.272 C=CCCCOCC(CC)CCCC 7a_100000210273_100000757094 [0,2,0,0,0,0|2,0,0]=4 19329 B13R0.272 C=CCCCOCC(CC)CCCC 7a_100000758997_100000211942 [0,2,0,0,0,0|2,0,0]=4 19330 B13R0.272 C=CCCCSCC(CC)CCCC 62a_100000211942_100000757094 [0,2,0,0,0,0|2,0,0]=4 19331 B13R0.272 C=CCCCSCC(CC)CCCC 62a_100011713584_100000211942 [0,2,0,0,0,0|2,0,0]=4 19332 B13R0.272 C=CCCN(CC)CCCCCCC 2230a_100000228213_100000754431 [0,2,0,0,0,0|2,0,0]=4 19333 B13R0.272 C=CCCN(CC)CCCCCCC 269982a_100000228213_100000754431 [0,2,0,0,0,0|2,0,0]=4 19334 B13R0.272 C=CCNC(CC)CCCCCCC 270004a_100020586998_200011217162 [0,2,0,0,0,0|2,0,0]=4 19335 B13R0.272 C=CCOC(C=C)CCCCCCC 34a_200011934235_100015514636 [0,2,0,0,0,0|2,0,0]=4 19336 B13R0.272 C=CCOC(C=C)CCCCCCC 7a_200011934235_100015514636 [0,2,0,0,0,0|2,0,0]=4 19337 B13R0.272 C=CCOC(CC)CCCCCCC 34a_200011217053_100015514636 [0,2,0,0,0,0|2,0,0]=4 19338 B13R0.272 C=CCOC(CC)CCCCCCC 7a_200011217053_100015514636 [0,2,0,0,0,0|2,0,0]=4 19339 B13R0.272 CCCCC(CC)CNCCCC=O 2230a_100000209976_200011292268 [0,2,0,0,0,0|1,0,0]=3 19340 B13R0.272 CCCCC(CC)COCCCC=O 7a_100000210273_200011292268 [0,2,0,0,0,0|1,0,0]=3 19341 B13R0.272 CCCCC(CC)CSCCCC=O 62a_100000211942_200011292268 [0,2,0,0,0,0|1,0,0]=3 19342 B13R0.272 CCCCC(CC)CSCCCC=O 62a_200011292268_100000211942 [0,2,0,0,0,0|1,0,0]=3 19343 B13R0.272 CCCCC(CC)OCCCCC=O 7a_100011215227_100000139335 [0,2,0,0,0,0|1,0,0]=3 19344 B13R0.272 CCCCC(CC)SCCCCC=O 62a_100000139335_200011216223 [0,2,0,0,0,0|1,0,0]=3 19345 B13R0.272 CCCCC(CC)SCCCCC=O 62a_200011216223_100000139335 [0,2,0,0,0,0|1,0,0]=3 19346 B13R0.272 CCCCCCCC(CC)OCC=O 34a_200011217053_200009817547 [0,2,0,0,0,0|1,0,0]=3 19347 B13R0.272 CCCCCCCC(CC)OCC=O 7a_200011217053_200015260668 [0,2,0,0,0,0|1,0,0]=3 19348 B13R0.272 CCCCCCCC(CCCC)NC 270004a_106832991635_200011217844 [0,2,0,0,0,0|1,0,1]=4 19349 B13R0.272 CCCCN(CC)CCCCCC=O 2230a_100000207695_100000139337 [0,2,0,0,0,0|1,0,0]=3 19350 B13R0.272 CCCCN(CC)CCCCCC=O 269982a_100000207695_100000139337 [0,2,0,0,0,0|1,0,0]=3 19351 B13R0.272 CCCC[C@@H](CO)NCCCCC=O 2230a_100011934283_100000139335 [0,2,0,0,0,0|1,0,0]=3 19352 B13R0.272 CCN(CCCCCC=O)CCOC 2230a_100000731262_100000139337 [0,2,0,0,0,0|2,0,0]=4 19353 B13R0.272 CCN(CCCCCC=O)CCOC 269982a_100000731262_100000139337 [0,2,0,0,0,0|2,0,0]=4 19354 B13R0.272 CSCC[C@@H](CO)NCCCCC=O 2230a_100011827619_100000139335 [0,2,0,0,0,0|2,0,0]=4 19355 B13R0.274 C=CC(C)CC(=O)CCCCCCC 1458a_100011934298_100000210614 [0,2,0,0,0,0|1,0,1]=4 19356 B13R0.274 C=CC(C)OC(C)CCCCCCC 34a_100000695699_200011218727 [0,2,0,0,0,0|2,0,0]=4 19357 B13R0.274 C=CC(O)CN(C)CCCCCCC 2230a_100000228206_100000730141 [0,2,0,0,0,0|2,0,0]=4 19358 B13R0.274 C=CCCCCCC(=O)CC(C)CC 1458a_100000708755_100000700193 [0,2,0,0,0,0|1,0,1]=4 19359 B13R0.274 C=CCCCCCC(=O)CC(C)CC 1458a_100011934241_100000748023 [0,2,0,0,0,0|1,0,1]=4 19360 B13R0.274 C=CCCCCCC(=O)CC(O)CC 1458a_100011667805_100000700193 [0,2,0,0,0,0|1,0,1]=4 19361 B13R0.274 C=CCCCCCC(=O)CC(O)CC 1458a_100011934241_100011218378 [0,2,0,0,0,0|1,0,1]=4 19362 B13R0.274 C=CCCCCCC(=O)C[C@@H](C)CC 1458a_100011934241_100009816398 [0,2,0,0,0,0|1,0,1]=4 19363 B13R0.274 C=CCCCCCN(C)CC(C)CC 2230a_100000753921_100000700193 [0,2,0,0,0,0|2,0,0]=4 19364 B13R0.274 C=CCCCCCN(C)CC(C)CC 269982a_100000753921_100000700193 [0,2,0,0,0,0|2,0,0]=4 19365 B13R0.274 C=CCCCCNC(C)CC(C)CC 2230a_100000763565_100011215482 [0,2,0,0,0,0|2,0,0]=4 19366 B13R0.274 C=CCCCCNC(C)CC(C)CC 270004a_100000703577_100011710205 [0,2,0,0,0,0|2,0,0]=4 19367 B13R0.274 CCC(C)CC(C)NCCCCC=O 2230a_100000763565_100000139335 [0,2,0,0,0,0|1,0,0]=3 19368 B13R0.274 CCC(C)CN(C)CCCCCC=O 2230a_100000753921_100000139337 [0,2,0,0,0,0|1,0,0]=3 19369 B13R0.274 CCC(C)CN(C)CCCCCC=O 269982a_100000753921_100000139337 [0,2,0,0,0,0|1,0,0]=3 19370 B13R0.274 CN(CCCCCC=O)CC(O)CO 2230a_100011216503_100000139337 [0,2,0,0,0,0|2,0,0]=4 19371 B13R0.274 CN(CCCCCC=O)CC(O)CO 269982a_100011216503_100000139337 [0,2,0,0,0,0|2,0,0]=4 19372 B13R0.689 C=CCCCCOC(C)(C)CCCC 7a_100011219641_100011215482 [0,2,0,0,0,0|2,0,0]=4 19373 B13R0.689 C=CCCCOCC(C)(C)CCCC 7a_200011995781_100000757094 [0,2,0,0,0,0|2,0,0]=4 19374 B13R0.689 C=CCOC(C)(C)CCCCCCC 34a_200000210373_200000046972 [0,2,0,0,0,0|2,0,0]=4 19375 B13R0.689 CC(C)(CCCBr)OCCCCC=O 7a_100009888830_100000139335 [0,2,0,0,0,0|2,0,0]=4 19376 B13R0.689 CCCCC(C)(C)COCCCC=O 7a_200011995781_200011292268 [0,2,0,0,0,0|1,0,0]=3 19377 B13R0.689 CCCCC(C)(C)OCCCCC=O 7a_100011219641_100000139335 [0,2,0,0,0,0|1,0,0]=3 19378 B13R0.689 CCCCCCCC(C)(C)SCC=O 62a_200000046972_200015260668 [0,2,0,0,0,0|1,0,0]=3 19379 B13R0.689 CCCCCCCC(C)(C)SCC=O 62a_200015260668_200000046972 [0,2,0,0,0,0|1,0,0]=3 19380 B13R0.689 CCCC[Si](C)(C)CSCCCC=O 62a_200000073895_200011292268 [0,2,0,0,0,0|1,1,0]=4 19381 B13R0.689 CCCC[Si](C)(C)CSCCCC=O 62a_200011292268_200000073895 [0,2,0,0,0,0|1,1,0]=4 19382 B13R0.150 C=C(C)C(=O)CCCCCCCCC 1458a_100000185857_100000210670 [0,2,0,0,0,0|1,0,1]=4 19383 B13R0.150 C=C(C)C(C)NCCCCCCCC 269862a_100000229939_100011216138 [0,2,0,0,0,0|2,0,0]=4 19384 B13R0.150 C=CCCCCCCCC(=O)C(C)C 1458a_100000210198_100012355270 [0,2,0,0,0,0|1,0,1]=4 19385 B13R0.150 C=CCCCCCCCC(=O)C(C)C 1458a_100011216160_100000210206 [0,2,0,0,0,0|1,0,1]=4 19386 B13R0.150 C=CCCCCCCCC(=O)C(C)F 1458a_100000062450_100012355270 [0,2,0,0,0,0|1,0,1]=4 19387 B13R0.150 C=CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012355270 [0,2,0,0,0,0|1,0,1]=4 19388 B13R0.150 C=CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012355270 [0,2,0,0,0,0|1,0,1]=4 19389 B13R0.150 C=CCCCCCCCN(C)C(C)C 269982a_200000211004_100012355270 [0,2,0,0,0,0|2,0,0]=4 19390 B13R0.150 C=CCCCCCCNC(C)C(C)C 2230a_100000211541_100011215473 [0,2,0,0,0,0|2,0,0]=4 19391 B13R0.150 C=CCCCCCCOC(C)C(C)C 7a_100000748068_100011215473 [0,2,0,0,0,0|2,0,0]=4 19392 B13R0.150 C=CCCCCCNCC(O)C(C)C 2230a_100000759067_100000700193 [0,2,0,0,0,0|2,0,0]=4 19393 B13R0.150 C=CCCCCCNCC(O)C(C)C 34a_100000759067_100000700193 [0,2,0,0,0,0|2,0,0]=4 19394 B13R0.150 C=CCCCCCOC[C@H](N)C(C)C 34a_100011830312_100000700193 [0,2,0,0,0,0|2,0,0]=4 19395 B13R0.150 C=CCCCCOCCC(N)C(C)C 34a_100161115045_100011215482 [0,2,0,0,0,0|2,0,0]=4 19396 B13R0.150 CC(=O)C(C)COCCCCCC=O 7a_100000032740_100000139337 [0,2,0,0,0,0|1,0,1]=4 19397 B13R0.150 CC(=O)C(C)COCCCCCCF 34a_100000032740_100015922095 [0,2,0,0,0,0|2,0,0]=4 19398 B13R0.150 CC(=O)C(C)COCCCCCCF 7a_100000032740_100015922095 [0,2,0,0,0,0|2,0,0]=4 19399 B13R0.150 CC(=O)C(C)COCCCCCCO 34a_100000032740_100000766143 [0,2,0,0,0,0|2,0,0]=4 19400 B13R0.150 CC(=O)C(C)COCCCCCCO 7a_100000032740_100000766143 [0,2,0,0,0,0|2,0,0]=4 19401 B13R0.150 CC(=O)C(C)NCCCCCCCO 2230a_100011996573_100009814033 [0,2,0,0,0,0|2,0,0]=4 19402 B13R0.150 CC(=O)C(C)OCCCCCCCBr 7a_100000760002_100000179758 [0,2,0,0,0,0|2,0,0]=4 19403 B13R0.150 CC(=O)C(C)OCCCCCCCO 34a_100000212229_100000760002 [0,2,0,0,0,0|2,0,0]=4 19404 B13R0.150 CC(=O)C(C)SCCCCCCCO 62a_100000760002_100009814033 [0,2,0,0,0,0|2,0,0]=4 19405 B13R0.150 CC(=O)C(C)SCCCCCCCO 62a_100009814033_100000760002 [0,2,0,0,0,0|2,0,0]=4 19406 B13R0.150 CC(C)C(=O)CSCCCCCC=O 62a_100000139337_100000753385 [0,2,0,0,0,0|1,0,1]=4 19407 B13R0.150 CC(C)C(=O)CSCCCCCC=O 62a_100000753385_100000139337 [0,2,0,0,0,0|1,0,1]=4 19408 B13R0.150 CC(C)C(O)CNCCCCCC=O 2230a_100000759067_100000139337 [0,2,0,0,0,0|1,0,0]=3 19409 B13R0.150 CC(CNCCCCCCF)C(=O)O 269956a_100000749485_100015922095 [0,2,0,0,0,0|2,0,0]=4 19410 B13R0.150 CC(CNCCCCCCO)C(=O)O 269956a_100000749485_100000766143 [0,2,0,0,0,0|2,0,0]=4 19411 B13R0.150 CC(NCCCCCCCO)C(=O)N 2230a_100011996573_100000702099 [0,2,0,0,0,0|2,0,0]=4 19412 B13R0.150 CC(NCCCCCCCO)C(=O)N 34a_100011996573_100000702099 [0,2,0,0,0,0|2,0,0]=4 19413 B13R0.150 CC(OCCCCCCCBr)C(=O)N 34a_100000760002_100000702099 [0,2,0,0,0,0|2,0,0]=4 19414 B13R0.150 CC(OCCCCCCCBr)C(=O)N 7a_100000760002_100000702099 [0,2,0,0,0,0|2,0,0]=4 19415 B13R0.150 CC(OCCCCCCCN)C(=O)N 34a_100011996573_100000702099 [0,2,0,0,0,0|2,0,0]=4 19416 B13R0.150 CC(SCCCCCCCO)C(=O)N 62a_100000702099_100000760002 [0,2,0,0,0,0|2,0,0]=4 19417 B13R0.150 CC(SCCCCCCCO)C(=O)N 62a_100000760002_100000702099 [0,2,0,0,0,0|2,0,0]=4 19418 B13R0.150 CCCCCCCCCC(C)N(C)C 270004a_100102631434_100011215753 [0,2,0,0,0,0|2,0,0]=4 19419 B13R0.150 CCCCCCCCCN(C)C(=O)C 11a_100000232482_100015343762 [0,2,0,0,0,0|1,0,0]=3 19420 B13R0.150 CCCCCCCCCN(C)C(=O)C 1626a_100000232482_100015343762 [0,2,0,0,0,0|1,0,0]=3 19421 B13R0.150 CCCCCCCCCN(C)C(=O)C 240690a_100000232482_100015343762 [0,2,0,0,0,0|1,0,0]=3 19422 B13R0.150 CCCCCCCCCN(C)C(=O)C 527a_100000232482_100103153847 [0,2,0,0,0,0|1,0,0]=3 19423 B13R0.150 CCCCCCCCNC(=O)C(=O)N 240690a_100000229939_100011215815 [0,2,0,0,0,0|1,0,1]=4 19424 B13R0.150 CCCCCCCCNC(C)C(=O)C 2230a_100000229939_100009814033 [0,2,0,0,0,0|1,0,0]=3 19425 B13R0.150 CCCCCCCCNC(C)C(=O)N 2230a_100000229939_100000702099 [0,2,0,0,0,0|1,0,0]=3 19426 B13R0.150 CCCCCCCCNC(C)C(=O)N 34a_100000229939_100000702099 [0,2,0,0,0,0|1,0,0]=3 19427 B13R0.150 CCCCCCCCNC(F)C(=O)N 2230a_100000229939_100009813875 [0,2,0,0,0,0|1,0,0]=3 19428 B13R0.150 CCCCCCCCNC(F)C(=O)N 34a_100000229939_100009813875 [0,2,0,0,0,0|1,0,0]=3 19429 B13R0.150 CCCCCCCCNC(F)C(=O)[O-] 34a_100000229939_100020610796 [0,2,0,0,0,0|1,0,0]=3 19430 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210759 [0,2,0,0,0,0|1,0,0]=3 19431 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210759 [0,2,0,0,0,0|1,0,0]=3 19432 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210759 [0,2,0,0,0,0|1,0,0]=3 19433 B13R0.150 CCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210759 [0,2,0,0,0,0|1,0,0]=3 19434 B13R0.150 CCCCCCCCOC(C)C(=O)C 7a_100000210232_100000179758 [0,2,0,0,0,0|1,0,0]=3 19435 B13R0.150 CCCCCCCCOC(C)C(=O)N 34a_100000210232_100000702099 [0,2,0,0,0,0|1,0,0]=3 19436 B13R0.150 CCCCCCCCOC(C)C(=O)N 7a_100000210232_100000702099 [0,2,0,0,0,0|1,0,0]=3 19437 B13R0.150 CCCCCCCCOC(F)C(=O)N 34a_100000210232_100009813875 [0,2,0,0,0,0|1,0,0]=3 19438 B13R0.150 CCCCCCCCOC(F)C(=O)N 7a_100000210232_100009813875 [0,2,0,0,0,0|1,0,0]=3 19439 B13R0.150 CCCCCCCCOC(F)C(=O)[O-] 34a_100000210232_100020610796 [0,2,0,0,0,0|1,0,0]=3 19440 B13R0.150 CCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210759 [0,2,0,0,0,0|1,0,0]=3 19441 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210759 [0,2,0,0,0,0|1,0,0]=3 19442 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210759 [0,2,0,0,0,0|1,0,0]=3 19443 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100000210759_100009814033 [0,2,0,0,0,0|1,0,0]=3 19444 B13R0.150 CCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210317 [0,2,0,0,0,0|1,0,0]=3 19445 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000210759_100000702099 [0,2,0,0,0,0|1,0,0]=3 19446 B13R0.150 CCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210317 [0,2,0,0,0,0|1,0,0]=3 19447 B13R0.150 CCCCCCCCSC(F)C(=O)N 62a_100000210759_100009813875 [0,2,0,0,0,0|1,0,0]=3 19448 B13R0.150 CCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210317 [0,2,0,0,0,0|1,0,0]=3 19449 B13R0.150 CCCCCCCCSC(F)C(=O)[O-] 62a_100000210759_100020610796 [0,2,0,0,0,0|1,0,0]=3 19450 B13R0.150 CCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210317 [0,2,0,0,0,0|1,0,0]=3 19451 B13R0.150 CCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210614 [0,2,0,0,0,0|1,0,0]=3 19452 B13R0.150 CCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210614 [0,2,0,0,0,0|1,0,0]=3 19453 B13R0.150 CCCCCCCOCC(=O)C(=O)C 34a_100000210272_100011261029 [0,2,0,0,0,0|1,0,1]=4 19454 B13R0.150 CCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210614 [0,2,0,0,0,0|1,0,0]=3 19455 B13R0.150 CCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210614 [0,2,0,0,0,0|1,0,0]=3 19456 B13R0.150 CCCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210614 [0,2,0,0,0,0|2,0,0]=4 19457 B13R0.150 CCCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210614 [0,2,0,0,0,0|2,0,0]=4 19458 B13R0.150 CCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210614 [0,2,0,0,0,0|1,0,0]=3 19459 B13R0.150 CCCCCCCSCC(=O)C(=O)C 62a_100000210614_100011261029 [0,2,0,0,0,0|1,0,1]=4 19460 B13R0.150 CCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210316 [0,2,0,0,0,0|1,0,1]=4 19461 B13R0.150 CCCCCNCCOC(C)C(=O)N 34a_100000224656_100000702099 [0,2,0,0,0,0|2,0,0]=4 19462 B13R0.150 CCCCCNCCOC(F)C(=O)N 34a_100000224656_100009813875 [0,2,0,0,0,0|2,0,0]=4 19463 B13R0.150 CCCCCNCCOC(F)C(=O)[O-] 34a_100000224656_100020610796 [0,2,0,0,0,0|2,0,0]=4 19464 B13R0.150 CCCCCOCCOC(C)C(=O)C 7a_100011215259_100000179758 [0,2,0,0,0,0|2,0,0]=4 19465 B13R0.150 CCCCCOCCOC(C)C(=O)N 34a_100011215259_100000702099 [0,2,0,0,0,0|2,0,0]=4 19466 B13R0.150 CCCCCOCCOC(C)C(=O)N 7a_100011215259_100000702099 [0,2,0,0,0,0|2,0,0]=4 19467 B13R0.150 CCCCCOCCOC(F)C(=O)N 34a_100011215259_100009813875 [0,2,0,0,0,0|2,0,0]=4 19468 B13R0.150 CCCCCOCCOC(F)C(=O)N 7a_100011215259_100009813875 [0,2,0,0,0,0|2,0,0]=4 19469 B13R0.150 CCCCCOCCOC(F)C(=O)[O-] 34a_100011215259_100020610796 [0,2,0,0,0,0|2,0,0]=4 19470 B13R0.150 CCCCOCCCNC(C)C(=O)C 2230a_200000211371_100009814033 [0,2,0,0,0,0|2,0,0]=4 19471 B13R0.150 CCCCOCCCNC(C)C(=O)N 2230a_200000211371_100000702099 [0,2,0,0,0,0|2,0,0]=4 19472 B13R0.150 CCCCOCCCNC(C)C(=O)N 34a_200000211371_100000702099 [0,2,0,0,0,0|2,0,0]=4 19473 B13R0.150 CCCCOCCCNC(F)C(=O)N 2230a_200000211371_100009813875 [0,2,0,0,0,0|2,0,0]=4 19474 B13R0.150 CCCCOCCCNC(F)C(=O)N 34a_200000211371_100009813875 [0,2,0,0,0,0|2,0,0]=4 19475 B13R0.150 CCCCOCCCNC(F)C(=O)[O-] 34a_200000211371_100020610796 [0,2,0,0,0,0|2,0,0]=4 19476 B13R0.150 CCCCOCCCOC(C)C(=O)C 7a_200011215613_100000179758 [0,2,0,0,0,0|2,0,0]=4 19477 B13R0.150 CCCCOCCCOC(C)C(=O)N 34a_200011215613_100000702099 [0,2,0,0,0,0|2,0,0]=4 19478 B13R0.150 CCCCOCCCOC(C)C(=O)N 7a_200011215613_100000702099 [0,2,0,0,0,0|2,0,0]=4 19479 B13R0.150 CCCCOCCCOC(F)C(=O)N 34a_200011215613_100009813875 [0,2,0,0,0,0|2,0,0]=4 19480 B13R0.150 CCCCOCCCOC(F)C(=O)N 7a_200011215613_100009813875 [0,2,0,0,0,0|2,0,0]=4 19481 B13R0.150 CCCCOCCCOC(F)C(=O)[O-] 34a_200011215613_100020610796 [0,2,0,0,0,0|2,0,0]=4 19482 B13R0.150 CCCCOCCNCC(C)C(=O)O 269956a_100000749485_100000743108 [0,2,0,0,0,0|2,0,0]=4 19483 B13R0.150 CCCCOCCNCC(F)C(=O)O 269956a_100000084737_100000743108 [0,2,0,0,0,0|2,0,0]=4 19484 B13R0.150 CCCCOCCOCC(C)C(=O)C 34a_100000032740_100000743108 [0,2,0,0,0,0|2,0,0]=4 19485 B13R0.150 CCCCOCCOCC(C)C(=O)C 7a_100000032740_100000743108 [0,2,0,0,0,0|2,0,0]=4 19486 B13R0.150 CCCCOCCOC[C@H](N)C(=O)N 34a_100000729942_100000743108 [0,2,0,0,0,0|2,0,0]=4 19487 B13R0.150 COCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011998445 [0,2,0,0,0,0|2,0,0]=4 19488 B13R0.150 COCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011998445 [0,2,0,0,0,0|2,0,0]=4 19489 B13R0.150 COCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011998445 [0,2,0,0,0,0|2,0,0]=4 19490 B13R0.150 COCCCCCCOC(C)C(=O)C 34a_100000212229_100011998445 [0,2,0,0,0,0|2,0,0]=4 19491 B13R0.150 COCCCCCCOC(C)C(=O)C 7a_200012092642_100000179758 [0,2,0,0,0,0|2,0,0]=4 19492 B13R0.150 COCCCCCCOC(C)C(=O)N 34a_200012092642_100000702099 [0,2,0,0,0,0|2,0,0]=4 19493 B13R0.150 COCCCCCCOC(C)C(=O)N 7a_200012092642_100000702099 [0,2,0,0,0,0|2,0,0]=4 19494 B13R0.150 COCCCCCCOC(F)C(=O)N 34a_200012092642_100009813875 [0,2,0,0,0,0|2,0,0]=4 19495 B13R0.150 COCCCCCCOC(F)C(=O)N 7a_200012092642_100009813875 [0,2,0,0,0,0|2,0,0]=4 19496 B13R0.150 COCCCCCCOC(F)C(=O)[O-] 34a_200012092642_100020610796 [0,2,0,0,0,0|2,0,0]=4 19497 B13R0.150 COCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011998445 [0,2,0,0,0,0|2,0,0]=4 19498 B13R0.150 COCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011998445 [0,2,0,0,0,0|2,0,0]=4 19499 B13R0.150 COCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100011998445 [0,2,0,0,0,0|2,0,0]=4 19500 B13R0.150 COCCCCCCSC(C)C(=O)C 62a_100009814033_100011998445 [0,2,0,0,0,0|2,0,0]=4 19501 B13R0.150 COCCCCCCSC(C)C(=O)C 62a_100011998445_100009814033 [0,2,0,0,0,0|2,0,0]=4 19502 B13R0.150 COCCCCCCSC(C)C(=O)N 62a_100000702099_100011998445 [0,2,0,0,0,0|2,0,0]=4 19503 B13R0.150 COCCCCCCSC(C)C(=O)N 62a_100011998445_100000702099 [0,2,0,0,0,0|2,0,0]=4 19504 B13R0.150 COCCCCCCSC(F)C(=O)N 62a_100009813875_100011998445 [0,2,0,0,0,0|2,0,0]=4 19505 B13R0.150 COCCCCCCSC(F)C(=O)N 62a_100011998445_100009813875 [0,2,0,0,0,0|2,0,0]=4 19506 B13R0.150 COCCCCCCSC(F)C(=O)[O-] 62a_100011998445_100020610796 [0,2,0,0,0,0|2,0,0]=4 19507 B13R0.150 COCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100011998445 [0,2,0,0,0,0|2,0,0]=4 19508 B13R0.150 C[C@@H](NCCCCCCCO)C(=O)N 2230a_100000119354_100000760002 [0,2,0,0,0,0|2,0,0]=4 19509 B13R0.150 C[C@@H](NCCCCCCCO)C(=O)N 34a_100000119354_100000760002 [0,2,0,0,0,0|2,0,0]=4 19510 B13R0.150 C[C@@H](OCCCCCCCO)C(=O)N 34a_100000731257_100000760002 [0,2,0,0,0,0|2,0,0]=4 19511 B13R0.150 C[C@@H](OCCCCCCCO)C(=O)N 7a_100000731257_100000760002 [0,2,0,0,0,0|2,0,0]=4 19512 B13R0.150 C[C@H](NCCCCCCCO)C(=O)O 269956a_100000743915_100000760002 [0,2,0,0,0,0|2,0,0]=4 19513 B13R0.150 C[C@H](OCCCCCCCO)C(=O)[O-] 7a_217856618621_100000760002 [0,2,0,0,0,0|2,0,0]=4 19514 B13R0.150 NC(=O)C(F)NCCCCCCCO 2230a_100011996573_100009813875 [0,2,0,0,0,0|2,0,0]=4 19515 B13R0.150 NC(=O)C(F)NCCCCCCCO 34a_100011996573_100009813875 [0,2,0,0,0,0|2,0,0]=4 19516 B13R0.150 NC(=O)C(F)OCCCCCCCBr 34a_100000760002_100009813875 [0,2,0,0,0,0|2,0,0]=4 19517 B13R0.150 NC(=O)C(F)OCCCCCCCBr 7a_100000760002_100009813875 [0,2,0,0,0,0|2,0,0]=4 19518 B13R0.150 NC(=O)C(F)SCCCCCCCO 62a_100000760002_100009813875 [0,2,0,0,0,0|2,0,0]=4 19519 B13R0.150 NC(=O)C(F)SCCCCCCCO 62a_100009813875_100000760002 [0,2,0,0,0,0|2,0,0]=4 19520 B13R0.150 NC(=O)[C@@H](N)COCCCCCCF 34a_100000729942_100015922095 [0,2,0,0,0,0|2,0,0]=4 19521 B13R0.150 NC(=O)[C@@H](N)COCCCCCCO 34a_100000729942_100000766143 [0,2,0,0,0,0|2,0,0]=4 19522 B13R0.150 NCCCCCCCOC(F)C(=O)N 34a_100011996573_100009813875 [0,2,0,0,0,0|2,0,0]=4 19523 B13R0.150 NCCCCCCCOC(F)C(=O)[O-] 34a_100011996573_100020610796 [0,2,0,0,0,0|2,0,0]=4 19524 B13R0.150 O=C(O)C(F)CNCCCCCCF 269956a_100000084737_100015922095 [0,2,0,0,0,0|2,0,0]=4 19525 B13R0.150 O=C(O)C(F)CNCCCCCCO 269956a_100000084737_100000766143 [0,2,0,0,0,0|2,0,0]=4 19526 B13R0.150 O=C([O-])C(F)NCCCCCCCO 34a_100011996573_100020610796 [0,2,0,0,0,0|2,0,0]=4 19527 B13R0.150 O=C([O-])C(F)OCCCCCCCBr 34a_100000760002_100020610796 [0,2,0,0,0,0|2,0,0]=4 19528 B13R0.150 O=C([O-])C(F)SCCCCCCCO 62a_100000760002_100020610796 [0,2,0,0,0,0|2,0,0]=4 19529 B13R0.150 O=C([O-])C(F)SCCCCCCCO 62a_100020610796_100000760002 [0,2,0,0,0,0|2,0,0]=4 19530 B13R0.179 C=C(Br)CCOCCCCCC(C)C 34a_100009813270_100000210682 [0,2,0,0,0,0|2,0,0]=4 19531 B13R0.179 C=C(C)CCNCCCCCC(C)C 2230a_100011290863_100000730704 [0,2,0,0,0,0|2,0,0]=4 19532 B13R0.179 C=C(C)CCNCCCCCC(C)C 34a_100011290863_100000730704 [0,2,0,0,0,0|2,0,0]=4 19533 B13R0.179 C=C(C)CCOCCCCCC(=O)N 34a_100000123541_100000730704 [0,2,0,0,0,0|1,0,1]=4 19534 B13R0.179 C=C(C)CCOCCCCCC(=O)N 34a_100000764851_100009817443 [0,2,0,0,0,0|1,0,1]=4 19535 B13R0.179 C=C(C)CCOCCCCCC(=O)N 7a_100000123541_100000730704 [0,2,0,0,0,0|1,0,1]=4 19536 B13R0.179 C=C(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000730704 [0,2,0,0,0,0|1,0,1]=4 19537 B13R0.179 C=C(C)CCOCCCCCC(C)C 34a_100000764851_100000210682 [0,2,0,0,0,0|2,0,0]=4 19538 B13R0.179 C=C(C)CCOCCCCCC(C)C 34a_100011995859_100000730704 [0,2,0,0,0,0|2,0,0]=4 19539 B13R0.179 C=C(C)CCOCCCCCC(C)C 7a_100011995859_100000730704 [0,2,0,0,0,0|2,0,0]=4 19540 B13R0.179 C=C(C)CCSCCCCCC(=O)N 62a_100000730704_100009817443 [0,2,0,0,0,0|1,0,1]=4 19541 B13R0.179 C=C(C)CCSCCCCCC(=O)N 62a_100009817443_100000730704 [0,2,0,0,0,0|1,0,1]=4 19542 B13R0.179 C=C(C)CCSCCCCCC(C)C 62a_100000210682_100000730704 [0,2,0,0,0,0|2,0,0]=4 19543 B13R0.179 C=C(C)CCSCCCCCC(C)C 62a_100000730704_100000210682 [0,2,0,0,0,0|2,0,0]=4 19544 B13R0.179 C=C(C)CNCCCCCCC(C)C 2230a_100000211014_100000748629 [0,2,0,0,0,0|2,0,0]=4 19545 B13R0.179 C=C(C)CNCCCCCCC(C)C 34a_100000211014_100000748629 [0,2,0,0,0,0|2,0,0]=4 19546 B13R0.179 C=C(F)CNCCCCCCC(C)C 2230a_100000211014_100009893438 [0,2,0,0,0,0|2,0,0]=4 19547 B13R0.179 C=C(F)CNCCCCCCC(C)C 34a_100000211014_100009893438 [0,2,0,0,0,0|2,0,0]=4 19548 B13R0.179 CC(=O)CCCCNCCCC(=O)N 34a_100000739312_100009817362 [0,2,0,0,0,0|1,0,1]=4 19549 B13R0.179 CC(=O)CCCCNCCCC(C)C 34a_200000737386_100009817362 [0,2,0,0,0,0|1,0,0]=3 19550 B13R0.179 CC(=O)CCCCNCCOC(C)C 34a_100000701111_100009817362 [0,2,0,0,0,0|2,0,0]=4 19551 B13R0.179 CC(=O)CCCCNCCSC(C)C 34a_100000731138_100009817362 [0,2,0,0,0,0|2,0,0]=4 19552 B13R0.179 CC(=O)CCCCOCCCC(=O)C 34a_100000759063_100009817362 [0,2,0,0,0,0|1,0,1]=4 19553 B13R0.179 CC(=O)CCCCOCCCC(=O)C 7a_100000759063_100000735457 [0,2,0,0,0,0|1,0,1]=4 19554 B13R0.179 CC(=O)CCCCOCCCC(C)C 34a_100000210774_100009817362 [0,2,0,0,0,0|1,0,0]=3 19555 B13R0.179 CC(=O)CCCCOCCCC(C)C 7a_100000210774_100000735457 [0,2,0,0,0,0|1,0,0]=3 19556 B13R0.179 CC(=O)CCCCOCCNC(C)C 34a_100000224655_100009817362 [0,2,0,0,0,0|2,0,0]=4 19557 B13R0.179 CC(=O)CCCCOCCOC(C)C 34a_100000211219_100009817362 [0,2,0,0,0,0|2,0,0]=4 19558 B13R0.179 CC(=O)CCCCOCCOC(C)C 7a_100000211219_100000735457 [0,2,0,0,0,0|2,0,0]=4 19559 B13R0.179 CC(=O)CCCCOCCSC(C)C 34a_200011212901_100009817362 [0,2,0,0,0,0|2,0,0]=4 19560 B13R0.179 CC(=O)CCCCOCCSC(C)C 7a_200011212901_100000735457 [0,2,0,0,0,0|2,0,0]=4 19561 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100000735457_100011215641 [0,2,0,0,0,0|1,0,1]=4 19562 B13R0.179 CC(=O)CCCCSCCCC(=O)C 62a_100011215641_100000735457 [0,2,0,0,0,0|1,0,1]=4 19563 B13R0.179 CC(=O)CCCCSCCCC(=O)N 62a_100000735457_100102525003 [0,2,0,0,0,0|1,0,1]=4 19564 B13R0.179 CC(=O)CCCCSCCCC(=O)N 62a_100102525003_100000735457 [0,2,0,0,0,0|1,0,1]=4 19565 B13R0.179 CC(=O)CCCCSCCCC(C)C 62a_100000735457_100011214892 [0,2,0,0,0,0|1,0,0]=3 19566 B13R0.179 CC(=O)CCCCSCCCC(C)C 62a_100011214892_100000735457 [0,2,0,0,0,0|1,0,0]=3 19567 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_100000735457_200000718107 [0,2,0,0,0,0|1,0,0]=3 19568 B13R0.179 CC(=O)CCCCSCCCC(C)O 62a_200000718107_100000735457 [0,2,0,0,0,0|1,0,0]=3 19569 B13R0.179 CC(=O)CCCCSCCCN(C)C 62a_100000735457_100000757444 [0,2,0,0,0,0|2,0,0]=4 19570 B13R0.179 CC(=O)CCCCSCCOC(C)C 62a_100000211751_100000735457 [0,2,0,0,0,0|2,0,0]=4 19571 B13R0.179 CC(=O)CCCCSCCOC(C)C 62a_100000735457_100000211751 [0,2,0,0,0,0|2,0,0]=4 19572 B13R0.179 CC(=O)CCCCSCCSC(C)C 62a_100000730970_100000735457 [0,2,0,0,0,0|2,0,0]=4 19573 B13R0.179 CC(=O)CCCCSCCSC(C)C 62a_100000735457_100000730970 [0,2,0,0,0,0|2,0,0]=4 19574 B13R0.179 CC(=O)CCCNCCCCC(=O)N 34a_100000696515_100000685027 [0,2,0,0,0,0|1,0,1]=4 19575 B13R0.179 CC(=O)CCCNCCCOC(C)C 34a_100000737246_100000685027 [0,2,0,0,0,0|2,0,0]=4 19576 B13R0.179 CC(=O)CCCOCCCCC(=O)N 34a_100012022536_100000685027 [0,2,0,0,0,0|1,0,1]=4 19577 B13R0.179 CC(=O)CCCOCCCCC(=O)N 7a_100012022536_100011215641 [0,2,0,0,0,0|1,0,1]=4 19578 B13R0.179 CC(=O)CCCOCCCCC(C)C 34a_100000759063_100011216152 [0,2,0,0,0,0|1,0,0]=3 19579 B13R0.179 CC(=O)CCCOCCCCC(C)C 34a_100011214890_100000685027 [0,2,0,0,0,0|1,0,0]=3 19580 B13R0.179 CC(=O)CCCOCCCCC(C)C 7a_100000759063_100011216152 [0,2,0,0,0,0|1,0,0]=3 19581 B13R0.179 CC(=O)CCCOCCCCC(C)C 7a_100011214890_100011215641 [0,2,0,0,0,0|1,0,0]=3 19582 B13R0.179 CC(=O)CCCOCCCNC(C)C 34a_100000182298_100000685027 [0,2,0,0,0,0|2,0,0]=4 19583 B13R0.179 CC(=O)CCCOCCNCC(C)C 34a_100015185251_100000685027 [0,2,0,0,0,0|2,0,0]=4 19584 B13R0.179 CC(=O)CCCOCCOCC(C)C 34a_100000703358_100000685027 [0,2,0,0,0,0|2,0,0]=4 19585 B13R0.179 CC(=O)CCCOCCOCC(C)C 7a_100000703358_100011215641 [0,2,0,0,0,0|2,0,0]=4 19586 B13R0.179 CC(=O)CCCOCCSCC(C)C 34a_200000230437_100000685027 [0,2,0,0,0,0|2,0,0]=4 19587 B13R0.179 CC(=O)CCCOCCSCC(C)C 7a_200000230437_100011215641 [0,2,0,0,0,0|2,0,0]=4 19588 B13R0.179 CC(=O)CCCSCCCCC(C)C 62a_100011215641_100011216152 [0,2,0,0,0,0|1,0,0]=3 19589 B13R0.179 CC(=O)CCCSCCCCC(C)C 62a_100011216152_100011215641 [0,2,0,0,0,0|1,0,0]=3 19590 B13R0.179 CC(=O)CCCSCCCCN(C)C 62a_100011215641_100000690147 [0,2,0,0,0,0|2,0,0]=4 19591 B13R0.179 CC(=O)CCOCCCCCC(=O)N 34a_100000759926_100009817443 [0,2,0,0,0,0|1,0,1]=4 19592 B13R0.179 CC(=O)CCOCCCCCC(=O)N 7a_100000123541_100000053229 [0,2,0,0,0,0|1,0,1]=4 19593 B13R0.179 CC(=O)CCOCCCCCC(=O)N 7a_100000759926_100009817443 [0,2,0,0,0,0|1,0,1]=4 19594 B13R0.179 CC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100000053229 [0,2,0,0,0,0|1,0,1]=4 19595 B13R0.179 CC(=O)CCOCCCCCC(C)C 34a_100000759926_100000210682 [0,2,0,0,0,0|1,0,0]=3 19596 B13R0.179 CC(=O)CCOCCCCCC(C)C 7a_100000759926_100000210682 [0,2,0,0,0,0|1,0,0]=3 19597 B13R0.179 CC(=O)CCOCCCCCC(C)C 7a_100011995859_100000053229 [0,2,0,0,0,0|1,0,0]=3 19598 B13R0.179 CC(=O)CCSCCCCCC(=O)N 62a_100000053229_100009817443 [0,2,0,0,0,0|1,0,1]=4 19599 B13R0.179 CC(=O)CCSCCCCCC(=O)N 62a_100009817443_100000053229 [0,2,0,0,0,0|1,0,1]=4 19600 B13R0.179 CC(=O)CCSCCCCCC(C)C 62a_100000053229_100000210682 [0,2,0,0,0,0|1,0,0]=3 19601 B13R0.179 CC(=O)CCSCCCCCC(C)C 62a_100000210682_100000053229 [0,2,0,0,0,0|1,0,0]=3 19602 B13R0.179 CC(=O)NCCCCCCNC(C)C 2230a_200011996284_100000210206 [0,2,0,0,0,0|2,0,0]=4 19603 B13R0.179 CC(=O)NCCCCCCNC(C)C 34a_200011996284_100000210206 [0,2,0,0,0,0|2,0,0]=4 19604 B13R0.179 CC(=O)NCCCCCNCC(C)C 2230a_200012022750_100000210760 [0,2,0,0,0,0|2,0,0]=4 19605 B13R0.179 CC(=O)NCCCCCNCC(C)C 270004a_200012022750_100000210432 [0,2,0,0,0,0|2,0,0]=4 19606 B13R0.179 CC(=O)NCCCCCNCC(C)C 34a_200012022750_100000210624 [0,2,0,0,0,0|2,0,0]=4 19607 B13R0.179 CC(=O)NCCCCCNCC(C)O 2230a_200012022750_100011218427 [0,2,0,0,0,0|2,0,0]=4 19608 B13R0.179 CC(=O)NCCCCCNCC(C)O 34a_200012022750_100011218427 [0,2,0,0,0,0|2,0,0]=4 19609 B13R0.179 CC(=O)NCCCCCNC[C@@H](C)O 2230a_200012022750_100009817552 [0,2,0,0,0,0|2,0,0]=4 19610 B13R0.179 CC(=O)NCCCCCNC[C@@H](C)O 34a_200012022750_100009817552 [0,2,0,0,0,0|2,0,0]=4 19611 B13R0.179 CC(=O)NCCCCNCCC(C)C 2230a_200011368371_100000210312 [0,2,0,0,0,0|2,0,0]=4 19612 B13R0.179 CC(=O)NCCCCNCCC(C)C 269862a_200011368371_100000185833 [0,2,0,0,0,0|2,0,0]=4 19613 B13R0.179 CC(=O)NCCCCNCCC(C)C 34a_200011368371_100000210312 [0,2,0,0,0,0|2,0,0]=4 19614 B13R0.179 CC(=O)NCCCCNCCC(C)O 2230a_200011368371_100012276601 [0,2,0,0,0,0|2,0,0]=4 19615 B13R0.179 CC(=O)NCCCCNCCC(C)O 34a_200011368371_100012276601 [0,2,0,0,0,0|2,0,0]=4 19616 B13R0.179 CC(=O)NCCCNCCCC(C)C 34a_100000736810_100011214892 [0,2,0,0,0,0|2,0,0]=4 19617 B13R0.179 CC(=O)NCCCNCCCC(C)O 34a_100000736810_200000718107 [0,2,0,0,0,0|2,0,0]=4 19618 B13R0.179 CC(=O)NCCCOCCCC(C)C 34a_100000752032_100011214892 [0,2,0,0,0,0|2,0,0]=4 19619 B13R0.179 CC(=O)NCCCOCCCC(C)O 34a_100000752032_200000718107 [0,2,0,0,0,0|2,0,0]=4 19620 B13R0.179 CC(=O)NCCNCCCCC(C)C 2230a_100000209853_100011216152 [0,2,0,0,0,0|2,0,0]=4 19621 B13R0.179 CC(=O)NCCOCCCCC(C)C 34a_100000158858_100011216152 [0,2,0,0,0,0|2,0,0]=4 19622 B13R0.179 CC(=O)NCCOCCCCC(C)C 7a_100011214890_100000189650 [0,2,0,0,0,0|2,0,0]=4 19623 B13R0.179 CC(=O)NCCSCCCCC(C)C 62a_100000189650_100011216152 [0,2,0,0,0,0|2,0,0]=4 19624 B13R0.179 CC(=O)NCCSCCCCC(C)C 62a_100011216152_100000189650 [0,2,0,0,0,0|2,0,0]=4 19625 B13R0.179 CC(=O)OCCCCCNCC(C)C 2230a_100000210953_100009813381 [0,2,0,0,0,0|2,0,0]=4 19626 B13R0.179 CC(=O)OCCCCCNCC(C)C 34a_100000210953_100000033007 [0,2,0,0,0,0|2,0,0]=4 19627 B13R0.179 CC(=O)OCCCCCNCC(C)O 2230a_100000210904_100009813381 [0,2,0,0,0,0|2,0,0]=4 19628 B13R0.179 CC(=O)OCCCCCNCC(C)O 34a_100000210904_100000033007 [0,2,0,0,0,0|2,0,0]=4 19629 B13R0.179 CC(=O)OCCCCCOCC(C)Br 34a_100012180447_100000033007 [0,2,0,0,0,0|2,0,0]=4 19630 B13R0.179 CC(=O)OCCCCCOCC(C)C 34a_100000210257_100000033007 [0,2,0,0,0,0|2,0,0]=4 19631 B13R0.179 CC(=O)OCCCCCOCC(C)F 34a_100015925927_100000033007 [0,2,0,0,0,0|2,0,0]=4 19632 B13R0.179 CC(=O)OCCCCCOC[C@@H](C)Cl 34a_100016084084_100000033007 [0,2,0,0,0,0|2,0,0]=4 19633 B13R0.179 CC(=O)OCCCCCOC[C@@H](C)N 34a_100000737577_100000033007 [0,2,0,0,0,0|2,0,0]=4 19634 B13R0.179 CC(=O)OCCCCCSCC(C)C 62a_100000033007_100000210760 [0,2,0,0,0,0|2,0,0]=4 19635 B13R0.179 CC(=O)OCCCCCSCC(C)C 62a_100000210624_100000033007 [0,2,0,0,0,0|2,0,0]=4 19636 B13R0.179 CC(=O)OCCCCCSCC(C)O 62a_100000033007_100011218427 [0,2,0,0,0,0|2,0,0]=4 19637 B13R0.179 CC(=O)OCCCCCSCC(C)O 62a_100011218427_100000033007 [0,2,0,0,0,0|2,0,0]=4 19638 B13R0.179 CC(=O)OCCCCCSC[C@@H](C)O 62a_100000033007_100009817552 [0,2,0,0,0,0|2,0,0]=4 19639 B13R0.179 CC(=O)OCCCCCSC[C@@H](C)O 62a_100009817552_100000033007 [0,2,0,0,0,0|2,0,0]=4 19640 B13R0.179 CC(=O)OCCCCOCCC(C)Br 34a_100009893172_100000033659 [0,2,0,0,0,0|2,0,0]=4 19641 B13R0.179 CC(=O)OCCCCOCCC(C)C 34a_100000073216_100000210312 [0,2,0,0,0,0|2,0,0]=4 19642 B13R0.179 CC(=O)OCCCCOCCC(C)C 34a_100000210254_100000033659 [0,2,0,0,0,0|2,0,0]=4 19643 B13R0.179 CC(=O)OCCCCOCCC(C)C 7a_100000073216_100000210626 [0,2,0,0,0,0|2,0,0]=4 19644 B13R0.179 CC(=O)OCCCCOCCC(C)C 7a_100000210254_100000033659 [0,2,0,0,0,0|2,0,0]=4 19645 B13R0.179 CC(=O)OCCCCOCCC(C)O 34a_100000073216_100012276601 [0,2,0,0,0,0|2,0,0]=4 19646 B13R0.179 CC(=O)OCCCCOCCC(C)O 7a_100000073216_100012276601 [0,2,0,0,0,0|2,0,0]=4 19647 B13R0.179 CC(=O)OCCCCOCC[C@@H](C)N 34a_100000706166_100000033659 [0,2,0,0,0,0|2,0,0]=4 19648 B13R0.179 CC(=O)OCCCCSCCC(C)C 62a_100000033659_100000210312 [0,2,0,0,0,0|2,0,0]=4 19649 B13R0.179 CC(=O)OCCCCSCCC(C)C 62a_100000210312_100000033659 [0,2,0,0,0,0|2,0,0]=4 19650 B13R0.179 CC(=O)OCCCCSCCC(C)O 62a_100000033659_100012276601 [0,2,0,0,0,0|2,0,0]=4 19651 B13R0.179 CC(=O)OCCCCSCCC(C)O 62a_100012276601_100000033659 [0,2,0,0,0,0|2,0,0]=4 19652 B13R0.179 CC(=O)OCCCNCCCC(C)C 34a_200000737386_100000042594 [0,2,0,0,0,0|2,0,0]=4 19653 B13R0.179 CC(=O)OCCCOCCCC(C)C 34a_100000210774_100000042594 [0,2,0,0,0,0|2,0,0]=4 19654 B13R0.179 CC(=O)OCCCOCCCC(C)C 7a_100000210774_100000042594 [0,2,0,0,0,0|2,0,0]=4 19655 B13R0.179 CC(=O)OCCCSCCCC(C)C 62a_100000042594_100011214892 [0,2,0,0,0,0|2,0,0]=4 19656 B13R0.179 CC(=O)OCCCSCCCC(C)C 62a_100011214892_100000042594 [0,2,0,0,0,0|2,0,0]=4 19657 B13R0.179 CC(=O)OCCCSCCCC(C)O 62a_100000042594_200000718107 [0,2,0,0,0,0|2,0,0]=4 19658 B13R0.179 CC(=O)OCCCSCCCC(C)O 62a_200000718107_100000042594 [0,2,0,0,0,0|2,0,0]=4 19659 B13R0.179 CC(=O)OCCOCCCCC(C)C 34a_100011214890_100009814007 [0,2,0,0,0,0|2,0,0]=4 19660 B13R0.179 CC(=O)OCCOCCCCC(C)C 7a_100011214890_100009814007 [0,2,0,0,0,0|2,0,0]=4 19661 B13R0.179 CC(=O)OCCSCCCCC(C)C 62a_100009814007_100011216152 [0,2,0,0,0,0|2,0,0]=4 19662 B13R0.179 CC(=O)OCCSCCCCC(C)C 62a_100011216152_100009814007 [0,2,0,0,0,0|2,0,0]=4 19663 B13R0.179 CC(=O)OCNCCCCCC(C)C 34a_100011290863_100009813279 [0,2,0,0,0,0|2,0,0]=4 19664 B13R0.179 CC(=O)OCOCCCCCC(C)C 34a_100011995859_100009813279 [0,2,0,0,0,0|2,0,0]=4 19665 B13R0.179 CC(=O)OCSCCCCCC(C)C 62a_100000076356_100000210682 [0,2,0,0,0,0|2,0,0]=4 19666 B13R0.179 CC(=O)OCSCCCCCC(C)C 62a_100000210682_100000076356 [0,2,0,0,0,0|2,0,0]=4 19667 B13R0.179 CC(=O)SCCCCNCCC(C)O 2230a_200000755665_200010402107 [0,2,0,0,0,0|2,0,0]=4 19668 B13R0.179 CC(=O)SCCCCOCCC(C)Br 34a_100009893172_200010402107 [0,2,0,0,0,0|2,0,0]=4 19669 B13R0.179 CC(=O)SCCCCOCCC(C)C 34a_100000210254_200010402107 [0,2,0,0,0,0|2,0,0]=4 19670 B13R0.179 CC(=O)SCCCCOCCC(C)C 7a_100000210254_200010402107 [0,2,0,0,0,0|2,0,0]=4 19671 B13R0.179 CC(=O)SCCCCOCC[C@@H](C)N 34a_100000706166_200010402107 [0,2,0,0,0,0|2,0,0]=4 19672 B13R0.179 CC(=O)SCCCCSCCC(C)C 62a_100000210312_200010402107 [0,2,0,0,0,0|2,0,0]=4 19673 B13R0.179 CC(=O)SCCCCSCCC(C)C 62a_200010402107_100000210312 [0,2,0,0,0,0|2,0,0]=4 19674 B13R0.179 CC(=O)SCCCCSCCC(C)O 62a_100012276601_200010402107 [0,2,0,0,0,0|2,0,0]=4 19675 B13R0.179 CC(=O)SCCCCSCCC(C)O 62a_200010402107_100012276601 [0,2,0,0,0,0|2,0,0]=4 19676 B13R0.179 CC(=O)SCCCNCCCC(C)C 2230a_200000737386_100000038929 [0,2,0,0,0,0|2,0,0]=4 19677 B13R0.179 CC(=O)SCCCNCCCC(C)C 34a_200000737386_100000038929 [0,2,0,0,0,0|2,0,0]=4 19678 B13R0.179 CC(=O)SCCCOCCCC(C)C 34a_100000210774_100000038929 [0,2,0,0,0,0|2,0,0]=4 19679 B13R0.179 CC(=O)SCCCOCCCC(C)C 7a_100000210774_100000038929 [0,2,0,0,0,0|2,0,0]=4 19680 B13R0.179 CC(=O)SCCCSCCCC(C)C 62a_100000038929_100011214892 [0,2,0,0,0,0|2,0,0]=4 19681 B13R0.179 CC(=O)SCCCSCCCC(C)C 62a_100011214892_100000038929 [0,2,0,0,0,0|2,0,0]=4 19682 B13R0.179 CC(=O)SCCCSCCCC(C)O 62a_100000038929_200000718107 [0,2,0,0,0,0|2,0,0]=4 19683 B13R0.179 CC(=O)SCCCSCCCC(C)O 62a_200000718107_100000038929 [0,2,0,0,0,0|2,0,0]=4 19684 B13R0.179 CC(Br)CCOCCCCCC(=O)N 34a_100009893172_100009817443 [0,2,0,0,0,0|1,0,0]=3 19685 B13R0.179 CC(C)CCCCCCNCC(=O)N 2230a_100000211014_100000747473 [0,2,0,0,0,0|1,0,0]=3 19686 B13R0.179 CC(C)CCCCCCNCC(=O)N 34a_100000211014_100000187820 [0,2,0,0,0,0|1,0,0]=3 19687 B13R0.179 CC(C)CCCCCCNCC(=O)[O-] 34a_100000211014_100020667443 [0,2,0,0,0,0|1,0,0]=3 19688 B13R0.179 CC(C)CCCCCCNC[N+](=O)[O-] 34a_100000211014_100000761209 [0,2,0,0,0,0|2,0,0]=4 19689 B13R0.179 CC(C)CCCCCNCCC(=O)N 2230a_100011290863_100000744528 [0,2,0,0,0,0|1,0,0]=3 19690 B13R0.179 CC(C)CCCCCNCCC(=O)N 34a_100011290863_100000731001 [0,2,0,0,0,0|1,0,0]=3 19691 B13R0.179 CC(C)CCCCCNOCC(=O)O 269956a_100000106656_100000210682 [0,2,0,0,0,0|2,0,0]=4 19692 B13R0.179 CC(C)CCCCCOCCC(=O)N 34a_100000757172_100000210682 [0,2,0,0,0,0|1,0,0]=3 19693 B13R0.179 CC(C)CCCCCOCCC(=O)N 34a_100011995859_100000731001 [0,2,0,0,0,0|1,0,0]=3 19694 B13R0.179 CC(C)CCCCCOCCC(=O)N 7a_100000757172_100000210682 [0,2,0,0,0,0|1,0,0]=3 19695 B13R0.179 CC(C)CCCCCOCCC(=O)N 7a_100011995859_100000744528 [0,2,0,0,0,0|1,0,0]=3 19696 B13R0.179 CC(C)CCCCCSCCC(=O)N 62a_100000210682_100000744528 [0,2,0,0,0,0|1,0,0]=3 19697 B13R0.179 CC(C)CCCCCSCCC(=O)N 62a_100000744528_100000210682 [0,2,0,0,0,0|1,0,0]=3 19698 B13R0.179 CC(C)CCCCNCCCC(=O)N 34a_100000739312_100011216152 [0,2,0,0,0,0|1,0,0]=3 19699 B13R0.179 CC(C)CCCCNCCCS(=O)C 2230a_200000753449_100011216152 [0,2,0,0,0,0|2,0,0]=4 19700 B13R0.179 CC(C)CCCCNCCNC(=O)N 34a_100020590234_100011216152 [0,2,0,0,0,0|2,0,0]=4 19701 B13R0.179 CC(C)CCCCOCCCC(=O)N 34a_100011214890_100102525003 [0,2,0,0,0,0|1,0,0]=3 19702 B13R0.179 CC(C)CCCCOCCCC(=O)N 7a_100011214890_100102525003 [0,2,0,0,0,0|1,0,0]=3 19703 B13R0.179 CC(C)CCCCOCCC[N+](=O)[O-] 34a_200000037920_100011216152 [0,2,0,0,0,0|2,0,0]=4 19704 B13R0.179 CC(C)CCCCOCCNC(=O)N 34a_100000181757_100011216152 [0,2,0,0,0,0|2,0,0]=4 19705 B13R0.179 CC(C)CCCCOCCNC(=O)N 7a_100011214890_200000034859 [0,2,0,0,0,0|2,0,0]=4 19706 B13R0.179 CC(C)CCCCOCCOC(=O)N 34a_100011214890_200011214921 [0,2,0,0,0,0|2,0,0]=4 19707 B13R0.179 CC(C)CCCCOCCOC(=O)N 7a_100000766696_100011216152 [0,2,0,0,0,0|2,0,0]=4 19708 B13R0.179 CC(C)CCCCOCCOC(=O)N 7a_100011214890_200011214921 [0,2,0,0,0,0|2,0,0]=4 19709 B13R0.179 CC(C)CCCCSCCCC(=O)N 62a_100011216152_100102525003 [0,2,0,0,0,0|1,0,0]=3 19710 B13R0.179 CC(C)CCCCSCCCC(=O)N 62a_100102525003_100011216152 [0,2,0,0,0,0|1,0,0]=3 19711 B13R0.179 CC(C)CCCCSCCNC(=O)N 62a_100011216152_200000034859 [0,2,0,0,0,0|2,0,0]=4 19712 B13R0.179 CC(C)CCCCSCCNC(=O)N 62a_200000034859_100011216152 [0,2,0,0,0,0|2,0,0]=4 19713 B13R0.179 CC(C)CCCCSCCOC(=O)N 62a_100011216152_200011214921 [0,2,0,0,0,0|2,0,0]=4 19714 B13R0.179 CC(C)CCCCSCCOC(=O)N 62a_200011214921_100011216152 [0,2,0,0,0,0|2,0,0]=4 19715 B13R0.179 CC(C)CCCNCCCCC(=O)N 34a_100000696515_100011214892 [0,2,0,0,0,0|1,0,0]=3 19716 B13R0.179 CC(C)CCCNCCOCC(=O)N 2230a_200000737386_100000076697 [0,2,0,0,0,0|2,0,0]=4 19717 B13R0.179 CC(C)CCCNCCOCC(=O)N 34a_200000737386_100000076697 [0,2,0,0,0,0|2,0,0]=4 19718 B13R0.179 CC(C)CCCNCCOCC(=O)O 269956a_100000700818_100011214892 [0,2,0,0,0,0|2,0,0]=4 19719 B13R0.179 CC(C)CCCOCCCCC(=O)N 34a_100012022536_100011214892 [0,2,0,0,0,0|1,0,0]=3 19720 B13R0.179 CC(C)CCCOCCCCC(=O)N 7a_100012022536_100011214892 [0,2,0,0,0,0|1,0,0]=3 19721 B13R0.179 CC(C)CCCOCCCC[N+](=O)[O-] 34a_200015379883_100011214892 [0,2,0,0,0,0|2,0,0]=4 19722 B13R0.179 CC(C)CCCOCCCC[N+](=O)[O-] 7a_200015379883_100011214892 [0,2,0,0,0,0|2,0,0]=4 19723 B13R0.179 CC(C)CCCOCCOCC(=O)N 34a_100000210774_100000076697 [0,2,0,0,0,0|2,0,0]=4 19724 B13R0.179 CC(C)CCCOCCOCC(=O)N 7a_100000210774_100000076697 [0,2,0,0,0,0|2,0,0]=4 19725 B13R0.179 CC(C)CCCSCCOCC(=O)N 62a_100000076697_100011214892 [0,2,0,0,0,0|2,0,0]=4 19726 B13R0.179 CC(C)CCCSCCOCC(=O)N 62a_100011214892_100000076697 [0,2,0,0,0,0|2,0,0]=4 19727 B13R0.179 CC(C)CCOCCCCCC(=O)N 34a_100000123541_100000210312 [0,2,0,0,0,0|1,0,0]=3 19728 B13R0.179 CC(C)CCOCCCCCC(=O)N 34a_100000210254_100009817443 [0,2,0,0,0,0|1,0,0]=3 19729 B13R0.179 CC(C)CCOCCCCCC(=O)N 7a_100000123541_100000210626 [0,2,0,0,0,0|1,0,0]=3 19730 B13R0.179 CC(C)CCOCCCCCC(=O)N 7a_100000210254_100009817443 [0,2,0,0,0,0|1,0,0]=3 19731 B13R0.179 CC(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000210626 [0,2,0,0,0,0|1,0,0]=3 19732 B13R0.179 CC(C)CCSCCCCCC(=O)N 62a_100000210312_100009817443 [0,2,0,0,0,0|1,0,0]=3 19733 B13R0.179 CC(C)CCSCCCCCC(=O)N 62a_100009817443_100000210312 [0,2,0,0,0,0|1,0,0]=3 19734 B13R0.179 CC(C)CNCCOCCCC(=O)N 34a_100015185251_100102525003 [0,2,0,0,0,0|2,0,0]=4 19735 B13R0.179 CC(C)COCCCNCCC(=O)N 2230a_100000205972_100000744528 [0,2,0,0,0,0|2,0,0]=4 19736 B13R0.179 CC(C)COCCCNCCC(=O)N 34a_100000205972_100000731001 [0,2,0,0,0,0|2,0,0]=4 19737 B13R0.179 CC(C)COCCOCCCC(=O)N 34a_100000703358_100102525003 [0,2,0,0,0,0|2,0,0]=4 19738 B13R0.179 CC(C)COCCOCCCC(=O)N 7a_100000703358_100102525003 [0,2,0,0,0,0|2,0,0]=4 19739 B13R0.179 CC(C)CSCCOCCCC(=O)N 34a_200000230437_100102525003 [0,2,0,0,0,0|2,0,0]=4 19740 B13R0.179 CC(C)CSCCOCCCC(=O)N 7a_200000230437_100102525003 [0,2,0,0,0,0|2,0,0]=4 19741 B13R0.179 CC(C)NCCCCCOCC(=O)N 34a_100011629493_100000187820 [0,2,0,0,0,0|2,0,0]=4 19742 B13R0.179 CC(C)NCCCCCOCC(=O)[O-] 34a_100011629493_100020667443 [0,2,0,0,0,0|2,0,0]=4 19743 B13R0.179 CC(C)NCCCCOCCC(=O)N 34a_100011521146_100000731001 [0,2,0,0,0,0|2,0,0]=4 19744 B13R0.179 CC(C)NCCCOCCCC(=O)N 34a_100000182298_100102525003 [0,2,0,0,0,0|2,0,0]=4 19745 B13R0.179 CC(C)OCCCNCCCC(=O)N 34a_100000737246_100102525003 [0,2,0,0,0,0|2,0,0]=4 19746 B13R0.179 CC(C)OCCNCCCCC(=O)N 34a_100000696515_100000211751 [0,2,0,0,0,0|2,0,0]=4 19747 B13R0.179 CC(C)OCCOCCCCC(=O)N 34a_100012022536_100000211751 [0,2,0,0,0,0|2,0,0]=4 19748 B13R0.179 CC(C)OCCOCCCCC(=O)N 7a_100012022536_100000211751 [0,2,0,0,0,0|2,0,0]=4 19749 B13R0.179 CC(C)OCOCCCCCC(=O)N 34a_100000123541_100000709892 [0,2,0,0,0,0|2,0,0]=4 19750 B13R0.179 CC(C)OCSCCCCCC(=O)N 62a_100000709892_100009817443 [0,2,0,0,0,0|2,0,0]=4 19751 B13R0.179 CC(C)OCSCCCCCC(=O)N 62a_100009817443_100000709892 [0,2,0,0,0,0|2,0,0]=4 19752 B13R0.179 CC(C)SCCNCCCCC(=O)N 34a_100000696515_100000730970 [0,2,0,0,0,0|2,0,0]=4 19753 B13R0.179 CC(C)SCCOCCCCC(=O)N 34a_100012022536_100000730970 [0,2,0,0,0,0|2,0,0]=4 19754 B13R0.179 CC(C)SCCOCCCCC(=O)N 7a_100012022536_100000730970 [0,2,0,0,0,0|2,0,0]=4 19755 B13R0.179 CC(O)CCCNCCCCC(=O)N 34a_100000696515_200000718107 [0,2,0,0,0,0|1,0,0]=3 19756 B13R0.179 CC(O)CCCNCCOCC(=O)O 269956a_100000700818_200000718107 [0,2,0,0,0,0|2,0,0]=4 19757 B13R0.179 CC(O)CCCOCCCCC(=O)N 34a_100012022536_200000718107 [0,2,0,0,0,0|1,0,0]=3 19758 B13R0.179 CC(O)CCCOCCCCC(=O)N 7a_100012022536_200000718107 [0,2,0,0,0,0|1,0,0]=3 19759 B13R0.179 CC(O)CCCOCCCC[N+](=O)[O-] 34a_200015379883_200000718107 [0,2,0,0,0,0|2,0,0]=4 19760 B13R0.179 CC(O)CCCOCCCC[N+](=O)[O-] 7a_200015379883_200000718107 [0,2,0,0,0,0|2,0,0]=4 19761 B13R0.179 CC(O)CCCSCCOCC(=O)N 62a_100000076697_200000718107 [0,2,0,0,0,0|2,0,0]=4 19762 B13R0.179 CC(O)CCCSCCOCC(=O)N 62a_200000718107_100000076697 [0,2,0,0,0,0|2,0,0]=4 19763 B13R0.179 CC(O)CCNCCCCCC(=O)N 2230a_200000755665_100009817443 [0,2,0,0,0,0|1,0,0]=3 19764 B13R0.179 CC(O)CCOCCCCCC(=O)N 34a_100000123541_100012276601 [0,2,0,0,0,0|1,0,0]=3 19765 B13R0.179 CC(O)CCOCCCCCC(=O)N 7a_100000123541_100012276601 [0,2,0,0,0,0|1,0,0]=3 19766 B13R0.179 CC(O)CCOCCCCCC(=O)[O-] 7a_100102619762_100012276601 [0,2,0,0,0,0|1,0,0]=3 19767 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100009817443_100012276601 [0,2,0,0,0,0|1,0,0]=3 19768 B13R0.179 CC(O)CCSCCCCCC(=O)N 62a_100012276601_100009817443 [0,2,0,0,0,0|1,0,0]=3 19769 B13R0.179 CN(C)CCCCSCCCC(=O)N 62a_100102525003_100000690147 [0,2,0,0,0,0|2,0,0]=4 19770 B13R0.179 CN(C)CCCOCCCCC(=O)N 7a_100012022536_100000757444 [0,2,0,0,0,0|2,0,0]=4 19771 B13R0.179 CN(C)CCOCCCCCC(=O)N 7a_100000123541_100000755713 [0,2,0,0,0,0|2,0,0]=4 19772 B13R0.179 CN(C)CCOCCCCCC(=O)[O-] 7a_100102619762_100000755713 [0,2,0,0,0,0|2,0,0]=4 19773 B13R0.179 CN(C)CCSCCCCCC(=O)N 62a_100009817443_100000755713 [0,2,0,0,0,0|2,0,0]=4 19774 B13R0.179 C[C@@H](N)CCOCCCCCC(=O)N 34a_100000706166_100009817443 [0,2,0,0,0,0|1,0,0]=3 19775 B13R0.179 NC(=O)CCCCCOCCC(F)F 34a_100103093639_100009817443 [0,2,0,0,0,0|2,0,0]=4 19776 B13R0.202 C=C(C)COCCCCCC(C)CC 7a_200000035636_100000748629 [0,2,0,0,0,0|2,0,0]=4 19777 B13R0.202 C=C(F)COCCCCCC(C)CC 7a_200000035636_100000042424 [0,2,0,0,0,0|2,0,0]=4 19778 B13R0.202 C=CC(C)COCCCCCC(C)C 34a_100011215527_100000210682 [0,2,0,0,0,0|2,0,0]=4 19779 B13R0.202 C=CC(C)COCCCCCC(C)C 7a_100011215527_100000210682 [0,2,0,0,0,0|2,0,0]=4 19780 B13R0.202 C=CC(O)CNCCCCCC(C)C 2230a_100011290863_100000730141 [0,2,0,0,0,0|2,0,0]=4 19781 B13R0.202 C=CC(O)CNCCCCCC(C)C 34a_100011290863_100000730141 [0,2,0,0,0,0|2,0,0]=4 19782 B13R0.202 C=CC(O)COCCCCCC(C)C 34a_100011995859_100000730141 [0,2,0,0,0,0|2,0,0]=4 19783 B13R0.202 C=CC(O)COCCCCCC(C)C 7a_100011995859_100000730141 [0,2,0,0,0,0|2,0,0]=4 19784 B13R0.202 C=CC(O)CSCCCCCC(C)C 62a_100000210682_100000730141 [0,2,0,0,0,0|2,0,0]=4 19785 B13R0.202 C=CC(O)CSCCCCCC(C)C 62a_100000730141_100000210682 [0,2,0,0,0,0|2,0,0]=4 19786 B13R0.202 C=C[C@H](N)COCCCCCC(C)C 34a_100016989147_100000210682 [0,2,0,0,0,0|2,0,0]=4 19787 B13R0.202 CC(=O)CCCCNCCC(C)CO 34a_106354213184_100009817362 [0,2,0,0,0,0|2,0,0]=4 19788 B13R0.202 CC(=O)CCCOCCC[C@@H](C)CN 34a_100160569302_100000685027 [0,2,0,0,0,0|2,0,0]=4 19789 B13R0.202 CC(CN)COCCCCCC(=O)N 34a_100000744482_100009817443 [0,2,0,0,0,0|2,0,0]=4 19790 B13R0.202 CC(CO)CNCCCCCC(=O)N 34a_100000744482_100009817443 [0,2,0,0,0,0|2,0,0]=4 19791 B13R0.202 CCC(=O)COCCCCCC(=O)N 34a_100000725409_100009817443 [0,2,0,0,0,0|1,0,1]=4 19792 B13R0.202 CCC(=O)COCCCCCC(=O)N 7a_100000123541_100000747405 [0,2,0,0,0,0|1,0,1]=4 19793 B13R0.202 CCC(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000747405 [0,2,0,0,0,0|1,0,1]=4 19794 B13R0.202 CCC(=O)CSCCCCCC(=O)N 62a_100000747405_100009817443 [0,2,0,0,0,0|1,0,1]=4 19795 B13R0.202 CCC(=O)CSCCCCCC(=O)N 62a_100009817443_100000747405 [0,2,0,0,0,0|1,0,1]=4 19796 B13R0.202 CCC(C)CCCCCOCC(=O)N 7a_200000035636_100000187820 [0,2,0,0,0,0|1,0,0]=3 19797 B13R0.202 CCC(C)CCCOCCCC(=O)C 7a_100011216074_100011215641 [0,2,0,0,0,0|1,0,0]=3 19798 B13R0.202 CCC(C)CCCOCCCC(=O)N 7a_100011216074_100102525003 [0,2,0,0,0,0|1,0,0]=3 19799 B13R0.202 CCC(C)CCCOCCNC(=O)C 7a_100011216074_100000189650 [0,2,0,0,0,0|2,0,0]=4 19800 B13R0.202 CCC(C)CCCOCCNC(=O)N 7a_100011216074_200000034859 [0,2,0,0,0,0|2,0,0]=4 19801 B13R0.202 CCC(C)CCCOCCOC(=O)C 7a_100011216074_100009814007 [0,2,0,0,0,0|2,0,0]=4 19802 B13R0.202 CCC(C)CCCOCCOC(=O)N 7a_100011216074_200011214921 [0,2,0,0,0,0|2,0,0]=4 19803 B13R0.202 CCC(C)CCNCCCSC(=O)C 2230a_100020591266_100000038929 [0,2,0,0,0,0|2,0,0]=4 19804 B13R0.202 CCC(C)CCNCCOCC(=O)N 2230a_100020591266_100000076697 [0,2,0,0,0,0|2,0,0]=4 19805 B13R0.202 CCC(C)CCOCCCCC(=O)C 7a_100011215188_100000735457 [0,2,0,0,0,0|1,0,0]=3 19806 B13R0.202 CCC(C)CCOCCCOC(=O)C 7a_100011215188_100000042594 [0,2,0,0,0,0|2,0,0]=4 19807 B13R0.202 CCC(C)CCOCCCSC(=O)C 7a_100011215188_100000038929 [0,2,0,0,0,0|2,0,0]=4 19808 B13R0.202 CCC(C)CCOCCOCC(=O)N 7a_100011215188_100000076697 [0,2,0,0,0,0|2,0,0]=4 19809 B13R0.202 CCC(C)CNCCCCCC(=O)N 2230a_100020588543_100009817443 [0,2,0,0,0,0|1,0,0]=3 19810 B13R0.202 CCC(C)CNCCCCNC(=O)C 2230a_200011368371_100000748023 [0,2,0,0,0,0|2,0,0]=4 19811 B13R0.202 CCC(C)CNCCCCNC(=O)C 270004a_200011368371_100000243153 [0,2,0,0,0,0|2,0,0]=4 19812 B13R0.202 CCC(C)CNCCCCNC(=O)C 34a_200011368371_100000748023 [0,2,0,0,0,0|2,0,0]=4 19813 B13R0.202 CCC(C)CNCCCCSC(=O)C 2230a_100020588543_200010402107 [0,2,0,0,0,0|2,0,0]=4 19814 B13R0.202 CCC(C)COCCCCCC(=O)N 34a_100000123541_100000748023 [0,2,0,0,0,0|1,0,0]=3 19815 B13R0.202 CCC(C)COCCCCCC(=O)N 7a_100000123541_100000748023 [0,2,0,0,0,0|1,0,0]=3 19816 B13R0.202 CCC(C)COCCCCCC(=O)[O-] 7a_100102619762_100000748023 [0,2,0,0,0,0|1,0,0]=3 19817 B13R0.202 CCC(C)COCCCCOC(=O)C 34a_100000073216_100000748023 [0,2,0,0,0,0|2,0,0]=4 19818 B13R0.202 CCC(C)COCCCCOC(=O)C 7a_100000073216_100000748023 [0,2,0,0,0,0|2,0,0]=4 19819 B13R0.202 CCC(C)CSCCCCCC(=O)N 62a_100000748023_100009817443 [0,2,0,0,0,0|1,0,0]=3 19820 B13R0.202 CCC(C)CSCCCCCC(=O)N 62a_100009817443_100000748023 [0,2,0,0,0,0|1,0,0]=3 19821 B13R0.202 CCC(C)CSCCCCOC(=O)C 62a_100000033659_100000748023 [0,2,0,0,0,0|2,0,0]=4 19822 B13R0.202 CCC(C)CSCCCCOC(=O)C 62a_100000748023_100000033659 [0,2,0,0,0,0|2,0,0]=4 19823 B13R0.202 CCC(C)CSCCCCSC(=O)C 62a_100000748023_200010402107 [0,2,0,0,0,0|2,0,0]=4 19824 B13R0.202 CCC(C)CSCCCCSC(=O)C 62a_200010402107_100000748023 [0,2,0,0,0,0|2,0,0]=4 19825 B13R0.202 CCC(C)NCCCCCNC(=O)C 2230a_200012022750_100000758301 [0,2,0,0,0,0|2,0,0]=4 19826 B13R0.202 CCC(C)NCCCCCNC(=O)C 34a_200012022750_100011215416 [0,2,0,0,0,0|2,0,0]=4 19827 B13R0.202 CCC(C)NCCCCCOC(=O)C 2230a_100000209981_100009813381 [0,2,0,0,0,0|2,0,0]=4 19828 B13R0.202 CCC(C)OCCCCCOC(=O)C 7a_100000210228_100000033007 [0,2,0,0,0,0|2,0,0]=4 19829 B13R0.202 CCC(C)SCCCCCOC(=O)C 62a_100000033007_100000758301 [0,2,0,0,0,0|2,0,0]=4 19830 B13R0.202 CCC(C)SCCCCCOC(=O)C 62a_100000758301_100000033007 [0,2,0,0,0,0|2,0,0]=4 19831 B13R0.202 CCC(O)CNCCCCCC(=O)N 2230a_100011218483_100009817443 [0,2,0,0,0,0|1,0,0]=3 19832 B13R0.202 CCC(O)CNCCCCNC(=O)C 2230a_200011368371_100011218378 [0,2,0,0,0,0|2,0,0]=4 19833 B13R0.202 CCC(O)CNCCCCNC(=O)C 34a_200011368371_100011218378 [0,2,0,0,0,0|2,0,0]=4 19834 B13R0.202 CCC(O)CNCCCCSC(=O)C 2230a_100011218483_200010402107 [0,2,0,0,0,0|2,0,0]=4 19835 B13R0.202 CCC(O)COCCCCCC(=O)N 34a_100000123541_100011218378 [0,2,0,0,0,0|1,0,0]=3 19836 B13R0.202 CCC(O)COCCCCCC(=O)N 7a_100000123541_100011218378 [0,2,0,0,0,0|1,0,0]=3 19837 B13R0.202 CCC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011218378 [0,2,0,0,0,0|1,0,0]=3 19838 B13R0.202 CCC(O)COCCCCOC(=O)C 34a_100000073216_100011218378 [0,2,0,0,0,0|2,0,0]=4 19839 B13R0.202 CCC(O)COCCCCOC(=O)C 7a_100000073216_100011218378 [0,2,0,0,0,0|2,0,0]=4 19840 B13R0.202 CCC(O)CSCCCCCC(=O)N 62a_100009817443_100011218378 [0,2,0,0,0,0|1,0,0]=3 19841 B13R0.202 CCC(O)CSCCCCCC(=O)N 62a_100011218378_100009817443 [0,2,0,0,0,0|1,0,0]=3 19842 B13R0.202 CCC(O)CSCCCCOC(=O)C 62a_100000033659_100011218378 [0,2,0,0,0,0|2,0,0]=4 19843 B13R0.202 CCC(O)CSCCCCOC(=O)C 62a_100011218378_100000033659 [0,2,0,0,0,0|2,0,0]=4 19844 B13R0.202 CCC(O)CSCCCCSC(=O)C 62a_100011218378_200010402107 [0,2,0,0,0,0|2,0,0]=4 19845 B13R0.202 CCC(O)CSCCCCSC(=O)C 62a_200010402107_100011218378 [0,2,0,0,0,0|2,0,0]=4 19846 B13R0.202 CCN(C)CCCOCCCC(=O)C 7a_100000759063_100015186262 [0,2,0,0,0,0|2,0,0]=4 19847 B13R0.202 CCN(C)CCCSCCCC(=O)C 62a_100011215641_100015186262 [0,2,0,0,0,0|2,0,0]=4 19848 B13R0.202 CCN(C)CCCSCCCC(=O)N 62a_100102525003_100015186262 [0,2,0,0,0,0|2,0,0]=4 19849 B13R0.202 CC[C@H](C)CNCCCCNC(=O)C 2230a_200011368371_100009816398 [0,2,0,0,0,0|2,0,0]=4 19850 B13R0.202 CC[C@H](C)CNCCCCNC(=O)C 34a_200011368371_100009816398 [0,2,0,0,0,0|2,0,0]=4 19851 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 34a_100000123541_100009816398 [0,2,0,0,0,0|1,0,0]=3 19852 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 7a_100000123541_100009816398 [0,2,0,0,0,0|1,0,0]=3 19853 B13R0.202 CC[C@H](C)COCCCCCC(=O)N 7a_100009816381_100009817443 [0,2,0,0,0,0|1,0,0]=3 19854 B13R0.202 CC[C@H](C)COCCCCCC(=O)[O-] 7a_100102619762_100009816398 [0,2,0,0,0,0|1,0,0]=3 19855 B13R0.202 CC[C@H](C)COCCCCOC(=O)C 34a_100000073216_100009816398 [0,2,0,0,0,0|2,0,0]=4 19856 B13R0.202 CC[C@H](C)COCCCCOC(=O)C 7a_100000073216_100009816398 [0,2,0,0,0,0|2,0,0]=4 19857 B13R0.202 CC[C@H](C)COCCCCOC(=O)C 7a_100009816381_100000033659 [0,2,0,0,0,0|2,0,0]=4 19858 B13R0.202 CC[C@H](C)COCCCCSC(=O)C 7a_100009816381_200010402107 [0,2,0,0,0,0|2,0,0]=4 19859 B13R0.202 CC[C@H](C)CSCCCCCC(=O)N 62a_100009816398_100009817443 [0,2,0,0,0,0|1,0,0]=3 19860 B13R0.202 CC[C@H](C)CSCCCCCC(=O)N 62a_100009817443_100009816398 [0,2,0,0,0,0|1,0,0]=3 19861 B13R0.202 CC[C@H](C)CSCCCCOC(=O)C 62a_100000033659_100009816398 [0,2,0,0,0,0|2,0,0]=4 19862 B13R0.202 CC[C@H](C)CSCCCCOC(=O)C 62a_100009816398_100000033659 [0,2,0,0,0,0|2,0,0]=4 19863 B13R0.202 CC[C@H](C)CSCCCCSC(=O)C 62a_100009816398_200010402107 [0,2,0,0,0,0|2,0,0]=4 19864 B13R0.202 CC[C@H](C)CSCCCCSC(=O)C 62a_200010402107_100009816398 [0,2,0,0,0,0|2,0,0]=4 19865 B13R0.202 COC(=O)CCCCCCCC(=O)C 1458a_100000033222_200000210301 [0,2,0,0,0,0|1,0,1]=4 19866 B13R0.202 COC(=O)CCCCCCCC(=O)C 1458a_100000070787_100010004213 [0,2,0,0,0,0|1,0,1]=4 19867 B13R0.202 COC(=O)CCCCCCCC(=O)[13CH3] 1458a_100000033222_200025704644 [0,2,0,0,0,0|1,0,1]=4 19868 B13R0.202 COC(C)CCOCCCCC(=O)C 7a_100000764861_100000735457 [0,2,0,0,0,0|2,0,0]=4 19869 B13R0.202 COC(C)COCCCCCC(=O)N 34a_100000690652_100009817443 [0,2,0,0,0,0|2,0,0]=4 19870 B13R0.202 CO[C@H](C)CNCCCCCC(=O)N 2230a_100020591295_100009817443 [0,2,0,0,0,0|2,0,0]=4 19871 B13R0.202 C[C@@H](CN)CCCOCCCC(=O)N 34a_100160569302_100102525003 [0,2,0,0,0,0|2,0,0]=4 19872 B13R0.202 C[C@@H](CO)COCCCCCC(=O)N 34a_100000123541_100000059175 [0,2,0,0,0,0|2,0,0]=4 19873 B13R0.202 C[C@@H](CO)COCCCCCC(=O)N 7a_100000123541_100000059175 [0,2,0,0,0,0|2,0,0]=4 19874 B13R0.202 C[C@@H](CO)COCCCCCC(=O)[O-] 7a_100102619762_100000059175 [0,2,0,0,0,0|2,0,0]=4 19875 B13R0.202 C[C@@H](CO)CSCCCCCC(=O)N 62a_100000059175_100009817443 [0,2,0,0,0,0|2,0,0]=4 19876 B13R0.202 C[C@@H](CO)CSCCCCCC(=O)N 62a_100009817443_100000059175 [0,2,0,0,0,0|2,0,0]=4 19877 B13R0.202 NC(=O)CCCCCNC[C@@H](F)CO 34a_100015665980_100009817443 [0,2,0,0,0,0|2,0,0]=4 19878 B13R0.202 NC(=O)CCCCCNC[C@H](O)CO 2230a_100020644852_100009817443 [0,2,0,0,0,0|2,0,0]=4 19879 B13R0.202 NC(=O)CCCCCOCC(Cl)CCl 34a_100000033668_100009817443 [0,2,0,0,0,0|2,0,0]=4 19880 B13R0.202 NC(=O)CCCCCOCC(O)CO 34a_100000123541_100011219619 [0,2,0,0,0,0|2,0,0]=4 19881 B13R0.202 NC(=O)CCCCCOCC(O)CO 7a_100000123541_100011219619 [0,2,0,0,0,0|2,0,0]=4 19882 B13R0.202 NC(=O)CCCCCOC[C@@H](O)CF 34a_100000123541_100015614560 [0,2,0,0,0,0|2,0,0]=4 19883 B13R0.202 NC(=O)CCCCCOC[C@@H](O)CF 7a_100000123541_100015614560 [0,2,0,0,0,0|2,0,0]=4 19884 B13R0.202 NC(=O)CCCCCOC[C@@H](O)CO 34a_100000123541_100009815848 [0,2,0,0,0,0|2,0,0]=4 19885 B13R0.202 NC(=O)CCCCCOC[C@@H](O)CO 7a_100000123541_100009815848 [0,2,0,0,0,0|2,0,0]=4 19886 B13R0.202 NC(=O)CCCCCSCC(O)CO 62a_100009817443_100011219619 [0,2,0,0,0,0|2,0,0]=4 19887 B13R0.202 NC(=O)CCCCCSCC(O)CO 62a_100011219619_100009817443 [0,2,0,0,0,0|2,0,0]=4 19888 B13R0.202 NC(=O)CCCCCSC[C@@H](O)CF 62a_100009817443_100015614560 [0,2,0,0,0,0|2,0,0]=4 19889 B13R0.202 NC(=O)CCCCCSC[C@@H](O)CF 62a_100015614560_100009817443 [0,2,0,0,0,0|2,0,0]=4 19890 B13R0.202 NC(=O)CCCCCSC[C@@H](O)CO 62a_100009815848_100009817443 [0,2,0,0,0,0|2,0,0]=4 19891 B13R0.202 NC(=O)CCCCCSC[C@@H](O)CO 62a_100009817443_100009815848 [0,2,0,0,0,0|2,0,0]=4 19892 B13R0.202 NC[C@@H](F)COCCCCCC(=O)N 34a_100015665980_100009817443 [0,2,0,0,0,0|2,0,0]=4 19893 B13R0.202 O=C([O-])CCCCCOCC(O)CO 7a_100102619762_100011219619 [0,2,0,0,0,0|2,0,0]=4 19894 B13R0.202 O=C([O-])CCCCCOC[C@@H](O)CF 7a_100102619762_100015614560 [0,2,0,0,0,0|2,0,0]=4 19895 B13R0.202 O=C([O-])CCCCCOC[C@@H](O)CO 7a_100102619762_100009815848 [0,2,0,0,0,0|2,0,0]=4 19896 B13R0.280 C=CCCCCCCCNC(C)(C)C 2230a_100000715429_100012355270 [0,2,0,0,0,0|2,0,0]=4 19897 B13R0.280 C=CCCCCCCCOC(C)(C)C 34a_100000730831_100000210625 [0,2,0,0,0,0|2,0,0]=4 19898 B13R0.280 C=CCCCCCCCOC(C)(C)C 34a_100015890283_100012355270 [0,2,0,0,0,0|2,0,0]=4 19899 B13R0.280 C=CCCCCCCCOC(C)(C)C 7a_100015890283_100012355270 [0,2,0,0,0,0|2,0,0]=4 19900 B13R0.280 C=CCCCCCCNCC(C)(C)C 2230a_100000743828_100011215473 [0,2,0,0,0,0|2,0,0]=4 19901 B13R0.280 C=CCCCCCCNCC(C)(C)F 2230a_100020643315_100011215473 [0,2,0,0,0,0|2,0,0]=4 19902 B13R0.280 C=CCCCCCCNCC(C)(C)O 2230a_100000751335_100011215473 [0,2,0,0,0,0|2,0,0]=4 19903 B13R0.280 C=CCCCCCCOCC(C)(C)C 34a_200011216477_100011219605 [0,2,0,0,0,0|2,0,0]=4 19904 B13R0.280 C=CCCCCCCOCC(C)(C)F 34a_100000716592_100011215473 [0,2,0,0,0,0|2,0,0]=4 19905 B13R0.280 C=CCCCCCCOCC(C)(C)F 34a_200011216477_100011997219 [0,2,0,0,0,0|2,0,0]=4 19906 B13R0.280 C=CCCCCCCOCC(C)(C)O 34a_200011216477_100000764493 [0,2,0,0,0,0|2,0,0]=4 19907 B13R0.280 C=CCCCCCCOCC(C)(C)O 7a_200011216477_100000764493 [0,2,0,0,0,0|2,0,0]=4 19908 B13R0.280 C=CCCCCCCOCC(C)(F)F 34a_100000068830_100011215473 [0,2,0,0,0,0|2,0,0]=4 19909 B13R0.280 C=CCCCCCCSCC(C)(C)C 62a_100011215473_100011219605 [0,2,0,0,0,0|2,0,0]=4 19910 B13R0.280 C=CCCCCCCSCC(C)(C)C 62a_100011219605_100011215473 [0,2,0,0,0,0|2,0,0]=4 19911 B13R0.280 C=CCCCCCCSCC(C)(C)F 62a_100011215473_100011997219 [0,2,0,0,0,0|2,0,0]=4 19912 B13R0.280 C=CCCCCCCSCC(C)(C)F 62a_100011997219_100011215473 [0,2,0,0,0,0|2,0,0]=4 19913 B13R0.280 C=CCCCCCCSCC(C)(C)O 62a_100000764493_100011215473 [0,2,0,0,0,0|2,0,0]=4 19914 B13R0.280 C=CCCCCCCSCC(C)(C)O 62a_100011215473_100000764493 [0,2,0,0,0,0|2,0,0]=4 19915 B13R0.280 C=CCCCCCNCCC(C)(C)C 2230a_100000738805_100000700193 [0,2,0,0,0,0|2,0,0]=4 19916 B13R0.280 C=CCCCCCNCCC(C)(C)F 2230a_100016253952_100000700193 [0,2,0,0,0,0|2,0,0]=4 19917 B13R0.280 C=CCCCCCOCCC(C)(C)C 34a_100011216702_100000755188 [0,2,0,0,0,0|2,0,0]=4 19918 B13R0.280 C=CCCCCCOCCC(C)(C)C 7a_100000765024_100000700193 [0,2,0,0,0,0|2,0,0]=4 19919 B13R0.280 C=CCCCCCOCCC(C)(C)C 7a_100011216702_100000755188 [0,2,0,0,0,0|2,0,0]=4 19920 B13R0.280 C=CCCCCCOCCC(C)(C)O 34a_100011216702_100000702414 [0,2,0,0,0,0|2,0,0]=4 19921 B13R0.280 C=CCCCCCOCCC(C)(C)O 7a_100011216702_100000702414 [0,2,0,0,0,0|2,0,0]=4 19922 B13R0.280 C=CCCCCCSCCC(C)(C)C 62a_100000700193_100000755188 [0,2,0,0,0,0|2,0,0]=4 19923 B13R0.280 C=CCCCCCSCCC(C)(C)C 62a_100000755188_100000700193 [0,2,0,0,0,0|2,0,0]=4 19924 B13R0.280 C=CCCCCCSCCC(C)(C)O 62a_100000700193_100000702414 [0,2,0,0,0,0|2,0,0]=4 19925 B13R0.280 C=CCCCCCSCCC(C)(C)O 62a_100000702414_100000700193 [0,2,0,0,0,0|2,0,0]=4 19926 B13R0.280 C=CCCCCNCCCC(C)(C)O 2230a_100000703577_100009888830 [0,2,0,0,0,0|2,0,0]=4 19927 B13R0.280 C=CCCCCNCCCC(C)(C)O 34a_100000703577_100009888830 [0,2,0,0,0,0|2,0,0]=4 19928 B13R0.280 C=CCCCCOCCCC(C)(C)O 34a_100000766645_100009888830 [0,2,0,0,0,0|2,0,0]=4 19929 B13R0.280 C=CCCCCOCCCC(C)(C)O 7a_100000766645_100009888830 [0,2,0,0,0,0|2,0,0]=4 19930 B13R0.280 C=CCCCCSCCCC(C)(C)O 62a_100009888830_100011215482 [0,2,0,0,0,0|2,0,0]=4 19931 B13R0.280 C=CCCCCSCCCC(C)(C)O 62a_100011215482_100009888830 [0,2,0,0,0,0|2,0,0]=4 19932 B13R0.280 C=CCCNCCCCCC(C)(C)O 2230a_100015191253_100010402123 [0,2,0,0,0,0|2,0,0]=4 19933 B13R0.280 C=CCCOCCCCCC(C)(C)O 34a_100011205117_100010402123 [0,2,0,0,0,0|2,0,0]=4 19934 B13R0.280 C=CCCSCCCCCC(C)(C)O 62a_100000754431_100010402123 [0,2,0,0,0,0|2,0,0]=4 19935 B13R0.280 C=CCCSCCCCCC(C)(C)O 62a_100010402123_100000754431 [0,2,0,0,0,0|2,0,0]=4 19936 B13R0.280 CC(C)(C)CCNCCCCCC=O 2230a_100000738805_100000139337 [0,2,0,0,0,0|1,0,0]=3 19937 B13R0.280 CC(C)(C)CCOCCCCCC=O 7a_100000765024_100000139337 [0,2,0,0,0,0|1,0,0]=3 19938 B13R0.280 CC(C)(C)CCSCCCCCC=O 62a_100000139337_100000755188 [0,2,0,0,0,0|1,0,0]=3 19939 B13R0.280 CC(C)(C)CCSCCCCCC=O 62a_100000755188_100000139337 [0,2,0,0,0,0|1,0,0]=3 19940 B13R0.280 CC(C)(C)OCCCNCCCC=O 2230a_100011250582_200011292268 [0,2,0,0,0,0|2,0,0]=4 19941 B13R0.280 CC(C)(C)OCCNCCCCC=O 2230a_100000747557_100000139335 [0,2,0,0,0,0|2,0,0]=4 19942 B13R0.280 CC(C)(C)OCCOCCCCC=O 7a_100000693234_100000139335 [0,2,0,0,0,0|2,0,0]=4 19943 B13R0.280 CC(C)(C)SCCNCCCCC=O 2230a_100000689375_100000139335 [0,2,0,0,0,0|2,0,0]=4 19944 B13R0.280 CC(C)(F)CCNCCCCCC=O 2230a_100016253952_100000139337 [0,2,0,0,0,0|1,0,0]=3 19945 B13R0.280 CC(C)(O)CCCSCCCCC=O 62a_100000139335_100009888830 [0,2,0,0,0,0|1,0,0]=3 19946 B13R0.280 CC(C)(O)CCCSCCCCC=O 62a_100009888830_100000139335 [0,2,0,0,0,0|1,0,0]=3 19947 B13R0.280 CC(C)(O)CCSCCCCCC=O 62a_100000139337_100000702414 [0,2,0,0,0,0|1,0,0]=3 19948 B13R0.280 CC(C)(O)CCSCCCCCC=O 62a_100000702414_100000139337 [0,2,0,0,0,0|1,0,0]=3 19949 B13R0.280 CCCCCCCCCNS(=O)(=O)C 40a_100000212291_100000738038 [0,2,0,0,0,0|2,0,0]=4 19950 B13R0.280 CCCCCCCCNCS(=O)(=O)[O-] 34a_100000229939_100009817235 [0,2,0,0,0,0|2,0,0]=4 19951 B13R0.280 CCCCCCCCOCS(=O)(=O)[O-] 34a_100000210232_100009817235 [0,2,0,0,0,0|2,0,0]=4 19952 B13R0.280 CCCCCCCCSCS(=O)(=O)N 62a_100000210759_100000741382 [0,2,0,0,0,0|2,0,0]=4 19953 B13R0.280 CCCCCCCCSCS(=O)(=O)N 62a_100000741382_100000210317 [0,2,0,0,0,0|2,0,0]=4 19954 B13R0.280 CCCCCCCCSCS(=O)(=O)[O-] 62a_100000210759_100009817235 [0,2,0,0,0,0|2,0,0]=4 19955 B13R0.280 CCCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210317 [0,2,0,0,0,0|2,0,0]=4 19956 B13R0.280 CCCCCCCNCCS(=O)(=O)C 2230a_100000229938_100000731031 [0,2,0,0,0,0|2,0,0]=4 19957 B13R0.280 CCCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210681 [0,2,0,0,0,0|2,0,0]=4 19958 B13R0.280 CCCCCCCNCCS(=O)(=O)C 34a_100000740961_100000210614 [0,2,0,0,0,0|2,0,0]=4 19959 B13R0.280 CCCCCCCNCCS(=O)(=O)N 2230a_100000738205_100000210681 [0,2,0,0,0,0|2,0,0]=4 19960 B13R0.280 CCCCCCCNCCS(=O)(=O)N 34a_100000738205_100000210614 [0,2,0,0,0,0|2,0,0]=4 19961 B13R0.280 CCCCCCCNCCS(=O)(=O)[O-] 2230a_100000229938_100000737633 [0,2,0,0,0,0|2,0,0]=4 19962 B13R0.280 CCCCCCCOCCS(=O)(=O)C 34a_100000210272_100000731031 [0,2,0,0,0,0|2,0,0]=4 19963 B13R0.280 CCCCCCCOCCS(=O)(=O)C 34a_100000211924_100000210614 [0,2,0,0,0,0|2,0,0]=4 19964 B13R0.280 CCCCCCCOCCS(=O)(=O)C 7a_100000210272_100000230027 [0,2,0,0,0,0|2,0,0]=4 19965 B13R0.280 CCCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210614 [0,2,0,0,0,0|2,0,0]=4 19966 B13R0.280 CCCCCCCOCCS(=O)(=O)N 34a_100012334274_100000210614 [0,2,0,0,0,0|2,0,0]=4 19967 B13R0.280 CCCCCCCOCCS(=O)(=O)[O-] 34a_100000210272_100000762736 [0,2,0,0,0,0|2,0,0]=4 19968 B13R0.280 CCCCCCCSCCS(=O)(=O)C 62a_100000210614_100000230027 [0,2,0,0,0,0|2,0,0]=4 19969 B13R0.280 CCCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210316 [0,2,0,0,0,0|2,0,0]=4 19970 B13R0.280 CCCCCCCSCCS(=O)(=O)[O-] 62a_100000210614_100000762736 [0,2,0,0,0,0|2,0,0]=4 19971 B13R0.280 CCCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210316 [0,2,0,0,0,0|2,0,0]=4 19972 B13R0.280 CCCCCCNCCCS(=O)(=O)C 2230a_100000210581_100000754308 [0,2,0,0,0,0|2,0,0]=4 19973 B13R0.280 CCCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210314 [0,2,0,0,0,0|2,0,0]=4 19974 B13R0.280 CCCCCCNCCCS(=O)(=O)C 34a_100000742409_100000210314 [0,2,0,0,0,0|2,0,0]=4 19975 B13R0.280 CCCCCCNCCCS(=O)(=O)N 2230a_100000210581_100000750626 [0,2,0,0,0,0|2,0,0]=4 19976 B13R0.280 CCCCCCOCCCS(=O)(=O)C 34a_100000210259_100000754308 [0,2,0,0,0,0|2,0,0]=4 19977 B13R0.280 CCCCCCOCCCS(=O)(=O)C 34a_100000689940_100000210314 [0,2,0,0,0,0|2,0,0]=4 19978 B13R0.280 CCCCCCOCCCS(=O)(=O)C 7a_100000210259_100000754308 [0,2,0,0,0,0|2,0,0]=4 19979 B13R0.280 CCCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210314 [0,2,0,0,0,0|2,0,0]=4 19980 B13R0.280 CCCCCCOCCCS(=O)(=O)N 34a_100000210259_100000750626 [0,2,0,0,0,0|2,0,0]=4 19981 B13R0.280 CCCCCCOCCCS(=O)(=O)N 7a_100000210259_100000750626 [0,2,0,0,0,0|2,0,0]=4 19982 B13R0.280 CCCCCCOCCCS(=O)(=O)[O-] 34a_100000210259_100009813499 [0,2,0,0,0,0|2,0,0]=4 19983 B13R0.280 CCCCCCSCCCS(=O)(=O)C 62a_100000210314_100000754308 [0,2,0,0,0,0|2,0,0]=4 19984 B13R0.280 CCCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210757 [0,2,0,0,0,0|2,0,0]=4 19985 B13R0.280 CCCCCCSCCCS(=O)(=O)N 62a_100000210314_100000750626 [0,2,0,0,0,0|2,0,0]=4 19986 B13R0.280 CCCCCCSCCCS(=O)(=O)N 62a_100000750626_100000210757 [0,2,0,0,0,0|2,0,0]=4 19987 B13R0.280 CCCCCCSCCCS(=O)(=O)[O-] 62a_100000210314_100009813499 [0,2,0,0,0,0|2,0,0]=4 19988 B13R0.280 CCCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210757 [0,2,0,0,0,0|2,0,0]=4 19989 B13R0.280 CS(=O)(=O)CCCNCCCCC=O 2230a_100000742409_100000139335 [0,2,0,0,0,0|2,0,0]=4 19990 B13R0.280 CS(=O)(=O)CCCOCCCCC=O 7a_100000689940_100000139335 [0,2,0,0,0,0|2,0,0]=4 19991 B13R0.280 CS(=O)(=O)CCCSCCCCC=O 62a_100000139335_100000754308 [0,2,0,0,0,0|2,0,0]=4 19992 B13R0.280 CS(=O)(=O)CCCSCCCCC=O 62a_100000754308_100000139335 [0,2,0,0,0,0|2,0,0]=4 19993 B13R0.280 CS(=O)(=O)CCNCCCCCC=O 2230a_100000740961_100000139337 [0,2,0,0,0,0|2,0,0]=4 19994 B13R0.280 CS(=O)(=O)CCOCCCCCC=O 7a_100000211924_100000139337 [0,2,0,0,0,0|2,0,0]=4 19995 B13R0.280 CS(=O)(=O)CCSCCCCCC=O 62a_100000139337_100000230027 [0,2,0,0,0,0|2,0,0]=4 19996 B13R0.280 CS(=O)(=O)CCSCCCCCC=O 62a_100000731031_100000139337 [0,2,0,0,0,0|2,0,0]=4 19997 B13R0.280 C[N+](C)(C)CCCCCCSCC=O 62a_100009996864_200015260668 [0,2,0,0,0,0|2,0,0]=4 19998 B13R0.280 C[N+](C)(C)CCCCCCSCC=O 62a_200015260668_100009996864 [0,2,0,0,0,0|2,0,0]=4 19999 B13R0.280 C[N+](C)(C)CCCSCCCCC=O 62a_100000139335_100016990835 [0,2,0,0,0,0|2,0,0]=4 20000 B13R0.280 C[N+](C)(C)CCCSCCCCC=O 62a_100016990835_100000139335 [0,2,0,0,0,0|2,0,0]=4 20001 B13R0.280 C[N+](C)(C)CCOCCCCCC=O 7a_200020618287_100000139337 [0,2,0,0,0,0|2,0,0]=4 20002 B13R0.280 C[N+](C)(C)CCSCCCCCC=O 62a_100000085578_100000139337 [0,2,0,0,0,0|2,0,0]=4 20003 B13R0.280 C[N+](C)(C)CCSCCCCCC=O 62a_100000139337_100000085578 [0,2,0,0,0,0|2,0,0]=4 20004 B13R0.280 C[Si](C)(C)CCCCOCCCC=O 7a_200009881916_200011292268 [0,2,0,0,0,0|1,1,0]=4 20005 B13R0.280 C[Si](C)(C)CCCOCCCCC=O 7a_200011215415_100000139335 [0,2,0,0,0,0|1,1,0]=4 20006 B13R0.280 C[Si](C)(C)CCCSCCCCC=O 62a_100000139335_100011219597 [0,2,0,0,0,0|1,1,0]=4 20007 B13R0.280 C[Si](C)(C)CCCSCCCCC=O 62a_100011219597_100000139335 [0,2,0,0,0,0|1,1,0]=4 20008 B13R0.280 C[Si](C)(C)CCOCCCCCC=O 7a_100000039746_100000139337 [0,2,0,0,0,0|1,1,0]=4 20009 B13R0.280 C[Si](C)(C)CCSCCCCCC=O 62a_100000139337_200000733723 [0,2,0,0,0,0|1,1,0]=4 20010 B13R0.280 C[Si](C)(C)CCSCCCCCC=O 62a_200000733723_100000139337 [0,2,0,0,0,0|1,1,0]=4 20011 B13R0.280 O=CCCCCCNCCC(F)(F)F 2230a_100000740434_100000139337 [0,2,0,0,0,0|2,0,0]=4 20012 B13R0.280 O=CCCCCCSCCC(F)(F)F 62a_100000139337_100011219754 [0,2,0,0,0,0|2,0,0]=4 20013 B13R0.280 O=CCCCCCSCCC(F)(F)F 62a_100011219754_100000139337 [0,2,0,0,0,0|2,0,0]=4 20014 B13R0.280 O=CCCCCNCCCC(F)(F)F 2230a_100000727188_100000139335 [0,2,0,0,0,0|2,0,0]=4 20015 B13R0.280 O=CCCCCSCCCC(F)(F)F 62a_100000139335_100011216173 [0,2,0,0,0,0|2,0,0]=4 20016 B13R0.280 O=CCCCCSCCCC(F)(F)F 62a_100011216173_100000139335 [0,2,0,0,0,0|2,0,0]=4 20017 B13R0.280 O=CCCCOCCCCC(F)(F)F 7a_100000749236_200011292268 [0,2,0,0,0,0|2,0,0]=4 20018 B13R0.280 O=CCCCSCCCCC(F)(F)F 62a_100000692467_200011292268 [0,2,0,0,0,0|2,0,0]=4 20019 B13R0.280 O=CCCCSCCCCC(F)(F)F 62a_200011292268_100000692467 [0,2,0,0,0,0|2,0,0]=4 20020 B13R0.412 C#CC(CC)OCCCCCCC=C 34a_100000758843_100011215473 [0,2,0,0,0,0|2,0,0]=4 20021 B13R0.412 C#CC(CC)OCCCCCCC=C 7a_100000758843_100011215473 [0,2,0,0,0,0|2,0,0]=4 20022 B13R0.412 C=CC(C=C)OCCCCCCCC 34a_100000033096_100000210759 [0,2,0,0,0,0|2,0,0]=4 20023 B13R0.412 C=CC(CC)OCCCCCCCC 34a_100000766422_100000210759 [0,2,0,0,0,0|2,0,0]=4 20024 B13R0.412 C=CC(CC)OCCCCCCCC 7a_100000766422_100000210759 [0,2,0,0,0,0|2,0,0]=4 20025 B13R0.412 C=CCCCCCCCN(CC)CC 2230a_100000724800_100012355270 [0,2,0,0,0,0|2,0,0]=4 20026 B13R0.412 C=CCCCCCCCN(CC)CC 269956a_100000042499_100012355270 [0,2,0,0,0,0|2,0,0]=4 20027 B13R0.412 C=CCCCCCCCN(CC)CC 269982a_100000724800_100012355270 [0,2,0,0,0,0|2,0,0]=4 20028 B13R0.412 C=CCCCCCCNC(CC)CC 2230a_100000199018_100011215473 [0,2,0,0,0,0|2,0,0]=4 20029 B13R0.412 C=CCCCCCCN[C@@H](CC)CO 2230a_100000709445_100011215473 [0,2,0,0,0,0|2,0,0]=4 20030 B13R0.412 C=CCCCCCCOC(C=C)CC 34a_100000766422_100011215473 [0,2,0,0,0,0|2,0,0]=4 20031 B13R0.412 C=CCCCCCCOC(C=C)CC 7a_100000766422_100011215473 [0,2,0,0,0,0|2,0,0]=4 20032 B13R0.412 C=CCCCCCCOC(CC)CC 7a_100000688536_100011215473 [0,2,0,0,0,0|2,0,0]=4 20033 B13R0.412 C=CCCCCCCOC(CC)CC 7a_200011216477_100000210505 [0,2,0,0,0,0|2,0,0]=4 20034 B13R0.412 C=CCCCCCNCC(CC)CC 2230a_100102946423_100000700193 [0,2,0,0,0,0|2,0,0]=4 20035 B13R0.412 C=CCCCCCOCC(CC)CC 34a_100011216702_100011215472 [0,2,0,0,0,0|2,0,0]=4 20036 B13R0.412 C=CCCCCCOCC(CC)CC 7a_100000703878_100000700193 [0,2,0,0,0,0|2,0,0]=4 20037 B13R0.412 C=CCCCCCOCC(CC)CC 7a_100011216702_100011215472 [0,2,0,0,0,0|2,0,0]=4 20038 B13R0.412 C=CCCCCCOCC(CC)OC 34a_100011934954_100000700193 [0,2,0,0,0,0|2,0,0]=4 20039 B13R0.412 C=CCCCCCOCC(CC)OC 7a_100011934954_100000700193 [0,2,0,0,0,0|2,0,0]=4 20040 B13R0.412 C=CCCCCCSCC(CC)CC 62a_100000700193_100011215472 [0,2,0,0,0,0|2,0,0]=4 20041 B13R0.412 C=CCCCCCSCC(CC)CC 62a_100011215472_100000700193 [0,2,0,0,0,0|2,0,0]=4 20042 B13R0.412 C=C[C@@H](CO)NCCCCCCCC 2230a_100016989147_100000210759 [0,2,0,0,0,0|2,0,0]=4 20043 B13R0.412 C=C[C@@H](CO)NCCCCCCCC 34a_100016989147_100000210759 [0,2,0,0,0,0|2,0,0]=4 20044 B13R0.412 CCC(CC)CNCCCCCC=O 2230a_100102946423_100000139337 [0,2,0,0,0,0|1,0,0]=3 20045 B13R0.412 CCC(CC)COCCCCCC=O 7a_100000703878_100000139337 [0,2,0,0,0,0|1,0,0]=3 20046 B13R0.412 CCC(CC)CSCCCCCC=O 62a_100000139337_100011215472 [0,2,0,0,0,0|1,0,0]=3 20047 B13R0.412 CCC(CC)CSCCCCCC=O 62a_100011215472_100000139337 [0,2,0,0,0,0|1,0,0]=3 20048 B13R0.412 CCC(COCCCCCC=O)OC 7a_100011934954_100000139337 [0,2,0,0,0,0|1,0,0]=3 20049 B13R0.412 CCCCCCCCNC(C=O)C=O 2230a_100000229939_100000736813 [0,2,0,0,0,0|1,0,0]=3 20050 B13R0.412 CCCCCCCCNC(C=O)C=O 34a_100000229939_100000736813 [0,2,0,0,0,0|1,0,0]=3 20051 B13R0.412 CCCCCCCCOC(C=O)C=O 34a_100000210232_100000736813 [0,2,0,0,0,0|1,0,0]=3 20052 B13R0.412 CCCCCCCCSC(C=O)C=O 62a_100000210759_100000736813 [0,2,0,0,0,0|1,0,0]=3 20053 B13R0.412 CCCCCCCCSC(C=O)C=O 62a_100000736813_100000210317 [0,2,0,0,0,0|1,0,0]=3 20054 B13R0.412 CCCCCNCCOC(C=O)C=O 34a_100000224656_100000736813 [0,2,0,0,0,0|2,0,0]=4 20055 B13R0.412 CCCCCOCCOC(C=O)C=O 34a_100011215259_100000736813 [0,2,0,0,0,0|2,0,0]=4 20056 B13R0.412 CCCCOCCCNC(C=O)C=O 2230a_200000211371_100000736813 [0,2,0,0,0,0|2,0,0]=4 20057 B13R0.412 CCCCOCCCNC(C=O)C=O 34a_200000211371_100000736813 [0,2,0,0,0,0|2,0,0]=4 20058 B13R0.412 CCCCOCCCOC(C=O)C=O 34a_200011215613_100000736813 [0,2,0,0,0,0|2,0,0]=4 20059 B13R0.412 CCN(CC)CCCCCNCC=O 2230a_100011491781_200015260668 [0,2,0,0,0,0|2,0,0]=4 20060 B13R0.412 CCN(CC)CCCCCOCC=O 7a_200011629222_200015260668 [0,2,0,0,0,0|2,0,0]=4 20061 B13R0.412 CCN(CC)CCCOCCCC=O 7a_100000212844_200011292268 [0,2,0,0,0,0|2,0,0]=4 20062 B13R0.412 CCN(CC)CCCSCCCC=O 62a_200011292268_100000709985 [0,2,0,0,0,0|2,0,0]=4 20063 B13R0.412 CCN(CC)CCNCCCCC=O 2230a_100015382049_100000139335 [0,2,0,0,0,0|2,0,0]=4 20064 B13R0.412 CCN(CC)CCOCCCCC=O 7a_100016990331_100000139335 [0,2,0,0,0,0|2,0,0]=4 20065 B13R0.412 CCN(CC)CCSCCCCC=O 62a_100000139335_100000700428 [0,2,0,0,0,0|2,0,0]=4 20066 B13R0.412 CCN(CC)COCCCCCC=O 7a_200015374951_100000139337 [0,2,0,0,0,0|2,0,0]=4 20067 B13R0.412 COC(CCCSCCCC=O)OC 62a_100000069011_200011292268 [0,2,0,0,0,0|2,0,0]=4 20068 B13R0.412 COC(CCCSCCCC=O)OC 62a_200011292268_100000069011 [0,2,0,0,0,0|2,0,0]=4 20069 B13R0.412 COC(CCSCCCCC=O)OC 62a_100000139335_100000139399 [0,2,0,0,0,0|2,0,0]=4 20070 B13R0.412 COC(CCSCCCCC=O)OC 62a_100000139399_100000139335 [0,2,0,0,0,0|2,0,0]=4 20071 B13R0.412 COC(CSCCCCCC=O)OC 62a_100000139337_100000751394 [0,2,0,0,0,0|2,0,0]=4 20072 B13R0.412 COC(CSCCCCCC=O)OC 62a_100000751394_100000139337 [0,2,0,0,0,0|2,0,0]=4 20073 B13R0.412 COCCCCCCOC(C=O)C=O 34a_200012092642_100000736813 [0,2,0,0,0,0|2,0,0]=4 20074 B13R0.412 COCCCCCCSC(C=O)C=O 62a_100000736813_100011998445 [0,2,0,0,0,0|2,0,0]=4 20075 B13R0.412 COCCCCCCSC(C=O)C=O 62a_100011998445_100000736813 [0,2,0,0,0,0|2,0,0]=4 20076 B13R0.412 NCCCCCCCOC(C=O)C=O 34a_100011996573_100000736813 [0,2,0,0,0,0|2,0,0]=4 20077 B13R0.412 O=CC(C=O)NCCCCCCCO 2230a_100011996573_100000736813 [0,2,0,0,0,0|2,0,0]=4 20078 B13R0.412 O=CC(C=O)NCCCCCCCO 34a_100011996573_100000736813 [0,2,0,0,0,0|2,0,0]=4 20079 B13R0.412 O=CC(C=O)OCCCCCCCBr 34a_100000760002_100000736813 [0,2,0,0,0,0|2,0,0]=4 20080 B13R0.412 O=CC(C=O)SCCCCCCCO 62a_100000736813_100000760002 [0,2,0,0,0,0|2,0,0]=4 20081 B13R0.412 O=CC(C=O)SCCCCCCCO 62a_100000760002_100000736813 [0,2,0,0,0,0|2,0,0]=4 20082 B13R0.1215 C=CC(C)(C)OCCCCCCCC 34a_100011215311_100000210759 [0,2,0,0,0,0|2,0,0]=4 20083 B13R0.1215 C=CC(C)(C)OCCCCCCCC 7a_100011215311_100000210759 [0,2,0,0,0,0|2,0,0]=4 20084 B13R0.1215 C=CC(F)(F)SCCCCCCCC 62a_100000210759_100009814244 [0,2,0,0,0,0|2,0,0]=4 20085 B13R0.1215 C=CC(F)(F)SCCCCCCCC 62a_100009814244_100000210317 [0,2,0,0,0,0|2,0,0]=4 20086 B13R0.1215 C=CCCCCCCNC(C)(C)CC 2230a_100000211385_100011215473 [0,2,0,0,0,0|2,0,0]=4 20087 B13R0.1215 C=CCCCCCCOC(C)(C)CC 7a_100000210230_100011215473 [0,2,0,0,0,0|2,0,0]=4 20088 B13R0.1215 C=CCCCCCCOC(C)(C)CC 7a_200011216477_100000210677 [0,2,0,0,0,0|2,0,0]=4 20089 B13R0.1215 C=CCCCCCOCC(C)(C)CC 7a_100000765029_100000700193 [0,2,0,0,0,0|2,0,0]=4 20090 B13R0.1215 CC(C)(CCl)COCCCCCC=O 7a_100011217199_100000139337 [0,2,0,0,0,0|2,0,0]=4 20091 B13R0.1215 CC(C)(CO)CCCNCCCC=O 2230a_100000039164_200011292268 [0,2,0,0,0,0|2,0,0]=4 20092 B13R0.1215 CC(C)(CO)CNCCCCCC=O 2230a_100020635058_100000139337 [0,2,0,0,0,0|2,0,0]=4 20093 B13R0.1215 CC(C)(CO)CSCCCCCC=O 62a_100000139337_100009813988 [0,2,0,0,0,0|2,0,0]=4 20094 B13R0.1215 CC(C)(CO)CSCCCCCC=O 62a_100009813988_100000139337 [0,2,0,0,0,0|2,0,0]=4 20095 B13R0.1215 CCC(C)(C)COCCCCCC=O 7a_100000765029_100000139337 [0,2,0,0,0,0|1,0,0]=3 20096 B13R0.1215 CCS(=O)(=O)CCNCCCCC=O 2230a_100000751051_100000139335 [0,2,0,0,0,0|2,0,0]=4 20097 B13R0.1215 CCS(=O)(=O)CCOCCCCC=O 7a_200011216379_100000139335 [0,2,0,0,0,0|2,0,0]=4 20098 B13R0.1215 CCS(=O)(=O)CCSCCCCC=O 62a_100000139335_100000756660 [0,2,0,0,0,0|2,0,0]=4 20099 B13R0.1215 CCS(=O)(=O)CCSCCCCC=O 62a_100000756660_100000139335 [0,2,0,0,0,0|2,0,0]=4 20100 B13R0.1215 COC(C)(C)CCOCCCCC=O 7a_100000699976_100000139335 [0,2,0,0,0,0|2,0,0]=4 20101 B13R0.1215 COC(C)(C)CNCCCCCC=O 2230a_100000763424_100000139337 [0,2,0,0,0,0|2,0,0]=4 20102 B13R0.1215 COC(C)(C)CSCCCCCC=O 62a_100000139337_100000701081 [0,2,0,0,0,0|2,0,0]=4 20103 B13R0.1215 COC(C)(C)CSCCCCCC=O 62a_100000701081_100000139337 [0,2,0,0,0,0|2,0,0]=4 20104 B11R1.4 BrCCCCOC1CCCC1 34a_100011216708_100000179811 [1,0,0,1,0,0|2,0,0]=4 20105 B11R1.4 BrCCCOCC1CCCC1 34a_100011217188_100000740388 [1,0,0,1,0,0|2,0,0]=4 20106 B11R1.4 BrCCOCCC1CCCC1 34a_100000211926_100000760354 [1,0,0,1,0,0|2,0,0]=4 20107 B11R1.4 C=CCCCCN1CCCC1 2230a_100000188435_100011215482 [1,0,0,1,0,0|1,0,1]=4 20108 B11R1.4 C=CCCCCN1CCCC1 269982a_100000188435_100011215482 [1,0,0,1,0,0|1,0,1]=4 20109 B11R1.4 C=CCCCNC1CCCC1 2230a_100000211070_100011713584 [1,0,0,1,0,0|1,0,1]=4 20110 B11R1.4 C=CCCCNC1CCCC1 2230a_100000700776_100000179811 [1,0,0,1,0,0|1,0,1]=4 20111 B11R1.4 C=CCCCNC1CCCC1 270004a_100000700776_100000210133 [1,0,0,1,0,0|1,0,1]=4 20112 B11R1.4 C=CCCCNC1CCCC1 34a_100000211070_100000757094 [1,0,0,1,0,0|1,0,1]=4 20113 B11R1.4 C=CCCCNC1CCCC1 34a_100000700776_100000179811 [1,0,0,1,0,0|1,0,1]=4 20114 B11R1.4 C=CCCCOC1CCCC1 34a_100000210269_100000757094 [1,0,0,1,0,0|1,0,1]=4 20115 B11R1.4 C=CCCCOC1CCCC1 34a_100000758997_100000179811 [1,0,0,1,0,0|1,0,1]=4 20116 B11R1.4 C=CCCCOC1CCCC1 7a_100000210269_100000757094 [1,0,0,1,0,0|1,0,1]=4 20117 B11R1.4 C=CCCCOC1CCCC1 7a_100000758997_100000179811 [1,0,0,1,0,0|1,0,1]=4 20118 B11R1.4 C=CCCCSC1CCCC1 62a_100011217020_100000757094 [1,0,0,1,0,0|1,0,1]=4 20119 B11R1.4 C=CCCCSC1CCCC1 62a_100011713584_100000179811 [1,0,0,1,0,0|1,0,1]=4 20120 B11R1.4 C=CCCNCC1CCCC1 2230a_100000737975_100000754431 [1,0,0,1,0,0|1,0,1]=4 20121 B11R1.4 C=CCCNCC1CCCC1 2230a_100015191253_100000740388 [1,0,0,1,0,0|1,0,1]=4 20122 B11R1.4 C=CCCNCC1CCCC1 269862a_100015191253_100000746403 [1,0,0,1,0,0|1,0,1]=4 20123 B11R1.4 C=CCCNCC1CCCC1 34a_100000737975_100000754431 [1,0,0,1,0,0|1,0,1]=4 20124 B11R1.4 C=CCCOCC1CCCC1 34a_100000742336_100000754431 [1,0,0,1,0,0|1,0,1]=4 20125 B11R1.4 C=CCCOCC1CCCC1 34a_100011205117_100000740388 [1,0,0,1,0,0|1,0,1]=4 20126 B11R1.4 C=CCCOCC1CCCC1 7a_100000742336_100000754431 [1,0,0,1,0,0|1,0,1]=4 20127 B11R1.4 C=CCCSCC1CCCC1 62a_100000740388_100000754431 [1,0,0,1,0,0|1,0,1]=4 20128 B11R1.4 C=CCCSCC1CCCC1 62a_100000754431_100000740388 [1,0,0,1,0,0|1,0,1]=4 20129 B11R1.4 C=CCNCCC1CCCC1 2230a_100000739158_100000210623 [1,0,0,1,0,0|1,0,1]=4 20130 B11R1.4 C=CCNCCC1CCCC1 2230a_100020586998_100000760354 [1,0,0,1,0,0|1,0,1]=4 20131 B11R1.4 C=CCNCCC1CCCC1 34a_100000739158_100015514636 [1,0,0,1,0,0|1,0,1]=4 20132 B11R1.4 C=CCOCCC1CCCC1 34a_100000749090_100015514636 [1,0,0,1,0,0|1,0,1]=4 20133 B11R1.4 C=CCOCCC1CCCC1 34a_200000210373_100000760354 [1,0,0,1,0,0|1,0,1]=4 20134 B11R1.4 C=CCOCCC1CCCC1 7a_100000749090_100015514636 [1,0,0,1,0,0|1,0,1]=4 20135 B11R1.4 C=CCSCCC1CCCC1 62a_100000210623_100000760354 [1,0,0,1,0,0|1,0,1]=4 20136 B11R1.4 C=CCSCCC1CCCC1 62a_100000760354_100000210623 [1,0,0,1,0,0|1,0,1]=4 20137 B11R1.4 CCCCCCN1CCCC1 2230a_100000188435_100000210314 [1,0,0,1,0,0|1,0,1]=4 20138 B11R1.4 CCCCCCN1CCCC1 269982a_100000188435_100000210757 [1,0,0,1,0,0|1,0,1]=4 20139 B11R1.4 CCCCCNC1CCCC1 2230a_100000209983_100000179811 [1,0,0,1,0,0|1,0,1]=4 20140 B11R1.4 CCCCCNC1CCCC1 2230a_100000211070_100000210326 [1,0,0,1,0,0|1,0,1]=4 20141 B11R1.4 CCCCCNC1CCCC1 270004a_100000209983_100000210133 [1,0,0,1,0,0|1,0,1]=4 20142 B11R1.4 CCCCCNC1CCCC1 34a_100000211070_100000718602 [1,0,0,1,0,0|1,0,1]=4 20143 B11R1.4 CCCCCOC1CCCC1 34a_100000210253_100000179811 [1,0,0,1,0,0|1,0,1]=4 20144 B11R1.4 CCCCCOC1CCCC1 34a_100000210269_100000718602 [1,0,0,1,0,0|1,0,1]=4 20145 B11R1.4 CCCCCOC1CCCC1 7a_100000210253_100000179811 [1,0,0,1,0,0|1,0,1]=4 20146 B11R1.4 CCCCCOC1CCCC1 7a_100000210269_100000210326 [1,0,0,1,0,0|1,0,1]=4 20147 B11R1.4 CCCCCOC1CCCO1 34a_100000085407_100000718602 [1,0,0,1,0,0|1,0,1]=4 20148 B11R1.4 CCCCCSC1CCCC1 62a_100000210326_100000179811 [1,0,0,1,0,0|1,0,1]=4 20149 B11R1.4 CCCCCSC1CCCC1 62a_100011217020_100000210326 [1,0,0,1,0,0|1,0,1]=4 20150 B11R1.4 CCCCNCC1CCCC1 2230a_100000102301_100000740388 [1,0,0,1,0,0|1,0,1]=4 20151 B11R1.4 CCCCNCC1CCCC1 2230a_100000737975_100000210211 [1,0,0,1,0,0|1,0,1]=4 20152 B11R1.4 CCCCNCC1CCCC1 269862a_100000102301_100000746403 [1,0,0,1,0,0|1,0,1]=4 20153 B11R1.4 CCCCNCC1CCCC1 34a_100000737975_100000210210 [1,0,0,1,0,0|1,0,1]=4 20154 B11R1.4 CCCCNCC1CCCC1 7a_106832991798_100000740388 [1,0,0,1,0,0|1,0,1]=4 20155 B11R1.4 CCCCNCC1CCCO1 2230a_100000102301_100000203698 [1,0,0,1,0,0|1,0,1]=4 20156 B11R1.4 CCCCNCC1CCCO1 7a_106832991798_100000203698 [1,0,0,1,0,0|1,0,1]=4 20157 B11R1.4 CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210211 [1,0,0,1,0,0|1,0,1]=4 20158 B11R1.4 CCCCNC[C@@H]1CCCO1 34a_100020590478_100000210210 [1,0,0,1,0,0|1,0,1]=4 20159 B11R1.4 CCCCOCC1CCCC1 34a_100000210227_100000740388 [1,0,0,1,0,0|1,0,1]=4 20160 B11R1.4 CCCCOCC1CCCC1 34a_100000742336_100000210210 [1,0,0,1,0,0|1,0,1]=4 20161 B11R1.4 CCCCOCC1CCCC1 7a_100000210227_100000740388 [1,0,0,1,0,0|1,0,1]=4 20162 B11R1.4 CCCCOCC1CCCC1 7a_100000742336_100000210211 [1,0,0,1,0,0|1,0,1]=4 20163 B11R1.4 CCCCOCC1CCCO1 34a_100000210270_100000210210 [1,0,0,1,0,0|1,0,1]=4 20164 B11R1.4 CCCCOCC1CCCO1 7a_100000210227_100000203698 [1,0,0,1,0,0|1,0,1]=4 20165 B11R1.4 CCCCOCC1CCCO1 7a_100000210270_100000210211 [1,0,0,1,0,0|1,0,1]=4 20166 B11R1.4 CCCCOC[C@H]1CCCN1 34a_100000745186_100000210210 [1,0,0,1,0,0|2,0,0]=4 20167 B11R1.4 CCCCSCC1CCCC1 62a_100000210211_100000740388 [1,0,0,1,0,0|1,0,1]=4 20168 B11R1.4 CCCCSCC1CCCC1 62a_100000740388_100000210210 [1,0,0,1,0,0|1,0,1]=4 20169 B11R1.4 CCCCSCC1CCCO1 62a_100000203698_100000210210 [1,0,0,1,0,0|1,0,1]=4 20170 B11R1.4 CCCCSCC1CCCO1 62a_100000210211_100000203698 [1,0,0,1,0,0|1,0,1]=4 20171 B11R1.4 CCCNCCC1CCCC1 2230a_100000739158_100000210303 [1,0,0,1,0,0|1,0,1]=4 20172 B11R1.4 CCCNCCC1CCCC1 34a_100000739158_100000210303 [1,0,0,1,0,0|1,0,1]=4 20173 B11R1.4 CCCOCCC1CCCC1 34a_100000210258_100000760354 [1,0,0,1,0,0|1,0,1]=4 20174 B11R1.4 CCCOCCC1CCCC1 34a_100000749090_100000210303 [1,0,0,1,0,0|1,0,1]=4 20175 B11R1.4 CCCOCCC1CCCC1 7a_100000749090_100000210303 [1,0,0,1,0,0|1,0,1]=4 20176 B11R1.4 CCCSCCC1CCCC1 62a_100000210303_100000760354 [1,0,0,1,0,0|1,0,1]=4 20177 B11R1.4 CCCSCCC1CCCC1 62a_100000760354_100000210303 [1,0,0,1,0,0|1,0,1]=4 20178 B11R1.4 CCNCCCC1CCCC1 2230a_100000736752_100000210202 [1,0,0,1,0,0|1,0,1]=4 20179 B11R1.4 CCNCCCC1CCCC1 2230a_100015525214_100011713738 [1,0,0,1,0,0|1,0,1]=4 20180 B11R1.4 CCNCCCC1CCCC1 34a_100000736752_100000210202 [1,0,0,1,0,0|1,0,1]=4 20181 B11R1.4 CCOCCCC1CCCC1 34a_100011215328_100000210202 [1,0,0,1,0,0|1,0,1]=4 20182 B11R1.4 CCOCCCC1CCCC1 34a_100121572206_100011713738 [1,0,0,1,0,0|1,0,1]=4 20183 B11R1.4 CCOCCCC1CCCC1 7a_100011215328_100000210202 [1,0,0,1,0,0|1,0,1]=4 20184 B11R1.4 CCSCCCC1CCCC1 62a_100000210202_100011713738 [1,0,0,1,0,0|1,0,1]=4 20185 B11R1.4 CCSCCCC1CCCC1 62a_100011713738_100000210202 [1,0,0,1,0,0|1,0,1]=4 20186 B11R1.4 ClCCCCOC1CCCC1 34a_100000210776_100000179811 [1,0,0,1,0,0|2,0,0]=4 20187 B11R1.4 ClCCCCOC1CCCC1 7a_100000210776_100000179811 [1,0,0,1,0,0|2,0,0]=4 20188 B11R1.4 ClCCCOCC1CCCC1 34a_100000230001_100000740388 [1,0,0,1,0,0|2,0,0]=4 20189 B11R1.4 FCCCCCN1CCCC1 2230a_100000188435_100000729378 [1,0,0,1,0,0|2,0,0]=4 20190 B11R1.4 FCCCCCN1CCCC1 269982a_100000188435_100000729378 [1,0,0,1,0,0|2,0,0]=4 20191 B11R1.4 FCCCCNC1CCCC1 2230a_100000211070_100000729493 [1,0,0,1,0,0|2,0,0]=4 20192 B11R1.4 FCCCCNC1CCCC1 34a_100000211070_100000729493 [1,0,0,1,0,0|2,0,0]=4 20193 B11R1.4 FCCCCOC1CCCC1 34a_100000210269_100000729493 [1,0,0,1,0,0|2,0,0]=4 20194 B11R1.4 FCCCCOC1CCCC1 34a_100011995726_100000179811 [1,0,0,1,0,0|2,0,0]=4 20195 B11R1.4 FCCCCOC1CCCC1 7a_100000210269_100000729493 [1,0,0,1,0,0|2,0,0]=4 20196 B11R1.4 FCCCCOC1CCCC1 7a_100011995726_100000179811 [1,0,0,1,0,0|2,0,0]=4 20197 B11R1.4 FCCCCSC1CCCC1 62a_100000729493_100000179811 [1,0,0,1,0,0|2,0,0]=4 20198 B11R1.4 FCCCCSC1CCCC1 62a_100011217020_100000729493 [1,0,0,1,0,0|2,0,0]=4 20199 B11R1.4 FCCCNCC1CCCC1 2230a_100000737975_100011934791 [1,0,0,1,0,0|2,0,0]=4 20200 B11R1.4 FCCCNCC1CCCC1 2230a_100015189416_100000740388 [1,0,0,1,0,0|2,0,0]=4 20201 B11R1.4 FCCCNCC1CCCC1 269862a_100015189416_100000746403 [1,0,0,1,0,0|2,0,0]=4 20202 B11R1.4 FCCCNCC1CCCC1 34a_100000737975_100011934791 [1,0,0,1,0,0|2,0,0]=4 20203 B11R1.4 FCCCNCC1CCCC1 34a_100015189416_100000740388 [1,0,0,1,0,0|2,0,0]=4 20204 B11R1.4 FCCCOCC1CCCC1 34a_100000742336_100011934791 [1,0,0,1,0,0|2,0,0]=4 20205 B11R1.4 FCCCOCC1CCCC1 34a_100000759539_100000740388 [1,0,0,1,0,0|2,0,0]=4 20206 B11R1.4 FCCCOCC1CCCC1 7a_100000742336_100011934791 [1,0,0,1,0,0|2,0,0]=4 20207 B11R1.4 FCCCSCC1CCCC1 62a_100000740388_100011934791 [1,0,0,1,0,0|2,0,0]=4 20208 B11R1.4 FCCCSCC1CCCC1 62a_100011934791_100000740388 [1,0,0,1,0,0|2,0,0]=4 20209 B11R1.4 FCCNCCC1CCCC1 2230a_100000739158_100011217306 [1,0,0,1,0,0|2,0,0]=4 20210 B11R1.4 FCCNCCC1CCCC1 34a_100000724931_100000760354 [1,0,0,1,0,0|2,0,0]=4 20211 B11R1.4 FCCNCCC1CCCC1 34a_100000739158_100011217306 [1,0,0,1,0,0|2,0,0]=4 20212 B11R1.4 FCCOCCC1CCCC1 34a_100000749090_100011217306 [1,0,0,1,0,0|2,0,0]=4 20213 B11R1.4 FCCOCCC1CCCC1 7a_100000749090_100011217306 [1,0,0,1,0,0|2,0,0]=4 20214 B11R1.4 FCCSCCC1CCCC1 62a_100000760354_100011217306 [1,0,0,1,0,0|2,0,0]=4 20215 B11R1.4 FCCSCCC1CCCC1 62a_100011217306_100000760354 [1,0,0,1,0,0|2,0,0]=4 20216 B11R1.4 FCNCCCC1CCCC1 34a_100000736752_100015361967 [1,0,0,1,0,0|2,0,0]=4 20217 B11R1.4 FCOCCCC1CCCC1 34a_100011215328_100015361967 [1,0,0,1,0,0|2,0,0]=4 20218 B11R1.4 FCOCCCC1CCCC1 7a_100011215328_100015361967 [1,0,0,1,0,0|2,0,0]=4 20219 B11R1.4 FCSCCCC1CCCC1 62a_100011713738_100015361967 [1,0,0,1,0,0|2,0,0]=4 20220 B11R1.4 FCSCCCC1CCCC1 62a_100015361967_100011713738 [1,0,0,1,0,0|2,0,0]=4 20221 B11R1.4 ICCCCOC1CCCC1 34a_200012148704_100000179811 [1,0,0,1,0,0|2,0,0]=4 20222 B11R1.4 NCCCCOC1CCCC1 34a_100000750430_100000179811 [1,0,0,1,0,0|2,0,0]=4 20223 B11R1.4 NCCCOCC1CCCC1 34a_100000182051_100000740388 [1,0,0,1,0,0|2,0,0]=4 20224 B11R1.4 NCCOCCC1CCCC1 34a_100000210304_100000760354 [1,0,0,1,0,0|2,0,0]=4 20225 B11R1.4 O=CCCCCN1CCCC1 2230a_100000188435_100000139335 [1,0,0,1,0,0|1,0,0]=3 20226 B11R1.4 O=CCCCCN1CCCC1 269982a_100000188435_100000139335 [1,0,0,1,0,0|1,0,0]=3 20227 B11R1.4 O=CCCCCN1CCSC1 2230a_100011215254_100000139335 [1,0,0,1,0,0|2,0,0]=4 20228 B11R1.4 O=CCCCCN1CCSC1 269982a_100011215254_100000139335 [1,0,0,1,0,0|2,0,0]=4 20229 B11R1.4 O=CCCCNC1CCCC1 2230a_100000211070_200011292268 [1,0,0,1,0,0|1,0,0]=3 20230 B11R1.4 O=CCCCN[C@@H]1CCOC1 2230a_200015188469_200011292268 [1,0,0,1,0,0|2,0,0]=4 20231 B11R1.4 O=CCCCN[C@H]1CCOC1 2230a_100015188467_200011292268 [1,0,0,1,0,0|2,0,0]=4 20232 B11R1.4 O=CCCCOC1CCCC1 7a_100000210269_200011292268 [1,0,0,1,0,0|1,0,0]=3 20233 B11R1.4 O=CCCCOC1CCSC1 7a_100011232664_200011292268 [1,0,0,1,0,0|2,0,0]=4 20234 B11R1.4 O=CCCCSC1CCCC1 62a_100011217020_200011292268 [1,0,0,1,0,0|1,0,0]=3 20235 B11R1.4 O=CCCCSC1CCCC1 62a_200011292268_100000179811 [1,0,0,1,0,0|1,0,0]=3 20236 B11R1.4 O=CCCCSC1CCOC1 62a_200011292268_100000690089 [1,0,0,1,0,0|2,0,0]=4 20237 B11R1.4 O=CCNCCC1CCCC1 2230a_100000739158_200015260668 [1,0,0,1,0,0|1,0,0]=3 20238 B11R1.4 O=CCNCCC1CCCC1 34a_100000739158_200009817547 [1,0,0,1,0,0|1,0,0]=3 20239 B11R1.4 O=CCOCCC1CCCC1 34a_100000749090_200009817547 [1,0,0,1,0,0|1,0,0]=3 20240 B11R1.4 O=CCOCCC1CCCC1 7a_100000749090_200015260668 [1,0,0,1,0,0|1,0,0]=3 20241 B11R1.4 O=CCOCCC1CCNC1 34a_100016987287_200009817547 [1,0,0,1,0,0|2,0,0]=4 20242 B11R1.4 O=CCOCCC1CCOC1 34a_100011879284_200009817547 [1,0,0,1,0,0|2,0,0]=4 20243 B11R1.4 O=CCSCCC1CCCC1 62a_100000760354_200015260668 [1,0,0,1,0,0|1,0,0]=3 20244 B11R1.4 O=CCSCCC1CCCC1 62a_200015260668_100000760354 [1,0,0,1,0,0|1,0,0]=3 20245 B11R1.4 O=CCSCCN1CCCC1 62a_100000700749_200015260668 [1,0,0,1,0,0|2,0,0]=4 20246 B11R1.4 O=CCSCCN1CCCC1 62a_200015260668_100000004467 [1,0,0,1,0,0|2,0,0]=4 20247 B11R1.4 OCCCCCN1CCCC1 2230a_100000188435_100000746330 [1,0,0,1,0,0|1,0,1]=4 20248 B11R1.4 OCCCCCN1CCCC1 269982a_100000188435_100000746330 [1,0,0,1,0,0|1,0,1]=4 20249 B11R1.4 OCCCCNC1CCCC1 2230a_100000211070_100000210776 [1,0,0,1,0,0|1,0,1]=4 20250 B11R1.4 OCCCCNC1CCCC1 2230a_100000750430_100000179811 [1,0,0,1,0,0|1,0,1]=4 20251 B11R1.4 OCCCCNC1CCCC1 270004a_100000750430_100000210133 [1,0,0,1,0,0|1,0,1]=4 20252 B11R1.4 OCCCCNC1CCCC1 34a_100000211070_100011216708 [1,0,0,1,0,0|1,0,1]=4 20253 B11R1.4 OCCCCNC1CCCC1 34a_100000750430_100000179811 [1,0,0,1,0,0|1,0,1]=4 20254 B11R1.4 OCCCCOC1CCCC1 34a_100000210269_100011216708 [1,0,0,1,0,0|1,0,1]=4 20255 B11R1.4 OCCCCOC1CCCC1 7a_100000210269_100000210776 [1,0,0,1,0,0|1,0,1]=4 20256 B11R1.4 OCCCCSC1CCCC1 62a_100000210776_100000179811 [1,0,0,1,0,0|1,0,1]=4 20257 B11R1.4 OCCCCSC1CCCC1 62a_100011217020_100000210776 [1,0,0,1,0,0|1,0,1]=4 20258 B11R1.4 OCCCNCC1CCCC1 2230a_100000737975_100000230001 [1,0,0,1,0,0|1,0,1]=4 20259 B11R1.4 OCCCNCC1CCCC1 269862a_100000182051_100000746403 [1,0,0,1,0,0|1,0,1]=4 20260 B11R1.4 OCCCNCC1CCCC1 34a_100000737975_100000230001 [1,0,0,1,0,0|1,0,1]=4 20261 B11R1.4 OCCCOCC1CCCC1 34a_100000742336_100000230001 [1,0,0,1,0,0|1,0,1]=4 20262 B11R1.4 OCCCOCC1CCCC1 7a_100000742336_100011215043 [1,0,0,1,0,0|1,0,1]=4 20263 B11R1.4 OCCCSCC1CCCC1 62a_100000740388_100011215043 [1,0,0,1,0,0|1,0,1]=4 20264 B11R1.4 OCCCSCC1CCCC1 62a_100011215043_100000740388 [1,0,0,1,0,0|1,0,1]=4 20265 B11R1.4 OCCNCCC1CCCC1 2230a_100000739158_100000211926 [1,0,0,1,0,0|1,0,1]=4 20266 B11R1.4 OCCNCCC1CCCC1 2230a_100016997473_100000760354 [1,0,0,1,0,0|1,0,1]=4 20267 B11R1.4 OCCNCCC1CCCC1 34a_100000739158_100000211926 [1,0,0,1,0,0|1,0,1]=4 20268 B11R1.4 OCCNCCC1CCCC1 34a_100016990907_100000760354 [1,0,0,1,0,0|1,0,1]=4 20269 B11R1.4 OCCOCCC1CCCC1 34a_100000749090_100000211926 [1,0,0,1,0,0|1,0,1]=4 20270 B11R1.4 OCCOCCC1CCCC1 7a_100000749090_100000211926 [1,0,0,1,0,0|1,0,1]=4 20271 B11R1.4 OCCSCCC1CCCC1 62a_100000211926_100000760354 [1,0,0,1,0,0|1,0,1]=4 20272 B11R1.4 OCCSCCC1CCCC1 62a_100000760354_100000211926 [1,0,0,1,0,0|1,0,1]=4 20273 B11R1.5 CCNC1CCCCNC1=O 2230a_100000698827_100000210202 [1,0,0,1,0,0|2,0,0]=4 20274 B11R1.5 CCNC1CCCCNC1=O 2230a_100015525214_100000735217 [1,0,0,1,0,0|2,0,0]=4 20275 B11R1.5 CCNC1CCCCNC1=O 34a_100000698827_100000210202 [1,0,0,1,0,0|2,0,0]=4 20276 B11R1.5 CCSC1CCCCCC1=O 62a_100000210202_100000243696 [1,0,0,1,0,0|1,0,0]=3 20277 B11R1.5 CCSC1CCCCCC1=O 62a_100000243696_100000210202 [1,0,0,1,0,0|1,0,0]=3 20278 B11R1.5 CCSC1CCCCNC1=O 62a_100000210202_100000735217 [1,0,0,1,0,0|2,0,0]=4 20279 B11R1.5 CCSC1CCCCNC1=O 62a_100000735217_100000210202 [1,0,0,1,0,0|2,0,0]=4 20280 B11R1.5 O=C1CCCCCC1SCF 62a_100000243696_100015361967 [1,0,0,1,0,0|2,0,0]=4 20281 B11R1.5 O=C1CCCCCC1SCF 62a_100015361967_100000243696 [1,0,0,1,0,0|2,0,0]=4 20282 B11R1.17 C=CCCN1CCCCC1C 2230a_100000211376_100000754431 [1,0,0,1,0,0|1,0,1]=4 20283 B11R1.17 C=CCCN1CCCCC1C 269982a_100000211376_100000754431 [1,0,0,1,0,0|1,0,1]=4 20284 B11R1.17 C=CCCN1CCCCC1C 34a_100000211376_100000754431 [1,0,0,1,0,0|1,0,1]=4 20285 B11R1.17 C=CCNC1CCCCC1C 2230a_100000211402_100000210623 [1,0,0,1,0,0|1,0,1]=4 20286 B11R1.17 C=CCNC1CCCCC1C 270004a_100020586998_100000210921 [1,0,0,1,0,0|1,0,1]=4 20287 B11R1.17 C=CCNC1CCCCC1C 34a_100000211402_100015514636 [1,0,0,1,0,0|1,0,1]=4 20288 B11R1.17 C=CCOC1CCCCC1C 34a_100000211207_100015514636 [1,0,0,1,0,0|1,0,1]=4 20289 B11R1.17 C=CCOC1CCCCC1C 7a_100000211207_100015514636 [1,0,0,1,0,0|1,0,1]=4 20290 B11R1.17 CC1CCCCC1NCC=O 2230a_100000211402_200015260668 [1,0,0,1,0,0|1,0,0]=3 20291 B11R1.17 CC1CCCCC1NCC=O 34a_100000211402_200009817547 [1,0,0,1,0,0|1,0,0]=3 20292 B11R1.17 CC1CCCCC1NCCF 2230a_100000211402_100011217306 [1,0,0,1,0,0|2,0,0]=4 20293 B11R1.17 CC1CCCCC1NCCF 269862a_100000724931_100000210921 [1,0,0,1,0,0|2,0,0]=4 20294 B11R1.17 CC1CCCCC1NCCF 34a_100000211402_100011217306 [1,0,0,1,0,0|2,0,0]=4 20295 B11R1.17 CC1CCCCC1NCCO 2230a_100000211402_100000211926 [1,0,0,1,0,0|1,0,1]=4 20296 B11R1.17 CC1CCCCC1NCCO 269862a_100000210304_100000210921 [1,0,0,1,0,0|1,0,1]=4 20297 B11R1.17 CC1CCCCC1NCCO 270004a_100000210304_100000210921 [1,0,0,1,0,0|1,0,1]=4 20298 B11R1.17 CC1CCCCC1NCCO 34a_100000211402_100000211926 [1,0,0,1,0,0|1,0,1]=4 20299 B11R1.17 CC1CCCCC1OCC=O 34a_100000211207_200009817547 [1,0,0,1,0,0|1,0,0]=3 20300 B11R1.17 CC1CCCCC1OCC=O 7a_100000211207_200015260668 [1,0,0,1,0,0|1,0,0]=3 20301 B11R1.17 CC1CCCCC1OCCF 34a_100000211207_100011217306 [1,0,0,1,0,0|2,0,0]=4 20302 B11R1.17 CC1CCCCC1OCCF 7a_100000211207_100011217306 [1,0,0,1,0,0|2,0,0]=4 20303 B11R1.17 CC1CCCCC1OCCO 34a_100000211207_100000211926 [1,0,0,1,0,0|1,0,1]=4 20304 B11R1.17 CC1CCCCC1OCCO 7a_100000211207_100000211926 [1,0,0,1,0,0|1,0,1]=4 20305 B11R1.17 CC1CCCCN1CCCF 2230a_100000211376_100011934791 [1,0,0,1,0,0|2,0,0]=4 20306 B11R1.17 CC1CCCCN1CCCF 269982a_100000211376_100011934791 [1,0,0,1,0,0|2,0,0]=4 20307 B11R1.17 CC1CCCCN1CCCF 34a_100000211376_100011934791 [1,0,0,1,0,0|2,0,0]=4 20308 B11R1.17 CC1CCCCN1CCCO 2230a_100000211376_100000230001 [1,0,0,1,0,0|1,0,1]=4 20309 B11R1.17 CC1CCCCN1CCCO 269982a_100000211376_100011215043 [1,0,0,1,0,0|1,0,1]=4 20310 B11R1.17 CC1CCCCN1CCCO 34a_100000211376_100000230001 [1,0,0,1,0,0|1,0,1]=4 20311 B11R1.17 CC1CCNCC1OCC=O 34a_100000696640_200009817547 [1,0,0,1,0,0|2,0,0]=4 20312 B11R1.17 CC1CNCCC1OCC=O 34a_100011998114_200009817547 [1,0,0,1,0,0|2,0,0]=4 20313 B11R1.17 CCCCN1CCCCC1C 2230a_100000211376_100000210211 [1,0,0,1,0,0|1,0,1]=4 20314 B11R1.17 CCCCN1CCCCC1C 269982a_100000211376_100000210211 [1,0,0,1,0,0|1,0,1]=4 20315 B11R1.17 CCCCN1CCCCC1C 34a_100000211376_100000210210 [1,0,0,1,0,0|1,0,1]=4 20316 B11R1.17 CCCNC1CCCCC1C 2230a_100000211402_100000210303 [1,0,0,1,0,0|1,0,1]=4 20317 B11R1.17 CCCNC1CCCCC1C 269862a_100020643023_100000210921 [1,0,0,1,0,0|1,0,1]=4 20318 B11R1.17 CCCNC1CCCCC1C 270004a_100020643023_100000210921 [1,0,0,1,0,0|1,0,1]=4 20319 B11R1.17 CCCNC1CCCCC1C 34a_100000211402_100000210303 [1,0,0,1,0,0|1,0,1]=4 20320 B11R1.17 CCCNC1CCCNC1=O 2230a_100000747585_100000210303 [1,0,0,1,0,0|2,0,0]=4 20321 B11R1.17 CCCNC1CCCNC1=O 34a_100000747585_100000210303 [1,0,0,1,0,0|2,0,0]=4 20322 B11R1.17 CCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210303 [1,0,0,1,0,0|2,0,0]=4 20323 B11R1.17 CCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210303 [1,0,0,1,0,0|2,0,0]=4 20324 B11R1.17 CCCOC1CCCCC1=O 34a_100000210258_100000754470 [1,0,0,1,0,0|1,0,0]=3 20325 B11R1.17 CCCOC1CCCCC1=O 34a_100011214950_100000210303 [1,0,0,1,0,0|1,0,0]=3 20326 B11R1.17 CCCOC1CCCCC1C 34a_100000211207_100000210303 [1,0,0,1,0,0|1,0,1]=4 20327 B11R1.17 CCCOC1CCCCC1C 7a_100000211207_100000210303 [1,0,0,1,0,0|1,0,1]=4 20328 B11R1.17 CCCOC1CCCCC1Cl 34a_100000038908_100000210303 [1,0,0,1,0,0|2,0,0]=4 20329 B11R1.17 CCCOC1CCCCC1Cl 7a_100000038908_100000210303 [1,0,0,1,0,0|2,0,0]=4 20330 B11R1.17 CCCOC1CCCCC1F 34a_100000210258_100015423560 [1,0,0,1,0,0|2,0,0]=4 20331 B11R1.17 CCCOC1CCCCC1O 34a_100000210258_100000038908 [1,0,0,1,0,0|1,0,1]=4 20332 B11R1.17 CCCOC1CCCNC1=O 34a_100000073722_100000210303 [1,0,0,1,0,0|2,0,0]=4 20333 B11R1.17 CCCOC1CCCNC1=O 34a_100000210258_100000687798 [1,0,0,1,0,0|2,0,0]=4 20334 B11R1.17 CCCOC1COCCC1=O 34a_100000210258_100012180262 [1,0,0,1,0,0|2,0,0]=4 20335 B11R1.17 CCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210303 [1,0,0,1,0,0|2,0,0]=4 20336 B11R1.17 CCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210303 [1,0,0,1,0,0|2,0,0]=4 20337 B11R1.17 CCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210303 [1,0,0,1,0,0|2,0,0]=4 20338 B11R1.17 CCCSC1CCCCC1=O 62a_100000204591_100000210303 [1,0,0,1,0,0|1,0,0]=3 20339 B11R1.17 CCCSC1CCCCC1=O 62a_100000210303_100000204591 [1,0,0,1,0,0|1,0,0]=3 20340 B11R1.17 CCCSC1CCCCC1F 62a_100000210303_100015423560 [1,0,0,1,0,0|2,0,0]=4 20341 B11R1.17 CCCSC1CCCCC1F 62a_100015423560_100000210303 [1,0,0,1,0,0|2,0,0]=4 20342 B11R1.17 CCCSC1CCCCC1O 62a_100000038908_100000210303 [1,0,0,1,0,0|1,0,1]=4 20343 B11R1.17 CCCSC1CCCCC1O 62a_100000210303_100000038908 [1,0,0,1,0,0|1,0,1]=4 20344 B11R1.17 CCCSC1CCCNC1=O 62a_100000210303_100000687798 [1,0,0,1,0,0|2,0,0]=4 20345 B11R1.17 CCCSC1CCCNC1=O 62a_100000687798_100000210303 [1,0,0,1,0,0|2,0,0]=4 20346 B11R1.17 CCCSC1COCCC1=O 62a_100000210303_100012180262 [1,0,0,1,0,0|2,0,0]=4 20347 B11R1.17 CCCSC1COCCC1=O 62a_100012180262_100000210303 [1,0,0,1,0,0|2,0,0]=4 20348 B11R1.17 CCNCC1CCCCC1O 34a_100011216029_100000210202 [1,0,0,1,0,0|1,0,1]=4 20349 B11R1.17 CCOCC1CCCCC1=O 34a_100009861125_100000210202 [1,0,0,1,0,0|1,0,0]=3 20350 B11R1.17 CCOCC1CCCCC1=O 7a_100009861125_100000210202 [1,0,0,1,0,0|1,0,0]=3 20351 B11R1.17 CN1CCCCC1CCCO 2230a_100011934581_200000210301 [1,0,0,1,0,0|1,0,1]=4 20352 B11R1.17 CN1CCCCC1CCCO 269982a_100011934581_200000210301 [1,0,0,1,0,0|1,0,1]=4 20353 B11R1.17 CN1CCCCC1CCCO 34a_100011934581_200000210301 [1,0,0,1,0,0|1,0,1]=4 20354 B11R1.17 CNCCN1CCCCC1=O 2230a_100160573077_200000210301 [1,0,0,1,0,0|2,0,0]=4 20355 B11R1.17 CNCCN1CCCCC1=O 34a_100160573077_200000210301 [1,0,0,1,0,0|2,0,0]=4 20356 B11R1.17 COCSC1CCCCC1=O 62a_100000204591_100000766300 [1,0,0,1,0,0|2,0,0]=4 20357 B11R1.17 COCSC1CCCCC1=O 62a_100000766300_100000204591 [1,0,0,1,0,0|2,0,0]=4 20358 B11R1.17 CSCOC1CCCCC1=O 34a_100011214950_100011218213 [1,0,0,1,0,0|2,0,0]=4 20359 B11R1.17 CSCSC1CCCCC1=O 62a_100000204591_100011218213 [1,0,0,1,0,0|2,0,0]=4 20360 B11R1.17 CSCSC1CCCCC1=O 62a_100011218213_100000204591 [1,0,0,1,0,0|2,0,0]=4 20361 B11R1.17 NCCOC1CCCCC1=O 34a_100000210304_100000754470 [1,0,0,1,0,0|2,0,0]=4 20362 B11R1.17 N[C@@H]1CCCC[C@@H]1OCC=O 34a_100015191688_200009817547 [1,0,0,1,0,0|2,0,0]=4 20363 B11R1.17 O=C1CCCCC1COCF 34a_100009861125_100015361967 [1,0,0,1,0,0|2,0,0]=4 20364 B11R1.17 O=C1CCCCC1COCF 7a_100009861125_100015361967 [1,0,0,1,0,0|2,0,0]=4 20365 B11R1.17 O=C1CCCCC1NCCF 34a_100000724931_100000754470 [1,0,0,1,0,0|2,0,0]=4 20366 B11R1.17 O=C1CCCCC1NCCO 34a_100016990907_100000754470 [1,0,0,1,0,0|2,0,0]=4 20367 B11R1.17 O=C1CCCCC1OCCBr 34a_100000211926_100000754470 [1,0,0,1,0,0|2,0,0]=4 20368 B11R1.17 O=C1CCCCC1OCCF 34a_100011214950_100011217306 [1,0,0,1,0,0|2,0,0]=4 20369 B11R1.17 O=C1CCCCC1OCCO 34a_100011214950_100000211926 [1,0,0,1,0,0|2,0,0]=4 20370 B11R1.17 O=C1CCCCC1SCCF 62a_100000204591_100011217306 [1,0,0,1,0,0|2,0,0]=4 20371 B11R1.17 O=C1CCCCC1SCCF 62a_100011217306_100000204591 [1,0,0,1,0,0|2,0,0]=4 20372 B11R1.17 O=C1CCCCC1SCCO 62a_100000204591_100000211926 [1,0,0,1,0,0|2,0,0]=4 20373 B11R1.17 O=C1CCCCC1SCCO 62a_100000211926_100000204591 [1,0,0,1,0,0|2,0,0]=4 20374 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200015260668 [1,0,0,1,0,0|2,0,0]=4 20375 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_200009817547 [1,0,0,1,0,0|2,0,0]=4 20376 B11R1.17 O=CCOC1CCCCC1Cl 34a_100000038908_200009817547 [1,0,0,1,0,0|2,0,0]=4 20377 B11R1.17 O=CCOC1CCCCC1Cl 7a_100000038908_200015260668 [1,0,0,1,0,0|2,0,0]=4 20378 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_200009817547 [1,0,0,1,0,0|2,0,0]=4 20379 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200015260668 [1,0,0,1,0,0|2,0,0]=4 20380 B11R1.17 O=CCSC1CCCCC1F 62a_100015423560_200015260668 [1,0,0,1,0,0|2,0,0]=4 20381 B11R1.17 O=CCSC1CCCCC1F 62a_200015260668_100015423560 [1,0,0,1,0,0|2,0,0]=4 20382 B11R1.17 O=CCSC1CCCCC1O 62a_100000038908_200015260668 [1,0,0,1,0,0|2,0,0]=4 20383 B11R1.17 O=CCSC1CCCCC1O 62a_200015260668_100000038908 [1,0,0,1,0,0|2,0,0]=4 20384 B11R1.17 [13CH3]N1CCCCC1CCCO 2230a_100011934581_200025704644 [1,0,0,1,0,0|1,0,1]=4 20385 B11R1.17 [13CH3]N1CCCCC1CCCO 269982a_100011934581_200025704644 [1,0,0,1,0,0|1,0,1]=4 20386 B11R1.17 [13CH3]N1CCCCC1CCCO 34a_100011934581_200025704644 [1,0,0,1,0,0|1,0,1]=4 20387 B11R1.17 [13CH3]NCCN1CCCCC1=O 2230a_100160573077_200025704644 [1,0,0,1,0,0|2,0,0]=4 20388 B11R1.17 [13CH3]NCCN1CCCCC1=O 34a_100160573077_200025704644 [1,0,0,1,0,0|2,0,0]=4 20389 B11R1.18 C=CCCN1CCCC1CC 2230a_100000754278_100000754431 [1,0,0,1,0,0|1,0,1]=4 20390 B11R1.18 C=CCCN1CCCC1CC 269982a_100000754278_100000754431 [1,0,0,1,0,0|1,0,1]=4 20391 B11R1.18 C=CCCN1CCCC1CC 34a_100000754278_100000754431 [1,0,0,1,0,0|1,0,1]=4 20392 B11R1.18 C=CCNC1CCCC1CC 270004a_100020586998_100000749056 [1,0,0,1,0,0|1,0,1]=4 20393 B11R1.18 CCC1CCCC1NCCF 269862a_100000724931_100000749056 [1,0,0,1,0,0|2,0,0]=4 20394 B11R1.18 CCC1CCCC1NCCO 269862a_100000210304_100000749056 [1,0,0,1,0,0|1,0,1]=4 20395 B11R1.18 CCC1CCCC1NCCO 270004a_100000210304_100000749056 [1,0,0,1,0,0|1,0,1]=4 20396 B11R1.18 CCC1CCCN1CCCF 2230a_100000754278_100011934791 [1,0,0,1,0,0|2,0,0]=4 20397 B11R1.18 CCC1CCCN1CCCF 269982a_100000754278_100011934791 [1,0,0,1,0,0|2,0,0]=4 20398 B11R1.18 CCC1CCCN1CCCF 34a_100000754278_100011934791 [1,0,0,1,0,0|2,0,0]=4 20399 B11R1.18 CCC1CCCN1CCCO 2230a_100000754278_100000230001 [1,0,0,1,0,0|1,0,1]=4 20400 B11R1.18 CCC1CCCN1CCCO 269982a_100000754278_100011215043 [1,0,0,1,0,0|1,0,1]=4 20401 B11R1.18 CCC1CCCN1CCCO 34a_100000754278_100000230001 [1,0,0,1,0,0|1,0,1]=4 20402 B11R1.18 CCCCC1CCCC1NC 269862a_106832991636_100000750825 [1,0,0,1,0,0|1,0,1]=4 20403 B11R1.18 CCCCC1CCCC1NC 270004a_106832991635_100000750825 [1,0,0,1,0,0|1,0,1]=4 20404 B11R1.18 CCCCN1CCCC1CC 2230a_100000754278_100000210211 [1,0,0,1,0,0|1,0,1]=4 20405 B11R1.18 CCCCN1CCCC1CC 269982a_100000754278_100000210211 [1,0,0,1,0,0|1,0,1]=4 20406 B11R1.18 CCCCN1CCCC1CC 34a_100000754278_100000210210 [1,0,0,1,0,0|1,0,1]=4 20407 B11R1.18 CCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210211 [1,0,0,1,0,0|1,0,1]=4 20408 B11R1.18 CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210211 [1,0,0,1,0,0|1,0,1]=4 20409 B11R1.18 CCCCN1CCC[C@@H]1CO 34a_100000745186_100000210210 [1,0,0,1,0,0|1,0,1]=4 20410 B11R1.18 CCCNC1CCCC1CC 269862a_100020643023_100000749056 [1,0,0,1,0,0|1,0,1]=4 20411 B11R1.18 CCCNC1CCCC1CC 270004a_100020643023_100000749056 [1,0,0,1,0,0|1,0,1]=4 20412 B11R1.28 BrCCCOC1CCCCC1 34a_100011217188_100000210327 [1,0,0,1,0,0|2,0,0]=4 20413 B11R1.28 BrCCOCC1CCCCC1 34a_100000211926_100000211423 [1,0,0,1,0,0|2,0,0]=4 20414 B11R1.28 C=CCCNC1CCCCC1 2230a_100000182618_100000754431 [1,0,0,1,0,0|1,0,1]=4 20415 B11R1.28 C=CCCNC1CCCCC1 270004a_100015191253_100000210434 [1,0,0,1,0,0|1,0,1]=4 20416 B11R1.28 C=CCCNC1CCCCC1 34a_100000182618_100000754431 [1,0,0,1,0,0|1,0,1]=4 20417 B11R1.28 C=CCCOC1CCCCC1 34a_100000210231_100000754431 [1,0,0,1,0,0|1,0,1]=4 20418 B11R1.28 C=CCCOC1CCCCC1 34a_100011205117_100000210327 [1,0,0,1,0,0|1,0,1]=4 20419 B11R1.28 C=CCCOC1CCCCC1 7a_100000210231_100000754431 [1,0,0,1,0,0|1,0,1]=4 20420 B11R1.28 C=CCCSC1CCCCC1 62a_100000210327_100000754431 [1,0,0,1,0,0|1,0,1]=4 20421 B11R1.28 C=CCCSC1CCCCC1 62a_100000754431_100000210327 [1,0,0,1,0,0|1,0,1]=4 20422 B11R1.28 C=CCNCC1CCCCC1 2230a_100000210473_100000210623 [1,0,0,1,0,0|1,0,1]=4 20423 B11R1.28 C=CCNCC1CCCCC1 2230a_100020586998_100000211423 [1,0,0,1,0,0|1,0,1]=4 20424 B11R1.28 C=CCNCC1CCCCC1 34a_100000210473_100015514636 [1,0,0,1,0,0|1,0,1]=4 20425 B11R1.28 C=CCOCC1CCCCC1 34a_100000212181_100015514636 [1,0,0,1,0,0|1,0,1]=4 20426 B11R1.28 C=CCOCC1CCCCC1 34a_200000210373_100000211423 [1,0,0,1,0,0|1,0,1]=4 20427 B11R1.28 C=CCOCC1CCCCC1 7a_100000212181_100015514636 [1,0,0,1,0,0|1,0,1]=4 20428 B11R1.28 C=CCSCC1CCCCC1 62a_100000210623_100000211423 [1,0,0,1,0,0|1,0,1]=4 20429 B11R1.28 C=CCSCC1CCCCC1 62a_100000211423_100000210623 [1,0,0,1,0,0|1,0,1]=4 20430 B11R1.28 CCCCNC1C=CCCC1 2230a_100000102301_100000751183 [1,0,0,1,0,0|1,0,1]=4 20431 B11R1.28 CCCCNC1C=CCCC1 7a_106832991798_100000751183 [1,0,0,1,0,0|1,0,1]=4 20432 B11R1.28 CCCCNC1CCCCC1 2230a_100000182618_100000210211 [1,0,0,1,0,0|1,0,1]=4 20433 B11R1.28 CCCCNC1CCCCC1 270004a_100000102301_100000210434 [1,0,0,1,0,0|1,0,1]=4 20434 B11R1.28 CCCCNC1CCCCC1 34a_100000182618_100000210210 [1,0,0,1,0,0|1,0,1]=4 20435 B11R1.28 CCCCNC1CCCCC1 7a_106832991798_100000210327 [1,0,0,1,0,0|1,0,1]=4 20436 B11R1.28 CCCCOC1C=CCCC1 34a_100011215024_100000210210 [1,0,0,1,0,0|1,0,1]=4 20437 B11R1.28 CCCCOC1C=CCCC1 7a_100000210227_100000751183 [1,0,0,1,0,0|1,0,1]=4 20438 B11R1.28 CCCCOC1CCCCC1 34a_100000210227_100000210327 [1,0,0,1,0,0|1,0,1]=4 20439 B11R1.28 CCCCOC1CCCCC1 34a_100000210231_100000210210 [1,0,0,1,0,0|1,0,1]=4 20440 B11R1.28 CCCCOC1CCCCC1 7a_100000210227_100000210327 [1,0,0,1,0,0|1,0,1]=4 20441 B11R1.28 CCCCOC1CCCCC1 7a_100000210231_100000210211 [1,0,0,1,0,0|1,0,1]=4 20442 B11R1.28 CCCCOC1CCCCO1 34a_100000033831_100000210210 [1,0,0,1,0,0|1,0,1]=4 20443 B11R1.28 CCCCSC1C=CCCC1 62a_100000210211_100000751183 [1,0,0,1,0,0|1,0,1]=4 20444 B11R1.28 CCCCSC1C=CCCC1 62a_100000751183_100000210210 [1,0,0,1,0,0|1,0,1]=4 20445 B11R1.28 CCCCSC1CCCCC1 62a_100000210211_100000210327 [1,0,0,1,0,0|1,0,1]=4 20446 B11R1.28 CCCCSC1CCCCC1 62a_100000210327_100000210210 [1,0,0,1,0,0|1,0,1]=4 20447 B11R1.28 CCCNCC1CCCCC1 2230a_100000210473_100000210303 [1,0,0,1,0,0|1,0,1]=4 20448 B11R1.28 CCCNCC1CCCCC1 269862a_100020643023_100000211278 [1,0,0,1,0,0|1,0,1]=4 20449 B11R1.28 CCCNCC1CCCCC1 34a_100000210473_100000210303 [1,0,0,1,0,0|1,0,1]=4 20450 B11R1.28 CCCNCC1CCCCO1 2230a_100000174945_100000210303 [1,0,0,1,0,0|1,0,1]=4 20451 B11R1.28 CCCNCC1CCCCO1 34a_100000174945_100000210303 [1,0,0,1,0,0|1,0,1]=4 20452 B11R1.28 CCCOCC1CCCCC1 34a_100000210258_100000211423 [1,0,0,1,0,0|1,0,1]=4 20453 B11R1.28 CCCOCC1CCCCC1 34a_100000212181_100000210303 [1,0,0,1,0,0|1,0,1]=4 20454 B11R1.28 CCCOCC1CCCCC1 7a_100000212181_100000210303 [1,0,0,1,0,0|1,0,1]=4 20455 B11R1.28 CCCOCC1CCCCN1 34a_100000210821_100000210303 [1,0,0,1,0,0|2,0,0]=4 20456 B11R1.28 CCCOCC1CCCCO1 34a_100000210258_100000211543 [1,0,0,1,0,0|1,0,1]=4 20457 B11R1.28 CCCOCC1CCCCO1 34a_100000211370_100000210303 [1,0,0,1,0,0|1,0,1]=4 20458 B11R1.28 CCCOCC1CCCCO1 7a_100000211370_100000210303 [1,0,0,1,0,0|1,0,1]=4 20459 B11R1.28 CCCSCC1CCCCC1 62a_100000210303_100000211423 [1,0,0,1,0,0|1,0,1]=4 20460 B11R1.28 CCCSCC1CCCCC1 62a_100000211423_100000210303 [1,0,0,1,0,0|1,0,1]=4 20461 B11R1.28 CCCSCC1CCCCO1 62a_100000210303_100000211543 [1,0,0,1,0,0|1,0,1]=4 20462 B11R1.28 CCCSCC1CCCCO1 62a_100000211543_100000210303 [1,0,0,1,0,0|1,0,1]=4 20463 B11R1.28 CCNCCC1=CCCCC1 2230a_100000212019_100000210202 [1,0,0,1,0,0|1,0,1]=4 20464 B11R1.28 CCNCCC1=CCCCC1 34a_100000212019_100000210202 [1,0,0,1,0,0|1,0,1]=4 20465 B11R1.28 CCNCCC1CCCCC1 2230a_100000738074_100000210202 [1,0,0,1,0,0|1,0,1]=4 20466 B11R1.28 CCNCCC1CCCCC1 2230a_100015525214_100012355289 [1,0,0,1,0,0|1,0,1]=4 20467 B11R1.28 CCNCCC1CCCCC1 270004a_100015525214_100011713444 [1,0,0,1,0,0|1,0,1]=4 20468 B11R1.28 CCNCCC1CCCCC1 34a_100000738074_100000210202 [1,0,0,1,0,0|1,0,1]=4 20469 B11R1.28 CCNCCC1CCCCO1 2230a_100015183643_100000210202 [1,0,0,1,0,0|1,0,1]=4 20470 B11R1.28 CCNCCC1CCCCO1 34a_100015183643_100000210202 [1,0,0,1,0,0|1,0,1]=4 20471 B11R1.28 CCOCCC1CCCCC1 34a_100011217863_100000210202 [1,0,0,1,0,0|1,0,1]=4 20472 B11R1.28 CCOCCC1CCCCC1 34a_100121572206_100011209188 [1,0,0,1,0,0|1,0,1]=4 20473 B11R1.28 CCOCCC1CCCCC1 7a_100011217863_100000210202 [1,0,0,1,0,0|1,0,1]=4 20474 B11R1.28 CCOCCC1CCCCN1 34a_100000211664_100000210202 [1,0,0,1,0,0|2,0,0]=4 20475 B11R1.28 CCSCCC1CCCCC1 62a_100000210202_100012355289 [1,0,0,1,0,0|1,0,1]=4 20476 B11R1.28 CCSCCC1CCCCC1 62a_100012355289_100000210202 [1,0,0,1,0,0|1,0,1]=4 20477 B11R1.28 CNCCCC1CCCCC1 2230a_100011211642_200000210301 [1,0,0,1,0,0|1,0,1]=4 20478 B11R1.28 CNCCCC1CCCCC1 2230a_106832991635_100011713725 [1,0,0,1,0,0|1,0,1]=4 20479 B11R1.28 CNCCCC1CCCCC1 34a_100011211642_200000210301 [1,0,0,1,0,0|1,0,1]=4 20480 B11R1.28 CNCCCC1CCCCC1 34a_100102657272_100011713725 [1,0,0,1,0,0|1,0,1]=4 20481 B11R1.28 CNCCCC1CCCCC1 7a_106832991635_100011713725 [1,0,0,1,0,0|1,0,1]=4 20482 B11R1.28 COCCCC1CCCCC1 34a_100000198086_200000210301 [1,0,0,1,0,0|1,0,1]=4 20483 B11R1.28 COCCCC1CCCCC1 34a_100138415774_100011713725 [1,0,0,1,0,0|1,0,1]=4 20484 B11R1.28 COCCCC1CCCCC1 7a_100000198086_200000210301 [1,0,0,1,0,0|1,0,1]=4 20485 B11R1.28 COCCCC1CCCCN1 34a_100011934581_200000210301 [1,0,0,1,0,0|2,0,0]=4 20486 B11R1.28 CSCCCC1CCCCC1 62a_100011713725_200000210301 [1,0,0,1,0,0|1,0,1]=4 20487 B11R1.28 CSCCCC1CCCCC1 62a_200000210301_100011713725 [1,0,0,1,0,0|1,0,1]=4 20488 B11R1.28 ClCCCOC1CCCCC1 34a_100000230001_100000210327 [1,0,0,1,0,0|2,0,0]=4 20489 B11R1.28 FCCCNC1CCCCC1 2230a_100000182618_100011934791 [1,0,0,1,0,0|2,0,0]=4 20490 B11R1.28 FCCCNC1CCCCC1 270004a_100015189416_100000210434 [1,0,0,1,0,0|2,0,0]=4 20491 B11R1.28 FCCCNC1CCCCC1 34a_100000182618_100011934791 [1,0,0,1,0,0|2,0,0]=4 20492 B11R1.28 FCCCNC1CCCCC1 34a_100015189416_100000210327 [1,0,0,1,0,0|2,0,0]=4 20493 B11R1.28 FCCCOC1CCCCC1 34a_100000210231_100011934791 [1,0,0,1,0,0|2,0,0]=4 20494 B11R1.28 FCCCOC1CCCCC1 34a_100000759539_100000210327 [1,0,0,1,0,0|2,0,0]=4 20495 B11R1.28 FCCCOC1CCCCC1 7a_100000210231_100011934791 [1,0,0,1,0,0|2,0,0]=4 20496 B11R1.28 FCCCSC1CCCCC1 62a_100000210327_100011934791 [1,0,0,1,0,0|2,0,0]=4 20497 B11R1.28 FCCCSC1CCCCC1 62a_100011934791_100000210327 [1,0,0,1,0,0|2,0,0]=4 20498 B11R1.28 FCCNCC1CCCCC1 2230a_100000210473_100011217306 [1,0,0,1,0,0|2,0,0]=4 20499 B11R1.28 FCCNCC1CCCCC1 269862a_100000724931_100000211278 [1,0,0,1,0,0|2,0,0]=4 20500 B11R1.28 FCCNCC1CCCCC1 34a_100000210473_100011217306 [1,0,0,1,0,0|2,0,0]=4 20501 B11R1.28 FCCNCC1CCCCC1 34a_100000724931_100000211423 [1,0,0,1,0,0|2,0,0]=4 20502 B11R1.28 FCCOCC1CCCCC1 34a_100000212181_100011217306 [1,0,0,1,0,0|2,0,0]=4 20503 B11R1.28 FCCOCC1CCCCC1 7a_100000212181_100011217306 [1,0,0,1,0,0|2,0,0]=4 20504 B11R1.28 FCCSCC1CCCCC1 62a_100000211423_100011217306 [1,0,0,1,0,0|2,0,0]=4 20505 B11R1.28 FCCSCC1CCCCC1 62a_100011217306_100000211423 [1,0,0,1,0,0|2,0,0]=4 20506 B11R1.28 FCNCCC1CCCCC1 34a_100000738074_100015361967 [1,0,0,1,0,0|2,0,0]=4 20507 B11R1.28 FCOCCC1CCCCC1 34a_100011217863_100015361967 [1,0,0,1,0,0|2,0,0]=4 20508 B11R1.28 FCOCCC1CCCCC1 7a_100011217863_100015361967 [1,0,0,1,0,0|2,0,0]=4 20509 B11R1.28 FCSCCC1CCCCC1 62a_100012355289_100015361967 [1,0,0,1,0,0|2,0,0]=4 20510 B11R1.28 FCSCCC1CCCCC1 62a_100015361967_100012355289 [1,0,0,1,0,0|2,0,0]=4 20511 B11R1.28 NCCCOC1CCCCC1 34a_100000182051_100000210327 [1,0,0,1,0,0|2,0,0]=4 20512 B11R1.28 NCCOCC1CCCCC1 34a_100000210304_100000211423 [1,0,0,1,0,0|2,0,0]=4 20513 B11R1.28 O=CCCCN1CCCOC1 2230a_100000131196_200011292268 [1,0,0,1,0,0|2,0,0]=4 20514 B11R1.28 O=CCCCN1CCCOC1 269982a_100000131196_200011292268 [1,0,0,1,0,0|2,0,0]=4 20515 B11R1.28 O=CCCCN1CCOCC1 2230a_100015191051_200011292268 [1,0,0,1,0,0|2,0,0]=4 20516 B11R1.28 O=CCCCN1CCOCC1 269982a_100015191051_200011292268 [1,0,0,1,0,0|2,0,0]=4 20517 B11R1.28 O=CCCCN1CCSCC1 2230a_100000737611_200011292268 [1,0,0,1,0,0|2,0,0]=4 20518 B11R1.28 O=CCCCN1CCSCC1 269982a_100000737611_200011292268 [1,0,0,1,0,0|2,0,0]=4 20519 B11R1.28 O=CCNCC1CCCCC1 2230a_100000210473_200015260668 [1,0,0,1,0,0|1,0,0]=3 20520 B11R1.28 O=CCNCC1CCCCC1 34a_100000210473_200009817547 [1,0,0,1,0,0|1,0,0]=3 20521 B11R1.28 O=CCNCC1CCCCO1 2230a_100000174945_200015260668 [1,0,0,1,0,0|2,0,0]=4 20522 B11R1.28 O=CCNCC1CCCCO1 34a_100000174945_200009817547 [1,0,0,1,0,0|2,0,0]=4 20523 B11R1.28 O=CCNCC1CCCOC1 2230a_100000720124_200015260668 [1,0,0,1,0,0|2,0,0]=4 20524 B11R1.28 O=CCNCC1CCCOC1 34a_100000720124_200009817547 [1,0,0,1,0,0|2,0,0]=4 20525 B11R1.28 O=CCNCC1CCOCC1 2230a_100000746373_200015260668 [1,0,0,1,0,0|2,0,0]=4 20526 B11R1.28 O=CCNCC1CCOCC1 34a_100000746373_200009817547 [1,0,0,1,0,0|2,0,0]=4 20527 B11R1.28 O=CCNCC1CCSCC1 2230a_100015188806_200015260668 [1,0,0,1,0,0|2,0,0]=4 20528 B11R1.28 O=CCNCC1CCSCC1 34a_100015188806_200009817547 [1,0,0,1,0,0|2,0,0]=4 20529 B11R1.28 O=CCOCC1CCCCC1 34a_100000212181_200009817547 [1,0,0,1,0,0|1,0,0]=3 20530 B11R1.28 O=CCOCC1CCCCC1 7a_100000212181_200015260668 [1,0,0,1,0,0|1,0,0]=3 20531 B11R1.28 O=CCOCC1CCCCN1 34a_100000210821_200009817547 [1,0,0,1,0,0|2,0,0]=4 20532 B11R1.28 O=CCOCC1CCCCO1 34a_100000211370_200009817547 [1,0,0,1,0,0|2,0,0]=4 20533 B11R1.28 O=CCOCC1CCCCO1 7a_100000211370_200015260668 [1,0,0,1,0,0|2,0,0]=4 20534 B11R1.28 O=CCOCC1CCCNC1 34a_100000211344_200009817547 [1,0,0,1,0,0|2,0,0]=4 20535 B11R1.28 O=CCOCC1CCCOC1 34a_100000741520_200009817547 [1,0,0,1,0,0|2,0,0]=4 20536 B11R1.28 O=CCOCC1CCNCC1 34a_100000738675_200009817547 [1,0,0,1,0,0|2,0,0]=4 20537 B11R1.28 O=CCOCC1CCOCC1 34a_100000749013_200009817547 [1,0,0,1,0,0|2,0,0]=4 20538 B11R1.28 O=CCOCC1CCSCC1 34a_100000070558_200009817547 [1,0,0,1,0,0|2,0,0]=4 20539 B11R1.28 O=CCOCC1CCSCC1 7a_100000070558_200015260668 [1,0,0,1,0,0|2,0,0]=4 20540 B11R1.28 O=CCSCC1CCCCC1 62a_100000211423_200015260668 [1,0,0,1,0,0|1,0,0]=3 20541 B11R1.28 O=CCSCC1CCCCC1 62a_200015260668_100000211423 [1,0,0,1,0,0|1,0,0]=3 20542 B11R1.28 O=CCSCC1CCCCO1 62a_100000211543_200015260668 [1,0,0,1,0,0|2,0,0]=4 20543 B11R1.28 O=CCSCC1CCCCO1 62a_200015260668_100000211543 [1,0,0,1,0,0|2,0,0]=4 20544 B11R1.28 O=CCSCC1CCCOC1 62a_100000741521_200015260668 [1,0,0,1,0,0|2,0,0]=4 20545 B11R1.28 O=CCSCC1CCCOC1 62a_200015260668_100000741521 [1,0,0,1,0,0|2,0,0]=4 20546 B11R1.28 O=CCSCC1CCOCC1 62a_100000754603_200015260668 [1,0,0,1,0,0|2,0,0]=4 20547 B11R1.28 O=CCSCC1CCOCC1 62a_200015260668_100000749018 [1,0,0,1,0,0|2,0,0]=4 20548 B11R1.28 OCCCNC1CCCCC1 2230a_100000182618_100000230001 [1,0,0,1,0,0|1,0,1]=4 20549 B11R1.28 OCCCNC1CCCCC1 270004a_100000182051_100000210434 [1,0,0,1,0,0|1,0,1]=4 20550 B11R1.28 OCCCNC1CCCCC1 34a_100000182618_100000230001 [1,0,0,1,0,0|1,0,1]=4 20551 B11R1.28 OCCCOC1CCCCC1 34a_100000210231_100000230001 [1,0,0,1,0,0|1,0,1]=4 20552 B11R1.28 OCCCOC1CCCCC1 7a_100000210231_100011215043 [1,0,0,1,0,0|1,0,1]=4 20553 B11R1.28 OCCCSC1CCCCC1 62a_100000210327_100011215043 [1,0,0,1,0,0|1,0,1]=4 20554 B11R1.28 OCCCSC1CCCCC1 62a_100011215043_100000210327 [1,0,0,1,0,0|1,0,1]=4 20555 B11R1.28 OCCNCC1CCCCC1 2230a_100000210473_100000211926 [1,0,0,1,0,0|1,0,1]=4 20556 B11R1.28 OCCNCC1CCCCC1 2230a_100016997473_100000211423 [1,0,0,1,0,0|1,0,1]=4 20557 B11R1.28 OCCNCC1CCCCC1 269862a_100000210304_100000211278 [1,0,0,1,0,0|1,0,1]=4 20558 B11R1.28 OCCNCC1CCCCC1 34a_100000210473_100000211926 [1,0,0,1,0,0|1,0,1]=4 20559 B11R1.28 OCCNCC1CCCCC1 34a_100016990907_100000211423 [1,0,0,1,0,0|1,0,1]=4 20560 B11R1.28 OCCOCC1CCCCC1 34a_100000212181_100000211926 [1,0,0,1,0,0|1,0,1]=4 20561 B11R1.28 OCCOCC1CCCCC1 7a_100000212181_100000211926 [1,0,0,1,0,0|1,0,1]=4 20562 B11R1.28 OCCSCC1CCCCC1 62a_100000211423_100000211926 [1,0,0,1,0,0|1,0,1]=4 20563 B11R1.28 OCCSCC1CCCCC1 62a_100000211926_100000211423 [1,0,0,1,0,0|1,0,1]=4 20564 B11R1.28 [13CH3]NCCCC1CCCCC1 2230a_100011211642_200025704644 [1,0,0,1,0,0|1,0,1]=4 20565 B11R1.28 [13CH3]NCCCC1CCCCC1 34a_100011211642_200025704644 [1,0,0,1,0,0|1,0,1]=4 20566 B11R1.28 [13CH3]OCCCC1CCCCC1 34a_100000198086_200025704644 [1,0,0,1,0,0|1,0,1]=4 20567 B11R1.28 [13CH3]OCCCC1CCCCC1 7a_100000198086_200025704644 [1,0,0,1,0,0|1,0,1]=4 20568 B11R1.28 [13CH3]OCCCC1CCCCN1 34a_100011934581_200025704644 [1,0,0,1,0,0|2,0,0]=4 20569 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_100011713725_200025704644 [1,0,0,1,0,0|1,0,1]=4 20570 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_200025704644_100011713725 [1,0,0,1,0,0|1,0,1]=4 20571 B11R1.41 C=CCC1CCCCC1NC 269862a_106832991636_100011214939 [1,0,0,1,0,0|1,0,1]=4 20572 B11R1.41 C=CCC1CCCCC1NC 270004a_106832991635_100011214939 [1,0,0,1,0,0|1,0,1]=4 20573 B11R1.41 C=CCN1CCCCC1CC 2230a_100000210034_100000210623 [1,0,0,1,0,0|1,0,1]=4 20574 B11R1.41 C=CCN1CCCCC1CC 269982a_100000210034_100000210623 [1,0,0,1,0,0|1,0,1]=4 20575 B11R1.41 C=CCN1CCCCC1CC 34a_100000210034_100015514636 [1,0,0,1,0,0|1,0,1]=4 20576 B11R1.41 CCC1CCCCC1OCF 34a_100000210738_100015361967 [1,0,0,1,0,0|2,0,0]=4 20577 B11R1.41 CCC1CCCCC1OCF 7a_100000210738_100015361967 [1,0,0,1,0,0|2,0,0]=4 20578 B11R1.41 CCC1CCCCN1CC=O 2230a_100000210034_200015260668 [1,0,0,1,0,0|1,0,0]=3 20579 B11R1.41 CCC1CCCCN1CC=O 269982a_100000210034_200015260668 [1,0,0,1,0,0|1,0,0]=3 20580 B11R1.41 CCC1CCCCN1CC=O 34a_100000210034_200009817547 [1,0,0,1,0,0|1,0,0]=3 20581 B11R1.41 CCC1CCCCN1CCF 2230a_100000210034_100011217306 [1,0,0,1,0,0|2,0,0]=4 20582 B11R1.41 CCC1CCCCN1CCF 269982a_100000210034_100011217306 [1,0,0,1,0,0|2,0,0]=4 20583 B11R1.41 CCC1CCCCN1CCF 34a_100000210034_100011217306 [1,0,0,1,0,0|2,0,0]=4 20584 B11R1.41 CCC1CCCCN1CCO 2230a_100000210034_100000211926 [1,0,0,1,0,0|1,0,1]=4 20585 B11R1.41 CCC1CCCCN1CCO 269982a_100000210034_100000211926 [1,0,0,1,0,0|1,0,1]=4 20586 B11R1.41 CCC1CCCCN1CCO 34a_100000210034_100000211926 [1,0,0,1,0,0|1,0,1]=4 20587 B11R1.41 CCCC1CCCCC1NC 269862a_106832991636_100011218038 [1,0,0,1,0,0|1,0,1]=4 20588 B11R1.41 CCCC1CCCCC1NC 270004a_106832991635_100011218038 [1,0,0,1,0,0|1,0,1]=4 20589 B11R1.41 CCCC1CCCCC1OC 34a_100011217265_200000210301 [1,0,0,1,0,0|1,0,1]=4 20590 B11R1.41 CCCC1CCCCC1OC 7a_100011217265_200000210301 [1,0,0,1,0,0|1,0,1]=4 20591 B11R1.41 CCCC1CCCCC1O[13CH3] 34a_100011217265_200025704644 [1,0,0,1,0,0|1,0,1]=4 20592 B11R1.41 CCCC1CCCCC1O[13CH3] 7a_100011217265_200025704644 [1,0,0,1,0,0|1,0,1]=4 20593 B11R1.41 CCCC1CCCCN1CC 2230a_100000701414_100000210202 [1,0,0,1,0,0|1,0,1]=4 20594 B11R1.41 CCCC1CCCCN1CC 269982a_100000701414_100000204670 [1,0,0,1,0,0|1,0,1]=4 20595 B11R1.41 CCCC1CCCCN1CC 34a_100000701414_100000210202 [1,0,0,1,0,0|1,0,1]=4 20596 B11R1.41 CCCC1CCCCN1CF 269982a_100000701414_100015361967 [1,0,0,1,0,0|2,0,0]=4 20597 B11R1.41 CCCC1CCCCN1CF 34a_100000701414_100015361967 [1,0,0,1,0,0|2,0,0]=4 20598 B11R1.41 CCCN1CCCCC1CC 2230a_100000210034_100000210303 [1,0,0,1,0,0|1,0,1]=4 20599 B11R1.41 CCCN1CCCCC1CC 269982a_100000210034_100000210303 [1,0,0,1,0,0|1,0,1]=4 20600 B11R1.41 CCCN1CCCCC1CC 34a_100000210034_100000210303 [1,0,0,1,0,0|1,0,1]=4 20601 B11R1.41 CCCN1CCCCC1CO 2230a_100000210821_100000210303 [1,0,0,1,0,0|1,0,1]=4 20602 B11R1.41 CCCN1CCCCC1CO 269982a_100000210821_100000210303 [1,0,0,1,0,0|1,0,1]=4 20603 B11R1.41 CCCN1CCCCC1CO 34a_100000210821_100000210303 [1,0,0,1,0,0|1,0,1]=4 20604 B11R1.41 CCN1CCCCC1CCO 2230a_100000211664_100000210202 [1,0,0,1,0,0|1,0,1]=4 20605 B11R1.41 CCN1CCCCC1CCO 269982a_100000211664_100000204670 [1,0,0,1,0,0|1,0,1]=4 20606 B11R1.41 CCN1CCCCC1CCO 34a_100000211664_100000210202 [1,0,0,1,0,0|1,0,1]=4 20607 B11R1.41 CCNC1CCCCC1CC 269862a_100015525214_100000757040 [1,0,0,1,0,0|1,0,1]=4 20608 B11R1.41 CCNC1CCCCC1CC 270004a_100015525214_100000757040 [1,0,0,1,0,0|1,0,1]=4 20609 B11R1.41 CCNC1CCCCC1CO 270004a_100015525214_100009861125 [1,0,0,1,0,0|1,0,1]=4 20610 B11R1.41 CCOC1CCCCC1CC 34a_100000210738_100000210202 [1,0,0,1,0,0|1,0,1]=4 20611 B11R1.41 CCOC1CCCCC1CC 7a_100000210738_100000210202 [1,0,0,1,0,0|1,0,1]=4 20612 B11R1.41 CCOC1CCCCC1CN 34a_100011216029_100000210202 [1,0,0,1,0,0|2,0,0]=4 20613 B11R1.41 CC[C@H]1COCCN1CC=O 2230a_100016988097_200015260668 [1,0,0,1,0,0|2,0,0]=4 20614 B11R1.41 CC[C@H]1COCCN1CC=O 269982a_100016988097_200015260668 [1,0,0,1,0,0|2,0,0]=4 20615 B11R1.41 CC[C@H]1COCCN1CC=O 34a_100016988097_200009817547 [1,0,0,1,0,0|2,0,0]=4 20616 B11R1.41 O=CCN1CCCCC1CO 2230a_100000210821_200015260668 [1,0,0,1,0,0|2,0,0]=4 20617 B11R1.41 O=CCN1CCCCC1CO 269982a_100000210821_200015260668 [1,0,0,1,0,0|2,0,0]=4 20618 B11R1.41 O=CCN1CCCCC1CO 34a_100000210821_200009817547 [1,0,0,1,0,0|2,0,0]=4 20619 B11R1.46 C=CCCCOCC1CC1C 34a_100000744939_100000757094 [1,0,0,1,0,0|1,0,1]=4 20620 B11R1.46 C=CCCCOCC1CC1C 7a_100000744939_100000757094 [1,0,0,1,0,0|1,0,1]=4 20621 B11R1.46 CC1CC1COCCCC=O 7a_100000744939_200011292268 [1,0,0,1,0,0|1,0,0]=3 20622 B11R1.46 CC1CC1COCCCCF 34a_100000744939_100000729493 [1,0,0,1,0,0|2,0,0]=4 20623 B11R1.46 CC1CC1COCCCCF 7a_100000744939_100000729493 [1,0,0,1,0,0|2,0,0]=4 20624 B11R1.46 CC1CC1COCCCCO 34a_100000744939_100011216708 [1,0,0,1,0,0|1,0,1]=4 20625 B11R1.46 CC1CC1COCCCCO 7a_100000744939_100000210776 [1,0,0,1,0,0|1,0,1]=4 20626 B11R1.46 CCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210314 [1,0,0,1,0,0|2,0,0]=4 20627 B11R1.46 CCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210314 [1,0,0,1,0,0|2,0,0]=4 20628 B11R1.46 CCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210314 [1,0,0,1,0,0|2,0,0]=4 20629 B11R1.46 CCCCCOCC1CC1C 34a_100000744939_100000718602 [1,0,0,1,0,0|1,0,1]=4 20630 B11R1.46 CCCCCOCC1CC1C 7a_100000744939_100000210326 [1,0,0,1,0,0|1,0,1]=4 20631 B11R1.46 O=CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000139335 [1,0,0,1,0,0|2,0,0]=4 20632 B11R1.46 O=CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000139335 [1,0,0,1,0,0|2,0,0]=4 20633 B11R1.47 BrCCCCCOC1CCC1 34a_100000746331_100000749161 [1,0,0,1,0,0|2,0,0]=4 20634 B11R1.47 BrCCCCOCC1CCC1 34a_100011216708_100000763275 [1,0,0,1,0,0|2,0,0]=4 20635 B11R1.47 C=CCCCCCN1CCC1 269982a_100000754969_100000700193 [1,0,0,1,0,0|1,0,1]=4 20636 B11R1.47 C=CCCCCNC1CCC1 2230a_100000749019_100011215482 [1,0,0,1,0,0|1,0,1]=4 20637 B11R1.47 C=CCCCCNC1CCC1 270004a_100000703577_100000241760 [1,0,0,1,0,0|1,0,1]=4 20638 B11R1.47 C=CCCCCNC1CCC1 34a_100000703577_100000749161 [1,0,0,1,0,0|1,0,1]=4 20639 B11R1.47 C=CCCCCNC1CCC1 34a_100000749019_100011215482 [1,0,0,1,0,0|1,0,1]=4 20640 B11R1.47 C=CCCCCOC1CCC1 34a_100000748187_100011215482 [1,0,0,1,0,0|1,0,1]=4 20641 B11R1.47 C=CCCCCOC1CCC1 34a_100000766645_100000749161 [1,0,0,1,0,0|1,0,1]=4 20642 B11R1.47 C=CCCCCSC1CCC1 62a_100011215482_100000749161 [1,0,0,1,0,0|1,0,1]=4 20643 B11R1.47 C=CCCCNCC1CCC1 2230a_100000700776_100000763275 [1,0,0,1,0,0|1,0,1]=4 20644 B11R1.47 C=CCCCNCC1CCC1 2230a_100000738700_100011713584 [1,0,0,1,0,0|1,0,1]=4 20645 B11R1.47 C=CCCCNCC1CCC1 269862a_100000700776_100000753134 [1,0,0,1,0,0|1,0,1]=4 20646 B11R1.47 C=CCCCNCC1CCC1 34a_100000700776_100000763275 [1,0,0,1,0,0|1,0,1]=4 20647 B11R1.47 C=CCCCNCC1CCC1 34a_100000738700_100000757094 [1,0,0,1,0,0|1,0,1]=4 20648 B11R1.47 C=CCCCOCC1CCC1 34a_100000758997_100000763275 [1,0,0,1,0,0|1,0,1]=4 20649 B11R1.47 C=CCCCOCC1CCC1 34a_100000760304_100000757094 [1,0,0,1,0,0|1,0,1]=4 20650 B11R1.47 C=CCCCOCC1CCC1 7a_100000758997_100000763275 [1,0,0,1,0,0|1,0,1]=4 20651 B11R1.47 C=CCCCSCC1CCC1 62a_100000763275_100000757094 [1,0,0,1,0,0|1,0,1]=4 20652 B11R1.47 C=CCCCSCC1CCC1 62a_100011713584_100000763275 [1,0,0,1,0,0|1,0,1]=4 20653 B11R1.47 CCCCCCCN1CCC1 269982a_100000754969_100000210681 [1,0,0,1,0,0|1,0,1]=4 20654 B11R1.47 CCCCCCNC1CCC1 2230a_100000749019_100000210314 [1,0,0,1,0,0|1,0,1]=4 20655 B11R1.47 CCCCCCNC1CCC1 270004a_100000210581_100000241760 [1,0,0,1,0,0|1,0,1]=4 20656 B11R1.47 CCCCCCNC1CCC1 34a_100000749019_100000210314 [1,0,0,1,0,0|1,0,1]=4 20657 B11R1.47 CCCCCCOC1CCC1 34a_100000210259_100000749161 [1,0,0,1,0,0|1,0,1]=4 20658 B11R1.47 CCCCCCOC1CCC1 34a_100000748187_100000210314 [1,0,0,1,0,0|1,0,1]=4 20659 B11R1.47 CCCCCCSC1CCC1 62a_100000210314_100000749161 [1,0,0,1,0,0|1,0,1]=4 20660 B11R1.47 CCCCCNCC1CCC1 2230a_100000209983_100000763275 [1,0,0,1,0,0|1,0,1]=4 20661 B11R1.47 CCCCCNCC1CCC1 2230a_100000738700_100000210326 [1,0,0,1,0,0|1,0,1]=4 20662 B11R1.47 CCCCCNCC1CCC1 269862a_100000209983_100000753134 [1,0,0,1,0,0|1,0,1]=4 20663 B11R1.47 CCCCCNCC1CCC1 34a_100000738700_100000718602 [1,0,0,1,0,0|1,0,1]=4 20664 B11R1.47 CCCCCNCC1CCO1 2230a_100000209983_100000103362 [1,0,0,1,0,0|1,0,1]=4 20665 B11R1.47 CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210326 [1,0,0,1,0,0|1,0,1]=4 20666 B11R1.47 CCCCCNC[C@@H]1CCO1 34a_100020831831_100000718602 [1,0,0,1,0,0|1,0,1]=4 20667 B11R1.47 CCCCCOCC1CCC1 34a_100000210253_100000763275 [1,0,0,1,0,0|1,0,1]=4 20668 B11R1.47 CCCCCOCC1CCC1 34a_100000760304_100000718602 [1,0,0,1,0,0|1,0,1]=4 20669 B11R1.47 CCCCCOCC1CCC1 7a_100000210253_100000763275 [1,0,0,1,0,0|1,0,1]=4 20670 B11R1.47 CCCCCOCC1CCO1 34a_100000039022_100000718602 [1,0,0,1,0,0|1,0,1]=4 20671 B11R1.47 CCCCCOCC1CCO1 34a_100000210253_100000103362 [1,0,0,1,0,0|1,0,1]=4 20672 B11R1.47 CCCCCOCC1CCO1 7a_100000210253_100000103362 [1,0,0,1,0,0|1,0,1]=4 20673 B11R1.47 CCCCCSCC1CCC1 62a_100000210326_100000763275 [1,0,0,1,0,0|1,0,1]=4 20674 B11R1.47 CCCCCSCC1CCC1 62a_100000763275_100000210326 [1,0,0,1,0,0|1,0,1]=4 20675 B11R1.47 CCCCCSCC1CCO1 62a_100000103362_100000210326 [1,0,0,1,0,0|1,0,1]=4 20676 B11R1.47 CCCCCSCC1CCO1 62a_100000210326_100000103362 [1,0,0,1,0,0|1,0,1]=4 20677 B11R1.47 ClCCCCCOC1CCC1 34a_100000746330_100000749161 [1,0,0,1,0,0|2,0,0]=4 20678 B11R1.47 ClCCCCOCC1CCC1 34a_100000210776_100000763275 [1,0,0,1,0,0|2,0,0]=4 20679 B11R1.47 ClCCCCOCC1CCC1 7a_100000210776_100000763275 [1,0,0,1,0,0|2,0,0]=4 20680 B11R1.47 FCCCCCCN1CCC1 269982a_100000754969_100015922095 [1,0,0,1,0,0|2,0,0]=4 20681 B11R1.47 FCCCCCNC1CCC1 2230a_100000749019_100000729378 [1,0,0,1,0,0|2,0,0]=4 20682 B11R1.47 FCCCCCNC1CCC1 34a_100000749019_100000729378 [1,0,0,1,0,0|2,0,0]=4 20683 B11R1.47 FCCCCCOC1CCC1 34a_100000748187_100000729378 [1,0,0,1,0,0|2,0,0]=4 20684 B11R1.47 FCCCCCSC1CCC1 62a_100000729378_100000749161 [1,0,0,1,0,0|2,0,0]=4 20685 B11R1.47 FCCCCNCC1CCC1 2230a_100000738700_100000729493 [1,0,0,1,0,0|2,0,0]=4 20686 B11R1.47 FCCCCNCC1CCC1 34a_100000738700_100000729493 [1,0,0,1,0,0|2,0,0]=4 20687 B11R1.47 FCCCCOCC1CCC1 34a_100000760304_100000729493 [1,0,0,1,0,0|2,0,0]=4 20688 B11R1.47 FCCCCOCC1CCC1 34a_100011995726_100000763275 [1,0,0,1,0,0|2,0,0]=4 20689 B11R1.47 FCCCCOCC1CCC1 7a_100011995726_100000763275 [1,0,0,1,0,0|2,0,0]=4 20690 B11R1.47 FCCCCSCC1CCC1 62a_100000729493_100000763275 [1,0,0,1,0,0|2,0,0]=4 20691 B11R1.47 FCCCCSCC1CCC1 62a_100000763275_100000729493 [1,0,0,1,0,0|2,0,0]=4 20692 B11R1.47 ICCCCCOC1CCC1 34a_200012148887_100000749161 [1,0,0,1,0,0|2,0,0]=4 20693 B11R1.47 ICCCCOCC1CCC1 34a_200012148704_100000763275 [1,0,0,1,0,0|2,0,0]=4 20694 B11R1.47 NCCCCCOC1CCC1 34a_100000762737_100000749161 [1,0,0,1,0,0|2,0,0]=4 20695 B11R1.47 NCCCCOCC1CCC1 34a_100000750430_100000763275 [1,0,0,1,0,0|2,0,0]=4 20696 B11R1.47 O=CCCCCCN1CCC1 269982a_100000754969_100000139337 [1,0,0,1,0,0|1,0,0]=3 20697 B11R1.47 O=CCCCCNC1CCC1 2230a_100000749019_100000139335 [1,0,0,1,0,0|1,0,0]=3 20698 B11R1.47 O=CCCCCNC1COC1 2230a_100016991112_100000139335 [1,0,0,1,0,0|2,0,0]=4 20699 B11R1.47 O=CCCCCOC1CSC1 7a_100000072292_100000139335 [1,0,0,1,0,0|2,0,0]=4 20700 B11R1.47 O=CCCCCSC1CCC1 62a_100000139335_100000749161 [1,0,0,1,0,0|1,0,0]=3 20701 B11R1.47 O=CCCCCSC1COC1 62a_100000139335_100009818527 [1,0,0,1,0,0|2,0,0]=4 20702 B11R1.47 O=CCCCNCC1CCC1 2230a_100000738700_200011292268 [1,0,0,1,0,0|1,0,0]=3 20703 B11R1.47 O=CCCCNCC1COC1 2230a_100015281925_200011292268 [1,0,0,1,0,0|2,0,0]=4 20704 B11R1.47 O=CCCCNC[C@@H]1CCO1 2230a_100020831831_200011292268 [1,0,0,1,0,0|2,0,0]=4 20705 B11R1.47 O=CCCCSCC1CCC1 62a_100000763275_200011292268 [1,0,0,1,0,0|1,0,0]=3 20706 B11R1.47 O=CCCCSCC1CCC1 62a_200011292268_100000763275 [1,0,0,1,0,0|1,0,0]=3 20707 B11R1.47 O=CCCCSCC1CCO1 62a_100000103362_200011292268 [1,0,0,1,0,0|2,0,0]=4 20708 B11R1.47 O=CCCCSCC1CCO1 62a_200011292268_100000103362 [1,0,0,1,0,0|2,0,0]=4 20709 B11R1.47 O=CCCCSCC1COC1 62a_100010264016_200011292268 [1,0,0,1,0,0|2,0,0]=4 20710 B11R1.47 O=CCCCSCC1COC1 62a_200011292268_100010264016 [1,0,0,1,0,0|2,0,0]=4 20711 B11R1.47 OCCCCCCN1CCC1 269982a_100000754969_100000766143 [1,0,0,1,0,0|1,0,1]=4 20712 B11R1.47 OCCCCCNC1CCC1 2230a_100000749019_100000746330 [1,0,0,1,0,0|1,0,1]=4 20713 B11R1.47 OCCCCCNC1CCC1 270004a_100000762737_100000241760 [1,0,0,1,0,0|1,0,1]=4 20714 B11R1.47 OCCCCCNC1CCC1 34a_100000749019_100000746330 [1,0,0,1,0,0|1,0,1]=4 20715 B11R1.47 OCCCCCNC1CCC1 34a_100000762737_100000749161 [1,0,0,1,0,0|1,0,1]=4 20716 B11R1.47 OCCCCCOC1CCC1 34a_100000748187_100000746330 [1,0,0,1,0,0|1,0,1]=4 20717 B11R1.47 OCCCCCSC1CCC1 62a_100000746330_100000749161 [1,0,0,1,0,0|1,0,1]=4 20718 B11R1.47 OCCCCNCC1CCC1 2230a_100000738700_100000210776 [1,0,0,1,0,0|1,0,1]=4 20719 B11R1.47 OCCCCNCC1CCC1 2230a_100000750430_100000763275 [1,0,0,1,0,0|1,0,1]=4 20720 B11R1.47 OCCCCNCC1CCC1 269862a_100000750430_100000753134 [1,0,0,1,0,0|1,0,1]=4 20721 B11R1.47 OCCCCNCC1CCC1 34a_100000738700_100011216708 [1,0,0,1,0,0|1,0,1]=4 20722 B11R1.47 OCCCCNCC1CCC1 34a_100000750430_100000763275 [1,0,0,1,0,0|1,0,1]=4 20723 B11R1.47 OCCCCOCC1CCC1 34a_100000760304_100011216708 [1,0,0,1,0,0|1,0,1]=4 20724 B11R1.47 OCCCCSCC1CCC1 62a_100000210776_100000763275 [1,0,0,1,0,0|1,0,1]=4 20725 B11R1.47 OCCCCSCC1CCC1 62a_100000763275_100000210776 [1,0,0,1,0,0|1,0,1]=4 20726 B11R1.99 BrCCCCCCOC1CC1 34a_100011215345_100000211595 [1,0,0,1,0,0|2,0,0]=4 20727 B11R1.99 BrCCCCCOCC1CC1 34a_100000746331_100000742324 [1,0,0,1,0,0|2,0,0]=4 20728 B11R1.99 BrCCCCCOCC1CC1 7a_100000746331_100000742324 [1,0,0,1,0,0|2,0,0]=4 20729 B11R1.99 BrCCCCOCCC1CC1 34a_100011216708_100000694398 [1,0,0,1,0,0|2,0,0]=4 20730 B11R1.99 C=CCCCCCNC1CC1 34a_100000212008_100000700193 [1,0,0,1,0,0|1,0,1]=4 20731 B11R1.99 C=CCCCCCOC1CC1 34a_100011216702_100000211595 [1,0,0,1,0,0|1,0,1]=4 20732 B11R1.99 C=CCCCCCSC1CC1 62a_100000700193_100000211595 [1,0,0,1,0,0|1,0,1]=4 20733 B11R1.99 C=CCCCCNCC1CC1 2230a_100000703577_100000742324 [1,0,0,1,0,0|1,0,1]=4 20734 B11R1.99 C=CCCCCNCC1CC1 2230a_100000735609_100011215482 [1,0,0,1,0,0|1,0,1]=4 20735 B11R1.99 C=CCCCCNCC1CC1 269862a_100000703577_100000741477 [1,0,0,1,0,0|1,0,1]=4 20736 B11R1.99 C=CCCCCNCC1CC1 34a_100000703577_100000742324 [1,0,0,1,0,0|1,0,1]=4 20737 B11R1.99 C=CCCCCNCC1CC1 34a_100000735609_100011215482 [1,0,0,1,0,0|1,0,1]=4 20738 B11R1.99 C=CCCCCOCC1CC1 34a_100000211283_100011215482 [1,0,0,1,0,0|1,0,1]=4 20739 B11R1.99 C=CCCCCOCC1CC1 34a_100000766645_100000742324 [1,0,0,1,0,0|1,0,1]=4 20740 B11R1.99 C=CCCCCOCC1CC1 7a_100000766645_100000742324 [1,0,0,1,0,0|1,0,1]=4 20741 B11R1.99 C=CCCCCSCC1CC1 62a_100000756562_100011215482 [1,0,0,1,0,0|1,0,1]=4 20742 B11R1.99 C=CCCCCSCC1CC1 62a_100011215482_100000742324 [1,0,0,1,0,0|1,0,1]=4 20743 B11R1.99 C=CCCCNCCC1CC1 2230a_100000700776_100000694398 [1,0,0,1,0,0|1,0,1]=4 20744 B11R1.99 C=CCCCNCCC1CC1 34a_100000700776_100000694398 [1,0,0,1,0,0|1,0,1]=4 20745 B11R1.99 C=CCCCNCCC1CC1 34a_100000764129_100000757094 [1,0,0,1,0,0|1,0,1]=4 20746 B11R1.99 C=CCCCOCCC1CC1 34a_100000754188_100000757094 [1,0,0,1,0,0|1,0,1]=4 20747 B11R1.99 C=CCCCOCCC1CC1 34a_100000758997_100000694398 [1,0,0,1,0,0|1,0,1]=4 20748 B11R1.99 C=CCCCOCCC1CC1 7a_100000754188_100000757094 [1,0,0,1,0,0|1,0,1]=4 20749 B11R1.99 C=CCCCOCCC1CC1 7a_100000758997_100000764125 [1,0,0,1,0,0|1,0,1]=4 20750 B11R1.99 C=CCCCSCCC1CC1 62a_100000764125_100000757094 [1,0,0,1,0,0|1,0,1]=4 20751 B11R1.99 C=CCCCSCCC1CC1 62a_100011713584_100000764125 [1,0,0,1,0,0|1,0,1]=4 20752 B11R1.99 CCCCCCCNC1CC1 34a_100000212008_100000210614 [1,0,0,1,0,0|1,0,1]=4 20753 B11R1.99 CCCCCCCOC1CC1 34a_100000210272_100000211595 [1,0,0,1,0,0|1,0,1]=4 20754 B11R1.99 CCCCCCCSC1CC1 62a_100000210614_100000211595 [1,0,0,1,0,0|1,0,1]=4 20755 B11R1.99 CCCCCCNCC1CC1 2230a_100000210581_100000742324 [1,0,0,1,0,0|1,0,1]=4 20756 B11R1.99 CCCCCCNCC1CC1 2230a_100000735609_100000210314 [1,0,0,1,0,0|1,0,1]=4 20757 B11R1.99 CCCCCCNCC1CC1 269862a_100000210581_100000741477 [1,0,0,1,0,0|1,0,1]=4 20758 B11R1.99 CCCCCCNCC1CC1 34a_100000735609_100000210314 [1,0,0,1,0,0|1,0,1]=4 20759 B11R1.99 CCCCCCNCC1CO1 2230a_100000210581_100011216344 [1,0,0,1,0,0|1,0,1]=4 20760 B11R1.99 CCCCCCOCC1CC1 34a_100000210259_100000742324 [1,0,0,1,0,0|1,0,1]=4 20761 B11R1.99 CCCCCCOCC1CC1 34a_100000211283_100000210314 [1,0,0,1,0,0|1,0,1]=4 20762 B11R1.99 CCCCCCOCC1CC1 7a_100000210259_100000742324 [1,0,0,1,0,0|1,0,1]=4 20763 B11R1.99 CCCCCCOCC1CO1 34a_100000210259_102125554688 [1,0,0,1,0,0|1,0,1]=4 20764 B11R1.99 CCCCCCOCC1CO1 7a_100000210259_102125554688 [1,0,0,1,0,0|1,0,1]=4 20765 B11R1.99 CCCCCCOCC1CS1 7a_100000210259_100000031435 [1,0,0,1,0,0|1,1,0]=4 20766 B11R1.99 CCCCCCOC[C@@H]1CO1 34a_100000757423_100000210314 [1,0,0,1,0,0|1,0,1]=4 20767 B11R1.99 CCCCCCOC[C@@H]1CO1 7a_100000210259_100000745022 [1,0,0,1,0,0|1,0,1]=4 20768 B11R1.99 CCCCCCSCC1CC1 62a_100000210314_100000742324 [1,0,0,1,0,0|1,0,1]=4 20769 B11R1.99 CCCCCCSCC1CC1 62a_100000756562_100000210757 [1,0,0,1,0,0|1,0,1]=4 20770 B11R1.99 CCCCCCSCC1CO1 62a_100000210314_102125554688 [1,0,0,1,0,0|1,0,1]=4 20771 B11R1.99 CCCCCCSCC1CO1 62a_102125554688_100000210757 [1,0,0,1,0,0|1,0,1]=4 20772 B11R1.99 CCCCCCSCC1CS1 62a_100000031435_100000210757 [1,0,0,1,0,0|1,1,0]=4 20773 B11R1.99 CCCCCCSCC1CS1 62a_100000210314_100000031435 [1,0,0,1,0,0|1,1,0]=4 20774 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000210314_100000745022 [1,0,0,1,0,0|1,0,1]=4 20775 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000745022_100000210757 [1,0,0,1,0,0|1,0,1]=4 20776 B11R1.99 CCCCCNCCC1CC1 2230a_100000209983_100000694398 [1,0,0,1,0,0|1,0,1]=4 20777 B11R1.99 CCCCCNCCC1CC1 34a_100000764129_100000718602 [1,0,0,1,0,0|1,0,1]=4 20778 B11R1.99 CCCCCNCCC1CO1 2230a_100000209983_100000732470 [1,0,0,1,0,0|1,0,1]=4 20779 B11R1.99 CCCCCOCCC1CC1 34a_100000210253_100000694398 [1,0,0,1,0,0|1,0,1]=4 20780 B11R1.99 CCCCCOCCC1CC1 34a_100000754188_100000718602 [1,0,0,1,0,0|1,0,1]=4 20781 B11R1.99 CCCCCOCCC1CC1 7a_100000210253_100000764125 [1,0,0,1,0,0|1,0,1]=4 20782 B11R1.99 CCCCCOCCC1CC1 7a_100000754188_100000210326 [1,0,0,1,0,0|1,0,1]=4 20783 B11R1.99 CCCCCOCCC1CO1 34a_100000210253_100000732470 [1,0,0,1,0,0|1,0,1]=4 20784 B11R1.99 CCCCCOCCC1CO1 7a_100000210253_100000732470 [1,0,0,1,0,0|1,0,1]=4 20785 B11R1.99 CCCCCOCC[C@@H]1CO1 34a_100009820653_100000718602 [1,0,0,1,0,0|1,0,1]=4 20786 B11R1.99 CCCCCSCCC1CC1 62a_100000210326_100000764125 [1,0,0,1,0,0|1,0,1]=4 20787 B11R1.99 CCCCCSCCC1CC1 62a_100000764125_100000210326 [1,0,0,1,0,0|1,0,1]=4 20788 B11R1.99 CCCCCSCCC1CO1 62a_100000210326_100000732470 [1,0,0,1,0,0|1,0,1]=4 20789 B11R1.99 CCCCCSCCC1CO1 62a_100000732470_100000210326 [1,0,0,1,0,0|1,0,1]=4 20790 B11R1.99 CCCCNCCCC1CO1 2230a_100000102301_100000733510 [1,0,0,1,0,0|1,0,1]=4 20791 B11R1.99 CCCCNCCCC1CO1 7a_106832991798_100000733510 [1,0,0,1,0,0|1,0,1]=4 20792 B11R1.99 CCCCOCCCC1CO1 34a_100000210227_100000733510 [1,0,0,1,0,0|1,0,1]=4 20793 B11R1.99 CCCCOCCCC1CO1 7a_100000210227_100000733510 [1,0,0,1,0,0|1,0,1]=4 20794 B11R1.99 CCCCSCCCC1CO1 62a_100000210211_100000733510 [1,0,0,1,0,0|1,0,1]=4 20795 B11R1.99 CCCCSCCCC1CO1 62a_100000733510_100000210210 [1,0,0,1,0,0|1,0,1]=4 20796 B11R1.99 ClCCCCCCOC1CC1 34a_100000766143_100000211595 [1,0,0,1,0,0|2,0,0]=4 20797 B11R1.99 ClCCCCCOCC1CC1 34a_100000746330_100000742324 [1,0,0,1,0,0|2,0,0]=4 20798 B11R1.99 ClCCCCCOCC1CC1 7a_100000746330_100000742324 [1,0,0,1,0,0|2,0,0]=4 20799 B11R1.99 ClCCCCOCCC1CC1 34a_100000210776_100000694398 [1,0,0,1,0,0|2,0,0]=4 20800 B11R1.99 ClCCCCOCCC1CC1 7a_100000210776_100000764125 [1,0,0,1,0,0|2,0,0]=4 20801 B11R1.99 FCCCCCCNC1CC1 34a_100000212008_100015922095 [1,0,0,1,0,0|2,0,0]=4 20802 B11R1.99 FCCCCCCOC1CC1 34a_100000732779_100000211595 [1,0,0,1,0,0|2,0,0]=4 20803 B11R1.99 FCCCCCCSC1CC1 62a_100015922095_100000211595 [1,0,0,1,0,0|2,0,0]=4 20804 B11R1.99 FCCCCCNCC1CC1 2230a_100000735609_100000729378 [1,0,0,1,0,0|2,0,0]=4 20805 B11R1.99 FCCCCCNCC1CC1 34a_100000735609_100000729378 [1,0,0,1,0,0|2,0,0]=4 20806 B11R1.99 FCCCCCOCC1CC1 34a_100000211283_100000729378 [1,0,0,1,0,0|2,0,0]=4 20807 B11R1.99 FCCCCCSCC1CC1 62a_100000729378_100000742324 [1,0,0,1,0,0|2,0,0]=4 20808 B11R1.99 FCCCCCSCC1CC1 62a_100000756562_100000729378 [1,0,0,1,0,0|2,0,0]=4 20809 B11R1.99 FCCCCNCCC1CC1 34a_100000764129_100000729493 [1,0,0,1,0,0|2,0,0]=4 20810 B11R1.99 FCCCCOCCC1CC1 34a_100000754188_100000729493 [1,0,0,1,0,0|2,0,0]=4 20811 B11R1.99 FCCCCOCCC1CC1 34a_100011995726_100000694398 [1,0,0,1,0,0|2,0,0]=4 20812 B11R1.99 FCCCCOCCC1CC1 7a_100000754188_100000729493 [1,0,0,1,0,0|2,0,0]=4 20813 B11R1.99 FCCCCOCCC1CC1 7a_100011995726_100000764125 [1,0,0,1,0,0|2,0,0]=4 20814 B11R1.99 FCCCCSCCC1CC1 62a_100000729493_100000764125 [1,0,0,1,0,0|2,0,0]=4 20815 B11R1.99 FCCCCSCCC1CC1 62a_100000764125_100000729493 [1,0,0,1,0,0|2,0,0]=4 20816 B11R1.99 ICCCCCOCC1CC1 34a_200012148887_100000742324 [1,0,0,1,0,0|2,0,0]=4 20817 B11R1.99 ICCCCCOCC1CC1 7a_200012148887_100000742324 [1,0,0,1,0,0|2,0,0]=4 20818 B11R1.99 ICCCCOCCC1CC1 34a_200012148704_100000694398 [1,0,0,1,0,0|2,0,0]=4 20819 B11R1.99 NCCCCCCOC1CC1 34a_100000686447_100000211595 [1,0,0,1,0,0|2,0,0]=4 20820 B11R1.99 NCCCCCOCC1CC1 34a_100000762737_100000742324 [1,0,0,1,0,0|2,0,0]=4 20821 B11R1.99 NCCCCOCCC1CC1 34a_100000750430_100000694398 [1,0,0,1,0,0|2,0,0]=4 20822 B11R1.99 O=CCCCCCSC1CC1 62a_100000139337_100000211595 [1,0,0,1,0,0|1,0,0]=3 20823 B11R1.99 O=CCCCCNCC1CC1 2230a_100000735609_100000139335 [1,0,0,1,0,0|1,0,0]=3 20824 B11R1.99 O=CCCCCSCC1CC1 62a_100000139335_100000742324 [1,0,0,1,0,0|1,0,0]=3 20825 B11R1.99 O=CCCCCSCC1CC1 62a_100000756562_100000139335 [1,0,0,1,0,0|1,0,0]=3 20826 B11R1.99 O=CCCCCSCC1CO1 62a_100000139335_102125554688 [1,0,0,1,0,0|2,0,0]=4 20827 B11R1.99 O=CCCCCSCC1CO1 62a_102125554688_100000139335 [1,0,0,1,0,0|2,0,0]=4 20828 B11R1.99 O=CCCCCSCC1CS1 62a_100000031435_100000139335 [1,0,0,1,0,0|2,0,0]=4 20829 B11R1.99 O=CCCCCSCC1CS1 62a_100000139335_100000031435 [1,0,0,1,0,0|2,0,0]=4 20830 B11R1.99 O=CCCCCSC[C@@H]1CO1 62a_100000139335_100000745022 [1,0,0,1,0,0|2,0,0]=4 20831 B11R1.99 O=CCCCCSC[C@@H]1CO1 62a_100000745022_100000139335 [1,0,0,1,0,0|2,0,0]=4 20832 B11R1.99 O=CCCCOCCC1CC1 7a_100000754188_200011292268 [1,0,0,1,0,0|1,0,0]=3 20833 B11R1.99 O=CCCCSCCC1CC1 62a_100000764125_200011292268 [1,0,0,1,0,0|1,0,0]=3 20834 B11R1.99 O=CCCCSCCC1CC1 62a_200011292268_100000764125 [1,0,0,1,0,0|1,0,0]=3 20835 B11R1.99 O=CCCCSCCC1CO1 62a_100000732470_200011292268 [1,0,0,1,0,0|2,0,0]=4 20836 B11R1.99 O=CCCCSCCC1CO1 62a_200011292268_100000732470 [1,0,0,1,0,0|2,0,0]=4 20837 B11R1.99 OCCCCCCNC1CC1 34a_100000212008_100000766143 [1,0,0,1,0,0|1,0,1]=4 20838 B11R1.99 OCCCCCCNC1CC1 34a_100000686447_100000211595 [1,0,0,1,0,0|1,0,1]=4 20839 B11R1.99 OCCCCCCSC1CC1 62a_100000766143_100000211595 [1,0,0,1,0,0|1,0,1]=4 20840 B11R1.99 OCCCCCNCC1CC1 2230a_100000735609_100000746330 [1,0,0,1,0,0|1,0,1]=4 20841 B11R1.99 OCCCCCNCC1CC1 2230a_100000762737_100000742324 [1,0,0,1,0,0|1,0,1]=4 20842 B11R1.99 OCCCCCNCC1CC1 269862a_100000762737_100000741477 [1,0,0,1,0,0|1,0,1]=4 20843 B11R1.99 OCCCCCNCC1CC1 34a_100000735609_100000746330 [1,0,0,1,0,0|1,0,1]=4 20844 B11R1.99 OCCCCCNCC1CC1 34a_100000762737_100000742324 [1,0,0,1,0,0|1,0,1]=4 20845 B11R1.99 OCCCCCOCC1CC1 34a_100000211283_100000746330 [1,0,0,1,0,0|1,0,1]=4 20846 B11R1.99 OCCCCCSCC1CC1 62a_100000746330_100000742324 [1,0,0,1,0,0|1,0,1]=4 20847 B11R1.99 OCCCCCSCC1CC1 62a_100000756562_100000746330 [1,0,0,1,0,0|1,0,1]=4 20848 B11R1.99 OCCCCNCCC1CC1 2230a_100000750430_100000694398 [1,0,0,1,0,0|1,0,1]=4 20849 B11R1.99 OCCCCNCCC1CC1 34a_100000750430_100000694398 [1,0,0,1,0,0|1,0,1]=4 20850 B11R1.99 OCCCCNCCC1CC1 34a_100000764129_100011216708 [1,0,0,1,0,0|1,0,1]=4 20851 B11R1.99 OCCCCOCCC1CC1 34a_100000754188_100011216708 [1,0,0,1,0,0|1,0,1]=4 20852 B11R1.99 OCCCCOCCC1CC1 7a_100000754188_100000210776 [1,0,0,1,0,0|1,0,1]=4 20853 B11R1.99 OCCCCSCCC1CC1 62a_100000210776_100000764125 [1,0,0,1,0,0|1,0,1]=4 20854 B11R1.99 OCCCCSCCC1CC1 62a_100000764125_100000210776 [1,0,0,1,0,0|1,0,1]=4 20855 B11R1.109 CCCC1CCCC1NCC 269862a_100015525214_100000723119 [1,0,0,1,0,0|1,0,1]=4 20856 B11R1.109 CCCC1CCCC1NCC 270004a_100015525214_100000723119 [1,0,0,1,0,0|1,0,1]=4 20857 B11R1.109 COC[C@@H]1CCCN1CC=O 2230a_100020646714_200015260668 [1,0,0,1,0,0|2,0,0]=4 20858 B11R1.109 COC[C@@H]1CCCN1CC=O 269982a_100020646714_200015260668 [1,0,0,1,0,0|2,0,0]=4 20859 B11R1.109 COC[C@@H]1CCCN1CC=O 34a_100020646714_200009817547 [1,0,0,1,0,0|2,0,0]=4 20860 B11R1.117 C=CCN1CCCCCCC1 2230a_100000211400_100000210623 [1,0,0,1,0,0|1,0,1]=4 20861 B11R1.117 C=CCN1CCCCCCC1 269982a_100000211400_100000210623 [1,0,0,1,0,0|1,0,1]=4 20862 B11R1.117 C=CCN1CCCCCCC1 34a_100000211400_100015514636 [1,0,0,1,0,0|1,0,1]=4 20863 B11R1.117 CCCN1CCCCCCC1 2230a_100000211400_100000210303 [1,0,0,1,0,0|1,0,1]=4 20864 B11R1.117 CCCN1CCCCCCC1 269982a_100000211400_100000210303 [1,0,0,1,0,0|1,0,1]=4 20865 B11R1.117 CCCN1CCCCCCC1 34a_100000211400_100000210303 [1,0,0,1,0,0|1,0,1]=4 20866 B11R1.117 CCNC1CCCCCCC1 2230a_100000211152_100000210202 [1,0,0,1,0,0|1,0,1]=4 20867 B11R1.117 CCNC1CCCCCCC1 270004a_100015525214_100000210524 [1,0,0,1,0,0|1,0,1]=4 20868 B11R1.117 CCNC1CCCCCCC1 34a_100000211152_100000210202 [1,0,0,1,0,0|1,0,1]=4 20869 B11R1.117 CCOC1C=CCCCCC1 34a_100000688657_100000210202 [1,0,0,1,0,0|1,0,1]=4 20870 B11R1.117 CCOC1CCCCCCC1 34a_100000210054_100000210202 [1,0,0,1,0,0|1,0,1]=4 20871 B11R1.117 CCOC1CCCCCCC1 7a_100000210054_100000210202 [1,0,0,1,0,0|1,0,1]=4 20872 B11R1.117 COCC1CCCCCCC1 34a_100011216312_200000210301 [1,0,0,1,0,0|1,0,1]=4 20873 B11R1.117 COCC1CCCCCCC1 7a_100011216312_200000210301 [1,0,0,1,0,0|1,0,1]=4 20874 B11R1.117 FCCN1CCCCCCC1 2230a_100000211400_100011217306 [1,0,0,1,0,0|2,0,0]=4 20875 B11R1.117 FCCN1CCCCCCC1 269982a_100000211400_100011217306 [1,0,0,1,0,0|2,0,0]=4 20876 B11R1.117 FCCN1CCCCCCC1 34a_100000211400_100011217306 [1,0,0,1,0,0|2,0,0]=4 20877 B11R1.117 FCNC1CCCCCCC1 34a_100000211152_100015361967 [1,0,0,1,0,0|2,0,0]=4 20878 B11R1.117 FCOC1CCCCCCC1 34a_100000210054_100015361967 [1,0,0,1,0,0|2,0,0]=4 20879 B11R1.117 FCOC1CCCCCCC1 7a_100000210054_100015361967 [1,0,0,1,0,0|2,0,0]=4 20880 B11R1.117 O=CCN1CCCCCCC1 2230a_100000211400_200015260668 [1,0,0,1,0,0|1,0,0]=3 20881 B11R1.117 O=CCN1CCCCCCC1 269982a_100000211400_200015260668 [1,0,0,1,0,0|1,0,0]=3 20882 B11R1.117 O=CCN1CCCCCCC1 34a_100000211400_200009817547 [1,0,0,1,0,0|1,0,0]=3 20883 B11R1.117 OCCN1CCCCCCC1 2230a_100000211400_100000211926 [1,0,0,1,0,0|1,0,1]=4 20884 B11R1.117 OCCN1CCCCCCC1 269982a_100000211400_100000211926 [1,0,0,1,0,0|1,0,1]=4 20885 B11R1.117 OCCN1CCCCCCC1 34a_100000211400_100000211926 [1,0,0,1,0,0|1,0,1]=4 20886 B11R1.117 [13CH3]OCC1CCCCCCC1 34a_100011216312_200025704644 [1,0,0,1,0,0|1,0,1]=4 20887 B11R1.117 [13CH3]OCC1CCCCCCC1 7a_100011216312_200025704644 [1,0,0,1,0,0|1,0,1]=4 20888 B11R1.180 C=CCCCN1CCC[C@@H]1C 2230a_100020605311_100011713584 [1,0,0,1,0,0|1,0,1]=4 20889 B11R1.180 C=CCCCN1CCC[C@@H]1C 269982a_100020605311_100000757094 [1,0,0,1,0,0|1,0,1]=4 20890 B11R1.180 C=CCCCN1CCC[C@H]1C 2230a_100015189458_100011713584 [1,0,0,1,0,0|1,0,1]=4 20891 B11R1.180 C=CCCCN1CCC[C@H]1C 269982a_100015189458_100000757094 [1,0,0,1,0,0|1,0,1]=4 20892 B11R1.180 C=CCCCN1CCC[C@H]1C 34a_100015189458_100000757094 [1,0,0,1,0,0|1,0,1]=4 20893 B11R1.180 C=CCCNC1CCCC1C 269862a_100015191253_100000752053 [1,0,0,1,0,0|1,0,1]=4 20894 B11R1.180 C=CCCOC1CCCC1C 34a_100011216460_100000754431 [1,0,0,1,0,0|1,0,1]=4 20895 B11R1.180 C=CCCOC1CCCC1C 7a_100011216460_100000754431 [1,0,0,1,0,0|1,0,1]=4 20896 B11R1.180 CC1CCCC1NCCCF 269862a_100015189416_100000752053 [1,0,0,1,0,0|2,0,0]=4 20897 B11R1.180 CC1CCCC1NCCCO 269862a_100000182051_100000752053 [1,0,0,1,0,0|1,0,1]=4 20898 B11R1.180 CC1CCCC1OCCCF 34a_100011216460_100011934791 [1,0,0,1,0,0|2,0,0]=4 20899 B11R1.180 CC1CCCC1OCCCF 7a_100011216460_100011934791 [1,0,0,1,0,0|2,0,0]=4 20900 B11R1.180 CC1CCCC1OCCCO 34a_100011216460_100000230001 [1,0,0,1,0,0|1,0,1]=4 20901 B11R1.180 CC1CCCC1OCCCO 7a_100011216460_100011215043 [1,0,0,1,0,0|1,0,1]=4 20902 B11R1.180 CC1SCCN1CCCC=O 2230a_200011216479_200011292268 [1,0,0,1,0,0|2,0,0]=4 20903 B11R1.180 CC1SCCN1CCCC=O 269982a_200011216479_200011292268 [1,0,0,1,0,0|2,0,0]=4 20904 B11R1.180 CCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210326 [1,0,0,1,0,0|1,0,1]=4 20905 B11R1.180 CCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210215 [1,0,0,1,0,0|1,0,1]=4 20906 B11R1.180 CCCCCN1CCC[C@H]1C 2230a_100015189458_100000210326 [1,0,0,1,0,0|1,0,1]=4 20907 B11R1.180 CCCCCN1CCC[C@H]1C 269982a_100015189458_100000210215 [1,0,0,1,0,0|1,0,1]=4 20908 B11R1.180 CCCCCN1CCC[C@H]1C 34a_100015189458_100000718602 [1,0,0,1,0,0|1,0,1]=4 20909 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [1,0,0,1,0,0|1,0,0]=3 20910 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [1,0,0,1,0,0|1,0,0]=3 20911 B11R1.180 CCCCNC1CCCC1C 269862a_100000102301_100000752053 [1,0,0,1,0,0|1,0,1]=4 20912 B11R1.180 CCCCNC1CCNC1=O 2230a_100016995588_100000210211 [1,0,0,1,0,0|2,0,0]=4 20913 B11R1.180 CCCCNC1CCNC1=O 34a_100016995588_100000210210 [1,0,0,1,0,0|2,0,0]=4 20914 B11R1.180 CCCCNC1CCOC1=O 2230a_100000102301_100000211211 [1,0,0,1,0,0|2,0,0]=4 20915 B11R1.180 CCCCNC1CCOC1=O 7a_106832991798_100000211211 [1,0,0,1,0,0|2,0,0]=4 20916 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [1,0,0,1,0,0|1,0,0]=3 20917 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [1,0,0,1,0,0|1,0,0]=3 20918 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [1,0,0,1,0,0|1,0,0]=3 20919 B11R1.180 CCCCOC1CCCC1C 34a_100011216460_100000210210 [1,0,0,1,0,0|1,0,1]=4 20920 B11R1.180 CCCCOC1CCCC1C 7a_100011216460_100000210211 [1,0,0,1,0,0|1,0,1]=4 20921 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [1,0,0,1,0,0|2,0,0]=4 20922 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [1,0,0,1,0,0|2,0,0]=4 20923 B11R1.180 CCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210210 [1,0,0,1,0,0|2,0,0]=4 20924 B11R1.180 CCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210210 [1,0,0,1,0,0|2,0,0]=4 20925 B11R1.180 CCCCO[C@H]1CCNC1=O 34a_100000688343_100000210210 [1,0,0,1,0,0|2,0,0]=4 20926 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [1,0,0,1,0,0|1,0,0]=3 20927 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [1,0,0,1,0,0|1,0,0]=3 20928 B11R1.180 CCCCSC1CCOC1=O 62a_100000210211_100000211211 [1,0,0,1,0,0|2,0,0]=4 20929 B11R1.180 CCCCSC1CCOC1=O 62a_100000211211_100000210210 [1,0,0,1,0,0|2,0,0]=4 20930 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_100000210211_200016002552 [1,0,0,1,0,0|1,0,1]=4 20931 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210210 [1,0,0,1,0,0|1,0,1]=4 20932 B11R1.180 CCCOCC1CCNC1=O 34a_100000133458_100000210303 [1,0,0,1,0,0|2,0,0]=4 20933 B11R1.180 CCCSCN1CCCC1=O 62a_100000026320_100000210303 [1,0,0,1,0,0|2,0,0]=4 20934 B11R1.180 CCCSCN1CCCC1=O 62a_100000210303_100000026320 [1,0,0,1,0,0|2,0,0]=4 20935 B11R1.180 CCNCCN1CCCC1=O 2230a_100011200922_100000210202 [1,0,0,1,0,0|2,0,0]=4 20936 B11R1.180 CCNCCN1CCCC1=O 2230a_100015525214_100000739059 [1,0,0,1,0,0|2,0,0]=4 20937 B11R1.180 CCOCCN1CCCC1=O 34a_100000211209_100000210202 [1,0,0,1,0,0|2,0,0]=4 20938 B11R1.180 CCOCCN1CCCC1=O 34a_100121572206_100000739059 [1,0,0,1,0,0|2,0,0]=4 20939 B11R1.180 CCOCCN1CCCC1=O 7a_100000211209_100000210202 [1,0,0,1,0,0|2,0,0]=4 20940 B11R1.180 CCOCSC1CCCC1=O 62a_100000211823_100000739092 [1,0,0,1,0,0|2,0,0]=4 20941 B11R1.180 CCOCSC1CCCC1=O 62a_100000739092_100000211823 [1,0,0,1,0,0|2,0,0]=4 20942 B11R1.180 CCSCCN1CCCC1=O 62a_100000210202_100000739059 [1,0,0,1,0,0|2,0,0]=4 20943 B11R1.180 CCSCCN1CCCC1=O 62a_100000739059_100000210202 [1,0,0,1,0,0|2,0,0]=4 20944 B11R1.180 CN1CCCC1COCC=O 34a_100000743107_200009817547 [1,0,0,1,0,0|2,0,0]=4 20945 B11R1.180 CNCCCN1CCCC1=O 2230a_100000210347_200000210301 [1,0,0,1,0,0|2,0,0]=4 20946 B11R1.180 CNCCCN1CCCC1=O 34a_100000210347_200000210301 [1,0,0,1,0,0|2,0,0]=4 20947 B11R1.180 COCCCN1CCCC1=O 34a_100011216539_200000210301 [1,0,0,1,0,0|2,0,0]=4 20948 B11R1.180 COCCCN1CCCC1=O 7a_100011216539_200000210301 [1,0,0,1,0,0|2,0,0]=4 20949 B11R1.180 COCCNC1CCCC1=O 2230a_100000209980_100000211823 [1,0,0,1,0,0|2,0,0]=4 20950 B11R1.180 COCCOC1CCCC1=O 34a_100000210237_100000709159 [1,0,0,1,0,0|2,0,0]=4 20951 B11R1.180 COCCOC1CCCC1=O 34a_200000719330_100011201679 [1,0,0,1,0,0|2,0,0]=4 20952 B11R1.180 COCCSC1CCCC1=O 62a_100000211823_100000233755 [1,0,0,1,0,0|2,0,0]=4 20953 B11R1.180 COCCSC1CCCC1=O 62a_100000233755_100000211823 [1,0,0,1,0,0|2,0,0]=4 20954 B11R1.180 CSCCNC1CCCC1=O 2230a_100020590264_100000211823 [1,0,0,1,0,0|2,0,0]=4 20955 B11R1.180 CSCCOC1CCCC1=O 34a_100000230434_100000709159 [1,0,0,1,0,0|2,0,0]=4 20956 B11R1.180 CSCCOC1CCCC1=O 34a_200000719330_100000212216 [1,0,0,1,0,0|2,0,0]=4 20957 B11R1.180 CSCCOC1CCCC1=O 7a_100000230434_100000211823 [1,0,0,1,0,0|2,0,0]=4 20958 B11R1.180 CSCCSC1CCCC1=O 62a_100000211823_100000751147 [1,0,0,1,0,0|2,0,0]=4 20959 B11R1.180 CSCCSC1CCCC1=O 62a_100000212216_100000211823 [1,0,0,1,0,0|2,0,0]=4 20960 B11R1.180 C[C@@H]1CCCN1CCCC=O 2230a_100015189458_200011292268 [1,0,0,1,0,0|1,0,0]=3 20961 B11R1.180 C[C@@H]1CCCN1CCCC=O 269982a_100015189458_200011292268 [1,0,0,1,0,0|1,0,0]=3 20962 B11R1.180 C[C@@H]1CCCN1CCCCF 2230a_100015189458_100000729493 [1,0,0,1,0,0|2,0,0]=4 20963 B11R1.180 C[C@@H]1CCCN1CCCCF 269982a_100015189458_100000729493 [1,0,0,1,0,0|2,0,0]=4 20964 B11R1.180 C[C@@H]1CCCN1CCCCF 34a_100015189458_100000729493 [1,0,0,1,0,0|2,0,0]=4 20965 B11R1.180 C[C@@H]1CCCN1CCCCO 2230a_100015189458_100000210776 [1,0,0,1,0,0|1,0,1]=4 20966 B11R1.180 C[C@@H]1CCCN1CCCCO 269982a_100015189458_100000210776 [1,0,0,1,0,0|1,0,1]=4 20967 B11R1.180 C[C@@H]1CCCN1CCCCO 34a_100015189458_100011216708 [1,0,0,1,0,0|1,0,1]=4 20968 B11R1.180 C[C@H]1CCCN1CCCC=O 2230a_100020605311_200011292268 [1,0,0,1,0,0|1,0,0]=3 20969 B11R1.180 C[C@H]1CCCN1CCCC=O 269982a_100020605311_200011292268 [1,0,0,1,0,0|1,0,0]=3 20970 B11R1.180 C[C@H]1CCCN1CCCCF 2230a_100020605311_100000729493 [1,0,0,1,0,0|2,0,0]=4 20971 B11R1.180 C[C@H]1CCCN1CCCCF 269982a_100020605311_100000729493 [1,0,0,1,0,0|2,0,0]=4 20972 B11R1.180 C[C@H]1CCCN1CCCCO 2230a_100020605311_100000210776 [1,0,0,1,0,0|1,0,1]=4 20973 B11R1.180 C[C@H]1CCCN1CCCCO 269982a_100020605311_100000210776 [1,0,0,1,0,0|1,0,1]=4 20974 B11R1.180 NCCCOC1CCCC1=O 34a_100000182051_100000709159 [1,0,0,1,0,0|2,0,0]=4 20975 B11R1.180 O=C1CCCC1NCCCF 2230a_100015189416_100000211823 [1,0,0,1,0,0|2,0,0]=4 20976 B11R1.180 O=C1CCCC1NCCCF 34a_100015189416_100000709159 [1,0,0,1,0,0|2,0,0]=4 20977 B11R1.180 O=C1CCCC1OCCCBr 34a_100011217188_100000709159 [1,0,0,1,0,0|2,0,0]=4 20978 B11R1.180 O=C1CCCC1OCCCCl 34a_100000230001_100000709159 [1,0,0,1,0,0|2,0,0]=4 20979 B11R1.180 O=C1CCCC1OCCCF 34a_100000759539_100000709159 [1,0,0,1,0,0|2,0,0]=4 20980 B11R1.180 O=C1CCCC1OCCCF 34a_200000719330_100011934791 [1,0,0,1,0,0|2,0,0]=4 20981 B11R1.180 O=C1CCCC1OCCCO 34a_200000719330_100000230001 [1,0,0,1,0,0|2,0,0]=4 20982 B11R1.180 O=C1CCCC1SCCCF 62a_100000211823_100011934791 [1,0,0,1,0,0|2,0,0]=4 20983 B11R1.180 O=C1CCCC1SCCCF 62a_100011934791_100000211823 [1,0,0,1,0,0|2,0,0]=4 20984 B11R1.180 O=C1CCCC1SCCCO 62a_100000211823_100011215043 [1,0,0,1,0,0|2,0,0]=4 20985 B11R1.180 O=C1CCCC1SCCCO 62a_100011215043_100000211823 [1,0,0,1,0,0|2,0,0]=4 20986 B11R1.180 [13CH3]NCCCN1CCCC1=O 2230a_100000210347_200025704644 [1,0,0,1,0,0|2,0,0]=4 20987 B11R1.180 [13CH3]NCCCN1CCCC1=O 34a_100000210347_200025704644 [1,0,0,1,0,0|2,0,0]=4 20988 B11R1.180 [13CH3]OCCCN1CCCC1=O 34a_100011216539_200025704644 [1,0,0,1,0,0|2,0,0]=4 20989 B11R1.180 [13CH3]OCCCN1CCCC1=O 7a_100011216539_200025704644 [1,0,0,1,0,0|2,0,0]=4 20990 B11R1.190 C=CCCCCN1CCC1C 269982a_100000755817_100011215482 [1,0,0,1,0,0|1,0,1]=4 20991 B11R1.190 C=CCCCCN1CCC1C 34a_100000755817_100011215482 [1,0,0,1,0,0|1,0,1]=4 20992 B11R1.190 CC1CCN1CCCCC=O 269982a_100000755817_100000139335 [1,0,0,1,0,0|1,0,0]=3 20993 B11R1.190 CC1CCN1CCCCCF 269982a_100000755817_100000729378 [1,0,0,1,0,0|2,0,0]=4 20994 B11R1.190 CC1CCN1CCCCCF 34a_100000755817_100000729378 [1,0,0,1,0,0|2,0,0]=4 20995 B11R1.190 CC1CCN1CCCCCO 269982a_100000755817_100000746330 [1,0,0,1,0,0|1,0,1]=4 20996 B11R1.190 CC1CCN1CCCCCO 34a_100000755817_100000746330 [1,0,0,1,0,0|1,0,1]=4 20997 B11R1.190 CCCCCCN1CCC1C 269982a_100000755817_100000210757 [1,0,0,1,0,0|1,0,1]=4 20998 B11R1.190 CCCCCCN1CCC1C 34a_100000755817_100000210314 [1,0,0,1,0,0|1,0,1]=4 20999 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [1,0,0,1,0,0|1,0,0]=3 21000 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [1,0,0,1,0,0|1,0,0]=3 21001 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [1,0,0,1,0,0|1,0,0]=3 21002 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [1,0,0,1,0,0|1,0,0]=3 21003 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [1,0,0,1,0,0|1,0,0]=3 21004 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [1,0,0,1,0,0|1,0,0]=3 21005 B11R1.190 CCOCCNC1CCC1=O 34a_102516460346_100009892977 [1,0,0,1,0,0|2,0,0]=4 21006 B11R1.190 CCOCCOC1CCC1=O 34a_100000210136_100009892977 [1,0,0,1,0,0|2,0,0]=4 21007 B11R1.190 CCOCCOC1CCC1=O 7a_100000210136_100009892977 [1,0,0,1,0,0|2,0,0]=4 21008 B11R1.190 CCOCCSC1CCC1=O 62a_100000210147_100009892977 [1,0,0,1,0,0|2,0,0]=4 21009 B11R1.190 CCOCCSC1CCC1=O 62a_100009892977_100011215890 [1,0,0,1,0,0|2,0,0]=4 21010 B11R1.190 CCSCCOC1CCC1=O 34a_100000212035_100009892977 [1,0,0,1,0,0|2,0,0]=4 21011 B11R1.190 CCSCCOC1CCC1=O 7a_100000212035_100009892977 [1,0,0,1,0,0|2,0,0]=4 21012 B11R1.190 CCSCCSC1CCC1=O 62a_100000757381_100009892977 [1,0,0,1,0,0|2,0,0]=4 21013 B11R1.190 CCSCCSC1CCC1=O 62a_100009892977_100000757381 [1,0,0,1,0,0|2,0,0]=4 21014 B11R1.190 CNCCCOC1CCC1=O 34a_100000213112_100009892977 [1,0,0,1,0,0|2,0,0]=4 21015 B11R1.190 COCCCNC1CCC1=O 34a_100150723488_100009892977 [1,0,0,1,0,0|2,0,0]=4 21016 B11R1.190 COCCCOC1CCC1=O 34a_100000740835_100009892977 [1,0,0,1,0,0|2,0,0]=4 21017 B11R1.190 COCCCSC1CCC1=O 62a_100000709357_100009892977 [1,0,0,1,0,0|2,0,0]=4 21018 B11R1.190 COCCCSC1CCC1=O 62a_100009892977_100000709357 [1,0,0,1,0,0|2,0,0]=4 21019 B11R1.190 COCSCCC1CCC1=O 62a_100000766300_200016118888 [1,0,0,1,0,0|2,0,0]=4 21020 B11R1.190 COCSCCC1CCC1=O 62a_200016118888_100000766300 [1,0,0,1,0,0|2,0,0]=4 21021 B11R1.190 CSCCCOC1CCC1=O 34a_100000690336_100009892977 [1,0,0,1,0,0|2,0,0]=4 21022 B11R1.190 CSCCCOC1CCC1=O 7a_100000690336_100009892977 [1,0,0,1,0,0|2,0,0]=4 21023 B11R1.190 CSCSCCC1CCC1=O 62a_100011218213_200016118888 [1,0,0,1,0,0|2,0,0]=4 21024 B11R1.190 CSCSCCC1CCC1=O 62a_200016118888_100011218213 [1,0,0,1,0,0|2,0,0]=4 21025 B11R1.190 NCCCCOC1CCC1=O 34a_100000750430_100009892977 [1,0,0,1,0,0|2,0,0]=4 21026 B11R1.190 O=C1CCC1CCNCCO 2230a_100016997473_200016118888 [1,0,0,1,0,0|2,0,0]=4 21027 B11R1.190 O=C1CCC1CCSCCF 62a_100011217306_200016118888 [1,0,0,1,0,0|2,0,0]=4 21028 B11R1.190 O=C1CCC1CCSCCF 62a_200016118888_100011217306 [1,0,0,1,0,0|2,0,0]=4 21029 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [1,0,0,1,0,0|2,0,0]=4 21030 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [1,0,0,1,0,0|2,0,0]=4 21031 B11R1.190 O=C1CCC1NCCCCO 34a_100000750430_100009892977 [1,0,0,1,0,0|2,0,0]=4 21032 B11R1.190 O=C1CCC1OCCCCBr 34a_100011216708_100009892977 [1,0,0,1,0,0|2,0,0]=4 21033 B11R1.190 O=C1CCC1OCCCCCl 34a_100000210776_100009892977 [1,0,0,1,0,0|2,0,0]=4 21034 B11R1.190 O=C1CCC1OCCCCCl 7a_100000210776_100009892977 [1,0,0,1,0,0|2,0,0]=4 21035 B11R1.190 O=C1CCC1OCCCCF 34a_100011995726_100009892977 [1,0,0,1,0,0|2,0,0]=4 21036 B11R1.190 O=C1CCC1OCCCCF 7a_100011995726_100009892977 [1,0,0,1,0,0|2,0,0]=4 21037 B11R1.190 O=C1CCC1OCCCCI 34a_200012148704_100009892977 [1,0,0,1,0,0|2,0,0]=4 21038 B11R1.190 O=C1CCC1SCCCCF 62a_100000729493_100009892977 [1,0,0,1,0,0|2,0,0]=4 21039 B11R1.190 O=C1CCC1SCCCCF 62a_100009892977_100000729493 [1,0,0,1,0,0|2,0,0]=4 21040 B11R1.190 O=C1CCC1SCCCCO 62a_100000210776_100009892977 [1,0,0,1,0,0|2,0,0]=4 21041 B11R1.190 O=C1CCC1SCCCCO 62a_100009892977_100000210776 [1,0,0,1,0,0|2,0,0]=4 21042 B11R1.203 BrCCOC1CCCCCC1 34a_100000211926_100011217769 [1,0,0,1,0,0|2,0,0]=4 21043 B11R1.203 C=CCCN1CCCCCC1 2230a_100000185865_100000754431 [1,0,0,1,0,0|1,0,1]=4 21044 B11R1.203 C=CCCN1CCCCCC1 269982a_100000185865_100000754431 [1,0,0,1,0,0|1,0,1]=4 21045 B11R1.203 C=CCCN1CCCCCC1 34a_100000185865_100000754431 [1,0,0,1,0,0|1,0,1]=4 21046 B11R1.203 C=CCNC1CCCCCC1 2230a_100000210984_100000210623 [1,0,0,1,0,0|1,0,1]=4 21047 B11R1.203 C=CCNC1CCCCCC1 270004a_100020586998_100000210131 [1,0,0,1,0,0|1,0,1]=4 21048 B11R1.203 C=CCNC1CCCCCC1 34a_100000210984_100015514636 [1,0,0,1,0,0|1,0,1]=4 21049 B11R1.203 C=CCOC1CCCCCC1 34a_100000210887_100015514636 [1,0,0,1,0,0|1,0,1]=4 21050 B11R1.203 C=CCOC1CCCCCC1 34a_200000210373_100011217769 [1,0,0,1,0,0|1,0,1]=4 21051 B11R1.203 C=CCOC1CCCCCC1 7a_100000210887_100015514636 [1,0,0,1,0,0|1,0,1]=4 21052 B11R1.203 C=CCSC1CCCCCC1 62a_100000210623_100011217769 [1,0,0,1,0,0|1,0,1]=4 21053 B11R1.203 C=CCSC1CCCCCC1 62a_100011217769_100000210623 [1,0,0,1,0,0|1,0,1]=4 21054 B11R1.203 CCCCN1CCCCCC1 2230a_100000185865_100000210211 [1,0,0,1,0,0|1,0,1]=4 21055 B11R1.203 CCCCN1CCCCCC1 269982a_100000185865_100000210211 [1,0,0,1,0,0|1,0,1]=4 21056 B11R1.203 CCCCN1CCCCCC1 34a_100000185865_100000210210 [1,0,0,1,0,0|1,0,1]=4 21057 B11R1.203 CCCNC1CCCCCC1 2230a_100000210984_100000210303 [1,0,0,1,0,0|1,0,1]=4 21058 B11R1.203 CCCNC1CCCCCC1 270004a_100020643023_100000210131 [1,0,0,1,0,0|1,0,1]=4 21059 B11R1.203 CCCNC1CCCCCC1 34a_100000210984_100000210303 [1,0,0,1,0,0|1,0,1]=4 21060 B11R1.203 CCCOC1CCCCCC1 34a_100000210258_100011217769 [1,0,0,1,0,0|1,0,1]=4 21061 B11R1.203 CCCOC1CCCCCC1 34a_100000210887_100000210303 [1,0,0,1,0,0|1,0,1]=4 21062 B11R1.203 CCCOC1CCCCCC1 7a_100000210887_100000210303 [1,0,0,1,0,0|1,0,1]=4 21063 B11R1.203 CCCSC1CCCCCC1 62a_100000210303_100011217769 [1,0,0,1,0,0|1,0,1]=4 21064 B11R1.203 CCCSC1CCCCCC1 62a_100011217769_100000210303 [1,0,0,1,0,0|1,0,1]=4 21065 B11R1.203 CCNCC1CCCCCC1 2230a_100015204231_100000210202 [1,0,0,1,0,0|1,0,1]=4 21066 B11R1.203 CCNCC1CCCCCC1 2230a_100015525214_200000696569 [1,0,0,1,0,0|1,0,1]=4 21067 B11R1.203 CCNCC1CCCCCC1 269862a_100015525214_200000763224 [1,0,0,1,0,0|1,0,1]=4 21068 B11R1.203 CCNCC1CCCCCC1 34a_100015204231_100000210202 [1,0,0,1,0,0|1,0,1]=4 21069 B11R1.203 CCOCC1CCCCCC1 34a_100000699130_100000210202 [1,0,0,1,0,0|1,0,1]=4 21070 B11R1.203 CCOCC1CCCCCC1 34a_100121572206_200000696569 [1,0,0,1,0,0|1,0,1]=4 21071 B11R1.203 CCOCC1CCCCCC1 7a_100000699130_100000210202 [1,0,0,1,0,0|1,0,1]=4 21072 B11R1.203 CCSCC1CCCCCC1 62a_100000210202_200000696569 [1,0,0,1,0,0|1,0,1]=4 21073 B11R1.203 CCSCC1CCCCCC1 62a_200000696569_100000210202 [1,0,0,1,0,0|1,0,1]=4 21074 B11R1.203 CNCCC1CCCCCC1 2230a_100011532351_200000210301 [1,0,0,1,0,0|1,0,1]=4 21075 B11R1.203 CNCCC1CCCCCC1 34a_100011532351_200000210301 [1,0,0,1,0,0|1,0,1]=4 21076 B11R1.203 FCCCN1CCCCCC1 2230a_100000185865_100011934791 [1,0,0,1,0,0|2,0,0]=4 21077 B11R1.203 FCCCN1CCCCCC1 269982a_100000185865_100011934791 [1,0,0,1,0,0|2,0,0]=4 21078 B11R1.203 FCCCN1CCCCCC1 34a_100000185865_100011934791 [1,0,0,1,0,0|2,0,0]=4 21079 B11R1.203 FCCNC1CCCCCC1 2230a_100000210984_100011217306 [1,0,0,1,0,0|2,0,0]=4 21080 B11R1.203 FCCNC1CCCCCC1 34a_100000210984_100011217306 [1,0,0,1,0,0|2,0,0]=4 21081 B11R1.203 FCCNC1CCCCCC1 34a_100000724931_100011217769 [1,0,0,1,0,0|2,0,0]=4 21082 B11R1.203 FCCOC1CCCCCC1 34a_100000210887_100011217306 [1,0,0,1,0,0|2,0,0]=4 21083 B11R1.203 FCCOC1CCCCCC1 7a_100000210887_100011217306 [1,0,0,1,0,0|2,0,0]=4 21084 B11R1.203 FCCSC1CCCCCC1 62a_100011217306_100011217769 [1,0,0,1,0,0|2,0,0]=4 21085 B11R1.203 FCCSC1CCCCCC1 62a_100011217769_100011217306 [1,0,0,1,0,0|2,0,0]=4 21086 B11R1.203 FCNCC1CCCCCC1 34a_100015204231_100015361967 [1,0,0,1,0,0|2,0,0]=4 21087 B11R1.203 FCOCC1CCCCCC1 34a_100000699130_100015361967 [1,0,0,1,0,0|2,0,0]=4 21088 B11R1.203 FCOCC1CCCCCC1 7a_100000699130_100015361967 [1,0,0,1,0,0|2,0,0]=4 21089 B11R1.203 FCSCC1CCCCCC1 62a_100015361967_200000696569 [1,0,0,1,0,0|2,0,0]=4 21090 B11R1.203 FCSCC1CCCCCC1 62a_200000696569_100015361967 [1,0,0,1,0,0|2,0,0]=4 21091 B11R1.203 NCCOC1CCCCCC1 34a_100000210304_100011217769 [1,0,0,1,0,0|2,0,0]=4 21092 B11R1.203 O=CCNC1CCCCCC1 2230a_100000210984_200015260668 [1,0,0,1,0,0|1,0,0]=3 21093 B11R1.203 O=CCNC1CCCCCC1 34a_100000210984_200009817547 [1,0,0,1,0,0|1,0,0]=3 21094 B11R1.203 O=CCOC1CCCCCC1 34a_100000210887_200009817547 [1,0,0,1,0,0|1,0,0]=3 21095 B11R1.203 O=CCOC1CCCCCC1 7a_100000210887_200015260668 [1,0,0,1,0,0|1,0,0]=3 21096 B11R1.203 O=CCSC1CCCCCC1 62a_100011217769_200015260668 [1,0,0,1,0,0|1,0,0]=3 21097 B11R1.203 O=CCSC1CCCCCC1 62a_200015260668_100011217769 [1,0,0,1,0,0|1,0,0]=3 21098 B11R1.203 OCCCN1CCCCCC1 2230a_100000185865_100000230001 [1,0,0,1,0,0|1,0,1]=4 21099 B11R1.203 OCCCN1CCCCCC1 269982a_100000185865_100011215043 [1,0,0,1,0,0|1,0,1]=4 21100 B11R1.203 OCCCN1CCCCCC1 34a_100000185865_100000230001 [1,0,0,1,0,0|1,0,1]=4 21101 B11R1.203 OCCNC1CCCCCC1 2230a_100000210984_100000211926 [1,0,0,1,0,0|1,0,1]=4 21102 B11R1.203 OCCNC1CCCCCC1 270004a_100000210304_100000210131 [1,0,0,1,0,0|1,0,1]=4 21103 B11R1.203 OCCNC1CCCCCC1 34a_100000210984_100000211926 [1,0,0,1,0,0|1,0,1]=4 21104 B11R1.203 OCCNC1CCCCCC1 34a_100016990907_100011217769 [1,0,0,1,0,0|1,0,1]=4 21105 B11R1.203 OCCOC1CCCCCC1 34a_100000210887_100000211926 [1,0,0,1,0,0|1,0,1]=4 21106 B11R1.203 OCCOC1CCCCCC1 7a_100000210887_100000211926 [1,0,0,1,0,0|1,0,1]=4 21107 B11R1.203 OCCSC1CCCCCC1 62a_100000211926_100011217769 [1,0,0,1,0,0|1,0,1]=4 21108 B11R1.203 OCCSC1CCCCCC1 62a_100011217769_100000211926 [1,0,0,1,0,0|1,0,1]=4 21109 B11R1.203 [13CH3]NCCC1CCCCCC1 2230a_100011532351_200025704644 [1,0,0,1,0,0|1,0,1]=4 21110 B11R1.203 [13CH3]NCCC1CCCCCC1 34a_100011532351_200025704644 [1,0,0,1,0,0|1,0,1]=4 21111 B11R1.248 CCN1CCCCCCCC1 2230a_100000039187_100000210202 [1,0,0,1,0,0|1,0,1]=4 21112 B11R1.248 CCN1CCCCCCCC1 269982a_100000039187_100000204670 [1,0,0,1,0,0|1,0,1]=4 21113 B11R1.248 CCN1CCCCCCCC1 34a_100000039187_100000210202 [1,0,0,1,0,0|1,0,1]=4 21114 B11R1.248 CNC1CCCCCCCC1 270004a_106832991635_100000038600 [1,0,0,1,0,0|1,0,1]=4 21115 B11R1.248 FCN1CCCCCCCC1 269982a_100000039187_100015361967 [1,0,0,1,0,0|2,0,0]=4 21116 B11R1.248 FCN1CCCCCCCC1 34a_100000039187_100015361967 [1,0,0,1,0,0|2,0,0]=4 21117 B13R1.6 C=CCCCCN1CCCC(C1)F 2230a_100000697950_100011215482 [0,1,0,1,0,0|2,0,0]=4 21118 B13R1.6 C=CCCCCN1CCCC(C1)F 269982a_100000697950_100011215482 [0,1,0,1,0,0|2,0,0]=4 21119 B13R1.6 C=CCCCCN1CCCC(C1)F 34a_100000697950_100011215482 [0,1,0,1,0,0|2,0,0]=4 21120 B13R1.6 C=CCCCCN1CCCC(C1)O 2230a_100000211013_100011215482 [0,1,0,1,0,0|2,0,0]=4 21121 B13R1.6 C=CCCCCN1CCCC(C1)O 269982a_100000211013_100011215482 [0,1,0,1,0,0|2,0,0]=4 21122 B13R1.6 C=CCCCCN1CCC[C@@H](C1)C 2230a_100000717927_100011215482 [0,1,0,1,0,0|2,0,0]=4 21123 B13R1.6 C=CCCCCN1CCC[C@@H](C1)C 269982a_100000717927_100011215482 [0,1,0,1,0,0|2,0,0]=4 21124 B13R1.6 C=CCCCCN1CCC[C@@H](C1)C 34a_100000717927_100011215482 [0,1,0,1,0,0|2,0,0]=4 21125 B13R1.6 C=CCCCNC1CCCC(C1)C 2230a_100011194320_100011713584 [0,1,0,1,0,0|2,0,0]=4 21126 B13R1.6 C=CCCCNC1CCCC(C1)C 270004a_100000700776_100000183594 [0,1,0,1,0,0|2,0,0]=4 21127 B13R1.6 C=CCCCNC1CCCC(C1)C 34a_100011194320_100000757094 [0,1,0,1,0,0|2,0,0]=4 21128 B13R1.6 C=CCCCNC1CCCC(C1)O 2230a_100015190357_100011713584 [0,1,0,1,0,0|2,0,0]=4 21129 B13R1.6 C=CCCCNC1CCCC(C1)O 270004a_100000700776_100012613340 [0,1,0,1,0,0|2,0,0]=4 21130 B13R1.6 C=CCCCOC1CCCC(C1)C 34a_100000211399_100000757094 [0,1,0,1,0,0|2,0,0]=4 21131 B13R1.6 C=CCCNCC1CCCC(C1)O 2230a_100011254705_100000754431 [0,1,0,1,0,0|2,0,0]=4 21132 B13R1.6 CC1CC(CCO1)OCCCC=O 7a_100011986385_200011292268 [0,1,0,1,0,0|2,0,0]=4 21133 B13R1.6 CC1CCCC(C1)NCCCC=O 2230a_100011194320_200011292268 [0,1,0,1,0,0|1,0,0]=3 21134 B13R1.6 CC1CCCN(C1)CCNCC=O 2230a_100000739826_200015260668 [0,1,0,1,0,0|2,0,0]=4 21135 B13R1.6 CC1CCCN(C1)CCSCC=O 62a_200015260668_100000766211 [0,1,0,1,0,0|2,0,0]=4 21136 B13R1.6 CC1CN(CCO1)CCCCC=O 2230a_100000729577_100000139335 [0,1,0,1,0,0|2,0,0]=4 21137 B13R1.6 CC1CN(CCO1)CCCCC=O 269982a_100000729577_100000139335 [0,1,0,1,0,0|2,0,0]=4 21138 B13R1.6 CCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210314 [0,1,0,1,0,0|2,0,0]=4 21139 B13R1.6 CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210314 [0,1,0,1,0,0|2,0,0]=4 21140 B13R1.6 CCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210326 [0,1,0,1,0,0|2,0,0]=4 21141 B13R1.6 CCCCCNC1CCNC(=O)C1 34a_100016994916_100000718602 [0,1,0,1,0,0|2,0,0]=4 21142 B13R1.6 CCCCCOC1C=C(CCC1)C 34a_100011218613_100000718602 [0,1,0,1,0,0|2,0,0]=4 21143 B13R1.6 CCCCCOC1CCCC(=O)C1 34a_100012613340_100000718602 [0,1,0,1,0,0|1,0,0]=3 21144 B13R1.6 CCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000718602 [0,1,0,1,0,0|2,0,0]=4 21145 B13R1.6 CCCCOCC1CCCC(=O)N1 34a_200000102386_100000210210 [0,1,0,1,0,0|1,0,0]=3 21146 B13R1.6 CCCCOCC1CCNC(=O)C1 34a_100009886756_100000210210 [0,1,0,1,0,0|2,0,0]=4 21147 B13R1.6 CCCCOCC1COCC(=O)N1 34a_200000101122_100000210210 [0,1,0,1,0,0|2,0,0]=4 21148 B13R1.6 CCOCCOC1CCCC(=O)C1 34a_100012613340_100000210147 [0,1,0,1,0,0|2,0,0]=4 21149 B13R1.6 CCSCCOC1CCCC(=O)C1 34a_100012613340_100000757381 [0,1,0,1,0,0|2,0,0]=4 21150 B13R1.6 COCCCOC1CCCC(=O)C1 34a_100012613340_100000740836 [0,1,0,1,0,0|2,0,0]=4 21151 B13R1.6 COCCOCC1CCCC(=O)N1 34a_200000102386_100011201679 [0,1,0,1,0,0|2,0,0]=4 21152 B13R1.6 CSCCOCC1CCCC(=O)N1 34a_200000102386_100000212216 [0,1,0,1,0,0|2,0,0]=4 21153 B13R1.6 C[C@H]1CCCN(C1)CCCCC=O 2230a_100000717927_100000139335 [0,1,0,1,0,0|1,0,0]=3 21154 B13R1.6 C[C@H]1CCCN(C1)CCCCC=O 269982a_100000717927_100000139335 [0,1,0,1,0,0|1,0,0]=3 21155 B13R1.6 O=C1CCCC(C1)OCCCCF 34a_100012613340_100000729493 [0,1,0,1,0,0|2,0,0]=4 21156 B13R1.6 O=C1CCCC(C1)OCCCCO 34a_100012613340_100011216708 [0,1,0,1,0,0|2,0,0]=4 21157 B13R1.6 O=C1CCCC(N1)COCCCF 34a_200000102386_100011934791 [0,1,0,1,0,0|2,0,0]=4 21158 B13R1.6 O=C1CCCC(N1)COCCCO 34a_200000102386_100000230001 [0,1,0,1,0,0|2,0,0]=4 21159 B13R1.6 O=CCCCCN1CCCC(C1)F 2230a_100000697950_100000139335 [0,1,0,1,0,0|1,0,0]=3 21160 B13R1.6 O=CCCCCN1CCCC(C1)F 269982a_100000697950_100000139335 [0,1,0,1,0,0|1,0,0]=3 21161 B13R1.6 O=CCCCCN1CCCC(C1)O 2230a_100000211013_100000139335 [0,1,0,1,0,0|1,0,0]=3 21162 B13R1.6 O=CCCCCN1CCCC(C1)O 269982a_100000211013_100000139335 [0,1,0,1,0,0|1,0,0]=3 21163 B13R1.6 O=CCCCCN1CCOC(C1)O 2230a_100000688207_100000139335 [0,1,0,1,0,0|2,0,0]=4 21164 B13R1.6 O=CCCCCN1CCOC(C1)O 269982a_100000688207_100000139335 [0,1,0,1,0,0|2,0,0]=4 21165 B13R1.6 O=CCCCNC1CCCC(C1)O 2230a_100015190357_200011292268 [0,1,0,1,0,0|1,0,0]=3 21166 B13R1.42 C=CCC(=O)CCC1CCCCC1 1458a_100000210193_100011273959 [0,1,0,1,0,0|1,0,1]=4 21167 B13R1.42 C=CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210623 [0,1,0,1,0,0|1,0,1]=4 21168 B13R1.42 C=CCC(C)COC1CCCCC1 34a_100009832082_100000210327 [0,1,0,1,0,0|2,0,0]=4 21169 B13R1.42 C=CCC(C)COC1CCCCC1 7a_100009832082_100000210327 [0,1,0,1,0,0|2,0,0]=4 21170 B13R1.42 C=CCN(C)CCC1CCCCC1 2230a_100000225617_100012355289 [0,1,0,1,0,0|2,0,0]=4 21171 B13R1.42 C=CCN(C)CCC1CCCCC1 269982a_100000225617_100011273959 [0,1,0,1,0,0|2,0,0]=4 21172 B13R1.42 C=CCN(C)CCC1CCCCC1 270004a_100000225617_100011713444 [0,1,0,1,0,0|2,0,0]=4 21173 B13R1.42 C=CC[C@@H](C)OCC1CCCCC1 34a_100000731007_100000211423 [0,1,0,1,0,0|2,0,0]=4 21174 B13R1.42 C=CC[C@@H](C)OCC1CCCCC1 7a_100000731007_100000211423 [0,1,0,1,0,0|2,0,0]=4 21175 B13R1.42 C=CC[C@@H](N)COC1CCCCC1 34a_100020615467_100000210327 [0,1,0,1,0,0|2,0,0]=4 21176 B13R1.42 CCCC(C)COC1C=CCCC1 34a_100011215024_100011216630 [0,1,0,1,0,0|2,0,0]=4 21177 B13R1.42 CCCC(C)COC1C=CCCC1 7a_100000688023_100000751183 [0,1,0,1,0,0|2,0,0]=4 21178 B13R1.42 CCCC(C)CSC1C=CCCC1 62a_100000751183_100011216630 [0,1,0,1,0,0|2,0,0]=4 21179 B13R1.42 CCCC(C)CSC1C=CCCC1 62a_100011216630_100000751183 [0,1,0,1,0,0|2,0,0]=4 21180 B13R1.42 CN(CC=O)CCC1CCCCO1 2230a_100015183322_200015260668 [0,1,0,1,0,0|2,0,0]=4 21181 B13R1.42 CN(CC=O)CCC1CCCCO1 269982a_100015183322_200015260668 [0,1,0,1,0,0|2,0,0]=4 21182 B13R1.42 CN(CC=O)CCC1CCCCO1 34a_100015183322_200009817547 [0,1,0,1,0,0|2,0,0]=4 21183 B13R1.119 BrCCCCCCOC1CCCC1 34a_100011215345_100000179811 [0,1,0,1,0,0|1,0,1]=4 21184 B13R1.119 BrCCCCCCOC1CCCC1 7a_100011215345_100000179811 [0,1,0,1,0,0|1,0,1]=4 21185 B13R1.119 BrCCCCCOCC1CCCC1 34a_100000746331_100000740388 [0,1,0,1,0,0|1,0,1]=4 21186 B13R1.119 BrCCCCCOCC1CCCC1 7a_100000746331_100000740388 [0,1,0,1,0,0|1,0,1]=4 21187 B13R1.119 BrCCCCOCCC1CCCC1 34a_100011216708_100000760354 [0,1,0,1,0,0|1,0,1]=4 21188 B13R1.119 BrCCCOCCCC1CCCC1 34a_100011217188_100011713738 [0,1,0,1,0,0|1,0,1]=4 21189 B13R1.119 C#CCCCCCCN1CCCC1 2230a_100000188435_100012276617 [0,1,0,1,0,0|1,0,1]=4 21190 B13R1.119 C#CCCCCCCN1CCCC1 269982a_100000188435_100012276617 [0,1,0,1,0,0|1,0,1]=4 21191 B13R1.119 C#CCCCCCNC1CCCC1 2230a_100000211070_100012094781 [0,1,0,1,0,0|1,0,1]=4 21192 B13R1.119 C#CCCCCCNC1CCCC1 34a_100000211070_100012094781 [0,1,0,1,0,0|1,0,1]=4 21193 B13R1.119 C#CCCCCCOC1CCCC1 34a_100000210269_100012094781 [0,1,0,1,0,0|1,0,1]=4 21194 B13R1.119 C#CCCCCCOC1CCCC1 34a_100000766912_100000179811 [0,1,0,1,0,0|1,0,1]=4 21195 B13R1.119 C#CCCCCCOC1CCCC1 7a_100000210269_100012094781 [0,1,0,1,0,0|1,0,1]=4 21196 B13R1.119 C#CCCCCCOC1CCCC1 7a_100000766912_100000179811 [0,1,0,1,0,0|1,0,1]=4 21197 B13R1.119 C#CCCCCCSC1CCCC1 62a_100011217020_100012094781 [0,1,0,1,0,0|1,0,1]=4 21198 B13R1.119 C#CCCCCCSC1CCCC1 62a_100012094781_100000179811 [0,1,0,1,0,0|1,0,1]=4 21199 B13R1.119 C#CCCCCNCC1CCCC1 2230a_100000706060_100000740388 [0,1,0,1,0,0|1,0,1]=4 21200 B13R1.119 C#CCCCCNCC1CCCC1 2230a_100000737975_100010269958 [0,1,0,1,0,0|1,0,1]=4 21201 B13R1.119 C#CCCCCNCC1CCCC1 34a_100000706060_100000740388 [0,1,0,1,0,0|1,0,1]=4 21202 B13R1.119 C#CCCCCNCC1CCCC1 34a_100000737975_100010269958 [0,1,0,1,0,0|1,0,1]=4 21203 B13R1.119 C#CCCCCOCC1CCCC1 34a_100000742336_100010269958 [0,1,0,1,0,0|1,0,1]=4 21204 B13R1.119 C#CCCCCOCC1CCCC1 34a_100000766709_100000740388 [0,1,0,1,0,0|1,0,1]=4 21205 B13R1.119 C#CCCCCOCC1CCCC1 7a_100000742336_100010269958 [0,1,0,1,0,0|1,0,1]=4 21206 B13R1.119 C#CCCCCOCC1CCCC1 7a_100000766709_100000740388 [0,1,0,1,0,0|1,0,1]=4 21207 B13R1.119 C#CCCCCSCC1CCCC1 62a_100000740388_100010269958 [0,1,0,1,0,0|1,0,1]=4 21208 B13R1.119 C#CCCCCSCC1CCCC1 62a_100010269958_100000740388 [0,1,0,1,0,0|1,0,1]=4 21209 B13R1.119 C#CCCCNCCC1CCCC1 2230a_100000739158_100000731252 [0,1,0,1,0,0|1,0,1]=4 21210 B13R1.119 C#CCCCNCCC1CCCC1 34a_100000718082_100000760354 [0,1,0,1,0,0|1,0,1]=4 21211 B13R1.119 C#CCCCNCCC1CCCC1 34a_100000739158_100000695029 [0,1,0,1,0,0|1,0,1]=4 21212 B13R1.119 C#CCCCOCCC1CCCC1 34a_100000215630_100000760354 [0,1,0,1,0,0|1,0,1]=4 21213 B13R1.119 C#CCCCOCCC1CCCC1 34a_100000749090_100000695029 [0,1,0,1,0,0|1,0,1]=4 21214 B13R1.119 C#CCCCOCCC1CCCC1 7a_100000215630_100000760354 [0,1,0,1,0,0|1,0,1]=4 21215 B13R1.119 C#CCCCOCCC1CCCC1 7a_100000749090_100011215417 [0,1,0,1,0,0|1,0,1]=4 21216 B13R1.119 C#CCCCSCCC1CCCC1 62a_100000760354_100011215417 [0,1,0,1,0,0|1,0,1]=4 21217 B13R1.119 C#CCCCSCCC1CCCC1 62a_100011215417_100000760354 [0,1,0,1,0,0|1,0,1]=4 21218 B13R1.119 C#CCCNCCCC1CCCC1 2230a_100000736752_100000688953 [0,1,0,1,0,0|1,0,1]=4 21219 B13R1.119 C#CCCNCCCC1CCCC1 34a_100000736752_100000688953 [0,1,0,1,0,0|1,0,1]=4 21220 B13R1.119 C#CCCNCCCC1CCCC1 34a_100000755551_100011713738 [0,1,0,1,0,0|1,0,1]=4 21221 B13R1.119 C#CCCOCCCC1CCCC1 34a_100011215328_100000688953 [0,1,0,1,0,0|1,0,1]=4 21222 B13R1.119 C#CCCOCCCC1CCCC1 34a_100011215631_100011713738 [0,1,0,1,0,0|1,0,1]=4 21223 B13R1.119 C#CCCOCCCC1CCCC1 7a_100011215328_100000688953 [0,1,0,1,0,0|1,0,1]=4 21224 B13R1.119 C#CCCSCCCC1CCCC1 62a_100000688953_100011713738 [0,1,0,1,0,0|1,0,1]=4 21225 B13R1.119 C#CCCSCCCC1CCCC1 62a_100011713738_100000688953 [0,1,0,1,0,0|1,0,1]=4 21226 B13R1.119 C/C=C/CCOCCC1CCCC1 34a_100016278192_100000760354 [0,1,0,1,0,0|1,0,1]=4 21227 B13R1.119 C/C=C/CNCCCC1CCCC1 34a_100000736752_100102629194 [0,1,0,1,0,0|1,0,1]=4 21228 B13R1.119 C/C=C/COCCCC1CCCC1 34a_100011215328_100102629194 [0,1,0,1,0,0|1,0,1]=4 21229 B13R1.119 C/C=C/COCCCC1CCCC1 34a_100016270725_100011713738 [0,1,0,1,0,0|1,0,1]=4 21230 B13R1.119 C/C=C/COCCCC1CCCC1 7a_100011215328_100102629194 [0,1,0,1,0,0|1,0,1]=4 21231 B13R1.119 C/C=C/CSCCCC1CCCC1 62a_100011713738_100102629194 [0,1,0,1,0,0|1,0,1]=4 21232 B13R1.119 C/C=C/CSCCCC1CCCC1 62a_100102629194_100011713738 [0,1,0,1,0,0|1,0,1]=4 21233 B13R1.119 C=CCCCCCCN1CCCC1 2230a_100000188435_100011215473 [0,1,0,1,0,0|1,0,0]=3 21234 B13R1.119 C=CCCCCCCN1CCCC1 269982a_100000188435_100011215473 [0,1,0,1,0,0|1,0,0]=3 21235 B13R1.119 C=CCCCCCCN1CCSC1 2230a_100011215254_100011215473 [0,1,0,1,0,0|2,0,0]=4 21236 B13R1.119 C=CCCCCCCN1CCSC1 269982a_100011215254_100011215473 [0,1,0,1,0,0|2,0,0]=4 21237 B13R1.119 C=CCCCCCNC1CCCC1 2230a_100000211070_100000700193 [0,1,0,1,0,0|1,0,0]=3 21238 B13R1.119 C=CCCCCCNC1CCCC1 34a_100000211070_100000700193 [0,1,0,1,0,0|1,0,0]=3 21239 B13R1.119 C=CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000700193 [0,1,0,1,0,0|2,0,0]=4 21240 B13R1.119 C=CCCCCCN[C@H]1CCOC1 2230a_100015188467_100000700193 [0,1,0,1,0,0|2,0,0]=4 21241 B13R1.119 C=CCCCCCN[C@H]1CCOC1 34a_100015188467_100000700193 [0,1,0,1,0,0|2,0,0]=4 21242 B13R1.119 C=CCCCCCOC1CCCC1 34a_100000210269_100000700193 [0,1,0,1,0,0|1,0,0]=3 21243 B13R1.119 C=CCCCCCOC1CCCC1 34a_100011216702_100000179811 [0,1,0,1,0,0|1,0,0]=3 21244 B13R1.119 C=CCCCCCOC1CCCC1 7a_100000210269_100000700193 [0,1,0,1,0,0|1,0,0]=3 21245 B13R1.119 C=CCCCCCOC1CCCC1 7a_100011216702_100000179811 [0,1,0,1,0,0|1,0,0]=3 21246 B13R1.119 C=CCCCCCOC1CCCO1 34a_100000085407_100000700193 [0,1,0,1,0,0|2,0,0]=4 21247 B13R1.119 C=CCCCCCOC1CCOC1 34a_100011216702_100000690089 [0,1,0,1,0,0|2,0,0]=4 21248 B13R1.119 C=CCCCCCOC1CCOC1 7a_100011216702_100000731011 [0,1,0,1,0,0|2,0,0]=4 21249 B13R1.119 C=CCCCCCOC1CCSC1 7a_100011232664_100000700193 [0,1,0,1,0,0|2,0,0]=4 21250 B13R1.119 C=CCCCCCO[C@H]1CCOC1 34a_100000717292_100000700193 [0,1,0,1,0,0|2,0,0]=4 21251 B13R1.119 C=CCCCCCSC1CCCC1 62a_100000700193_100000179811 [0,1,0,1,0,0|1,0,0]=3 21252 B13R1.119 C=CCCCCCSC1CCCC1 62a_100011217020_100000700193 [0,1,0,1,0,0|1,0,0]=3 21253 B13R1.119 C=CCCCCCSC1CCOC1 62a_100000700193_100000690089 [0,1,0,1,0,0|2,0,0]=4 21254 B13R1.119 C=CCCCCNCC1CCCC1 2230a_100000703577_100000740388 [0,1,0,1,0,0|1,0,0]=3 21255 B13R1.119 C=CCCCCNCC1CCCC1 2230a_100000737975_100011215482 [0,1,0,1,0,0|1,0,0]=3 21256 B13R1.119 C=CCCCCNCC1CCCC1 269862a_100000703577_100000746403 [0,1,0,1,0,0|1,0,0]=3 21257 B13R1.119 C=CCCCCNCC1CCCC1 34a_100000703577_100000740388 [0,1,0,1,0,0|1,0,0]=3 21258 B13R1.119 C=CCCCCNCC1CCCC1 34a_100000737975_100011215482 [0,1,0,1,0,0|1,0,0]=3 21259 B13R1.119 C=CCCCCNCC1CCCO1 2230a_100000703577_100000203698 [0,1,0,1,0,0|2,0,0]=4 21260 B13R1.119 C=CCCCCNCC1CCOC1 2230a_100000703577_100000702531 [0,1,0,1,0,0|2,0,0]=4 21261 B13R1.119 C=CCCCCNCC1CCOC1 2230a_100000737293_100011215482 [0,1,0,1,0,0|2,0,0]=4 21262 B13R1.119 C=CCCCCNCC1CCOC1 34a_100000703577_100011261433 [0,1,0,1,0,0|2,0,0]=4 21263 B13R1.119 C=CCCCCNCC1CCOC1 34a_100000737293_100011215482 [0,1,0,1,0,0|2,0,0]=4 21264 B13R1.119 C=CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100011215482 [0,1,0,1,0,0|2,0,0]=4 21265 B13R1.119 C=CCCCCNC[C@@H]1CCCO1 34a_100020590478_100011215482 [0,1,0,1,0,0|2,0,0]=4 21266 B13R1.119 C=CCCCCOCC1CCCC1 34a_100000742336_100011215482 [0,1,0,1,0,0|1,0,0]=3 21267 B13R1.119 C=CCCCCOCC1CCCC1 34a_100000766645_100000740388 [0,1,0,1,0,0|1,0,0]=3 21268 B13R1.119 C=CCCCCOCC1CCCC1 7a_100000742336_100011215482 [0,1,0,1,0,0|1,0,0]=3 21269 B13R1.119 C=CCCCCOCC1CCCC1 7a_100000766645_100000740388 [0,1,0,1,0,0|1,0,0]=3 21270 B13R1.119 C=CCCCCOCC1CCCO1 34a_100000210270_100011215482 [0,1,0,1,0,0|2,0,0]=4 21271 B13R1.119 C=CCCCCOCC1CCCO1 7a_100000210270_100011215482 [0,1,0,1,0,0|2,0,0]=4 21272 B13R1.119 C=CCCCCOCC1CCCO1 7a_100000766645_100000203698 [0,1,0,1,0,0|2,0,0]=4 21273 B13R1.119 C=CCCCCOCC1CCNC1 34a_100000748654_100011215482 [0,1,0,1,0,0|2,0,0]=4 21274 B13R1.119 C=CCCCCOCC1CCOC1 34a_100000740260_100011215482 [0,1,0,1,0,0|2,0,0]=4 21275 B13R1.119 C=CCCCCOCC1CCOC1 34a_100000766645_100011261433 [0,1,0,1,0,0|2,0,0]=4 21276 B13R1.119 C=CCCCCOCC1CCOC1 7a_100000766645_100000702531 [0,1,0,1,0,0|2,0,0]=4 21277 B13R1.119 C=CCCCCOC[C@H]1CCCN1 34a_100000745186_100011215482 [0,1,0,1,0,0|2,0,0]=4 21278 B13R1.119 C=CCCCCSCC1CCCC1 62a_100000740388_100011215482 [0,1,0,1,0,0|1,0,0]=3 21279 B13R1.119 C=CCCCCSCC1CCCC1 62a_100011215482_100000740388 [0,1,0,1,0,0|1,0,0]=3 21280 B13R1.119 C=CCCCCSCC1CCCO1 62a_100000203698_100011215482 [0,1,0,1,0,0|2,0,0]=4 21281 B13R1.119 C=CCCCCSCC1CCCO1 62a_100011215482_100000203698 [0,1,0,1,0,0|2,0,0]=4 21282 B13R1.119 C=CCCCCSCC1CCOC1 62a_100000702531_100011215482 [0,1,0,1,0,0|2,0,0]=4 21283 B13R1.119 C=CCCCCSCC1CCOC1 62a_100011215482_100000702531 [0,1,0,1,0,0|2,0,0]=4 21284 B13R1.119 C=CCCCNCCC1CCCC1 2230a_100000700776_100000760354 [0,1,0,1,0,0|1,0,0]=3 21285 B13R1.119 C=CCCCNCCC1CCCC1 2230a_100000739158_100011713584 [0,1,0,1,0,0|1,0,0]=3 21286 B13R1.119 C=CCCCNCCC1CCCC1 34a_100000700776_100000760354 [0,1,0,1,0,0|1,0,0]=3 21287 B13R1.119 C=CCCCNCCC1CCCC1 34a_100000739158_100000757094 [0,1,0,1,0,0|1,0,0]=3 21288 B13R1.119 C=CCCCOCCC1CCCC1 34a_100000749090_100000757094 [0,1,0,1,0,0|1,0,0]=3 21289 B13R1.119 C=CCCCOCCC1CCCC1 34a_100000758997_100000760354 [0,1,0,1,0,0|1,0,0]=3 21290 B13R1.119 C=CCCCOCCC1CCCC1 7a_100000749090_100000757094 [0,1,0,1,0,0|1,0,0]=3 21291 B13R1.119 C=CCCCOCCC1CCCC1 7a_100000758997_100000760354 [0,1,0,1,0,0|1,0,0]=3 21292 B13R1.119 C=CCCCOCCC1CCNC1 34a_100016987287_100000757094 [0,1,0,1,0,0|2,0,0]=4 21293 B13R1.119 C=CCCCOCCC1CCOC1 34a_100011879284_100000757094 [0,1,0,1,0,0|2,0,0]=4 21294 B13R1.119 C=CCCCOCCN1CCCC1 7a_100000758997_100000004467 [0,1,0,1,0,0|2,0,0]=4 21295 B13R1.119 C=CCCCSCCC1CCCC1 62a_100000760354_100000757094 [0,1,0,1,0,0|1,0,0]=3 21296 B13R1.119 C=CCCCSCCC1CCCC1 62a_100011713584_100000760354 [0,1,0,1,0,0|1,0,0]=3 21297 B13R1.119 C=CCCCSCCN1CCCC1 62a_100000700749_100000757094 [0,1,0,1,0,0|2,0,0]=4 21298 B13R1.119 C=CCCCSCCN1CCCC1 62a_100011713584_100000004467 [0,1,0,1,0,0|2,0,0]=4 21299 B13R1.119 C=CCCNCCCC1CCCC1 2230a_100000736752_100000754431 [0,1,0,1,0,0|1,0,0]=3 21300 B13R1.119 C=CCCNCCCC1CCCC1 2230a_100015191253_100011713738 [0,1,0,1,0,0|1,0,0]=3 21301 B13R1.119 C=CCCNCCCC1CCCC1 34a_100000736752_100000754431 [0,1,0,1,0,0|1,0,0]=3 21302 B13R1.119 C=CCCNCCCN1CCCC1 2230a_100015191253_100011445909 [0,1,0,1,0,0|2,0,0]=4 21303 B13R1.119 C=CCCNCCOC1CCCC1 34a_100000741755_100000754431 [0,1,0,1,0,0|2,0,0]=4 21304 B13R1.119 C=CCCOCCCC1CCCC1 34a_100011205117_100011713738 [0,1,0,1,0,0|1,0,0]=3 21305 B13R1.119 C=CCCOCCCC1CCCC1 34a_100011215328_100000754431 [0,1,0,1,0,0|1,0,0]=3 21306 B13R1.119 C=CCCOCCCC1CCCC1 7a_100011215328_100000754431 [0,1,0,1,0,0|1,0,0]=3 21307 B13R1.119 C=CCCOCCCN1CCCC1 34a_100011205117_100016991639 [0,1,0,1,0,0|2,0,0]=4 21308 B13R1.119 C=CCCOCCNC1CCCC1 34a_200000200444_100000754431 [0,1,0,1,0,0|2,0,0]=4 21309 B13R1.119 C=CCCOCCOC1CCCC1 34a_100000738311_100000754431 [0,1,0,1,0,0|2,0,0]=4 21310 B13R1.119 C=CCCOCCOC1CCCC1 7a_100000738311_100000754431 [0,1,0,1,0,0|2,0,0]=4 21311 B13R1.119 C=CCCSCCCC1CCCC1 62a_100000754431_100011713738 [0,1,0,1,0,0|1,0,0]=3 21312 B13R1.119 C=CCCSCCCC1CCCC1 62a_100011713738_100000754431 [0,1,0,1,0,0|1,0,0]=3 21313 B13R1.119 C=CCCSCCCN1CCCC1 62a_100000754431_100011445909 [0,1,0,1,0,0|2,0,0]=4 21314 B13R1.119 C=CCCSCCCN1CCCC1 62a_100016991639_100000754431 [0,1,0,1,0,0|2,0,0]=4 21315 B13R1.119 C=CCNCCCOC1CCCC1 34a_100000747560_100015514636 [0,1,0,1,0,0|2,0,0]=4 21316 B13R1.119 C=CCOCCOCC1CCCC1 34a_100000037705_100000740388 [0,1,0,1,0,0|2,0,0]=4 21317 B13R1.119 C=CCOCCOCC1CCCC1 7a_100000037705_100000740388 [0,1,0,1,0,0|2,0,0]=4 21318 B13R1.119 C=COCCCCOC1CCCC1 34a_100000031558_100000179811 [0,1,0,1,0,0|2,0,0]=4 21319 B13R1.119 C=COCCCCOC1CCCC1 7a_100000031558_100000179811 [0,1,0,1,0,0|2,0,0]=4 21320 B13R1.119 C=COCCCNCC1CCCC1 2230a_100000210767_100000740388 [0,1,0,1,0,0|2,0,0]=4 21321 B13R1.119 C=COCCCNCC1CCCC1 269862a_100000210767_100000746403 [0,1,0,1,0,0|2,0,0]=4 21322 B13R1.119 C=COCCCNCC1CCCC1 34a_100000210767_100000740388 [0,1,0,1,0,0|2,0,0]=4 21323 B13R1.119 C=COCCNCCC1CCCC1 2230a_100000739158_100000039644 [0,1,0,1,0,0|2,0,0]=4 21324 B13R1.119 C=COCCNCCC1CCCC1 34a_100000739158_100000039644 [0,1,0,1,0,0|2,0,0]=4 21325 B13R1.119 C=COCCOCCC1CCCC1 34a_100000033082_100000760354 [0,1,0,1,0,0|2,0,0]=4 21326 B13R1.119 C=COCCOCCC1CCCC1 34a_100000749090_100000039644 [0,1,0,1,0,0|2,0,0]=4 21327 B13R1.119 C=COCCOCCC1CCCC1 7a_100000749090_100000039644 [0,1,0,1,0,0|2,0,0]=4 21328 B13R1.119 C=COCCSCCC1CCCC1 62a_100000039644_100000760354 [0,1,0,1,0,0|2,0,0]=4 21329 B13R1.119 C=COCCSCCC1CCCC1 62a_100000760354_100000039644 [0,1,0,1,0,0|2,0,0]=4 21330 B13R1.119 CC=CCCCOCC1CCCC1 34a_100020645299_100000740388 [0,1,0,1,0,0|1,0,1]=4 21331 B13R1.119 CC=CCNCCCC1CCCC1 2230a_100000736752_100000070051 [0,1,0,1,0,0|1,0,1]=4 21332 B13R1.119 CC=CCNCCCC1CCCC1 34a_100000736752_100000070051 [0,1,0,1,0,0|1,0,1]=4 21333 B13R1.119 CC=CCOCCCC1CCCC1 34a_100011215328_100000070051 [0,1,0,1,0,0|1,0,1]=4 21334 B13R1.119 CC=CCOCCCC1CCCC1 7a_100011215328_100000070051 [0,1,0,1,0,0|1,0,1]=4 21335 B13R1.119 CC=CCSCCCC1CCCC1 62a_100000070051_100011713738 [0,1,0,1,0,0|1,0,1]=4 21336 B13R1.119 CC=CCSCCCC1CCCC1 62a_100011713738_100000070051 [0,1,0,1,0,0|1,0,1]=4 21337 B13R1.119 CCCCCCCCN1CC=CC1 269982a_100015195280_100000210759 [0,1,0,1,0,0|1,0,1]=4 21338 B13R1.119 CCCCCCCCN1CCCC1 2230a_100000188435_100000210759 [0,1,0,1,0,0|1,0,1]=4 21339 B13R1.119 CCCCCCCCN1CCCC1 269982a_100000188435_100000210759 [0,1,0,1,0,0|1,0,1]=4 21340 B13R1.119 CCCCCCCCN1CCSC1 2230a_100011215254_100000210759 [0,1,0,1,0,0|2,0,0]=4 21341 B13R1.119 CCCCCCCCN1CCSC1 269982a_100011215254_100000210759 [0,1,0,1,0,0|2,0,0]=4 21342 B13R1.119 CCCCCCCNC1CC=CC1 2230a_100015188752_100000210681 [0,1,0,1,0,0|1,0,1]=4 21343 B13R1.119 CCCCCCCNC1CCCC1 2230a_100000211070_100000210681 [0,1,0,1,0,0|1,0,1]=4 21344 B13R1.119 CCCCCCCNC1CCCC1 2230a_100000229938_100000179811 [0,1,0,1,0,0|1,0,1]=4 21345 B13R1.119 CCCCCCCNC1CCCC1 270004a_100000229938_100000210133 [0,1,0,1,0,0|1,0,1]=4 21346 B13R1.119 CCCCCCCNC1CCCC1 34a_100000211070_100000210614 [0,1,0,1,0,0|1,0,1]=4 21347 B13R1.119 CCCCCCCNC1CCOC1 2230a_100000229938_100000731011 [0,1,0,1,0,0|2,0,0]=4 21348 B13R1.119 CCCCCCCNC1CCOC1 270004a_100000229938_100000752484 [0,1,0,1,0,0|2,0,0]=4 21349 B13R1.119 CCCCCCCNC1CCSC1 270004a_100000229938_100000212027 [0,1,0,1,0,0|2,0,0]=4 21350 B13R1.119 CCCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210681 [0,1,0,1,0,0|2,0,0]=4 21351 B13R1.119 CCCCCCCN[C@H]1CCOC1 2230a_100015188467_100000210681 [0,1,0,1,0,0|2,0,0]=4 21352 B13R1.119 CCCCCCCN[C@H]1CCOC1 34a_100015188467_100000210614 [0,1,0,1,0,0|2,0,0]=4 21353 B13R1.119 CCCCCCCOC1CCCC1 34a_100000210269_100000210614 [0,1,0,1,0,0|1,0,1]=4 21354 B13R1.119 CCCCCCCOC1CCCC1 34a_100000210272_100000179811 [0,1,0,1,0,0|1,0,1]=4 21355 B13R1.119 CCCCCCCOC1CCCC1 7a_100000210269_100000210614 [0,1,0,1,0,0|1,0,1]=4 21356 B13R1.119 CCCCCCCOC1CCCC1 7a_100000210272_100000179811 [0,1,0,1,0,0|1,0,1]=4 21357 B13R1.119 CCCCCCCOC1CCCO1 34a_100000085407_100000210614 [0,1,0,1,0,0|0,0,2]=4 21358 B13R1.119 CCCCCCCOC1CCOC1 34a_100000210272_100000690089 [0,1,0,1,0,0|2,0,0]=4 21359 B13R1.119 CCCCCCCOC1CCOC1 7a_100000210272_100000731011 [0,1,0,1,0,0|2,0,0]=4 21360 B13R1.119 CCCCCCCOC1CCSC1 7a_100011232664_100000210614 [0,1,0,1,0,0|2,0,0]=4 21361 B13R1.119 CCCCCCCO[C@H]1CCOC1 34a_100000717292_100000210614 [0,1,0,1,0,0|2,0,0]=4 21362 B13R1.119 CCCCCCCSC1CCCC1 62a_100000210614_100000179811 [0,1,0,1,0,0|1,0,1]=4 21363 B13R1.119 CCCCCCCSC1CCCC1 62a_100011217020_100000210316 [0,1,0,1,0,0|1,0,1]=4 21364 B13R1.119 CCCCCCCSC1CCOC1 62a_100000210614_100000690089 [0,1,0,1,0,0|2,0,0]=4 21365 B13R1.119 CCCCCCNCC1CCCC1 2230a_100000210581_100000740388 [0,1,0,1,0,0|1,0,1]=4 21366 B13R1.119 CCCCCCNCC1CCCC1 2230a_100000737975_100000210314 [0,1,0,1,0,0|1,0,1]=4 21367 B13R1.119 CCCCCCNCC1CCCC1 269862a_100000210581_100000746403 [0,1,0,1,0,0|1,0,1]=4 21368 B13R1.119 CCCCCCNCC1CCCC1 34a_100000737975_100000210314 [0,1,0,1,0,0|1,0,1]=4 21369 B13R1.119 CCCCCCNCC1CCCO1 2230a_100000210581_100000203698 [0,1,0,1,0,0|0,0,2]=4 21370 B13R1.119 CCCCCCNCC1CCOC1 2230a_100000210581_100000702531 [0,1,0,1,0,0|2,0,0]=4 21371 B13R1.119 CCCCCCNCC1CCOC1 2230a_100000737293_100000210314 [0,1,0,1,0,0|2,0,0]=4 21372 B13R1.119 CCCCCCNCC1CCOC1 34a_100000737293_100000210314 [0,1,0,1,0,0|2,0,0]=4 21373 B13R1.119 CCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210314 [0,1,0,1,0,0|0,0,2]=4 21374 B13R1.119 CCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000210314 [0,1,0,1,0,0|0,0,2]=4 21375 B13R1.119 CCCCCCOCC1CC=CC1 34a_100000688395_100000210314 [0,1,0,1,0,0|1,0,1]=4 21376 B13R1.119 CCCCCCOCC1CCCC1 34a_100000210259_100000740388 [0,1,0,1,0,0|1,0,1]=4 21377 B13R1.119 CCCCCCOCC1CCCC1 34a_100000742336_100000210314 [0,1,0,1,0,0|1,0,1]=4 21378 B13R1.119 CCCCCCOCC1CCCC1 7a_100000210259_100000740388 [0,1,0,1,0,0|1,0,1]=4 21379 B13R1.119 CCCCCCOCC1CCCC1 7a_100000742336_100000210314 [0,1,0,1,0,0|1,0,1]=4 21380 B13R1.119 CCCCCCOCC1CCCO1 34a_100000210270_100000210314 [0,1,0,1,0,0|0,0,2]=4 21381 B13R1.119 CCCCCCOCC1CCCO1 7a_100000210259_100000203698 [0,1,0,1,0,0|0,0,2]=4 21382 B13R1.119 CCCCCCOCC1CCCO1 7a_100000210270_100000210314 [0,1,0,1,0,0|0,0,2]=4 21383 B13R1.119 CCCCCCOCC1CCNC1 34a_100000748654_100000210314 [0,1,0,1,0,0|2,0,0]=4 21384 B13R1.119 CCCCCCOCC1CCOC1 34a_100000210259_100011261433 [0,1,0,1,0,0|2,0,0]=4 21385 B13R1.119 CCCCCCOCC1CCOC1 34a_100000740260_100000210314 [0,1,0,1,0,0|2,0,0]=4 21386 B13R1.119 CCCCCCOCC1CCOC1 7a_100000210259_100000702531 [0,1,0,1,0,0|2,0,0]=4 21387 B13R1.119 CCCCCCOC[C@H]1CCCN1 34a_100000745186_100000210314 [0,1,0,1,0,0|1,0,1]=4 21388 B13R1.119 CCCCCCSCC1CCCC1 62a_100000210314_100000740388 [0,1,0,1,0,0|1,0,1]=4 21389 B13R1.119 CCCCCCSCC1CCCC1 62a_100000740388_100000210757 [0,1,0,1,0,0|1,0,1]=4 21390 B13R1.119 CCCCCCSCC1CCCO1 62a_100000203698_100000210757 [0,1,0,1,0,0|0,0,2]=4 21391 B13R1.119 CCCCCCSCC1CCCO1 62a_100000210314_100000203698 [0,1,0,1,0,0|0,0,2]=4 21392 B13R1.119 CCCCCCSCC1CCOC1 62a_100000210314_100000702531 [0,1,0,1,0,0|2,0,0]=4 21393 B13R1.119 CCCCCCSCC1CCOC1 62a_100000702531_100000210757 [0,1,0,1,0,0|2,0,0]=4 21394 B13R1.119 CCCCCNCCC1CCCC1 2230a_100000209983_100000760354 [0,1,0,1,0,0|1,0,1]=4 21395 B13R1.119 CCCCCNCCC1CCCC1 2230a_100000739158_100000210326 [0,1,0,1,0,0|1,0,1]=4 21396 B13R1.119 CCCCCNCCC1CCCC1 34a_100000739158_100000718602 [0,1,0,1,0,0|1,0,1]=4 21397 B13R1.119 CCCCCOCCC1CCCC1 34a_100000210253_100000760354 [0,1,0,1,0,0|1,0,1]=4 21398 B13R1.119 CCCCCOCCC1CCCC1 34a_100000749090_100000718602 [0,1,0,1,0,0|1,0,1]=4 21399 B13R1.119 CCCCCOCCC1CCCC1 7a_100000210253_100000760354 [0,1,0,1,0,0|1,0,1]=4 21400 B13R1.119 CCCCCOCCC1CCCC1 7a_100000749090_100000210326 [0,1,0,1,0,0|1,0,1]=4 21401 B13R1.119 CCCCCOCCC1CCNC1 34a_100016987287_100000718602 [0,1,0,1,0,0|2,0,0]=4 21402 B13R1.119 CCCCCOCCC1CCOC1 34a_100011879284_100000718602 [0,1,0,1,0,0|2,0,0]=4 21403 B13R1.119 CCCCCSCCC1CCCC1 62a_100000210326_100000760354 [0,1,0,1,0,0|1,0,1]=4 21404 B13R1.119 CCCCCSCCC1CCCC1 62a_100000760354_100000210326 [0,1,0,1,0,0|1,0,1]=4 21405 B13R1.119 CCCCNCCCC1CCCC1 2230a_100000102301_100011713738 [0,1,0,1,0,0|1,0,1]=4 21406 B13R1.119 CCCCNCCCC1CCCC1 2230a_100000736752_100000210211 [0,1,0,1,0,0|1,0,1]=4 21407 B13R1.119 CCCCNCCCC1CCCC1 34a_100000736752_100000210210 [0,1,0,1,0,0|1,0,1]=4 21408 B13R1.119 CCCCNCCCC1CCCC1 7a_106832991798_100011713738 [0,1,0,1,0,0|1,0,1]=4 21409 B13R1.119 CCCCOCCCC1CCCC1 34a_100000210227_100011713738 [0,1,0,1,0,0|1,0,1]=4 21410 B13R1.119 CCCCOCCCC1CCCC1 34a_100011215328_100000210210 [0,1,0,1,0,0|1,0,1]=4 21411 B13R1.119 CCCCOCCCC1CCCC1 7a_100000210227_100011713738 [0,1,0,1,0,0|1,0,1]=4 21412 B13R1.119 CCCCOCCCC1CCCC1 7a_100011215328_100000210211 [0,1,0,1,0,0|1,0,1]=4 21413 B13R1.119 CCCCSCCCC1CCCC1 62a_100000210211_100011713738 [0,1,0,1,0,0|1,0,1]=4 21414 B13R1.119 CCCCSCCCC1CCCC1 62a_100011713738_100000210210 [0,1,0,1,0,0|1,0,1]=4 21415 B13R1.119 CNCCCCCOC1CCCC1 34a_100000722520_100000179811 [0,1,0,1,0,0|2,0,0]=4 21416 B13R1.119 CNCCCOCCC1CCCC1 34a_100000213112_100000760354 [0,1,0,1,0,0|2,0,0]=4 21417 B13R1.119 COCCCCCCN1CCCC1 2230a_100000188435_100011998445 [0,1,0,1,0,0|2,0,0]=4 21418 B13R1.119 COCCCCCCN1CCCC1 269982a_100000188435_100011998445 [0,1,0,1,0,0|2,0,0]=4 21419 B13R1.119 COCCCCCNC1CCCC1 2230a_100000747528_100000179811 [0,1,0,1,0,0|2,0,0]=4 21420 B13R1.119 COCCCCCNC1CCCC1 270004a_100000747528_100000210133 [0,1,0,1,0,0|2,0,0]=4 21421 B13R1.119 COCCCCCNC1CCCC1 34a_100000747528_100000179811 [0,1,0,1,0,0|2,0,0]=4 21422 B13R1.119 COCCCCNCC1CCCC1 2230a_100000737975_100000730899 [0,1,0,1,0,0|2,0,0]=4 21423 B13R1.119 COCCCCNCC1CCCC1 34a_100000737975_100000755781 [0,1,0,1,0,0|2,0,0]=4 21424 B13R1.119 COCCCCOCC1CCCC1 34a_100000740925_100000740388 [0,1,0,1,0,0|2,0,0]=4 21425 B13R1.119 COCCCCOCC1CCCC1 34a_100000742336_100000755781 [0,1,0,1,0,0|2,0,0]=4 21426 B13R1.119 COCCCCOCC1CCCC1 7a_100000742336_100000730899 [0,1,0,1,0,0|2,0,0]=4 21427 B13R1.119 COCCCCSCC1CCCC1 62a_100000730899_100000740388 [0,1,0,1,0,0|2,0,0]=4 21428 B13R1.119 COCCCCSCC1CCCC1 62a_100000740388_100000730899 [0,1,0,1,0,0|2,0,0]=4 21429 B13R1.119 COCCCNCCC1CCCC1 2230a_100000739158_100000740836 [0,1,0,1,0,0|2,0,0]=4 21430 B13R1.119 COCCCNCCC1CCCC1 34a_100000739158_100000740836 [0,1,0,1,0,0|2,0,0]=4 21431 B13R1.119 COCCCNCCC1CCCC1 34a_100150723488_100000760354 [0,1,0,1,0,0|2,0,0]=4 21432 B13R1.119 COCCCOCCC1CCCC1 34a_100000740835_100000760354 [0,1,0,1,0,0|2,0,0]=4 21433 B13R1.119 COCCCOCCC1CCCC1 34a_100000749090_100000740836 [0,1,0,1,0,0|2,0,0]=4 21434 B13R1.119 COCCCOCCC1CCCC1 7a_100000749090_100000740836 [0,1,0,1,0,0|2,0,0]=4 21435 B13R1.119 COCCCSCCC1CCCC1 62a_100000709357_100000760354 [0,1,0,1,0,0|2,0,0]=4 21436 B13R1.119 COCCCSCCC1CCCC1 62a_100000760354_100000709357 [0,1,0,1,0,0|2,0,0]=4 21437 B13R1.119 COCCNCCCC1CCCC1 2230a_100000209980_100011713738 [0,1,0,1,0,0|2,0,0]=4 21438 B13R1.119 COCCNCCCC1CCCC1 2230a_100000736752_100011201679 [0,1,0,1,0,0|2,0,0]=4 21439 B13R1.119 COCCNCCCC1CCCC1 34a_100000736752_100011201679 [0,1,0,1,0,0|2,0,0]=4 21440 B13R1.119 COCCOCCCC1CCCC1 34a_100000210237_100011713738 [0,1,0,1,0,0|2,0,0]=4 21441 B13R1.119 COCCOCCCC1CCCC1 34a_100011215328_100011201679 [0,1,0,1,0,0|2,0,0]=4 21442 B13R1.119 COCCOCCCC1CCCC1 7a_100011215328_100000233755 [0,1,0,1,0,0|2,0,0]=4 21443 B13R1.119 COCCSCCCC1CCCC1 62a_100000233755_100011713738 [0,1,0,1,0,0|2,0,0]=4 21444 B13R1.119 COCCSCCCC1CCCC1 62a_100011713738_100000233755 [0,1,0,1,0,0|2,0,0]=4 21445 B13R1.119 CSCCCCOCC1CCCC1 34a_100011217163_100000740388 [0,1,0,1,0,0|2,0,0]=4 21446 B13R1.119 CSCCCCOCC1CCCC1 7a_100011217163_100000740388 [0,1,0,1,0,0|2,0,0]=4 21447 B13R1.119 CSCCCNCCC1CCCC1 2230a_100000749238_100000760354 [0,1,0,1,0,0|2,0,0]=4 21448 B13R1.119 CSCCCOCCC1CCCC1 34a_100000690336_100000760354 [0,1,0,1,0,0|2,0,0]=4 21449 B13R1.119 CSCCCOCCC1CCCC1 7a_100000690336_100000760354 [0,1,0,1,0,0|2,0,0]=4 21450 B13R1.119 CSCCNCCCC1CCCC1 2230a_100000736752_100000751147 [0,1,0,1,0,0|2,0,0]=4 21451 B13R1.119 CSCCNCCCC1CCCC1 2230a_100020590264_100011713738 [0,1,0,1,0,0|2,0,0]=4 21452 B13R1.119 CSCCNCCCC1CCCC1 34a_100000736752_100000212216 [0,1,0,1,0,0|2,0,0]=4 21453 B13R1.119 CSCCOCCCC1CCCC1 34a_100000230434_100011713738 [0,1,0,1,0,0|2,0,0]=4 21454 B13R1.119 CSCCOCCCC1CCCC1 34a_100011215328_100000212216 [0,1,0,1,0,0|2,0,0]=4 21455 B13R1.119 CSCCOCCCC1CCCC1 7a_100000230434_100011713738 [0,1,0,1,0,0|2,0,0]=4 21456 B13R1.119 CSCCOCCCC1CCCC1 7a_100011215328_100000212216 [0,1,0,1,0,0|2,0,0]=4 21457 B13R1.119 CSCCSCCCC1CCCC1 62a_100000212216_100011713738 [0,1,0,1,0,0|2,0,0]=4 21458 B13R1.119 CSCCSCCCC1CCCC1 62a_100011713738_100000751147 [0,1,0,1,0,0|2,0,0]=4 21459 B13R1.119 ClCCCCCCOC1CCCC1 34a_100000766143_100000179811 [0,1,0,1,0,0|1,0,1]=4 21460 B13R1.119 ClCCCCCCOC1CCCC1 7a_100000766143_100000179811 [0,1,0,1,0,0|1,0,1]=4 21461 B13R1.119 ClCCCCCOCC1CCCC1 34a_100000746330_100000740388 [0,1,0,1,0,0|1,0,1]=4 21462 B13R1.119 ClCCCCCOCC1CCCC1 7a_100000746330_100000740388 [0,1,0,1,0,0|1,0,1]=4 21463 B13R1.119 ClCCCCOCCC1CCCC1 34a_100000210776_100000760354 [0,1,0,1,0,0|1,0,1]=4 21464 B13R1.119 ClCCCCOCCC1CCCC1 7a_100000210776_100000760354 [0,1,0,1,0,0|1,0,1]=4 21465 B13R1.119 ClCCCOCCCC1CCCC1 34a_100000230001_100011713738 [0,1,0,1,0,0|1,0,1]=4 21466 B13R1.119 FCCCCCCNC1CCCC1 2230a_100000211070_100015922095 [0,1,0,1,0,0|1,0,1]=4 21467 B13R1.119 FCCCCCCNC1CCCC1 34a_100000211070_100015922095 [0,1,0,1,0,0|1,0,1]=4 21468 B13R1.119 FCCCCCCOC1CCCC1 34a_100000210269_100015922095 [0,1,0,1,0,0|1,0,1]=4 21469 B13R1.119 FCCCCCCOC1CCCC1 34a_100000732779_100000179811 [0,1,0,1,0,0|1,0,1]=4 21470 B13R1.119 FCCCCCCOC1CCCC1 7a_100000210269_100015922095 [0,1,0,1,0,0|1,0,1]=4 21471 B13R1.119 FCCCCCCOC1CCCC1 7a_100000732779_100000179811 [0,1,0,1,0,0|1,0,1]=4 21472 B13R1.119 FCCCCCCSC1CCCC1 62a_100011217020_100015922095 [0,1,0,1,0,0|1,0,1]=4 21473 B13R1.119 FCCCCCCSC1CCCC1 62a_100015922095_100000179811 [0,1,0,1,0,0|1,0,1]=4 21474 B13R1.119 FCCCCCNCC1CCCC1 2230a_100000737975_100000729378 [0,1,0,1,0,0|1,0,1]=4 21475 B13R1.119 FCCCCCNCC1CCCC1 34a_100000737975_100000729378 [0,1,0,1,0,0|1,0,1]=4 21476 B13R1.119 FCCCCCOCC1CCCC1 34a_100000742336_100000729378 [0,1,0,1,0,0|1,0,1]=4 21477 B13R1.119 FCCCCCOCC1CCCC1 7a_100000742336_100000729378 [0,1,0,1,0,0|1,0,1]=4 21478 B13R1.119 FCCCCCSCC1CCCC1 62a_100000729378_100000740388 [0,1,0,1,0,0|1,0,1]=4 21479 B13R1.119 FCCCCCSCC1CCCC1 62a_100000740388_100000729378 [0,1,0,1,0,0|1,0,1]=4 21480 B13R1.119 FCCCCNCCC1CCCC1 2230a_100000739158_100000729493 [0,1,0,1,0,0|1,0,1]=4 21481 B13R1.119 FCCCCNCCC1CCCC1 34a_100000739158_100000729493 [0,1,0,1,0,0|1,0,1]=4 21482 B13R1.119 FCCCCOCCC1CCCC1 34a_100000749090_100000729493 [0,1,0,1,0,0|1,0,1]=4 21483 B13R1.119 FCCCCOCCC1CCCC1 34a_100011995726_100000760354 [0,1,0,1,0,0|1,0,1]=4 21484 B13R1.119 FCCCCOCCC1CCCC1 7a_100000749090_100000729493 [0,1,0,1,0,0|1,0,1]=4 21485 B13R1.119 FCCCCOCCC1CCCC1 7a_100011995726_100000760354 [0,1,0,1,0,0|1,0,1]=4 21486 B13R1.119 FCCCCSCCC1CCCC1 62a_100000729493_100000760354 [0,1,0,1,0,0|1,0,1]=4 21487 B13R1.119 FCCCCSCCC1CCCC1 62a_100000760354_100000729493 [0,1,0,1,0,0|1,0,1]=4 21488 B13R1.119 FCCCNCCCC1CCCC1 2230a_100000736752_100011934791 [0,1,0,1,0,0|1,0,1]=4 21489 B13R1.119 FCCCNCCCC1CCCC1 2230a_100015189416_100011713738 [0,1,0,1,0,0|1,0,1]=4 21490 B13R1.119 FCCCNCCCC1CCCC1 34a_100000736752_100011934791 [0,1,0,1,0,0|1,0,1]=4 21491 B13R1.119 FCCCNCCCC1CCCC1 34a_100015189416_100011713738 [0,1,0,1,0,0|1,0,1]=4 21492 B13R1.119 FCCCOCCCC1CCCC1 34a_100000759539_100011713738 [0,1,0,1,0,0|1,0,1]=4 21493 B13R1.119 FCCCOCCCC1CCCC1 34a_100011215328_100011934791 [0,1,0,1,0,0|1,0,1]=4 21494 B13R1.119 FCCCOCCCC1CCCC1 7a_100011215328_100011934791 [0,1,0,1,0,0|1,0,1]=4 21495 B13R1.119 FCCCSCCCC1CCCC1 62a_100011713738_100011934791 [0,1,0,1,0,0|1,0,1]=4 21496 B13R1.119 FCCCSCCCC1CCCC1 62a_100011934791_100011713738 [0,1,0,1,0,0|1,0,1]=4 21497 B13R1.119 ICCCCCOCC1CCCC1 34a_200012148887_100000740388 [0,1,0,1,0,0|1,0,1]=4 21498 B13R1.119 ICCCCCOCC1CCCC1 7a_200012148887_100000740388 [0,1,0,1,0,0|1,0,1]=4 21499 B13R1.119 ICCCCOCCC1CCCC1 34a_200012148704_100000760354 [0,1,0,1,0,0|1,0,1]=4 21500 B13R1.119 N#CCCCCCCN1CCCC1 2230a_100000188435_100009813337 [0,1,0,1,0,0|1,0,1]=4 21501 B13R1.119 N#CCCCCCCN1CCCC1 269982a_100000188435_100009813337 [0,1,0,1,0,0|1,0,1]=4 21502 B13R1.119 N#CCCCCCNC1CCCC1 2230a_100000211070_100009813376 [0,1,0,1,0,0|1,0,1]=4 21503 B13R1.119 N#CCCCCCNC1CCCC1 270004a_100000061152_100000210133 [0,1,0,1,0,0|1,0,1]=4 21504 B13R1.119 N#CCCCCCOC1CCCC1 7a_100000210269_100009813376 [0,1,0,1,0,0|1,0,1]=4 21505 B13R1.119 N#CCCCCCSC1CCCC1 62a_100009813376_100000179811 [0,1,0,1,0,0|1,0,1]=4 21506 B13R1.119 N#CCCCCCSC1CCCC1 62a_100011217020_100009813376 [0,1,0,1,0,0|1,0,1]=4 21507 B13R1.119 N#CCCCCNCC1CCCC1 2230a_100000737975_100000211819 [0,1,0,1,0,0|1,0,1]=4 21508 B13R1.119 N#CCCCCOCC1CCCC1 7a_100000742336_100000211819 [0,1,0,1,0,0|1,0,1]=4 21509 B13R1.119 N#CCCCCSCC1CCCC1 62a_100000740388_100000211819 [0,1,0,1,0,0|1,0,1]=4 21510 B13R1.119 N#CCCCCSCC1CCCC1 62a_100011219923_100000740388 [0,1,0,1,0,0|1,0,1]=4 21511 B13R1.119 N#CCCCNCCC1CCCC1 2230a_100000739158_100000687738 [0,1,0,1,0,0|1,0,1]=4 21512 B13R1.119 N#CCCCOCCC1CCCC1 7a_100000749090_100000687738 [0,1,0,1,0,0|1,0,1]=4 21513 B13R1.119 N#CCCCSCCC1CCCC1 62a_100000687738_100000760354 [0,1,0,1,0,0|1,0,1]=4 21514 B13R1.119 N#CCCCSCCC1CCCC1 62a_100000760354_100000687738 [0,1,0,1,0,0|1,0,1]=4 21515 B13R1.119 N#CCCNCCCC1CCCC1 2230a_100000736752_100011215226 [0,1,0,1,0,0|1,0,1]=4 21516 B13R1.119 N#CCCOCCCC1CCCC1 7a_100011215328_100000184422 [0,1,0,1,0,0|1,0,1]=4 21517 B13R1.119 N#CCCSCCCC1CCCC1 62a_100011215226_100011713738 [0,1,0,1,0,0|1,0,1]=4 21518 B13R1.119 N#CCCSCCCC1CCCC1 62a_100011713738_100011215226 [0,1,0,1,0,0|1,0,1]=4 21519 B13R1.119 NCCCCCCOC1CCCC1 34a_100000686447_100000179811 [0,1,0,1,0,0|1,0,1]=4 21520 B13R1.119 NCCCCCOCC1CCCC1 34a_100000762737_100000740388 [0,1,0,1,0,0|1,0,1]=4 21521 B13R1.119 NCCCCOCCC1CCCC1 34a_100000750430_100000760354 [0,1,0,1,0,0|1,0,1]=4 21522 B13R1.119 NCCCOCCCC1CCCC1 34a_100000182051_100011713738 [0,1,0,1,0,0|1,0,1]=4 21523 B13R1.119 NOCCOCCCC1CCCC1 34a_100000700252_100011713738 [0,1,0,1,0,0|2,0,0]=4 21524 B13R1.119 O=CCCCCCNC1CC=CC1 2230a_100015188752_100000139337 [0,1,0,1,0,0|0,0,2]=4 21525 B13R1.119 O=CCCCCCNC1CCCC1 2230a_100000211070_100000139337 [0,1,0,1,0,0|0,0,0]=2 21526 B13R1.119 O=CCCCCCN[C@@H]1CCOC1 2230a_200015188469_100000139337 [0,1,0,1,0,0|1,0,0]=3 21527 B13R1.119 O=CCCCCCN[C@H]1CCOC1 2230a_100015188467_100000139337 [0,1,0,1,0,0|1,0,0]=3 21528 B13R1.119 O=CCCCCCOC1CCCC1 7a_100000210269_100000139337 [0,1,0,1,0,0|0,0,0]=2 21529 B13R1.119 O=CCCCCCOC1CCSC1 7a_100011232664_100000139337 [0,1,0,1,0,0|1,0,0]=3 21530 B13R1.119 O=CCCCCCSC1CCCC1 62a_100000139337_100000179811 [0,1,0,1,0,0|0,0,0]=2 21531 B13R1.119 O=CCCCCCSC1CCCC1 62a_100011217020_100000139337 [0,1,0,1,0,0|0,0,0]=2 21532 B13R1.119 O=CCCCCCSC1CCOC1 62a_100000139337_100000690089 [0,1,0,1,0,0|1,0,0]=3 21533 B13R1.119 O=CCCCCNCC1CCCC1 2230a_100000737975_100000139335 [0,1,0,1,0,0|0,0,0]=2 21534 B13R1.119 O=CCCCCNCC1CCOC1 2230a_100000737293_100000139335 [0,1,0,1,0,0|1,0,0]=3 21535 B13R1.119 O=CCCCCNCC1OCCO1 2230a_100000036311_100000139335 [0,1,0,1,0,0|2,0,0]=4 21536 B13R1.119 O=CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000139335 [0,1,0,1,0,0|1,0,0]=3 21537 B13R1.119 O=CCCCCOCC1CCCC1 7a_100000742336_100000139335 [0,1,0,1,0,0|0,0,0]=2 21538 B13R1.119 O=CCCCCOCC1CCCO1 7a_100000210270_100000139335 [0,1,0,1,0,0|1,0,0]=3 21539 B13R1.119 O=CCCCCSCC1CCCC1 62a_100000139335_100000740388 [0,1,0,1,0,0|0,0,0]=2 21540 B13R1.119 O=CCCCCSCC1CCCC1 62a_100000740388_100000139335 [0,1,0,1,0,0|0,0,0]=2 21541 B13R1.119 O=CCCCCSCC1CCCO1 62a_100000139335_100000203698 [0,1,0,1,0,0|1,0,0]=3 21542 B13R1.119 O=CCCCCSCC1CCCO1 62a_100000203698_100000139335 [0,1,0,1,0,0|1,0,0]=3 21543 B13R1.119 O=CCCCCSCC1CCOC1 62a_100000139335_100000702531 [0,1,0,1,0,0|1,0,0]=3 21544 B13R1.119 O=CCCCCSCC1CCOC1 62a_100000702531_100000139335 [0,1,0,1,0,0|1,0,0]=3 21545 B13R1.119 O=CCCCCSCC1OCCO1 62a_100000139335_100000755774 [0,1,0,1,0,0|2,0,0]=4 21546 B13R1.119 O=CCCCCSCC1OCCO1 62a_100000755774_100000139335 [0,1,0,1,0,0|2,0,0]=4 21547 B13R1.119 O=CCCCNCCC1CCCC1 2230a_100000739158_200011292268 [0,1,0,1,0,0|0,0,0]=2 21548 B13R1.119 O=CCCCNCCC1OCCO1 2230a_100000034215_200011292268 [0,1,0,1,0,0|2,0,0]=4 21549 B13R1.119 O=CCCCOCCC1CCCC1 7a_100000749090_200011292268 [0,1,0,1,0,0|0,0,0]=2 21550 B13R1.119 O=CCCCSCCC1CCCC1 62a_100000760354_200011292268 [0,1,0,1,0,0|0,0,0]=2 21551 B13R1.119 O=CCCCSCCC1CCCC1 62a_200011292268_100000760354 [0,1,0,1,0,0|0,0,0]=2 21552 B13R1.119 O=CCCCSCCC1OCCO1 62a_200011292268_100000740749 [0,1,0,1,0,0|2,0,0]=4 21553 B13R1.119 O=CCCCSCCN1CCCC1 62a_100000700749_200011292268 [0,1,0,1,0,0|1,0,0]=3 21554 B13R1.119 O=CCCCSCCN1CCCC1 62a_200011292268_100000004467 [0,1,0,1,0,0|1,0,0]=3 21555 B13R1.119 O=CCNCCCOC1CCCC1 34a_100000747560_200009817547 [0,1,0,1,0,0|1,0,0]=3 21556 B13R1.119 O=CCSCCCCC1OCCO1 62a_200015260668_100000034956 [0,1,0,1,0,0|2,0,0]=4 21557 B13R1.119 OCCCCCCCN1CCCC1 2230a_100000188435_100000760002 [0,1,0,1,0,0|0,0,2]=4 21558 B13R1.119 OCCCCCCCN1CCCC1 269982a_100000188435_100000760002 [0,1,0,1,0,0|0,0,2]=4 21559 B13R1.119 OCCCCCCNC1CCCC1 2230a_100000211070_100000766143 [0,1,0,1,0,0|0,0,2]=4 21560 B13R1.119 OCCCCCCNC1CCCC1 2230a_100000686447_100000179811 [0,1,0,1,0,0|0,0,2]=4 21561 B13R1.119 OCCCCCCNC1CCCC1 270004a_100000686447_100000210133 [0,1,0,1,0,0|0,0,2]=4 21562 B13R1.119 OCCCCCCNC1CCCC1 34a_100000211070_100000766143 [0,1,0,1,0,0|0,0,2]=4 21563 B13R1.119 OCCCCCCNC1CCCC1 34a_100000686447_100000179811 [0,1,0,1,0,0|0,0,2]=4 21564 B13R1.119 OCCCCCCOC1CCCC1 34a_100000210269_100000766143 [0,1,0,1,0,0|0,0,2]=4 21565 B13R1.119 OCCCCCCOC1CCCC1 7a_100000210269_100000766143 [0,1,0,1,0,0|0,0,2]=4 21566 B13R1.119 OCCCCCCSC1CCCC1 62a_100000766143_100000179811 [0,1,0,1,0,0|0,0,2]=4 21567 B13R1.119 OCCCCCCSC1CCCC1 62a_100011217020_100000766143 [0,1,0,1,0,0|0,0,2]=4 21568 B13R1.119 OCCCCCNCC1CCCC1 2230a_100000737975_100000746330 [0,1,0,1,0,0|0,0,2]=4 21569 B13R1.119 OCCCCCNCC1CCCC1 2230a_100000762737_100000740388 [0,1,0,1,0,0|0,0,2]=4 21570 B13R1.119 OCCCCCNCC1CCCC1 269862a_100000762737_100000746403 [0,1,0,1,0,0|0,0,2]=4 21571 B13R1.119 OCCCCCNCC1CCCC1 34a_100000737975_100000746330 [0,1,0,1,0,0|0,0,2]=4 21572 B13R1.119 OCCCCCNCC1CCCC1 34a_100000762737_100000740388 [0,1,0,1,0,0|0,0,2]=4 21573 B13R1.119 OCCCCCOCC1CCCC1 34a_100000742336_100000746330 [0,1,0,1,0,0|0,0,2]=4 21574 B13R1.119 OCCCCCOCC1CCCC1 7a_100000742336_100000746330 [0,1,0,1,0,0|0,0,2]=4 21575 B13R1.119 OCCCCCSCC1CCCC1 62a_100000740388_100000746330 [0,1,0,1,0,0|0,0,2]=4 21576 B13R1.119 OCCCCCSCC1CCCC1 62a_100000746330_100000740388 [0,1,0,1,0,0|0,0,2]=4 21577 B13R1.119 OCCCCNCCC1CCCC1 2230a_100000739158_100000210776 [0,1,0,1,0,0|0,0,2]=4 21578 B13R1.119 OCCCCNCCC1CCCC1 2230a_100000750430_100000760354 [0,1,0,1,0,0|0,0,2]=4 21579 B13R1.119 OCCCCNCCC1CCCC1 34a_100000739158_100011216708 [0,1,0,1,0,0|0,0,2]=4 21580 B13R1.119 OCCCCNCCC1CCCC1 34a_100000750430_100000760354 [0,1,0,1,0,0|0,0,2]=4 21581 B13R1.119 OCCCCOCCC1CCCC1 34a_100000749090_100011216708 [0,1,0,1,0,0|0,0,2]=4 21582 B13R1.119 OCCCCOCCC1CCCC1 7a_100000749090_100000210776 [0,1,0,1,0,0|0,0,2]=4 21583 B13R1.119 OCCCCSCCC1CCCC1 62a_100000210776_100000760354 [0,1,0,1,0,0|0,0,2]=4 21584 B13R1.119 OCCCCSCCC1CCCC1 62a_100000760354_100000210776 [0,1,0,1,0,0|0,0,2]=4 21585 B13R1.119 OCCCNCCCC1CCCC1 2230a_100000736752_100000230001 [0,1,0,1,0,0|0,0,2]=4 21586 B13R1.119 OCCCNCCCC1CCCC1 34a_100000736752_100000230001 [0,1,0,1,0,0|0,0,2]=4 21587 B13R1.119 OCCCOCCCC1CCCC1 34a_100011215328_100000230001 [0,1,0,1,0,0|0,0,2]=4 21588 B13R1.119 OCCCOCCCC1CCCC1 7a_100011215328_100011215043 [0,1,0,1,0,0|0,0,2]=4 21589 B13R1.119 OCCCSCCCC1CCCC1 62a_100011215043_100011713738 [0,1,0,1,0,0|0,0,2]=4 21590 B13R1.119 OCCCSCCCC1CCCC1 62a_100011713738_100011215043 [0,1,0,1,0,0|0,0,2]=4 21591 B13R1.190 CCCCCNC1CC(OC1=O)C 2230a_100000209983_200000216747 [0,1,0,1,0,0|2,0,0]=4 21592 B13R1.190 CCCCCOC1CC(OC1=O)C 34a_100000210253_200000216747 [0,1,0,1,0,0|2,0,0]=4 21593 B13R1.190 CCCCCOC1CC(OC1=O)C 7a_100000210253_200000216747 [0,1,0,1,0,0|2,0,0]=4 21594 B13R1.190 CCCCCSC1CC(OC1=O)C 62a_100000210326_200000216747 [0,1,0,1,0,0|2,0,0]=4 21595 B13R1.190 CCCCCSC1CC(OC1=O)C 62a_200000216747_100000210326 [0,1,0,1,0,0|2,0,0]=4 21596 B13R1.208 C=CCN(C)C1CCCC1CCC 270004a_100000225617_100000723119 [0,1,0,1,0,0|2,0,0]=4 21597 B13R1.362 C=C1CC(C1)CNCCCCC=O 2230a_100102567296_100000139335 [0,1,0,1,0,0|1,0,1]=4 21598 B13R1.362 C=C1CC(C1)CNCCCCCC 2230a_100102567296_100000210314 [0,1,0,1,0,0|2,0,0]=4 21599 B13R1.362 C=C1CC(C1)CNCCCCCC 34a_100102567296_100000210314 [0,1,0,1,0,0|2,0,0]=4 21600 B13R1.362 C=C1CC(C1)COCCCCCC 34a_100011011225_100000210314 [0,1,0,1,0,0|2,0,0]=4 21601 B13R1.362 C=C1CC(C1)NCCCCCC=O 2230a_100132301982_100000139337 [0,1,0,1,0,0|1,0,1]=4 21602 B13R1.362 C=C1CC(C1)NCCCCCCC 2230a_100132301982_100000210681 [0,1,0,1,0,0|2,0,0]=4 21603 B13R1.362 C=CCCCCCCN1CC(C1)C 2230a_100000702820_100011215473 [0,1,0,1,0,0|2,0,0]=4 21604 B13R1.362 C=CCCCCCCN1CC(C1)C 269982a_100000702820_100011215473 [0,1,0,1,0,0|2,0,0]=4 21605 B13R1.362 C=CCCCCCCN1CC(C1)C 34a_100000702820_100011215473 [0,1,0,1,0,0|2,0,0]=4 21606 B13R1.362 C=CCCCCCCN1CC(C1)F 2230a_100000690557_100011215473 [0,1,0,1,0,0|2,0,0]=4 21607 B13R1.362 C=CCCCCCCN1CC(C1)F 269982a_100000690557_100011215473 [0,1,0,1,0,0|2,0,0]=4 21608 B13R1.362 C=CCCCCCCN1CC(C1)F 34a_100000690557_100011215473 [0,1,0,1,0,0|2,0,0]=4 21609 B13R1.362 C=CCCCCCCN1CC(C1)O 269982a_100000749847_100011215473 [0,1,0,1,0,0|2,0,0]=4 21610 B13R1.362 C=CCCCCCNC1CC(C1)F 2230a_100016993743_100000700193 [0,1,0,1,0,0|2,0,0]=4 21611 B13R1.362 C=CCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000700193 [0,1,0,1,0,0|2,0,0]=4 21612 B13R1.362 C=CCCCCNCC1CC(C1)O 2230a_100016992100_100011215482 [0,1,0,1,0,0|2,0,0]=4 21613 B13R1.362 C=CCCCCOCC1CC(C1)Cl 34a_100009874164_100011215482 [0,1,0,1,0,0|2,0,0]=4 21614 B13R1.362 CCCCCCCSC1CC(=O)C1 62a_100009894365_100000210316 [0,1,0,1,0,0|1,0,0]=3 21615 B13R1.362 CCCCCCNCC1CC(=O)C1 2230a_100000210581_100009874392 [0,1,0,1,0,0|1,0,0]=3 21616 B13R1.362 CCCCCCOCC1CC(=O)C1 34a_100000101936_100000210314 [0,1,0,1,0,0|1,0,0]=3 21617 B13R1.362 CCCCCCOCC1CC(=O)C1 7a_100000210259_100009874392 [0,1,0,1,0,0|1,0,0]=3 21618 B13R1.362 CCCCCCSCC1CC(=O)C1 62a_100000210314_100009874392 [0,1,0,1,0,0|1,0,0]=3 21619 B13R1.362 CCCCCCSCC1CC(=O)C1 62a_100009874392_100000210757 [0,1,0,1,0,0|1,0,0]=3 21620 B13R1.362 CCCCOCCSC1CC(=O)C1 62a_100009894365_100000743108 [0,1,0,1,0,0|2,0,0]=4 21621 B13R1.362 CCCCOCOCC1CC(=O)C1 34a_100000101936_100011995733 [0,1,0,1,0,0|2,0,0]=4 21622 B13R1.362 CCCCOCSCC1CC(=O)C1 62a_100009874392_100011995733 [0,1,0,1,0,0|2,0,0]=4 21623 B13R1.362 CCCCOCSCC1CC(=O)C1 62a_100011995733_100009874392 [0,1,0,1,0,0|2,0,0]=4 21624 B13R1.362 CCCOCCNCC1CC(=O)C1 2230a_100161115042_100009874392 [0,1,0,1,0,0|2,0,0]=4 21625 B13R1.362 CCCOCCOCC1CC(=O)C1 34a_100000101936_100011215938 [0,1,0,1,0,0|2,0,0]=4 21626 B13R1.362 CCCOCCOCC1CC(=O)C1 7a_100000752267_100009874392 [0,1,0,1,0,0|2,0,0]=4 21627 B13R1.362 CCCOCCSCC1CC(=O)C1 62a_100009874392_100011215938 [0,1,0,1,0,0|2,0,0]=4 21628 B13R1.362 CCCOCCSCC1CC(=O)C1 62a_100011215938_100009874392 [0,1,0,1,0,0|2,0,0]=4 21629 B13R1.362 CCCSCCNCC1CC(=O)C1 2230a_100020603323_100009874392 [0,1,0,1,0,0|2,0,0]=4 21630 B13R1.362 CCCSCCOCC1CC(=O)C1 7a_200000230433_100009874392 [0,1,0,1,0,0|2,0,0]=4 21631 B13R1.362 CCOCCCNCC1CC(=O)C1 2230a_100000210961_100009874392 [0,1,0,1,0,0|2,0,0]=4 21632 B13R1.362 CCOCCCOCC1CC(=O)C1 34a_100000101936_100012232248 [0,1,0,1,0,0|2,0,0]=4 21633 B13R1.362 CCOCCCOCC1CC(=O)C1 7a_100000757476_100009874392 [0,1,0,1,0,0|2,0,0]=4 21634 B13R1.362 CCOCCCSCC1CC(=O)C1 62a_100009874392_100012232248 [0,1,0,1,0,0|2,0,0]=4 21635 B13R1.362 CCOCCCSCC1CC(=O)C1 62a_100012232248_100009874392 [0,1,0,1,0,0|2,0,0]=4 21636 B13R1.362 CCSCCCOCC1CC(=O)C1 7a_100011216438_100009874392 [0,1,0,1,0,0|2,0,0]=4 21637 B13R1.362 COCCCCOCC1CC(=O)C1 34a_100000101936_100000755781 [0,1,0,1,0,0|2,0,0]=4 21638 B13R1.362 COCCCCSCC1CC(=O)C1 62a_100000730899_100009874392 [0,1,0,1,0,0|2,0,0]=4 21639 B13R1.362 COCCCCSCC1CC(=O)C1 62a_100009874392_100000730899 [0,1,0,1,0,0|2,0,0]=4 21640 B13R1.362 CSCCCCOCC1CC(=O)C1 7a_100011217163_100009874392 [0,1,0,1,0,0|2,0,0]=4 21641 B13R1.362 O=C1CC(C1)CNCCCCCO 2230a_100000762737_100009874392 [0,1,0,1,0,0|2,0,0]=4 21642 B13R1.362 O=C1CC(C1)COCCCCCBr 7a_100000746331_100009874392 [0,1,0,1,0,0|2,0,0]=4 21643 B13R1.362 O=C1CC(C1)COCCCCCCl 7a_100000746330_100009874392 [0,1,0,1,0,0|2,0,0]=4 21644 B13R1.362 O=C1CC(C1)COCCCCCF 34a_100000101936_100000729378 [0,1,0,1,0,0|2,0,0]=4 21645 B13R1.362 O=C1CC(C1)COCCCCCI 7a_200012148887_100009874392 [0,1,0,1,0,0|2,0,0]=4 21646 B13R1.362 O=C1CC(C1)COCCCCCO 34a_100000101936_100000746330 [0,1,0,1,0,0|2,0,0]=4 21647 B13R1.362 O=C1CC(C1)CSCCCCCF 62a_100000729378_100009874392 [0,1,0,1,0,0|2,0,0]=4 21648 B13R1.362 O=C1CC(C1)CSCCCCCF 62a_100009874392_100000729378 [0,1,0,1,0,0|2,0,0]=4 21649 B13R1.362 O=C1CC(C1)CSCCCCCO 62a_100000746330_100009874392 [0,1,0,1,0,0|2,0,0]=4 21650 B13R1.362 O=C1CC(C1)CSCCCCCO 62a_100009874392_100000746330 [0,1,0,1,0,0|2,0,0]=4 21651 B13R1.362 O=C1CC(C1)SCCCCCCF 62a_100009894365_100015922095 [0,1,0,1,0,0|2,0,0]=4 21652 B13R1.362 O=C1CC(C1)SCCCCCCO 62a_100009894365_100000766143 [0,1,0,1,0,0|2,0,0]=4 21653 B13R1.362 O=CCCCCCNC1CC(C1)F 2230a_100016993743_100000139337 [0,1,0,1,0,0|1,0,0]=3 21654 B13R1.362 O=CCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000139337 [0,1,0,1,0,0|1,0,0]=3 21655 B13R1.362 O=CCCCCCSC1CC(=O)C1 62a_100009894365_100000139337 [0,1,0,1,0,0|1,0,1]=4 21656 B13R1.362 O=CCCCCNCC1CC(C1)O 2230a_100016992100_100000139335 [0,1,0,1,0,0|1,0,0]=3 21657 B13R1.362 O=CCCCCSCC1CC(=O)C1 62a_100000139335_100009874392 [0,1,0,1,0,0|1,0,1]=4 21658 B13R1.362 O=CCCCCSCC1CC(=O)C1 62a_100009874392_100000139335 [0,1,0,1,0,0|1,0,1]=4 21659 B13R1.369 C=CCCOC1CCC(CC1C)C 34a_100011539931_100000754431 [0,1,0,1,0,0|2,0,0]=4 21660 B13R1.369 C=CCCOC1CCC(CC1C)C 7a_100011539931_100000754431 [0,1,0,1,0,0|2,0,0]=4 21661 B13R1.369 C[C@H]1CN(CCN1CCCC=O)C 2230a_100012002466_200011292268 [0,1,0,1,0,0|2,0,0]=4 21662 B13R1.369 C[C@H]1CN(CCN1CCCC=O)C 269982a_100012002466_200011292268 [0,1,0,1,0,0|2,0,0]=4 21663 B13R1.404 C=CCC(=O)CCCC1CCCC1 1458a_100000210193_100011713738 [0,1,0,1,0,0|1,0,1]=4 21664 B13R1.404 C=CCC(C)COCC1CCCC1 34a_100009832082_100000740388 [0,1,0,1,0,0|2,0,0]=4 21665 B13R1.404 C=CCC(C)COCC1CCCC1 7a_100009832082_100000740388 [0,1,0,1,0,0|2,0,0]=4 21666 B13R1.404 C=CCN(C)CCCC1CCCC1 2230a_100000225617_100011713738 [0,1,0,1,0,0|2,0,0]=4 21667 B13R1.404 C=CCN(C)CCCC1CCCC1 2230a_100015186261_100000210623 [0,1,0,1,0,0|2,0,0]=4 21668 B13R1.404 C=CCN(C)CCCC1CCCC1 269982a_100000225617_100011713738 [0,1,0,1,0,0|2,0,0]=4 21669 B13R1.404 C=CCN(C)CCCC1CCCC1 269982a_100015186261_100000210623 [0,1,0,1,0,0|2,0,0]=4 21670 B13R1.404 C=CCN(C)CCCC1CCCC1 34a_100015186261_100015514636 [0,1,0,1,0,0|2,0,0]=4 21671 B13R1.404 C=CC[C@@H](C)OCCC1CCCC1 34a_100000731007_100000760354 [0,1,0,1,0,0|2,0,0]=4 21672 B13R1.404 C=CC[C@@H](C)OCCC1CCCC1 7a_100000731007_100000760354 [0,1,0,1,0,0|2,0,0]=4 21673 B13R1.404 C=CC[C@@H](N)COCC1CCCC1 34a_100020615467_100000740388 [0,1,0,1,0,0|2,0,0]=4 21674 B13R1.404 CN(CC=O)CCCC1CCCC1 2230a_100015186261_200015260668 [0,1,0,1,0,0|1,0,0]=3 21675 B13R1.404 CN(CC=O)CCCC1CCCC1 269982a_100015186261_200015260668 [0,1,0,1,0,0|1,0,0]=3 21676 B13R1.404 CN(CC=O)CCCC1CCCC1 34a_100015186261_200009817547 [0,1,0,1,0,0|1,0,0]=3 21677 B13R1.404 CN(CC=O)CCCC1CCCO1 2230a_100011698863_200015260668 [0,1,0,1,0,0|2,0,0]=4 21678 B13R1.404 CN(CC=O)CCCC1CCCO1 269982a_100011698863_200015260668 [0,1,0,1,0,0|2,0,0]=4 21679 B13R1.404 CN(CC=O)CCCC1CCCO1 34a_100011698863_200009817547 [0,1,0,1,0,0|2,0,0]=4 21680 B13R1.404 CN(CC=O)CCCN1CCCC1 269982a_100000233079_200015260668 [0,1,0,1,0,0|2,0,0]=4 21681 B13R1.444 CC(CCN)COC1CCCC1=O 34a_106354213184_100000709159 [0,1,0,1,0,0|2,0,0]=4 21682 B13R1.444 CCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210303 [0,1,0,1,0,0|1,0,1]=4 21683 B13R1.444 CCCC(=O)CCN1CCCC1=O 1458a_100000211992_100000742232 [0,1,0,1,0,0|1,0,1]=4 21684 B13R1.444 CCCC(=O)CCN1CCCC1=O 1458a_100000751031_100000210303 [0,1,0,1,0,0|1,0,1]=4 21685 B13R1.444 CCCC(=O)CSC1CCCC1=O 62a_100000211823_100000747444 [0,1,0,1,0,0|1,0,1]=4 21686 B13R1.444 CCCC(=O)CSC1CCCC1=O 62a_100000747444_100000211823 [0,1,0,1,0,0|1,0,1]=4 21687 B13R1.444 CCCC(C)CNC1CCNC1=O 2230a_100016995588_100011216630 [0,1,0,1,0,0|2,0,0]=4 21688 B13R1.444 CCCC(C)CNC1CCNC1=O 270004a_100016995588_100000243154 [0,1,0,1,0,0|2,0,0]=4 21689 B13R1.444 CCCC(C)CNC1CCNC1=O 34a_100016995588_100011216630 [0,1,0,1,0,0|2,0,0]=4 21690 B13R1.444 CCCC(C)COC1CCCC1=O 34a_100000688023_100000709159 [0,1,0,1,0,0|1,0,0]=3 21691 B13R1.444 CCCC(C)COC1CCCC1=O 34a_200000719330_100011216630 [0,1,0,1,0,0|1,0,0]=3 21692 B13R1.444 CCCC(C)COC1CCCC1=O 7a_100000688023_100000211823 [0,1,0,1,0,0|1,0,0]=3 21693 B13R1.444 CCCC(C)COC1CCOC1=O 34a_100000688023_100000211211 [0,1,0,1,0,0|2,0,0]=4 21694 B13R1.444 CCCC(C)COC1CCOC1=O 7a_100000688023_100000211211 [0,1,0,1,0,0|2,0,0]=4 21695 B13R1.444 CCCC(C)CO[C@H]1CCNC1=O 34a_100000688343_100011216630 [0,1,0,1,0,0|2,0,0]=4 21696 B13R1.444 CCCC(C)CSC1CCCC1=O 62a_100000211823_100011216630 [0,1,0,1,0,0|1,0,0]=3 21697 B13R1.444 CCCC(C)CSC1CCCC1=O 62a_100011216630_100000211823 [0,1,0,1,0,0|1,0,0]=3 21698 B13R1.444 CCCC(C)CSC1CCOC1=O 62a_100000211211_100011216630 [0,1,0,1,0,0|2,0,0]=4 21699 B13R1.444 CCCC(C)CSC1CCOC1=O 62a_100011216630_100000211211 [0,1,0,1,0,0|2,0,0]=4 21700 B13R1.444 CCCC(C)OCC1CCNC1=O 34a_100000133458_100000766640 [0,1,0,1,0,0|2,0,0]=4 21701 B13R1.444 CCCC(C)SCN1CCCC1=O 62a_100000026320_100000766640 [0,1,0,1,0,0|2,0,0]=4 21702 B13R1.444 CCCC(C)SCN1CCCC1=O 62a_100000766640_100000026320 [0,1,0,1,0,0|2,0,0]=4 21703 B13R1.444 CCCN(C)CCN1CCCC1=O 2230a_100000747261_100000739059 [0,1,0,1,0,0|2,0,0]=4 21704 B13R1.444 CCCN(C)CCN1CCCC1=O 269982a_100000747261_100000739059 [0,1,0,1,0,0|2,0,0]=4 21705 B13R1.444 CCC[C@H](N)COC1CCCC1=O 34a_100000732646_100000709159 [0,1,0,1,0,0|1,0,0]=3 21706 B13R1.444 CCC[C@H](N)COC1CCOC1=O 34a_100000732646_100000211211 [0,1,0,1,0,0|2,0,0]=4 21707 B13R1.444 COCC(N)COC1CCCC1=O 34a_100000724102_100000709159 [0,1,0,1,0,0|2,0,0]=4 21708 B13R1.444 COCC(O)CNC1CCCC1=O 2230a_100000756049_100000211823 [0,1,0,1,0,0|2,0,0]=4 21709 B13R1.444 COCC(O)CNC1CCCC1=O 34a_100000756049_100000709159 [0,1,0,1,0,0|2,0,0]=4 21710 B13R1.444 COCC(O)COC1CCCC1=O 34a_200000719330_100011215053 [0,1,0,1,0,0|2,0,0]=4 21711 B13R1.444 COCC(O)CSC1CCCC1=O 62a_100000211823_100011215053 [0,1,0,1,0,0|2,0,0]=4 21712 B13R1.444 COCC(O)CSC1CCCC1=O 62a_100011215053_100000211823 [0,1,0,1,0,0|2,0,0]=4 21713 B13R1.461 CC(CCO)SCCC1CCC1=O 62a_100009893172_200016118888 [0,1,0,1,0,0|2,0,0]=4 21714 B13R1.461 CC(CCO)SCCC1CCC1=O 62a_200016118888_100009893172 [0,1,0,1,0,0|2,0,0]=4 21715 B13R1.461 CCCC(C)CCOC1CCC1=O 34a_100011217855_100009892977 [0,1,0,1,0,0|1,0,0]=3 21716 B13R1.461 CCCC(C)CCOC1CCC1=O 7a_100011217855_100009892977 [0,1,0,1,0,0|1,0,0]=3 21717 B13R1.461 CCCC(C)NCCC1CCC1=O 2230a_100000741246_200016118888 [0,1,0,1,0,0|1,0,0]=3 21718 B13R1.461 CCCC(C)OCCC1CCC1=O 7a_100000764384_200016118888 [0,1,0,1,0,0|1,0,0]=3 21719 B13R1.461 CCCC(C)SCCC1CCC1=O 62a_100000766640_200016118888 [0,1,0,1,0,0|1,0,0]=3 21720 B13R1.461 CCCC(C)SCCC1CCC1=O 62a_200016118888_100000766640 [0,1,0,1,0,0|1,0,0]=3 21721 B13R1.461 CCC[C@H](N)CCOC1CCC1=O 34a_100015193777_100009892977 [0,1,0,1,0,0|1,0,0]=3 21722 B13R1.461 COCC(C)SCCC1CCC1=O 62a_100000765312_200016118888 [0,1,0,1,0,0|2,0,0]=4 21723 B13R1.461 COCC(C)SCCC1CCC1=O 62a_200016118888_100000765312 [0,1,0,1,0,0|2,0,0]=4 21724 B13R1.461 COC[C@@H](C)NCCC1CCC1=O 2230a_100000764878_200016118888 [0,1,0,1,0,0|2,0,0]=4 21725 B13R1.461 C[C@H](CCO)NCCC1CCC1=O 2230a_100000706166_200016118888 [0,1,0,1,0,0|2,0,0]=4 21726 B13R1.463 CCCC(=O)C1CCCCCC1=O 1458a_100000211992_100000243696 [0,1,0,1,0,0|0,0,1]=3 21727 B13R1.463 CCCC(=O)C1CCCCNC1=O 1458a_100000211992_100000735217 [0,1,0,1,0,0|1,0,1]=4 21728 B13R1.463 CCCN(C)C1CCCCCC1=O 269982a_100000747261_100000243696 [0,1,0,1,0,0|1,0,0]=3 21729 B13R1.463 CCCN(C)C1CCCCNC1=O 2230a_100000747261_100000735217 [0,1,0,1,0,0|2,0,0]=4 21730 B13R1.463 CCCN(C)C1CCCCNC1=O 269982a_100000747261_100000735217 [0,1,0,1,0,0|2,0,0]=4 21731 B13R1.463 CN(CCO)C1CCCCCC1=O 269982a_100000210263_100000243696 [0,1,0,1,0,0|2,0,0]=4 21732 B13R1.463 COCC(=O)C1CCCCCC1=O 1458a_100000210968_100000243696 [0,1,0,1,0,0|1,0,1]=4 21733 B13R1.463 CSCC(=O)C1CCCCCC1=O 1458a_100000184570_100000243696 [0,1,0,1,0,0|1,0,1]=4 21734 B13R1.463 O=C(CCO)C1CCCCCC1=O 1458a_100011216618_100000243696 [0,1,0,1,0,0|1,0,1]=4 21735 B13R1.464 C=CCN(C)C1CCCCC1CC 270004a_100000225617_100000757040 [0,1,0,1,0,0|2,0,0]=4 21736 B13R1.470 CC(CCBr)OC1CCCCC1=O 34a_100012276601_100000754470 [0,1,0,1,0,0|2,0,0]=4 21737 B13R1.470 CC(CCO)OC1CCCCC1=O 34a_100011214950_100009893172 [0,1,0,1,0,0|2,0,0]=4 21738 B13R1.470 CC(CCO)SC1CCCCC1=O 62a_100000204591_100009893172 [0,1,0,1,0,0|2,0,0]=4 21739 B13R1.470 CC(CCO)SC1CCCCC1=O 62a_100009893172_100000204591 [0,1,0,1,0,0|2,0,0]=4 21740 B13R1.470 CCCC(C)NC1CCCNC1=O 2230a_100000741246_100000687798 [0,1,0,1,0,0|2,0,0]=4 21741 B13R1.470 CCCC(C)NC1CCCNC1=O 2230a_100000747585_100000766640 [0,1,0,1,0,0|2,0,0]=4 21742 B13R1.470 CCCC(C)NC1CCCNC1=O 270004a_100000747585_100000211909 [0,1,0,1,0,0|2,0,0]=4 21743 B13R1.470 CCCC(C)NC1CCCNC1=O 34a_100000747585_100000766640 [0,1,0,1,0,0|2,0,0]=4 21744 B13R1.470 CCCC(C)OC1CCCCC1=O 34a_100000764384_100000754470 [0,1,0,1,0,0|1,0,0]=3 21745 B13R1.470 CCCC(C)OC1CCCCC1=O 34a_100011214950_100000766640 [0,1,0,1,0,0|1,0,0]=3 21746 B13R1.470 CCCC(C)OC1CCCCC1=O 7a_100000764384_100000204591 [0,1,0,1,0,0|1,0,0]=3 21747 B13R1.470 CCCC(C)OC1CCCNC1=O 34a_100000073722_100000766640 [0,1,0,1,0,0|2,0,0]=4 21748 B13R1.470 CCCC(C)OC1CCCNC1=O 34a_100000764384_100000687798 [0,1,0,1,0,0|2,0,0]=4 21749 B13R1.470 CCCC(C)OC1CCCNC1=O 7a_100000764384_100000687798 [0,1,0,1,0,0|2,0,0]=4 21750 B13R1.470 CCCC(C)OC1COCCC1=O 34a_100000764384_100012180262 [0,1,0,1,0,0|2,0,0]=4 21751 B13R1.470 CCCC(C)OC1COCCC1=O 7a_100000764384_100012180262 [0,1,0,1,0,0|2,0,0]=4 21752 B13R1.470 CCCC(C)SC1CCCCC1=O 62a_100000204591_100000766640 [0,1,0,1,0,0|1,0,0]=3 21753 B13R1.470 CCCC(C)SC1CCCCC1=O 62a_100000766640_100000204591 [0,1,0,1,0,0|1,0,0]=3 21754 B13R1.470 CCCC(C)SC1CCCNC1=O 62a_100000687798_100000766640 [0,1,0,1,0,0|2,0,0]=4 21755 B13R1.470 CCCC(C)SC1CCCNC1=O 62a_100000766640_100000687798 [0,1,0,1,0,0|2,0,0]=4 21756 B13R1.470 CCCC(C)SC1COCCC1=O 62a_100000766640_100012180262 [0,1,0,1,0,0|2,0,0]=4 21757 B13R1.470 CCCC(C)SC1COCCC1=O 62a_100012180262_100000766640 [0,1,0,1,0,0|2,0,0]=4 21758 B13R1.470 CN(CC=O)CC1CCCCN1C 2230a_100015185953_200015260668 [0,1,0,1,0,0|2,0,0]=4 21759 B13R1.470 CN(CC=O)CC1CCCCN1C 269982a_100015185953_200015260668 [0,1,0,1,0,0|2,0,0]=4 21760 B13R1.470 COCC(C)OC1CCCCC1=O 34a_100011214950_100000765312 [0,1,0,1,0,0|2,0,0]=4 21761 B13R1.470 COCC(C)SC1CCCCC1=O 62a_100000204591_100000765312 [0,1,0,1,0,0|2,0,0]=4 21762 B13R1.470 COCC(C)SC1CCCCC1=O 62a_100000765312_100000204591 [0,1,0,1,0,0|2,0,0]=4 21763 B13R1.470 COC[C@@H](C)OC1CCCCC1=O 34a_100011934205_100000754470 [0,1,0,1,0,0|2,0,0]=4 21764 B13R1.470 C[C@H](CCO)NC1CCCCC1=O 34a_100000706166_100000754470 [0,1,0,1,0,0|2,0,0]=4 21765 B13R1.567 CCCN1CCCC(C1)NCC=O 2230a_100011435248_200015260668 [0,1,0,1,0,0|2,0,0]=4 21766 B13R1.567 CCCOC1CCCN(C1)CC=O 2230a_100000743837_200015260668 [0,1,0,1,0,0|2,0,0]=4 21767 B13R1.567 CCCOC1CCCN(C1)CC=O 269982a_100000743837_200015260668 [0,1,0,1,0,0|2,0,0]=4 21768 B13R1.567 CCCOC1CCCN(C1)CC=O 34a_100000743837_200009817547 [0,1,0,1,0,0|2,0,0]=4 21769 B13R1.567 COCCC1CCCN(C1)CC=O 2230a_100011653411_200015260668 [0,1,0,1,0,0|2,0,0]=4 21770 B13R1.567 COCCC1CCCN(C1)CC=O 269982a_100011653411_200015260668 [0,1,0,1,0,0|2,0,0]=4 21771 B13R1.567 COCCC1CCCN(C1)CC=O 34a_100011653411_200009817547 [0,1,0,1,0,0|2,0,0]=4 21772 B13R1.567 O=CCN1CCCC(C1)CCCO 2230a_100150707839_200015260668 [0,1,0,1,0,0|2,0,0]=4 21773 B13R1.567 O=CCN1CCCC(C1)CCCO 269982a_100150707839_200015260668 [0,1,0,1,0,0|2,0,0]=4 21774 B13R1.567 O=CCN1CCCC(C1)CCCO 34a_100150707839_200009817547 [0,1,0,1,0,0|2,0,0]=4 21775 B13R1.654 C#CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100012094781 [0,1,0,1,0,0|1,0,1]=4 21776 B13R1.654 C#CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100012094781 [0,1,0,1,0,0|1,0,1]=4 21777 B13R1.654 C#CCCCCCN1CCC[C@H]1C 2230a_100015189458_100012094781 [0,1,0,1,0,0|1,0,1]=4 21778 B13R1.654 C#CCCCCCN1CCC[C@H]1C 269982a_100015189458_100012094781 [0,1,0,1,0,0|1,0,1]=4 21779 B13R1.654 C#CCCCCCN1CCC[C@H]1C 34a_100015189458_100012094781 [0,1,0,1,0,0|1,0,1]=4 21780 B13R1.654 C#CCCCCNC1CCCC1=O 2230a_100000706060_100000211823 [0,1,0,1,0,0|0,0,2]=4 21781 B13R1.654 C#CCCCCNC1CCCC1=O 34a_100000706060_100000709159 [0,1,0,1,0,0|0,0,2]=4 21782 B13R1.654 C#CCCCCOC1CCCC1=O 34a_100000766709_100000709159 [0,1,0,1,0,0|0,0,2]=4 21783 B13R1.654 C#CCCCCOC1CCCC1=O 34a_200000719330_100010269958 [0,1,0,1,0,0|0,0,2]=4 21784 B13R1.654 C#CCCCCOC1CCCC1=O 7a_100000766709_100000211823 [0,1,0,1,0,0|0,0,2]=4 21785 B13R1.654 C#CCCCCOC1CCCC1C 34a_100011216460_100010269958 [0,1,0,1,0,0|1,0,1]=4 21786 B13R1.654 C#CCCCCOC1CCCC1C 7a_100011216460_100010269958 [0,1,0,1,0,0|1,0,1]=4 21787 B13R1.654 C#CCCCCSC1CCCC1=O 62a_100000211823_100010269958 [0,1,0,1,0,0|0,0,2]=4 21788 B13R1.654 C#CCCCCSC1CCCC1=O 62a_100010269958_100000211823 [0,1,0,1,0,0|0,0,2]=4 21789 B13R1.654 C=CCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000700193 [0,1,0,1,0,0|1,0,0]=3 21790 B13R1.654 C=CCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000700193 [0,1,0,1,0,0|1,0,0]=3 21791 B13R1.654 C=CCCCCCN1CCC[C@H]1C 2230a_100015189458_100000700193 [0,1,0,1,0,0|1,0,0]=3 21792 B13R1.654 C=CCCCCCN1CCC[C@H]1C 269982a_100015189458_100000700193 [0,1,0,1,0,0|1,0,0]=3 21793 B13R1.654 C=CCCCCCN1CCC[C@H]1C 34a_100015189458_100000700193 [0,1,0,1,0,0|1,0,0]=3 21794 B13R1.654 C=CCCCCCN1CCSC1C 2230a_200011216479_100000700193 [0,1,0,1,0,0|2,0,0]=4 21795 B13R1.654 C=CCCCCCN1CCSC1C 269982a_200011216479_100000700193 [0,1,0,1,0,0|2,0,0]=4 21796 B13R1.654 C=CCCCCCN1CCSC1C 34a_200011216479_100000700193 [0,1,0,1,0,0|2,0,0]=4 21797 B13R1.654 C=CCCCCNC1CCCC1=O 2230a_100000703577_100000211823 [0,1,0,1,0,0|0,0,2]=4 21798 B13R1.654 C=CCCCCNC1CCCC1=O 34a_100000703577_100000709159 [0,1,0,1,0,0|0,0,2]=4 21799 B13R1.654 C=CCCCCNC1CCCC1C 269862a_100000703577_100000752053 [0,1,0,1,0,0|1,0,0]=3 21800 B13R1.654 C=CCCCCNC1CCOC1C 270004a_100000703577_100000691750 [0,1,0,1,0,0|2,0,0]=4 21801 B13R1.654 C=CCCCCOC1CCCC1=O 34a_100000766645_100000709159 [0,1,0,1,0,0|0,0,2]=4 21802 B13R1.654 C=CCCCCOC1CCCC1=O 34a_200000719330_100011215482 [0,1,0,1,0,0|0,0,2]=4 21803 B13R1.654 C=CCCCCOC1CCCC1=O 7a_100000766645_100000211823 [0,1,0,1,0,0|0,0,2]=4 21804 B13R1.654 C=CCCCCOC1CCCC1C 34a_100011216460_100011215482 [0,1,0,1,0,0|1,0,0]=3 21805 B13R1.654 C=CCCCCOC1CCCC1C 7a_100011216460_100011215482 [0,1,0,1,0,0|1,0,0]=3 21806 B13R1.654 C=CCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011215482 [0,1,0,1,0,0|2,0,0]=4 21807 B13R1.654 C=CCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100011215482 [0,1,0,1,0,0|2,0,0]=4 21808 B13R1.654 C=CCCCCO[C@H]1CNC[C@H]1C 34a_200015306588_100011215482 [0,1,0,1,0,0|2,0,0]=4 21809 B13R1.654 C=CCCCCSC1CCCC1=O 62a_100000211823_100011215482 [0,1,0,1,0,0|0,0,2]=4 21810 B13R1.654 C=CCCCCSC1CCCC1=O 62a_100011215482_100000211823 [0,1,0,1,0,0|0,0,2]=4 21811 B13R1.654 C=CCCCCS[C@@H]1CCC[C@H]1O 62a_100011215482_200016002552 [0,1,0,1,0,0|2,0,0]=4 21812 B13R1.654 C=CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215482 [0,1,0,1,0,0|2,0,0]=4 21813 B13R1.654 C=CCCCOCC1CCCN1C 34a_100000743107_100000757094 [0,1,0,1,0,0|2,0,0]=4 21814 B13R1.654 C=CCCNCCC1CCCN1C 2230a_100015191253_100000005710 [0,1,0,1,0,0|2,0,0]=4 21815 B13R1.654 C=CCCOCCC1CCCN1C 34a_100011205117_100000005710 [0,1,0,1,0,0|2,0,0]=4 21816 B13R1.654 C=CCCOCCC1CCCN1C 34a_100011215177_100000754431 [0,1,0,1,0,0|2,0,0]=4 21817 B13R1.654 C=CCCOCCC1CCCN1C 7a_100011215177_100000754431 [0,1,0,1,0,0|2,0,0]=4 21818 B13R1.654 C=CCCSCCC1CCCN1C 62a_100000005710_100000754431 [0,1,0,1,0,0|2,0,0]=4 21819 B13R1.654 C=CCCSCCC1CCCN1C 62a_100000754431_100000005710 [0,1,0,1,0,0|2,0,0]=4 21820 B13R1.654 C=COCCCNC1CCCC1C 269862a_100000210767_100000752053 [0,1,0,1,0,0|2,0,0]=4 21821 B13R1.654 CC/C=C\CCOC1CCCC1=O 34a_100016288707_100000709159 [0,1,0,1,0,0|0,0,2]=4 21822 B13R1.654 CC/C=C\CCOC1CCCC1=O 34a_200000719330_100015370543 [0,1,0,1,0,0|0,0,2]=4 21823 B13R1.654 CC/C=C\CCOC1CCCC1=O 7a_100016288707_100000211823 [0,1,0,1,0,0|0,0,2]=4 21824 B13R1.654 CC/C=C\CCSC1CCCC1=O 62a_100000211823_100015370543 [0,1,0,1,0,0|0,0,2]=4 21825 B13R1.654 CC/C=C\CCSC1CCCC1=O 62a_100015370543_100000211823 [0,1,0,1,0,0|0,0,2]=4 21826 B13R1.654 CC1CCCC1NCCCCCO 269862a_100000762737_100000752053 [0,1,0,1,0,0|0,0,2]=4 21827 B13R1.654 CC1CCCC1OCCCCC#N 7a_100011216460_100000211819 [0,1,0,1,0,0|1,0,1]=4 21828 B13R1.654 CC1CCCC1OCCCCC=O 7a_100011216460_100000139335 [0,1,0,1,0,0|0,0,0]=2 21829 B13R1.654 CC1CCCC1OCCCCCF 34a_100011216460_100000729378 [0,1,0,1,0,0|1,0,1]=4 21830 B13R1.654 CC1CCCC1OCCCCCF 7a_100011216460_100000729378 [0,1,0,1,0,0|1,0,1]=4 21831 B13R1.654 CC1CCCC1OCCCCCO 34a_100011216460_100000746330 [0,1,0,1,0,0|0,0,2]=4 21832 B13R1.654 CC1CCCC1OCCCCCO 7a_100011216460_100000746330 [0,1,0,1,0,0|0,0,2]=4 21833 B13R1.654 CC1SCCN1CCCCCC=O 2230a_200011216479_100000139337 [0,1,0,1,0,0|1,0,0]=3 21834 B13R1.654 CC1SCCN1CCCCCC=O 269982a_200011216479_100000139337 [0,1,0,1,0,0|1,0,0]=3 21835 B13R1.654 CC=CCCCOC1CCCC1=O 34a_100020645299_100000709159 [0,1,0,1,0,0|0,0,2]=4 21836 B13R1.654 CCC#CCCOC1CCCC1=O 34a_100000036655_100000709159 [0,1,0,1,0,0|0,0,2]=4 21837 B13R1.654 CCC#CCCOC1CCCC1=O 7a_100000036655_100000211823 [0,1,0,1,0,0|0,0,2]=4 21838 B13R1.654 CCC/C=C/COC1CCCC1=O 34a_100016278788_100000709159 [0,1,0,1,0,0|0,0,2]=4 21839 B13R1.654 CCC/C=C/COC1CCCC1=O 7a_100016278788_100000211823 [0,1,0,1,0,0|0,0,2]=4 21840 B13R1.654 CCCC#CCOC1CCCC1=O 34a_100000034806_100000709159 [0,1,0,1,0,0|0,0,2]=4 21841 B13R1.654 CCCC#CCOC1CCCC1=O 7a_100000034806_100000211823 [0,1,0,1,0,0|0,0,2]=4 21842 B13R1.654 CCCCCCCN1CCC[C@@H]1C 2230a_100020605311_100000210681 [0,1,0,1,0,0|1,0,1]=4 21843 B13R1.654 CCCCCCCN1CCC[C@@H]1C 269982a_100020605311_100000210681 [0,1,0,1,0,0|1,0,1]=4 21844 B13R1.654 CCCCCCCN1CCC[C@H]1C 2230a_100015189458_100000210681 [0,1,0,1,0,0|1,0,1]=4 21845 B13R1.654 CCCCCCCN1CCC[C@H]1C 269982a_100015189458_100000210681 [0,1,0,1,0,0|1,0,1]=4 21846 B13R1.654 CCCCCCCN1CCC[C@H]1C 34a_100015189458_100000210614 [0,1,0,1,0,0|1,0,1]=4 21847 B13R1.654 CCCCCCNC1CCCC1=O 2230a_100000210581_100000211823 [0,1,0,1,0,0|0,0,0]=2 21848 B13R1.654 CCCCCCNC1CCCC1C 269862a_100000210581_100000752053 [0,1,0,1,0,0|1,0,1]=4 21849 B13R1.654 CCCCCCNC1CCNC1=O 2230a_100016995588_100000210314 [0,1,0,1,0,0|1,0,0]=3 21850 B13R1.654 CCCCCCNC1CCNC1=O 34a_100016995588_100000210314 [0,1,0,1,0,0|1,0,0]=3 21851 B13R1.654 CCCCCCNC1CCOC1=O 2230a_100000210581_100000211211 [0,1,0,1,0,0|1,0,0]=3 21852 B13R1.654 CCCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210314 [0,1,0,1,0,0|2,0,0]=4 21853 B13R1.654 CCCCCCN[C@@H]1CONC1=O 34a_100000765999_100000210314 [0,1,0,1,0,0|2,0,0]=4 21854 B13R1.654 CCCCCCOC1CCCC1=O 34a_100000210259_100000709159 [0,1,0,1,0,0|0,0,0]=2 21855 B13R1.654 CCCCCCOC1CCCC1=O 34a_200000719330_100000210314 [0,1,0,1,0,0|0,0,0]=2 21856 B13R1.654 CCCCCCOC1CCCC1=O 7a_100000210259_100000211823 [0,1,0,1,0,0|0,0,0]=2 21857 B13R1.654 CCCCCCOC1CCCC1C 34a_100011216460_100000210314 [0,1,0,1,0,0|1,0,1]=4 21858 B13R1.654 CCCCCCOC1CCCC1C 7a_100011216460_100000210314 [0,1,0,1,0,0|1,0,1]=4 21859 B13R1.654 CCCCCCOC1CCOC1=O 34a_100000210259_100000211211 [0,1,0,1,0,0|1,0,0]=3 21860 B13R1.654 CCCCCCOC1CCOC1=O 7a_100000210259_100000211211 [0,1,0,1,0,0|1,0,0]=3 21861 B13R1.654 CCCCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210314 [0,1,0,1,0,0|1,0,1]=4 21862 B13R1.654 CCCCCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210314 [0,1,0,1,0,0|1,0,1]=4 21863 B13R1.654 CCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210314 [0,1,0,1,0,0|1,0,0]=3 21864 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000210314_100000211823 [0,1,0,1,0,0|0,0,0]=2 21865 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000211823_100000210757 [0,1,0,1,0,0|0,0,0]=2 21866 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000210314_100000211211 [0,1,0,1,0,0|1,0,0]=3 21867 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000211211_100000210757 [0,1,0,1,0,0|1,0,0]=3 21868 B13R1.654 CCCCCCS[C@@H]1CCC[C@H]1O 62a_100000210314_200016002552 [0,1,0,1,0,0|0,0,2]=4 21869 B13R1.654 CCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210757 [0,1,0,1,0,0|0,0,2]=4 21870 B13R1.654 CCCCCOCC1=CCCC1=O 34a_100000087531_100000718602 [0,1,0,1,0,0|0,0,2]=4 21871 B13R1.654 CCCCCOCC1CCCN1C 34a_100000743107_100000718602 [0,1,0,1,0,0|2,0,0]=4 21872 B13R1.654 CCCCCOCC1CCNC1=O 34a_100000133458_100000718602 [0,1,0,1,0,0|1,0,0]=3 21873 B13R1.654 CCCCCSCN1CCCC1=O 62a_100000026320_100000210326 [0,1,0,1,0,0|1,0,0]=3 21874 B13R1.654 CCCCCSCN1CCCC1=O 62a_100000210326_100000026320 [0,1,0,1,0,0|1,0,0]=3 21875 B13R1.654 CCCCNCCC1CCCN1C 2230a_100000102301_100000005710 [0,1,0,1,0,0|2,0,0]=4 21876 B13R1.654 CCCCNCCC1CCCN1C 7a_106832991798_100000005710 [0,1,0,1,0,0|2,0,0]=4 21877 B13R1.654 CCCCNCCN1CCCC1=O 2230a_100000102301_100000739059 [0,1,0,1,0,0|1,0,0]=3 21878 B13R1.654 CCCCNCCN1CCCC1=O 2230a_100011200922_100000210211 [0,1,0,1,0,0|1,0,0]=3 21879 B13R1.654 CCCCNCCN1CCCC1=O 7a_106832991798_100000739059 [0,1,0,1,0,0|1,0,0]=3 21880 B13R1.654 CCCCNCCN1CCNC1=O 2230a_100000102301_100000090651 [0,1,0,1,0,0|2,0,0]=4 21881 B13R1.654 CCCCNCCN1CCNC1=O 2230a_100011207550_100000210211 [0,1,0,1,0,0|2,0,0]=4 21882 B13R1.654 CCCCNCCN1CCNC1=O 7a_106832991798_100000090651 [0,1,0,1,0,0|2,0,0]=4 21883 B13R1.654 CCCCOCCC1CCCN1C 34a_100000210227_100000005710 [0,1,0,1,0,0|2,0,0]=4 21884 B13R1.654 CCCCOCCC1CCCN1C 34a_100011215177_100000210210 [0,1,0,1,0,0|2,0,0]=4 21885 B13R1.654 CCCCOCCC1CCCN1C 7a_100000210227_100000005710 [0,1,0,1,0,0|2,0,0]=4 21886 B13R1.654 CCCCOCCC1CCCN1C 7a_100011215177_100000210211 [0,1,0,1,0,0|2,0,0]=4 21887 B13R1.654 CCCCOCCN1CCCC1=O 34a_100000210227_100000739059 [0,1,0,1,0,0|1,0,0]=3 21888 B13R1.654 CCCCOCCN1CCCC1=O 34a_100000211209_100000210210 [0,1,0,1,0,0|1,0,0]=3 21889 B13R1.654 CCCCOCCN1CCCC1=O 7a_100000210227_100000739059 [0,1,0,1,0,0|1,0,0]=3 21890 B13R1.654 CCCCOCCN1CCCC1=O 7a_100000211209_100000210211 [0,1,0,1,0,0|1,0,0]=3 21891 B13R1.654 CCCCOCCN1CCNC1=O 34a_100000216532_100000210210 [0,1,0,1,0,0|2,0,0]=4 21892 B13R1.654 CCCCOCCN1CCNC1=O 7a_100000210227_100000090651 [0,1,0,1,0,0|2,0,0]=4 21893 B13R1.654 CCCCOCNC1CCNC1=O 2230a_100016995588_100011995733 [0,1,0,1,0,0|2,0,0]=4 21894 B13R1.654 CCCCOCNC1CCNC1=O 34a_100016995588_100011995733 [0,1,0,1,0,0|2,0,0]=4 21895 B13R1.654 CCCCOCOC1CCCC1=O 34a_200000719330_100011995733 [0,1,0,1,0,0|1,0,0]=3 21896 B13R1.654 CCCCOCO[C@H]1CCNC1=O 34a_100000688343_100011995733 [0,1,0,1,0,0|2,0,0]=4 21897 B13R1.654 CCCCOCSC1CCCC1=O 62a_100000211823_100011995733 [0,1,0,1,0,0|1,0,0]=3 21898 B13R1.654 CCCCOCSC1CCCC1=O 62a_100011995733_100000211823 [0,1,0,1,0,0|1,0,0]=3 21899 B13R1.654 CCCCOCSC1CCOC1=O 62a_100000211211_100011995733 [0,1,0,1,0,0|2,0,0]=4 21900 B13R1.654 CCCCOCSC1CCOC1=O 62a_100011995733_100000211211 [0,1,0,1,0,0|2,0,0]=4 21901 B13R1.654 CCCCSCCC1CCCN1C 62a_100000005710_100000210210 [0,1,0,1,0,0|2,0,0]=4 21902 B13R1.654 CCCCSCCC1CCCN1C 62a_100000210211_100000005710 [0,1,0,1,0,0|2,0,0]=4 21903 B13R1.654 CCCCSCCN1CCCC1=O 62a_100000210211_100000739059 [0,1,0,1,0,0|1,0,0]=3 21904 B13R1.654 CCCCSCCN1CCCC1=O 62a_100000739059_100000210210 [0,1,0,1,0,0|1,0,0]=3 21905 B13R1.654 CCCCSCCN1CCNC1=O 62a_100000090651_100000210210 [0,1,0,1,0,0|2,0,0]=4 21906 B13R1.654 CCCCSCCN1CCNC1=O 62a_100000210211_100000090651 [0,1,0,1,0,0|2,0,0]=4 21907 B13R1.654 CCCNCCCN1CCCC1=O 2230a_100000210347_100000210303 [0,1,0,1,0,0|1,0,0]=3 21908 B13R1.654 CCCNCCCN1CCCC1=O 34a_100000210347_100000210303 [0,1,0,1,0,0|1,0,0]=3 21909 B13R1.654 CCCOCCCN1CCCC1=O 34a_100011216539_100000210303 [0,1,0,1,0,0|1,0,0]=3 21910 B13R1.654 CCCOCCCN1CCCC1=O 7a_100011216539_100000210303 [0,1,0,1,0,0|1,0,0]=3 21911 B13R1.654 CCCOCCNC1CCCC1=O 2230a_100161115042_100000211823 [0,1,0,1,0,0|1,0,0]=3 21912 B13R1.654 CCCOCCNC1CCCC1=O 34a_100161115042_100000709159 [0,1,0,1,0,0|1,0,0]=3 21913 B13R1.654 CCCOCCNC1CCNC1=O 2230a_100016995588_100011215938 [0,1,0,1,0,0|2,0,0]=4 21914 B13R1.654 CCCOCCNC1CCNC1=O 34a_100016995588_100011215938 [0,1,0,1,0,0|2,0,0]=4 21915 B13R1.654 CCCOCCNC1CCOC1=O 2230a_100161115042_100000211211 [0,1,0,1,0,0|2,0,0]=4 21916 B13R1.654 CCCOCCNC1CCOC1=O 34a_100161115042_100000211211 [0,1,0,1,0,0|2,0,0]=4 21917 B13R1.654 CCCOCCOC1CCCC1=O 34a_100000752267_100000709159 [0,1,0,1,0,0|1,0,0]=3 21918 B13R1.654 CCCOCCOC1CCCC1=O 34a_200000719330_100011215938 [0,1,0,1,0,0|1,0,0]=3 21919 B13R1.654 CCCOCCOC1CCCC1=O 7a_100000752267_100000211823 [0,1,0,1,0,0|1,0,0]=3 21920 B13R1.654 CCCOCCOC1CCOC1=O 34a_100000752267_100000211211 [0,1,0,1,0,0|2,0,0]=4 21921 B13R1.654 CCCOCCOC1CCOC1=O 7a_100000752267_100000211211 [0,1,0,1,0,0|2,0,0]=4 21922 B13R1.654 CCCOCCO[C@H]1CCNC1=O 34a_100000688343_100011215938 [0,1,0,1,0,0|2,0,0]=4 21923 B13R1.654 CCCOCCSC1CCCC1=O 62a_100000211823_100011215938 [0,1,0,1,0,0|1,0,0]=3 21924 B13R1.654 CCCOCCSC1CCCC1=O 62a_100011215938_100000211823 [0,1,0,1,0,0|1,0,0]=3 21925 B13R1.654 CCCOCCSC1CCOC1=O 62a_100000211211_100011215938 [0,1,0,1,0,0|2,0,0]=4 21926 B13R1.654 CCCOCCSC1CCOC1=O 62a_100011215938_100000211211 [0,1,0,1,0,0|2,0,0]=4 21927 B13R1.654 CCCSCCNC1CCCC1=O 2230a_100020603323_100000211823 [0,1,0,1,0,0|1,0,0]=3 21928 B13R1.654 CCCSCCNC1CCOC1=O 2230a_100020603323_100000211211 [0,1,0,1,0,0|2,0,0]=4 21929 B13R1.654 CCCSCCOC1CCCC1=O 34a_200000230433_100000709159 [0,1,0,1,0,0|1,0,0]=3 21930 B13R1.654 CCCSCCOC1CCCC1=O 7a_200000230433_100000211823 [0,1,0,1,0,0|1,0,0]=3 21931 B13R1.654 CCCSCCOC1CCOC1=O 34a_200000230433_100000211211 [0,1,0,1,0,0|2,0,0]=4 21932 B13R1.654 CCCSCCOC1CCOC1=O 7a_200000230433_100000211211 [0,1,0,1,0,0|2,0,0]=4 21933 B13R1.654 CCOCCCNC1CCCC1=O 2230a_100000210961_100000211823 [0,1,0,1,0,0|1,0,0]=3 21934 B13R1.654 CCOCCCNC1CCCC1=O 34a_100000210961_100000709159 [0,1,0,1,0,0|1,0,0]=3 21935 B13R1.654 CCOCCCNC1CCNC1=O 2230a_100016995588_100012232248 [0,1,0,1,0,0|2,0,0]=4 21936 B13R1.654 CCOCCCNC1CCNC1=O 34a_100016995588_100012232248 [0,1,0,1,0,0|2,0,0]=4 21937 B13R1.654 CCOCCCNC1CCOC1=O 2230a_100000210961_100000211211 [0,1,0,1,0,0|2,0,0]=4 21938 B13R1.654 CCOCCCNC1CCOC1=O 34a_100000210961_100000211211 [0,1,0,1,0,0|2,0,0]=4 21939 B13R1.654 CCOCCCOC1CCCC1=O 34a_100000757476_100000709159 [0,1,0,1,0,0|1,0,0]=3 21940 B13R1.654 CCOCCCOC1CCCC1=O 34a_200000719330_100012232248 [0,1,0,1,0,0|1,0,0]=3 21941 B13R1.654 CCOCCCOC1CCCC1=O 7a_100000757476_100000211823 [0,1,0,1,0,0|1,0,0]=3 21942 B13R1.654 CCOCCCOC1CCOC1=O 34a_100000757476_100000211211 [0,1,0,1,0,0|2,0,0]=4 21943 B13R1.654 CCOCCCOC1CCOC1=O 7a_100000757476_100000211211 [0,1,0,1,0,0|2,0,0]=4 21944 B13R1.654 CCOCCCO[C@H]1CCNC1=O 34a_100000688343_100012232248 [0,1,0,1,0,0|2,0,0]=4 21945 B13R1.654 CCOCCCSC1CCCC1=O 62a_100000211823_100012232248 [0,1,0,1,0,0|1,0,0]=3 21946 B13R1.654 CCOCCCSC1CCCC1=O 62a_100012232248_100000211823 [0,1,0,1,0,0|1,0,0]=3 21947 B13R1.654 CCOCCCSC1CCOC1=O 62a_100000211211_100012232248 [0,1,0,1,0,0|2,0,0]=4 21948 B13R1.654 CCOCCCSC1CCOC1=O 62a_100012232248_100000211211 [0,1,0,1,0,0|2,0,0]=4 21949 B13R1.654 CCOCCOCC1CCNC1=O 34a_100000133458_100000210147 [0,1,0,1,0,0|2,0,0]=4 21950 B13R1.654 CCOCCSCN1CCCC1=O 62a_100000026320_100011215890 [0,1,0,1,0,0|2,0,0]=4 21951 B13R1.654 CCOCCSCN1CCCC1=O 62a_100000210147_100000026320 [0,1,0,1,0,0|2,0,0]=4 21952 B13R1.654 CCOCSCCN1CCCC1=O 62a_100000739059_100000739092 [0,1,0,1,0,0|2,0,0]=4 21953 B13R1.654 CCOCSCCN1CCCC1=O 62a_100000739092_100000739059 [0,1,0,1,0,0|2,0,0]=4 21954 B13R1.654 CCSCCCOC1CCCC1=O 34a_100011216438_100000709159 [0,1,0,1,0,0|1,0,0]=3 21955 B13R1.654 CCSCCCOC1CCCC1=O 7a_100011216438_100000211823 [0,1,0,1,0,0|1,0,0]=3 21956 B13R1.654 CCSCCCOC1CCOC1=O 34a_100011216438_100000211211 [0,1,0,1,0,0|2,0,0]=4 21957 B13R1.654 CCSCCCOC1CCOC1=O 7a_100011216438_100000211211 [0,1,0,1,0,0|2,0,0]=4 21958 B13R1.654 CCSCCOCC1CCNC1=O 34a_100000133458_100000757381 [0,1,0,1,0,0|2,0,0]=4 21959 B13R1.654 CCSCCSCN1CCCC1=O 62a_100000026320_100000757381 [0,1,0,1,0,0|2,0,0]=4 21960 B13R1.654 CCSCCSCN1CCCC1=O 62a_100000757381_100000026320 [0,1,0,1,0,0|2,0,0]=4 21961 B13R1.654 COCCCCNC1CCNC1=O 2230a_100016995588_100000730899 [0,1,0,1,0,0|2,0,0]=4 21962 B13R1.654 COCCCCNC1CCNC1=O 34a_100016995588_100000755781 [0,1,0,1,0,0|2,0,0]=4 21963 B13R1.654 COCCCCOC1CCCC1=O 34a_100000740925_100000709159 [0,1,0,1,0,0|1,0,0]=3 21964 B13R1.654 COCCCCOC1CCCC1=O 34a_200000719330_100000755781 [0,1,0,1,0,0|1,0,0]=3 21965 B13R1.654 COCCCCOC1CCCC1C 34a_100011216460_100000755781 [0,1,0,1,0,0|2,0,0]=4 21966 B13R1.654 COCCCCOC1CCCC1C 7a_100011216460_100000730899 [0,1,0,1,0,0|2,0,0]=4 21967 B13R1.654 COCCCCOC1CCOC1=O 34a_100000740925_100000211211 [0,1,0,1,0,0|2,0,0]=4 21968 B13R1.654 COCCCCO[C@H]1CCNC1=O 34a_100000688343_100000755781 [0,1,0,1,0,0|2,0,0]=4 21969 B13R1.654 COCCCCSC1CCCC1=O 62a_100000211823_100000730899 [0,1,0,1,0,0|1,0,0]=3 21970 B13R1.654 COCCCCSC1CCCC1=O 62a_100000730899_100000211823 [0,1,0,1,0,0|1,0,0]=3 21971 B13R1.654 COCCCCSC1CCOC1=O 62a_100000211211_100000730899 [0,1,0,1,0,0|2,0,0]=4 21972 B13R1.654 COCCCCSC1CCOC1=O 62a_100000730899_100000211211 [0,1,0,1,0,0|2,0,0]=4 21973 B13R1.654 COCCCOCC1CCNC1=O 34a_100000133458_100000740836 [0,1,0,1,0,0|2,0,0]=4 21974 B13R1.654 COCCCSCN1CCCC1=O 62a_100000026320_100000709357 [0,1,0,1,0,0|2,0,0]=4 21975 B13R1.654 COCCCSCN1CCCC1=O 62a_100000709357_100000026320 [0,1,0,1,0,0|2,0,0]=4 21976 B13R1.654 COCCNCCN1CCCC1=O 2230a_100000209980_100000739059 [0,1,0,1,0,0|2,0,0]=4 21977 B13R1.654 COCCNCCN1CCCC1=O 2230a_100011200922_100011201679 [0,1,0,1,0,0|2,0,0]=4 21978 B13R1.654 COCCOCCN1CCCC1=O 34a_100000210237_100000739059 [0,1,0,1,0,0|2,0,0]=4 21979 B13R1.654 COCCOCCN1CCCC1=O 34a_100000211209_100011201679 [0,1,0,1,0,0|2,0,0]=4 21980 B13R1.654 COCCOCCN1CCCC1=O 7a_100000211209_100000233755 [0,1,0,1,0,0|2,0,0]=4 21981 B13R1.654 COCCOCSC1CCCC1=O 62a_100000211823_100000231047 [0,1,0,1,0,0|2,0,0]=4 21982 B13R1.654 COCCOCSC1CCCC1=O 62a_100000231047_100000211823 [0,1,0,1,0,0|2,0,0]=4 21983 B13R1.654 COCCSCCN1CCCC1=O 62a_100000233755_100000739059 [0,1,0,1,0,0|2,0,0]=4 21984 B13R1.654 COCCSCCN1CCCC1=O 62a_100000739059_100000233755 [0,1,0,1,0,0|2,0,0]=4 21985 B13R1.654 COCNCCCN1CCCC1=O 2230a_100000210347_100000766300 [0,1,0,1,0,0|2,0,0]=4 21986 B13R1.654 CSCCCCOC1CCCC1=O 34a_100011217163_100000709159 [0,1,0,1,0,0|1,0,0]=3 21987 B13R1.654 CSCCCCOC1CCCC1=O 7a_100011217163_100000211823 [0,1,0,1,0,0|1,0,0]=3 21988 B13R1.654 CSCCCCOC1CCOC1=O 34a_100011217163_100000211211 [0,1,0,1,0,0|2,0,0]=4 21989 B13R1.654 CSCCCCOC1CCOC1=O 7a_100011217163_100000211211 [0,1,0,1,0,0|2,0,0]=4 21990 B13R1.654 CSCCNCCN1CCCC1=O 2230a_100011200922_100000751147 [0,1,0,1,0,0|2,0,0]=4 21991 B13R1.654 CSCCNCCN1CCCC1=O 2230a_100020590264_100000739059 [0,1,0,1,0,0|2,0,0]=4 21992 B13R1.654 CSCCOCCN1CCCC1=O 34a_100000211209_100000212216 [0,1,0,1,0,0|2,0,0]=4 21993 B13R1.654 CSCCOCCN1CCCC1=O 34a_100000230434_100000739059 [0,1,0,1,0,0|2,0,0]=4 21994 B13R1.654 CSCCOCCN1CCCC1=O 7a_100000211209_100000212216 [0,1,0,1,0,0|2,0,0]=4 21995 B13R1.654 CSCCOCCN1CCCC1=O 7a_100000230434_100000739059 [0,1,0,1,0,0|2,0,0]=4 21996 B13R1.654 CSCCSCCN1CCCC1=O 62a_100000212216_100000739059 [0,1,0,1,0,0|2,0,0]=4 21997 B13R1.654 CSCCSCCN1CCCC1=O 62a_100000739059_100000751147 [0,1,0,1,0,0|2,0,0]=4 21998 B13R1.654 CSCNCCCN1CCCC1=O 2230a_100000210347_100011218213 [0,1,0,1,0,0|2,0,0]=4 21999 B13R1.654 CSCNCCCN1CCCC1=O 34a_100000210347_100011218213 [0,1,0,1,0,0|2,0,0]=4 22000 B13R1.654 CSCOCCCN1CCCC1=O 34a_100011216539_100011218213 [0,1,0,1,0,0|2,0,0]=4 22001 B13R1.654 C[C@@H]1CCCN1CCCCCC#N 2230a_100015189458_100009813376 [0,1,0,1,0,0|1,0,1]=4 22002 B13R1.654 C[C@@H]1CCCN1CCCCCC#N 269982a_100015189458_100009813376 [0,1,0,1,0,0|1,0,1]=4 22003 B13R1.654 C[C@@H]1CCCN1CCCCCC=O 2230a_100015189458_100000139337 [0,1,0,1,0,0|0,0,0]=2 22004 B13R1.654 C[C@@H]1CCCN1CCCCCC=O 269982a_100015189458_100000139337 [0,1,0,1,0,0|0,0,0]=2 22005 B13R1.654 C[C@@H]1CCCN1CCCCCCF 2230a_100015189458_100015922095 [0,1,0,1,0,0|1,0,1]=4 22006 B13R1.654 C[C@@H]1CCCN1CCCCCCF 269982a_100015189458_100015922095 [0,1,0,1,0,0|1,0,1]=4 22007 B13R1.654 C[C@@H]1CCCN1CCCCCCF 34a_100015189458_100015922095 [0,1,0,1,0,0|1,0,1]=4 22008 B13R1.654 C[C@@H]1CCCN1CCCCCCO 2230a_100015189458_100000766143 [0,1,0,1,0,0|0,0,2]=4 22009 B13R1.654 C[C@@H]1CCCN1CCCCCCO 269982a_100015189458_100000766143 [0,1,0,1,0,0|0,0,2]=4 22010 B13R1.654 C[C@@H]1CCCN1CCCCCCO 34a_100015189458_100000766143 [0,1,0,1,0,0|0,0,2]=4 22011 B13R1.654 C[C@H]1CCCN1CCCCCC#N 2230a_100020605311_100009813376 [0,1,0,1,0,0|1,0,1]=4 22012 B13R1.654 C[C@H]1CCCN1CCCCCC#N 269982a_100020605311_100009813376 [0,1,0,1,0,0|1,0,1]=4 22013 B13R1.654 C[C@H]1CCCN1CCCCCC=O 2230a_100020605311_100000139337 [0,1,0,1,0,0|0,0,0]=2 22014 B13R1.654 C[C@H]1CCCN1CCCCCC=O 269982a_100020605311_100000139337 [0,1,0,1,0,0|0,0,0]=2 22015 B13R1.654 C[C@H]1CCCN1CCCCCCF 2230a_100020605311_100015922095 [0,1,0,1,0,0|1,0,1]=4 22016 B13R1.654 C[C@H]1CCCN1CCCCCCF 269982a_100020605311_100015922095 [0,1,0,1,0,0|1,0,1]=4 22017 B13R1.654 C[C@H]1CCCN1CCCCCCO 2230a_100020605311_100000766143 [0,1,0,1,0,0|0,0,2]=4 22018 B13R1.654 C[C@H]1CCCN1CCCCCCO 269982a_100020605311_100000766143 [0,1,0,1,0,0|0,0,2]=4 22019 B13R1.654 N#CCCCCSC1CCCC1=O 62a_100000211823_100000211819 [0,1,0,1,0,0|1,0,1]=4 22020 B13R1.654 N#CCCCCSC1CCCC1=O 62a_100011219923_100000211823 [0,1,0,1,0,0|1,0,1]=4 22021 B13R1.654 NCCCCCOC1CCCC1=O 34a_100000762737_100000709159 [0,1,0,1,0,0|1,0,0]=3 22022 B13R1.654 NCCCCCOC1CCOC1=O 34a_100000762737_100000211211 [0,1,0,1,0,0|2,0,0]=4 22023 B13R1.654 NCCCOCCN1CCCC1=O 34a_100000182051_100000739059 [0,1,0,1,0,0|2,0,0]=4 22024 B13R1.654 NCCOCCOC1CCCC1=O 34a_100000211614_100000709159 [0,1,0,1,0,0|2,0,0]=4 22025 B13R1.654 O=C1CCCC1NCCCCCO 2230a_100000762737_100000211823 [0,1,0,1,0,0|1,0,0]=3 22026 B13R1.654 O=C1CCCC1NCCCCCO 34a_100000762737_100000709159 [0,1,0,1,0,0|1,0,0]=3 22027 B13R1.654 O=C1CCCC1NCCOCCO 2230a_100000211614_100000211823 [0,1,0,1,0,0|2,0,0]=4 22028 B13R1.654 O=C1CCCC1NCCOCCO 34a_100000211614_100000709159 [0,1,0,1,0,0|2,0,0]=4 22029 B13R1.654 O=C1CCCC1NCCSCCO 2230a_100011219999_100000211823 [0,1,0,1,0,0|2,0,0]=4 22030 B13R1.654 O=C1CCCC1OCCCCCBr 34a_100000746331_100000709159 [0,1,0,1,0,0|1,0,0]=3 22031 B13R1.654 O=C1CCCC1OCCCCCBr 7a_100000746331_100000211823 [0,1,0,1,0,0|1,0,0]=3 22032 B13R1.654 O=C1CCCC1OCCCCCCl 34a_100000746330_100000709159 [0,1,0,1,0,0|1,0,0]=3 22033 B13R1.654 O=C1CCCC1OCCCCCCl 7a_100000746330_100000211823 [0,1,0,1,0,0|1,0,0]=3 22034 B13R1.654 O=C1CCCC1OCCCCCF 34a_200000719330_100000729378 [0,1,0,1,0,0|1,0,0]=3 22035 B13R1.654 O=C1CCCC1OCCCCCI 34a_200012148887_100000709159 [0,1,0,1,0,0|1,0,0]=3 22036 B13R1.654 O=C1CCCC1OCCCCCI 7a_200012148887_100000211823 [0,1,0,1,0,0|1,0,0]=3 22037 B13R1.654 O=C1CCCC1OCCCCCO 34a_200000719330_100000746330 [0,1,0,1,0,0|1,0,0]=3 22038 B13R1.654 O=C1CCCC1OCCOCCBr 34a_100000692535_100000709159 [0,1,0,1,0,0|2,0,0]=4 22039 B13R1.654 O=C1CCCC1OCCOCCBr 7a_100000692535_100000211823 [0,1,0,1,0,0|2,0,0]=4 22040 B13R1.654 O=C1CCCC1OCCOCCCl 34a_100011215305_100000709159 [0,1,0,1,0,0|2,0,0]=4 22041 B13R1.654 O=C1CCCC1OCCOCCCl 7a_100011215305_100000211823 [0,1,0,1,0,0|2,0,0]=4 22042 B13R1.654 O=C1CCCC1OCCOCCF 34a_200015357709_100000709159 [0,1,0,1,0,0|2,0,0]=4 22043 B13R1.654 O=C1CCCC1OCCOCCF 7a_200015357709_100000211823 [0,1,0,1,0,0|2,0,0]=4 22044 B13R1.654 O=C1CCCC1OCCOCCI 34a_100012149058_100000709159 [0,1,0,1,0,0|2,0,0]=4 22045 B13R1.654 O=C1CCCC1OCCOCCI 7a_100012149058_100000211823 [0,1,0,1,0,0|2,0,0]=4 22046 B13R1.654 O=C1CCCC1OCCOCCO 34a_200000719330_100000692535 [0,1,0,1,0,0|2,0,0]=4 22047 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000211823_100000729378 [0,1,0,1,0,0|1,0,0]=3 22048 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000729378_100000211823 [0,1,0,1,0,0|1,0,0]=3 22049 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000211823_100000746330 [0,1,0,1,0,0|1,0,0]=3 22050 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000746330_100000211823 [0,1,0,1,0,0|1,0,0]=3 22051 B13R1.654 O=C1CCCC1SCCOCCO 62a_100000211823_100011215305 [0,1,0,1,0,0|2,0,0]=4 22052 B13R1.654 O=C1CCCC1SCCOCCO 62a_100011215305_100000211823 [0,1,0,1,0,0|2,0,0]=4 22053 B13R1.654 O=C1CCCN1CCCNCCF 2230a_100000210347_100011217306 [0,1,0,1,0,0|2,0,0]=4 22054 B13R1.654 O=C1CCCN1CCCNCCF 34a_100000210347_100011217306 [0,1,0,1,0,0|2,0,0]=4 22055 B13R1.654 O=C1CCCN1CCCNCCO 2230a_100000210347_100000211926 [0,1,0,1,0,0|2,0,0]=4 22056 B13R1.654 O=C1CCCN1CCCNCCO 34a_100000210347_100000211926 [0,1,0,1,0,0|2,0,0]=4 22057 B13R1.654 O=C1CCCN1CCCOCCF 34a_100011216539_100011217306 [0,1,0,1,0,0|2,0,0]=4 22058 B13R1.654 O=C1CCCN1CCCOCCF 7a_100011216539_100011217306 [0,1,0,1,0,0|2,0,0]=4 22059 B13R1.654 O=C1CCCN1CCCOCCO 34a_100011216539_100000211926 [0,1,0,1,0,0|2,0,0]=4 22060 B13R1.654 O=C1CCCN1CCCOCCO 7a_100011216539_100000211926 [0,1,0,1,0,0|2,0,0]=4 22061 B13R1.654 O=C1CCCN1CCNCCCF 2230a_100011200922_100011934791 [0,1,0,1,0,0|2,0,0]=4 22062 B13R1.654 O=C1CCCN1CCNCCCF 2230a_100015189416_100000739059 [0,1,0,1,0,0|2,0,0]=4 22063 B13R1.654 O=C1CCCN1CCNCCCF 34a_100015189416_100000739059 [0,1,0,1,0,0|2,0,0]=4 22064 B13R1.654 O=C1CCCN1CCNCCCO 2230a_100011200922_100000230001 [0,1,0,1,0,0|2,0,0]=4 22065 B13R1.654 O=C1CCCN1CCOCCCBr 34a_100011217188_100000739059 [0,1,0,1,0,0|2,0,0]=4 22066 B13R1.654 O=C1CCCN1CCOCCCCl 34a_100000230001_100000739059 [0,1,0,1,0,0|2,0,0]=4 22067 B13R1.654 O=C1CCCN1CCOCCCF 34a_100000211209_100011934791 [0,1,0,1,0,0|2,0,0]=4 22068 B13R1.654 O=C1CCCN1CCOCCCF 34a_100000759539_100000739059 [0,1,0,1,0,0|2,0,0]=4 22069 B13R1.654 O=C1CCCN1CCOCCCF 7a_100000211209_100011934791 [0,1,0,1,0,0|2,0,0]=4 22070 B13R1.654 O=C1CCCN1CCOCCCO 34a_100000211209_100000230001 [0,1,0,1,0,0|2,0,0]=4 22071 B13R1.654 O=C1CCCN1CCOCCCO 7a_100000211209_100011215043 [0,1,0,1,0,0|2,0,0]=4 22072 B13R1.654 O=C1CCCN1CCSCCCF 62a_100000739059_100011934791 [0,1,0,1,0,0|2,0,0]=4 22073 B13R1.654 O=C1CCCN1CCSCCCF 62a_100011934791_100000739059 [0,1,0,1,0,0|2,0,0]=4 22074 B13R1.654 O=C1CCCN1CCSCCCO 62a_100000739059_100011215043 [0,1,0,1,0,0|2,0,0]=4 22075 B13R1.654 O=C1CCCN1CCSCCCO 62a_100011215043_100000739059 [0,1,0,1,0,0|2,0,0]=4 22076 B13R1.654 O=C1CCCN1CSCCCCF 62a_100000026320_100000729493 [0,1,0,1,0,0|2,0,0]=4 22077 B13R1.654 O=C1CCCN1CSCCCCF 62a_100000729493_100000026320 [0,1,0,1,0,0|2,0,0]=4 22078 B13R1.654 O=C1CCCN1CSCCCCO 62a_100000026320_100000210776 [0,1,0,1,0,0|2,0,0]=4 22079 B13R1.654 O=C1CCCN1CSCCCCO 62a_100000210776_100000026320 [0,1,0,1,0,0|2,0,0]=4 22080 B13R1.654 O=C1NCCC1COCCCCF 34a_100000133458_100000729493 [0,1,0,1,0,0|2,0,0]=4 22081 B13R1.654 O=C1NCCC1COCCCCO 34a_100000133458_100011216708 [0,1,0,1,0,0|2,0,0]=4 22082 B13R1.654 O=C1NCCC1NCCCCCF 2230a_100016995588_100000729378 [0,1,0,1,0,0|2,0,0]=4 22083 B13R1.654 O=C1NCCC1NCCCCCF 34a_100016995588_100000729378 [0,1,0,1,0,0|2,0,0]=4 22084 B13R1.654 O=C1NCCC1NCCCCCO 2230a_100016995588_100000746330 [0,1,0,1,0,0|2,0,0]=4 22085 B13R1.654 O=C1NCCC1NCCCCCO 34a_100016995588_100000746330 [0,1,0,1,0,0|2,0,0]=4 22086 B13R1.654 O=C1NCC[C@@H]1OCCCCCF 34a_100000688343_100000729378 [0,1,0,1,0,0|2,0,0]=4 22087 B13R1.654 O=C1NCC[C@@H]1OCCCCCO 34a_100000688343_100000746330 [0,1,0,1,0,0|2,0,0]=4 22088 B13R1.654 O=C1OCCC1NCCCCCO 2230a_100000762737_100000211211 [0,1,0,1,0,0|2,0,0]=4 22089 B13R1.654 O=C1OCCC1NCCCCCO 34a_100000762737_100000211211 [0,1,0,1,0,0|2,0,0]=4 22090 B13R1.654 O=C1OCCC1OCCCCCBr 34a_100000746331_100000211211 [0,1,0,1,0,0|2,0,0]=4 22091 B13R1.654 O=C1OCCC1OCCCCCBr 7a_100000746331_100000211211 [0,1,0,1,0,0|2,0,0]=4 22092 B13R1.654 O=C1OCCC1OCCCCCCl 34a_100000746330_100000211211 [0,1,0,1,0,0|2,0,0]=4 22093 B13R1.654 O=C1OCCC1OCCCCCCl 7a_100000746330_100000211211 [0,1,0,1,0,0|2,0,0]=4 22094 B13R1.654 O=C1OCCC1OCCCCCI 34a_200012148887_100000211211 [0,1,0,1,0,0|2,0,0]=4 22095 B13R1.654 O=C1OCCC1OCCCCCI 7a_200012148887_100000211211 [0,1,0,1,0,0|2,0,0]=4 22096 B13R1.654 O=C1OCCC1SCCCCCF 62a_100000211211_100000729378 [0,1,0,1,0,0|2,0,0]=4 22097 B13R1.654 O=C1OCCC1SCCCCCF 62a_100000729378_100000211211 [0,1,0,1,0,0|2,0,0]=4 22098 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000211211_100000746330 [0,1,0,1,0,0|2,0,0]=4 22099 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000746330_100000211211 [0,1,0,1,0,0|2,0,0]=4 22100 B13R1.654 O=CCCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000139335 [0,1,0,1,0,0|2,0,0]=4 22101 B13R1.654 O=CCCCCSC1CCCC1=O 62a_100000139335_100000211823 [0,1,0,1,0,0|1,0,1]=4 22102 B13R1.654 O=CCCCCSC1CCCC1=O 62a_100000211823_100000139335 [0,1,0,1,0,0|1,0,1]=4 22103 B13R1.654 O=CCCCCSC1COCC1O 62a_100000139335_200000725654 [0,1,0,1,0,0|2,0,0]=4 22104 B13R1.654 O=CCCCCSC1COCC1O 62a_200000725654_100000139335 [0,1,0,1,0,0|2,0,0]=4 22105 B13R1.654 O=CCCCCS[C@@H]1CCC[C@H]1O 62a_100000139335_200016002552 [0,1,0,1,0,0|1,0,0]=3 22106 B13R1.654 O=CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000139335 [0,1,0,1,0,0|1,0,0]=3 22107 B13R1.657 C=CCCNC1CCC(C1)CCC 270004a_100015191253_200012087856 [0,1,0,1,0,0|2,0,0]=4 22108 B13R1.657 CCCOCC1CCN(C1)CC=O 2230a_200011652792_200015260668 [0,1,0,1,0,0|2,0,0]=4 22109 B13R1.657 CCCOCC1CCN(C1)CC=O 269982a_200011652792_200015260668 [0,1,0,1,0,0|2,0,0]=4 22110 B13R1.657 CCCOCC1CCN(C1)CC=O 34a_200011652792_200009817547 [0,1,0,1,0,0|2,0,0]=4 22111 B13R1.657 CCO[C@H]1CCN(C1)CCCC=O 2230a_100011787710_200011292268 [0,1,0,1,0,0|2,0,0]=4 22112 B13R1.657 CCO[C@H]1CCN(C1)CCCC=O 269982a_100011787710_200011292268 [0,1,0,1,0,0|2,0,0]=4 22113 B13R1.657 COCC1CCN(C1)CCCC=O 2230a_100025706693_200011292268 [0,1,0,1,0,0|2,0,0]=4 22114 B13R1.657 COCC1CCN(C1)CCCC=O 269982a_100025706693_200011292268 [0,1,0,1,0,0|2,0,0]=4 22115 B13R1.657 O=CCCCN1CCC(C1)CCO 2230a_100016987287_200011292268 [0,1,0,1,0,0|2,0,0]=4 22116 B13R1.657 O=CCCCN1CCC(C1)CCO 269982a_100016987287_200011292268 [0,1,0,1,0,0|2,0,0]=4 22117 B13R1.1149 C=CCCCN1CCCC(CC1)C 2230a_100025706717_100011713584 [0,1,0,1,0,0|2,0,0]=4 22118 B13R1.1149 C=CCCCN1CCCC(CC1)C 269982a_100025706717_100000757094 [0,1,0,1,0,0|2,0,0]=4 22119 B13R1.1149 C=CCCCN1CCCC(CC1)C 34a_100025706717_100000757094 [0,1,0,1,0,0|2,0,0]=4 22120 B13R1.1149 C=CCCCN1CCCC(CC1)O 2230a_100015186869_100011713584 [0,1,0,1,0,0|2,0,0]=4 22121 B13R1.1149 C=CCCCN1CCCC(CC1)O 269982a_100015186869_100000757094 [0,1,0,1,0,0|2,0,0]=4 22122 B13R1.1149 CC1CCCN(CC1)CCCC=O 2230a_100025706717_200011292268 [0,1,0,1,0,0|1,0,0]=3 22123 B13R1.1149 CC1CCCN(CC1)CCCC=O 269982a_100025706717_200011292268 [0,1,0,1,0,0|1,0,0]=3 22124 B13R1.1149 CN1CCCN(CC1)CCCC=O 2230a_100000211313_200011292268 [0,1,0,1,0,0|2,0,0]=4 22125 B13R1.1149 CN1CCCN(CC1)CCCC=O 269982a_100000211313_200011292268 [0,1,0,1,0,0|2,0,0]=4 22126 B13R1.1149 O=CCCCN1CCCC(CC1)O 2230a_100015186869_200011292268 [0,1,0,1,0,0|1,0,0]=3 22127 B13R1.1149 O=CCCCN1CCCC(CC1)O 269982a_100015186869_200011292268 [0,1,0,1,0,0|1,0,0]=3 22128 B13R1.1464 C=CCN(C)C1CCCCCCC1 270004a_100000225617_100000210524 [0,1,0,1,0,0|2,0,0]=4 22129 B13R1.1575 C=CCC(=O)CC1CCCCCC1 1458a_100000210193_200000696569 [0,1,0,1,0,0|1,0,1]=4 22130 B13R1.1575 C=CCC(=O)CC1CCCCCC1 1458a_100000685095_100000210623 [0,1,0,1,0,0|1,0,1]=4 22131 B13R1.1575 C=CCN(C)CC1CCCCCC1 2230a_100000225617_200000696569 [0,1,0,1,0,0|2,0,0]=4 22132 B13R1.1575 C=CCN(C)CC1CCCCCC1 269982a_100000225617_200000696569 [0,1,0,1,0,0|2,0,0]=4 22133 B13R1.1575 C=CC[C@@H](C)OC1CCCCCC1 34a_100000731007_100011217769 [0,1,0,1,0,0|2,0,0]=4 22134 B13R1.1892 CCOC1CN(C1)CCCCC=O 269982a_100000732654_100000139335 [0,1,0,1,0,0|2,0,0]=4 22135 B13R1.1892 COCC1CC(C1)NCCCC=O 2230a_100012180050_200011292268 [0,1,0,1,0,0|2,0,0]=4 22136 B13R1.1892 COCC1CN(C1)CCCCC=O 2230a_100016993750_100000139335 [0,1,0,1,0,0|2,0,0]=4 22137 B13R1.1892 COCC1CN(C1)CCCCC=O 269982a_100016993750_100000139335 [0,1,0,1,0,0|2,0,0]=4 22138 B13R1.3151 C=CCCCCCCC(=O)C1CC1 1458a_100000210395_100011215473 [0,1,0,1,0,0|1,0,1]=4 22139 B13R1.3151 C=CCCCCCCN(C)C1CC1 2230a_100000226674_100011215473 [0,1,0,1,0,0|2,0,0]=4 22140 B13R1.3151 C=CCCCCCCN(C)C1CC1 269982a_100000226674_100011215473 [0,1,0,1,0,0|2,0,0]=4 22141 B13R1.3151 C=CCCCCCNC(C)C1CC1 2230a_100000700016_100000700193 [0,1,0,1,0,0|2,0,0]=4 22142 B13R1.3151 C=CCCCCCNC(C)C1CC1 34a_100000700016_100000700193 [0,1,0,1,0,0|2,0,0]=4 22143 B13R1.3151 C=CCCCCCOC(C)C1CC1 34a_100000744524_100000700193 [0,1,0,1,0,0|2,0,0]=4 22144 B13R1.3151 C=CCCCCCOC(C)C1CC1 7a_100000744524_100000700193 [0,1,0,1,0,0|2,0,0]=4 22145 B13R1.3151 C=CCCCCNCC(O)C1CC1 2230a_100000751198_100011215482 [0,1,0,1,0,0|2,0,0]=4 22146 B13R1.3151 C=CCCCCNCC(O)C1CC1 34a_100000751198_100011215482 [0,1,0,1,0,0|2,0,0]=4 22147 B13R1.3151 C=CCCCCOC[C@H](N)C1CC1 34a_100020623730_100011215482 [0,1,0,1,0,0|2,0,0]=4 22148 B13R1.3151 CC(NCCCCCC=O)C1CC1 2230a_100000700016_100000139337 [0,1,0,1,0,0|1,0,0]=3 22149 B13R1.3151 CC(OCCCCCC=O)C1CC1 7a_100000744524_100000139337 [0,1,0,1,0,0|1,0,0]=3 22150 B13R1.3151 O=CCCCCNCC(O)C1CC1 2230a_100000751198_100000139335 [0,1,0,1,0,0|1,0,0]=3 22151 B13R1.3151 O=CCCCCSCC(=O)C1CC1 62a_100000139335_100000746382 [0,1,0,1,0,0|1,0,1]=4 22152 B13R1.3151 O=CCCCCSCC(=O)C1CC1 62a_100000746382_100000139335 [0,1,0,1,0,0|1,0,1]=4 22153 B13R1.3673 C=CCCCCCNC1(CCC1)C 2230a_100000692455_100000700193 [0,1,0,1,0,0|2,0,0]=4 22154 B13R1.3673 C=CCCCCCNC1(CCC1)C 34a_100000692455_100000700193 [0,1,0,1,0,0|2,0,0]=4 22155 B13R1.3673 C=CCCCCCOC1(CCC1)C 34a_100000759064_100000700193 [0,1,0,1,0,0|2,0,0]=4 22156 B13R1.3673 C=CCCCCCOC1(CCC1)C 7a_100000759064_100000700193 [0,1,0,1,0,0|2,0,0]=4 22157 B13R1.3673 C=CCCCCNCC1(CCC1)C 2230a_100000703577_100000726658 [0,1,0,1,0,0|2,0,0]=4 22158 B13R1.3673 C=CCCCCNCC1(CCC1)C 2230a_100000706607_100011215482 [0,1,0,1,0,0|2,0,0]=4 22159 B13R1.3673 C=CCCCCNCC1(CCC1)C 34a_100000703577_100000726658 [0,1,0,1,0,0|2,0,0]=4 22160 B13R1.3673 C=CCCCCNCC1(CCC1)O 2230a_100000752638_100011215482 [0,1,0,1,0,0|2,0,0]=4 22161 B13R1.3673 C=CCCCCOCC1(CCC1)C 34a_100000766645_100000726658 [0,1,0,1,0,0|2,0,0]=4 22162 B13R1.3673 C=CCCCCOCC1(CCC1)C 7a_100000766645_100000726658 [0,1,0,1,0,0|2,0,0]=4 22163 B13R1.3673 C=CCCCCSCC1(CCC1)C 62a_100000726658_100011215482 [0,1,0,1,0,0|2,0,0]=4 22164 B13R1.3673 C=CCCCCSCC1(CCC1)C 62a_100011215482_100000726658 [0,1,0,1,0,0|2,0,0]=4 22165 B13R1.3673 CC1(CCC1)CNCCCCC=O 2230a_100000706607_100000139335 [0,1,0,1,0,0|1,0,0]=3 22166 B13R1.3673 CC1(CCC1)CSCCCCC=O 62a_100000139335_100000726658 [0,1,0,1,0,0|1,0,0]=3 22167 B13R1.3673 CC1(CCC1)CSCCCCC=O 62a_100000726658_100000139335 [0,1,0,1,0,0|1,0,0]=3 22168 B13R1.3673 CC1(CCC1)NCCCCCC=O 2230a_100000692455_100000139337 [0,1,0,1,0,0|1,0,0]=3 22169 B13R1.3673 CC1(CCC1)OCCCCCC=O 7a_100000759064_100000139337 [0,1,0,1,0,0|1,0,0]=3 22170 B13R1.3673 CC1(COC1)CNCCCCC=O 2230a_100020631278_100000139335 [0,1,0,1,0,0|2,0,0]=4 22171 B13R1.3673 CC1(COC1)CSCCCCC=O 62a_100000139335_100009817586 [0,1,0,1,0,0|2,0,0]=4 22172 B13R1.3673 CC1(COC1)CSCCCCC=O 62a_100009817586_100000139335 [0,1,0,1,0,0|2,0,0]=4 22173 B13R1.3673 CC1(COC1)NCCCCCC=O 2230a_100000732644_100000139337 [0,1,0,1,0,0|2,0,0]=4 22174 B13R1.3673 CC1(CSC1)COCCCCC=O 7a_100000732658_100000139335 [0,1,0,1,0,0|2,0,0]=4 22175 B13R1.3673 CC1(CSC1)OCCCCCC=O 7a_100016018533_100000139337 [0,1,0,1,0,0|2,0,0]=4 22176 B13R1.3673 O=CCCCCNCC1(CCC1)O 2230a_100000752638_100000139335 [0,1,0,1,0,0|1,0,0]=3 22177 B13R1.3673 O=CCCCCNCC1(COC1)O 2230a_100010264505_100000139335 [0,1,0,1,0,0|2,0,0]=4 22178 B13R1.28 BrCCCCCOC1C=CCCC1 7a_100000746331_100000751183 [0,1,0,1,0,0|2,0,0]=4 22179 B13R1.28 BrCCCCCOC1CCCCC1 34a_100000746331_100000210327 [0,1,0,1,0,0|1,0,1]=4 22180 B13R1.28 BrCCCCCOC1CCCCC1 7a_100000746331_100000210327 [0,1,0,1,0,0|1,0,1]=4 22181 B13R1.28 BrCCCCOCC1CCCCC1 34a_100011216708_100000211423 [0,1,0,1,0,0|1,0,1]=4 22182 B13R1.28 BrCCCOCCC1CCCCC1 34a_100011217188_100011209188 [0,1,0,1,0,0|1,0,1]=4 22183 B13R1.28 BrCCOCCCC1CCCCC1 34a_100000211926_100011713725 [0,1,0,1,0,0|1,0,1]=4 22184 B13R1.28 C#CCCCCNC1CCCCC1 2230a_100000182618_100010269958 [0,1,0,1,0,0|1,0,1]=4 22185 B13R1.28 C#CCCCCNC1CCCCC1 34a_100000182618_100010269958 [0,1,0,1,0,0|1,0,1]=4 22186 B13R1.28 C#CCCCCNC1CCCCC1 34a_100000706060_100000210327 [0,1,0,1,0,0|1,0,1]=4 22187 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[0,1,0,1,0,0|1,0,1]=4 22211 B13R1.28 C#CCNCCCC1CCCCC1 34a_100000212058_100011713725 [0,1,0,1,0,0|1,0,1]=4 22212 B13R1.28 C#CCNCCCC1CCCCC1 34a_100011211642_100000184674 [0,1,0,1,0,0|1,0,1]=4 22213 B13R1.28 C#CCOCCCC1CCCCC1 34a_100000198086_100000184674 [0,1,0,1,0,0|1,0,1]=4 22214 B13R1.28 C#CCOCCCC1CCCCC1 34a_100000210247_100011713725 [0,1,0,1,0,0|1,0,1]=4 22215 B13R1.28 C#CCOCCCC1CCCCC1 7a_100000198086_100000038162 [0,1,0,1,0,0|1,0,1]=4 22216 B13R1.28 C#CCSCCCC1CCCCC1 62a_100000038162_100011713725 [0,1,0,1,0,0|1,0,1]=4 22217 B13R1.28 C/C=C/CCOCC1CCCCC1 34a_100016278192_100000211423 [0,1,0,1,0,0|1,0,1]=4 22218 B13R1.28 C/C=C/CNCCC1CCCCC1 34a_100000738074_100102629194 [0,1,0,1,0,0|1,0,1]=4 22219 B13R1.28 C/C=C/COCCC1CCCCC1 34a_100011217863_100102629194 [0,1,0,1,0,0|1,0,1]=4 22220 B13R1.28 C/C=C/COCCC1CCCCC1 34a_100016270725_100011209188 [0,1,0,1,0,0|1,0,1]=4 22221 B13R1.28 C/C=C/COCCC1CCCCC1 7a_100011217863_100102629194 [0,1,0,1,0,0|1,0,1]=4 22222 B13R1.28 C/C=C/CSCCC1CCCCC1 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C=CCCCCOC1CCCSC1 7a_100015962668_100011215482 [0,1,0,1,0,0|2,0,0]=4 22258 B13R1.28 C=CCCCCOC1CCOCC1 34a_100000744328_100011215482 [0,1,0,1,0,0|2,0,0]=4 22259 B13R1.28 C=CCCCCOC1CCOCC1 7a_100000766645_100000686592 [0,1,0,1,0,0|2,0,0]=4 22260 B13R1.28 C=CCCCCOC1CCSCC1 34a_100000731022_100011215482 [0,1,0,1,0,0|2,0,0]=4 22261 B13R1.28 C=CCCCCOC1CCSCC1 34a_100000766645_100000069128 [0,1,0,1,0,0|2,0,0]=4 22262 B13R1.28 C=CCCCCOC1CCSCC1 7a_100000731022_100011215482 [0,1,0,1,0,0|2,0,0]=4 22263 B13R1.28 C=CCCCCOC1CCSCC1 7a_100000766645_100011500858 [0,1,0,1,0,0|2,0,0]=4 22264 B13R1.28 C=CCCCCSC1CCCCC1 62a_100000210327_100011215482 [0,1,0,1,0,0|1,0,0]=3 22265 B13R1.28 C=CCCCCSC1CCCCC1 62a_100011215482_100000210327 [0,1,0,1,0,0|1,0,0]=3 22266 B13R1.28 C=CCCCCSC1CCCOC1 62a_100011215482_100000693364 [0,1,0,1,0,0|2,0,0]=4 22267 B13R1.28 C=CCCCCSC1CCOCC1 62a_100011215482_100011324220 [0,1,0,1,0,0|2,0,0]=4 22268 B13R1.28 C=CCCCCSC1CCSCC1 62a_100011215482_100000069128 [0,1,0,1,0,0|2,0,0]=4 22269 B13R1.28 C=CCCCNCC1CCCCC1 2230a_100000210473_100011713584 [0,1,0,1,0,0|1,0,0]=3 22270 B13R1.28 C=CCCCNCC1CCCCC1 2230a_100000700776_100000211423 [0,1,0,1,0,0|1,0,0]=3 22271 B13R1.28 C=CCCCNCC1CCCCC1 269862a_100000700776_100000211278 [0,1,0,1,0,0|1,0,0]=3 22272 B13R1.28 C=CCCCNCC1CCCCC1 34a_100000210473_100000757094 [0,1,0,1,0,0|1,0,0]=3 22273 B13R1.28 C=CCCCNCC1CCCCC1 34a_100000700776_100000211423 [0,1,0,1,0,0|1,0,0]=3 22274 B13R1.28 C=CCCCNCC1CCCCO1 2230a_100000174945_100011713584 [0,1,0,1,0,0|2,0,0]=4 22275 B13R1.28 C=CCCCNCC1CCCCO1 2230a_100000700776_100000211543 [0,1,0,1,0,0|2,0,0]=4 22276 B13R1.28 C=CCCCNCC1CCCCO1 34a_100000174945_100000757094 [0,1,0,1,0,0|2,0,0]=4 22277 B13R1.28 C=CCCCNCC1CCCCO1 34a_100000700776_100000211543 [0,1,0,1,0,0|2,0,0]=4 22278 B13R1.28 C=CCCCNCC1CCCOC1 2230a_100000700776_100000741521 [0,1,0,1,0,0|2,0,0]=4 22279 B13R1.28 C=CCCCNCC1CCCOC1 2230a_100000720124_100011713584 [0,1,0,1,0,0|2,0,0]=4 22280 B13R1.28 C=CCCCNCC1CCCOC1 34a_100000700776_100000741521 [0,1,0,1,0,0|2,0,0]=4 22281 B13R1.28 C=CCCCNCC1CCCOC1 34a_100000720124_100000757094 [0,1,0,1,0,0|2,0,0]=4 22282 B13R1.28 C=CCCCNCC1CCOCC1 2230a_100000700776_100000754603 [0,1,0,1,0,0|2,0,0]=4 22283 B13R1.28 C=CCCCNCC1CCOCC1 2230a_100000746373_100011713584 [0,1,0,1,0,0|2,0,0]=4 22284 B13R1.28 C=CCCCNCC1CCOCC1 269862a_100000700776_100000749017 [0,1,0,1,0,0|2,0,0]=4 22285 B13R1.28 C=CCCCNCC1CCOCC1 34a_100000700776_100000754603 [0,1,0,1,0,0|2,0,0]=4 22286 B13R1.28 C=CCCCNCC1CCOCC1 34a_100000746373_100000757094 [0,1,0,1,0,0|2,0,0]=4 22287 B13R1.28 C=CCCCNCC1CCSCC1 2230a_100015188806_100011713584 [0,1,0,1,0,0|2,0,0]=4 22288 B13R1.28 C=CCCCNCC1CCSCC1 269862a_100000700776_100000067145 [0,1,0,1,0,0|2,0,0]=4 22289 B13R1.28 C=CCCCNCC1CCSCC1 270004a_100000700776_100000067145 [0,1,0,1,0,0|2,0,0]=4 22290 B13R1.28 C=CCCCNCC1CCSCC1 34a_100015188806_100000757094 [0,1,0,1,0,0|2,0,0]=4 22291 B13R1.28 C=CCCCOCC1CCCCC1 34a_100000212181_100000757094 [0,1,0,1,0,0|1,0,0]=3 22292 B13R1.28 C=CCCCOCC1CCCCC1 34a_100000758997_100000211423 [0,1,0,1,0,0|1,0,0]=3 22293 B13R1.28 C=CCCCOCC1CCCCC1 7a_100000212181_100000757094 [0,1,0,1,0,0|1,0,0]=3 22294 B13R1.28 C=CCCCOCC1CCCCC1 7a_100000758997_100000211423 [0,1,0,1,0,0|1,0,0]=3 22295 B13R1.28 C=CCCCOCC1CCCCN1 34a_100000210821_100000757094 [0,1,0,1,0,0|2,0,0]=4 22296 B13R1.28 C=CCCCOCC1CCCCO1 34a_100000211370_100000757094 [0,1,0,1,0,0|2,0,0]=4 22297 B13R1.28 C=CCCCOCC1CCCCO1 34a_100000758997_100000211543 [0,1,0,1,0,0|2,0,0]=4 22298 B13R1.28 C=CCCCOCC1CCCCO1 7a_100000211370_100000757094 [0,1,0,1,0,0|2,0,0]=4 22299 B13R1.28 C=CCCCOCC1CCCCO1 7a_100000758997_100000211543 [0,1,0,1,0,0|2,0,0]=4 22300 B13R1.28 C=CCCCOCC1CCCNC1 34a_100000211344_100000757094 [0,1,0,1,0,0|2,0,0]=4 22301 B13R1.28 C=CCCCOCC1CCCOC1 34a_100000741520_100000757094 [0,1,0,1,0,0|2,0,0]=4 22302 B13R1.28 C=CCCCOCC1CCCOC1 34a_100000758997_100000741521 [0,1,0,1,0,0|2,0,0]=4 22303 B13R1.28 C=CCCCOCC1CCCOC1 7a_100000758997_100000741521 [0,1,0,1,0,0|2,0,0]=4 22304 B13R1.28 C=CCCCOCC1CCNCC1 34a_100000738675_100000757094 [0,1,0,1,0,0|2,0,0]=4 22305 B13R1.28 C=CCCCOCC1CCOCC1 34a_100000749013_100000757094 [0,1,0,1,0,0|2,0,0]=4 22306 B13R1.28 C=CCCCOCC1CCOCC1 34a_100000758997_100000754603 [0,1,0,1,0,0|2,0,0]=4 22307 B13R1.28 C=CCCCOCC1CCOCC1 7a_100000758997_100000754603 [0,1,0,1,0,0|2,0,0]=4 22308 B13R1.28 C=CCCCOCC1CCSCC1 34a_100000070558_100000757094 [0,1,0,1,0,0|2,0,0]=4 22309 B13R1.28 C=CCCCOCC1CCSCC1 7a_100000070558_100000757094 [0,1,0,1,0,0|2,0,0]=4 22310 B13R1.28 C=CCCCSCC1CCCCC1 62a_100000211423_100000757094 [0,1,0,1,0,0|1,0,0]=3 22311 B13R1.28 C=CCCCSCC1CCCCC1 62a_100011713584_100000211423 [0,1,0,1,0,0|1,0,0]=3 22312 B13R1.28 C=CCCCSCC1CCCCO1 62a_100000211543_100000757094 [0,1,0,1,0,0|2,0,0]=4 22313 B13R1.28 C=CCCCSCC1CCCCO1 62a_100011713584_100000211543 [0,1,0,1,0,0|2,0,0]=4 22314 B13R1.28 C=CCCCSCC1CCCOC1 62a_100000741521_100000757094 [0,1,0,1,0,0|2,0,0]=4 22315 B13R1.28 C=CCCCSCC1CCCOC1 62a_100011713584_100000741521 [0,1,0,1,0,0|2,0,0]=4 22316 B13R1.28 C=CCCCSCC1CCOCC1 62a_100000754603_100000757094 [0,1,0,1,0,0|2,0,0]=4 22317 B13R1.28 C=CCCCSCC1CCOCC1 62a_100011713584_100000749018 [0,1,0,1,0,0|2,0,0]=4 22318 B13R1.28 C=CCCNCCC1CCCCC1 2230a_100000738074_100000754431 [0,1,0,1,0,0|1,0,0]=3 22319 B13R1.28 C=CCCNCCC1CCCCC1 2230a_100015191253_100012355289 [0,1,0,1,0,0|1,0,0]=3 22320 B13R1.28 C=CCCNCCC1CCCCC1 270004a_100015191253_100011713444 [0,1,0,1,0,0|1,0,0]=3 22321 B13R1.28 C=CCCNCCC1CCCCC1 34a_100000738074_100000754431 [0,1,0,1,0,0|1,0,0]=3 22322 B13R1.28 C=CCCNCCC1CCCCO1 2230a_100015183643_100000754431 [0,1,0,1,0,0|2,0,0]=4 22323 B13R1.28 C=CCCNCCC1CCCCO1 34a_100015183643_100000754431 [0,1,0,1,0,0|2,0,0]=4 22324 B13R1.28 C=CCCNCCC1CCOCC1 2230a_100000755988_100000754431 [0,1,0,1,0,0|2,0,0]=4 22325 B13R1.28 C=CCCNCCC1CCOCC1 2230a_100015191253_100011934994 [0,1,0,1,0,0|2,0,0]=4 22326 B13R1.28 C=CCCNCCC1CCOCC1 34a_100000755988_100000754431 [0,1,0,1,0,0|2,0,0]=4 22327 B13R1.28 C=CCCNCCN1CCCCC1 2230a_100015191253_100000739454 [0,1,0,1,0,0|2,0,0]=4 22328 B13R1.28 C=CCCNCOC1CCCCC1 2230a_100015191253_100011935260 [0,1,0,1,0,0|2,0,0]=4 22329 B13R1.28 C=CCCOCCC1CCCCC1 34a_100011205117_100011209188 [0,1,0,1,0,0|1,0,0]=3 22330 B13R1.28 C=CCCOCCC1CCCCC1 34a_100011217863_100000754431 [0,1,0,1,0,0|1,0,0]=3 22331 B13R1.28 C=CCCOCCC1CCCCC1 7a_100011217863_100000754431 [0,1,0,1,0,0|1,0,0]=3 22332 B13R1.28 C=CCCOCCC1CCCCN1 34a_100000211664_100000754431 [0,1,0,1,0,0|2,0,0]=4 22333 B13R1.28 C=CCCOCCC1CCCNC1 34a_100000752241_100000754431 [0,1,0,1,0,0|2,0,0]=4 22334 B13R1.28 C=CCCOCCC1CCNCC1 34a_100015190746_100000754431 [0,1,0,1,0,0|2,0,0]=4 22335 B13R1.28 C=CCCOCCC1CCOCC1 34a_100011205117_100011934994 [0,1,0,1,0,0|2,0,0]=4 22336 B13R1.28 C=CCCOCCC1CCOCC1 34a_100011933979_100000754431 [0,1,0,1,0,0|2,0,0]=4 22337 B13R1.28 C=CCCOCCC1CCOCC1 7a_100011933979_100000754431 [0,1,0,1,0,0|2,0,0]=4 22338 B13R1.28 C=CCCOCCN1CCCCC1 34a_100011205117_100000739454 [0,1,0,1,0,0|2,0,0]=4 22339 B13R1.28 C=CCCOCOC1CCCCC1 34a_100011205117_100011935260 [0,1,0,1,0,0|2,0,0]=4 22340 B13R1.28 C=CCCSCCC1CCCCC1 62a_100000754431_100012355289 [0,1,0,1,0,0|1,0,0]=3 22341 B13R1.28 C=CCCSCCC1CCCCC1 62a_100012355289_100000754431 [0,1,0,1,0,0|1,0,0]=3 22342 B13R1.28 C=CCCSCCC1CCOCC1 62a_100000754431_100011934994 [0,1,0,1,0,0|2,0,0]=4 22343 B13R1.28 C=CCCSCCC1CCOCC1 62a_100011934994_100000754431 [0,1,0,1,0,0|2,0,0]=4 22344 B13R1.28 C=CCCSCCN1CCCCC1 62a_100000739454_100000754431 [0,1,0,1,0,0|2,0,0]=4 22345 B13R1.28 C=CCCSCCN1CCCCC1 62a_100000754431_100000739454 [0,1,0,1,0,0|2,0,0]=4 22346 B13R1.28 C=CCCSCOC1CCCCC1 62a_100000754431_100011935260 [0,1,0,1,0,0|2,0,0]=4 22347 B13R1.28 C=CCCSCOC1CCCCC1 62a_100011935260_100000754431 [0,1,0,1,0,0|2,0,0]=4 22348 B13R1.28 C=CCNCCCC1CCCCC1 2230a_100011211642_100000210623 [0,1,0,1,0,0|1,0,0]=3 22349 B13R1.28 C=CCNCCCC1CCCCC1 2230a_100020586998_100011713725 [0,1,0,1,0,0|1,0,0]=3 22350 B13R1.28 C=CCNCCCC1CCCCC1 34a_100011211642_100015514636 [0,1,0,1,0,0|1,0,0]=3 22351 B13R1.28 C=CCNCCCN1CCCCC1 2230a_100020586998_100000690320 [0,1,0,1,0,0|2,0,0]=4 22352 B13R1.28 C=CCNCCOC1CCCCC1 2230a_100020586998_100011211530 [0,1,0,1,0,0|2,0,0]=4 22353 B13R1.28 C=CCNCCOC1CCCCC1 34a_100015206981_100015514636 [0,1,0,1,0,0|2,0,0]=4 22354 B13R1.28 C=CCOCCCC1CCCCC1 34a_100000198086_100015514636 [0,1,0,1,0,0|1,0,0]=3 22355 B13R1.28 C=CCOCCCC1CCCCC1 34a_200000210373_100011713725 [0,1,0,1,0,0|1,0,0]=3 22356 B13R1.28 C=CCOCCCC1CCCCC1 7a_100000198086_100015514636 [0,1,0,1,0,0|1,0,0]=3 22357 B13R1.28 C=CCOCCCC1CCCCN1 34a_100011934581_100015514636 [0,1,0,1,0,0|2,0,0]=4 22358 B13R1.28 C=CCOCCCC1CCCNC1 34a_100150707839_100015514636 [0,1,0,1,0,0|2,0,0]=4 22359 B13R1.28 C=CCOCCCC1CCNCC1 34a_100016988962_100015514636 [0,1,0,1,0,0|2,0,0]=4 22360 B13R1.28 C=CCOCCCN1CCCCC1 34a_100000212458_100015514636 [0,1,0,1,0,0|2,0,0]=4 22361 B13R1.28 C=CCOCCCN1CCCCC1 34a_200000210373_100000690320 [0,1,0,1,0,0|2,0,0]=4 22362 B13R1.28 C=CCOCCNC1CCCCC1 34a_100000200466_100015514636 [0,1,0,1,0,0|2,0,0]=4 22363 B13R1.28 C=CCOCCOC1CCCCC1 34a_100000037705_100000210327 [0,1,0,1,0,0|2,0,0]=4 22364 B13R1.28 C=CCOCCOC1CCCCC1 34a_100011249652_100015514636 [0,1,0,1,0,0|2,0,0]=4 22365 B13R1.28 C=CCOCCOC1CCCCC1 34a_200000210373_100011211530 [0,1,0,1,0,0|2,0,0]=4 22366 B13R1.28 C=CCOCCOC1CCCCC1 7a_100000037705_100000210327 [0,1,0,1,0,0|2,0,0]=4 22367 B13R1.28 C=CCOCCOC1CCCCC1 7a_100011249652_100015514636 [0,1,0,1,0,0|2,0,0]=4 22368 B13R1.28 C=CCSCCCC1CCCCC1 62a_100000210623_100011713725 [0,1,0,1,0,0|1,0,0]=3 22369 B13R1.28 C=CCSCCCC1CCCCC1 62a_100011713725_100000210623 [0,1,0,1,0,0|1,0,0]=3 22370 B13R1.28 C=CCSCCCN1CCCCC1 62a_100000210623_100000007876 [0,1,0,1,0,0|2,0,0]=4 22371 B13R1.28 C=CCSCCCN1CCCCC1 62a_100132302099_100000210623 [0,1,0,1,0,0|2,0,0]=4 22372 B13R1.28 C=CCSCCOC1CCCCC1 62a_100000210623_100011211530 [0,1,0,1,0,0|2,0,0]=4 22373 B13R1.28 C=CCSCCOC1CCCCC1 62a_100011211530_100000210623 [0,1,0,1,0,0|2,0,0]=4 22374 B13R1.28 C=COCCCNC1CCCCC1 270004a_100000210767_100000210434 [0,1,0,1,0,0|2,0,0]=4 22375 B13R1.28 C=COCCCNC1CCCCC1 34a_100000210767_100000210327 [0,1,0,1,0,0|2,0,0]=4 22376 B13R1.28 C=COCCNCC1CCCCC1 2230a_100000210473_100000039644 [0,1,0,1,0,0|2,0,0]=4 22377 B13R1.28 C=COCCNCC1CCCCC1 34a_100000210473_100000039644 [0,1,0,1,0,0|2,0,0]=4 22378 B13R1.28 C=COCCOCC1CCCCC1 34a_100000033082_100000211423 [0,1,0,1,0,0|2,0,0]=4 22379 B13R1.28 C=COCCOCC1CCCCC1 34a_100000212181_100000039644 [0,1,0,1,0,0|2,0,0]=4 22380 B13R1.28 C=COCCOCC1CCCCC1 7a_100000212181_100000039644 [0,1,0,1,0,0|2,0,0]=4 22381 B13R1.28 C=COCCSCC1CCCCC1 62a_100000039644_100000211423 [0,1,0,1,0,0|2,0,0]=4 22382 B13R1.28 C=COCCSCC1CCCCC1 62a_100000211423_100000039644 [0,1,0,1,0,0|2,0,0]=4 22383 B13R1.28 CC=CCCCOC1CCCCC1 34a_100020645299_100000210327 [0,1,0,1,0,0|1,0,1]=4 22384 B13R1.28 CC=CCNCCC1CCCCC1 2230a_100000738074_100000070051 [0,1,0,1,0,0|1,0,1]=4 22385 B13R1.28 CC=CCNCCC1CCCCC1 34a_100000738074_100000070051 [0,1,0,1,0,0|1,0,1]=4 22386 B13R1.28 CC=CCOCCC1CCCCC1 34a_100011217863_100000070051 [0,1,0,1,0,0|1,0,1]=4 22387 B13R1.28 CC=CCOCCC1CCCCC1 7a_100011217863_100000070051 [0,1,0,1,0,0|1,0,1]=4 22388 B13R1.28 CC=CCSCCC1CCCCC1 62a_100000070051_100012355289 [0,1,0,1,0,0|1,0,1]=4 22389 B13R1.28 CC=CCSCCC1CCCCC1 62a_100012355289_100000070051 [0,1,0,1,0,0|1,0,1]=4 22390 B13R1.28 CCCCCCCN1CC=CCC1 2230a_100000698166_100000210681 [0,1,0,1,0,0|1,0,1]=4 22391 B13R1.28 CCCCCCCN1CC=CCC1 269982a_100000698166_100000210681 [0,1,0,1,0,0|1,0,1]=4 22392 B13R1.28 CCCCCCCN1CC=CCC1 34a_100000698166_100000210614 [0,1,0,1,0,0|1,0,1]=4 22393 B13R1.28 CCCCCCCN1CCCOC1 2230a_100000131196_100000210681 [0,1,0,1,0,0|2,0,0]=4 22394 B13R1.28 CCCCCCCN1CCCOC1 269982a_100000131196_100000210681 [0,1,0,1,0,0|2,0,0]=4 22395 B13R1.28 CCCCCCCN1CCCOC1 34a_100000131196_100000210614 [0,1,0,1,0,0|2,0,0]=4 22396 B13R1.28 CCCCCCNC1C=CCCC1 2230a_100000210581_100000751183 [0,1,0,1,0,0|1,0,0]=3 22397 B13R1.28 CCCCCCNC1CCCCC1 2230a_100000182618_100000210314 [0,1,0,1,0,0|1,0,1]=4 22398 B13R1.28 CCCCCCNC1CCCCC1 270004a_100000210581_100000210434 [0,1,0,1,0,0|1,0,1]=4 22399 B13R1.28 CCCCCCNC1CCCCC1 34a_100000182618_100000210314 [0,1,0,1,0,0|1,0,1]=4 22400 B13R1.28 CCCCCCNC1CCCOC1 2230a_100000719290_100000210314 [0,1,0,1,0,0|2,0,0]=4 22401 B13R1.28 CCCCCCNC1CCCOC1 270004a_100000210581_100000753404 [0,1,0,1,0,0|2,0,0]=4 22402 B13R1.28 CCCCCCNC1CCCOC1 34a_100000719290_100000210314 [0,1,0,1,0,0|2,0,0]=4 22403 B13R1.28 CCCCCCNC1CCCSC1 270004a_100000210581_100000057913 [0,1,0,1,0,0|2,0,0]=4 22404 B13R1.28 CCCCCCOC1C=CCCC1 34a_100011215024_100000210314 [0,1,0,1,0,0|1,0,0]=3 22405 B13R1.28 CCCCCCOC1C=CCCC1 7a_100000210259_100000751183 [0,1,0,1,0,0|1,0,0]=3 22406 B13R1.28 CCCCCCOC1CC=CCC1 34a_100000073881_100000210314 [0,1,0,1,0,0|1,0,1]=4 22407 B13R1.28 CCCCCCOC1CCCCC1 34a_100000210231_100000210314 [0,1,0,1,0,0|1,0,1]=4 22408 B13R1.28 CCCCCCOC1CCCCC1 34a_100000210259_100000210327 [0,1,0,1,0,0|1,0,1]=4 22409 B13R1.28 CCCCCCOC1CCCCC1 7a_100000210231_100000210314 [0,1,0,1,0,0|1,0,1]=4 22410 B13R1.28 CCCCCCOC1CCCCC1 7a_100000210259_100000210327 [0,1,0,1,0,0|1,0,1]=4 22411 B13R1.28 CCCCCCOC1CCCCO1 34a_100000033831_100000210314 [0,1,0,1,0,0|0,0,2]=4 22412 B13R1.28 CCCCCCOC1CCCOC1 34a_100000210259_100000693364 [0,1,0,1,0,0|2,0,0]=4 22413 B13R1.28 CCCCCCOC1CCCOC1 34a_100000754041_100000210314 [0,1,0,1,0,0|2,0,0]=4 22414 B13R1.28 CCCCCCOC1CCCOC1 7a_100000210259_100000693364 [0,1,0,1,0,0|2,0,0]=4 22415 B13R1.28 CCCCCCOC1CCCSC1 7a_100015962668_100000210314 [0,1,0,1,0,0|2,0,0]=4 22416 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000210314_100000751183 [0,1,0,1,0,0|1,0,0]=3 22417 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000751183_100000210757 [0,1,0,1,0,0|1,0,0]=3 22418 B13R1.28 CCCCCCSC1CCCCC1 62a_100000210314_100000210327 [0,1,0,1,0,0|1,0,1]=4 22419 B13R1.28 CCCCCCSC1CCCCC1 62a_100000210327_100000210757 [0,1,0,1,0,0|1,0,1]=4 22420 B13R1.28 CCCCCCSC1CCCOC1 62a_100000210314_100000693364 [0,1,0,1,0,0|2,0,0]=4 22421 B13R1.28 CCCCCNCC1CC=CCC1 270004a_100000209983_100000189434 [0,1,0,1,0,0|1,0,1]=4 22422 B13R1.28 CCCCCNCC1CCCCC1 2230a_100000209983_100000211423 [0,1,0,1,0,0|1,0,1]=4 22423 B13R1.28 CCCCCNCC1CCCCC1 2230a_100000210473_100000210326 [0,1,0,1,0,0|1,0,1]=4 22424 B13R1.28 CCCCCNCC1CCCCC1 269862a_100000209983_100000211278 [0,1,0,1,0,0|1,0,1]=4 22425 B13R1.28 CCCCCNCC1CCCCC1 34a_100000210473_100000718602 [0,1,0,1,0,0|1,0,1]=4 22426 B13R1.28 CCCCCNCC1CCCCO1 2230a_100000174945_100000210326 [0,1,0,1,0,0|0,0,2]=4 22427 B13R1.28 CCCCCNCC1CCCCO1 2230a_100000209983_100000211543 [0,1,0,1,0,0|0,0,2]=4 22428 B13R1.28 CCCCCNCC1CCCCO1 34a_100000174945_100000718602 [0,1,0,1,0,0|0,0,2]=4 22429 B13R1.28 CCCCCNCC1CCCOC1 2230a_100000209983_100000741521 [0,1,0,1,0,0|2,0,0]=4 22430 B13R1.28 CCCCCNCC1CCCOC1 2230a_100000720124_100000210326 [0,1,0,1,0,0|2,0,0]=4 22431 B13R1.28 CCCCCNCC1CCCOC1 34a_100000720124_100000718602 [0,1,0,1,0,0|2,0,0]=4 22432 B13R1.28 CCCCCOCC1CC=CCC1 34a_100000210713_100000718602 [0,1,0,1,0,0|1,0,1]=4 22433 B13R1.28 CCCCCOCC1CCC=CO1 34a_100011217868_100000718602 [0,1,0,1,0,0|0,0,2]=4 22434 B13R1.28 CCCCCOCC1CCCCC1 34a_100000210253_100000211423 [0,1,0,1,0,0|1,0,1]=4 22435 B13R1.28 CCCCCOCC1CCCCC1 34a_100000212181_100000718602 [0,1,0,1,0,0|1,0,1]=4 22436 B13R1.28 CCCCCOCC1CCCCC1 7a_100000210253_100000211423 [0,1,0,1,0,0|1,0,1]=4 22437 B13R1.28 CCCCCOCC1CCCCC1 7a_100000212181_100000210326 [0,1,0,1,0,0|1,0,1]=4 22438 B13R1.28 CCCCCOCC1CCCCN1 34a_100000210821_100000718602 [0,1,0,1,0,0|1,0,1]=4 22439 B13R1.28 CCCCCOCC1CCCCO1 34a_100000210253_100000211543 [0,1,0,1,0,0|0,0,2]=4 22440 B13R1.28 CCCCCOCC1CCCCO1 34a_100000211370_100000718602 [0,1,0,1,0,0|0,0,2]=4 22441 B13R1.28 CCCCCOCC1CCCCO1 7a_100000210253_100000211543 [0,1,0,1,0,0|0,0,2]=4 22442 B13R1.28 CCCCCOCC1CCCCO1 7a_100000211370_100000210326 [0,1,0,1,0,0|0,0,2]=4 22443 B13R1.28 CCCCCOCC1CCCNC1 34a_100000211344_100000718602 [0,1,0,1,0,0|2,0,0]=4 22444 B13R1.28 CCCCCOCC1CCCOC1 34a_100000210253_100000741521 [0,1,0,1,0,0|2,0,0]=4 22445 B13R1.28 CCCCCOCC1CCCOC1 34a_100000741520_100000718602 [0,1,0,1,0,0|2,0,0]=4 22446 B13R1.28 CCCCCOCC1CCCOC1 7a_100000210253_100000741521 [0,1,0,1,0,0|2,0,0]=4 22447 B13R1.28 CCCCCSCC1CCCCC1 62a_100000210326_100000211423 [0,1,0,1,0,0|1,0,1]=4 22448 B13R1.28 CCCCCSCC1CCCCC1 62a_100000211423_100000210326 [0,1,0,1,0,0|1,0,1]=4 22449 B13R1.28 CCCCCSCC1CCCCO1 62a_100000210326_100000211543 [0,1,0,1,0,0|0,0,2]=4 22450 B13R1.28 CCCCCSCC1CCCCO1 62a_100000211543_100000210326 [0,1,0,1,0,0|0,0,2]=4 22451 B13R1.28 CCCCCSCC1CCCOC1 62a_100000210326_100000741521 [0,1,0,1,0,0|2,0,0]=4 22452 B13R1.28 CCCCCSCC1CCCOC1 62a_100000741521_100000210326 [0,1,0,1,0,0|2,0,0]=4 22453 B13R1.28 CCCCNCCC1CCCCC1 2230a_100000102301_100012355289 [0,1,0,1,0,0|1,0,1]=4 22454 B13R1.28 CCCCNCCC1CCCCC1 2230a_100000738074_100000210211 [0,1,0,1,0,0|1,0,1]=4 22455 B13R1.28 CCCCNCCC1CCCCC1 270004a_100000102301_100011713444 [0,1,0,1,0,0|1,0,1]=4 22456 B13R1.28 CCCCNCCC1CCCCC1 34a_100000738074_100000210210 [0,1,0,1,0,0|1,0,1]=4 22457 B13R1.28 CCCCNCCC1CCCCC1 7a_106832991798_100011273959 [0,1,0,1,0,0|1,0,1]=4 22458 B13R1.28 CCCCNCCC1CCCCO1 2230a_100015183643_100000210211 [0,1,0,1,0,0|0,0,2]=4 22459 B13R1.28 CCCCNCCC1CCCCO1 34a_100015183643_100000210210 [0,1,0,1,0,0|0,0,2]=4 22460 B13R1.28 CCCCOCCC1CCCCC1 34a_100000210227_100011209188 [0,1,0,1,0,0|1,0,1]=4 22461 B13R1.28 CCCCOCCC1CCCCC1 34a_100011217863_100000210210 [0,1,0,1,0,0|1,0,1]=4 22462 B13R1.28 CCCCOCCC1CCCCC1 7a_100000210227_100011273959 [0,1,0,1,0,0|1,0,1]=4 22463 B13R1.28 CCCCOCCC1CCCCC1 7a_100011217863_100000210211 [0,1,0,1,0,0|1,0,1]=4 22464 B13R1.28 CCCCOCCC1CCCCN1 34a_100000211664_100000210210 [0,1,0,1,0,0|1,0,1]=4 22465 B13R1.28 CCCCOCCC1CCCNC1 34a_100000752241_100000210210 [0,1,0,1,0,0|2,0,0]=4 22466 B13R1.28 CCCCOCOC1C=CCCC1 34a_100011215024_100011995733 [0,1,0,1,0,0|2,0,0]=4 22467 B13R1.28 CCCCOCSC1C=CCCC1 62a_100000751183_100011995733 [0,1,0,1,0,0|2,0,0]=4 22468 B13R1.28 CCCCOCSC1C=CCCC1 62a_100011995733_100000751183 [0,1,0,1,0,0|2,0,0]=4 22469 B13R1.28 CCCCSCCC1CCCCC1 62a_100000210211_100012355289 [0,1,0,1,0,0|1,0,1]=4 22470 B13R1.28 CCCCSCCC1CCCCC1 62a_100012355289_100000210210 [0,1,0,1,0,0|1,0,1]=4 22471 B13R1.28 CCCNCCCC1CCCCC1 2230a_100011211642_100000210303 [0,1,0,1,0,0|1,0,1]=4 22472 B13R1.28 CCCNCCCC1CCCCC1 34a_100011211642_100000210303 [0,1,0,1,0,0|1,0,1]=4 22473 B13R1.28 CCCOCCCC1CCCCC1 34a_100000198086_100000210303 [0,1,0,1,0,0|1,0,1]=4 22474 B13R1.28 CCCOCCCC1CCCCC1 34a_100000210258_100011713725 [0,1,0,1,0,0|1,0,1]=4 22475 B13R1.28 CCCOCCCC1CCCCC1 7a_100000198086_100000210303 [0,1,0,1,0,0|1,0,1]=4 22476 B13R1.28 CCCOCCCC1CCCCN1 34a_100011934581_100000210303 [0,1,0,1,0,0|1,0,1]=4 22477 B13R1.28 CCCOCCCC1CCCNC1 34a_100150707839_100000210303 [0,1,0,1,0,0|2,0,0]=4 22478 B13R1.28 CCCOCCNC1C=CCCC1 2230a_100161115042_100000751183 [0,1,0,1,0,0|2,0,0]=4 22479 B13R1.28 CCCOCCOC1C=CCCC1 34a_100011215024_100011215938 [0,1,0,1,0,0|2,0,0]=4 22480 B13R1.28 CCCOCCOC1C=CCCC1 7a_100000752267_100000751183 [0,1,0,1,0,0|2,0,0]=4 22481 B13R1.28 CCCOCCSC1C=CCCC1 62a_100000751183_100011215938 [0,1,0,1,0,0|2,0,0]=4 22482 B13R1.28 CCCOCCSC1C=CCCC1 62a_100011215938_100000751183 [0,1,0,1,0,0|2,0,0]=4 22483 B13R1.28 CCCSCCCC1CCCCC1 62a_100000210303_100011713725 [0,1,0,1,0,0|1,0,1]=4 22484 B13R1.28 CCCSCCCC1CCCCC1 62a_100011713725_100000210303 [0,1,0,1,0,0|1,0,1]=4 22485 B13R1.28 CCCSCCNC1C=CCCC1 2230a_100020603323_100000751183 [0,1,0,1,0,0|2,0,0]=4 22486 B13R1.28 CCCSCCOC1C=CCCC1 7a_200000230433_100000751183 [0,1,0,1,0,0|2,0,0]=4 22487 B13R1.28 CCOCCCCC1CCCCC1 34a_100011215267_100000210202 [0,1,0,1,0,0|1,0,1]=4 22488 B13R1.28 CCOCCCCC1CCCCC1 7a_100011215267_100000210202 [0,1,0,1,0,0|1,0,1]=4 22489 B13R1.28 CCOCCCNC1C=CCCC1 2230a_100000210961_100000751183 [0,1,0,1,0,0|2,0,0]=4 22490 B13R1.28 CCOCCCOC1C=CCCC1 34a_100011215024_100012232248 [0,1,0,1,0,0|2,0,0]=4 22491 B13R1.28 CCOCCCOC1C=CCCC1 7a_100000757476_100000751183 [0,1,0,1,0,0|2,0,0]=4 22492 B13R1.28 CCOCCCSC1C=CCCC1 62a_100000751183_100012232248 [0,1,0,1,0,0|2,0,0]=4 22493 B13R1.28 CCOCCCSC1C=CCCC1 62a_100012232248_100000751183 [0,1,0,1,0,0|2,0,0]=4 22494 B13R1.28 CCSCCCOC1C=CCCC1 7a_100011216438_100000751183 [0,1,0,1,0,0|2,0,0]=4 22495 B13R1.28 CNCCCOCC1CCCCC1 34a_100000213112_100000211423 [0,1,0,1,0,0|2,0,0]=4 22496 B13R1.28 COCCCCCN1CCCCC1 34a_100011216611_200000210301 [0,1,0,1,0,0|2,0,0]=4 22497 B13R1.28 COCCCCCN1CCCCC1 7a_100011216611_200000210301 [0,1,0,1,0,0|2,0,0]=4 22498 B13R1.28 COCCCCNC1CCCCC1 2230a_100000182618_100000730899 [0,1,0,1,0,0|2,0,0]=4 22499 B13R1.28 COCCCCNC1CCCCC1 34a_100000182618_100000755781 [0,1,0,1,0,0|2,0,0]=4 22500 B13R1.28 COCCCCOC1C=CCCC1 34a_100011215024_100000755781 [0,1,0,1,0,0|2,0,0]=4 22501 B13R1.28 COCCCCOC1CCCCC1 34a_100000210231_100000755781 [0,1,0,1,0,0|2,0,0]=4 22502 B13R1.28 COCCCCOC1CCCCC1 34a_100000740925_100000210327 [0,1,0,1,0,0|2,0,0]=4 22503 B13R1.28 COCCCCOC1CCCCC1 7a_100000210231_100000730899 [0,1,0,1,0,0|2,0,0]=4 22504 B13R1.28 COCCCCSC1C=CCCC1 62a_100000730899_100000751183 [0,1,0,1,0,0|2,0,0]=4 22505 B13R1.28 COCCCCSC1C=CCCC1 62a_100000751183_100000730899 [0,1,0,1,0,0|2,0,0]=4 22506 B13R1.28 COCCCCSC1CCCCC1 62a_100000210327_100000730899 [0,1,0,1,0,0|2,0,0]=4 22507 B13R1.28 COCCCCSC1CCCCC1 62a_100000730899_100000210327 [0,1,0,1,0,0|2,0,0]=4 22508 B13R1.28 COCCCNCC1CCCCC1 2230a_100000210473_100000740836 [0,1,0,1,0,0|2,0,0]=4 22509 B13R1.28 COCCCNCC1CCCCC1 269862a_100150723488_100000211278 [0,1,0,1,0,0|2,0,0]=4 22510 B13R1.28 COCCCNCC1CCCCC1 34a_100000210473_100000740836 [0,1,0,1,0,0|2,0,0]=4 22511 B13R1.28 COCCCNCC1CCCCC1 34a_100150723488_100000211423 [0,1,0,1,0,0|2,0,0]=4 22512 B13R1.28 COCCCOCC1CCCCC1 34a_100000212181_100000740836 [0,1,0,1,0,0|2,0,0]=4 22513 B13R1.28 COCCCOCC1CCCCC1 34a_100000740835_100000211423 [0,1,0,1,0,0|2,0,0]=4 22514 B13R1.28 COCCCOCC1CCCCC1 7a_100000212181_100000740836 [0,1,0,1,0,0|2,0,0]=4 22515 B13R1.28 COCCCSCC1CCCCC1 62a_100000211423_100000709357 [0,1,0,1,0,0|2,0,0]=4 22516 B13R1.28 COCCCSCC1CCCCC1 62a_100000709357_100000211423 [0,1,0,1,0,0|2,0,0]=4 22517 B13R1.28 COCCNCCC1CCCCC1 2230a_100000209980_100012355289 [0,1,0,1,0,0|2,0,0]=4 22518 B13R1.28 COCCNCCC1CCCCC1 2230a_100000738074_100011201679 [0,1,0,1,0,0|2,0,0]=4 22519 B13R1.28 COCCNCCC1CCCCC1 270004a_100000209980_100011713444 [0,1,0,1,0,0|2,0,0]=4 22520 B13R1.28 COCCNCCC1CCCCC1 34a_100000738074_100011201679 [0,1,0,1,0,0|2,0,0]=4 22521 B13R1.28 COCCOCCC1CCCCC1 34a_100000210237_100011209188 [0,1,0,1,0,0|2,0,0]=4 22522 B13R1.28 COCCOCCC1CCCCC1 34a_100011217863_100011201679 [0,1,0,1,0,0|2,0,0]=4 22523 B13R1.28 COCCOCCC1CCCCC1 7a_100011217863_100000233755 [0,1,0,1,0,0|2,0,0]=4 22524 B13R1.28 COCCSCCC1CCCCC1 62a_100000233755_100012355289 [0,1,0,1,0,0|2,0,0]=4 22525 B13R1.28 COCCSCCC1CCCCC1 62a_100012355289_100000233755 [0,1,0,1,0,0|2,0,0]=4 22526 B13R1.28 COCNCCCC1CCCCC1 2230a_100011211642_100000766300 [0,1,0,1,0,0|2,0,0]=4 22527 B13R1.28 COCSCCCC1CCCCC1 62a_100000766300_100011713725 [0,1,0,1,0,0|2,0,0]=4 22528 B13R1.28 COCSCCCC1CCCCC1 62a_100011713725_100000766300 [0,1,0,1,0,0|2,0,0]=4 22529 B13R1.28 CSCCCCOC1C=CCCC1 7a_100011217163_100000751183 [0,1,0,1,0,0|2,0,0]=4 22530 B13R1.28 CSCCCCOC1CCCCC1 34a_100011217163_100000210327 [0,1,0,1,0,0|2,0,0]=4 22531 B13R1.28 CSCCCCOC1CCCCC1 7a_100011217163_100000210327 [0,1,0,1,0,0|2,0,0]=4 22532 B13R1.28 CSCCCNCC1CCCCC1 2230a_100000749238_100000211423 [0,1,0,1,0,0|2,0,0]=4 22533 B13R1.28 CSCCCNCC1CCCCC1 269862a_100000749238_100000211278 [0,1,0,1,0,0|2,0,0]=4 22534 B13R1.28 CSCCCOCC1CCCCC1 34a_100000690336_100000211423 [0,1,0,1,0,0|2,0,0]=4 22535 B13R1.28 CSCCCOCC1CCCCC1 7a_100000690336_100000211423 [0,1,0,1,0,0|2,0,0]=4 22536 B13R1.28 CSCCNCCC1CCCCC1 2230a_100000738074_100000751147 [0,1,0,1,0,0|2,0,0]=4 22537 B13R1.28 CSCCNCCC1CCCCC1 2230a_100020590264_100012355289 [0,1,0,1,0,0|2,0,0]=4 22538 B13R1.28 CSCCNCCC1CCCCC1 270004a_100020590264_100011713444 [0,1,0,1,0,0|2,0,0]=4 22539 B13R1.28 CSCCNCCC1CCCCC1 34a_100000738074_100000212216 [0,1,0,1,0,0|2,0,0]=4 22540 B13R1.28 CSCCOCCC1CCCCC1 34a_100000230434_100011209188 [0,1,0,1,0,0|2,0,0]=4 22541 B13R1.28 CSCCOCCC1CCCCC1 34a_100011217863_100000212216 [0,1,0,1,0,0|2,0,0]=4 22542 B13R1.28 CSCCOCCC1CCCCC1 7a_100000230434_100011273959 [0,1,0,1,0,0|2,0,0]=4 22543 B13R1.28 CSCCOCCC1CCCCC1 7a_100011217863_100000212216 [0,1,0,1,0,0|2,0,0]=4 22544 B13R1.28 CSCCSCCC1CCCCC1 62a_100000212216_100012355289 [0,1,0,1,0,0|2,0,0]=4 22545 B13R1.28 CSCCSCCC1CCCCC1 62a_100012355289_100000751147 [0,1,0,1,0,0|2,0,0]=4 22546 B13R1.28 CSCNCCCC1CCCCC1 2230a_100011211642_100011218213 [0,1,0,1,0,0|2,0,0]=4 22547 B13R1.28 CSCNCCCC1CCCCC1 34a_100011211642_100011218213 [0,1,0,1,0,0|2,0,0]=4 22548 B13R1.28 CSCOCCCC1CCCCC1 34a_100000198086_100011218213 [0,1,0,1,0,0|2,0,0]=4 22549 B13R1.28 CSCSCCCC1CCCCC1 62a_100011218213_100011713725 [0,1,0,1,0,0|2,0,0]=4 22550 B13R1.28 CSCSCCCC1CCCCC1 62a_100011713725_100011218213 [0,1,0,1,0,0|2,0,0]=4 22551 B13R1.28 ClCCCCCOC1C=CCCC1 7a_100000746330_100000751183 [0,1,0,1,0,0|2,0,0]=4 22552 B13R1.28 ClCCCCCOC1CCCCC1 34a_100000746330_100000210327 [0,1,0,1,0,0|1,0,1]=4 22553 B13R1.28 ClCCCCCOC1CCCCC1 7a_100000746330_100000210327 [0,1,0,1,0,0|1,0,1]=4 22554 B13R1.28 ClCCCCOCC1CCCCC1 34a_100000210776_100000211423 [0,1,0,1,0,0|1,0,1]=4 22555 B13R1.28 ClCCCCOCC1CCCCC1 7a_100000210776_100000211423 [0,1,0,1,0,0|1,0,1]=4 22556 B13R1.28 ClCCCOCCC1CCCCC1 34a_100000230001_100011209188 [0,1,0,1,0,0|1,0,1]=4 22557 B13R1.28 FCCCCCNC1CCCCC1 2230a_100000182618_100000729378 [0,1,0,1,0,0|1,0,1]=4 22558 B13R1.28 FCCCCCNC1CCCCC1 34a_100000182618_100000729378 [0,1,0,1,0,0|1,0,1]=4 22559 B13R1.28 FCCCCCOC1C=CCCC1 34a_100011215024_100000729378 [0,1,0,1,0,0|2,0,0]=4 22560 B13R1.28 FCCCCCOC1CCCCC1 34a_100000210231_100000729378 [0,1,0,1,0,0|1,0,1]=4 22561 B13R1.28 FCCCCCOC1CCCCC1 7a_100000210231_100000729378 [0,1,0,1,0,0|1,0,1]=4 22562 B13R1.28 FCCCCCSC1C=CCCC1 62a_100000729378_100000751183 [0,1,0,1,0,0|2,0,0]=4 22563 B13R1.28 FCCCCCSC1C=CCCC1 62a_100000751183_100000729378 [0,1,0,1,0,0|2,0,0]=4 22564 B13R1.28 FCCCCCSC1CCCCC1 62a_100000210327_100000729378 [0,1,0,1,0,0|1,0,1]=4 22565 B13R1.28 FCCCCCSC1CCCCC1 62a_100000729378_100000210327 [0,1,0,1,0,0|1,0,1]=4 22566 B13R1.28 FCCCCNCC1CCCCC1 2230a_100000210473_100000729493 [0,1,0,1,0,0|1,0,1]=4 22567 B13R1.28 FCCCCNCC1CCCCC1 34a_100000210473_100000729493 [0,1,0,1,0,0|1,0,1]=4 22568 B13R1.28 FCCCCOCC1CCCCC1 34a_100000212181_100000729493 [0,1,0,1,0,0|1,0,1]=4 22569 B13R1.28 FCCCCOCC1CCCCC1 34a_100011995726_100000211423 [0,1,0,1,0,0|1,0,1]=4 22570 B13R1.28 FCCCCOCC1CCCCC1 7a_100000212181_100000729493 [0,1,0,1,0,0|1,0,1]=4 22571 B13R1.28 FCCCCOCC1CCCCC1 7a_100011995726_100000211423 [0,1,0,1,0,0|1,0,1]=4 22572 B13R1.28 FCCCCSCC1CCCCC1 62a_100000211423_100000729493 [0,1,0,1,0,0|1,0,1]=4 22573 B13R1.28 FCCCCSCC1CCCCC1 62a_100000729493_100000211423 [0,1,0,1,0,0|1,0,1]=4 22574 B13R1.28 FCCCNCCC1CCCCC1 2230a_100000738074_100011934791 [0,1,0,1,0,0|1,0,1]=4 22575 B13R1.28 FCCCNCCC1CCCCC1 2230a_100015189416_100012355289 [0,1,0,1,0,0|1,0,1]=4 22576 B13R1.28 FCCCNCCC1CCCCC1 270004a_100015189416_100011713444 [0,1,0,1,0,0|1,0,1]=4 22577 B13R1.28 FCCCNCCC1CCCCC1 34a_100000738074_100011934791 [0,1,0,1,0,0|1,0,1]=4 22578 B13R1.28 FCCCNCCC1CCCCC1 34a_100015189416_100011209188 [0,1,0,1,0,0|1,0,1]=4 22579 B13R1.28 FCCCOCCC1CCCCC1 34a_100000759539_100011209188 [0,1,0,1,0,0|1,0,1]=4 22580 B13R1.28 FCCCOCCC1CCCCC1 34a_100011217863_100011934791 [0,1,0,1,0,0|1,0,1]=4 22581 B13R1.28 FCCCOCCC1CCCCC1 7a_100011217863_100011934791 [0,1,0,1,0,0|1,0,1]=4 22582 B13R1.28 FCCCSCCC1CCCCC1 62a_100011934791_100012355289 [0,1,0,1,0,0|1,0,1]=4 22583 B13R1.28 FCCCSCCC1CCCCC1 62a_100012355289_100011934791 [0,1,0,1,0,0|1,0,1]=4 22584 B13R1.28 FCCNCCCC1CCCCC1 2230a_100011211642_100011217306 [0,1,0,1,0,0|1,0,1]=4 22585 B13R1.28 FCCNCCCC1CCCCC1 34a_100000724931_100011713725 [0,1,0,1,0,0|1,0,1]=4 22586 B13R1.28 FCCNCCCC1CCCCC1 34a_100011211642_100011217306 [0,1,0,1,0,0|1,0,1]=4 22587 B13R1.28 FCCOCCCC1CCCCC1 34a_100000198086_100011217306 [0,1,0,1,0,0|1,0,1]=4 22588 B13R1.28 FCCOCCCC1CCCCC1 7a_100000198086_100011217306 [0,1,0,1,0,0|1,0,1]=4 22589 B13R1.28 FCCSCCCC1CCCCC1 62a_100011217306_100011713725 [0,1,0,1,0,0|1,0,1]=4 22590 B13R1.28 FCCSCCCC1CCCCC1 62a_100011713725_100011217306 [0,1,0,1,0,0|1,0,1]=4 22591 B13R1.28 FCOCCCCC1CCCCC1 34a_100011215267_100015361967 [0,1,0,1,0,0|1,0,1]=4 22592 B13R1.28 FCOCCCCC1CCCCC1 7a_100011215267_100015361967 [0,1,0,1,0,0|1,0,1]=4 22593 B13R1.28 ICCCCCOC1C=CCCC1 7a_200012148887_100000751183 [0,1,0,1,0,0|2,0,0]=4 22594 B13R1.28 ICCCCCOC1CCCCC1 34a_200012148887_100000210327 [0,1,0,1,0,0|1,0,1]=4 22595 B13R1.28 ICCCCCOC1CCCCC1 7a_200012148887_100000210327 [0,1,0,1,0,0|1,0,1]=4 22596 B13R1.28 ICCCCOCC1CCCCC1 34a_200012148704_100000211423 [0,1,0,1,0,0|1,0,1]=4 22597 B13R1.28 N#CCCCCNC1CCCCC1 2230a_100000182618_100000211819 [0,1,0,1,0,0|1,0,1]=4 22598 B13R1.28 N#CCCCCNC1CCCCC1 270004a_100000751965_100000210434 [0,1,0,1,0,0|1,0,1]=4 22599 B13R1.28 N#CCCCCOC1CCCCC1 7a_100000210231_100000211819 [0,1,0,1,0,0|1,0,1]=4 22600 B13R1.28 N#CCCCCSC1CCCCC1 62a_100000210327_100000211819 [0,1,0,1,0,0|1,0,1]=4 22601 B13R1.28 N#CCCCCSC1CCCCC1 62a_100011219923_100000210327 [0,1,0,1,0,0|1,0,1]=4 22602 B13R1.28 N#CCCCNCC1CCCCC1 2230a_100000210473_100000687738 [0,1,0,1,0,0|1,0,1]=4 22603 B13R1.28 N#CCCCOCC1CCCCC1 7a_100000212181_100000687738 [0,1,0,1,0,0|1,0,1]=4 22604 B13R1.28 N#CCCCSCC1CCCCC1 62a_100000211423_100000687738 [0,1,0,1,0,0|1,0,1]=4 22605 B13R1.28 N#CCCCSCC1CCCCC1 62a_100000687738_100000211423 [0,1,0,1,0,0|1,0,1]=4 22606 B13R1.28 N#CCCNCCC1CCCCC1 2230a_100000738074_100011215226 [0,1,0,1,0,0|1,0,1]=4 22607 B13R1.28 N#CCCNCCC1CCCCC1 270004a_100000720768_100011713444 [0,1,0,1,0,0|1,0,1]=4 22608 B13R1.28 N#CCCOCCC1CCCCC1 7a_100011217863_100000184422 [0,1,0,1,0,0|1,0,1]=4 22609 B13R1.28 N#CCCSCCC1CCCCC1 62a_100011215226_100012355289 [0,1,0,1,0,0|1,0,1]=4 22610 B13R1.28 N#CCCSCCC1CCCCC1 62a_100012355289_100011215226 [0,1,0,1,0,0|1,0,1]=4 22611 B13R1.28 N#CCNCCCC1CCCCC1 2230a_100011211642_100011215382 [0,1,0,1,0,0|1,0,1]=4 22612 B13R1.28 N#CCOCCCC1CCCCC1 7a_100000198086_100011215382 [0,1,0,1,0,0|1,0,1]=4 22613 B13R1.28 N#CCSCCCC1CCCCC1 62a_100011215382_100011713725 [0,1,0,1,0,0|1,0,1]=4 22614 B13R1.28 N#CCSCCCC1CCCCC1 62a_100011713725_100011215382 [0,1,0,1,0,0|1,0,1]=4 22615 B13R1.28 NCCCCCOC1CCCCC1 34a_100000762737_100000210327 [0,1,0,1,0,0|1,0,1]=4 22616 B13R1.28 NCCCCOCC1CCCCC1 34a_100000750430_100000211423 [0,1,0,1,0,0|1,0,1]=4 22617 B13R1.28 NCCCOCCC1CCCCC1 34a_100000182051_100011209188 [0,1,0,1,0,0|1,0,1]=4 22618 B13R1.28 NCCOCCCC1CCCCC1 34a_100000210304_100011713725 [0,1,0,1,0,0|1,0,1]=4 22619 B13R1.28 NOCCOCCC1CCCCC1 34a_100000700252_100011209188 [0,1,0,1,0,0|2,0,0]=4 22620 B13R1.28 O=CCCCCCN1CC=CCC1 2230a_100000698166_100000139337 [0,1,0,1,0,0|0,0,2]=4 22621 B13R1.28 O=CCCCCCN1CC=CCC1 269982a_100000698166_100000139337 [0,1,0,1,0,0|0,0,2]=4 22622 B13R1.28 O=CCCCCCN1CCCOC1 2230a_100000131196_100000139337 [0,1,0,1,0,0|1,0,0]=3 22623 B13R1.28 O=CCCCCCN1CCCOC1 269982a_100000131196_100000139337 [0,1,0,1,0,0|1,0,0]=3 22624 B13R1.28 O=CCCCCCN1CCOCC1 2230a_100015191051_100000139337 [0,1,0,1,0,0|1,0,0]=3 22625 B13R1.28 O=CCCCCCN1CCOCC1 269982a_100015191051_100000139337 [0,1,0,1,0,0|1,0,0]=3 22626 B13R1.28 O=CCCCCCN1CCSCC1 2230a_100000737611_100000139337 [0,1,0,1,0,0|1,0,0]=3 22627 B13R1.28 O=CCCCCCN1CCSCC1 269982a_100000737611_100000139337 [0,1,0,1,0,0|1,0,0]=3 22628 B13R1.28 O=CCCCCNC1CCCCC1 2230a_100000182618_100000139335 [0,1,0,1,0,0|0,0,0]=2 22629 B13R1.28 O=CCCCCNC1CCCOC1 2230a_100000719290_100000139335 [0,1,0,1,0,0|1,0,0]=3 22630 B13R1.28 O=CCCCCNC1CCOCC1 2230a_100000741149_100000139335 [0,1,0,1,0,0|1,0,0]=3 22631 B13R1.28 O=CCCCCNC1CCSCC1 2230a_100000748639_100000139335 [0,1,0,1,0,0|1,0,0]=3 22632 B13R1.28 O=CCCCCOC1CCCCC1 7a_100000210231_100000139335 [0,1,0,1,0,0|0,0,0]=2 22633 B13R1.28 O=CCCCCOC1CCCSC1 7a_100015962668_100000139335 [0,1,0,1,0,0|1,0,0]=3 22634 B13R1.28 O=CCCCCOC1CCSCC1 7a_100000731022_100000139335 [0,1,0,1,0,0|1,0,0]=3 22635 B13R1.28 O=CCCCCSC1C=CCCC1 62a_100000139335_100000751183 [0,1,0,1,0,0|0,0,2]=4 22636 B13R1.28 O=CCCCCSC1C=CCCC1 62a_100000751183_100000139335 [0,1,0,1,0,0|0,0,2]=4 22637 B13R1.28 O=CCCCCSC1CCCCC1 62a_100000139335_100000210327 [0,1,0,1,0,0|0,0,0]=2 22638 B13R1.28 O=CCCCCSC1CCCCC1 62a_100000210327_100000139335 [0,1,0,1,0,0|0,0,0]=2 22639 B13R1.28 O=CCCCCSC1CCCOC1 62a_100000139335_100000693364 [0,1,0,1,0,0|1,0,0]=3 22640 B13R1.28 O=CCCCCSC1CCOCC1 62a_100000139335_100011324220 [0,1,0,1,0,0|1,0,0]=3 22641 B13R1.28 O=CCCCCSC1CCSCC1 62a_100000139335_100000069128 [0,1,0,1,0,0|1,0,0]=3 22642 B13R1.28 O=CCCCNCC1CCCCC1 2230a_100000210473_200011292268 [0,1,0,1,0,0|0,0,0]=2 22643 B13R1.28 O=CCCCNCC1CCCCO1 2230a_100000174945_200011292268 [0,1,0,1,0,0|1,0,0]=3 22644 B13R1.28 O=CCCCNCC1CCCOC1 2230a_100000720124_200011292268 [0,1,0,1,0,0|1,0,0]=3 22645 B13R1.28 O=CCCCNCC1CCOCC1 2230a_100000746373_200011292268 [0,1,0,1,0,0|1,0,0]=3 22646 B13R1.28 O=CCCCNCC1CCSCC1 2230a_100015188806_200011292268 [0,1,0,1,0,0|1,0,0]=3 22647 B13R1.28 O=CCCCNC[C@H]1COCCO1 2230a_100010981119_200011292268 [0,1,0,1,0,0|2,0,0]=4 22648 B13R1.28 O=CCCCOCC1CCCCC1 7a_100000212181_200011292268 [0,1,0,1,0,0|0,0,0]=2 22649 B13R1.28 O=CCCCOCC1CCCCO1 7a_100000211370_200011292268 [0,1,0,1,0,0|1,0,0]=3 22650 B13R1.28 O=CCCCOCC1CCSCC1 7a_100000070558_200011292268 [0,1,0,1,0,0|1,0,0]=3 22651 B13R1.28 O=CCCCSCC1CCCCC1 62a_100000211423_200011292268 [0,1,0,1,0,0|0,0,0]=2 22652 B13R1.28 O=CCCCSCC1CCCCC1 62a_200011292268_100000211423 [0,1,0,1,0,0|0,0,0]=2 22653 B13R1.28 O=CCCCSCC1CCCCO1 62a_100000211543_200011292268 [0,1,0,1,0,0|1,0,0]=3 22654 B13R1.28 O=CCCCSCC1CCCCO1 62a_200011292268_100000211543 [0,1,0,1,0,0|1,0,0]=3 22655 B13R1.28 O=CCCCSCC1CCCOC1 62a_100000741521_200011292268 [0,1,0,1,0,0|1,0,0]=3 22656 B13R1.28 O=CCCCSCC1CCCOC1 62a_200011292268_100000741521 [0,1,0,1,0,0|1,0,0]=3 22657 B13R1.28 O=CCCCSCC1CCOCC1 62a_100000754603_200011292268 [0,1,0,1,0,0|1,0,0]=3 22658 B13R1.28 O=CCCCSCC1CCOCC1 62a_200011292268_100000749018 [0,1,0,1,0,0|1,0,0]=3 22659 B13R1.28 O=CCNCCCC1CCCCC1 2230a_100011211642_200015260668 [0,1,0,1,0,0|0,0,0]=2 22660 B13R1.28 O=CCNCCCC1CCCCC1 34a_100011211642_200009817547 [0,1,0,1,0,0|0,0,0]=2 22661 B13R1.28 O=CCNCCOC1CCCCC1 34a_100015206981_200009817547 [0,1,0,1,0,0|1,0,0]=3 22662 B13R1.28 O=CCOCCCC1CCCCC1 34a_100000198086_200009817547 [0,1,0,1,0,0|0,0,0]=2 22663 B13R1.28 O=CCOCCCC1CCCCC1 7a_100000198086_200015260668 [0,1,0,1,0,0|0,0,0]=2 22664 B13R1.28 O=CCOCCCC1CCCCN1 34a_100011934581_200009817547 [0,1,0,1,0,0|1,0,0]=3 22665 B13R1.28 O=CCOCCCC1CCCNC1 34a_100150707839_200009817547 [0,1,0,1,0,0|1,0,0]=3 22666 B13R1.28 O=CCOCCCC1CCNCC1 34a_100016988962_200009817547 [0,1,0,1,0,0|1,0,0]=3 22667 B13R1.28 O=CCOCCCN1CCCCC1 34a_100000212458_200009817547 [0,1,0,1,0,0|1,0,0]=3 22668 B13R1.28 O=CCOCCCN1CCOCC1 34a_100000212840_200009817547 [0,1,0,1,0,0|2,0,0]=4 22669 B13R1.28 O=CCOCCNC1CCCCC1 34a_100000200466_200009817547 [0,1,0,1,0,0|1,0,0]=3 22670 B13R1.28 O=CCOCCNC1CCOCC1 34a_100000708129_200009817547 [0,1,0,1,0,0|2,0,0]=4 22671 B13R1.28 O=CCOCCOC1CCCCC1 34a_100011249652_200009817547 [0,1,0,1,0,0|1,0,0]=3 22672 B13R1.28 O=CCOCCOC1CCCCC1 7a_100011249652_200015260668 [0,1,0,1,0,0|1,0,0]=3 22673 B13R1.28 O=CCOCCOC1CCCCO1 34a_100000034223_200009817547 [0,1,0,1,0,0|2,0,0]=4 22674 B13R1.28 O=CCOCCOC1CCCCO1 7a_100000034223_200015260668 [0,1,0,1,0,0|2,0,0]=4 22675 B13R1.28 O=CCSCCCC1CCCCC1 62a_100011713725_200015260668 [0,1,0,1,0,0|0,0,0]=2 22676 B13R1.28 O=CCSCCCC1CCCCC1 62a_200015260668_100011713725 [0,1,0,1,0,0|0,0,0]=2 22677 B13R1.28 O=CCSCCCN1CCCCC1 62a_100132302099_200015260668 [0,1,0,1,0,0|1,0,0]=3 22678 B13R1.28 O=CCSCCCN1CCCCC1 62a_200015260668_100000007876 [0,1,0,1,0,0|1,0,0]=3 22679 B13R1.28 O=CCSCCCN1CCOCC1 62a_200015260668_100000748698 [0,1,0,1,0,0|2,0,0]=4 22680 B13R1.28 O=CCSCCOC1CCCCC1 62a_100011211530_200015260668 [0,1,0,1,0,0|1,0,0]=3 22681 B13R1.28 O=CCSCCOC1CCCCC1 62a_200015260668_100011211530 [0,1,0,1,0,0|1,0,0]=3 22682 B13R1.28 O=CCSCCOC1CCCCO1 62a_100000744793_200015260668 [0,1,0,1,0,0|2,0,0]=4 22683 B13R1.28 O=CCSCCOC1CCCCO1 62a_200015260668_100000744793 [0,1,0,1,0,0|2,0,0]=4 22684 B13R1.28 OCCCCCNC1C=CCCC1 2230a_100000762737_100000751183 [0,1,0,1,0,0|2,0,0]=4 22685 B13R1.28 OCCCCCNC1CCCCC1 2230a_100000182618_100000746330 [0,1,0,1,0,0|0,0,2]=4 22686 B13R1.28 OCCCCCNC1CCCCC1 270004a_100000762737_100000210434 [0,1,0,1,0,0|0,0,2]=4 22687 B13R1.28 OCCCCCNC1CCCCC1 34a_100000182618_100000746330 [0,1,0,1,0,0|0,0,2]=4 22688 B13R1.28 OCCCCCNC1CCCCC1 34a_100000762737_100000210327 [0,1,0,1,0,0|0,0,2]=4 22689 B13R1.28 OCCCCCOC1C=CCCC1 34a_100011215024_100000746330 [0,1,0,1,0,0|2,0,0]=4 22690 B13R1.28 OCCCCCOC1CCCCC1 34a_100000210231_100000746330 [0,1,0,1,0,0|0,0,2]=4 22691 B13R1.28 OCCCCCOC1CCCCC1 7a_100000210231_100000746330 [0,1,0,1,0,0|0,0,2]=4 22692 B13R1.28 OCCCCCSC1C=CCCC1 62a_100000746330_100000751183 [0,1,0,1,0,0|2,0,0]=4 22693 B13R1.28 OCCCCCSC1C=CCCC1 62a_100000751183_100000746330 [0,1,0,1,0,0|2,0,0]=4 22694 B13R1.28 OCCCCCSC1CCCCC1 62a_100000210327_100000746330 [0,1,0,1,0,0|0,0,2]=4 22695 B13R1.28 OCCCCCSC1CCCCC1 62a_100000746330_100000210327 [0,1,0,1,0,0|0,0,2]=4 22696 B13R1.28 OCCCCNCC1CCCCC1 2230a_100000210473_100000210776 [0,1,0,1,0,0|0,0,2]=4 22697 B13R1.28 OCCCCNCC1CCCCC1 2230a_100000750430_100000211423 [0,1,0,1,0,0|0,0,2]=4 22698 B13R1.28 OCCCCNCC1CCCCC1 269862a_100000750430_100000211278 [0,1,0,1,0,0|0,0,2]=4 22699 B13R1.28 OCCCCNCC1CCCCC1 34a_100000210473_100011216708 [0,1,0,1,0,0|0,0,2]=4 22700 B13R1.28 OCCCCNCC1CCCCC1 34a_100000750430_100000211423 [0,1,0,1,0,0|0,0,2]=4 22701 B13R1.28 OCCCCOCC1CCCCC1 34a_100000212181_100011216708 [0,1,0,1,0,0|0,0,2]=4 22702 B13R1.28 OCCCCOCC1CCCCC1 7a_100000212181_100000210776 [0,1,0,1,0,0|0,0,2]=4 22703 B13R1.28 OCCCCSCC1CCCCC1 62a_100000210776_100000211423 [0,1,0,1,0,0|0,0,2]=4 22704 B13R1.28 OCCCCSCC1CCCCC1 62a_100000211423_100000210776 [0,1,0,1,0,0|0,0,2]=4 22705 B13R1.28 OCCCNCCC1CCCCC1 2230a_100000738074_100000230001 [0,1,0,1,0,0|0,0,2]=4 22706 B13R1.28 OCCCNCCC1CCCCC1 270004a_100000182051_100011713444 [0,1,0,1,0,0|0,0,2]=4 22707 B13R1.28 OCCCNCCC1CCCCC1 34a_100000738074_100000230001 [0,1,0,1,0,0|0,0,2]=4 22708 B13R1.28 OCCCOCCC1CCCCC1 34a_100011217863_100000230001 [0,1,0,1,0,0|0,0,2]=4 22709 B13R1.28 OCCCOCCC1CCCCC1 7a_100011217863_100011215043 [0,1,0,1,0,0|0,0,2]=4 22710 B13R1.28 OCCCSCCC1CCCCC1 62a_100011215043_100012355289 [0,1,0,1,0,0|0,0,2]=4 22711 B13R1.28 OCCCSCCC1CCCCC1 62a_100012355289_100011215043 [0,1,0,1,0,0|0,0,2]=4 22712 B13R1.28 OCCNCCCC1CCCCC1 2230a_100011211642_100000211926 [0,1,0,1,0,0|0,0,2]=4 22713 B13R1.28 OCCNCCCC1CCCCC1 2230a_100016997473_100011713725 [0,1,0,1,0,0|0,0,2]=4 22714 B13R1.28 OCCNCCCC1CCCCC1 34a_100011211642_100000211926 [0,1,0,1,0,0|0,0,2]=4 22715 B13R1.28 OCCNCCCC1CCCCC1 34a_100016990907_100011713725 [0,1,0,1,0,0|0,0,2]=4 22716 B13R1.28 OCCOCCCC1CCCCC1 34a_100000198086_100000211926 [0,1,0,1,0,0|0,0,2]=4 22717 B13R1.28 OCCOCCCC1CCCCC1 7a_100000198086_100000211926 [0,1,0,1,0,0|0,0,2]=4 22718 B13R1.28 OCCSCCCC1CCCCC1 62a_100000211926_100011713725 [0,1,0,1,0,0|0,0,2]=4 22719 B13R1.28 OCCSCCCC1CCCCC1 62a_100011713725_100000211926 [0,1,0,1,0,0|0,0,2]=4 22720 B13R1.28 [13CH3]OCCCCCN1CCCCC1 34a_100011216611_200025704644 [0,1,0,1,0,0|2,0,0]=4 22721 B13R1.28 [13CH3]OCCCCCN1CCCCC1 7a_100011216611_200025704644 [0,1,0,1,0,0|2,0,0]=4 22722 B13R1.34 C#CCCSC1CCCCCC1=O 62a_100000243696_100000688953 [0,1,0,1,0,0|0,0,2]=4 22723 B13R1.34 C#CCCSC1CCCCCC1=O 62a_100000688953_100000243696 [0,1,0,1,0,0|0,0,2]=4 22724 B13R1.34 C/C=C/CSC1CCCCCC1=O 62a_100000243696_100102629194 [0,1,0,1,0,0|0,0,2]=4 22725 B13R1.34 C/C=C/CSC1CCCCCC1=O 62a_100102629194_100000243696 [0,1,0,1,0,0|0,0,2]=4 22726 B13R1.34 C=CCCSC1CCCCCC1=O 62a_100000243696_100000754431 [0,1,0,1,0,0|0,0,2]=4 22727 B13R1.34 C=CCCSC1CCCCCC1=O 62a_100000754431_100000243696 [0,1,0,1,0,0|0,0,2]=4 22728 B13R1.34 CC#CCSC1CCCCCC1=O 62a_100000243696_100000748600 [0,1,0,1,0,0|0,0,2]=4 22729 B13R1.34 CC#CCSC1CCCCCC1=O 62a_100000748600_100000243696 [0,1,0,1,0,0|0,0,2]=4 22730 B13R1.34 CC=CCSC1CCCCCC1=O 62a_100000070051_100000243696 [0,1,0,1,0,0|0,0,2]=4 22731 B13R1.34 CC=CCSC1CCCCCC1=O 62a_100000243696_100000070051 [0,1,0,1,0,0|0,0,2]=4 22732 B13R1.34 CCCCNC1CCCCCC1=O 7a_106832991798_100000243696 [0,1,0,1,0,0|0,0,0]=2 22733 B13R1.34 CCCCNC1CCCCNC1=O 2230a_100000102301_100000735217 [0,1,0,1,0,0|1,0,0]=3 22734 B13R1.34 CCCCNC1CCCCNC1=O 2230a_100000698827_100000210211 [0,1,0,1,0,0|1,0,0]=3 22735 B13R1.34 CCCCNC1CCCCNC1=O 34a_100000698827_100000210210 [0,1,0,1,0,0|1,0,0]=3 22736 B13R1.34 CCCCNC1CCCCNC1=O 7a_106832991798_100000735217 [0,1,0,1,0,0|1,0,0]=3 22737 B13R1.34 CCCCOC1CCCCCC1=O 7a_100000210227_100000243696 [0,1,0,1,0,0|0,0,0]=2 22738 B13R1.34 CCCCOC1CCCCNC1=O 7a_100000210227_100000735217 [0,1,0,1,0,0|1,0,0]=3 22739 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000210211_100000243696 [0,1,0,1,0,0|0,0,0]=2 22740 B13R1.34 CCCCSC1CCCCCC1=O 62a_100000243696_100000210210 [0,1,0,1,0,0|0,0,0]=2 22741 B13R1.34 CCCCSC1CCCCNC1=O 62a_100000210211_100000735217 [0,1,0,1,0,0|1,0,0]=3 22742 B13R1.34 CCCCSC1CCCCNC1=O 62a_100000735217_100000210210 [0,1,0,1,0,0|1,0,0]=3 22743 B13R1.34 CCOCSC1CCCCCC1=O 62a_100000243696_100000739092 [0,1,0,1,0,0|1,0,0]=3 22744 B13R1.34 CCOCSC1CCCCCC1=O 62a_100000739092_100000243696 [0,1,0,1,0,0|1,0,0]=3 22745 B13R1.34 CCOCSC1CCCCNC1=O 62a_100000735217_100000739092 [0,1,0,1,0,0|2,0,0]=4 22746 B13R1.34 CCOCSC1CCCCNC1=O 62a_100000739092_100000735217 [0,1,0,1,0,0|2,0,0]=4 22747 B13R1.34 CNCCCN1CCCCCC1=O 2230a_100000195386_200000210301 [0,1,0,1,0,0|1,0,0]=3 22748 B13R1.34 CNCCCN1CCCCCC1=O 34a_100000195386_200000210301 [0,1,0,1,0,0|1,0,0]=3 22749 B13R1.34 COCCNC1CCCCNC1=O 2230a_100000209980_100000735217 [0,1,0,1,0,0|2,0,0]=4 22750 B13R1.34 COCCNC1CCCCNC1=O 2230a_100000698827_100011201679 [0,1,0,1,0,0|2,0,0]=4 22751 B13R1.34 COCCNC1CCCCNC1=O 34a_100000698827_100011201679 [0,1,0,1,0,0|2,0,0]=4 22752 B13R1.34 COCCSC1CCCCCC1=O 62a_100000233755_100000243696 [0,1,0,1,0,0|1,0,0]=3 22753 B13R1.34 COCCSC1CCCCCC1=O 62a_100000243696_100000233755 [0,1,0,1,0,0|1,0,0]=3 22754 B13R1.34 COCCSC1CCCCNC1=O 62a_100000233755_100000735217 [0,1,0,1,0,0|2,0,0]=4 22755 B13R1.34 COCCSC1CCCCNC1=O 62a_100000735217_100000233755 [0,1,0,1,0,0|2,0,0]=4 22756 B13R1.34 CSCCNC1CCCCNC1=O 2230a_100000698827_100000751147 [0,1,0,1,0,0|2,0,0]=4 22757 B13R1.34 CSCCNC1CCCCNC1=O 2230a_100020590264_100000735217 [0,1,0,1,0,0|2,0,0]=4 22758 B13R1.34 CSCCNC1CCCCNC1=O 34a_100000698827_100000212216 [0,1,0,1,0,0|2,0,0]=4 22759 B13R1.34 CSCCOC1CCCCCC1=O 7a_100000230434_100000243696 [0,1,0,1,0,0|1,0,0]=3 22760 B13R1.34 CSCCOC1CCCCNC1=O 7a_100000230434_100000735217 [0,1,0,1,0,0|2,0,0]=4 22761 B13R1.34 CSCCSC1CCCCCC1=O 62a_100000212216_100000243696 [0,1,0,1,0,0|1,0,0]=3 22762 B13R1.34 CSCCSC1CCCCCC1=O 62a_100000243696_100000751147 [0,1,0,1,0,0|1,0,0]=3 22763 B13R1.34 CSCCSC1CCCCNC1=O 62a_100000212216_100000735217 [0,1,0,1,0,0|2,0,0]=4 22764 B13R1.34 CSCCSC1CCCCNC1=O 62a_100000735217_100000751147 [0,1,0,1,0,0|2,0,0]=4 22765 B13R1.34 N#CCCSC1CCCCCC1=O 62a_100000243696_100011215226 [0,1,0,1,0,0|1,0,1]=4 22766 B13R1.34 N#CCCSC1CCCCCC1=O 62a_100011215226_100000243696 [0,1,0,1,0,0|1,0,1]=4 22767 B13R1.34 O=C1CCCCCC1SCCCF 62a_100000243696_100011934791 [0,1,0,1,0,0|1,0,0]=3 22768 B13R1.34 O=C1CCCCCC1SCCCF 62a_100011934791_100000243696 [0,1,0,1,0,0|1,0,0]=3 22769 B13R1.34 O=C1CCCCCC1SCCCO 62a_100000243696_100011215043 [0,1,0,1,0,0|1,0,0]=3 22770 B13R1.34 O=C1CCCCCC1SCCCO 62a_100011215043_100000243696 [0,1,0,1,0,0|1,0,0]=3 22771 B13R1.34 O=C1NCCCCC1NCCCF 2230a_100000698827_100011934791 [0,1,0,1,0,0|2,0,0]=4 22772 B13R1.34 O=C1NCCCCC1NCCCF 2230a_100015189416_100000735217 [0,1,0,1,0,0|2,0,0]=4 22773 B13R1.34 O=C1NCCCCC1NCCCF 34a_100000698827_100011934791 [0,1,0,1,0,0|2,0,0]=4 22774 B13R1.34 O=C1NCCCCC1NCCCO 2230a_100000698827_100000230001 [0,1,0,1,0,0|2,0,0]=4 22775 B13R1.34 O=C1NCCCCC1NCCCO 34a_100000698827_100000230001 [0,1,0,1,0,0|2,0,0]=4 22776 B13R1.34 O=C1NCCCCC1SCCCF 62a_100000735217_100011934791 [0,1,0,1,0,0|2,0,0]=4 22777 B13R1.34 O=C1NCCCCC1SCCCF 62a_100011934791_100000735217 [0,1,0,1,0,0|2,0,0]=4 22778 B13R1.34 O=C1NCCCCC1SCCCO 62a_100000735217_100011215043 [0,1,0,1,0,0|2,0,0]=4 22779 B13R1.34 O=C1NCCCCC1SCCCO 62a_100011215043_100000735217 [0,1,0,1,0,0|2,0,0]=4 22780 B13R1.34 [13CH3]NCCCN1CCCCCC1=O 2230a_100000195386_200025704644 [0,1,0,1,0,0|1,0,0]=3 22781 B13R1.34 [13CH3]NCCCN1CCCCCC1=O 34a_100000195386_200025704644 [0,1,0,1,0,0|1,0,0]=3 22782 B13R1.84 C#CC1CCCCN1CCCC=O 2230a_200020621307_200011292268 [0,1,0,1,0,0|0,0,2]=4 22783 B13R1.84 C#CC1CCCCN1CCCC=O 269982a_200020621307_200011292268 [0,1,0,1,0,0|0,0,2]=4 22784 B13R1.84 C#CC1CCCCN1CCCCC 2230a_200020621307_100000210326 [0,1,0,1,0,0|1,0,1]=4 22785 B13R1.84 C#CC1CCCCN1CCCCC 269982a_200020621307_100000210215 [0,1,0,1,0,0|1,0,1]=4 22786 B13R1.84 C#CC1CCCCN1CCCCC 34a_200020621307_100000718602 [0,1,0,1,0,0|1,0,1]=4 22787 B13R1.84 C#CCCCN1CCCCC1CC 2230a_100000210034_100000731252 [0,1,0,1,0,0|1,0,1]=4 22788 B13R1.84 C#CCCCN1CCCCC1CC 269982a_100000210034_100011215417 [0,1,0,1,0,0|1,0,1]=4 22789 B13R1.84 C#CCCCN1CCCCC1CC 34a_100000210034_100000695029 [0,1,0,1,0,0|1,0,1]=4 22790 B13R1.84 C#CCCOC1CCCCC1CC 34a_100000210738_100000688953 [0,1,0,1,0,0|1,0,1]=4 22791 B13R1.84 C#CCCOC1CCCCC1CC 7a_100000210738_100000688953 [0,1,0,1,0,0|1,0,1]=4 22792 B13R1.84 C/C=C/COC1CCCCC1CC 34a_100000210738_100102629194 [0,1,0,1,0,0|1,0,1]=4 22793 B13R1.84 C/C=C/COC1CCCCC1CC 7a_100000210738_100102629194 [0,1,0,1,0,0|1,0,1]=4 22794 B13R1.84 C=CCCCN1CCCCC1CC 2230a_100000210034_100011713584 [0,1,0,1,0,0|1,0,0]=3 22795 B13R1.84 C=CCCCN1CCCCC1CC 269982a_100000210034_100000757094 [0,1,0,1,0,0|1,0,0]=3 22796 B13R1.84 C=CCCCN1CCCCC1CC 34a_100000210034_100000757094 [0,1,0,1,0,0|1,0,0]=3 22797 B13R1.84 C=CCCCN1CCCCC1CO 2230a_100000210821_100011713584 [0,1,0,1,0,0|2,0,0]=4 22798 B13R1.84 C=CCCCN1CCCCC1CO 269982a_100000210821_100000757094 [0,1,0,1,0,0|2,0,0]=4 22799 B13R1.84 C=CCCCN1CCCCC1CO 34a_100000210821_100000757094 [0,1,0,1,0,0|2,0,0]=4 22800 B13R1.84 C=CCCCN1CCOC[C@@H]1CC 2230a_100016988097_100011713584 [0,1,0,1,0,0|2,0,0]=4 22801 B13R1.84 C=CCCCN1CCOC[C@@H]1CC 269982a_100016988097_100000757094 [0,1,0,1,0,0|2,0,0]=4 22802 B13R1.84 C=CCCCN1CCOC[C@@H]1CC 34a_100016988097_100000757094 [0,1,0,1,0,0|2,0,0]=4 22803 B13R1.84 C=CCCNC1CCCCC1CC 269862a_100015191253_100000757040 [0,1,0,1,0,0|1,0,0]=3 22804 B13R1.84 C=CCCNC1CCCCC1CC 270004a_100015191253_100000757040 [0,1,0,1,0,0|1,0,0]=3 22805 B13R1.84 C=CCCNC1CCCCC1CO 270004a_100015191253_100009861125 [0,1,0,1,0,0|2,0,0]=4 22806 B13R1.84 C=CCCNC1CCCCC1OC 270004a_100015191253_100000740605 [0,1,0,1,0,0|2,0,0]=4 22807 B13R1.84 C=CCCNC1CCCCC1OC 34a_100011208099_100000754431 [0,1,0,1,0,0|2,0,0]=4 22808 B13R1.84 C=CCCOC1CCCCC1CC 34a_100000210738_100000754431 [0,1,0,1,0,0|1,0,0]=3 22809 B13R1.84 C=CCCOC1CCCCC1CC 7a_100000210738_100000754431 [0,1,0,1,0,0|1,0,0]=3 22810 B13R1.84 C=CCCOC1CCCCC1CN 34a_100011216029_100000754431 [0,1,0,1,0,0|2,0,0]=4 22811 B13R1.84 C=CCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000754431 [0,1,0,1,0,0|2,0,0]=4 22812 B13R1.84 C=CCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000754431 [0,1,0,1,0,0|2,0,0]=4 22813 B13R1.84 C=CCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000754431 [0,1,0,1,0,0|2,0,0]=4 22814 B13R1.84 C=CCNCC1CCCCN1CC 2230a_100000754393_100000210623 [0,1,0,1,0,0|2,0,0]=4 22815 B13R1.84 C=CCNCC1CCCCN1CC 34a_100000754393_100015514636 [0,1,0,1,0,0|2,0,0]=4 22816 B13R1.84 C=CCOCC1CCCCN1CC 34a_100000225091_100015514636 [0,1,0,1,0,0|2,0,0]=4 22817 B13R1.84 C=CCOCC1CCCCN1CC 7a_100000225091_100015514636 [0,1,0,1,0,0|2,0,0]=4 22818 B13R1.84 C=COCCN1CCCCC1CC 2230a_100000210034_100000039644 [0,1,0,1,0,0|2,0,0]=4 22819 B13R1.84 C=COCCN1CCCCC1CC 269982a_100000210034_100000039644 [0,1,0,1,0,0|2,0,0]=4 22820 B13R1.84 C=COCCN1CCCCC1CC 34a_100000210034_100000039644 [0,1,0,1,0,0|2,0,0]=4 22821 B13R1.84 CC=CCOC1CCCCC1CC 34a_100000210738_100000070051 [0,1,0,1,0,0|1,0,1]=4 22822 B13R1.84 CC=CCOC1CCCCC1CC 7a_100000210738_100000070051 [0,1,0,1,0,0|1,0,1]=4 22823 B13R1.84 CCC1CCCCC1NCCC#N 270004a_100000720768_100000757040 [0,1,0,1,0,0|1,0,1]=4 22824 B13R1.84 CCC1CCCCC1NCCCF 269862a_100015189416_100000757040 [0,1,0,1,0,0|1,0,1]=4 22825 B13R1.84 CCC1CCCCC1NCCCF 270004a_100015189416_100000757040 [0,1,0,1,0,0|1,0,1]=4 22826 B13R1.84 CCC1CCCCC1NCCCO 269862a_100000182051_100000757040 [0,1,0,1,0,0|0,0,2]=4 22827 B13R1.84 CCC1CCCCC1NCCCO 270004a_100000182051_100000757040 [0,1,0,1,0,0|0,0,2]=4 22828 B13R1.84 CCC1CCCCC1NCCOC 269862a_100000209980_100000757040 [0,1,0,1,0,0|2,0,0]=4 22829 B13R1.84 CCC1CCCCC1NCCOC 270004a_100000209980_100000757040 [0,1,0,1,0,0|2,0,0]=4 22830 B13R1.84 CCC1CCCCC1NCCSC 269862a_100020590264_100000757040 [0,1,0,1,0,0|2,0,0]=4 22831 B13R1.84 CCC1CCCCC1NCCSC 270004a_100020590264_100000757040 [0,1,0,1,0,0|2,0,0]=4 22832 B13R1.84 CCC1CCCCC1OCCC#N 7a_100000210738_100000184422 [0,1,0,1,0,0|1,0,1]=4 22833 B13R1.84 CCC1CCCCC1OCCCF 34a_100000210738_100011934791 [0,1,0,1,0,0|1,0,1]=4 22834 B13R1.84 CCC1CCCCC1OCCCF 7a_100000210738_100011934791 [0,1,0,1,0,0|1,0,1]=4 22835 B13R1.84 CCC1CCCCC1OCCCO 34a_100000210738_100000230001 [0,1,0,1,0,0|0,0,2]=4 22836 B13R1.84 CCC1CCCCC1OCCCO 7a_100000210738_100011215043 [0,1,0,1,0,0|0,0,2]=4 22837 B13R1.84 CCC1CCCCC1OCCOC 34a_100000210738_100011201679 [0,1,0,1,0,0|2,0,0]=4 22838 B13R1.84 CCC1CCCCC1OCCOC 7a_100000210738_100000233755 [0,1,0,1,0,0|2,0,0]=4 22839 B13R1.84 CCC1CCCCC1OCCSC 34a_100000210738_100000212216 [0,1,0,1,0,0|2,0,0]=4 22840 B13R1.84 CCC1CCCCC1OCCSC 7a_100000210738_100000212216 [0,1,0,1,0,0|2,0,0]=4 22841 B13R1.84 CCC1CCCCN1CCCC#N 2230a_100000210034_100000687738 [0,1,0,1,0,0|1,0,1]=4 22842 B13R1.84 CCC1CCCCN1CCCC#N 269982a_100000210034_100000687738 [0,1,0,1,0,0|1,0,1]=4 22843 B13R1.84 CCC1CCCCN1CCCC=O 2230a_100000210034_200011292268 [0,1,0,1,0,0|0,0,0]=2 22844 B13R1.84 CCC1CCCCN1CCCC=O 269982a_100000210034_200011292268 [0,1,0,1,0,0|0,0,0]=2 22845 B13R1.84 CCC1CCCCN1CCCCF 2230a_100000210034_100000729493 [0,1,0,1,0,0|1,0,1]=4 22846 B13R1.84 CCC1CCCCN1CCCCF 269982a_100000210034_100000729493 [0,1,0,1,0,0|1,0,1]=4 22847 B13R1.84 CCC1CCCCN1CCCCF 34a_100000210034_100000729493 [0,1,0,1,0,0|1,0,1]=4 22848 B13R1.84 CCC1CCCCN1CCCCO 2230a_100000210034_100000210776 [0,1,0,1,0,0|0,0,2]=4 22849 B13R1.84 CCC1CCCCN1CCCCO 269982a_100000210034_100000210776 [0,1,0,1,0,0|0,0,2]=4 22850 B13R1.84 CCC1CCCCN1CCCCO 34a_100000210034_100011216708 [0,1,0,1,0,0|0,0,2]=4 22851 B13R1.84 CCC1CCCCN1CCCNC 34a_100011191702_200000210301 [0,1,0,1,0,0|2,0,0]=4 22852 B13R1.84 CCC1CCCCN1CCCN[13CH3] 34a_100011191702_200025704644 [0,1,0,1,0,0|2,0,0]=4 22853 B13R1.84 CCC1CCCCN1CCCOC 2230a_100000210034_100000740836 [0,1,0,1,0,0|2,0,0]=4 22854 B13R1.84 CCC1CCCCN1CCCOC 269982a_100000210034_100000740836 [0,1,0,1,0,0|2,0,0]=4 22855 B13R1.84 CCC1CCCCN1CCCOC 34a_100000210034_100000740836 [0,1,0,1,0,0|2,0,0]=4 22856 B13R1.84 CCCCCN1CCCCC1C#N 34a_100016989756_100000718602 [0,1,0,1,0,0|1,0,1]=4 22857 B13R1.84 CCCCCN1CCCCC1CC 2230a_100000210034_100000210326 [0,1,0,1,0,0|1,0,1]=4 22858 B13R1.84 CCCCCN1CCCCC1CC 269982a_100000210034_100000210215 [0,1,0,1,0,0|1,0,1]=4 22859 B13R1.84 CCCCCN1CCCCC1CC 34a_100000210034_100000718602 [0,1,0,1,0,0|1,0,1]=4 22860 B13R1.84 CCCCCN1CCCCC1CO 2230a_100000210821_100000210326 [0,1,0,1,0,0|0,0,2]=4 22861 B13R1.84 CCCCCN1CCCCC1CO 269982a_100000210821_100000210215 [0,1,0,1,0,0|0,0,2]=4 22862 B13R1.84 CCCCCN1CCCCC1CO 34a_100000210821_100000718602 [0,1,0,1,0,0|0,0,2]=4 22863 B13R1.84 CCCCNC1CCCCC1CC 269862a_100000102301_100000757040 [0,1,0,1,0,0|1,0,1]=4 22864 B13R1.84 CCCCNC1CCCCC1CC 270004a_100000102301_100000757040 [0,1,0,1,0,0|1,0,1]=4 22865 B13R1.84 CCCCNC1CCCCC1CO 270004a_100000102301_100009861125 [0,1,0,1,0,0|0,0,2]=4 22866 B13R1.84 CCCCNC1CCCCC1OC 270004a_100000102301_100000740605 [0,1,0,1,0,0|2,0,0]=4 22867 B13R1.84 CCCCNC1CCCCC1OC 34a_100011208099_100000210210 [0,1,0,1,0,0|2,0,0]=4 22868 B13R1.84 CCCCOC1CCCCC1CC 34a_100000210738_100000210210 [0,1,0,1,0,0|1,0,1]=4 22869 B13R1.84 CCCCOC1CCCCC1CC 7a_100000210738_100000210211 [0,1,0,1,0,0|1,0,1]=4 22870 B13R1.84 CCCCOC1CCCCC1CN 34a_100011216029_100000210210 [0,1,0,1,0,0|1,0,1]=4 22871 B13R1.84 CCCCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210210 [0,1,0,1,0,0|2,0,0]=4 22872 B13R1.84 CCCCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210210 [0,1,0,1,0,0|2,0,0]=4 22873 B13R1.84 CCCCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210211 [0,1,0,1,0,0|2,0,0]=4 22874 B13R1.84 CCN1CCCCC1CCCOC 2230a_100011804088_100000210202 [0,1,0,1,0,0|2,0,0]=4 22875 B13R1.84 CCN1CCCCC1CCCOC 269982a_100011804088_100000204670 [0,1,0,1,0,0|2,0,0]=4 22876 B13R1.84 CCN1CCCCC1CCCOC 34a_100011804088_100000210202 [0,1,0,1,0,0|2,0,0]=4 22877 B13R1.84 CCN1CCCCC1CNCC=O 2230a_100000754393_200015260668 [0,1,0,1,0,0|1,0,0]=3 22878 B13R1.84 CCN1CCCCC1CNCC=O 34a_100000754393_200009817547 [0,1,0,1,0,0|1,0,0]=3 22879 B13R1.84 CCN1CCCCC1COCC=O 34a_100000225091_200009817547 [0,1,0,1,0,0|1,0,0]=3 22880 B13R1.84 CCN1CCCCC1COCC=O 7a_100000225091_200015260668 [0,1,0,1,0,0|1,0,0]=3 22881 B13R1.84 CC[C@H]1COCCN1CCCC=O 2230a_100016988097_200011292268 [0,1,0,1,0,0|1,0,0]=3 22882 B13R1.84 CC[C@H]1COCCN1CCCC=O 269982a_100016988097_200011292268 [0,1,0,1,0,0|1,0,0]=3 22883 B13R1.84 O=CCCCN1CCCCC1CO 2230a_100000210821_200011292268 [0,1,0,1,0,0|1,0,0]=3 22884 B13R1.84 O=CCCCN1CCCCC1CO 269982a_100000210821_200011292268 [0,1,0,1,0,0|1,0,0]=3 22885 B13R1.84 O=CCCCN1CCOC[C@H]1CO 2230a_100000717676_200011292268 [0,1,0,1,0,0|2,0,0]=4 22886 B13R1.84 O=CCCCN1CCOC[C@H]1CO 269982a_100000717676_200011292268 [0,1,0,1,0,0|2,0,0]=4 22887 B13R1.137 C#CCCCCN1CCCC1CC 2230a_100000754278_100010269958 [0,1,0,1,0,0|1,0,1]=4 22888 B13R1.137 C#CCCCCN1CCCC1CC 269982a_100000754278_100010269958 [0,1,0,1,0,0|1,0,1]=4 22889 B13R1.137 C#CCCCCN1CCCC1CC 34a_100000754278_100010269958 [0,1,0,1,0,0|1,0,1]=4 22890 B13R1.137 C#CCCCNC1CCCC1CC 270004a_100000718082_100000749056 [0,1,0,1,0,0|1,0,1]=4 22891 B13R1.137 C=CCCCCN1CCCC1CC 2230a_100000754278_100011215482 [0,1,0,1,0,0|1,0,0]=3 22892 B13R1.137 C=CCCCCN1CCCC1CC 269982a_100000754278_100011215482 [0,1,0,1,0,0|1,0,0]=3 22893 B13R1.137 C=CCCCCN1CCCC1CC 34a_100000754278_100011215482 [0,1,0,1,0,0|1,0,0]=3 22894 B13R1.137 C=CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100011215482 [0,1,0,1,0,0|2,0,0]=4 22895 B13R1.137 C=CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100011215482 [0,1,0,1,0,0|2,0,0]=4 22896 B13R1.137 C=CCCCCN1CCC[C@@H]1CO 34a_100000745186_100011215482 [0,1,0,1,0,0|2,0,0]=4 22897 B13R1.137 C=CCCCNC1CCCC1CC 269862a_100000700776_100000749056 [0,1,0,1,0,0|1,0,0]=3 22898 B13R1.137 C=CCCCNC1CCCC1CC 270004a_100000700776_100000749056 [0,1,0,1,0,0|1,0,0]=3 22899 B13R1.137 C=CCCNCC1CCCN1CC 2230a_100000211693_100000754431 [0,1,0,1,0,0|2,0,0]=4 22900 B13R1.137 C=CCCOC[C@H]1CCCN1CC 34a_100011739246_100000754431 [0,1,0,1,0,0|2,0,0]=4 22901 B13R1.137 C=CCCOC[C@H]1CCCN1CC 7a_100011739246_100000754431 [0,1,0,1,0,0|2,0,0]=4 22902 B13R1.137 CCC1C=CCN1CCCCC=O 2230a_100000730860_100000139335 [0,1,0,1,0,0|0,0,2]=4 22903 B13R1.137 CCC1C=CCN1CCCCC=O 269982a_100000730860_100000139335 [0,1,0,1,0,0|0,0,2]=4 22904 B13R1.137 CCC1CCCC1NCCCCO 269862a_100000750430_100000749056 [0,1,0,1,0,0|0,0,2]=4 22905 B13R1.137 CCC1CCCC1NCCCCO 270004a_100000750430_100000749056 [0,1,0,1,0,0|0,0,2]=4 22906 B13R1.137 CCC1CCCC1NCCCOC 269862a_100150723488_100000749056 [0,1,0,1,0,0|2,0,0]=4 22907 B13R1.137 CCC1CCCC1NCCCOC 270004a_100150723488_100000749056 [0,1,0,1,0,0|2,0,0]=4 22908 B13R1.137 CCC1CCCC1NCCCSC 269862a_100000749238_100000749056 [0,1,0,1,0,0|2,0,0]=4 22909 B13R1.137 CCC1CCCC1NCCCSC 270004a_100000749238_100000749056 [0,1,0,1,0,0|2,0,0]=4 22910 B13R1.137 CCC1CCCN1CCCCC#N 2230a_100000754278_100000211819 [0,1,0,1,0,0|1,0,1]=4 22911 B13R1.137 CCC1CCCN1CCCCC#N 269982a_100000754278_100011219923 [0,1,0,1,0,0|1,0,1]=4 22912 B13R1.137 CCC1CCCN1CCCCC=O 2230a_100000754278_100000139335 [0,1,0,1,0,0|0,0,0]=2 22913 B13R1.137 CCC1CCCN1CCCCC=O 269982a_100000754278_100000139335 [0,1,0,1,0,0|0,0,0]=2 22914 B13R1.137 CCC1CCCN1CCCCCF 2230a_100000754278_100000729378 [0,1,0,1,0,0|1,0,1]=4 22915 B13R1.137 CCC1CCCN1CCCCCF 269982a_100000754278_100000729378 [0,1,0,1,0,0|1,0,1]=4 22916 B13R1.137 CCC1CCCN1CCCCCF 34a_100000754278_100000729378 [0,1,0,1,0,0|1,0,1]=4 22917 B13R1.137 CCC1CCCN1CCCCCO 2230a_100000754278_100000746330 [0,1,0,1,0,0|0,0,2]=4 22918 B13R1.137 CCC1CCCN1CCCCCO 269982a_100000754278_100000746330 [0,1,0,1,0,0|0,0,2]=4 22919 B13R1.137 CCC1CCCN1CCCCCO 34a_100000754278_100000746330 [0,1,0,1,0,0|0,0,2]=4 22920 B13R1.137 CCC1CCCN1CCCCOC 2230a_100000754278_100000730899 [0,1,0,1,0,0|2,0,0]=4 22921 B13R1.137 CCC1CCCN1CCCCOC 269982a_100000754278_100000730899 [0,1,0,1,0,0|2,0,0]=4 22922 B13R1.137 CCC1CCCN1CCCCOC 34a_100000754278_100000755781 [0,1,0,1,0,0|2,0,0]=4 22923 B13R1.137 CCCCCCC1CCCC1NC 269862a_106832991636_100000189428 [0,1,0,1,0,0|1,0,1]=4 22924 B13R1.137 CCCCCCC1CCCC1NC 270004a_106832991635_100000189428 [0,1,0,1,0,0|1,0,1]=4 22925 B13R1.137 CCCCCCN1CCCC1C#N 2230a_100000701862_100000210314 [0,1,0,1,0,0|1,0,1]=4 22926 B13R1.137 CCCCCCN1CCCC1CC 2230a_100000754278_100000210314 [0,1,0,1,0,0|1,0,1]=4 22927 B13R1.137 CCCCCCN1CCCC1CC 269982a_100000754278_100000210757 [0,1,0,1,0,0|1,0,1]=4 22928 B13R1.137 CCCCCCN1CCCC1CC 34a_100000754278_100000210314 [0,1,0,1,0,0|1,0,1]=4 22929 B13R1.137 CCCCCCN1CCC[C@@H]1C#N 2230a_106645074975_100000210314 [0,1,0,1,0,0|1,0,1]=4 22930 B13R1.137 CCCCCCN1CCC[C@@H]1C#N 269982a_106645074975_100000210757 [0,1,0,1,0,0|1,0,1]=4 22931 B13R1.137 CCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210314 [0,1,0,1,0,0|0,0,2]=4 22932 B13R1.137 CCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210757 [0,1,0,1,0,0|0,0,2]=4 22933 B13R1.137 CCCCCCN1CCC[C@@H]1CO 34a_100000745186_100000210314 [0,1,0,1,0,0|0,0,2]=4 22934 B13R1.137 CCCCCNC1CCCC1CC 269862a_100000209983_100000749056 [0,1,0,1,0,0|1,0,1]=4 22935 B13R1.137 CCCCCNC1CCCC1CC 270004a_100000209983_100000749056 [0,1,0,1,0,0|1,0,1]=4 22936 B13R1.137 CCCCCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000718602 [0,1,0,1,0,0|1,0,1]=4 22937 B13R1.137 CCCCCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000210326 [0,1,0,1,0,0|1,0,1]=4 22938 B13R1.137 N#CC1CCCN1CCCCC=O 2230a_100000701862_100000139335 [0,1,0,1,0,0|1,0,1]=4 22939 B13R1.137 N#C[C@@H]1CCC[C@H]1OCCCC=O 7a_100011907464_200011292268 [0,1,0,1,0,0|1,0,1]=4 22940 B13R1.137 N#C[C@H]1CCCN1CCCCC=O 2230a_106645074975_100000139335 [0,1,0,1,0,0|1,0,1]=4 22941 B13R1.137 N#C[C@H]1CCCN1CCCCC=O 269982a_106645074975_100000139335 [0,1,0,1,0,0|1,0,1]=4 22942 B13R1.137 O=CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000139335 [0,1,0,1,0,0|1,0,0]=3 22943 B13R1.137 O=CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000139335 [0,1,0,1,0,0|1,0,0]=3 22944 B13R1.192 C=CCCCCN1CCC1COC 2230a_100015195929_100011215482 [0,1,0,1,0,0|2,0,0]=4 22945 B13R1.192 C=CCCCCN1CCC1COC 269982a_100015195929_100011215482 [0,1,0,1,0,0|2,0,0]=4 22946 B13R1.192 C=CCCCCN1CCC1COC 34a_100015195929_100011215482 [0,1,0,1,0,0|2,0,0]=4 22947 B13R1.192 CCCCCCN1CCC1COC 2230a_100015195929_100000210314 [0,1,0,1,0,0|2,0,0]=4 22948 B13R1.192 CCCCCCN1CCC1COC 269982a_100015195929_100000210757 [0,1,0,1,0,0|2,0,0]=4 22949 B13R1.192 CCCCCCN1CCC1COC 34a_100015195929_100000210314 [0,1,0,1,0,0|2,0,0]=4 22950 B13R1.192 COCC1CCN1CCCCC=O 2230a_100015195929_100000139335 [0,1,0,1,0,0|1,0,0]=3 22951 B13R1.192 COCC1CCN1CCCCC=O 269982a_100015195929_100000139335 [0,1,0,1,0,0|1,0,0]=3 22952 B13R1.485 C#CCCN1CCCCC1CCC 2230a_100000701414_100000688953 [0,1,0,1,0,0|1,0,1]=4 22953 B13R1.485 C#CCCN1CCCCC1CCC 269982a_100000701414_100000730999 [0,1,0,1,0,0|1,0,1]=4 22954 B13R1.485 C#CCCN1CCCCC1CCC 34a_100000701414_100000688953 [0,1,0,1,0,0|1,0,1]=4 22955 B13R1.485 C#CCOC1CCCCC1CCC 34a_100011217265_100000184674 [0,1,0,1,0,0|1,0,1]=4 22956 B13R1.485 C#CCOC1CCCCC1CCC 7a_100011217265_100000038162 [0,1,0,1,0,0|1,0,1]=4 22957 B13R1.485 C/C=C/CN1CCCCC1CCC 269982a_100000701414_100102629194 [0,1,0,1,0,0|1,0,1]=4 22958 B13R1.485 C/C=C/CN1CCCCC1CCC 34a_100000701414_100102629194 [0,1,0,1,0,0|1,0,1]=4 22959 B13R1.485 C=CCC1CCCCC1NCCC 269862a_100020643023_100011214939 [0,1,0,1,0,0|1,0,0]=3 22960 B13R1.485 C=CCC1CCCCC1NCCC 270004a_100020643023_100011214939 [0,1,0,1,0,0|1,0,0]=3 22961 B13R1.485 C=CCC1CCCCC1NCCF 269862a_100000724931_100011214939 [0,1,0,1,0,0|2,0,0]=4 22962 B13R1.485 C=CCC1CCCCC1NCCO 269862a_100000210304_100011214939 [0,1,0,1,0,0|2,0,0]=4 22963 B13R1.485 C=CCC1CCCCC1NCCO 270004a_100000210304_100011214939 [0,1,0,1,0,0|2,0,0]=4 22964 B13R1.485 C=CCCN1CCCCC1CCC 2230a_100000701414_100000754431 [0,1,0,1,0,0|1,0,0]=3 22965 B13R1.485 C=CCCN1CCCCC1CCC 269982a_100000701414_100000754431 [0,1,0,1,0,0|1,0,0]=3 22966 B13R1.485 C=CCCN1CCCCC1CCC 34a_100000701414_100000754431 [0,1,0,1,0,0|1,0,0]=3 22967 B13R1.485 C=CCCN1CCCCC1CCO 2230a_100000211664_100000754431 [0,1,0,1,0,0|2,0,0]=4 22968 B13R1.485 C=CCCN1CCCCC1CCO 269982a_100000211664_100000754431 [0,1,0,1,0,0|2,0,0]=4 22969 B13R1.485 C=CCCN1CCCCC1CCO 34a_100000211664_100000754431 [0,1,0,1,0,0|2,0,0]=4 22970 B13R1.485 C=CCCN1CCCCC1COC 2230a_100015184032_100000754431 [0,1,0,1,0,0|2,0,0]=4 22971 B13R1.485 C=CCCN1CCCCC1COC 269982a_100015184032_100000754431 [0,1,0,1,0,0|2,0,0]=4 22972 B13R1.485 C=CCCN1CCCCC1COC 34a_100015184032_100000754431 [0,1,0,1,0,0|2,0,0]=4 22973 B13R1.485 C=CCCN1CCOCC1CCC 2230a_102495339903_100000754431 [0,1,0,1,0,0|2,0,0]=4 22974 B13R1.485 C=CCCN1CCOCC1CCC 269982a_102495339903_100000754431 [0,1,0,1,0,0|2,0,0]=4 22975 B13R1.485 C=CCCN1CCOCC1CCC 34a_102495339903_100000754431 [0,1,0,1,0,0|2,0,0]=4 22976 B13R1.485 C=CCN1CCCCC1CCCO 2230a_100011934581_100000210623 [0,1,0,1,0,0|2,0,0]=4 22977 B13R1.485 C=CCN1CCCCC1CCCO 269982a_100011934581_100000210623 [0,1,0,1,0,0|2,0,0]=4 22978 B13R1.485 C=CCN1CCCCC1CCCO 34a_100011934581_100015514636 [0,1,0,1,0,0|2,0,0]=4 22979 B13R1.485 C=CCN1CCCCC1CCOC 2230a_100015186528_100000210623 [0,1,0,1,0,0|2,0,0]=4 22980 B13R1.485 C=CCN1CCCCC1CCOC 269982a_100015186528_100000210623 [0,1,0,1,0,0|2,0,0]=4 22981 B13R1.485 C=CCN1CCCCC1CCOC 34a_100015186528_100015514636 [0,1,0,1,0,0|2,0,0]=4 22982 B13R1.485 C=CCNC1CCCCC1CCC 270004a_100020586998_100011218038 [0,1,0,1,0,0|1,0,0]=3 22983 B13R1.485 C=CCNC1CCCCC1OCC 270004a_100020586998_200000031474 [0,1,0,1,0,0|2,0,0]=4 22984 B13R1.485 C=CCOC1CCCCC1CCC 34a_100011217265_100015514636 [0,1,0,1,0,0|1,0,0]=3 22985 B13R1.485 C=CCOC1CCCCC1CCC 7a_100011217265_100015514636 [0,1,0,1,0,0|1,0,0]=3 22986 B13R1.485 CC=CCN1CCCCC1CCC 2230a_100000701414_100000070051 [0,1,0,1,0,0|1,0,1]=4 22987 B13R1.485 CC=CCN1CCCCC1CCC 34a_100000701414_100000070051 [0,1,0,1,0,0|1,0,1]=4 22988 B13R1.485 CCCC1CCCCC1NCCF 269862a_100000724931_100011218038 [0,1,0,1,0,0|1,0,1]=4 22989 B13R1.485 CCCC1CCCCC1NCCO 269862a_100000210304_100011218038 [0,1,0,1,0,0|0,0,2]=4 22990 B13R1.485 CCCC1CCCCC1NCCO 270004a_100000210304_100011218038 [0,1,0,1,0,0|0,0,2]=4 22991 B13R1.485 CCCC1CCCCC1OCC#N 7a_100011217265_100011215382 [0,1,0,1,0,0|1,0,1]=4 22992 B13R1.485 CCCC1CCCCC1OCC=O 34a_100011217265_200009817547 [0,1,0,1,0,0|0,0,0]=2 22993 B13R1.485 CCCC1CCCCC1OCC=O 7a_100011217265_200015260668 [0,1,0,1,0,0|0,0,0]=2 22994 B13R1.485 CCCC1CCCCC1OCCF 34a_100011217265_100011217306 [0,1,0,1,0,0|1,0,1]=4 22995 B13R1.485 CCCC1CCCCC1OCCF 7a_100011217265_100011217306 [0,1,0,1,0,0|1,0,1]=4 22996 B13R1.485 CCCC1CCCCC1OCCO 34a_100011217265_100000211926 [0,1,0,1,0,0|0,0,2]=4 22997 B13R1.485 CCCC1CCCCC1OCCO 7a_100011217265_100000211926 [0,1,0,1,0,0|0,0,2]=4 22998 B13R1.485 CCCC1CCCCC1OCSC 34a_100011217265_100011218213 [0,1,0,1,0,0|2,0,0]=4 22999 B13R1.485 CCCC1CCCCN1CCC#N 2230a_100000701414_100011215226 [0,1,0,1,0,0|1,0,1]=4 23000 B13R1.485 CCCC1CCCCN1CCC#N 269982a_100000701414_100011215226 [0,1,0,1,0,0|1,0,1]=4 23001 B13R1.485 CCCC1CCCCN1CCCF 2230a_100000701414_100011934791 [0,1,0,1,0,0|1,0,1]=4 23002 B13R1.485 CCCC1CCCCN1CCCF 269982a_100000701414_100011934791 [0,1,0,1,0,0|1,0,1]=4 23003 B13R1.485 CCCC1CCCCN1CCCF 34a_100000701414_100011934791 [0,1,0,1,0,0|1,0,1]=4 23004 B13R1.485 CCCC1CCCCN1CCCO 2230a_100000701414_100000230001 [0,1,0,1,0,0|0,0,2]=4 23005 B13R1.485 CCCC1CCCCN1CCCO 269982a_100000701414_100011215043 [0,1,0,1,0,0|0,0,2]=4 23006 B13R1.485 CCCC1CCCCN1CCCO 34a_100000701414_100000230001 [0,1,0,1,0,0|0,0,2]=4 23007 B13R1.485 CCCC1CCCCN1CCOC 2230a_100000701414_100011201679 [0,1,0,1,0,0|2,0,0]=4 23008 B13R1.485 CCCC1CCCCN1CCOC 269982a_100000701414_100000233755 [0,1,0,1,0,0|2,0,0]=4 23009 B13R1.485 CCCC1CCCCN1CCOC 34a_100000701414_100011201679 [0,1,0,1,0,0|2,0,0]=4 23010 B13R1.485 CCCC1CCCCN1CCSC 2230a_100000701414_100000751147 [0,1,0,1,0,0|2,0,0]=4 23011 B13R1.485 CCCC1CCCCN1CCSC 269982a_100000701414_100000212216 [0,1,0,1,0,0|2,0,0]=4 23012 B13R1.485 CCCC1CCCCN1CCSC 34a_100000701414_100000212216 [0,1,0,1,0,0|2,0,0]=4 23013 B13R1.485 CCCCN1CCCCC1CC#N 2230a_100000133382_100000210211 [0,1,0,1,0,0|1,0,1]=4 23014 B13R1.485 CCCCN1CCCCC1CC#N 34a_100000133382_100000210210 [0,1,0,1,0,0|1,0,1]=4 23015 B13R1.485 CCCCN1CCCCC1CCC 2230a_100000701414_100000210211 [0,1,0,1,0,0|1,0,1]=4 23016 B13R1.485 CCCCN1CCCCC1CCC 269982a_100000701414_100000210211 [0,1,0,1,0,0|1,0,1]=4 23017 B13R1.485 CCCCN1CCCCC1CCC 34a_100000701414_100000210210 [0,1,0,1,0,0|1,0,1]=4 23018 B13R1.485 CCCCN1CCCCC1CCO 2230a_100000211664_100000210211 [0,1,0,1,0,0|0,0,2]=4 23019 B13R1.485 CCCCN1CCCCC1CCO 269982a_100000211664_100000210211 [0,1,0,1,0,0|0,0,2]=4 23020 B13R1.485 CCCCN1CCCCC1CCO 34a_100000211664_100000210210 [0,1,0,1,0,0|0,0,2]=4 23021 B13R1.485 CCCCN1CCCCC1COC 2230a_100015184032_100000210211 [0,1,0,1,0,0|2,0,0]=4 23022 B13R1.485 CCCCN1CCCCC1COC 269982a_100015184032_100000210211 [0,1,0,1,0,0|2,0,0]=4 23023 B13R1.485 CCCCN1CCCCC1COC 34a_100015184032_100000210210 [0,1,0,1,0,0|2,0,0]=4 23024 B13R1.485 CCCN1CCCCC1CCCO 2230a_100011934581_100000210303 [0,1,0,1,0,0|0,0,2]=4 23025 B13R1.485 CCCN1CCCCC1CCCO 269982a_100011934581_100000210303 [0,1,0,1,0,0|0,0,2]=4 23026 B13R1.485 CCCN1CCCCC1CCCO 34a_100011934581_100000210303 [0,1,0,1,0,0|0,0,2]=4 23027 B13R1.485 CCCN1CCCCC1CCOC 2230a_100015186528_100000210303 [0,1,0,1,0,0|2,0,0]=4 23028 B13R1.485 CCCN1CCCCC1CCOC 269982a_100015186528_100000210303 [0,1,0,1,0,0|2,0,0]=4 23029 B13R1.485 CCCN1CCCCC1CCOC 34a_100015186528_100000210303 [0,1,0,1,0,0|2,0,0]=4 23030 B13R1.485 CCCNC1CCCCC1CC#N 270004a_100020643023_100009866218 [0,1,0,1,0,0|1,0,1]=4 23031 B13R1.485 CCCNC1CCCCC1CCC 269862a_100020643023_100011218038 [0,1,0,1,0,0|1,0,1]=4 23032 B13R1.485 CCCNC1CCCCC1CCC 270004a_100020643023_100011218038 [0,1,0,1,0,0|1,0,1]=4 23033 B13R1.485 CCCOC1CCCCC1CCC 34a_100011217265_100000210303 [0,1,0,1,0,0|1,0,1]=4 23034 B13R1.485 CCCOC1CCCCC1CCC 7a_100011217265_100000210303 [0,1,0,1,0,0|1,0,1]=4 23035 B13R1.485 CCNC1CCCCC1CCC#N 270004a_100015525214_100000034616 [0,1,0,1,0,0|1,0,1]=4 23036 B13R1.485 COCCC1CCCCN1CC=O 2230a_100015186528_200015260668 [0,1,0,1,0,0|1,0,0]=3 23037 B13R1.485 COCCC1CCCCN1CC=O 269982a_100015186528_200015260668 [0,1,0,1,0,0|1,0,0]=3 23038 B13R1.485 COCCC1CCCCN1CC=O 34a_100015186528_200009817547 [0,1,0,1,0,0|1,0,0]=3 23039 B13R1.485 O=CCN1CCCCC1CCCO 2230a_100011934581_200015260668 [0,1,0,1,0,0|1,0,0]=3 23040 B13R1.485 O=CCN1CCCCC1CCCO 269982a_100011934581_200015260668 [0,1,0,1,0,0|1,0,0]=3 23041 B13R1.485 O=CCN1CCCCC1CCCO 34a_100011934581_200009817547 [0,1,0,1,0,0|1,0,0]=3 23042 B13R1.489 C#CCCN1CCCCCCCC1 2230a_100000039187_100000688953 [0,1,0,1,0,0|1,0,1]=4 23043 B13R1.489 C#CCCN1CCCCCCCC1 269982a_100000039187_100000730999 [0,1,0,1,0,0|1,0,1]=4 23044 B13R1.489 C#CCCN1CCCCCCCC1 34a_100000039187_100000688953 [0,1,0,1,0,0|1,0,1]=4 23045 B13R1.489 C/C=C/CN1CCCCCCCC1 269982a_100000039187_100102629194 [0,1,0,1,0,0|1,0,1]=4 23046 B13R1.489 C/C=C/CN1CCCCCCCC1 34a_100000039187_100102629194 [0,1,0,1,0,0|1,0,1]=4 23047 B13R1.489 C=CCCN1CCCCCCCC1 2230a_100000039187_100000754431 [0,1,0,1,0,0|1,0,0]=3 23048 B13R1.489 C=CCCN1CCCCCCCC1 269982a_100000039187_100000754431 [0,1,0,1,0,0|1,0,0]=3 23049 B13R1.489 C=CCCN1CCCCCCCC1 34a_100000039187_100000754431 [0,1,0,1,0,0|1,0,0]=3 23050 B13R1.489 C=CCNC1CCCCCCCC1 270004a_100020586998_100000038600 [0,1,0,1,0,0|1,0,0]=3 23051 B13R1.489 CC=CCN1CCCCCCCC1 2230a_100000039187_100000070051 [0,1,0,1,0,0|1,0,1]=4 23052 B13R1.489 CC=CCN1CCCCCCCC1 34a_100000039187_100000070051 [0,1,0,1,0,0|1,0,1]=4 23053 B13R1.489 CCCCN1CCCCCCCC1 2230a_100000039187_100000210211 [0,1,0,1,0,0|1,0,1]=4 23054 B13R1.489 CCCCN1CCCCCCCC1 269982a_100000039187_100000210211 [0,1,0,1,0,0|1,0,1]=4 23055 B13R1.489 CCCCN1CCCCCCCC1 34a_100000039187_100000210210 [0,1,0,1,0,0|1,0,1]=4 23056 B13R1.489 CCCNC1CCCCCCCC1 270004a_100020643023_100000038600 [0,1,0,1,0,0|1,0,1]=4 23057 B13R1.489 COCCN1CCCCCCCC1 2230a_100000039187_100011201679 [0,1,0,1,0,0|2,0,0]=4 23058 B13R1.489 COCCN1CCCCCCCC1 269982a_100000039187_100000233755 [0,1,0,1,0,0|2,0,0]=4 23059 B13R1.489 COCCN1CCCCCCCC1 34a_100000039187_100011201679 [0,1,0,1,0,0|2,0,0]=4 23060 B13R1.489 CSCCN1CCCCCCCC1 2230a_100000039187_100000751147 [0,1,0,1,0,0|2,0,0]=4 23061 B13R1.489 CSCCN1CCCCCCCC1 269982a_100000039187_100000212216 [0,1,0,1,0,0|2,0,0]=4 23062 B13R1.489 CSCCN1CCCCCCCC1 34a_100000039187_100000212216 [0,1,0,1,0,0|2,0,0]=4 23063 B13R1.489 FCCCN1CCCCCCCC1 2230a_100000039187_100011934791 [0,1,0,1,0,0|1,0,1]=4 23064 B13R1.489 FCCCN1CCCCCCCC1 269982a_100000039187_100011934791 [0,1,0,1,0,0|1,0,1]=4 23065 B13R1.489 FCCCN1CCCCCCCC1 34a_100000039187_100011934791 [0,1,0,1,0,0|1,0,1]=4 23066 B13R1.489 N#CCCN1CCCCCCCC1 2230a_100000039187_100011215226 [0,1,0,1,0,0|1,0,1]=4 23067 B13R1.489 N#CCCN1CCCCCCCC1 269982a_100000039187_100011215226 [0,1,0,1,0,0|1,0,1]=4 23068 B13R1.489 OCCCN1CCCCCCCC1 2230a_100000039187_100000230001 [0,1,0,1,0,0|0,0,2]=4 23069 B13R1.489 OCCCN1CCCCCCCC1 269982a_100000039187_100011215043 [0,1,0,1,0,0|0,0,2]=4 23070 B13R1.489 OCCCN1CCCCCCCC1 34a_100000039187_100000230001 [0,1,0,1,0,0|0,0,2]=4 23071 B13R1.489 OCCNC1CCCCCCCC1 270004a_100000210304_100000038600 [0,1,0,1,0,0|0,0,2]=4 23072 B13R1.555 C#CCCCCN1CCCCC1C 2230a_100000211376_100010269958 [0,1,0,1,0,0|1,0,1]=4 23073 B13R1.555 C#CCCCCN1CCCCC1C 269982a_100000211376_100010269958 [0,1,0,1,0,0|1,0,1]=4 23074 B13R1.555 C#CCCCCN1CCCCC1C 34a_100000211376_100010269958 [0,1,0,1,0,0|1,0,1]=4 23075 B13R1.555 C#CCCCNC1CCCCC1=O 34a_100000718082_100000754470 [0,1,0,1,0,0|0,0,2]=4 23076 B13R1.555 C#CCCCNC1CCCCC1C 2230a_100000211402_100000731252 [0,1,0,1,0,0|1,0,1]=4 23077 B13R1.555 C#CCCCNC1CCCCC1C 270004a_100000718082_100000210921 [0,1,0,1,0,0|1,0,1]=4 23078 B13R1.555 C#CCCCNC1CCCCC1C 34a_100000211402_100000695029 [0,1,0,1,0,0|1,0,1]=4 23079 B13R1.555 C#CCCCOC1CCCCC1=O 34a_100000215630_100000754470 [0,1,0,1,0,0|0,0,2]=4 23080 B13R1.555 C#CCCCOC1CCCCC1=O 34a_100011214950_100000695029 [0,1,0,1,0,0|0,0,2]=4 23081 B13R1.555 C#CCCCOC1CCCCC1=O 7a_100000215630_100000204591 [0,1,0,1,0,0|0,0,2]=4 23082 B13R1.555 C#CCCCOC1CCCCC1C 34a_100000211207_100000695029 [0,1,0,1,0,0|1,0,1]=4 23083 B13R1.555 C#CCCCOC1CCCCC1C 7a_100000211207_100011215417 [0,1,0,1,0,0|1,0,1]=4 23084 B13R1.555 C#CCCCSC1CCCCC1=O 62a_100000204591_100011215417 [0,1,0,1,0,0|0,0,2]=4 23085 B13R1.555 C#CCCCSC1CCCCC1=O 62a_100011215417_100000204591 [0,1,0,1,0,0|0,0,2]=4 23086 B13R1.555 C#CCCOCC1CCCCC1=O 34a_100009861125_100000688953 [0,1,0,1,0,0|0,0,2]=4 23087 B13R1.555 C#CCCOCC1CCCCC1=O 7a_100009861125_100000688953 [0,1,0,1,0,0|0,0,2]=4 23088 B13R1.555 C/C=C/CCOC1CCCCC1=O 34a_100016278192_100000754470 [0,1,0,1,0,0|0,0,2]=4 23089 B13R1.555 C/C=C/COCC1CCCCC1=O 34a_100009861125_100102629194 [0,1,0,1,0,0|0,0,2]=4 23090 B13R1.555 C/C=C/COCC1CCCCC1=O 7a_100009861125_100102629194 [0,1,0,1,0,0|0,0,2]=4 23091 B13R1.555 C=CCCCCN1CCCCC1C 2230a_100000211376_100011215482 [0,1,0,1,0,0|1,0,0]=3 23092 B13R1.555 C=CCCCCN1CCCCC1C 269982a_100000211376_100011215482 [0,1,0,1,0,0|1,0,0]=3 23093 B13R1.555 C=CCCCCN1CCCCC1C 34a_100000211376_100011215482 [0,1,0,1,0,0|1,0,0]=3 23094 B13R1.555 C=CCCCCN1CCOC[C@@H]1C 2230a_100009815349_100011215482 [0,1,0,1,0,0|2,0,0]=4 23095 B13R1.555 C=CCCCCN1CCOC[C@@H]1C 269982a_100009815349_100011215482 [0,1,0,1,0,0|2,0,0]=4 23096 B13R1.555 C=CCCCCN1CCOC[C@@H]1C 34a_100009815349_100011215482 [0,1,0,1,0,0|2,0,0]=4 23097 B13R1.555 C=CCCCNC1CCCCC1=O 34a_100000700776_100000754470 [0,1,0,1,0,0|0,0,2]=4 23098 B13R1.555 C=CCCCNC1CCCCC1C 2230a_100000211402_100011713584 [0,1,0,1,0,0|1,0,0]=3 23099 B13R1.555 C=CCCCNC1CCCCC1C 269862a_100000700776_100000210921 [0,1,0,1,0,0|1,0,0]=3 23100 B13R1.555 C=CCCCNC1CCCCC1C 270004a_100000700776_100000210921 [0,1,0,1,0,0|1,0,0]=3 23101 B13R1.555 C=CCCCNC1CCCCC1C 34a_100000211402_100000757094 [0,1,0,1,0,0|1,0,0]=3 23102 B13R1.555 C=CCCCNC1CCCCC1F 34a_100000700776_100015423560 [0,1,0,1,0,0|2,0,0]=4 23103 B13R1.555 C=CCCCNC1CCCCC1O 34a_100000700776_100000038908 [0,1,0,1,0,0|2,0,0]=4 23104 B13R1.555 C=CCCCNC1CCNCC1C 270004a_100000700776_100000703950 [0,1,0,1,0,0|2,0,0]=4 23105 B13R1.555 C=CCCCNC1CCOCC1C 270004a_100000700776_100000755695 [0,1,0,1,0,0|2,0,0]=4 23106 B13R1.555 C=CCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011713584 [0,1,0,1,0,0|2,0,0]=4 23107 B13R1.555 C=CCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000757094 [0,1,0,1,0,0|2,0,0]=4 23108 B13R1.555 C=CCCCOC1CCCCC1=O 34a_100000758997_100000754470 [0,1,0,1,0,0|0,0,2]=4 23109 B13R1.555 C=CCCCOC1CCCCC1=O 34a_100011214950_100000757094 [0,1,0,1,0,0|0,0,2]=4 23110 B13R1.555 C=CCCCOC1CCCCC1=O 7a_100000758997_100000204591 [0,1,0,1,0,0|0,0,2]=4 23111 B13R1.555 C=CCCCOC1CCCCC1C 34a_100000211207_100000757094 [0,1,0,1,0,0|1,0,0]=3 23112 B13R1.555 C=CCCCOC1CCCCC1C 7a_100000211207_100000757094 [0,1,0,1,0,0|1,0,0]=3 23113 B13R1.555 C=CCCCOC1CCCCC1Cl 34a_100000038908_100000757094 [0,1,0,1,0,0|2,0,0]=4 23114 B13R1.555 C=CCCCOC1CCCCC1Cl 7a_100000038908_100000757094 [0,1,0,1,0,0|2,0,0]=4 23115 B13R1.555 C=CCCCOC1CCCCC1F 34a_100000758997_100015423560 [0,1,0,1,0,0|2,0,0]=4 23116 B13R1.555 C=CCCCOC1CCCCC1O 34a_100000758997_100000038908 [0,1,0,1,0,0|2,0,0]=4 23117 B13R1.555 C=CCCCOC1CCNCC1C 34a_100011998114_100000757094 [0,1,0,1,0,0|2,0,0]=4 23118 B13R1.555 C=CCCCOC1CNCCC1C 34a_100000696640_100000757094 [0,1,0,1,0,0|2,0,0]=4 23119 B13R1.555 C=CCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000757094 [0,1,0,1,0,0|2,0,0]=4 23120 B13R1.555 C=CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000757094 [0,1,0,1,0,0|2,0,0]=4 23121 B13R1.555 C=CCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000757094 [0,1,0,1,0,0|2,0,0]=4 23122 B13R1.555 C=CCCCSC1CCCCC1=O 62a_100000204591_100000757094 [0,1,0,1,0,0|0,0,2]=4 23123 B13R1.555 C=CCCCSC1CCCCC1=O 62a_100011713584_100000204591 [0,1,0,1,0,0|0,0,2]=4 23124 B13R1.555 C=CCCCSC1CCCCC1F 62a_100011713584_100015423560 [0,1,0,1,0,0|2,0,0]=4 23125 B13R1.555 C=CCCCSC1CCCCC1F 62a_100015423560_100000757094 [0,1,0,1,0,0|2,0,0]=4 23126 B13R1.555 C=CCCCSC1CCCCC1O 62a_100000038908_100000757094 [0,1,0,1,0,0|2,0,0]=4 23127 B13R1.555 C=CCCCSC1CCCCC1O 62a_100011713584_100000038908 [0,1,0,1,0,0|2,0,0]=4 23128 B13R1.555 C=CCCNCC1CCCCC1O 34a_100011216029_100000754431 [0,1,0,1,0,0|2,0,0]=4 23129 B13R1.555 C=CCCNCC1CCCCN1C 34a_100011228421_100000754431 [0,1,0,1,0,0|2,0,0]=4 23130 B13R1.555 C=CCCOCC1CCCCC1=O 34a_100009861125_100000754431 [0,1,0,1,0,0|0,0,2]=4 23131 B13R1.555 C=CCCOCC1CCCCC1=O 7a_100009861125_100000754431 [0,1,0,1,0,0|0,0,2]=4 23132 B13R1.555 C=CCCOCC1CCCCN1C 34a_100000225079_100000754431 [0,1,0,1,0,0|2,0,0]=4 23133 B13R1.555 C=CCCOCC1CCCCN1C 34a_100011205117_100015186950 [0,1,0,1,0,0|2,0,0]=4 23134 B13R1.555 C=CCCSCC1CCCCN1C 62a_100000754431_100015185383 [0,1,0,1,0,0|2,0,0]=4 23135 B13R1.555 C=CCCSCC1CCCCN1C 62a_100015185383_100000754431 [0,1,0,1,0,0|2,0,0]=4 23136 B13R1.555 C=CCNCCC1CCCCN1C 2230a_100020586998_100000211948 [0,1,0,1,0,0|2,0,0]=4 23137 B13R1.555 C=CCNCCN1CCCCC1C 2230a_100000739827_100000210623 [0,1,0,1,0,0|2,0,0]=4 23138 B13R1.555 C=CCNCCN1CCCCC1C 34a_100000739827_100015514636 [0,1,0,1,0,0|2,0,0]=4 23139 B13R1.555 C=CCOCCC1CCCCN1C 34a_200000210373_100000211948 [0,1,0,1,0,0|2,0,0]=4 23140 B13R1.555 C=CCOCCN1CCCCC1C 34a_100011305533_100015514636 [0,1,0,1,0,0|2,0,0]=4 23141 B13R1.555 C=CCSCCC1CCCCN1C 62a_100000210623_100000211948 [0,1,0,1,0,0|2,0,0]=4 23142 B13R1.555 C=CCSCCC1CCCCN1C 62a_100000211948_100000210623 [0,1,0,1,0,0|2,0,0]=4 23143 B13R1.555 C=COCCNC1CCCCC1C 2230a_100000211402_100000039644 [0,1,0,1,0,0|2,0,0]=4 23144 B13R1.555 C=COCCNC1CCCCC1C 34a_100000211402_100000039644 [0,1,0,1,0,0|2,0,0]=4 23145 B13R1.555 C=COCCOC1CCCCC1C 34a_100000211207_100000039644 [0,1,0,1,0,0|2,0,0]=4 23146 B13R1.555 C=COCCOC1CCCCC1C 7a_100000211207_100000039644 [0,1,0,1,0,0|2,0,0]=4 23147 B13R1.555 CC#CCCOC1CCCCC1=O 34a_100000750427_100000754470 [0,1,0,1,0,0|0,0,2]=4 23148 B13R1.555 CC#CCOCC1CCCCC1=O 34a_100009861125_100000748600 [0,1,0,1,0,0|0,0,2]=4 23149 B13R1.555 CC#CCOCC1CCCCC1=O 7a_100009861125_100000748600 [0,1,0,1,0,0|0,0,2]=4 23150 B13R1.555 CC/C=C\COC1CCCCC1=O 34a_100011214950_100103147603 [0,1,0,1,0,0|0,0,2]=4 23151 B13R1.555 CC/C=C\COC1CCCCC1=O 34a_100016268518_100000754470 [0,1,0,1,0,0|0,0,2]=4 23152 B13R1.555 CC/C=C\CSC1CCCCC1=O 62a_100000204591_100103147603 [0,1,0,1,0,0|0,0,2]=4 23153 B13R1.555 CC/C=C\CSC1CCCCC1=O 62a_100103147603_100000204591 [0,1,0,1,0,0|0,0,2]=4 23154 B13R1.555 CC1CCCCC1NCCCC#N 2230a_100000211402_100000687738 [0,1,0,1,0,0|1,0,1]=4 23155 B13R1.555 CC1CCCCC1NCCCC=O 2230a_100000211402_200011292268 [0,1,0,1,0,0|0,0,0]=2 23156 B13R1.555 CC1CCCCC1NCCCCF 2230a_100000211402_100000729493 [0,1,0,1,0,0|1,0,1]=4 23157 B13R1.555 CC1CCCCC1NCCCCF 34a_100000211402_100000729493 [0,1,0,1,0,0|1,0,1]=4 23158 B13R1.555 CC1CCCCC1NCCCCO 2230a_100000211402_100000210776 [0,1,0,1,0,0|0,0,2]=4 23159 B13R1.555 CC1CCCCC1NCCCCO 269862a_100000750430_100000210921 [0,1,0,1,0,0|0,0,2]=4 23160 B13R1.555 CC1CCCCC1NCCCCO 270004a_100000750430_100000210921 [0,1,0,1,0,0|0,0,2]=4 23161 B13R1.555 CC1CCCCC1NCCCCO 34a_100000211402_100011216708 [0,1,0,1,0,0|0,0,2]=4 23162 B13R1.555 CC1CCCCC1OCCCC#N 7a_100000211207_100000687738 [0,1,0,1,0,0|1,0,1]=4 23163 B13R1.555 CC1CCCCC1OCCCC=O 7a_100000211207_200011292268 [0,1,0,1,0,0|0,0,0]=2 23164 B13R1.555 CC1CCCCC1OCCCCF 34a_100000211207_100000729493 [0,1,0,1,0,0|1,0,1]=4 23165 B13R1.555 CC1CCCCC1OCCCCF 7a_100000211207_100000729493 [0,1,0,1,0,0|1,0,1]=4 23166 B13R1.555 CC1CCCCC1OCCCCO 34a_100000211207_100011216708 [0,1,0,1,0,0|0,0,2]=4 23167 B13R1.555 CC1CCCCC1OCCCCO 7a_100000211207_100000210776 [0,1,0,1,0,0|0,0,2]=4 23168 B13R1.555 CC1CCCCN1CCCCC#N 2230a_100000211376_100000211819 [0,1,0,1,0,0|1,0,1]=4 23169 B13R1.555 CC1CCCCN1CCCCC#N 269982a_100000211376_100011219923 [0,1,0,1,0,0|1,0,1]=4 23170 B13R1.555 CC1CCCCN1CCCCC=O 2230a_100000211376_100000139335 [0,1,0,1,0,0|0,0,0]=2 23171 B13R1.555 CC1CCCCN1CCCCC=O 269982a_100000211376_100000139335 [0,1,0,1,0,0|0,0,0]=2 23172 B13R1.555 CC1CCCCN1CCCCCF 2230a_100000211376_100000729378 [0,1,0,1,0,0|1,0,1]=4 23173 B13R1.555 CC1CCCCN1CCCCCF 269982a_100000211376_100000729378 [0,1,0,1,0,0|1,0,1]=4 23174 B13R1.555 CC1CCCCN1CCCCCF 34a_100000211376_100000729378 [0,1,0,1,0,0|1,0,1]=4 23175 B13R1.555 CC1CCCCN1CCCCCO 2230a_100000211376_100000746330 [0,1,0,1,0,0|0,0,2]=4 23176 B13R1.555 CC1CCCCN1CCCCCO 269982a_100000211376_100000746330 [0,1,0,1,0,0|0,0,2]=4 23177 B13R1.555 CC1CCCCN1CCCCCO 34a_100000211376_100000746330 [0,1,0,1,0,0|0,0,2]=4 23178 B13R1.555 CC1CCCCN1CCNCC=O 2230a_100000739827_200015260668 [0,1,0,1,0,0|1,0,0]=3 23179 B13R1.555 CC1CCCCN1CCNCC=O 34a_100000739827_200009817547 [0,1,0,1,0,0|1,0,0]=3 23180 B13R1.555 CC1CCCCN1CCOCC=O 34a_100011305533_200009817547 [0,1,0,1,0,0|1,0,0]=3 23181 B13R1.555 CC=CCOCC1CCCCC1=O 34a_100009861125_100000070051 [0,1,0,1,0,0|0,0,2]=4 23182 B13R1.555 CC=CCOCC1CCCCC1=O 7a_100009861125_100000070051 [0,1,0,1,0,0|0,0,2]=4 23183 B13R1.555 CCC#CCOC1CCCCC1=O 34a_100000032950_100000754470 [0,1,0,1,0,0|0,0,2]=4 23184 B13R1.555 CCC#CCOC1CCCCC1=O 34a_100011214950_100009813939 [0,1,0,1,0,0|0,0,2]=4 23185 B13R1.555 CCC#CCSC1CCCCC1=O 62a_100000204591_100009813939 [0,1,0,1,0,0|0,0,2]=4 23186 B13R1.555 CCC#CCSC1CCCCC1=O 62a_100009813939_100000204591 [0,1,0,1,0,0|0,0,2]=4 23187 B13R1.555 CCCCCCN1CCCCC1C 2230a_100000211376_100000210314 [0,1,0,1,0,0|1,0,1]=4 23188 B13R1.555 CCCCCCN1CCCCC1C 269982a_100000211376_100000210757 [0,1,0,1,0,0|1,0,1]=4 23189 B13R1.555 CCCCCCN1CCCCC1C 34a_100000211376_100000210314 [0,1,0,1,0,0|1,0,1]=4 23190 B13R1.555 CCCCCNC1CCCCC1C 2230a_100000211402_100000210326 [0,1,0,1,0,0|1,0,1]=4 23191 B13R1.555 CCCCCNC1CCCCC1C 269862a_100000209983_100000210921 [0,1,0,1,0,0|1,0,1]=4 23192 B13R1.555 CCCCCNC1CCCCC1C 270004a_100000209983_100000210921 [0,1,0,1,0,0|1,0,1]=4 23193 B13R1.555 CCCCCNC1CCCCC1C 34a_100000211402_100000718602 [0,1,0,1,0,0|1,0,1]=4 23194 B13R1.555 CCCCCNC1CCCNC1=O 2230a_100000209983_100000687798 [0,1,0,1,0,0|1,0,0]=3 23195 B13R1.555 CCCCCNC1CCCNC1=O 2230a_100000747585_100000210326 [0,1,0,1,0,0|1,0,0]=3 23196 B13R1.555 CCCCCNC1CCCNC1=O 34a_100000747585_100000718602 [0,1,0,1,0,0|1,0,0]=3 23197 B13R1.555 CCCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210326 [0,1,0,1,0,0|1,0,1]=4 23198 B13R1.555 CCCCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000718602 [0,1,0,1,0,0|1,0,1]=4 23199 B13R1.555 CCCCCOC1CCCCC1=O 34a_100000210253_100000754470 [0,1,0,1,0,0|0,0,0]=2 23200 B13R1.555 CCCCCOC1CCCCC1=O 34a_100011214950_100000718602 [0,1,0,1,0,0|0,0,0]=2 23201 B13R1.555 CCCCCOC1CCCCC1=O 7a_100000210253_100000204591 [0,1,0,1,0,0|0,0,0]=2 23202 B13R1.555 CCCCCOC1CCCCC1C 34a_100000211207_100000718602 [0,1,0,1,0,0|1,0,1]=4 23203 B13R1.555 CCCCCOC1CCCCC1C 7a_100000211207_100000210326 [0,1,0,1,0,0|1,0,1]=4 23204 B13R1.555 CCCCCOC1CCCCC1Cl 34a_100000038908_100000718602 [0,1,0,1,0,0|1,0,1]=4 23205 B13R1.555 CCCCCOC1CCCCC1Cl 7a_100000038908_100000210326 [0,1,0,1,0,0|1,0,1]=4 23206 B13R1.555 CCCCCOC1CCCCC1F 34a_100000210253_100015423560 [0,1,0,1,0,0|1,0,1]=4 23207 B13R1.555 CCCCCOC1CCCCC1O 34a_100000210253_100000038908 [0,1,0,1,0,0|0,0,2]=4 23208 B13R1.555 CCCCCOC1CCCNC1=O 34a_100000073722_100000718602 [0,1,0,1,0,0|1,0,0]=3 23209 B13R1.555 CCCCCOC1CCCNC1=O 34a_100000210253_100000687798 [0,1,0,1,0,0|1,0,0]=3 23210 B13R1.555 CCCCCOC1CCCNC1=O 7a_100000210253_100000687798 [0,1,0,1,0,0|1,0,0]=3 23211 B13R1.555 CCCCCOC1COCCC1=O 34a_100000210253_100012180262 [0,1,0,1,0,0|1,0,0]=3 23212 B13R1.555 CCCCCOC1COCCC1=O 7a_100000210253_100012180262 [0,1,0,1,0,0|1,0,0]=3 23213 B13R1.555 CCCCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000718602 [0,1,0,1,0,0|1,0,1]=4 23214 B13R1.555 CCCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210326 [0,1,0,1,0,0|1,0,1]=4 23215 B13R1.555 CCCCCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000718602 [0,1,0,1,0,0|1,0,1]=4 23216 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000204591_100000210326 [0,1,0,1,0,0|0,0,0]=2 23217 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000210326_100000204591 [0,1,0,1,0,0|0,0,0]=2 23218 B13R1.555 CCCCCSC1CCCCC1F 62a_100000210326_100015423560 [0,1,0,1,0,0|1,0,1]=4 23219 B13R1.555 CCCCCSC1CCCCC1F 62a_100015423560_100000210326 [0,1,0,1,0,0|1,0,1]=4 23220 B13R1.555 CCCCCSC1CCCCC1O 62a_100000038908_100000210326 [0,1,0,1,0,0|0,0,2]=4 23221 B13R1.555 CCCCCSC1CCCCC1O 62a_100000210326_100000038908 [0,1,0,1,0,0|0,0,2]=4 23222 B13R1.555 CCCCCSC1CCCNC1=O 62a_100000210326_100000687798 [0,1,0,1,0,0|1,0,0]=3 23223 B13R1.555 CCCCCSC1CCCNC1=O 62a_100000687798_100000210326 [0,1,0,1,0,0|1,0,0]=3 23224 B13R1.555 CCCCCSC1COCCC1=O 62a_100000210326_100012180262 [0,1,0,1,0,0|1,0,0]=3 23225 B13R1.555 CCCCCSC1COCCC1=O 62a_100012180262_100000210326 [0,1,0,1,0,0|1,0,0]=3 23226 B13R1.555 CCCCNCC1CCCCC1O 34a_100011216029_100000210210 [0,1,0,1,0,0|0,0,2]=4 23227 B13R1.555 CCCCNCC1CCCCN1C 34a_100011228421_100000210210 [0,1,0,1,0,0|2,0,0]=4 23228 B13R1.555 CCCCNCC1CCCCN1C 7a_106832991798_100015185383 [0,1,0,1,0,0|2,0,0]=4 23229 B13R1.555 CCCCOCC1CCCCC1=O 34a_100009861125_100000210210 [0,1,0,1,0,0|0,0,0]=2 23230 B13R1.555 CCCCOCC1CCCCC1=O 7a_100009861125_100000210211 [0,1,0,1,0,0|0,0,0]=2 23231 B13R1.555 CCCCOCC1CCCCN1C 34a_100000210227_100015186950 [0,1,0,1,0,0|2,0,0]=4 23232 B13R1.555 CCCCOCC1CCCCN1C 34a_100000225079_100000210210 [0,1,0,1,0,0|2,0,0]=4 23233 B13R1.555 CCCCOCC1CCCCN1C 7a_100000210227_100015185383 [0,1,0,1,0,0|2,0,0]=4 23234 B13R1.555 CCCCSCC1CCCCN1C 62a_100000210211_100015185383 [0,1,0,1,0,0|2,0,0]=4 23235 B13R1.555 CCCCSCC1CCCCN1C 62a_100015185383_100000210210 [0,1,0,1,0,0|2,0,0]=4 23236 B13R1.555 CCCNCCN1CCCCC1=O 2230a_100160573077_100000210303 [0,1,0,1,0,0|1,0,0]=3 23237 B13R1.555 CCCNCCN1CCCCC1=O 34a_100160573077_100000210303 [0,1,0,1,0,0|1,0,0]=3 23238 B13R1.555 CCCOCCC1CCCCN1C 34a_100000210258_100000211948 [0,1,0,1,0,0|2,0,0]=4 23239 B13R1.555 CCCOCCC1NCCNC1=O 34a_100000044719_100000210303 [0,1,0,1,0,0|2,0,0]=4 23240 B13R1.555 CCCSCCC1CCCCN1C 62a_100000210303_100000211948 [0,1,0,1,0,0|2,0,0]=4 23241 B13R1.555 CCCSCCC1CCCCN1C 62a_100000211948_100000210303 [0,1,0,1,0,0|2,0,0]=4 23242 B13R1.555 CCOCCNC1CCCCC1=O 34a_102516460346_100000754470 [0,1,0,1,0,0|1,0,0]=3 23243 B13R1.555 CCOCCNC1CCCNC1=O 2230a_100000747585_100011215890 [0,1,0,1,0,0|2,0,0]=4 23244 B13R1.555 CCOCCNC1CCCNC1=O 2230a_102516460346_100000687798 [0,1,0,1,0,0|2,0,0]=4 23245 B13R1.555 CCOCCNC1CCCNC1=O 34a_100000747585_100000210147 [0,1,0,1,0,0|2,0,0]=4 23246 B13R1.555 CCOCCNC1CCCNC1=O 34a_102516460346_100000687798 [0,1,0,1,0,0|2,0,0]=4 23247 B13R1.555 CCOCCNC1COCCC1=O 34a_102516460346_100012180262 [0,1,0,1,0,0|2,0,0]=4 23248 B13R1.555 CCOCCOC1CCCCC1=O 34a_100000210136_100000754470 [0,1,0,1,0,0|1,0,0]=3 23249 B13R1.555 CCOCCOC1CCCCC1=O 34a_100011214950_100000210147 [0,1,0,1,0,0|1,0,0]=3 23250 B13R1.555 CCOCCOC1CCCCC1=O 7a_100000210136_100000204591 [0,1,0,1,0,0|1,0,0]=3 23251 B13R1.555 CCOCCOC1CCCNC1=O 34a_100000073722_100000210147 [0,1,0,1,0,0|2,0,0]=4 23252 B13R1.555 CCOCCOC1CCCNC1=O 34a_100000210136_100000687798 [0,1,0,1,0,0|2,0,0]=4 23253 B13R1.555 CCOCCOC1CCCNC1=O 7a_100000210136_100000687798 [0,1,0,1,0,0|2,0,0]=4 23254 B13R1.555 CCOCCOC1COCCC1=O 34a_100000210136_100012180262 [0,1,0,1,0,0|2,0,0]=4 23255 B13R1.555 CCOCCOC1COCCC1=O 7a_100000210136_100012180262 [0,1,0,1,0,0|2,0,0]=4 23256 B13R1.555 CCOCCSC1CCCCC1=O 62a_100000204591_100011215890 [0,1,0,1,0,0|1,0,0]=3 23257 B13R1.555 CCOCCSC1CCCCC1=O 62a_100000210147_100000204591 [0,1,0,1,0,0|1,0,0]=3 23258 B13R1.555 CCOCCSC1CCCNC1=O 62a_100000210147_100000687798 [0,1,0,1,0,0|2,0,0]=4 23259 B13R1.555 CCOCCSC1CCCNC1=O 62a_100000687798_100011215890 [0,1,0,1,0,0|2,0,0]=4 23260 B13R1.555 CCOCCSC1COCCC1=O 62a_100000210147_100012180262 [0,1,0,1,0,0|2,0,0]=4 23261 B13R1.555 CCOCCSC1COCCC1=O 62a_100012180262_100011215890 [0,1,0,1,0,0|2,0,0]=4 23262 B13R1.555 CCSCCNC1CCCNC1=O 2230a_100000106463_100000687798 [0,1,0,1,0,0|2,0,0]=4 23263 B13R1.555 CCSCCNC1CCCNC1=O 2230a_100000747585_100000757381 [0,1,0,1,0,0|2,0,0]=4 23264 B13R1.555 CCSCCNC1CCCNC1=O 34a_100000747585_100000757381 [0,1,0,1,0,0|2,0,0]=4 23265 B13R1.555 CCSCCOC1CCCCC1=O 34a_100000212035_100000754470 [0,1,0,1,0,0|1,0,0]=3 23266 B13R1.555 CCSCCOC1CCCCC1=O 34a_100011214950_100000757381 [0,1,0,1,0,0|1,0,0]=3 23267 B13R1.555 CCSCCOC1CCCCC1=O 7a_100000212035_100000204591 [0,1,0,1,0,0|1,0,0]=3 23268 B13R1.555 CCSCCOC1CCCNC1=O 34a_100000073722_100000757381 [0,1,0,1,0,0|2,0,0]=4 23269 B13R1.555 CCSCCOC1CCCNC1=O 34a_100000212035_100000687798 [0,1,0,1,0,0|2,0,0]=4 23270 B13R1.555 CCSCCOC1CCCNC1=O 7a_100000212035_100000687798 [0,1,0,1,0,0|2,0,0]=4 23271 B13R1.555 CCSCCOC1COCCC1=O 34a_100000212035_100012180262 [0,1,0,1,0,0|2,0,0]=4 23272 B13R1.555 CCSCCOC1COCCC1=O 7a_100000212035_100012180262 [0,1,0,1,0,0|2,0,0]=4 23273 B13R1.555 CCSCCSC1CCCCC1=O 62a_100000204591_100000757381 [0,1,0,1,0,0|1,0,0]=3 23274 B13R1.555 CCSCCSC1CCCCC1=O 62a_100000757381_100000204591 [0,1,0,1,0,0|1,0,0]=3 23275 B13R1.555 CCSCCSC1CCCNC1=O 62a_100000687798_100000757381 [0,1,0,1,0,0|2,0,0]=4 23276 B13R1.555 CCSCCSC1CCCNC1=O 62a_100000757381_100000687798 [0,1,0,1,0,0|2,0,0]=4 23277 B13R1.555 CCSCCSC1COCCC1=O 62a_100000757381_100012180262 [0,1,0,1,0,0|2,0,0]=4 23278 B13R1.555 CCSCCSC1COCCC1=O 62a_100012180262_100000757381 [0,1,0,1,0,0|2,0,0]=4 23279 B13R1.555 CN1CCCCC1CCSCC=O 62a_100000211948_200015260668 [0,1,0,1,0,0|1,0,0]=3 23280 B13R1.555 CN1CCCCC1CCSCC=O 62a_200015260668_100000211948 [0,1,0,1,0,0|1,0,0]=3 23281 B13R1.555 CNCCCOC1CCCCC1=O 34a_100000213112_100000754470 [0,1,0,1,0,0|1,0,0]=3 23282 B13R1.555 CNCCCOC1CCCNC1=O 34a_100000213112_100000687798 [0,1,0,1,0,0|2,0,0]=4 23283 B13R1.555 CNCCCOC1COCCC1=O 34a_100000213112_100012180262 [0,1,0,1,0,0|2,0,0]=4 23284 B13R1.555 COCCCCN1CCCCC1C 2230a_100000211376_100000730899 [0,1,0,1,0,0|2,0,0]=4 23285 B13R1.555 COCCCCN1CCCCC1C 269982a_100000211376_100000730899 [0,1,0,1,0,0|2,0,0]=4 23286 B13R1.555 COCCCCN1CCCCC1C 34a_100000211376_100000755781 [0,1,0,1,0,0|2,0,0]=4 23287 B13R1.555 COCCCNC1CCCCC1=O 34a_100150723488_100000754470 [0,1,0,1,0,0|1,0,0]=3 23288 B13R1.555 COCCCNC1CCCCC1C 2230a_100000211402_100000740836 [0,1,0,1,0,0|2,0,0]=4 23289 B13R1.555 COCCCNC1CCCCC1C 269862a_100150723488_100000210921 [0,1,0,1,0,0|2,0,0]=4 23290 B13R1.555 COCCCNC1CCCCC1C 270004a_100150723488_100000210921 [0,1,0,1,0,0|2,0,0]=4 23291 B13R1.555 COCCCNC1CCCCC1C 34a_100000211402_100000740836 [0,1,0,1,0,0|2,0,0]=4 23292 B13R1.555 COCCCNC1CCCNC1=O 2230a_100000747585_100000740836 [0,1,0,1,0,0|2,0,0]=4 23293 B13R1.555 COCCCNC1CCCNC1=O 34a_100000747585_100000740836 [0,1,0,1,0,0|2,0,0]=4 23294 B13R1.555 COCCCNC1CCCNC1=O 34a_100150723488_100000687798 [0,1,0,1,0,0|2,0,0]=4 23295 B13R1.555 COCCCNC1COCCC1=O 34a_100150723488_100012180262 [0,1,0,1,0,0|2,0,0]=4 23296 B13R1.555 COCCCOC1CCCCC1=O 34a_100000740835_100000754470 [0,1,0,1,0,0|1,0,0]=3 23297 B13R1.555 COCCCOC1CCCCC1=O 34a_100011214950_100000740836 [0,1,0,1,0,0|1,0,0]=3 23298 B13R1.555 COCCCOC1CCCCC1C 34a_100000211207_100000740836 [0,1,0,1,0,0|2,0,0]=4 23299 B13R1.555 COCCCOC1CCCCC1C 7a_100000211207_100000740836 [0,1,0,1,0,0|2,0,0]=4 23300 B13R1.555 COCCCOC1CCCNC1=O 34a_100000073722_100000740836 [0,1,0,1,0,0|2,0,0]=4 23301 B13R1.555 COCCCOC1CCCNC1=O 34a_100000740835_100000687798 [0,1,0,1,0,0|2,0,0]=4 23302 B13R1.555 COCCCOC1COCCC1=O 34a_100000740835_100012180262 [0,1,0,1,0,0|2,0,0]=4 23303 B13R1.555 COCCCSC1CCCCC1=O 62a_100000204591_100000709357 [0,1,0,1,0,0|1,0,0]=3 23304 B13R1.555 COCCCSC1CCCCC1=O 62a_100000709357_100000204591 [0,1,0,1,0,0|1,0,0]=3 23305 B13R1.555 COCCCSC1CCCNC1=O 62a_100000687798_100000709357 [0,1,0,1,0,0|2,0,0]=4 23306 B13R1.555 COCCCSC1CCCNC1=O 62a_100000709357_100000687798 [0,1,0,1,0,0|2,0,0]=4 23307 B13R1.555 COCCCSC1COCCC1=O 62a_100000709357_100012180262 [0,1,0,1,0,0|2,0,0]=4 23308 B13R1.555 COCCCSC1COCCC1=O 62a_100012180262_100000709357 [0,1,0,1,0,0|2,0,0]=4 23309 B13R1.555 COCCOCC1CCCCC1=O 34a_100009861125_100011201679 [0,1,0,1,0,0|1,0,0]=3 23310 B13R1.555 COCCOCC1CCCCC1=O 7a_100009861125_100000233755 [0,1,0,1,0,0|1,0,0]=3 23311 B13R1.555 COCNCCN1CCCCC1=O 2230a_100160573077_100000766300 [0,1,0,1,0,0|2,0,0]=4 23312 B13R1.555 CSCCCNC1CCCCC1C 269862a_100000749238_100000210921 [0,1,0,1,0,0|2,0,0]=4 23313 B13R1.555 CSCCCNC1CCCCC1C 270004a_100000749238_100000210921 [0,1,0,1,0,0|2,0,0]=4 23314 B13R1.555 CSCCCNC1CCCNC1=O 2230a_100000749238_100000687798 [0,1,0,1,0,0|2,0,0]=4 23315 B13R1.555 CSCCCOC1CCCCC1=O 34a_100000690336_100000754470 [0,1,0,1,0,0|1,0,0]=3 23316 B13R1.555 CSCCCOC1CCCCC1=O 7a_100000690336_100000204591 [0,1,0,1,0,0|1,0,0]=3 23317 B13R1.555 CSCCCOC1CCCNC1=O 34a_100000690336_100000687798 [0,1,0,1,0,0|2,0,0]=4 23318 B13R1.555 CSCCCOC1CCCNC1=O 7a_100000690336_100000687798 [0,1,0,1,0,0|2,0,0]=4 23319 B13R1.555 CSCCCOC1COCCC1=O 34a_100000690336_100012180262 [0,1,0,1,0,0|2,0,0]=4 23320 B13R1.555 CSCCCOC1COCCC1=O 7a_100000690336_100012180262 [0,1,0,1,0,0|2,0,0]=4 23321 B13R1.555 CSCCOCC1CCCCC1=O 34a_100009861125_100000212216 [0,1,0,1,0,0|1,0,0]=3 23322 B13R1.555 CSCCOCC1CCCCC1=O 7a_100009861125_100000212216 [0,1,0,1,0,0|1,0,0]=3 23323 B13R1.555 CSCNCCN1CCCCC1=O 2230a_100160573077_100011218213 [0,1,0,1,0,0|2,0,0]=4 23324 B13R1.555 CSCNCCN1CCCCC1=O 34a_100160573077_100011218213 [0,1,0,1,0,0|2,0,0]=4 23325 B13R1.555 C[C@H]1COCCN1CCCCC=O 2230a_100009815349_100000139335 [0,1,0,1,0,0|1,0,0]=3 23326 B13R1.555 C[C@H]1COCCN1CCCCC=O 269982a_100009815349_100000139335 [0,1,0,1,0,0|1,0,0]=3 23327 B13R1.555 N#CCCCSC1CCCCC1=O 62a_100000204591_100000687738 [0,1,0,1,0,0|1,0,1]=4 23328 B13R1.555 N#CCCCSC1CCCCC1=O 62a_100000687738_100000204591 [0,1,0,1,0,0|1,0,1]=4 23329 B13R1.555 N#CCCOCC1CCCCC1=O 7a_100009861125_100000184422 [0,1,0,1,0,0|1,0,1]=4 23330 B13R1.555 NCCCCOC1CCCCC1=O 34a_100000750430_100000754470 [0,1,0,1,0,0|1,0,0]=3 23331 B13R1.555 NCCCCOC1CCCNC1=O 34a_100000750430_100000687798 [0,1,0,1,0,0|2,0,0]=4 23332 B13R1.555 NCCCCOC1COCCC1=O 34a_100000750430_100012180262 [0,1,0,1,0,0|2,0,0]=4 23333 B13R1.555 O=C1CCCCC1COCCCF 34a_100009861125_100011934791 [0,1,0,1,0,0|1,0,0]=3 23334 B13R1.555 O=C1CCCCC1COCCCF 7a_100009861125_100011934791 [0,1,0,1,0,0|1,0,0]=3 23335 B13R1.555 O=C1CCCCC1COCCCO 34a_100009861125_100000230001 [0,1,0,1,0,0|1,0,0]=3 23336 B13R1.555 O=C1CCCCC1COCCCO 7a_100009861125_100011215043 [0,1,0,1,0,0|1,0,0]=3 23337 B13R1.555 O=C1CCCCC1NCCCCO 34a_100000750430_100000754470 [0,1,0,1,0,0|1,0,0]=3 23338 B13R1.555 O=C1CCCCC1OCCCCBr 34a_100011216708_100000754470 [0,1,0,1,0,0|1,0,0]=3 23339 B13R1.555 O=C1CCCCC1OCCCCCl 34a_100000210776_100000754470 [0,1,0,1,0,0|1,0,0]=3 23340 B13R1.555 O=C1CCCCC1OCCCCCl 7a_100000210776_100000204591 [0,1,0,1,0,0|1,0,0]=3 23341 B13R1.555 O=C1CCCCC1OCCCCF 34a_100011214950_100000729493 [0,1,0,1,0,0|1,0,0]=3 23342 B13R1.555 O=C1CCCCC1OCCCCF 34a_100011995726_100000754470 [0,1,0,1,0,0|1,0,0]=3 23343 B13R1.555 O=C1CCCCC1OCCCCF 7a_100011995726_100000204591 [0,1,0,1,0,0|1,0,0]=3 23344 B13R1.555 O=C1CCCCC1OCCCCI 34a_200012148704_100000754470 [0,1,0,1,0,0|1,0,0]=3 23345 B13R1.555 O=C1CCCCC1OCCCCO 34a_100011214950_100011216708 [0,1,0,1,0,0|1,0,0]=3 23346 B13R1.555 O=C1CCCCC1SCCCCF 62a_100000204591_100000729493 [0,1,0,1,0,0|1,0,0]=3 23347 B13R1.555 O=C1CCCCC1SCCCCF 62a_100000729493_100000204591 [0,1,0,1,0,0|1,0,0]=3 23348 B13R1.555 O=C1CCCCC1SCCCCO 62a_100000204591_100000210776 [0,1,0,1,0,0|1,0,0]=3 23349 B13R1.555 O=C1CCCCC1SCCCCO 62a_100000210776_100000204591 [0,1,0,1,0,0|1,0,0]=3 23350 B13R1.555 O=C1CCCCN1CCNCCF 2230a_100160573077_100011217306 [0,1,0,1,0,0|2,0,0]=4 23351 B13R1.555 O=C1CCCCN1CCNCCF 34a_100160573077_100011217306 [0,1,0,1,0,0|2,0,0]=4 23352 B13R1.555 O=C1CCCCN1CCNCCO 2230a_100160573077_100000211926 [0,1,0,1,0,0|2,0,0]=4 23353 B13R1.555 O=C1CCCCN1CCNCCO 34a_100160573077_100000211926 [0,1,0,1,0,0|2,0,0]=4 23354 B13R1.555 O=C1CCOCC1NCCCCO 34a_100000750430_100012180262 [0,1,0,1,0,0|2,0,0]=4 23355 B13R1.555 O=C1CCOCC1OCCCCBr 34a_100011216708_100012180262 [0,1,0,1,0,0|2,0,0]=4 23356 B13R1.555 O=C1CCOCC1OCCCCCl 34a_100000210776_100012180262 [0,1,0,1,0,0|2,0,0]=4 23357 B13R1.555 O=C1CCOCC1OCCCCCl 7a_100000210776_100012180262 [0,1,0,1,0,0|2,0,0]=4 23358 B13R1.555 O=C1CCOCC1OCCCCF 34a_100011995726_100012180262 [0,1,0,1,0,0|2,0,0]=4 23359 B13R1.555 O=C1CCOCC1OCCCCF 7a_100011995726_100012180262 [0,1,0,1,0,0|2,0,0]=4 23360 B13R1.555 O=C1CCOCC1OCCCCI 34a_200012148704_100012180262 [0,1,0,1,0,0|2,0,0]=4 23361 B13R1.555 O=C1CCOCC1SCCCCF 62a_100000729493_100012180262 [0,1,0,1,0,0|2,0,0]=4 23362 B13R1.555 O=C1CCOCC1SCCCCF 62a_100012180262_100000729493 [0,1,0,1,0,0|2,0,0]=4 23363 B13R1.555 O=C1CCOCC1SCCCCO 62a_100000210776_100012180262 [0,1,0,1,0,0|2,0,0]=4 23364 B13R1.555 O=C1CCOCC1SCCCCO 62a_100012180262_100000210776 [0,1,0,1,0,0|2,0,0]=4 23365 B13R1.555 O=C1NCCCC1NCCCCF 2230a_100000747585_100000729493 [0,1,0,1,0,0|2,0,0]=4 23366 B13R1.555 O=C1NCCCC1NCCCCF 34a_100000747585_100000729493 [0,1,0,1,0,0|2,0,0]=4 23367 B13R1.555 O=C1NCCCC1NCCCCO 2230a_100000747585_100000210776 [0,1,0,1,0,0|2,0,0]=4 23368 B13R1.555 O=C1NCCCC1NCCCCO 2230a_100000750430_100000687798 [0,1,0,1,0,0|2,0,0]=4 23369 B13R1.555 O=C1NCCCC1NCCCCO 34a_100000747585_100011216708 [0,1,0,1,0,0|2,0,0]=4 23370 B13R1.555 O=C1NCCCC1NCCCCO 34a_100000750430_100000687798 [0,1,0,1,0,0|2,0,0]=4 23371 B13R1.555 O=C1NCCCC1OCCCCBr 34a_100011216708_100000687798 [0,1,0,1,0,0|2,0,0]=4 23372 B13R1.555 O=C1NCCCC1OCCCCCl 34a_100000210776_100000687798 [0,1,0,1,0,0|2,0,0]=4 23373 B13R1.555 O=C1NCCCC1OCCCCCl 7a_100000210776_100000687798 [0,1,0,1,0,0|2,0,0]=4 23374 B13R1.555 O=C1NCCCC1OCCCCF 34a_100000073722_100000729493 [0,1,0,1,0,0|2,0,0]=4 23375 B13R1.555 O=C1NCCCC1OCCCCF 34a_100011995726_100000687798 [0,1,0,1,0,0|2,0,0]=4 23376 B13R1.555 O=C1NCCCC1OCCCCF 7a_100011995726_100000687798 [0,1,0,1,0,0|2,0,0]=4 23377 B13R1.555 O=C1NCCCC1OCCCCI 34a_200012148704_100000687798 [0,1,0,1,0,0|2,0,0]=4 23378 B13R1.555 O=C1NCCCC1OCCCCO 34a_100000073722_100011216708 [0,1,0,1,0,0|2,0,0]=4 23379 B13R1.555 O=C1NCCCC1SCCCCF 62a_100000687798_100000729493 [0,1,0,1,0,0|2,0,0]=4 23380 B13R1.555 O=C1NCCCC1SCCCCF 62a_100000729493_100000687798 [0,1,0,1,0,0|2,0,0]=4 23381 B13R1.555 O=C1NCCCC1SCCCCO 62a_100000210776_100000687798 [0,1,0,1,0,0|2,0,0]=4 23382 B13R1.555 O=C1NCCCC1SCCCCO 62a_100000687798_100000210776 [0,1,0,1,0,0|2,0,0]=4 23383 B13R1.555 O=CCCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200011292268 [0,1,0,1,0,0|1,0,0]=3 23384 B13R1.555 O=CCCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200011292268 [0,1,0,1,0,0|2,0,0]=4 23385 B13R1.555 O=CCCCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_200011292268 [0,1,0,1,0,0|2,0,0]=4 23386 B13R1.555 O=CCCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_200011292268 [0,1,0,1,0,0|2,0,0]=4 23387 B13R1.555 O=CCCCOC1CCCCC1Cl 7a_100000038908_200011292268 [0,1,0,1,0,0|1,0,0]=3 23388 B13R1.555 O=CCCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200011292268 [0,1,0,1,0,0|1,0,0]=3 23389 B13R1.555 O=CCCCSC1CCCCC1=O 62a_100000204591_200011292268 [0,1,0,1,0,0|1,0,1]=4 23390 B13R1.555 O=CCCCSC1CCCCC1=O 62a_200011292268_100000204591 [0,1,0,1,0,0|1,0,1]=4 23391 B13R1.555 O=CCCCSC1CCCCC1F 62a_100015423560_200011292268 [0,1,0,1,0,0|1,0,0]=3 23392 B13R1.555 O=CCCCSC1CCCCC1F 62a_200011292268_100015423560 [0,1,0,1,0,0|1,0,0]=3 23393 B13R1.555 O=CCCCSC1CCCCC1O 62a_100000038908_200011292268 [0,1,0,1,0,0|1,0,0]=3 23394 B13R1.555 O=CCCCSC1CCCCC1O 62a_200011292268_100000038908 [0,1,0,1,0,0|1,0,0]=3 23395 B13R1.559 C#CCCCCCOCC1CC1C 34a_100000744939_100012094781 [0,1,0,1,0,0|1,0,1]=4 23396 B13R1.559 C#CCCCCCOCC1CC1C 7a_100000744939_100012094781 [0,1,0,1,0,0|1,0,1]=4 23397 B13R1.559 C=CCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215473 [0,1,0,1,0,0|2,0,0]=4 23398 B13R1.559 C=CCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215473 [0,1,0,1,0,0|2,0,0]=4 23399 B13R1.559 C=CCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100011215473 [0,1,0,1,0,0|2,0,0]=4 23400 B13R1.559 C=CCCCCCOCC1CC1C 34a_100000744939_100000700193 [0,1,0,1,0,0|1,0,0]=3 23401 B13R1.559 C=CCCCCCOCC1CC1C 7a_100000744939_100000700193 [0,1,0,1,0,0|1,0,0]=3 23402 B13R1.559 CC1CC1COCCCCCC#N 7a_100000744939_100009813376 [0,1,0,1,0,0|1,0,1]=4 23403 B13R1.559 CC1CC1COCCCCCC=O 7a_100000744939_100000139337 [0,1,0,1,0,0|0,0,0]=2 23404 B13R1.559 CC1CC1COCCCCCCF 34a_100000744939_100015922095 [0,1,0,1,0,0|1,0,1]=4 23405 B13R1.559 CC1CC1COCCCCCCF 7a_100000744939_100015922095 [0,1,0,1,0,0|1,0,1]=4 23406 B13R1.559 CC1CC1COCCCCCCO 34a_100000744939_100000766143 [0,1,0,1,0,0|0,0,2]=4 23407 B13R1.559 CC1CC1COCCCCCCO 7a_100000744939_100000766143 [0,1,0,1,0,0|0,0,2]=4 23408 B13R1.559 CCCCCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210759 [0,1,0,1,0,0|1,0,1]=4 23409 B13R1.559 CCCCCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210759 [0,1,0,1,0,0|1,0,1]=4 23410 B13R1.559 CCCCCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210759 [0,1,0,1,0,0|1,0,1]=4 23411 B13R1.559 CCCCCCCOCC1CC1C 34a_100000744939_100000210614 [0,1,0,1,0,0|1,0,1]=4 23412 B13R1.559 CCCCCCCOCC1CC1C 7a_100000744939_100000210614 [0,1,0,1,0,0|1,0,1]=4 23413 B13R1.560 BrCCCCCCCOC1CCC1 34a_100000760002_100000749161 [0,1,0,1,0,0|1,0,1]=4 23414 B13R1.560 BrCCCCCCOCC1CCC1 34a_100011215345_100000763275 [0,1,0,1,0,0|1,0,1]=4 23415 B13R1.560 BrCCCCCCOCC1CCC1 7a_100011215345_100000763275 [0,1,0,1,0,0|1,0,1]=4 23416 B13R1.560 C#CCCCCCCCN1CCC1 269982a_100000754969_100153394163 [0,1,0,1,0,0|1,0,1]=4 23417 B13R1.560 C#CCCCCCCNC1CCC1 2230a_100000749019_100012276617 [0,1,0,1,0,0|1,0,1]=4 23418 B13R1.560 C#CCCCCCCNC1CCC1 34a_100000749019_100012276617 [0,1,0,1,0,0|1,0,1]=4 23419 B13R1.560 C#CCCCCCCOC1CCC1 34a_100000748187_100012276617 [0,1,0,1,0,0|1,0,1]=4 23420 B13R1.560 C#CCCCCCCOC1CCC1 34a_100011217361_100000749161 [0,1,0,1,0,0|1,0,1]=4 23421 B13R1.560 C#CCCCCCCSC1CCC1 62a_100012276617_100000749161 [0,1,0,1,0,0|1,0,1]=4 23422 B13R1.560 C#CCCCCCNCC1CCC1 2230a_100000738700_100012094781 [0,1,0,1,0,0|1,0,1]=4 23423 B13R1.560 C#CCCCCCNCC1CCC1 34a_100000738700_100012094781 [0,1,0,1,0,0|1,0,1]=4 23424 B13R1.560 C#CCCCCCOCC1CCC1 34a_100000760304_100012094781 [0,1,0,1,0,0|1,0,1]=4 23425 B13R1.560 C#CCCCCCOCC1CCC1 34a_100000766912_100000763275 [0,1,0,1,0,0|1,0,1]=4 23426 B13R1.560 C#CCCCCCOCC1CCC1 7a_100000766912_100000763275 [0,1,0,1,0,0|1,0,1]=4 23427 B13R1.560 C#CCCCCCSCC1CCC1 62a_100000763275_100012094781 [0,1,0,1,0,0|1,0,1]=4 23428 B13R1.560 C#CCCCCCSCC1CCC1 62a_100012094781_100000763275 [0,1,0,1,0,0|1,0,1]=4 23429 B13R1.560 C=CCCCCCCCN1CCC1 269982a_100000754969_100012355270 [0,1,0,1,0,0|1,0,0]=3 23430 B13R1.560 C=CCCCCCCNC1CCC1 2230a_100000749019_100011215473 [0,1,0,1,0,0|1,0,0]=3 23431 B13R1.560 C=CCCCCCCNC1CCC1 34a_100000749019_100011215473 [0,1,0,1,0,0|1,0,0]=3 23432 B13R1.560 C=CCCCCCCNC1COC1 2230a_100016991112_100011215473 [0,1,0,1,0,0|2,0,0]=4 23433 B13R1.560 C=CCCCCCCOC1CCC1 34a_100000748187_100011215473 [0,1,0,1,0,0|1,0,0]=3 23434 B13R1.560 C=CCCCCCCOC1CCC1 34a_200011216477_100000749161 [0,1,0,1,0,0|1,0,0]=3 23435 B13R1.560 C=CCCCCCCOC1COC1 34a_200011216477_100009818527 [0,1,0,1,0,0|2,0,0]=4 23436 B13R1.560 C=CCCCCCCOC1COC1 7a_200011216477_100009818527 [0,1,0,1,0,0|2,0,0]=4 23437 B13R1.560 C=CCCCCCCOC1CSC1 7a_100000072292_100011215473 [0,1,0,1,0,0|2,0,0]=4 23438 B13R1.560 C=CCCCCCCSC1CCC1 62a_100011215473_100000749161 [0,1,0,1,0,0|1,0,0]=3 23439 B13R1.560 C=CCCCCCCSC1COC1 62a_100011215473_100009818527 [0,1,0,1,0,0|2,0,0]=4 23440 B13R1.560 C=CCCCCCNCC1CCC1 2230a_100000738700_100000700193 [0,1,0,1,0,0|1,0,0]=3 23441 B13R1.560 C=CCCCCCNCC1CCC1 34a_100000738700_100000700193 [0,1,0,1,0,0|1,0,0]=3 23442 B13R1.560 C=CCCCCCNCC1COC1 2230a_100015281925_100000700193 [0,1,0,1,0,0|2,0,0]=4 23443 B13R1.560 C=CCCCCCNCC1COC1 34a_100015281925_100000700193 [0,1,0,1,0,0|2,0,0]=4 23444 B13R1.560 C=CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000700193 [0,1,0,1,0,0|2,0,0]=4 23445 B13R1.560 C=CCCCCCNC[C@@H]1CCO1 34a_100020831831_100000700193 [0,1,0,1,0,0|2,0,0]=4 23446 B13R1.560 C=CCCCCCOCC1CCC1 34a_100000760304_100000700193 [0,1,0,1,0,0|1,0,0]=3 23447 B13R1.560 C=CCCCCCOCC1CCC1 34a_100011216702_100000763275 [0,1,0,1,0,0|1,0,0]=3 23448 B13R1.560 C=CCCCCCOCC1CCC1 7a_100011216702_100000763275 [0,1,0,1,0,0|1,0,0]=3 23449 B13R1.560 C=CCCCCCOCC1CCO1 34a_100000039022_100000700193 [0,1,0,1,0,0|2,0,0]=4 23450 B13R1.560 C=CCCCCCOCC1CCO1 34a_100011216702_100000103362 [0,1,0,1,0,0|2,0,0]=4 23451 B13R1.560 C=CCCCCCOCC1CCO1 7a_100011216702_100000103362 [0,1,0,1,0,0|2,0,0]=4 23452 B13R1.560 C=CCCCCCOCC1CNC1 34a_100016987283_100000700193 [0,1,0,1,0,0|2,0,0]=4 23453 B13R1.560 C=CCCCCCOCC1COC1 34a_100000060846_100000700193 [0,1,0,1,0,0|2,0,0]=4 23454 B13R1.560 C=CCCCCCOCC1COC1 34a_100011216702_100010264016 [0,1,0,1,0,0|2,0,0]=4 23455 B13R1.560 C=CCCCCCOCC1COC1 7a_100011216702_100010264016 [0,1,0,1,0,0|2,0,0]=4 23456 B13R1.560 C=CCCCCCSCC1CCC1 62a_100000700193_100000763275 [0,1,0,1,0,0|1,0,0]=3 23457 B13R1.560 C=CCCCCCSCC1CCC1 62a_100000763275_100000700193 [0,1,0,1,0,0|1,0,0]=3 23458 B13R1.560 C=CCCCCCSCC1CCO1 62a_100000103362_100000700193 [0,1,0,1,0,0|2,0,0]=4 23459 B13R1.560 C=CCCCCCSCC1CCO1 62a_100000700193_100000103362 [0,1,0,1,0,0|2,0,0]=4 23460 B13R1.560 C=CCCCCCSCC1COC1 62a_100000700193_100010264016 [0,1,0,1,0,0|2,0,0]=4 23461 B13R1.560 C=CCCCCCSCC1COC1 62a_100010264016_100000700193 [0,1,0,1,0,0|2,0,0]=4 23462 B13R1.560 C=CCCCCOCCC1COC1 34a_100009855314_100011215482 [0,1,0,1,0,0|2,0,0]=4 23463 B13R1.560 C=COCCCCOCC1CCC1 34a_100000031558_100000763275 [0,1,0,1,0,0|2,0,0]=4 23464 B13R1.560 C=COCCCCOCC1CCC1 7a_100000031558_100000763275 [0,1,0,1,0,0|2,0,0]=4 23465 B13R1.560 CCCCCCCCCN1CCC1 269982a_100000754969_100000210670 [0,1,0,1,0,0|1,0,1]=4 23466 B13R1.560 CCCCCCCCNC1CCC1 2230a_100000749019_100000210759 [0,1,0,1,0,0|1,0,1]=4 23467 B13R1.560 CCCCCCCCNC1CCC1 270004a_100000229939_100000241760 [0,1,0,1,0,0|1,0,1]=4 23468 B13R1.560 CCCCCCCCNC1CCC1 34a_100000229939_100000749161 [0,1,0,1,0,0|1,0,1]=4 23469 B13R1.560 CCCCCCCCNC1CCC1 34a_100000749019_100000210759 [0,1,0,1,0,0|1,0,1]=4 23470 B13R1.560 CCCCCCCCNC1COC1 2230a_100016991112_100000210759 [0,1,0,1,0,0|2,0,0]=4 23471 B13R1.560 CCCCCCCCNC1COC1 34a_100000229939_100009818527 [0,1,0,1,0,0|2,0,0]=4 23472 B13R1.560 CCCCCCCCOC1CCC1 34a_100000210232_100000749161 [0,1,0,1,0,0|1,0,1]=4 23473 B13R1.560 CCCCCCCCOC1CCC1 34a_100000748187_100000210759 [0,1,0,1,0,0|1,0,1]=4 23474 B13R1.560 CCCCCCCCOC1COC1 34a_100000210232_100009818527 [0,1,0,1,0,0|2,0,0]=4 23475 B13R1.560 CCCCCCCCOC1COC1 7a_100000210232_100009818527 [0,1,0,1,0,0|2,0,0]=4 23476 B13R1.560 CCCCCCCCOC1CSC1 7a_100000072292_100000210759 [0,1,0,1,0,0|2,0,0]=4 23477 B13R1.560 CCCCCCCCSC1CCC1 62a_100000210759_100000749161 [0,1,0,1,0,0|1,0,1]=4 23478 B13R1.560 CCCCCCCCSC1COC1 62a_100000210759_100009818527 [0,1,0,1,0,0|2,0,0]=4 23479 B13R1.560 CCCCCCCNCC1CCC1 2230a_100000229938_100000763275 [0,1,0,1,0,0|1,0,1]=4 23480 B13R1.560 CCCCCCCNCC1CCC1 2230a_100000738700_100000210681 [0,1,0,1,0,0|1,0,1]=4 23481 B13R1.560 CCCCCCCNCC1CCC1 269862a_100000229938_100000753134 [0,1,0,1,0,0|1,0,1]=4 23482 B13R1.560 CCCCCCCNCC1CCC1 34a_100000738700_100000210614 [0,1,0,1,0,0|1,0,1]=4 23483 B13R1.560 CCCCCCCNCC1CCO1 2230a_100000229938_100000103362 [0,1,0,1,0,0|0,0,2]=4 23484 B13R1.560 CCCCCCCNCC1COC1 2230a_100000229938_100010264016 [0,1,0,1,0,0|2,0,0]=4 23485 B13R1.560 CCCCCCCNCC1COC1 2230a_100015281925_100000210681 [0,1,0,1,0,0|2,0,0]=4 23486 B13R1.560 CCCCCCCNCC1COC1 34a_100015281925_100000210614 [0,1,0,1,0,0|2,0,0]=4 23487 B13R1.560 CCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210681 [0,1,0,1,0,0|0,0,2]=4 23488 B13R1.560 CCCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210614 [0,1,0,1,0,0|0,0,2]=4 23489 B13R1.560 CCCCCCCOCC1CCC1 34a_100000210272_100000763275 [0,1,0,1,0,0|1,0,1]=4 23490 B13R1.560 CCCCCCCOCC1CCC1 34a_100000760304_100000210614 [0,1,0,1,0,0|1,0,1]=4 23491 B13R1.560 CCCCCCCOCC1CCC1 7a_100000210272_100000763275 [0,1,0,1,0,0|1,0,1]=4 23492 B13R1.560 CCCCCCCOCC1CCO1 34a_100000039022_100000210614 [0,1,0,1,0,0|0,0,2]=4 23493 B13R1.560 CCCCCCCOCC1CCO1 34a_100000210272_100000103362 [0,1,0,1,0,0|0,0,2]=4 23494 B13R1.560 CCCCCCCOCC1CCO1 7a_100000210272_100000103362 [0,1,0,1,0,0|0,0,2]=4 23495 B13R1.560 CCCCCCCOCC1CNC1 34a_100016987283_100000210614 [0,1,0,1,0,0|2,0,0]=4 23496 B13R1.560 CCCCCCCOCC1COC1 34a_100000060846_100000210614 [0,1,0,1,0,0|2,0,0]=4 23497 B13R1.560 CCCCCCCOCC1COC1 34a_100000210272_100010264016 [0,1,0,1,0,0|2,0,0]=4 23498 B13R1.560 CCCCCCCOCC1COC1 7a_100000210272_100010264016 [0,1,0,1,0,0|2,0,0]=4 23499 B13R1.560 CCCCCCCSCC1CCC1 62a_100000210614_100000763275 [0,1,0,1,0,0|1,0,1]=4 23500 B13R1.560 CCCCCCCSCC1CCC1 62a_100000763275_100000210316 [0,1,0,1,0,0|1,0,1]=4 23501 B13R1.560 CCCCCCCSCC1CCO1 62a_100000103362_100000210316 [0,1,0,1,0,0|0,0,2]=4 23502 B13R1.560 CCCCCCCSCC1CCO1 62a_100000210614_100000103362 [0,1,0,1,0,0|0,0,2]=4 23503 B13R1.560 CCCCCCCSCC1COC1 62a_100000210614_100010264016 [0,1,0,1,0,0|2,0,0]=4 23504 B13R1.560 CCCCCCCSCC1COC1 62a_100010264016_100000210316 [0,1,0,1,0,0|2,0,0]=4 23505 B13R1.560 CCCCCCOCCC1COC1 34a_100009855314_100000210314 [0,1,0,1,0,0|2,0,0]=4 23506 B13R1.560 CNCCCCCOCC1CCC1 34a_100000722520_100000763275 [0,1,0,1,0,0|2,0,0]=4 23507 B13R1.560 COCCCCCCNC1CCC1 2230a_100000749019_100011998445 [0,1,0,1,0,0|2,0,0]=4 23508 B13R1.560 COCCCCCCNC1CCC1 34a_100000749019_100011998445 [0,1,0,1,0,0|2,0,0]=4 23509 B13R1.560 COCCCCCCOC1CCC1 34a_100000748187_100011998445 [0,1,0,1,0,0|2,0,0]=4 23510 B13R1.560 COCCCCCCOC1CCC1 34a_200012092642_100000749161 [0,1,0,1,0,0|2,0,0]=4 23511 B13R1.560 COCCCCCCSC1CCC1 62a_100011998445_100000749161 [0,1,0,1,0,0|2,0,0]=4 23512 B13R1.560 COCCCCCNCC1CCC1 2230a_100000747528_100000763275 [0,1,0,1,0,0|2,0,0]=4 23513 B13R1.560 COCCCCCNCC1CCC1 269862a_100000747528_100000753134 [0,1,0,1,0,0|2,0,0]=4 23514 B13R1.560 COCCCCCNCC1CCC1 34a_100000747528_100000763275 [0,1,0,1,0,0|2,0,0]=4 23515 B13R1.560 ClCCCCCCOCC1CCC1 34a_100000766143_100000763275 [0,1,0,1,0,0|1,0,1]=4 23516 B13R1.560 ClCCCCCCOCC1CCC1 7a_100000766143_100000763275 [0,1,0,1,0,0|1,0,1]=4 23517 B13R1.560 FCCCCCCNCC1CCC1 2230a_100000738700_100015922095 [0,1,0,1,0,0|1,0,1]=4 23518 B13R1.560 FCCCCCCNCC1CCC1 34a_100000738700_100015922095 [0,1,0,1,0,0|1,0,1]=4 23519 B13R1.560 FCCCCCCOCC1CCC1 34a_100000732779_100000763275 [0,1,0,1,0,0|1,0,1]=4 23520 B13R1.560 FCCCCCCOCC1CCC1 34a_100000760304_100015922095 [0,1,0,1,0,0|1,0,1]=4 23521 B13R1.560 FCCCCCCOCC1CCC1 7a_100000732779_100000763275 [0,1,0,1,0,0|1,0,1]=4 23522 B13R1.560 FCCCCCCSCC1CCC1 62a_100000763275_100015922095 [0,1,0,1,0,0|1,0,1]=4 23523 B13R1.560 FCCCCCCSCC1CCC1 62a_100015922095_100000763275 [0,1,0,1,0,0|1,0,1]=4 23524 B13R1.560 N#CCCCCCCNC1CCC1 2230a_100000749019_100009813337 [0,1,0,1,0,0|1,0,1]=4 23525 B13R1.560 N#CCCCCCCSC1CCC1 62a_100009813337_100000749161 [0,1,0,1,0,0|1,0,1]=4 23526 B13R1.560 N#CCCCCCNCC1CCC1 2230a_100000738700_100009813376 [0,1,0,1,0,0|1,0,1]=4 23527 B13R1.560 N#CCCCCCSCC1CCC1 62a_100000763275_100009813376 [0,1,0,1,0,0|1,0,1]=4 23528 B13R1.560 N#CCCCCCSCC1CCC1 62a_100009813376_100000763275 [0,1,0,1,0,0|1,0,1]=4 23529 B13R1.560 NCCCCCCCOC1CCC1 34a_100011996573_100000749161 [0,1,0,1,0,0|1,0,1]=4 23530 B13R1.560 NCCCCCCOCC1CCC1 34a_100000686447_100000763275 [0,1,0,1,0,0|1,0,1]=4 23531 B13R1.560 O=CCCCCCNCC1CCC1 2230a_100000738700_100000139337 [0,1,0,1,0,0|0,0,0]=2 23532 B13R1.560 O=CCCCCCNCC1COC1 2230a_100015281925_100000139337 [0,1,0,1,0,0|1,0,0]=3 23533 B13R1.560 O=CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000139337 [0,1,0,1,0,0|1,0,0]=3 23534 B13R1.560 O=CCCCCCSCC1CCC1 62a_100000139337_100000763275 [0,1,0,1,0,0|0,0,0]=2 23535 B13R1.560 O=CCCCCCSCC1CCC1 62a_100000763275_100000139337 [0,1,0,1,0,0|0,0,0]=2 23536 B13R1.560 O=CCCCCCSCC1CCO1 62a_100000103362_100000139337 [0,1,0,1,0,0|1,0,0]=3 23537 B13R1.560 O=CCCCCCSCC1CCO1 62a_100000139337_100000103362 [0,1,0,1,0,0|1,0,0]=3 23538 B13R1.560 O=CCCCCCSCC1COC1 62a_100000139337_100010264016 [0,1,0,1,0,0|1,0,0]=3 23539 B13R1.560 O=CCCCCCSCC1COC1 62a_100010264016_100000139337 [0,1,0,1,0,0|1,0,0]=3 23540 B13R1.560 OCCCCCCCCN1CCC1 269982a_100000754969_100000033203 [0,1,0,1,0,0|0,0,2]=4 23541 B13R1.560 OCCCCCCCNC1CCC1 2230a_100000749019_100000760002 [0,1,0,1,0,0|0,0,2]=4 23542 B13R1.560 OCCCCCCCNC1CCC1 270004a_100011996573_100000241760 [0,1,0,1,0,0|0,0,2]=4 23543 B13R1.560 OCCCCCCCNC1CCC1 34a_100000749019_100000760002 [0,1,0,1,0,0|0,0,2]=4 23544 B13R1.560 OCCCCCCCNC1CCC1 34a_100011996573_100000749161 [0,1,0,1,0,0|0,0,2]=4 23545 B13R1.560 OCCCCCCCOC1CCC1 34a_100000748187_100000760002 [0,1,0,1,0,0|0,0,2]=4 23546 B13R1.560 OCCCCCCCSC1CCC1 62a_100000760002_100000749161 [0,1,0,1,0,0|0,0,2]=4 23547 B13R1.560 OCCCCCCNCC1CCC1 2230a_100000686447_100000763275 [0,1,0,1,0,0|0,0,2]=4 23548 B13R1.560 OCCCCCCNCC1CCC1 2230a_100000738700_100000766143 [0,1,0,1,0,0|0,0,2]=4 23549 B13R1.560 OCCCCCCNCC1CCC1 269862a_100000686447_100000753134 [0,1,0,1,0,0|0,0,2]=4 23550 B13R1.560 OCCCCCCNCC1CCC1 34a_100000686447_100000763275 [0,1,0,1,0,0|0,0,2]=4 23551 B13R1.560 OCCCCCCNCC1CCC1 34a_100000738700_100000766143 [0,1,0,1,0,0|0,0,2]=4 23552 B13R1.560 OCCCCCCOCC1CCC1 34a_100000760304_100000766143 [0,1,0,1,0,0|0,0,2]=4 23553 B13R1.560 OCCCCCCSCC1CCC1 62a_100000763275_100000766143 [0,1,0,1,0,0|0,0,2]=4 23554 B13R1.560 OCCCCCCSCC1CCC1 62a_100000766143_100000763275 [0,1,0,1,0,0|0,0,2]=4 23555 B13R1.579 C=CCNC1CCCC1CCCC 270004a_100020586998_100000750825 [0,1,0,1,0,0|1,0,0]=3 23556 B13R1.579 CCCCC1CCCC1NCCC 269862a_100020643023_100000750825 [0,1,0,1,0,0|1,0,1]=4 23557 B13R1.579 CCCCC1CCCC1NCCC 270004a_100020643023_100000750825 [0,1,0,1,0,0|1,0,1]=4 23558 B13R1.579 CCCCC1CCCC1NCCF 269862a_100000724931_100000750825 [0,1,0,1,0,0|1,0,1]=4 23559 B13R1.579 CCCCC1CCCC1NCCO 269862a_100000210304_100000750825 [0,1,0,1,0,0|0,0,2]=4 23560 B13R1.579 CCCCC1CCCC1NCCO 270004a_100000210304_100000750825 [0,1,0,1,0,0|0,0,2]=4 23561 B13R1.579 CCCNC1CCCC1CCC#N 270004a_100020643023_100000073560 [0,1,0,1,0,0|1,0,1]=4 23562 B13R1.659 BrCCCCCCCCOC1CC1 34a_100009813846_100000211595 [0,1,0,1,0,0|1,0,1]=4 23563 B13R1.659 BrCCCCCCCOCC1CC1 34a_100000760002_100000742324 [0,1,0,1,0,0|1,0,1]=4 23564 B13R1.659 BrCCCCCCCOCC1CC1 7a_100000760002_100000742324 [0,1,0,1,0,0|1,0,1]=4 23565 B13R1.659 BrCCCCCCOCCC1CC1 34a_100011215345_100000694398 [0,1,0,1,0,0|1,0,1]=4 23566 B13R1.659 BrCCCCCCOCCC1CC1 7a_100011215345_100000764125 [0,1,0,1,0,0|1,0,1]=4 23567 B13R1.659 C#CCCCCCCCNC1CC1 34a_100000212008_100153394163 [0,1,0,1,0,0|1,0,1]=4 23568 B13R1.659 C#CCCCCCCCOC1CC1 34a_100000054614_100000211595 [0,1,0,1,0,0|1,0,1]=4 23569 B13R1.659 C#CCCCCCCCSC1CC1 62a_100153394163_100000211595 [0,1,0,1,0,0|1,0,1]=4 23570 B13R1.659 C#CCCCCCCNCC1CC1 2230a_100000735609_100012276617 [0,1,0,1,0,0|1,0,1]=4 23571 B13R1.659 C#CCCCCCCNCC1CC1 34a_100000735609_100012276617 [0,1,0,1,0,0|1,0,1]=4 23572 B13R1.659 C#CCCCCCCOCC1CC1 34a_100000211283_100012276617 [0,1,0,1,0,0|1,0,1]=4 23573 B13R1.659 C#CCCCCCCOCC1CC1 34a_100011217361_100000742324 [0,1,0,1,0,0|1,0,1]=4 23574 B13R1.659 C#CCCCCCCOCC1CC1 7a_100011217361_100000742324 [0,1,0,1,0,0|1,0,1]=4 23575 B13R1.659 C#CCCCCCCSCC1CC1 62a_100000756562_100012276617 [0,1,0,1,0,0|1,0,1]=4 23576 B13R1.659 C#CCCCCCCSCC1CC1 62a_100012276617_100000742324 [0,1,0,1,0,0|1,0,1]=4 23577 B13R1.659 C#CCCCCCNCCC1CC1 34a_100000764129_100012094781 [0,1,0,1,0,0|1,0,1]=4 23578 B13R1.659 C#CCCCCCOCCC1CC1 34a_100000754188_100012094781 [0,1,0,1,0,0|1,0,1]=4 23579 B13R1.659 C#CCCCCCOCCC1CC1 34a_100000766912_100000694398 [0,1,0,1,0,0|1,0,1]=4 23580 B13R1.659 C#CCCCCCOCCC1CC1 7a_100000754188_100012094781 [0,1,0,1,0,0|1,0,1]=4 23581 B13R1.659 C#CCCCCCOCCC1CC1 7a_100000766912_100000764125 [0,1,0,1,0,0|1,0,1]=4 23582 B13R1.659 C#CCCCCCSCCC1CC1 62a_100000764125_100012094781 [0,1,0,1,0,0|1,0,1]=4 23583 B13R1.659 C#CCCCCCSCCC1CC1 62a_100012094781_100000764125 [0,1,0,1,0,0|1,0,1]=4 23584 B13R1.659 C=CCCCCCCCNC1CC1 34a_100000212008_100012355270 [0,1,0,1,0,0|1,0,0]=3 23585 B13R1.659 C=CCCCCCCCOC1CC1 34a_100000730831_100000211595 [0,1,0,1,0,0|1,0,0]=3 23586 B13R1.659 C=CCCCCCCCSC1CC1 62a_100012355270_100000211595 [0,1,0,1,0,0|1,0,0]=3 23587 B13R1.659 C=CCCCCCCNCC1CC1 2230a_100000735609_100011215473 [0,1,0,1,0,0|1,0,0]=3 23588 B13R1.659 C=CCCCCCCNCC1CC1 34a_100000735609_100011215473 [0,1,0,1,0,0|1,0,0]=3 23589 B13R1.659 C=CCCCCCCOCC1CC1 34a_100000211283_100011215473 [0,1,0,1,0,0|1,0,0]=3 23590 B13R1.659 C=CCCCCCCOCC1CC1 34a_200011216477_100000742324 [0,1,0,1,0,0|1,0,0]=3 23591 B13R1.659 C=CCCCCCCOCC1CC1 7a_200011216477_100000742324 [0,1,0,1,0,0|1,0,0]=3 23592 B13R1.659 C=CCCCCCCOCC1CO1 34a_200011216477_102125554688 [0,1,0,1,0,0|2,0,0]=4 23593 B13R1.659 C=CCCCCCCOCC1CO1 7a_200011216477_102125554688 [0,1,0,1,0,0|2,0,0]=4 23594 B13R1.659 C=CCCCCCCOCC1CS1 7a_200011216477_100000031435 [0,1,0,1,0,0|2,0,0]=4 23595 B13R1.659 C=CCCCCCCOC[C@@H]1CO1 34a_100000757423_100011215473 [0,1,0,1,0,0|2,0,0]=4 23596 B13R1.659 C=CCCCCCCOC[C@@H]1CO1 7a_200011216477_100000745022 [0,1,0,1,0,0|2,0,0]=4 23597 B13R1.659 C=CCCCCCCSCC1CC1 62a_100000756562_100011215473 [0,1,0,1,0,0|1,0,0]=3 23598 B13R1.659 C=CCCCCCCSCC1CC1 62a_100011215473_100000742324 [0,1,0,1,0,0|1,0,0]=3 23599 B13R1.659 C=CCCCCCCSCC1CO1 62a_100011215473_102125554688 [0,1,0,1,0,0|2,0,0]=4 23600 B13R1.659 C=CCCCCCCSCC1CO1 62a_102125554688_100011215473 [0,1,0,1,0,0|2,0,0]=4 23601 B13R1.659 C=CCCCCCCSCC1CS1 62a_100000031435_100011215473 [0,1,0,1,0,0|2,0,0]=4 23602 B13R1.659 C=CCCCCCCSCC1CS1 62a_100011215473_100000031435 [0,1,0,1,0,0|2,0,0]=4 23603 B13R1.659 C=CCCCCCCSC[C@@H]1CO1 62a_100000745022_100011215473 [0,1,0,1,0,0|2,0,0]=4 23604 B13R1.659 C=CCCCCCCSC[C@@H]1CO1 62a_100011215473_100000745022 [0,1,0,1,0,0|2,0,0]=4 23605 B13R1.659 C=CCCCCCNCCC1CC1 34a_100000764129_100000700193 [0,1,0,1,0,0|1,0,0]=3 23606 B13R1.659 C=CCCCCCOCCC1CC1 34a_100000754188_100000700193 [0,1,0,1,0,0|1,0,0]=3 23607 B13R1.659 C=CCCCCCOCCC1CC1 34a_100011216702_100000694398 [0,1,0,1,0,0|1,0,0]=3 23608 B13R1.659 C=CCCCCCOCCC1CC1 7a_100000754188_100000700193 [0,1,0,1,0,0|1,0,0]=3 23609 B13R1.659 C=CCCCCCOCCC1CC1 7a_100011216702_100000764125 [0,1,0,1,0,0|1,0,0]=3 23610 B13R1.659 C=CCCCCCOCCC1CO1 34a_100011216702_100000732470 [0,1,0,1,0,0|2,0,0]=4 23611 B13R1.659 C=CCCCCCOCCC1CO1 7a_100011216702_100000732470 [0,1,0,1,0,0|2,0,0]=4 23612 B13R1.659 C=CCCCCCOCC[C@@H]1CO1 34a_100009820653_100000700193 [0,1,0,1,0,0|2,0,0]=4 23613 B13R1.659 C=CCCCCCSCCC1CC1 62a_100000700193_100000764125 [0,1,0,1,0,0|1,0,0]=3 23614 B13R1.659 C=CCCCCCSCCC1CC1 62a_100000764125_100000700193 [0,1,0,1,0,0|1,0,0]=3 23615 B13R1.659 C=CCCCCCSCCC1CO1 62a_100000700193_100000732470 [0,1,0,1,0,0|2,0,0]=4 23616 B13R1.659 C=CCCCCCSCCC1CO1 62a_100000732470_100000700193 [0,1,0,1,0,0|2,0,0]=4 23617 B13R1.659 C=CCCCCNCCCC1CO1 2230a_100000703577_100000733510 [0,1,0,1,0,0|2,0,0]=4 23618 B13R1.659 C=CCCCCNCCCC1CO1 34a_100000703577_100000733510 [0,1,0,1,0,0|2,0,0]=4 23619 B13R1.659 C=CCCCCOCCCC1CO1 34a_100000766645_100000733510 [0,1,0,1,0,0|2,0,0]=4 23620 B13R1.659 C=CCCCCOCCCC1CO1 7a_100000766645_100000733510 [0,1,0,1,0,0|2,0,0]=4 23621 B13R1.659 C=CCCCCOCCNC1CC1 34a_100000738766_100011215482 [0,1,0,1,0,0|2,0,0]=4 23622 B13R1.659 C=CCCCCSCCCC1CO1 62a_100000733510_100011215482 [0,1,0,1,0,0|2,0,0]=4 23623 B13R1.659 C=CCCCCSCCCC1CO1 62a_100011215482_100000733510 [0,1,0,1,0,0|2,0,0]=4 23624 B13R1.659 C=COCCCCOCCC1CC1 34a_100000031558_100000694398 [0,1,0,1,0,0|2,0,0]=4 23625 B13R1.659 C=COCCCCOCCC1CC1 7a_100000031558_100000764125 [0,1,0,1,0,0|2,0,0]=4 23626 B13R1.659 CCCCCCCCCNC1CC1 34a_100000212008_100011214924 [0,1,0,1,0,0|1,0,1]=4 23627 B13R1.659 CCCCCCCCCNC1CC1 34a_100000212291_100000211595 [0,1,0,1,0,0|1,0,1]=4 23628 B13R1.659 CCCCCCCCCOC1CC1 34a_100000210712_100000211595 [0,1,0,1,0,0|1,0,1]=4 23629 B13R1.659 CCCCCCCCNCC1CC1 2230a_100000229939_100000742324 [0,1,0,1,0,0|1,0,1]=4 23630 B13R1.659 CCCCCCCCNCC1CC1 2230a_100000735609_100000210759 [0,1,0,1,0,0|1,0,1]=4 23631 B13R1.659 CCCCCCCCNCC1CC1 269862a_100000229939_100000741477 [0,1,0,1,0,0|1,0,1]=4 23632 B13R1.659 CCCCCCCCNCC1CC1 34a_100000229939_100000742324 [0,1,0,1,0,0|1,0,1]=4 23633 B13R1.659 CCCCCCCCNCC1CC1 34a_100000735609_100000210759 [0,1,0,1,0,0|1,0,1]=4 23634 B13R1.659 CCCCCCCCNCC1CO1 2230a_100000229939_100011216344 [0,1,0,1,0,0|0,0,2]=4 23635 B13R1.659 CCCCCCCCNCC1CO1 34a_100000229939_102125554688 [0,1,0,1,0,0|0,0,2]=4 23636 B13R1.659 CCCCCCCCOCC1CC1 34a_100000210232_100000742324 [0,1,0,1,0,0|1,0,1]=4 23637 B13R1.659 CCCCCCCCOCC1CC1 34a_100000211283_100000210759 [0,1,0,1,0,0|1,0,1]=4 23638 B13R1.659 CCCCCCCCOCC1CC1 7a_100000210232_100000742324 [0,1,0,1,0,0|1,0,1]=4 23639 B13R1.659 CCCCCCCCOCC1CO1 34a_100000210232_102125554688 [0,1,0,1,0,0|0,0,2]=4 23640 B13R1.659 CCCCCCCCOCC1CO1 7a_100000210232_102125554688 [0,1,0,1,0,0|0,0,2]=4 23641 B13R1.659 CCCCCCCCOCC1CS1 7a_100000210232_100000031435 [0,1,0,1,0,0|0,1,1]=4 23642 B13R1.659 CCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210759 [0,1,0,1,0,0|0,0,2]=4 23643 B13R1.659 CCCCCCCCOC[C@@H]1CO1 7a_100000210232_100000745022 [0,1,0,1,0,0|0,0,2]=4 23644 B13R1.659 CCCCCCCCSCC1CC1 62a_100000210759_100000742324 [0,1,0,1,0,0|1,0,1]=4 23645 B13R1.659 CCCCCCCCSCC1CC1 62a_100000756562_100000210317 [0,1,0,1,0,0|1,0,1]=4 23646 B13R1.659 CCCCCCCCSCC1CO1 62a_100000210759_102125554688 [0,1,0,1,0,0|0,0,2]=4 23647 B13R1.659 CCCCCCCCSCC1CO1 62a_102125554688_100000210317 [0,1,0,1,0,0|0,0,2]=4 23648 B13R1.659 CCCCCCCCSCC1CS1 62a_100000031435_100000210317 [0,1,0,1,0,0|0,1,1]=4 23649 B13R1.659 CCCCCCCCSCC1CS1 62a_100000210759_100000031435 [0,1,0,1,0,0|0,1,1]=4 23650 B13R1.659 CCCCCCCCSC[C@@H]1CO1 62a_100000210759_100000745022 [0,1,0,1,0,0|0,0,2]=4 23651 B13R1.659 CCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000210317 [0,1,0,1,0,0|0,0,2]=4 23652 B13R1.659 CCCCCCCNCCC1CC1 2230a_100000229938_100000694398 [0,1,0,1,0,0|1,0,1]=4 23653 B13R1.659 CCCCCCCNCCC1CC1 34a_100000764129_100000210614 [0,1,0,1,0,0|1,0,1]=4 23654 B13R1.659 CCCCCCCNCCC1CO1 2230a_100000229938_100000732470 [0,1,0,1,0,0|0,0,2]=4 23655 B13R1.659 CCCCCCCOCCC1CC1 34a_100000210272_100000694398 [0,1,0,1,0,0|1,0,1]=4 23656 B13R1.659 CCCCCCCOCCC1CC1 34a_100000754188_100000210614 [0,1,0,1,0,0|1,0,1]=4 23657 B13R1.659 CCCCCCCOCCC1CC1 7a_100000210272_100000764125 [0,1,0,1,0,0|1,0,1]=4 23658 B13R1.659 CCCCCCCOCCC1CC1 7a_100000754188_100000210614 [0,1,0,1,0,0|1,0,1]=4 23659 B13R1.659 CCCCCCCOCCC1CO1 34a_100000210272_100000732470 [0,1,0,1,0,0|0,0,2]=4 23660 B13R1.659 CCCCCCCOCCC1CO1 7a_100000210272_100000732470 [0,1,0,1,0,0|0,0,2]=4 23661 B13R1.659 CCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210614 [0,1,0,1,0,0|0,0,2]=4 23662 B13R1.659 CCCCCCCSCCC1CC1 62a_100000210614_100000764125 [0,1,0,1,0,0|1,0,1]=4 23663 B13R1.659 CCCCCCCSCCC1CC1 62a_100000764125_100000210316 [0,1,0,1,0,0|1,0,1]=4 23664 B13R1.659 CCCCCCCSCCC1CO1 62a_100000210614_100000732470 [0,1,0,1,0,0|0,0,2]=4 23665 B13R1.659 CCCCCCCSCCC1CO1 62a_100000732470_100000210316 [0,1,0,1,0,0|0,0,2]=4 23666 B13R1.659 CCCCCCNCCCC1CO1 2230a_100000210581_100000733510 [0,1,0,1,0,0|0,0,2]=4 23667 B13R1.659 CCCCCCOCCCC1CO1 34a_100000210259_100000733510 [0,1,0,1,0,0|0,0,2]=4 23668 B13R1.659 CCCCCCOCCCC1CO1 7a_100000210259_100000733510 [0,1,0,1,0,0|0,0,2]=4 23669 B13R1.659 CCCCCCSCCCC1CO1 62a_100000210314_100000733510 [0,1,0,1,0,0|0,0,2]=4 23670 B13R1.659 CCCCCCSCCCC1CO1 62a_100000733510_100000210757 [0,1,0,1,0,0|0,0,2]=4 23671 B13R1.659 CNCCCCCOCCC1CC1 34a_100000722520_100000694398 [0,1,0,1,0,0|2,0,0]=4 23672 B13R1.659 COCCCCCCNCC1CC1 2230a_100000735609_100011998445 [0,1,0,1,0,0|2,0,0]=4 23673 B13R1.659 COCCCCCCNCC1CC1 34a_100000735609_100011998445 [0,1,0,1,0,0|2,0,0]=4 23674 B13R1.659 COCCCCCCOCC1CC1 34a_100000211283_100011998445 [0,1,0,1,0,0|2,0,0]=4 23675 B13R1.659 COCCCCCCOCC1CC1 34a_200012092642_100000742324 [0,1,0,1,0,0|2,0,0]=4 23676 B13R1.659 COCCCCCCOCC1CC1 7a_200012092642_100000742324 [0,1,0,1,0,0|2,0,0]=4 23677 B13R1.659 COCCCCCCSCC1CC1 62a_100000756562_100011998445 [0,1,0,1,0,0|2,0,0]=4 23678 B13R1.659 COCCCCCCSCC1CC1 62a_100011998445_100000742324 [0,1,0,1,0,0|2,0,0]=4 23679 B13R1.659 COCCCCCNCCC1CC1 2230a_100000747528_100000694398 [0,1,0,1,0,0|2,0,0]=4 23680 B13R1.659 COCCCCCNCCC1CC1 34a_100000747528_100000694398 [0,1,0,1,0,0|2,0,0]=4 23681 B13R1.659 ClCCCCCCCCOC1CC1 34a_100000033203_100000211595 [0,1,0,1,0,0|1,0,1]=4 23682 B13R1.659 ClCCCCCCOCCC1CC1 34a_100000766143_100000694398 [0,1,0,1,0,0|1,0,1]=4 23683 B13R1.659 ClCCCCCCOCCC1CC1 7a_100000766143_100000764125 [0,1,0,1,0,0|1,0,1]=4 23684 B13R1.659 FCCCCCCNCCC1CC1 34a_100000764129_100015922095 [0,1,0,1,0,0|1,0,1]=4 23685 B13R1.659 FCCCCCCOCCC1CC1 34a_100000732779_100000694398 [0,1,0,1,0,0|1,0,1]=4 23686 B13R1.659 FCCCCCCOCCC1CC1 34a_100000754188_100015922095 [0,1,0,1,0,0|1,0,1]=4 23687 B13R1.659 FCCCCCCOCCC1CC1 7a_100000732779_100000764125 [0,1,0,1,0,0|1,0,1]=4 23688 B13R1.659 FCCCCCCOCCC1CC1 7a_100000754188_100015922095 [0,1,0,1,0,0|1,0,1]=4 23689 B13R1.659 FCCCCCCSCCC1CC1 62a_100000764125_100015922095 [0,1,0,1,0,0|1,0,1]=4 23690 B13R1.659 FCCCCCCSCCC1CC1 62a_100015922095_100000764125 [0,1,0,1,0,0|1,0,1]=4 23691 B13R1.659 N#CCCCCCCNCC1CC1 2230a_100000735609_100009813337 [0,1,0,1,0,0|1,0,1]=4 23692 B13R1.659 N#CCCCCCCSCC1CC1 62a_100000756562_100009813337 [0,1,0,1,0,0|1,0,1]=4 23693 B13R1.659 N#CCCCCCCSCC1CC1 62a_100009813337_100000742324 [0,1,0,1,0,0|1,0,1]=4 23694 B13R1.659 N#CCCCCCOCCC1CC1 7a_100000754188_100009813376 [0,1,0,1,0,0|1,0,1]=4 23695 B13R1.659 N#CCCCCCSCCC1CC1 62a_100000764125_100009813376 [0,1,0,1,0,0|1,0,1]=4 23696 B13R1.659 N#CCCCCCSCCC1CC1 62a_100009813376_100000764125 [0,1,0,1,0,0|1,0,1]=4 23697 B13R1.659 NCCCCCCCCOC1CC1 34a_102515433106_100000211595 [0,1,0,1,0,0|1,0,1]=4 23698 B13R1.659 NCCCCCCCOCC1CC1 34a_100011996573_100000742324 [0,1,0,1,0,0|1,0,1]=4 23699 B13R1.659 NCCCCCCOCCC1CC1 34a_100000686447_100000694398 [0,1,0,1,0,0|1,0,1]=4 23700 B13R1.659 O=CCCCCCOCCC1CC1 7a_100000754188_100000139337 [0,1,0,1,0,0|0,0,0]=2 23701 B13R1.659 O=CCCCCCSCCC1CC1 62a_100000139337_100000764125 [0,1,0,1,0,0|0,0,0]=2 23702 B13R1.659 O=CCCCCCSCCC1CC1 62a_100000764125_100000139337 [0,1,0,1,0,0|0,0,0]=2 23703 B13R1.659 O=CCCCCCSCCC1CO1 62a_100000139337_100000732470 [0,1,0,1,0,0|1,0,0]=3 23704 B13R1.659 O=CCCCCCSCCC1CO1 62a_100000732470_100000139337 [0,1,0,1,0,0|1,0,0]=3 23705 B13R1.659 O=CCCCCOCC#CC1CC1 7a_100000083941_100000139335 [0,1,0,1,0,0|0,0,2]=4 23706 B13R1.659 O=CCCCCSCC#CC1CC1 62a_100000139335_100009895102 [0,1,0,1,0,0|0,0,2]=4 23707 B13R1.659 O=CCCCCSCC#CC1CC1 62a_100009895102_100000139335 [0,1,0,1,0,0|0,0,2]=4 23708 B13R1.659 O=CCCCCSCCCC1CO1 62a_100000139335_100000733510 [0,1,0,1,0,0|1,0,0]=3 23709 B13R1.659 O=CCCCCSCCCC1CO1 62a_100000733510_100000139335 [0,1,0,1,0,0|1,0,0]=3 23710 B13R1.659 O=CCOCCCCOCC1CO1 34a_100010889290_200009817547 [0,1,0,1,0,0|2,0,0]=4 23711 B13R1.659 O=CCOCCCCOCC1CO1 7a_100010889290_200015260668 [0,1,0,1,0,0|2,0,0]=4 23712 B13R1.659 OCCCCCCCCNC1CC1 34a_100000212008_100000033203 [0,1,0,1,0,0|0,0,2]=4 23713 B13R1.659 OCCCCCCCCNC1CC1 34a_102515433106_100000211595 [0,1,0,1,0,0|0,0,2]=4 23714 B13R1.659 OCCCCCCCCSC1CC1 62a_100000033203_100000211595 [0,1,0,1,0,0|0,0,2]=4 23715 B13R1.659 OCCCCCCCNCC1CC1 2230a_100000735609_100000760002 [0,1,0,1,0,0|0,0,2]=4 23716 B13R1.659 OCCCCCCCNCC1CC1 2230a_100011996573_100000742324 [0,1,0,1,0,0|0,0,2]=4 23717 B13R1.659 OCCCCCCCNCC1CC1 269862a_100011996573_100000741477 [0,1,0,1,0,0|0,0,2]=4 23718 B13R1.659 OCCCCCCCNCC1CC1 34a_100000735609_100000760002 [0,1,0,1,0,0|0,0,2]=4 23719 B13R1.659 OCCCCCCCNCC1CC1 34a_100011996573_100000742324 [0,1,0,1,0,0|0,0,2]=4 23720 B13R1.659 OCCCCCCCOCC1CC1 34a_100000211283_100000760002 [0,1,0,1,0,0|0,0,2]=4 23721 B13R1.659 OCCCCCCCSCC1CC1 62a_100000756562_100000760002 [0,1,0,1,0,0|0,0,2]=4 23722 B13R1.659 OCCCCCCCSCC1CC1 62a_100000760002_100000742324 [0,1,0,1,0,0|0,0,2]=4 23723 B13R1.659 OCCCCCCNCCC1CC1 2230a_100000686447_100000694398 [0,1,0,1,0,0|0,0,2]=4 23724 B13R1.659 OCCCCCCNCCC1CC1 34a_100000686447_100000694398 [0,1,0,1,0,0|0,0,2]=4 23725 B13R1.659 OCCCCCCNCCC1CC1 34a_100000764129_100000766143 [0,1,0,1,0,0|0,0,2]=4 23726 B13R1.659 OCCCCCCOCCC1CC1 34a_100000754188_100000766143 [0,1,0,1,0,0|0,0,2]=4 23727 B13R1.659 OCCCCCCOCCC1CC1 7a_100000754188_100000766143 [0,1,0,1,0,0|0,0,2]=4 23728 B13R1.659 OCCCCCCSCCC1CC1 62a_100000764125_100000766143 [0,1,0,1,0,0|0,0,2]=4 23729 B13R1.659 OCCCCCCSCCC1CC1 62a_100000766143_100000764125 [0,1,0,1,0,0|0,0,2]=4 23730 B13R1.667 C#CCCCCCCN1CCC1C 269982a_100000755817_100012276617 [0,1,0,1,0,0|1,0,1]=4 23731 B13R1.667 C#CCCCCCCN1CCC1C 34a_100000755817_100012276617 [0,1,0,1,0,0|1,0,1]=4 23732 B13R1.667 C#CCCCCCOC1CCC1=O 34a_100000766912_100009892977 [0,1,0,1,0,0|0,0,2]=4 23733 B13R1.667 C#CCCCCCOC1CCC1=O 7a_100000766912_100009892977 [0,1,0,1,0,0|0,0,2]=4 23734 B13R1.667 C#CCCCCCSC1CCC1=O 62a_100009892977_100012094781 [0,1,0,1,0,0|0,0,2]=4 23735 B13R1.667 C#CCCCCCSC1CCC1=O 62a_100012094781_100009892977 [0,1,0,1,0,0|0,0,2]=4 23736 B13R1.667 C#CCCCOCCC1CCC1=O 7a_100000215630_200016118888 [0,1,0,1,0,0|0,0,2]=4 23737 B13R1.667 C#CCCCSCCC1CCC1=O 62a_100011215417_200016118888 [0,1,0,1,0,0|0,0,2]=4 23738 B13R1.667 C#CCCCSCCC1CCC1=O 62a_200016118888_100011215417 [0,1,0,1,0,0|0,0,2]=4 23739 B13R1.667 C=CCCCCCCN1CCC1C 269982a_100000755817_100011215473 [0,1,0,1,0,0|1,0,0]=3 23740 B13R1.667 C=CCCCCCCN1CCC1C 34a_100000755817_100011215473 [0,1,0,1,0,0|1,0,0]=3 23741 B13R1.667 C=CCCCCCOC1CCC1=O 34a_100011216702_100009892977 [0,1,0,1,0,0|0,0,2]=4 23742 B13R1.667 C=CCCCCCOC1CCC1=O 7a_100011216702_100009892977 [0,1,0,1,0,0|0,0,2]=4 23743 B13R1.667 C=CCCCCCSC1CCC1=O 62a_100000700193_100009892977 [0,1,0,1,0,0|0,0,2]=4 23744 B13R1.667 C=CCCCCCSC1CCC1=O 62a_100009892977_100000700193 [0,1,0,1,0,0|0,0,2]=4 23745 B13R1.667 C=CCCCNCCC1CCC1=O 2230a_100000700776_200016118888 [0,1,0,1,0,0|0,0,2]=4 23746 B13R1.667 C=CCCCOCCC1CCC1=O 7a_100000758997_200016118888 [0,1,0,1,0,0|0,0,2]=4 23747 B13R1.667 C=CCCCSCCC1CCC1=O 62a_100011713584_200016118888 [0,1,0,1,0,0|0,0,2]=4 23748 B13R1.667 C=CCCCSCCC1CCC1=O 62a_200016118888_100000757094 [0,1,0,1,0,0|0,0,2]=4 23749 B13R1.667 CC/C=C/CCCOC1CCC1=O 34a_100016287902_100009892977 [0,1,0,1,0,0|0,0,2]=4 23750 B13R1.667 CC/C=C/CCCOC1CCC1=O 7a_100016287902_100009892977 [0,1,0,1,0,0|0,0,2]=4 23751 B13R1.667 CC/C=C\CSCCC1CCC1=O 62a_100103147603_200016118888 [0,1,0,1,0,0|0,0,2]=4 23752 B13R1.667 CC/C=C\CSCCC1CCC1=O 62a_200016118888_100103147603 [0,1,0,1,0,0|0,0,2]=4 23753 B13R1.667 CC1CCN1CCCCCCC#N 269982a_100000755817_100009813337 [0,1,0,1,0,0|1,0,1]=4 23754 B13R1.667 CC1CCN1CCCCCCCO 269982a_100000755817_100000760002 [0,1,0,1,0,0|0,0,2]=4 23755 B13R1.667 CC1CCN1CCCCCCCO 34a_100000755817_100000760002 [0,1,0,1,0,0|0,0,2]=4 23756 B13R1.667 CCC#CCSCCC1CCC1=O 62a_100009813939_200016118888 [0,1,0,1,0,0|0,0,2]=4 23757 B13R1.667 CCC#CCSCCC1CCC1=O 62a_200016118888_100009813939 [0,1,0,1,0,0|0,0,2]=4 23758 B13R1.667 CCCC#CCCOC1CCC1=O 34a_100000042726_100009892977 [0,1,0,1,0,0|0,0,2]=4 23759 B13R1.667 CCCC#CCCOC1CCC1=O 7a_100000042726_100009892977 [0,1,0,1,0,0|0,0,2]=4 23760 B13R1.667 CCCC/C=C/COC1CCC1=O 34a_200016272032_100009892977 [0,1,0,1,0,0|0,0,2]=4 23761 B13R1.667 CCCC/C=C/COC1CCC1=O 7a_200016272032_100009892977 [0,1,0,1,0,0|0,0,2]=4 23762 B13R1.667 CCCCC#CCOC1CCC1=O 34a_200000034558_100009892977 [0,1,0,1,0,0|0,0,2]=4 23763 B13R1.667 CCCCC#CCOC1CCC1=O 7a_200000034558_100009892977 [0,1,0,1,0,0|0,0,2]=4 23764 B13R1.667 CCCCCCCCN1CCC1C 269982a_100000755817_100000210759 [0,1,0,1,0,0|1,0,1]=4 23765 B13R1.667 CCCCCCCCN1CCC1C 34a_100000755817_100000210759 [0,1,0,1,0,0|1,0,1]=4 23766 B13R1.667 CCCCCCCOC1CCC1=O 34a_100000210272_100009892977 [0,1,0,1,0,0|0,0,0]=2 23767 B13R1.667 CCCCCCCOC1CCC1=O 7a_100000210272_100009892977 [0,1,0,1,0,0|0,0,0]=2 23768 B13R1.667 CCCCCCCSC1CCC1=O 62a_100000210614_100009892977 [0,1,0,1,0,0|0,0,0]=2 23769 B13R1.667 CCCCCCCSC1CCC1=O 62a_100009892977_100000210316 [0,1,0,1,0,0|0,0,0]=2 23770 B13R1.667 CCCCCNCCC1CCC1=O 2230a_100000209983_200016118888 [0,1,0,1,0,0|0,0,0]=2 23771 B13R1.667 CCCCCOCCC1CCC1=O 7a_100000210253_200016118888 [0,1,0,1,0,0|0,0,0]=2 23772 B13R1.667 CCCCCSCCC1CCC1=O 62a_100000210326_200016118888 [0,1,0,1,0,0|0,0,0]=2 23773 B13R1.667 CCCCCSCCC1CCC1=O 62a_200016118888_100000210326 [0,1,0,1,0,0|0,0,0]=2 23774 B13R1.667 CCCCOCCOC1CCC1=O 34a_100000210238_100009892977 [0,1,0,1,0,0|1,0,0]=3 23775 B13R1.667 CCCCOCCOC1CCC1=O 7a_100000210238_100009892977 [0,1,0,1,0,0|1,0,0]=3 23776 B13R1.667 CCCCOCCSC1CCC1=O 62a_100000743108_100009892977 [0,1,0,1,0,0|1,0,0]=3 23777 B13R1.667 CCCCOCCSC1CCC1=O 62a_100009892977_100000743108 [0,1,0,1,0,0|1,0,0]=3 23778 B13R1.667 CCCCSCCOC1CCC1=O 34a_200000230436_100009892977 [0,1,0,1,0,0|1,0,0]=3 23779 B13R1.667 CCCCSCCOC1CCC1=O 7a_200000230436_100009892977 [0,1,0,1,0,0|1,0,0]=3 23780 B13R1.667 CCCOCCCNC1CCC1=O 34a_100011217757_100009892977 [0,1,0,1,0,0|1,0,0]=3 23781 B13R1.667 CCOCCNCCC1CCC1=O 2230a_102516460346_200016118888 [0,1,0,1,0,0|1,0,0]=3 23782 B13R1.667 CCOCCOCCC1CCC1=O 7a_100000210136_200016118888 [0,1,0,1,0,0|1,0,0]=3 23783 B13R1.667 CCOCCSCCC1CCC1=O 62a_100000210147_200016118888 [0,1,0,1,0,0|1,0,0]=3 23784 B13R1.667 CCOCCSCCC1CCC1=O 62a_200016118888_100011215890 [0,1,0,1,0,0|1,0,0]=3 23785 B13R1.667 CCSCCNCCC1CCC1=O 2230a_100000106463_200016118888 [0,1,0,1,0,0|1,0,0]=3 23786 B13R1.667 CCSCCOCCC1CCC1=O 7a_100000212035_200016118888 [0,1,0,1,0,0|1,0,0]=3 23787 B13R1.667 CCSCCSCCC1CCC1=O 62a_100000757381_200016118888 [0,1,0,1,0,0|1,0,0]=3 23788 B13R1.667 CCSCCSCCC1CCC1=O 62a_200016118888_100000757381 [0,1,0,1,0,0|1,0,0]=3 23789 B13R1.667 CNCCCCCOC1CCC1=O 34a_100000722520_100009892977 [0,1,0,1,0,0|1,0,0]=3 23790 B13R1.667 CNCCOCCOC1CCC1=O 34a_100000228057_100009892977 [0,1,0,1,0,0|2,0,0]=4 23791 B13R1.667 COCCCCCCN1CCC1C 269982a_100000755817_100011998445 [0,1,0,1,0,0|2,0,0]=4 23792 B13R1.667 COCCCCCCN1CCC1C 34a_100000755817_100011998445 [0,1,0,1,0,0|2,0,0]=4 23793 B13R1.667 COCCCCCNC1CCC1=O 34a_100000747528_100009892977 [0,1,0,1,0,0|1,0,0]=3 23794 B13R1.667 COCCCSCCC1CCC1=O 62a_100000709357_200016118888 [0,1,0,1,0,0|1,0,0]=3 23795 B13R1.667 COCCCSCCC1CCC1=O 62a_200016118888_100000709357 [0,1,0,1,0,0|1,0,0]=3 23796 B13R1.667 COCCOCCNC1CCC1=O 34a_100000745349_100009892977 [0,1,0,1,0,0|2,0,0]=4 23797 B13R1.667 COCCOCCOC1CCC1=O 34a_100011215163_100009892977 [0,1,0,1,0,0|2,0,0]=4 23798 B13R1.667 COCCOCCOC1CCC1=O 7a_100011215163_100009892977 [0,1,0,1,0,0|2,0,0]=4 23799 B13R1.667 COCCOCCSC1CCC1=O 62a_100000695917_100009892977 [0,1,0,1,0,0|2,0,0]=4 23800 B13R1.667 COCCOCCSC1CCC1=O 62a_100009892977_100000695917 [0,1,0,1,0,0|2,0,0]=4 23801 B13R1.667 CSCCCNCCC1CCC1=O 2230a_100000749238_200016118888 [0,1,0,1,0,0|1,0,0]=3 23802 B13R1.667 CSCCCOCCC1CCC1=O 7a_100000690336_200016118888 [0,1,0,1,0,0|1,0,0]=3 23803 B13R1.667 N#CCCCCCSC1CCC1=O 62a_100009813376_100009892977 [0,1,0,1,0,0|1,0,1]=4 23804 B13R1.667 N#CCCCCCSC1CCC1=O 62a_100009892977_100009813376 [0,1,0,1,0,0|1,0,1]=4 23805 B13R1.667 N#CCCCSCCC1CCC1=O 62a_100000687738_200016118888 [0,1,0,1,0,0|1,0,1]=4 23806 B13R1.667 N#CCCCSCCC1CCC1=O 62a_200016118888_100000687738 [0,1,0,1,0,0|1,0,1]=4 23807 B13R1.667 NCCCCCCOC1CCC1=O 34a_100000686447_100009892977 [0,1,0,1,0,0|1,0,0]=3 23808 B13R1.667 O=C1CCC1CCNCCCCO 2230a_100000750430_200016118888 [0,1,0,1,0,0|1,0,0]=3 23809 B13R1.667 O=C1CCC1CCOCCCCCl 7a_100000210776_200016118888 [0,1,0,1,0,0|1,0,0]=3 23810 B13R1.667 O=C1CCC1CCOCCCCF 7a_100011995726_200016118888 [0,1,0,1,0,0|1,0,0]=3 23811 B13R1.667 O=C1CCC1CCSCCCCF 62a_100000729493_200016118888 [0,1,0,1,0,0|1,0,0]=3 23812 B13R1.667 O=C1CCC1CCSCCCCF 62a_200016118888_100000729493 [0,1,0,1,0,0|1,0,0]=3 23813 B13R1.667 O=C1CCC1CCSCCCCO 62a_100000210776_200016118888 [0,1,0,1,0,0|1,0,0]=3 23814 B13R1.667 O=C1CCC1CCSCCCCO 62a_200016118888_100000210776 [0,1,0,1,0,0|1,0,0]=3 23815 B13R1.667 O=C1CCC1NCCCCCCO 34a_100000686447_100009892977 [0,1,0,1,0,0|1,0,0]=3 23816 B13R1.667 O=C1CCC1OCCCCCCBr 34a_100011215345_100009892977 [0,1,0,1,0,0|1,0,0]=3 23817 B13R1.667 O=C1CCC1OCCCCCCBr 7a_100011215345_100009892977 [0,1,0,1,0,0|1,0,0]=3 23818 B13R1.667 O=C1CCC1OCCCCCCCl 34a_100000766143_100009892977 [0,1,0,1,0,0|1,0,0]=3 23819 B13R1.667 O=C1CCC1OCCCCCCCl 7a_100000766143_100009892977 [0,1,0,1,0,0|1,0,0]=3 23820 B13R1.667 O=C1CCC1OCCCCCCF 34a_100000732779_100009892977 [0,1,0,1,0,0|1,0,0]=3 23821 B13R1.667 O=C1CCC1OCCCCCCF 7a_100000732779_100009892977 [0,1,0,1,0,0|1,0,0]=3 23822 B13R1.667 O=C1CCC1SCCCCCCF 62a_100009892977_100015922095 [0,1,0,1,0,0|1,0,0]=3 23823 B13R1.667 O=C1CCC1SCCCCCCF 62a_100015922095_100009892977 [0,1,0,1,0,0|1,0,0]=3 23824 B13R1.667 O=C1CCC1SCCCCCCO 62a_100000766143_100009892977 [0,1,0,1,0,0|1,0,0]=3 23825 B13R1.667 O=C1CCC1SCCCCCCO 62a_100009892977_100000766143 [0,1,0,1,0,0|1,0,0]=3 23826 B13R1.667 O=CCCCCCSC1CCC1=O 62a_100000139337_100009892977 [0,1,0,1,0,0|1,0,1]=4 23827 B13R1.667 O=CCCCCCSC1CCC1=O 62a_100009892977_100000139337 [0,1,0,1,0,0|1,0,1]=4 23828 B13R1.667 O=CCCCSCCC1CCC1=O 62a_200011292268_200016118888 [0,1,0,1,0,0|1,0,1]=4 23829 B13R1.667 O=CCCCSCCC1CCC1=O 62a_200016118888_200011292268 [0,1,0,1,0,0|1,0,1]=4 23830 B13R1.671 C=CCCCN1CCC[C@H]1COC 2230a_100020646714_100011713584 [0,1,0,1,0,0|2,0,0]=4 23831 B13R1.671 C=CCCCN1CCC[C@H]1COC 269982a_100020646714_100000757094 [0,1,0,1,0,0|2,0,0]=4 23832 B13R1.671 C=CCCCN1CCC[C@H]1COC 34a_100020646714_100000757094 [0,1,0,1,0,0|2,0,0]=4 23833 B13R1.671 C=CCCNC1CCCC1CCC 269862a_100015191253_100000723119 [0,1,0,1,0,0|1,0,0]=3 23834 B13R1.671 C=CCCNC1CCCC1CCC 270004a_100015191253_100000723119 [0,1,0,1,0,0|1,0,0]=3 23835 B13R1.671 C=CCOCC1CCCN1CCC 34a_200000694710_100015514636 [0,1,0,1,0,0|2,0,0]=4 23836 B13R1.671 C=CCOCC1CCCN1CCC 7a_200000694710_100015514636 [0,1,0,1,0,0|2,0,0]=4 23837 B13R1.671 CCCC1CCCC1NCCC#N 270004a_100000720768_100000723119 [0,1,0,1,0,0|1,0,1]=4 23838 B13R1.671 CCCC1CCCC1NCCCF 269862a_100015189416_100000723119 [0,1,0,1,0,0|1,0,1]=4 23839 B13R1.671 CCCC1CCCC1NCCCF 270004a_100015189416_100000723119 [0,1,0,1,0,0|1,0,1]=4 23840 B13R1.671 CCCC1CCCC1NCCCO 269862a_100000182051_100000723119 [0,1,0,1,0,0|0,0,2]=4 23841 B13R1.671 CCCC1CCCC1NCCCO 270004a_100000182051_100000723119 [0,1,0,1,0,0|0,0,2]=4 23842 B13R1.671 CCCC1CCCC1NCCOC 269862a_100000209980_100000723119 [0,1,0,1,0,0|2,0,0]=4 23843 B13R1.671 CCCC1CCCC1NCCOC 270004a_100000209980_100000723119 [0,1,0,1,0,0|2,0,0]=4 23844 B13R1.671 CCCC1CCCC1NCCSC 269862a_100020590264_100000723119 [0,1,0,1,0,0|2,0,0]=4 23845 B13R1.671 CCCC1CCCC1NCCSC 270004a_100020590264_100000723119 [0,1,0,1,0,0|2,0,0]=4 23846 B13R1.671 CCCCCC1CCCC1NCC 269862a_100015525214_200000198059 [0,1,0,1,0,0|1,0,1]=4 23847 B13R1.671 CCCCCC1CCCC1NCC 270004a_100015525214_200000198059 [0,1,0,1,0,0|1,0,1]=4 23848 B13R1.671 CCCCCN1CCC[C@H]1COC 2230a_100020646714_100000210326 [0,1,0,1,0,0|2,0,0]=4 23849 B13R1.671 CCCCCN1CCC[C@H]1COC 269982a_100020646714_100000210215 [0,1,0,1,0,0|2,0,0]=4 23850 B13R1.671 CCCCCN1CCC[C@H]1COC 34a_100020646714_100000718602 [0,1,0,1,0,0|2,0,0]=4 23851 B13R1.671 CCCCNC1CCCC1CCC 269862a_100000102301_100000723119 [0,1,0,1,0,0|1,0,1]=4 23852 B13R1.671 CCCCNC1CCCC1CCC 270004a_100000102301_100000723119 [0,1,0,1,0,0|1,0,1]=4 23853 B13R1.671 CCCN1CCCC1COCC=O 34a_200000694710_200009817547 [0,1,0,1,0,0|1,0,0]=3 23854 B13R1.671 CCCN1CCCC1COCC=O 7a_200000694710_200015260668 [0,1,0,1,0,0|1,0,0]=3 23855 B13R1.671 COC[C@@H]1CCCN1CCCC=O 2230a_100020646714_200011292268 [0,1,0,1,0,0|1,0,0]=3 23856 B13R1.671 COC[C@@H]1CCCN1CCCC=O 269982a_100020646714_200011292268 [0,1,0,1,0,0|1,0,0]=3 23857 B13R1.1150 C#CCCCN1CCCCCCC1 2230a_100000211400_100000731252 [0,1,0,1,0,0|1,0,1]=4 23858 B13R1.1150 C#CCCCN1CCCCCCC1 269982a_100000211400_100011215417 [0,1,0,1,0,0|1,0,1]=4 23859 B13R1.1150 C#CCCCN1CCCCCCC1 34a_100000211400_100000695029 [0,1,0,1,0,0|1,0,1]=4 23860 B13R1.1150 C#CCCNC1CCCCCCC1 2230a_100000211152_100000688953 [0,1,0,1,0,0|1,0,1]=4 23861 B13R1.1150 C#CCCNC1CCCCCCC1 34a_100000211152_100000688953 [0,1,0,1,0,0|1,0,1]=4 23862 B13R1.1150 C#CCCOC1CCCCCCC1 34a_100000210054_100000688953 [0,1,0,1,0,0|1,0,1]=4 23863 B13R1.1150 C#CCCOC1CCCCCCC1 7a_100000210054_100000688953 [0,1,0,1,0,0|1,0,1]=4 23864 B13R1.1150 C#CCOCC1CCCCCCC1 34a_100011216312_100000184674 [0,1,0,1,0,0|1,0,1]=4 23865 B13R1.1150 C#CCOCC1CCCCCCC1 7a_100011216312_100000038162 [0,1,0,1,0,0|1,0,1]=4 23866 B13R1.1150 C/C=C/CNC1CCCCCCC1 34a_100000211152_100102629194 [0,1,0,1,0,0|1,0,1]=4 23867 B13R1.1150 C/C=C/COC1CCCCCCC1 34a_100000210054_100102629194 [0,1,0,1,0,0|1,0,1]=4 23868 B13R1.1150 C/C=C/COC1CCCCCCC1 7a_100000210054_100102629194 [0,1,0,1,0,0|1,0,1]=4 23869 B13R1.1150 C=CCCCN1CCCCCCC1 2230a_100000211400_100011713584 [0,1,0,1,0,0|1,0,0]=3 23870 B13R1.1150 C=CCCCN1CCCCCCC1 269982a_100000211400_100000757094 [0,1,0,1,0,0|1,0,0]=3 23871 B13R1.1150 C=CCCCN1CCCCCCC1 34a_100000211400_100000757094 [0,1,0,1,0,0|1,0,0]=3 23872 B13R1.1150 C=CCCNC1CCCCCCC1 2230a_100000211152_100000754431 [0,1,0,1,0,0|1,0,0]=3 23873 B13R1.1150 C=CCCNC1CCCCCCC1 270004a_100015191253_100000210524 [0,1,0,1,0,0|1,0,0]=3 23874 B13R1.1150 C=CCCNC1CCCCCCC1 34a_100000211152_100000754431 [0,1,0,1,0,0|1,0,0]=3 23875 B13R1.1150 C=CCCOC1CCCCCCC1 34a_100000210054_100000754431 [0,1,0,1,0,0|1,0,0]=3 23876 B13R1.1150 C=CCCOC1CCCCCCC1 7a_100000210054_100000754431 [0,1,0,1,0,0|1,0,0]=3 23877 B13R1.1150 C=CCOCC1CCCCCCC1 34a_100011216312_100015514636 [0,1,0,1,0,0|1,0,0]=3 23878 B13R1.1150 C=CCOCC1CCCCCCC1 7a_100011216312_100015514636 [0,1,0,1,0,0|1,0,0]=3 23879 B13R1.1150 C=COCCN1CCCCCCC1 2230a_100000211400_100000039644 [0,1,0,1,0,0|2,0,0]=4 23880 B13R1.1150 C=COCCN1CCCCCCC1 269982a_100000211400_100000039644 [0,1,0,1,0,0|2,0,0]=4 23881 B13R1.1150 C=COCCN1CCCCCCC1 34a_100000211400_100000039644 [0,1,0,1,0,0|2,0,0]=4 23882 B13R1.1150 CC=CCNC1CCCCCCC1 2230a_100000211152_100000070051 [0,1,0,1,0,0|1,0,1]=4 23883 B13R1.1150 CC=CCNC1CCCCCCC1 34a_100000211152_100000070051 [0,1,0,1,0,0|1,0,1]=4 23884 B13R1.1150 CC=CCOC1CCCCCCC1 34a_100000210054_100000070051 [0,1,0,1,0,0|1,0,1]=4 23885 B13R1.1150 CC=CCOC1CCCCCCC1 7a_100000210054_100000070051 [0,1,0,1,0,0|1,0,1]=4 23886 B13R1.1150 CCCCCN1CCCCCCC1 2230a_100000211400_100000210326 [0,1,0,1,0,0|1,0,1]=4 23887 B13R1.1150 CCCCCN1CCCCCCC1 269982a_100000211400_100000210215 [0,1,0,1,0,0|1,0,1]=4 23888 B13R1.1150 CCCCCN1CCCCCCC1 34a_100000211400_100000718602 [0,1,0,1,0,0|1,0,1]=4 23889 B13R1.1150 CCCCNC1CCCCCCC1 2230a_100000211152_100000210211 [0,1,0,1,0,0|1,0,1]=4 23890 B13R1.1150 CCCCNC1CCCCCCC1 270004a_100000102301_100000210524 [0,1,0,1,0,0|1,0,1]=4 23891 B13R1.1150 CCCCNC1CCCCCCC1 34a_100000211152_100000210210 [0,1,0,1,0,0|1,0,1]=4 23892 B13R1.1150 CCCCOC1C=CCCCCC1 34a_100000688657_100000210210 [0,1,0,1,0,0|1,0,0]=3 23893 B13R1.1150 CCCCOC1CCCCCCC1 34a_100000210054_100000210210 [0,1,0,1,0,0|1,0,1]=4 23894 B13R1.1150 CCCCOC1CCCCCCC1 7a_100000210054_100000210211 [0,1,0,1,0,0|1,0,1]=4 23895 B13R1.1150 CCCOCC1CCCCCCC1 34a_100011216312_100000210303 [0,1,0,1,0,0|1,0,1]=4 23896 B13R1.1150 CCCOCC1CCCCCCC1 7a_100011216312_100000210303 [0,1,0,1,0,0|1,0,1]=4 23897 B13R1.1150 CCNCCC1CCCCCCC1 2230a_100011532352_100000210202 [0,1,0,1,0,0|1,0,1]=4 23898 B13R1.1150 CCNCCC1CCCCCCC1 34a_100011532352_100000210202 [0,1,0,1,0,0|1,0,1]=4 23899 B13R1.1150 COCCCN1CCCCCCC1 2230a_100000211400_100000740836 [0,1,0,1,0,0|2,0,0]=4 23900 B13R1.1150 COCCCN1CCCCCCC1 269982a_100000211400_100000740836 [0,1,0,1,0,0|2,0,0]=4 23901 B13R1.1150 COCCCN1CCCCCCC1 34a_100000211400_100000740836 [0,1,0,1,0,0|2,0,0]=4 23902 B13R1.1150 COCCNC1CCCCCCC1 2230a_100000211152_100011201679 [0,1,0,1,0,0|2,0,0]=4 23903 B13R1.1150 COCCNC1CCCCCCC1 270004a_100000209980_100000210524 [0,1,0,1,0,0|2,0,0]=4 23904 B13R1.1150 COCCNC1CCCCCCC1 34a_100000211152_100011201679 [0,1,0,1,0,0|2,0,0]=4 23905 B13R1.1150 COCCOC1C=CCCCCC1 34a_100000688657_100011201679 [0,1,0,1,0,0|2,0,0]=4 23906 B13R1.1150 COCCOC1CCCCCCC1 34a_100000210054_100011201679 [0,1,0,1,0,0|2,0,0]=4 23907 B13R1.1150 COCCOC1CCCCCCC1 7a_100000210054_100000233755 [0,1,0,1,0,0|2,0,0]=4 23908 B13R1.1150 CSCCNC1CCCCCCC1 2230a_100000211152_100000751147 [0,1,0,1,0,0|2,0,0]=4 23909 B13R1.1150 CSCCNC1CCCCCCC1 270004a_100020590264_100000210524 [0,1,0,1,0,0|2,0,0]=4 23910 B13R1.1150 CSCCNC1CCCCCCC1 34a_100000211152_100000212216 [0,1,0,1,0,0|2,0,0]=4 23911 B13R1.1150 CSCCOC1C=CCCCCC1 34a_100000688657_100000212216 [0,1,0,1,0,0|2,0,0]=4 23912 B13R1.1150 CSCCOC1CCCCCCC1 34a_100000210054_100000212216 [0,1,0,1,0,0|2,0,0]=4 23913 B13R1.1150 CSCCOC1CCCCCCC1 7a_100000210054_100000212216 [0,1,0,1,0,0|2,0,0]=4 23914 B13R1.1150 CSCOCC1CCCCCCC1 34a_100011216312_100011218213 [0,1,0,1,0,0|2,0,0]=4 23915 B13R1.1150 FCCCCN1CCCCCCC1 2230a_100000211400_100000729493 [0,1,0,1,0,0|1,0,1]=4 23916 B13R1.1150 FCCCCN1CCCCCCC1 269982a_100000211400_100000729493 [0,1,0,1,0,0|1,0,1]=4 23917 B13R1.1150 FCCCCN1CCCCCCC1 34a_100000211400_100000729493 [0,1,0,1,0,0|1,0,1]=4 23918 B13R1.1150 FCCCNC1CCCCCCC1 2230a_100000211152_100011934791 [0,1,0,1,0,0|1,0,1]=4 23919 B13R1.1150 FCCCNC1CCCCCCC1 270004a_100015189416_100000210524 [0,1,0,1,0,0|1,0,1]=4 23920 B13R1.1150 FCCCNC1CCCCCCC1 34a_100000211152_100011934791 [0,1,0,1,0,0|1,0,1]=4 23921 B13R1.1150 FCCCOC1C=CCCCCC1 34a_100000688657_100011934791 [0,1,0,1,0,0|2,0,0]=4 23922 B13R1.1150 FCCCOC1CCCCCCC1 34a_100000210054_100011934791 [0,1,0,1,0,0|1,0,1]=4 23923 B13R1.1150 FCCCOC1CCCCCCC1 7a_100000210054_100011934791 [0,1,0,1,0,0|1,0,1]=4 23924 B13R1.1150 FCCOCC1CCCCCCC1 34a_100011216312_100011217306 [0,1,0,1,0,0|1,0,1]=4 23925 B13R1.1150 FCCOCC1CCCCCCC1 7a_100011216312_100011217306 [0,1,0,1,0,0|1,0,1]=4 23926 B13R1.1150 FCNCCC1CCCCCCC1 34a_100011532352_100015361967 [0,1,0,1,0,0|1,0,1]=4 23927 B13R1.1150 N#CCCCN1CCCCCCC1 2230a_100000211400_100000687738 [0,1,0,1,0,0|1,0,1]=4 23928 B13R1.1150 N#CCCCN1CCCCCCC1 269982a_100000211400_100000687738 [0,1,0,1,0,0|1,0,1]=4 23929 B13R1.1150 N#CCCNC1CCCCCCC1 2230a_100000211152_100011215226 [0,1,0,1,0,0|1,0,1]=4 23930 B13R1.1150 N#CCCNC1CCCCCCC1 270004a_100000720768_100000210524 [0,1,0,1,0,0|1,0,1]=4 23931 B13R1.1150 N#CCCOC1CCCCCCC1 7a_100000210054_100000184422 [0,1,0,1,0,0|1,0,1]=4 23932 B13R1.1150 N#CCOCC1CCCCCCC1 7a_100011216312_100011215382 [0,1,0,1,0,0|1,0,1]=4 23933 B13R1.1150 O=CCCCN1CCCCCCC1 2230a_100000211400_200011292268 [0,1,0,1,0,0|0,0,0]=2 23934 B13R1.1150 O=CCCCN1CCCCCCC1 269982a_100000211400_200011292268 [0,1,0,1,0,0|0,0,0]=2 23935 B13R1.1150 O=CCNCC1CC/C=C\CCC1 2230a_100102730862_200015260668 [0,1,0,1,0,0|0,0,2]=4 23936 B13R1.1150 O=CCNCC1CC/C=C\CCC1 34a_100102730862_200009817547 [0,1,0,1,0,0|0,0,2]=4 23937 B13R1.1150 O=CCOCC1CCCCCCC1 34a_100011216312_200009817547 [0,1,0,1,0,0|0,0,0]=2 23938 B13R1.1150 O=CCOCC1CCCCCCC1 7a_100011216312_200015260668 [0,1,0,1,0,0|0,0,0]=2 23939 B13R1.1150 OCCCCN1CCCCCCC1 2230a_100000211400_100000210776 [0,1,0,1,0,0|0,0,2]=4 23940 B13R1.1150 OCCCCN1CCCCCCC1 269982a_100000211400_100000210776 [0,1,0,1,0,0|0,0,2]=4 23941 B13R1.1150 OCCCCN1CCCCCCC1 34a_100000211400_100011216708 [0,1,0,1,0,0|0,0,2]=4 23942 B13R1.1150 OCCCNC1CCCCCCC1 2230a_100000211152_100000230001 [0,1,0,1,0,0|0,0,2]=4 23943 B13R1.1150 OCCCNC1CCCCCCC1 270004a_100000182051_100000210524 [0,1,0,1,0,0|0,0,2]=4 23944 B13R1.1150 OCCCNC1CCCCCCC1 34a_100000211152_100000230001 [0,1,0,1,0,0|0,0,2]=4 23945 B13R1.1150 OCCCOC1C=CCCCCC1 34a_100000688657_100000230001 [0,1,0,1,0,0|2,0,0]=4 23946 B13R1.1150 OCCCOC1CCCCCCC1 34a_100000210054_100000230001 [0,1,0,1,0,0|0,0,2]=4 23947 B13R1.1150 OCCCOC1CCCCCCC1 7a_100000210054_100011215043 [0,1,0,1,0,0|0,0,2]=4 23948 B13R1.1150 OCCOCC1CCCCCCC1 34a_100011216312_100000211926 [0,1,0,1,0,0|0,0,2]=4 23949 B13R1.1150 OCCOCC1CCCCCCC1 7a_100011216312_100000211926 [0,1,0,1,0,0|0,0,2]=4 23950 B13R1.1887 BrCCCCOC1CCCCCC1 34a_100011216708_100011217769 [0,1,0,1,0,0|1,0,1]=4 23951 B13R1.1887 BrCCCOCC1CCCCCC1 34a_100011217188_200000696569 [0,1,0,1,0,0|1,0,1]=4 23952 B13R1.1887 C#CCCCCN1CCCCCC1 2230a_100000185865_100010269958 [0,1,0,1,0,0|1,0,1]=4 23953 B13R1.1887 C#CCCCCN1CCCCCC1 269982a_100000185865_100010269958 [0,1,0,1,0,0|1,0,1]=4 23954 B13R1.1887 C#CCCCCN1CCCCCC1 34a_100000185865_100010269958 [0,1,0,1,0,0|1,0,1]=4 23955 B13R1.1887 C#CCCCNC1CCCCCC1 2230a_100000210984_100000731252 [0,1,0,1,0,0|1,0,1]=4 23956 B13R1.1887 C#CCCCNC1CCCCCC1 270004a_100000718082_100000210131 [0,1,0,1,0,0|1,0,1]=4 23957 B13R1.1887 C#CCCCNC1CCCCCC1 34a_100000210984_100000695029 [0,1,0,1,0,0|1,0,1]=4 23958 B13R1.1887 C#CCCCNC1CCCCCC1 34a_100000718082_100011217769 [0,1,0,1,0,0|1,0,1]=4 23959 B13R1.1887 C#CCCCOC1CCCCCC1 34a_100000210887_100000695029 [0,1,0,1,0,0|1,0,1]=4 23960 B13R1.1887 C#CCCCOC1CCCCCC1 34a_100000215630_100011217769 [0,1,0,1,0,0|1,0,1]=4 23961 B13R1.1887 C#CCCCOC1CCCCCC1 7a_100000210887_100011215417 [0,1,0,1,0,0|1,0,1]=4 23962 B13R1.1887 C#CCCCSC1CCCCCC1 62a_100011215417_100011217769 [0,1,0,1,0,0|1,0,1]=4 23963 B13R1.1887 C#CCCCSC1CCCCCC1 62a_100011217769_100011215417 [0,1,0,1,0,0|1,0,1]=4 23964 B13R1.1887 C#CCCNCC1CCCCCC1 2230a_100015204231_100000688953 [0,1,0,1,0,0|1,0,1]=4 23965 B13R1.1887 C#CCCNCC1CCCCCC1 34a_100000755551_200000696569 [0,1,0,1,0,0|1,0,1]=4 23966 B13R1.1887 C#CCCNCC1CCCCCC1 34a_100015204231_100000688953 [0,1,0,1,0,0|1,0,1]=4 23967 B13R1.1887 C#CCCOCC1CCCCCC1 34a_100000699130_100000688953 [0,1,0,1,0,0|1,0,1]=4 23968 B13R1.1887 C#CCCOCC1CCCCCC1 34a_100011215631_200000696569 [0,1,0,1,0,0|1,0,1]=4 23969 B13R1.1887 C#CCCOCC1CCCCCC1 7a_100000699130_100000688953 [0,1,0,1,0,0|1,0,1]=4 23970 B13R1.1887 C#CCCSCC1CCCCCC1 62a_100000688953_200000696569 [0,1,0,1,0,0|1,0,1]=4 23971 B13R1.1887 C#CCCSCC1CCCCCC1 62a_200000696569_100000688953 [0,1,0,1,0,0|1,0,1]=4 23972 B13R1.1887 C#CCNCCC1CCCCCC1 2230a_100011532351_100000038162 [0,1,0,1,0,0|1,0,1]=4 23973 B13R1.1887 C#CCNCCC1CCCCCC1 34a_100011532351_100000184674 [0,1,0,1,0,0|1,0,1]=4 23974 B13R1.1887 C/C=C/CCOC1CCCCCC1 34a_100016278192_100011217769 [0,1,0,1,0,0|1,0,1]=4 23975 B13R1.1887 C/C=C/CNCC1CCCCCC1 34a_100015204231_100102629194 [0,1,0,1,0,0|1,0,1]=4 23976 B13R1.1887 C/C=C/COCC1CCCCCC1 34a_100000699130_100102629194 [0,1,0,1,0,0|1,0,1]=4 23977 B13R1.1887 C/C=C/COCC1CCCCCC1 34a_100016270725_200000696569 [0,1,0,1,0,0|1,0,1]=4 23978 B13R1.1887 C/C=C/COCC1CCCCCC1 7a_100000699130_100102629194 [0,1,0,1,0,0|1,0,1]=4 23979 B13R1.1887 C/C=C/CSCC1CCCCCC1 62a_100102629194_200000696569 [0,1,0,1,0,0|1,0,1]=4 23980 B13R1.1887 C/C=C/CSCC1CCCCCC1 62a_200000696569_100102629194 [0,1,0,1,0,0|1,0,1]=4 23981 B13R1.1887 C=CCCCCN1CCCCCC1 2230a_100000185865_100011215482 [0,1,0,1,0,0|1,0,0]=3 23982 B13R1.1887 C=CCCCCN1CCCCCC1 269982a_100000185865_100011215482 [0,1,0,1,0,0|1,0,0]=3 23983 B13R1.1887 C=CCCCCN1CCCCCC1 34a_100000185865_100011215482 [0,1,0,1,0,0|1,0,0]=3 23984 B13R1.1887 C=CCCCCN1CCCOCC1 2230a_100000685342_100011215482 [0,1,0,1,0,0|2,0,0]=4 23985 B13R1.1887 C=CCCCCN1CCCOCC1 269982a_100000685342_100011215482 [0,1,0,1,0,0|2,0,0]=4 23986 B13R1.1887 C=CCCCCN1CCCOCC1 34a_100000685342_100011215482 [0,1,0,1,0,0|2,0,0]=4 23987 B13R1.1887 C=CCCCNC1CCCCCC1 2230a_100000210984_100011713584 [0,1,0,1,0,0|1,0,0]=3 23988 B13R1.1887 C=CCCCNC1CCCCCC1 270004a_100000700776_100000210131 [0,1,0,1,0,0|1,0,0]=3 23989 B13R1.1887 C=CCCCNC1CCCCCC1 34a_100000210984_100000757094 [0,1,0,1,0,0|1,0,0]=3 23990 B13R1.1887 C=CCCCNC1CCCCCC1 34a_100000700776_100011217769 [0,1,0,1,0,0|1,0,0]=3 23991 B13R1.1887 C=CCCCNC1CCCNCC1 270004a_100000700776_100015187895 [0,1,0,1,0,0|2,0,0]=4 23992 B13R1.1887 C=CCCCOC1CCCCCC1 34a_100000210887_100000757094 [0,1,0,1,0,0|1,0,0]=3 23993 B13R1.1887 C=CCCCOC1CCCCCC1 34a_100000758997_100011217769 [0,1,0,1,0,0|1,0,0]=3 23994 B13R1.1887 C=CCCCOC1CCCCCC1 7a_100000210887_100000757094 [0,1,0,1,0,0|1,0,0]=3 23995 B13R1.1887 C=CCCCSC1CCCCCC1 62a_100011217769_100000757094 [0,1,0,1,0,0|1,0,0]=3 23996 B13R1.1887 C=CCCCSC1CCCCCC1 62a_100011713584_100011217769 [0,1,0,1,0,0|1,0,0]=3 23997 B13R1.1887 C=CCCNCC1CCCCCC1 2230a_100015191253_200000696569 [0,1,0,1,0,0|1,0,0]=3 23998 B13R1.1887 C=CCCNCC1CCCCCC1 2230a_100015204231_100000754431 [0,1,0,1,0,0|1,0,0]=3 23999 B13R1.1887 C=CCCNCC1CCCCCC1 269862a_100015191253_200000763224 [0,1,0,1,0,0|1,0,0]=3 24000 B13R1.1887 C=CCCNCC1CCCCCC1 34a_100015204231_100000754431 [0,1,0,1,0,0|1,0,0]=3 24001 B13R1.1887 C=CCCOCC1CCCCCC1 34a_100000699130_100000754431 [0,1,0,1,0,0|1,0,0]=3 24002 B13R1.1887 C=CCCOCC1CCCCCC1 34a_100011205117_200000696569 [0,1,0,1,0,0|1,0,0]=3 24003 B13R1.1887 C=CCCOCC1CCCCCC1 7a_100000699130_100000754431 [0,1,0,1,0,0|1,0,0]=3 24004 B13R1.1887 C=CCCSCC1CCCCCC1 62a_100000754431_200000696569 [0,1,0,1,0,0|1,0,0]=3 24005 B13R1.1887 C=CCCSCC1CCCCCC1 62a_200000696569_100000754431 [0,1,0,1,0,0|1,0,0]=3 24006 B13R1.1887 C=CCNCCC1CCCCCC1 2230a_100011532351_100000210623 [0,1,0,1,0,0|1,0,0]=3 24007 B13R1.1887 C=CCNCCC1CCCCCC1 34a_100011532351_100015514636 [0,1,0,1,0,0|1,0,0]=3 24008 B13R1.1887 C=CCOCCN1CCCCCC1 34a_100000238007_100015514636 [0,1,0,1,0,0|2,0,0]=4 24009 B13R1.1887 C=CCSCCN1CCCCCC1 62a_100000210623_100000722644 [0,1,0,1,0,0|2,0,0]=4 24010 B13R1.1887 C=CCSCCN1CCCCCC1 62a_100000722644_100000210623 [0,1,0,1,0,0|2,0,0]=4 24011 B13R1.1887 C=COCCNC1CCCCCC1 2230a_100000210984_100000039644 [0,1,0,1,0,0|2,0,0]=4 24012 B13R1.1887 C=COCCNC1CCCCCC1 34a_100000210984_100000039644 [0,1,0,1,0,0|2,0,0]=4 24013 B13R1.1887 C=COCCOC1CCCCCC1 34a_100000033082_100011217769 [0,1,0,1,0,0|2,0,0]=4 24014 B13R1.1887 C=COCCOC1CCCCCC1 34a_100000210887_100000039644 [0,1,0,1,0,0|2,0,0]=4 24015 B13R1.1887 C=COCCOC1CCCCCC1 7a_100000210887_100000039644 [0,1,0,1,0,0|2,0,0]=4 24016 B13R1.1887 C=COCCSC1CCCCCC1 62a_100000039644_100011217769 [0,1,0,1,0,0|2,0,0]=4 24017 B13R1.1887 C=COCCSC1CCCCCC1 62a_100011217769_100000039644 [0,1,0,1,0,0|2,0,0]=4 24018 B13R1.1887 CC=CCNCC1CCCCCC1 2230a_100015204231_100000070051 [0,1,0,1,0,0|1,0,1]=4 24019 B13R1.1887 CC=CCNCC1CCCCCC1 34a_100015204231_100000070051 [0,1,0,1,0,0|1,0,1]=4 24020 B13R1.1887 CC=CCOCC1CCCCCC1 34a_100000699130_100000070051 [0,1,0,1,0,0|1,0,1]=4 24021 B13R1.1887 CC=CCOCC1CCCCCC1 7a_100000699130_100000070051 [0,1,0,1,0,0|1,0,1]=4 24022 B13R1.1887 CC=CCSCC1CCCCCC1 62a_100000070051_200000696569 [0,1,0,1,0,0|1,0,1]=4 24023 B13R1.1887 CC=CCSCC1CCCCCC1 62a_200000696569_100000070051 [0,1,0,1,0,0|1,0,1]=4 24024 B13R1.1887 CCCCCCN1CCCCCC1 2230a_100000185865_100000210314 [0,1,0,1,0,0|1,0,1]=4 24025 B13R1.1887 CCCCCCN1CCCCCC1 269982a_100000185865_100000210757 [0,1,0,1,0,0|1,0,1]=4 24026 B13R1.1887 CCCCCCN1CCCCCC1 34a_100000185865_100000210314 [0,1,0,1,0,0|1,0,1]=4 24027 B13R1.1887 CCCCCNC1CCCCCC1 2230a_100000210984_100000210326 [0,1,0,1,0,0|1,0,1]=4 24028 B13R1.1887 CCCCCNC1CCCCCC1 270004a_100000209983_100000210131 [0,1,0,1,0,0|1,0,1]=4 24029 B13R1.1887 CCCCCNC1CCCCCC1 34a_100000210984_100000718602 [0,1,0,1,0,0|1,0,1]=4 24030 B13R1.1887 CCCCCOC1CCCCCC1 34a_100000210253_100011217769 [0,1,0,1,0,0|1,0,1]=4 24031 B13R1.1887 CCCCCOC1CCCCCC1 34a_100000210887_100000718602 [0,1,0,1,0,0|1,0,1]=4 24032 B13R1.1887 CCCCCOC1CCCCCC1 7a_100000210887_100000210326 [0,1,0,1,0,0|1,0,1]=4 24033 B13R1.1887 CCCCCSC1CCCCCC1 62a_100000210326_100011217769 [0,1,0,1,0,0|1,0,1]=4 24034 B13R1.1887 CCCCCSC1CCCCCC1 62a_100011217769_100000210326 [0,1,0,1,0,0|1,0,1]=4 24035 B13R1.1887 CCCCNCC1CCCCCC1 2230a_100000102301_200000696569 [0,1,0,1,0,0|1,0,1]=4 24036 B13R1.1887 CCCCNCC1CCCCCC1 2230a_100015204231_100000210211 [0,1,0,1,0,0|1,0,1]=4 24037 B13R1.1887 CCCCNCC1CCCCCC1 269862a_100000102301_200000763224 [0,1,0,1,0,0|1,0,1]=4 24038 B13R1.1887 CCCCNCC1CCCCCC1 34a_100015204231_100000210210 [0,1,0,1,0,0|1,0,1]=4 24039 B13R1.1887 CCCCNCC1CCCCCC1 7a_106832991798_200000696569 [0,1,0,1,0,0|1,0,1]=4 24040 B13R1.1887 CCCCOCC1CCCCCC1 34a_100000210227_200000696569 [0,1,0,1,0,0|1,0,1]=4 24041 B13R1.1887 CCCCOCC1CCCCCC1 34a_100000699130_100000210210 [0,1,0,1,0,0|1,0,1]=4 24042 B13R1.1887 CCCCOCC1CCCCCC1 7a_100000210227_200000696569 [0,1,0,1,0,0|1,0,1]=4 24043 B13R1.1887 CCCCOCC1CCCCCC1 7a_100000699130_100000210211 [0,1,0,1,0,0|1,0,1]=4 24044 B13R1.1887 CCCCSCC1CCCCCC1 62a_100000210211_200000696569 [0,1,0,1,0,0|1,0,1]=4 24045 B13R1.1887 CCCCSCC1CCCCCC1 62a_200000696569_100000210210 [0,1,0,1,0,0|1,0,1]=4 24046 B13R1.1887 CCCNCCC1CCCCCC1 2230a_100011532351_100000210303 [0,1,0,1,0,0|1,0,1]=4 24047 B13R1.1887 CCCNCCC1CCCCCC1 34a_100011532351_100000210303 [0,1,0,1,0,0|1,0,1]=4 24048 B13R1.1887 CNCCCOC1CCCCCC1 34a_100000213112_100011217769 [0,1,0,1,0,0|2,0,0]=4 24049 B13R1.1887 COCCCCN1CCCCCC1 2230a_100000185865_100000730899 [0,1,0,1,0,0|2,0,0]=4 24050 B13R1.1887 COCCCCN1CCCCCC1 269982a_100000185865_100000730899 [0,1,0,1,0,0|2,0,0]=4 24051 B13R1.1887 COCCCCN1CCCCCC1 34a_100000185865_100000755781 [0,1,0,1,0,0|2,0,0]=4 24052 B13R1.1887 COCCCCN1CCCCCC1 34a_100011305542_200000210301 [0,1,0,1,0,0|2,0,0]=4 24053 B13R1.1887 COCCCNC1CCCCCC1 2230a_100000210984_100000740836 [0,1,0,1,0,0|2,0,0]=4 24054 B13R1.1887 COCCCNC1CCCCCC1 270004a_100150723488_100000210131 [0,1,0,1,0,0|2,0,0]=4 24055 B13R1.1887 COCCCNC1CCCCCC1 34a_100000210984_100000740836 [0,1,0,1,0,0|2,0,0]=4 24056 B13R1.1887 COCCCNC1CCCCCC1 34a_100150723488_100011217769 [0,1,0,1,0,0|2,0,0]=4 24057 B13R1.1887 COCCCOC1CCCCCC1 34a_100000210887_100000740836 [0,1,0,1,0,0|2,0,0]=4 24058 B13R1.1887 COCCCOC1CCCCCC1 34a_100000740835_100011217769 [0,1,0,1,0,0|2,0,0]=4 24059 B13R1.1887 COCCCOC1CCCCCC1 7a_100000210887_100000740836 [0,1,0,1,0,0|2,0,0]=4 24060 B13R1.1887 COCCCSC1CCCCCC1 62a_100000709357_100011217769 [0,1,0,1,0,0|2,0,0]=4 24061 B13R1.1887 COCCCSC1CCCCCC1 62a_100011217769_100000709357 [0,1,0,1,0,0|2,0,0]=4 24062 B13R1.1887 COCCNCC1CCCCCC1 2230a_100000209980_200000696569 [0,1,0,1,0,0|2,0,0]=4 24063 B13R1.1887 COCCNCC1CCCCCC1 2230a_100015204231_100011201679 [0,1,0,1,0,0|2,0,0]=4 24064 B13R1.1887 COCCNCC1CCCCCC1 269862a_100000209980_200000763224 [0,1,0,1,0,0|2,0,0]=4 24065 B13R1.1887 COCCNCC1CCCCCC1 34a_100015204231_100011201679 [0,1,0,1,0,0|2,0,0]=4 24066 B13R1.1887 COCCOCC1CCCCCC1 34a_100000210237_200000696569 [0,1,0,1,0,0|2,0,0]=4 24067 B13R1.1887 COCCOCC1CCCCCC1 34a_100000699130_100011201679 [0,1,0,1,0,0|2,0,0]=4 24068 B13R1.1887 COCCOCC1CCCCCC1 7a_100000699130_100000233755 [0,1,0,1,0,0|2,0,0]=4 24069 B13R1.1887 COCCSCC1CCCCCC1 62a_100000233755_200000696569 [0,1,0,1,0,0|2,0,0]=4 24070 B13R1.1887 COCCSCC1CCCCCC1 62a_200000696569_100000233755 [0,1,0,1,0,0|2,0,0]=4 24071 B13R1.1887 COCNCCC1CCCCCC1 2230a_100011532351_100000766300 [0,1,0,1,0,0|2,0,0]=4 24072 B13R1.1887 CSCCCNC1CCCCCC1 270004a_100000749238_100000210131 [0,1,0,1,0,0|2,0,0]=4 24073 B13R1.1887 CSCCCOC1CCCCCC1 34a_100000690336_100011217769 [0,1,0,1,0,0|2,0,0]=4 24074 B13R1.1887 CSCCNCC1CCCCCC1 2230a_100015204231_100000751147 [0,1,0,1,0,0|2,0,0]=4 24075 B13R1.1887 CSCCNCC1CCCCCC1 2230a_100020590264_200000696569 [0,1,0,1,0,0|2,0,0]=4 24076 B13R1.1887 CSCCNCC1CCCCCC1 269862a_100020590264_200000763224 [0,1,0,1,0,0|2,0,0]=4 24077 B13R1.1887 CSCCNCC1CCCCCC1 34a_100015204231_100000212216 [0,1,0,1,0,0|2,0,0]=4 24078 B13R1.1887 CSCCOCC1CCCCCC1 34a_100000230434_200000696569 [0,1,0,1,0,0|2,0,0]=4 24079 B13R1.1887 CSCCOCC1CCCCCC1 34a_100000699130_100000212216 [0,1,0,1,0,0|2,0,0]=4 24080 B13R1.1887 CSCCOCC1CCCCCC1 7a_100000230434_200000696569 [0,1,0,1,0,0|2,0,0]=4 24081 B13R1.1887 CSCCOCC1CCCCCC1 7a_100000699130_100000212216 [0,1,0,1,0,0|2,0,0]=4 24082 B13R1.1887 CSCCSCC1CCCCCC1 62a_100000212216_200000696569 [0,1,0,1,0,0|2,0,0]=4 24083 B13R1.1887 CSCCSCC1CCCCCC1 62a_200000696569_100000751147 [0,1,0,1,0,0|2,0,0]=4 24084 B13R1.1887 CSCNCCC1CCCCCC1 2230a_100011532351_100011218213 [0,1,0,1,0,0|2,0,0]=4 24085 B13R1.1887 CSCNCCC1CCCCCC1 34a_100011532351_100011218213 [0,1,0,1,0,0|2,0,0]=4 24086 B13R1.1887 ClCCCCOC1CCCCCC1 34a_100000210776_100011217769 [0,1,0,1,0,0|1,0,1]=4 24087 B13R1.1887 ClCCCOCC1CCCCCC1 34a_100000230001_200000696569 [0,1,0,1,0,0|1,0,1]=4 24088 B13R1.1887 FCCCCCN1CCCCCC1 2230a_100000185865_100000729378 [0,1,0,1,0,0|1,0,1]=4 24089 B13R1.1887 FCCCCCN1CCCCCC1 269982a_100000185865_100000729378 [0,1,0,1,0,0|1,0,1]=4 24090 B13R1.1887 FCCCCCN1CCCCCC1 34a_100000185865_100000729378 [0,1,0,1,0,0|1,0,1]=4 24091 B13R1.1887 FCCCCNC1CCCCCC1 2230a_100000210984_100000729493 [0,1,0,1,0,0|1,0,1]=4 24092 B13R1.1887 FCCCCNC1CCCCCC1 34a_100000210984_100000729493 [0,1,0,1,0,0|1,0,1]=4 24093 B13R1.1887 FCCCCOC1CCCCCC1 34a_100000210887_100000729493 [0,1,0,1,0,0|1,0,1]=4 24094 B13R1.1887 FCCCCOC1CCCCCC1 34a_100011995726_100011217769 [0,1,0,1,0,0|1,0,1]=4 24095 B13R1.1887 FCCCCOC1CCCCCC1 7a_100000210887_100000729493 [0,1,0,1,0,0|1,0,1]=4 24096 B13R1.1887 FCCCCSC1CCCCCC1 62a_100000729493_100011217769 [0,1,0,1,0,0|1,0,1]=4 24097 B13R1.1887 FCCCCSC1CCCCCC1 62a_100011217769_100000729493 [0,1,0,1,0,0|1,0,1]=4 24098 B13R1.1887 FCCCNCC1CCCCCC1 2230a_100015189416_200000696569 [0,1,0,1,0,0|1,0,1]=4 24099 B13R1.1887 FCCCNCC1CCCCCC1 2230a_100015204231_100011934791 [0,1,0,1,0,0|1,0,1]=4 24100 B13R1.1887 FCCCNCC1CCCCCC1 269862a_100015189416_200000763224 [0,1,0,1,0,0|1,0,1]=4 24101 B13R1.1887 FCCCNCC1CCCCCC1 34a_100015189416_200000696569 [0,1,0,1,0,0|1,0,1]=4 24102 B13R1.1887 FCCCNCC1CCCCCC1 34a_100015204231_100011934791 [0,1,0,1,0,0|1,0,1]=4 24103 B13R1.1887 FCCCOCC1CCCCCC1 34a_100000699130_100011934791 [0,1,0,1,0,0|1,0,1]=4 24104 B13R1.1887 FCCCOCC1CCCCCC1 34a_100000759539_200000696569 [0,1,0,1,0,0|1,0,1]=4 24105 B13R1.1887 FCCCOCC1CCCCCC1 7a_100000699130_100011934791 [0,1,0,1,0,0|1,0,1]=4 24106 B13R1.1887 FCCCSCC1CCCCCC1 62a_100011934791_200000696569 [0,1,0,1,0,0|1,0,1]=4 24107 B13R1.1887 FCCCSCC1CCCCCC1 62a_200000696569_100011934791 [0,1,0,1,0,0|1,0,1]=4 24108 B13R1.1887 FCCNCCC1CCCCCC1 2230a_100011532351_100011217306 [0,1,0,1,0,0|1,0,1]=4 24109 B13R1.1887 FCCNCCC1CCCCCC1 34a_100011532351_100011217306 [0,1,0,1,0,0|1,0,1]=4 24110 B13R1.1887 ICCCCOC1CCCCCC1 34a_200012148704_100011217769 [0,1,0,1,0,0|1,0,1]=4 24111 B13R1.1887 N#CCCCCN1CCCCCC1 2230a_100000185865_100000211819 [0,1,0,1,0,0|1,0,1]=4 24112 B13R1.1887 N#CCCCCN1CCCCCC1 269982a_100000185865_100011219923 [0,1,0,1,0,0|1,0,1]=4 24113 B13R1.1887 N#CCCCNC1CCCCCC1 2230a_100000210984_100000687738 [0,1,0,1,0,0|1,0,1]=4 24114 B13R1.1887 N#CCCCOC1CCCCCC1 7a_100000210887_100000687738 [0,1,0,1,0,0|1,0,1]=4 24115 B13R1.1887 N#CCCCSC1CCCCCC1 62a_100000687738_100011217769 [0,1,0,1,0,0|1,0,1]=4 24116 B13R1.1887 N#CCCCSC1CCCCCC1 62a_100011217769_100000687738 [0,1,0,1,0,0|1,0,1]=4 24117 B13R1.1887 N#CCCNCC1CCCCCC1 2230a_100015204231_100011215226 [0,1,0,1,0,0|1,0,1]=4 24118 B13R1.1887 N#CCCOCC1CCCCCC1 7a_100000699130_100000184422 [0,1,0,1,0,0|1,0,1]=4 24119 B13R1.1887 N#CCCSCC1CCCCCC1 62a_100011215226_200000696569 [0,1,0,1,0,0|1,0,1]=4 24120 B13R1.1887 N#CCCSCC1CCCCCC1 62a_200000696569_100011215226 [0,1,0,1,0,0|1,0,1]=4 24121 B13R1.1887 N#CCNCCC1CCCCCC1 2230a_100011532351_100011215382 [0,1,0,1,0,0|1,0,1]=4 24122 B13R1.1887 NCCCCOC1CCCCCC1 34a_100000750430_100011217769 [0,1,0,1,0,0|1,0,1]=4 24123 B13R1.1887 NCCCOCC1CCCCCC1 34a_100000182051_200000696569 [0,1,0,1,0,0|1,0,1]=4 24124 B13R1.1887 NOCCOCC1CCCCCC1 34a_100000700252_200000696569 [0,1,0,1,0,0|2,0,0]=4 24125 B13R1.1887 O=CCCCCN1CCCCCC1 2230a_100000185865_100000139335 [0,1,0,1,0,0|0,0,0]=2 24126 B13R1.1887 O=CCCCCN1CCCCCC1 269982a_100000185865_100000139335 [0,1,0,1,0,0|0,0,0]=2 24127 B13R1.1887 O=CCCCCN1CCCOCC1 2230a_100000685342_100000139335 [0,1,0,1,0,0|1,0,0]=3 24128 B13R1.1887 O=CCCCCN1CCCOCC1 269982a_100000685342_100000139335 [0,1,0,1,0,0|1,0,0]=3 24129 B13R1.1887 O=CCCCNC1CCCCCC1 2230a_100000210984_200011292268 [0,1,0,1,0,0|0,0,0]=2 24130 B13R1.1887 O=CCCCOC1CCCCCC1 7a_100000210887_200011292268 [0,1,0,1,0,0|0,0,0]=2 24131 B13R1.1887 O=CCCCSC1CCCCCC1 62a_100011217769_200011292268 [0,1,0,1,0,0|0,0,0]=2 24132 B13R1.1887 O=CCCCSC1CCCCCC1 62a_200011292268_100011217769 [0,1,0,1,0,0|0,0,0]=2 24133 B13R1.1887 O=CCNCCC1CCCCCC1 2230a_100011532351_200015260668 [0,1,0,1,0,0|0,0,0]=2 24134 B13R1.1887 O=CCNCCC1CCCCCC1 34a_100011532351_200009817547 [0,1,0,1,0,0|0,0,0]=2 24135 B13R1.1887 O=CCOCCN1CCCCCC1 34a_100000238007_200009817547 [0,1,0,1,0,0|1,0,0]=3 24136 B13R1.1887 O=CCSCCN1CCCCCC1 62a_100000722644_200015260668 [0,1,0,1,0,0|1,0,0]=3 24137 B13R1.1887 O=CCSCCN1CCCCCC1 62a_200015260668_100000722644 [0,1,0,1,0,0|1,0,0]=3 24138 B13R1.1887 OCCCCCN1CCCCCC1 2230a_100000185865_100000746330 [0,1,0,1,0,0|0,0,2]=4 24139 B13R1.1887 OCCCCCN1CCCCCC1 269982a_100000185865_100000746330 [0,1,0,1,0,0|0,0,2]=4 24140 B13R1.1887 OCCCCCN1CCCCCC1 34a_100000185865_100000746330 [0,1,0,1,0,0|0,0,2]=4 24141 B13R1.1887 OCCCCNC1CCCCCC1 2230a_100000210984_100000210776 [0,1,0,1,0,0|0,0,2]=4 24142 B13R1.1887 OCCCCNC1CCCCCC1 270004a_100000750430_100000210131 [0,1,0,1,0,0|0,0,2]=4 24143 B13R1.1887 OCCCCNC1CCCCCC1 34a_100000210984_100011216708 [0,1,0,1,0,0|0,0,2]=4 24144 B13R1.1887 OCCCCNC1CCCCCC1 34a_100000750430_100011217769 [0,1,0,1,0,0|0,0,2]=4 24145 B13R1.1887 OCCCCOC1CCCCCC1 34a_100000210887_100011216708 [0,1,0,1,0,0|0,0,2]=4 24146 B13R1.1887 OCCCCOC1CCCCCC1 7a_100000210887_100000210776 [0,1,0,1,0,0|0,0,2]=4 24147 B13R1.1887 OCCCCSC1CCCCCC1 62a_100000210776_100011217769 [0,1,0,1,0,0|0,0,2]=4 24148 B13R1.1887 OCCCCSC1CCCCCC1 62a_100011217769_100000210776 [0,1,0,1,0,0|0,0,2]=4 24149 B13R1.1887 OCCCNCC1CCCCCC1 2230a_100015204231_100000230001 [0,1,0,1,0,0|0,0,2]=4 24150 B13R1.1887 OCCCNCC1CCCCCC1 269862a_100000182051_200000763224 [0,1,0,1,0,0|0,0,2]=4 24151 B13R1.1887 OCCCNCC1CCCCCC1 34a_100015204231_100000230001 [0,1,0,1,0,0|0,0,2]=4 24152 B13R1.1887 OCCCOCC1CCCCCC1 34a_100000699130_100000230001 [0,1,0,1,0,0|0,0,2]=4 24153 B13R1.1887 OCCCOCC1CCCCCC1 7a_100000699130_100011215043 [0,1,0,1,0,0|0,0,2]=4 24154 B13R1.1887 OCCCSCC1CCCCCC1 62a_100011215043_200000696569 [0,1,0,1,0,0|0,0,2]=4 24155 B13R1.1887 OCCCSCC1CCCCCC1 62a_200000696569_100011215043 [0,1,0,1,0,0|0,0,2]=4 24156 B13R1.1887 OCCNCCC1CCCCCC1 2230a_100011532351_100000211926 [0,1,0,1,0,0|0,0,2]=4 24157 B13R1.1887 OCCNCCC1CCCCCC1 34a_100011532351_100000211926 [0,1,0,1,0,0|0,0,2]=4 24158 B13R1.1887 [13CH3]OCCCCN1CCCCCC1 34a_100011305542_200025704644 [0,1,0,1,0,0|2,0,0]=4 24159 B13R1.24 C=CCCCC(=O)C1CCCCC1 1458a_100000210647_100000757094 [0,1,0,1,0,0|1,0,1]=4 24160 B13R1.24 C=CCCCC(=O)C1CCCCC1 1458a_100000766728_100000210327 [0,1,0,1,0,0|1,0,1]=4 24161 B13R1.24 C=CCCCN(C)C1CCCCC1 2230a_100000207522_100011713584 [0,1,0,1,0,0|2,0,0]=4 24162 B13R1.24 C=CCCCN(C)C1CCCCC1 269982a_100000207522_100000757094 [0,1,0,1,0,0|2,0,0]=4 24163 B13R1.24 C=CCCCN(C)C1CCCCC1 34a_100000207522_100000757094 [0,1,0,1,0,0|2,0,0]=4 24164 B13R1.24 C=CCCNC(C)C1CCCCC1 269862a_100015191253_100000210989 [0,1,0,1,0,0|2,0,0]=4 24165 B13R1.24 C=CCCN[C@H](C)C1CCCCC1 2230a_100025707633_100000754431 [0,1,0,1,0,0|2,0,0]=4 24166 B13R1.24 C=CCCN[C@H](C)C1CCCCC1 34a_100025707633_100000754431 [0,1,0,1,0,0|2,0,0]=4 24167 B13R1.24 C=CCCOC(C)C1CCCCC1 34a_100011216961_100000754431 [0,1,0,1,0,0|2,0,0]=4 24168 B13R1.24 C=CCCOC(C)C1CCCCC1 7a_100011216961_100000754431 [0,1,0,1,0,0|2,0,0]=4 24169 B13R1.24 C=CCOC[C@H](N)C1CCCCC1 34a_100009817630_100015514636 [0,1,0,1,0,0|2,0,0]=4 24170 B13R1.24 CCCCCC(=O)C1C=CCCC1 1458a_100000212188_100000751183 [0,1,0,1,0,0|1,0,1]=4 24171 B13R1.24 CCCCCN(C)C1C=CCCC1 2230a_100000223495_100000751183 [0,1,0,1,0,0|2,0,0]=4 24172 B13R1.24 CCCCCN(C)C1C=CCCC1 269982a_100000223495_100000751183 [0,1,0,1,0,0|2,0,0]=4 24173 B13R1.24 CN(CCCC=O)C1CCCCC1 2230a_100000207522_200011292268 [0,1,0,1,0,0|1,0,0]=3 24174 B13R1.24 CN(CCCC=O)C1CCCCC1 269982a_100000207522_200011292268 [0,1,0,1,0,0|1,0,0]=3 24175 B13R1.24 CN(CCCC=O)C1CCOCC1 2230a_100020587155_200011292268 [0,1,0,1,0,0|2,0,0]=4 24176 B13R1.24 CN(CCCC=O)C1CCOCC1 269982a_100020587155_200011292268 [0,1,0,1,0,0|2,0,0]=4 24177 B13R1.24 CN(CCCC=O)C1CCSCC1 2230a_100015184757_200011292268 [0,1,0,1,0,0|2,0,0]=4 24178 B13R1.24 CN(CCCC=O)C1CCSCC1 269982a_100015184757_200011292268 [0,1,0,1,0,0|2,0,0]=4 24179 B13R1.24 N[C@@H](COCC=O)C1CCCCC1 34a_100009817630_200009817547 [0,1,0,1,0,0|1,0,0]=3 24180 B13R1.24 O=CCSCC(=O)C1CCCCC1 62a_100000241979_200015260668 [0,1,0,1,0,0|1,0,1]=4 24181 B13R1.24 O=CCSCC(=O)C1CCCCC1 62a_200015260668_100000241979 [0,1,0,1,0,0|1,0,1]=4 24182 B13R1.48 C=CCCCCC(=O)C1CCCC1 1458a_100000210718_100011215482 [0,1,0,1,0,0|1,0,1]=4 24183 B13R1.48 C=CCCCCC(=O)C1CCCC1 1458a_100011215552_100000179811 [0,1,0,1,0,0|1,0,1]=4 24184 B13R1.48 C=CCCCCN(C)C1CCCC1 2230a_100000207505_100011215482 [0,1,0,1,0,0|2,0,0]=4 24185 B13R1.48 C=CCCCCN(C)C1CCCC1 2230a_100012000471_100000179811 [0,1,0,1,0,0|2,0,0]=4 24186 B13R1.48 C=CCCCCN(C)C1CCCC1 269982a_100000207505_100011215482 [0,1,0,1,0,0|2,0,0]=4 24187 B13R1.48 C=CCCCCN(C)C1CCCC1 269982a_100012000471_100000179811 [0,1,0,1,0,0|2,0,0]=4 24188 B13R1.48 C=CCCCCN(C)C1CCCC1 270004a_100012000471_100000210133 [0,1,0,1,0,0|2,0,0]=4 24189 B13R1.48 C=CCCCCN(C)C1CCCC1 34a_100000207505_100011215482 [0,1,0,1,0,0|2,0,0]=4 24190 B13R1.48 C=CCCCNC(C)C1CCCC1 2230a_100015185923_100011713584 [0,1,0,1,0,0|2,0,0]=4 24191 B13R1.48 C=CCCCNC(C)C1CCCC1 269862a_100000700776_100000749594 [0,1,0,1,0,0|2,0,0]=4 24192 B13R1.48 C=CCCCNC(C)C1CCCC1 270004a_100000700776_100000749594 [0,1,0,1,0,0|2,0,0]=4 24193 B13R1.48 C=CCCCNC(C)C1CCCC1 34a_100015185923_100000757094 [0,1,0,1,0,0|2,0,0]=4 24194 B13R1.48 C=CCCCOC(C)C1CCCC1 34a_100011216366_100000757094 [0,1,0,1,0,0|2,0,0]=4 24195 B13R1.48 C=CCCCOC(C)C1CCCC1 7a_100011216366_100000757094 [0,1,0,1,0,0|2,0,0]=4 24196 B13R1.48 CC(CCOCC=O)N1CCCC1 34a_100011935070_200009817547 [0,1,0,1,0,0|2,0,0]=4 24197 B13R1.48 CC(CCOCC=O)N1CCCC1 7a_100011935070_200015260668 [0,1,0,1,0,0|2,0,0]=4 24198 B13R1.48 CC(NCCCC=O)C1CCCC1 2230a_100015185923_200011292268 [0,1,0,1,0,0|1,0,0]=3 24199 B13R1.48 CC(NCCCC=O)C1CCCO1 2230a_100025754208_200011292268 [0,1,0,1,0,0|2,0,0]=4 24200 B13R1.48 CC(OCCCC=O)C1CCCC1 7a_100011216366_200011292268 [0,1,0,1,0,0|1,0,0]=3 24201 B13R1.48 CN(CCCCC=O)C1CCCC1 2230a_100000207505_100000139335 [0,1,0,1,0,0|1,0,0]=3 24202 B13R1.48 CN(CCCCC=O)C1CCCC1 269982a_100000207505_100000139335 [0,1,0,1,0,0|1,0,0]=3 24203 B13R1.48 CN(CCCCC=O)C1CCOC1 2230a_100016988252_100000139335 [0,1,0,1,0,0|2,0,0]=4 24204 B13R1.48 CN(CCCCC=O)C1CCOC1 269982a_100016988252_100000139335 [0,1,0,1,0,0|2,0,0]=4 24205 B13R1.156 C=CCCCC(=O)CC1CCCC1 1458a_100000210891_100000757094 [0,1,0,1,0,0|1,0,1]=4 24206 B13R1.156 C=CCCCC(=O)CC1CCCC1 1458a_100000766728_100000740388 [0,1,0,1,0,0|1,0,1]=4 24207 B13R1.156 C=CCCNC(C)CC1CCCC1 270004a_100015191253_100000692464 [0,1,0,1,0,0|2,0,0]=4 24208 B13R1.156 CC(COCC=O)CN1CCCC1 7a_200011934648_200015260668 [0,1,0,1,0,0|2,0,0]=4 24209 B13R1.156 CCCCCC(=O)CC1C=CCC1 1458a_100000212241_100000210326 [0,1,0,1,0,0|1,0,1]=4 24210 B13R1.156 CCCCNC(C)CC1C=CCC1 270004a_100000102301_100000116859 [0,1,0,1,0,0|2,0,0]=4 24211 B13R1.156 CN(CCCC=O)CC1CCCO1 2230a_100102946541_200011292268 [0,1,0,1,0,0|2,0,0]=4 24212 B13R1.156 CN(CCCC=O)CC1CCCO1 269982a_100102946541_200011292268 [0,1,0,1,0,0|2,0,0]=4 24213 B13R1.156 CN(CCCC=O)CC1CCOC1 2230a_100000684583_200011292268 [0,1,0,1,0,0|2,0,0]=4 24214 B13R1.156 CN(CCCC=O)CC1CCOC1 269982a_100000684583_200011292268 [0,1,0,1,0,0|2,0,0]=4 24215 B13R1.189 C=CCCCNC1CCC(C1)CC 270004a_100000700776_100011218773 [0,1,0,1,0,0|2,0,0]=4 24216 B13R1.189 CCN1CCC(C1)NCCCC=O 2230a_100015188829_200011292268 [0,1,0,1,0,0|2,0,0]=4 24217 B13R1.189 CCN1CCC(C1)SCCCC=O 62a_200011292268_200011861547 [0,1,0,1,0,0|2,0,0]=4 24218 B13R1.189 CO[C@@H]1CCN(C1)CCCCC=O 2230a_100000766984_100000139335 [0,1,0,1,0,0|2,0,0]=4 24219 B13R1.189 CO[C@@H]1CCN(C1)CCCCC=O 269982a_100000766984_100000139335 [0,1,0,1,0,0|2,0,0]=4 24220 B13R1.189 O=CCCCCN1CCC(C1)CO 2230a_100000748654_100000139335 [0,1,0,1,0,0|2,0,0]=4 24221 B13R1.189 O=CCCCCN1CCC(C1)CO 269982a_100000748654_100000139335 [0,1,0,1,0,0|2,0,0]=4 24222 B13R1.666 C=CCCNC1CCCC(C1)CC 270004a_100015191253_100000756783 [0,1,0,1,0,0|2,0,0]=4 24223 B13R1.666 C=CCCOC1CCCC(C1)CC 7a_100011985506_100000754431 [0,1,0,1,0,0|2,0,0]=4 24224 B13R1.666 CCC1CN(CCO1)CCCC=O 2230a_100000736320_200011292268 [0,1,0,1,0,0|2,0,0]=4 24225 B13R1.666 CCC1CN(CCO1)CCCC=O 269982a_100000736320_200011292268 [0,1,0,1,0,0|2,0,0]=4 24226 B13R1.666 CCN1CCCC(C1)CNCC=O 2230a_100000747413_200015260668 [0,1,0,1,0,0|2,0,0]=4 24227 B13R1.666 CCN1CCCC(C1)COCC=O 7a_200000227639_200015260668 [0,1,0,1,0,0|2,0,0]=4 24228 B13R1.666 COC1CCCN(C1)CCCC=O 2230a_100000695604_200011292268 [0,1,0,1,0,0|2,0,0]=4 24229 B13R1.666 COC1CCCN(C1)CCCC=O 269982a_100000695604_200011292268 [0,1,0,1,0,0|2,0,0]=4 24230 B13R1.666 O=CCCCN1CCCC(C1)CF 2230a_100016992999_200011292268 [0,1,0,1,0,0|2,0,0]=4 24231 B13R1.666 O=CCCCN1CCCC(C1)CF 269982a_100016992999_200011292268 [0,1,0,1,0,0|2,0,0]=4 24232 B13R1.666 O=CCCCN1CCCC(C1)CO 2230a_100000211344_200011292268 [0,1,0,1,0,0|2,0,0]=4 24233 B13R1.666 O=CCCCN1CCCC(C1)CO 269982a_100000211344_200011292268 [0,1,0,1,0,0|2,0,0]=4 24234 B13R1.725 C=CCCCC(=O)C1CCCC1C 1458a_100000690547_100000757094 [0,1,0,1,0,0|1,0,1]=4 24235 B13R1.725 CCCCCC(=O)C1CCCC1=O 1458a_100000212188_100000211823 [0,1,0,1,0,0|0,0,1]=3 24236 B13R1.725 CCCCCC(=O)C1CCOC1=O 1458a_100000212188_100000211211 [0,1,0,1,0,0|1,0,1]=4 24237 B13R1.725 CCCCCN(C)C1CCCC1=O 2230a_100000223495_100000211823 [0,1,0,1,0,0|1,0,0]=3 24238 B13R1.725 CCCCCN(C)C1CCCC1=O 269982a_100000223495_100000211823 [0,1,0,1,0,0|1,0,0]=3 24239 B13R1.725 CCCCCN(C)C1CCOC1=O 2230a_100000223495_100000211211 [0,1,0,1,0,0|2,0,0]=4 24240 B13R1.725 CCCCCN(C)C1CCOC1=O 269982a_100000223495_100000211211 [0,1,0,1,0,0|2,0,0]=4 24241 B13R1.725 CCCOCC(=O)C1CCCC1=O 1458a_100000745993_100000211823 [0,1,0,1,0,0|1,0,1]=4 24242 B13R1.725 CCCSCC(=O)C1CCCC1=O 1458a_100000217233_100000211823 [0,1,0,1,0,0|1,0,1]=4 24243 B13R1.725 CCOCCC(=O)C1CCCC1=O 1458a_100000749530_100000211823 [0,1,0,1,0,0|1,0,1]=4 24244 B13R1.725 CCSCCC(=O)C1CCCC1=O 1458a_100000230768_100000211823 [0,1,0,1,0,0|1,0,1]=4 24245 B13R1.725 CN(CCCCO)C1CCCC1=O 2230a_100000717598_100000211823 [0,1,0,1,0,0|2,0,0]=4 24246 B13R1.725 CN(CCCCO)C1CCCC1=O 269982a_100000717598_100000211823 [0,1,0,1,0,0|2,0,0]=4 24247 B13R1.725 COCCCC(=O)C1CCCC1=O 1458a_100000741012_100000211823 [0,1,0,1,0,0|1,0,1]=4 24248 B13R1.725 COCCCN(C)C1CCCC1=O 2230a_100000224831_100000211823 [0,1,0,1,0,0|2,0,0]=4 24249 B13R1.725 COCCCN(C)C1CCCC1=O 269982a_100000224831_100000211823 [0,1,0,1,0,0|2,0,0]=4 24250 B13R1.725 CSCCCC(=O)C1CCCC1=O 1458a_100000173376_100000211823 [0,1,0,1,0,0|1,0,1]=4 24251 B13R1.725 O=C(CCCCO)C1CCCC1=O 1458a_100000695505_100000211823 [0,1,0,1,0,0|1,0,1]=4 24252 B13R1.1148 C=CCCCN1CCCCC(C1)O 2230a_100025706797_100011713584 [0,1,0,1,0,0|2,0,0]=4 24253 B13R1.1148 C=CCCCN1CCCCC(C1)O 269982a_100025706797_100000757094 [0,1,0,1,0,0|2,0,0]=4 24254 B13R1.1148 CCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210326 [0,1,0,1,0,0|2,0,0]=4 24255 B13R1.1148 O=CCCCN1CCCCC(C1)O 2230a_100025706797_200011292268 [0,1,0,1,0,0|1,0,0]=3 24256 B13R1.1148 O=CCCCN1CCCCC(C1)O 269982a_100025706797_200011292268 [0,1,0,1,0,0|1,0,0]=3 24257 B13R1.1148 O=CCCCN1CCOC[C@@H](C1)O 2230a_100016073750_200011292268 [0,1,0,1,0,0|2,0,0]=4 24258 B13R1.1148 O=CCCCN1CCOC[C@@H](C1)O 269982a_100016073750_200011292268 [0,1,0,1,0,0|2,0,0]=4 24259 B13R1.1156 CCCOC1CN(C1)CCCC=O 269982a_200020626125_200011292268 [0,1,0,1,0,0|2,0,0]=4 24260 B13R1.2465 C=CCCNC1(CCCCCC1)C 2230a_100000704638_100000754431 [0,1,0,1,0,0|2,0,0]=4 24261 B13R1.2465 C=CCCNC1(CCCCCC1)C 34a_100000704638_100000754431 [0,1,0,1,0,0|2,0,0]=4 24262 B13R1.2465 C=CCCOC1(CCCCCC1)C 34a_100000708895_100000754431 [0,1,0,1,0,0|2,0,0]=4 24263 B13R1.2465 C=CCCOC1(CCCCCC1)C 7a_100000708895_100000754431 [0,1,0,1,0,0|2,0,0]=4 24264 B13R1.2914 C=CCCCCC(=O)C1CC1CC 1458a_200011661523_100011215482 [0,1,0,1,0,0|1,0,1]=4 24265 B13R1.2916 C=CCCCCC(=O)CC1CCC1 1458a_100000763092_100011215482 [0,1,0,1,0,0|1,0,1]=4 24266 B13R1.2916 C=CCCCCC(=O)CC1CCC1 1458a_100011215552_100000763275 [0,1,0,1,0,0|1,0,1]=4 24267 B13R1.2916 C=CCCCCN(C)CC1CCC1 2230a_100012000471_100000763275 [0,1,0,1,0,0|2,0,0]=4 24268 B13R1.2916 C=CCCCCN(C)CC1CCC1 2230a_200000750244_100011215482 [0,1,0,1,0,0|2,0,0]=4 24269 B13R1.2916 C=CCCCCN(C)CC1CCC1 269982a_100012000471_100000763275 [0,1,0,1,0,0|2,0,0]=4 24270 B13R1.2916 C=CCCCCN(C)CC1CCC1 269982a_200000750244_100011215482 [0,1,0,1,0,0|2,0,0]=4 24271 B13R1.2916 C=CCCCCN(C)CC1CCC1 34a_200000750244_100011215482 [0,1,0,1,0,0|2,0,0]=4 24272 B13R1.2916 CN(CCCCC=O)CC1CCC1 2230a_200000750244_100000139335 [0,1,0,1,0,0|1,0,0]=3 24273 B13R1.2916 CN(CCCCC=O)CC1CCC1 269982a_200000750244_100000139335 [0,1,0,1,0,0|1,0,0]=3 24274 B13R1.2917 C=CCCCCC(=O)CCC1CC1 1458a_100000756386_100011215482 [0,1,0,1,0,0|1,0,1]=4 24275 B13R1.2917 C=CCCCCC(=O)CCC1CC1 1458a_100011215552_100000694398 [0,1,0,1,0,0|1,0,1]=4 24276 B13R1.2917 C=CCCCCN(C)CCC1CC1 2230a_100012000471_100000694398 [0,1,0,1,0,0|2,0,0]=4 24277 B13R1.2917 C=CCCCCN(C)CCC1CC1 269982a_100012000471_100000694398 [0,1,0,1,0,0|2,0,0]=4 24278 B13R1.2918 CCCCCCC(=O)C1CCC1=O 1458a_100102632555_100009892977 [0,1,0,1,0,0|0,0,1]=3 24279 B13R1.2918 CCCCCCN(C)C1CCC1=O 269982a_106256046315_100009892977 [0,1,0,1,0,0|1,0,0]=3 24280 B13R1.2918 CCCCOCC(=O)C1CCC1=O 1458a_100000757543_100009892977 [0,1,0,1,0,0|1,0,1]=4 24281 B13R1.2918 CCCCSCC(=O)C1CCC1=O 1458a_100000191162_100009892977 [0,1,0,1,0,0|1,0,1]=4 24282 B13R1.2918 CN(CCCCCO)C1CCC1=O 269982a_100000722520_100009892977 [0,1,0,1,0,0|2,0,0]=4 24283 B13R1.2918 O=C(CCCCCO)C1CCC1=O 1458a_100102619762_100009892977 [0,1,0,1,0,0|1,0,1]=4 24284 B13R1.3538 CCCCCC(C)OC1CCC1=O 34a_100011215632_100009892977 [0,1,0,1,0,0|1,0,0]=3 24285 B13R1.3538 CCCCCC(C)OC1CCC1=O 7a_100011215632_100009892977 [0,1,0,1,0,0|1,0,0]=3 24286 B13R1.3538 CCCCCC(C)SC1CCC1=O 62a_100009892977_200011218191 [0,1,0,1,0,0|1,0,0]=3 24287 B13R1.3538 CCCCCC(C)SC1CCC1=O 62a_200011218191_100009892977 [0,1,0,1,0,0|1,0,0]=3 24288 B13R1.3538 COCCCC(C)OC1CCC1=O 34a_200011539412_100009892977 [0,1,0,1,0,0|2,0,0]=4 24289 B13R1.3538 COCCCC(C)OC1CCC1=O 7a_200011539412_100009892977 [0,1,0,1,0,0|2,0,0]=4 24290 B13R1.3674 C=CCCCNC1(CCCCC1)C 2230a_100000741114_100011713584 [0,1,0,1,0,0|2,0,0]=4 24291 B13R1.3674 C=CCCCNC1(CCCCC1)C 34a_100000741114_100000757094 [0,1,0,1,0,0|2,0,0]=4 24292 B13R1.3674 C=CCCCOC1(CCCCC1)C 34a_100011215885_100000757094 [0,1,0,1,0,0|2,0,0]=4 24293 B13R1.3674 C=CCCCOC1(CCCCC1)C 7a_100011215885_100000757094 [0,1,0,1,0,0|2,0,0]=4 24294 B13R1.3674 C=CCCNCC1(CCCCC1)C 2230a_100000706052_100000754431 [0,1,0,1,0,0|2,0,0]=4 24295 B13R1.3674 C=CCCNCC1(CCCCC1)C 269862a_100015191253_100011935227 [0,1,0,1,0,0|2,0,0]=4 24296 B13R1.3674 C=CCCNCC1(CCCCC1)C 34a_100000706052_100000754431 [0,1,0,1,0,0|2,0,0]=4 24297 B13R1.3674 C=CCCNCC1(CCCCC1)O 2230a_100000748649_100000754431 [0,1,0,1,0,0|2,0,0]=4 24298 B13R1.3674 C=CCCNCC1(CCCCC1)O 34a_100000748649_100000754431 [0,1,0,1,0,0|2,0,0]=4 24299 B13R1.3674 C=CCCOCC1(CCCCC1)C 34a_100000688186_100000754431 [0,1,0,1,0,0|2,0,0]=4 24300 B13R1.3674 C=CCCOCC1(CCCCC1)C 7a_100000688186_100000754431 [0,1,0,1,0,0|2,0,0]=4 24301 B13R1.3674 C=CCCOCC1(CCCCC1)F 34a_100000090305_100000754431 [0,1,0,1,0,0|2,0,0]=4 24302 B13R1.3674 C=CCCOCC1(CCCCC1)F 7a_100000090305_100000754431 [0,1,0,1,0,0|2,0,0]=4 24303 B13R1.3674 C=CCCOCC1(CCCCC1)N 34a_100000740034_100000754431 [0,1,0,1,0,0|2,0,0]=4 24304 B13R1.3674 C=CCNCCC1(CCCCC1)O 2230a_100102740465_100000210623 [0,1,0,1,0,0|2,0,0]=4 24305 B13R1.3674 C=CCNCCC1(CCCCC1)O 34a_100102740465_100015514636 [0,1,0,1,0,0|2,0,0]=4 24306 B13R1.3674 CC1(CCCCC1)NCCCC=O 2230a_100000741114_200011292268 [0,1,0,1,0,0|1,0,0]=3 24307 B13R1.3674 CC1(CCCCC1)OCCCC=O 7a_100011215885_200011292268 [0,1,0,1,0,0|1,0,0]=3 24308 B13R1.3674 CC1(CCOCC1)NCCCC=O 2230a_100000692449_200011292268 [0,1,0,1,0,0|2,0,0]=4 24309 B13R1.3674 CC1(CCOCC1)OCCCC=O 7a_100011827762_200011292268 [0,1,0,1,0,0|2,0,0]=4 24310 B13R1.3674 CC1(CCSCC1)OCCCC=O 7a_200011004327_200011292268 [0,1,0,1,0,0|2,0,0]=4 24311 B13R1.3674 O=CCNCCC1(CCCCC1)O 2230a_100102740465_200015260668 [0,1,0,1,0,0|1,0,0]=3 24312 B13R1.3674 O=CCNCCC1(CCCCC1)O 34a_100102740465_200009817547 [0,1,0,1,0,0|1,0,0]=3 24313 B13R1.8919 C=CCCCN1C(CCCC1C)C 2230a_100000210447_100011713584 [0,1,0,1,0,0|2,0,0]=4 24314 B13R1.8919 C=CCCCN1C(CCCC1C)C 269982a_100000210447_100000757094 [0,1,0,1,0,0|2,0,0]=4 24315 B13R1.8919 C=CCCCN1C(CCCC1C)C 34a_100000210447_100000757094 [0,1,0,1,0,0|2,0,0]=4 24316 B13R1.8919 C=CCCNC1C(CCCC1C)C 269862a_100015191253_100000211995 [0,1,0,1,0,0|2,0,0]=4 24317 B13R1.8919 C=CCCOC1C(CCCC1C)C 34a_100011218088_100000754431 [0,1,0,1,0,0|2,0,0]=4 24318 B13R1.8919 C=CCCOC1C(CCCC1C)C 7a_100011218088_100000754431 [0,1,0,1,0,0|2,0,0]=4 24319 B13R1.8919 CC1CCCC(N1CCCC=O)C 2230a_100000210447_200011292268 [0,1,0,1,0,0|1,0,0]=3 24320 B13R1.8919 CC1CCCC(N1CCCC=O)C 269982a_100000210447_200011292268 [0,1,0,1,0,0|1,0,0]=3 24321 B13R1.8919 CCCCNC1C(=O)CCCC1=O 2230a_100000102301_100009814513 [0,1,0,1,0,0|1,0,1]=4 24322 B13R1.8919 CCCCNC1C(=O)CCCC1=O 7a_106832991798_100009814513 [0,1,0,1,0,0|1,0,1]=4 24323 B13R1.8919 CCCCOC1C(=O)CCCC1=O 7a_100000210227_100009814513 [0,1,0,1,0,0|1,0,1]=4 24324 B13R1.8919 CCCCSC1C(=O)CCCC1=O 62a_100000210211_100009814513 [0,1,0,1,0,0|1,0,1]=4 24325 B13R1.8919 CCCCSC1C(=O)CCCC1=O 62a_100009814513_100000210210 [0,1,0,1,0,0|1,0,1]=4 24326 B13R1.8919 C[C@@H]1COC[C@@H](N1CCCC=O)C 2230a_100103153222_200011292268 [0,1,0,1,0,0|2,0,0]=4 24327 B13R1.8919 C[C@@H]1COC[C@@H](N1CCCC=O)C 269982a_100103153222_200011292268 [0,1,0,1,0,0|2,0,0]=4 24328 B13R1.27 C=CCCCCCN1CCC(C1)O 2230a_100011215560_100000700193 [0,1,0,1,0,0|2,0,0]=4 24329 B13R1.27 C=CCCCCCN1CCC(C1)O 269982a_100011215560_100000700193 [0,1,0,1,0,0|2,0,0]=4 24330 B13R1.27 C=CCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000700193 [0,1,0,1,0,0|2,0,0]=4 24331 B13R1.27 C=CCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000700193 [0,1,0,1,0,0|2,0,0]=4 24332 B13R1.27 C=CCCCCCN1CC[C@@H](C1)F 34a_100015203821_100000700193 [0,1,0,1,0,0|2,0,0]=4 24333 B13R1.27 C=CCCCCCN1CC[C@H](C1)C 2230a_100016987628_100000700193 [0,1,0,1,0,0|2,0,0]=4 24334 B13R1.27 C=CCCCCCN1CC[C@H](C1)C 269982a_100016987628_100000700193 [0,1,0,1,0,0|2,0,0]=4 24335 B13R1.27 C=CCCCCCN1CC[C@H](C1)C 34a_100016987628_100000700193 [0,1,0,1,0,0|2,0,0]=4 24336 B13R1.27 C=CCCCCNC1CCC(C1)C 270004a_100000703577_100011215218 [0,1,0,1,0,0|2,0,0]=4 24337 B13R1.27 C=CCCCCNC1CCC(C1)O 270004a_100000703577_100012614533 [0,1,0,1,0,0|2,0,0]=4 24338 B13R1.27 C=CCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100011215482 [0,1,0,1,0,0|2,0,0]=4 24339 B13R1.27 C=CCCCCOC1CCC(C1)C 34a_100000698185_100011215482 [0,1,0,1,0,0|2,0,0]=4 24340 B13R1.27 CCCCCCCN1CNC(=O)C1 2230a_200000708111_100000210681 [0,1,0,1,0,0|2,0,0]=4 24341 B13R1.27 CCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210314 [0,1,0,1,0,0|2,0,0]=4 24342 B13R1.27 CCCCCCOC1CCC(=O)C1 34a_100012614533_100000210314 [0,1,0,1,0,0|1,0,0]=3 24343 B13R1.27 CCCCCCOC1CNC(=O)C1 34a_100000690082_100000210314 [0,1,0,1,0,0|2,0,0]=4 24344 B13R1.27 CCCCCCOC1COC(=O)O1 34a_100000210259_100000032252 [0,1,0,1,0,0|2,0,0]=4 24345 B13R1.27 CCCCCCSC1COC(=O)O1 62a_100000210314_100000032252 [0,1,0,1,0,0|2,0,0]=4 24346 B13R1.27 CCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210326 [0,1,0,1,0,0|2,0,0]=4 24347 B13R1.27 CCCCCNCC1CNC(=O)C1 34a_100016993742_100000718602 [0,1,0,1,0,0|2,0,0]=4 24348 B13R1.27 CCCCCNCC1CNC(=O)O1 2230a_100000209983_100000181169 [0,1,0,1,0,0|2,0,0]=4 24349 B13R1.27 CCCCCNC[C@@H]1CCC(=O)N1 2230a_100000209983_100015189358 [0,1,0,1,0,0|1,0,0]=3 24350 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210326 [0,1,0,1,0,0|1,0,0]=3 24351 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000718602 [0,1,0,1,0,0|1,0,0]=3 24352 B13R1.27 CCCCCNC[C@H]1COC(=O)N1 2230a_100000209983_100015307671 [0,1,0,1,0,0|2,0,0]=4 24353 B13R1.27 CCCCCOCC1CCC(=O)N1 34a_100000737831_100000718602 [0,1,0,1,0,0|1,0,0]=3 24354 B13R1.27 CCCCCOCC1CNC(=O)C1 34a_100016041077_100000718602 [0,1,0,1,0,0|2,0,0]=4 24355 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100000210253_100000181169 [0,1,0,1,0,0|2,0,0]=4 24356 B13R1.27 CCCCCOCC1CNC(=O)O1 34a_100011315639_100000718602 [0,1,0,1,0,0|2,0,0]=4 24357 B13R1.27 CCCCCOCC1CNC(=O)O1 7a_100000210253_100000181169 [0,1,0,1,0,0|2,0,0]=4 24358 B13R1.27 CCCCCOCC1COC(=O)O1 34a_100000210253_100000073702 [0,1,0,1,0,0|2,0,0]=4 24359 B13R1.27 CCCCCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000718602 [0,1,0,1,0,0|2,0,0]=4 24360 B13R1.27 CCCCCOC[C@@H]1CCC(=O)N1 7a_100000210253_100015189358 [0,1,0,1,0,0|1,0,0]=3 24361 B13R1.27 CCCCCOC[C@H]1COC(=O)N1 34a_100000210253_100015307671 [0,1,0,1,0,0|2,0,0]=4 24362 B13R1.27 CCCCCOC[C@H]1COC(=O)N1 7a_100000210253_100015307671 [0,1,0,1,0,0|2,0,0]=4 24363 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000181169_100000210326 [0,1,0,1,0,0|2,0,0]=4 24364 B13R1.27 CCCCCSCC1CNC(=O)O1 62a_100000210326_100000181169 [0,1,0,1,0,0|2,0,0]=4 24365 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000073702_100000210326 [0,1,0,1,0,0|2,0,0]=4 24366 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000210326_100000073702 [0,1,0,1,0,0|2,0,0]=4 24367 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100000210326_100015189358 [0,1,0,1,0,0|1,0,0]=3 24368 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210326 [0,1,0,1,0,0|1,0,0]=3 24369 B13R1.27 CCCCCSC[C@H]1COC(=O)N1 62a_100000210326_100015307671 [0,1,0,1,0,0|2,0,0]=4 24370 B13R1.27 CCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210326 [0,1,0,1,0,0|2,0,0]=4 24371 B13R1.27 CCCCOCOC1CCC(=O)C1 34a_100012614533_100011995733 [0,1,0,1,0,0|2,0,0]=4 24372 B13R1.27 CCCOCCOC1CCC(=O)C1 34a_100012614533_100011215938 [0,1,0,1,0,0|2,0,0]=4 24373 B13R1.27 CCOCCCOC1CCC(=O)C1 34a_100012614533_100012232248 [0,1,0,1,0,0|2,0,0]=4 24374 B13R1.27 CCOCCNC[C@@H]1CCC(=O)N1 2230a_102516460346_100015189358 [0,1,0,1,0,0|2,0,0]=4 24375 B13R1.27 CCOCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011215890 [0,1,0,1,0,0|2,0,0]=4 24376 B13R1.27 CCOCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210147 [0,1,0,1,0,0|2,0,0]=4 24377 B13R1.27 CCOCCOCC1CCC(=O)N1 34a_100000737831_100000210147 [0,1,0,1,0,0|2,0,0]=4 24378 B13R1.27 CCOCCOC[C@@H]1CCC(=O)N1 7a_100000210136_100015189358 [0,1,0,1,0,0|2,0,0]=4 24379 B13R1.27 CCOCCSC[C@@H]1CCC(=O)N1 62a_100000210147_100015189358 [0,1,0,1,0,0|2,0,0]=4 24380 B13R1.27 CCOCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011215890 [0,1,0,1,0,0|2,0,0]=4 24381 B13R1.27 CCSCCNC[C@@H]1CCC(=O)N1 2230a_100000106463_100015189358 [0,1,0,1,0,0|2,0,0]=4 24382 B13R1.27 CCSCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000757381 [0,1,0,1,0,0|2,0,0]=4 24383 B13R1.27 CCSCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000757381 [0,1,0,1,0,0|2,0,0]=4 24384 B13R1.27 CCSCCOCC1CCC(=O)N1 34a_100000737831_100000757381 [0,1,0,1,0,0|2,0,0]=4 24385 B13R1.27 CCSCCOC[C@@H]1CCC(=O)N1 7a_100000212035_100015189358 [0,1,0,1,0,0|2,0,0]=4 24386 B13R1.27 CCSCCSC[C@@H]1CCC(=O)N1 62a_100000757381_100015189358 [0,1,0,1,0,0|2,0,0]=4 24387 B13R1.27 CCSCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000757381 [0,1,0,1,0,0|2,0,0]=4 24388 B13R1.27 CN1CCC(C1)CSCCCC=O 62a_200000690779_200011292268 [0,1,0,1,0,0|2,0,0]=4 24389 B13R1.27 CN1CCC(C1)CSCCCC=O 62a_200011292268_200000690779 [0,1,0,1,0,0|2,0,0]=4 24390 B13R1.27 CN1CCC(C1)SCCCCC=O 62a_100000139335_200012183744 [0,1,0,1,0,0|2,0,0]=4 24391 B13R1.27 COCCCCOC1CCC(=O)C1 34a_100012614533_100000755781 [0,1,0,1,0,0|2,0,0]=4 24392 B13R1.27 COCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000740836 [0,1,0,1,0,0|2,0,0]=4 24393 B13R1.27 COCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000740836 [0,1,0,1,0,0|2,0,0]=4 24394 B13R1.27 COCCCOCC1CCC(=O)N1 34a_100000737831_100000740836 [0,1,0,1,0,0|2,0,0]=4 24395 B13R1.27 COCCCSC[C@@H]1CCC(=O)N1 62a_100000709357_100015189358 [0,1,0,1,0,0|2,0,0]=4 24396 B13R1.27 COCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000709357 [0,1,0,1,0,0|2,0,0]=4 24397 B13R1.27 CSCCCNC[C@@H]1CCC(=O)N1 2230a_100000749238_100015189358 [0,1,0,1,0,0|2,0,0]=4 24398 B13R1.27 CSCCCOC[C@@H]1CCC(=O)N1 7a_100000690336_100015189358 [0,1,0,1,0,0|2,0,0]=4 24399 B13R1.27 C[C@@H]1CCN(C1)CCCCCC=O 2230a_100016987628_100000139337 [0,1,0,1,0,0|1,0,0]=3 24400 B13R1.27 C[C@@H]1CCN(C1)CCCCCC=O 269982a_100016987628_100000139337 [0,1,0,1,0,0|1,0,0]=3 24401 B13R1.27 O=C1CCC(C1)OCCCCCF 34a_100012614533_100000729378 [0,1,0,1,0,0|2,0,0]=4 24402 B13R1.27 O=C1CCC(C1)OCCCCCO 34a_100012614533_100000746330 [0,1,0,1,0,0|2,0,0]=4 24403 B13R1.27 O=C1CCC(N1)COCCCCF 34a_100000737831_100000729493 [0,1,0,1,0,0|2,0,0]=4 24404 B13R1.27 O=C1CCC(N1)COCCCCO 34a_100000737831_100011216708 [0,1,0,1,0,0|2,0,0]=4 24405 B13R1.27 O=C1CC[C@@H](N1)CNCCCCF 2230a_100015423886_100000729493 [0,1,0,1,0,0|2,0,0]=4 24406 B13R1.27 O=C1CC[C@@H](N1)CNCCCCF 34a_100015423886_100000729493 [0,1,0,1,0,0|2,0,0]=4 24407 B13R1.27 O=C1CC[C@@H](N1)CNCCCCO 2230a_100015423886_100000210776 [0,1,0,1,0,0|2,0,0]=4 24408 B13R1.27 O=C1CC[C@@H](N1)CNCCCCO 34a_100015423886_100011216708 [0,1,0,1,0,0|2,0,0]=4 24409 B13R1.27 O=C1CC[C@H](N1)CNCCCCO 2230a_100000750430_100015189358 [0,1,0,1,0,0|2,0,0]=4 24410 B13R1.27 O=C1CC[C@H](N1)COCCCCCl 7a_100000210776_100015189358 [0,1,0,1,0,0|2,0,0]=4 24411 B13R1.27 O=C1CC[C@H](N1)COCCCCF 7a_100011995726_100015189358 [0,1,0,1,0,0|2,0,0]=4 24412 B13R1.27 O=C1CC[C@H](N1)CSCCCCF 62a_100000729493_100015189358 [0,1,0,1,0,0|2,0,0]=4 24413 B13R1.27 O=C1CC[C@H](N1)CSCCCCF 62a_100015189358_100000729493 [0,1,0,1,0,0|2,0,0]=4 24414 B13R1.27 O=C1CC[C@H](N1)CSCCCCO 62a_100000210776_100015189358 [0,1,0,1,0,0|2,0,0]=4 24415 B13R1.27 O=C1CC[C@H](N1)CSCCCCO 62a_100015189358_100000210776 [0,1,0,1,0,0|2,0,0]=4 24416 B13R1.27 O=CCCCCCN1CCC(C1)O 2230a_100011215560_100000139337 [0,1,0,1,0,0|1,0,0]=3 24417 B13R1.27 O=CCCCCCN1CCC(C1)O 269982a_100011215560_100000139337 [0,1,0,1,0,0|1,0,0]=3 24418 B13R1.27 O=CCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000139337 [0,1,0,1,0,0|1,0,0]=3 24419 B13R1.27 O=CCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000139337 [0,1,0,1,0,0|1,0,0]=3 24420 B13R1.27 O=CCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000139335 [0,1,0,1,0,0|1,0,0]=3 24421 B13R1.44 C=CCCC(=O)CC1CCCCC1 1458a_100000211666_100000754431 [0,1,0,1,0,0|1,0,1]=4 24422 B13R1.44 C=CCCC(=O)CC1CCCCC1 1458a_100000749702_100000211423 [0,1,0,1,0,0|1,0,1]=4 24423 B13R1.44 C=CCCC(C)NC1CCCCC1 270004a_100000182618_100000762624 [0,1,0,1,0,0|2,0,0]=4 24424 B13R1.44 C=CCCC(C)OC1CCCCC1 34a_100000765329_100000210327 [0,1,0,1,0,0|2,0,0]=4 24425 B13R1.44 C=CCCC(C)OC1CCCCC1 7a_100000765329_100000210327 [0,1,0,1,0,0|2,0,0]=4 24426 B13R1.44 C=CCCN(C)CC1CCCCC1 2230a_100000736448_100000754431 [0,1,0,1,0,0|2,0,0]=4 24427 B13R1.44 C=CCCN(C)CC1CCCCC1 2230a_100020639649_100000211423 [0,1,0,1,0,0|2,0,0]=4 24428 B13R1.44 C=CCCN(C)CC1CCCCC1 269982a_100000736448_100000754431 [0,1,0,1,0,0|2,0,0]=4 24429 B13R1.44 C=CCCN(C)CC1CCCCC1 269982a_100020639649_100000211423 [0,1,0,1,0,0|2,0,0]=4 24430 B13R1.44 C=CCCN(C)CC1CCCCC1 34a_100000736448_100000754431 [0,1,0,1,0,0|2,0,0]=4 24431 B13R1.44 C=CCNC(C)CC1CCCCC1 270004a_100020586998_100011215996 [0,1,0,1,0,0|2,0,0]=4 24432 B13R1.44 CC(CN1CCCCC1)NCC=O 2230a_100000738326_200015260668 [0,1,0,1,0,0|2,0,0]=4 24433 B13R1.44 CC(CN1CCCCC1)SCC=O 62a_100009831500_200015260668 [0,1,0,1,0,0|2,0,0]=4 24434 B13R1.44 CC(CN1CCCCC1)SCC=O 62a_200015260668_100009831500 [0,1,0,1,0,0|2,0,0]=4 24435 B13R1.44 CCCCC(C)NC1C=CCCC1 2230a_100000126638_100000751183 [0,1,0,1,0,0|2,0,0]=4 24436 B13R1.44 CCCCC(C)OC1C=CCCC1 34a_100011215024_200011215066 [0,1,0,1,0,0|2,0,0]=4 24437 B13R1.44 CCCCC(C)OC1C=CCCC1 7a_100000687866_100000751183 [0,1,0,1,0,0|2,0,0]=4 24438 B13R1.44 CCCCC(C)SC1C=CCCC1 62a_100000751183_200011215066 [0,1,0,1,0,0|2,0,0]=4 24439 B13R1.44 CCCCC(C)SC1C=CCCC1 62a_200011215066_100000751183 [0,1,0,1,0,0|2,0,0]=4 24440 B13R1.153 C=CCCC(=O)CCC1CCCC1 1458a_100000211120_100000754431 [0,1,0,1,0,0|1,0,1]=4 24441 B13R1.153 C=CCCC(=O)CCC1CCCC1 1458a_100000749702_100000760354 [0,1,0,1,0,0|1,0,1]=4 24442 B13R1.153 C=CCCC(C)NCC1CCCC1 270004a_100000737975_100000762624 [0,1,0,1,0,0|2,0,0]=4 24443 B13R1.153 C=CCCC(C)OCC1CCCC1 34a_100000765329_100000740388 [0,1,0,1,0,0|2,0,0]=4 24444 B13R1.153 C=CCCC(C)OCC1CCCC1 7a_100000765329_100000740388 [0,1,0,1,0,0|2,0,0]=4 24445 B13R1.153 C=CCCN(C)CCC1CCCC1 2230a_100020639649_100000760354 [0,1,0,1,0,0|2,0,0]=4 24446 B13R1.153 C=CCCN(C)CCC1CCCC1 269982a_100020639649_100000760354 [0,1,0,1,0,0|2,0,0]=4 24447 B13R1.656 C=CCCNC1CC(CCC1C)C 269862a_100015191253_100000034887 [0,1,0,1,0,0|2,0,0]=4 24448 B13R1.656 C=CCCNC1CC(CCC1C)C 270004a_100015191253_100000034887 [0,1,0,1,0,0|2,0,0]=4 24449 B13R1.656 C=CCCOC1CC(CCC1C)C 34a_100011217446_100000754431 [0,1,0,1,0,0|2,0,0]=4 24450 B13R1.656 C=CCCOC1CC(CCC1C)C 7a_100011217446_100000754431 [0,1,0,1,0,0|2,0,0]=4 24451 B13R1.656 C[C@@H]1CN([C@@H](CO1)C)CCCC=O 2230a_100016991869_200011292268 [0,1,0,1,0,0|2,0,0]=4 24452 B13R1.656 C[C@@H]1CN([C@@H](CO1)C)CCCC=O 269982a_100016991869_200011292268 [0,1,0,1,0,0|2,0,0]=4 24453 B13R1.660 O=CCCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_200011292268 [0,1,0,1,0,0|2,0,0]=4 24454 B13R1.660 O=CCCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_200011292268 [0,1,0,1,0,0|2,0,0]=4 24455 B13R1.660 O=CCCCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_200011292268 [0,1,0,1,0,0|2,0,0]=4 24456 B13R1.660 O=CCCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_200011292268 [0,1,0,1,0,0|2,0,0]=4 24457 B13R1.674 C=CCCC(=O)C1CCCCC1C 1458a_100011215568_100000754431 [0,1,0,1,0,0|1,0,1]=4 24458 B13R1.674 C=CCCC(C)N1CCCCC1C 270004a_100000211376_100000762624 [0,1,0,1,0,0|2,0,0]=4 24459 B13R1.674 C=CCCN(C)C1CCCCC1C 270004a_100020639649_100000210921 [0,1,0,1,0,0|2,0,0]=4 24460 B13R1.674 CCCCC(=O)C1CCCCC1=O 1458a_100000210183_100000204591 [0,1,0,1,0,0|0,0,1]=3 24461 B13R1.674 CCCCC(=O)C1CCCNC1=O 1458a_100000087122_100000210211 [0,1,0,1,0,0|1,0,1]=4 24462 B13R1.674 CCCCC(=O)C1CCCNC1=O 1458a_100000210183_100000687798 [0,1,0,1,0,0|1,0,1]=4 24463 B13R1.674 CCCCC(=O)C1COCCC1=O 1458a_100000210183_100012180262 [0,1,0,1,0,0|1,0,1]=4 24464 B13R1.674 CCCCN(C)C1CCCCC1=O 269982a_100000207549_100000204591 [0,1,0,1,0,0|1,0,0]=3 24465 B13R1.674 CCCCN(C)C1CCCNC1=O 2230a_100000207549_100000687798 [0,1,0,1,0,0|2,0,0]=4 24466 B13R1.674 CCCCN(C)C1CCCNC1=O 269982a_100000207549_100000687798 [0,1,0,1,0,0|2,0,0]=4 24467 B13R1.674 CCOCC(=O)C1CCCCC1=O 1458a_100000211967_100000204591 [0,1,0,1,0,0|1,0,1]=4 24468 B13R1.674 CCSCC(=O)C1CCCCC1=O 1458a_100000230394_100000204591 [0,1,0,1,0,0|1,0,1]=4 24469 B13R1.674 CN(CCCO)C1CCCCC1=O 269982a_100000213112_100000204591 [0,1,0,1,0,0|2,0,0]=4 24470 B13R1.674 COCCC(=O)C1CCCCC1=O 1458a_100000749529_100000204591 [0,1,0,1,0,0|1,0,1]=4 24471 B13R1.674 COCCN(C)C1CCCCC1=O 269982a_100000743101_100000204591 [0,1,0,1,0,0|2,0,0]=4 24472 B13R1.674 CSCCC(=O)C1CCCCC1=O 1458a_100000174002_100000204591 [0,1,0,1,0,0|1,0,1]=4 24473 B13R1.674 CSCCN(C)C1CCCCC1=O 269982a_100000686725_100000204591 [0,1,0,1,0,0|2,0,0]=4 24474 B13R1.677 CCCCC(=O)CCC1CCC1=O 1458a_100000210183_200016118888 [0,1,0,1,0,0|0,0,1]=3 24475 B13R1.677 CCCCC(C)COC1CCC1=O 34a_100011995851_100009892977 [0,1,0,1,0,0|1,0,0]=3 24476 B13R1.677 CCCCC(C)COC1CCC1=O 7a_100011995851_100009892977 [0,1,0,1,0,0|1,0,0]=3 24477 B13R1.677 CCCCN(C)CCC1CCC1=O 2230a_100000207549_200016118888 [0,1,0,1,0,0|1,0,0]=3 24478 B13R1.677 CCCCN(C)CCC1CCC1=O 269982a_100000207549_200016118888 [0,1,0,1,0,0|1,0,0]=3 24479 B13R1.677 CCCC[C@H](N)COC1CCC1=O 34a_100011934283_100009892977 [0,1,0,1,0,0|1,0,0]=3 24480 B13R1.677 CCCOC(C)CNC1CCC1=O 34a_100015185124_100009892977 [0,1,0,1,0,0|2,0,0]=4 24481 B13R1.677 CCOCC(=O)CCC1CCC1=O 1458a_100000211967_200016118888 [0,1,0,1,0,0|1,0,1]=4 24482 B13R1.677 CCOCC(O)CNC1CCC1=O 34a_102515437182_100009892977 [0,1,0,1,0,0|2,0,0]=4 24483 B13R1.677 CCSCC(=O)CCC1CCC1=O 1458a_100000230394_200016118888 [0,1,0,1,0,0|1,0,1]=4 24484 B13R1.677 CN(CCCO)CCC1CCC1=O 2230a_100000213112_200016118888 [0,1,0,1,0,0|2,0,0]=4 24485 B13R1.677 CN(CCCO)CCC1CCC1=O 269982a_100000213112_200016118888 [0,1,0,1,0,0|2,0,0]=4 24486 B13R1.677 COCCC(=O)CCC1CCC1=O 1458a_100000749529_200016118888 [0,1,0,1,0,0|1,0,1]=4 24487 B13R1.677 COCCN(C)CCC1CCC1=O 2230a_100000743101_200016118888 [0,1,0,1,0,0|2,0,0]=4 24488 B13R1.677 COCCN(C)CCC1CCC1=O 269982a_100000743101_200016118888 [0,1,0,1,0,0|2,0,0]=4 24489 B13R1.677 CSCCC(=O)CCC1CCC1=O 1458a_100000174002_200016118888 [0,1,0,1,0,0|1,0,1]=4 24490 B13R1.677 CSCCN(C)CCC1CCC1=O 2230a_100000686725_200016118888 [0,1,0,1,0,0|2,0,0]=4 24491 B13R1.677 CSCCN(C)CCC1CCC1=O 269982a_100000686725_200016118888 [0,1,0,1,0,0|2,0,0]=4 24492 B13R1.677 CSCC[C@H](N)COC1CCC1=O 34a_100011827619_100009892977 [0,1,0,1,0,0|2,0,0]=4 24493 B13R1.677 C[C@H](CCCO)CNC1CCC1=O 34a_100160569302_100009892977 [0,1,0,1,0,0|2,0,0]=4 24494 B13R1.684 C=CCCC(C)N1CCCC1CC 270004a_100000754278_100000762624 [0,1,0,1,0,0|2,0,0]=4 24495 B13R1.684 C=CCCN(C)C1CCCC1CC 270004a_100020639649_100000749056 [0,1,0,1,0,0|2,0,0]=4 24496 B13R1.686 CC(CCCCl)OC1CCCC1=O 34a_200000718107_100000709159 [0,1,0,1,0,0|2,0,0]=4 24497 B13R1.686 CC(CCCCl)OC1CCCC1=O 7a_200000718107_100000211823 [0,1,0,1,0,0|2,0,0]=4 24498 B13R1.686 CCCCC(=O)CN1CCCC1=O 1458a_100000189602_100000210211 [0,1,0,1,0,0|1,0,1]=4 24499 B13R1.686 CCCCC(C)NC1CCCC1=O 2230a_100000126638_100000211823 [0,1,0,1,0,0|1,0,0]=3 24500 B13R1.686 CCCCC(C)NC1CCNC1=O 2230a_100016995588_200011215066 [0,1,0,1,0,0|2,0,0]=4 24501 B13R1.686 CCCCC(C)NC1CCNC1=O 270004a_100016995588_100000210087 [0,1,0,1,0,0|2,0,0]=4 24502 B13R1.686 CCCCC(C)NC1CCNC1=O 34a_100016995588_200011215066 [0,1,0,1,0,0|2,0,0]=4 24503 B13R1.686 CCCCC(C)NC1CCOC1=O 2230a_100000126638_100000211211 [0,1,0,1,0,0|2,0,0]=4 24504 B13R1.686 CCCCC(C)OC1CCCC1=O 34a_100000687866_100000709159 [0,1,0,1,0,0|1,0,0]=3 24505 B13R1.686 CCCCC(C)OC1CCCC1=O 34a_200000719330_200011215066 [0,1,0,1,0,0|1,0,0]=3 24506 B13R1.686 CCCCC(C)OC1CCCC1=O 7a_100000687866_100000211823 [0,1,0,1,0,0|1,0,0]=3 24507 B13R1.686 CCCCC(C)OC1CCOC1=O 34a_100000687866_100000211211 [0,1,0,1,0,0|2,0,0]=4 24508 B13R1.686 CCCCC(C)OC1CCOC1=O 7a_100000687866_100000211211 [0,1,0,1,0,0|2,0,0]=4 24509 B13R1.686 CCCCC(C)O[C@H]1CCNC1=O 34a_100000688343_200011215066 [0,1,0,1,0,0|2,0,0]=4 24510 B13R1.686 CCCCC(C)SC1CCCC1=O 62a_100000211823_200011215066 [0,1,0,1,0,0|1,0,0]=3 24511 B13R1.686 CCCCC(C)SC1CCCC1=O 62a_200011215066_100000211823 [0,1,0,1,0,0|1,0,0]=3 24512 B13R1.686 CCCCC(C)SC1CCOC1=O 62a_100000211211_200011215066 [0,1,0,1,0,0|2,0,0]=4 24513 B13R1.686 CCCCC(C)SC1CCOC1=O 62a_200011215066_100000211211 [0,1,0,1,0,0|2,0,0]=4 24514 B13R1.686 CCCCN(C)CN1CCCC1=O 269982a_100000207549_100000026320 [0,1,0,1,0,0|2,0,0]=4 24515 B13R1.686 CCOCC(C)OC1CCCC1=O 34a_100000718985_100000709159 [0,1,0,1,0,0|2,0,0]=4 24516 B13R1.686 CCOCC(C)OC1CCCC1=O 7a_100000718985_100000211823 [0,1,0,1,0,0|2,0,0]=4 24517 B13R1.1133 C=CCCCCN1C(CCC1C)C 2230a_100000687148_100011215482 [0,1,0,1,0,0|2,0,0]=4 24518 B13R1.1133 C=CCCCCN1C(CCC1C)C 269982a_100000687148_100011215482 [0,1,0,1,0,0|2,0,0]=4 24519 B13R1.1133 C=CCCCCN1C(CCC1C)C 34a_100000687148_100011215482 [0,1,0,1,0,0|2,0,0]=4 24520 B13R1.1133 CC1CCC(N1CCCCC=O)C 2230a_100000687148_100000139335 [0,1,0,1,0,0|1,0,0]=3 24521 B13R1.1133 CC1CCC(N1CCCCC=O)C 269982a_100000687148_100000139335 [0,1,0,1,0,0|1,0,0]=3 24522 B13R1.1133 CCCCCNC1C(=O)CCC1=O 2230a_100000209983_100009820769 [0,1,0,1,0,0|1,0,1]=4 24523 B13R1.1133 CCCCCOC1C(=O)CCC1=O 7a_100000210253_100009820769 [0,1,0,1,0,0|1,0,1]=4 24524 B13R1.1133 CCCCCSC1C(=O)CCC1=O 62a_100000210326_100009820769 [0,1,0,1,0,0|1,0,1]=4 24525 B13R1.1133 CCCCCSC1C(=O)CCC1=O 62a_100009820769_100000210326 [0,1,0,1,0,0|1,0,1]=4 24526 B13R1.2436 C=CCCCCOC1(CCCC1)C 34a_100000751722_100011215482 [0,1,0,1,0,0|2,0,0]=4 24527 B13R1.2436 C=CCCCCOC1(CCCC1)C 7a_100000751722_100011215482 [0,1,0,1,0,0|2,0,0]=4 24528 B13R1.2436 C=CCCCNCC1(CCCC1)O 2230a_100000737848_100011713584 [0,1,0,1,0,0|2,0,0]=4 24529 B13R1.2436 C=CCCCOCC1(CCCC1)N 34a_100000749328_100000757094 [0,1,0,1,0,0|2,0,0]=4 24530 B13R1.2436 C=CCCNCCC1(CCCC1)O 34a_100000719956_100000754431 [0,1,0,1,0,0|2,0,0]=4 24531 B13R1.2436 CC1(CCCC1)OCCCCC=O 7a_100000751722_100000139335 [0,1,0,1,0,0|1,0,0]=3 24532 B13R1.2436 CC1(CCOC1)NCCCCC=O 2230a_100000693475_100000139335 [0,1,0,1,0,0|2,0,0]=4 24533 B13R1.2436 O=CCCCNCC1(CCCC1)O 2230a_100000737848_200011292268 [0,1,0,1,0,0|1,0,0]=3 24534 B13R1.2439 C=CCCCCCN1CC(C1)CC 2230a_100015205115_100000700193 [0,1,0,1,0,0|2,0,0]=4 24535 B13R1.2439 C=CCCCCCN1CC(C1)CC 269982a_100015205115_100000700193 [0,1,0,1,0,0|2,0,0]=4 24536 B13R1.2439 CCC1CN(C1)CCCCCC=O 2230a_100015205115_100000139337 [0,1,0,1,0,0|1,0,0]=3 24537 B13R1.2439 CCC1CN(C1)CCCCCC=O 269982a_100015205115_100000139337 [0,1,0,1,0,0|1,0,0]=3 24538 B13R1.2439 CCN1CC(C1)NCCCCC=O 2230a_200015199589_100000139335 [0,1,0,1,0,0|2,0,0]=4 24539 B13R1.2439 COC1CN(C1)CCCCCC=O 269982a_100000755009_100000139337 [0,1,0,1,0,0|2,0,0]=4 24540 B13R1.2439 CO[C@H]1C[C@@H](C1)NCCCCC=O 2230a_100121570643_100000139335 [0,1,0,1,0,0|2,0,0]=4 24541 B13R1.2439 CSC1CN(C1)CCCCCC=O 269982a_100016990038_100000139337 [0,1,0,1,0,0|2,0,0]=4 24542 B13R1.2439 O=CCCCCCN1CC(C1)CF 269982a_100010363649_100000139337 [0,1,0,1,0,0|2,0,0]=4 24543 B13R1.2439 O=CCCCCCN1CC(C1)CO 269982a_100016987283_100000139337 [0,1,0,1,0,0|2,0,0]=4 24544 B13R1.2439 O=CCCCCSC1CC(C1)CO 62a_100000139335_100009874164 [0,1,0,1,0,0|2,0,0]=4 24545 B13R1.2439 O=CCCCCSC1CC(C1)CO 62a_100009874164_100000139335 [0,1,0,1,0,0|2,0,0]=4 24546 B13R1.2488 C=CCCC(=O)C1CCCCCC1 1458a_100000749507_100000754431 [0,1,0,1,0,0|1,0,1]=4 24547 B13R1.2488 C=CCCC(=O)C1CCCCCC1 1458a_100000749702_100011217769 [0,1,0,1,0,0|1,0,1]=4 24548 B13R1.2488 C=CCCC(C)N1CCCCCC1 270004a_100000185865_100000762624 [0,1,0,1,0,0|2,0,0]=4 24549 B13R1.2488 C=CCCN(C)C1CCCCCC1 2230a_100015185097_100000754431 [0,1,0,1,0,0|2,0,0]=4 24550 B13R1.2488 C=CCCN(C)C1CCCCCC1 269982a_100015185097_100000754431 [0,1,0,1,0,0|2,0,0]=4 24551 B13R1.2488 C=CCCN(C)C1CCCCCC1 269982a_100020639649_100011217769 [0,1,0,1,0,0|2,0,0]=4 24552 B13R1.2488 C=CCCN(C)C1CCCCCC1 270004a_100020639649_100000210131 [0,1,0,1,0,0|2,0,0]=4 24553 B13R1.2488 C=CCCN(C)C1CCCCCC1 34a_100015185097_100000754431 [0,1,0,1,0,0|2,0,0]=4 24554 B13R1.3572 C=CCCCCCC(=O)C1CCC1 1458a_100000209988_100000700193 [0,1,0,1,0,0|1,0,1]=4 24555 B13R1.3572 C=CCCCCCC(=O)C1CCC1 1458a_100011934241_100000749161 [0,1,0,1,0,0|1,0,1]=4 24556 B13R1.3572 C=CCCCCCN(C)C1CCC1 2230a_100000758072_100000700193 [0,1,0,1,0,0|2,0,0]=4 24557 B13R1.3572 C=CCCCCCN(C)C1CCC1 269982a_100000758072_100000700193 [0,1,0,1,0,0|2,0,0]=4 24558 B13R1.3572 C=CCCCCCN(C)C1CCC1 34a_100000758072_100000700193 [0,1,0,1,0,0|2,0,0]=4 24559 B13R1.3572 C=CCCCCNC(C)C1CCC1 2230a_100016994624_100011215482 [0,1,0,1,0,0|2,0,0]=4 24560 B13R1.3572 C=CCCCCNC(C)C1CCC1 269862a_100000703577_100000760154 [0,1,0,1,0,0|2,0,0]=4 24561 B13R1.3572 C=CCCCCNC(C)C1CCC1 34a_100016994624_100011215482 [0,1,0,1,0,0|2,0,0]=4 24562 B13R1.3572 C=CCCCCOC(C)C1CCC1 34a_100000766398_100011215482 [0,1,0,1,0,0|2,0,0]=4 24563 B13R1.3572 C=CCCCCOC(C)C1CCC1 7a_100000766398_100011215482 [0,1,0,1,0,0|2,0,0]=4 24564 B13R1.3572 CC(NCCCCC=O)C1CCC1 2230a_100016994624_100000139335 [0,1,0,1,0,0|1,0,0]=3 24565 B13R1.3572 CC(OCCCCC=O)C1CCC1 7a_100000766398_100000139335 [0,1,0,1,0,0|1,0,0]=3 24566 B13R1.3572 CN(CCCCCC=O)C1CCC1 2230a_100000758072_100000139337 [0,1,0,1,0,0|1,0,0]=3 24567 B13R1.3572 CN(CCCCCC=O)C1CCC1 269982a_100000758072_100000139337 [0,1,0,1,0,0|1,0,0]=3 24568 B13R1.3572 CN(CCCCCC=O)C1COC1 2230a_100102693430_100000139337 [0,1,0,1,0,0|2,0,0]=4 24569 B13R1.3572 CN(CCCCCC=O)C1COC1 269982a_100102693430_100000139337 [0,1,0,1,0,0|2,0,0]=4 24570 B13R1.3572 O=CCCCSCC(=O)C1CCC1 62a_100000686122_200011292268 [0,1,0,1,0,0|1,0,1]=4 24571 B13R1.3572 O=CCCCSCC(=O)C1CCC1 62a_200011292268_100000686122 [0,1,0,1,0,0|1,0,1]=4 24572 B13R1.3574 C=CCCCCCC(=O)CC1CC1 1458a_100000738066_100000700193 [0,1,0,1,0,0|1,0,1]=4 24573 B13R1.3574 C=CCCCCCC(=O)CC1CC1 1458a_100011934241_100000742324 [0,1,0,1,0,0|1,0,1]=4 24574 B13R1.3574 C=CCCCCCN(C)CC1CC1 2230a_100000741881_100000700193 [0,1,0,1,0,0|2,0,0]=4 24575 B13R1.3574 C=CCCCCCN(C)CC1CC1 269982a_100000741881_100000700193 [0,1,0,1,0,0|2,0,0]=4 24576 B13R1.3574 C=CCCCCNC(C)CC1CC1 270004a_100000703577_200000686933 [0,1,0,1,0,0|2,0,0]=4 24577 B13R1.3574 CN(CCCCCC=O)CC1CC1 2230a_100000741881_100000139337 [0,1,0,1,0,0|1,0,0]=3 24578 B13R1.3574 CN(CCCCCC=O)CC1CC1 269982a_100000741881_100000139337 [0,1,0,1,0,0|1,0,0]=3 24579 B13R1.6366 C=CCCCCCC(=O)C1CC1C 1458a_100000211227_100000700193 [0,1,0,1,0,0|1,0,1]=4 24580 B13R1.90 C=C(C)CCN1CCCCC1CC 2230a_100000210034_100000730704 [0,1,0,1,0,0|2,0,0]=4 24581 B13R1.90 C=C(C)CCN1CCCCC1CC 269982a_100000210034_100000730704 [0,1,0,1,0,0|2,0,0]=4 24582 B13R1.90 C=C(C)CCN1CCCCC1CC 34a_100000210034_100000730704 [0,1,0,1,0,0|2,0,0]=4 24583 B13R1.90 C=C(C)COC1CCCCC1CC 34a_100000210738_100000748629 [0,1,0,1,0,0|2,0,0]=4 24584 B13R1.90 C=C(C)COC1CCCCC1CC 7a_100000210738_100000748629 [0,1,0,1,0,0|2,0,0]=4 24585 B13R1.90 C=C(F)COC1CCCCC1CC 34a_100000210738_100009893438 [0,1,0,1,0,0|2,0,0]=4 24586 B13R1.90 C=C(F)COC1CCCCC1CC 7a_100000210738_100000042424 [0,1,0,1,0,0|2,0,0]=4 24587 B13R1.90 CC(=O)CCN1CCCCC1CO 269982a_100000210821_100000053229 [0,1,0,1,0,0|2,0,0]=4 24588 B13R1.90 CCC1CCCCC1OCC(=O)N 34a_100000210738_100000187820 [0,1,0,1,0,0|1,0,0]=3 24589 B13R1.90 CCC1CCCCC1OCC(=O)N 7a_100000210738_100000187820 [0,1,0,1,0,0|1,0,0]=3 24590 B13R1.90 CCC1CCCCC1OCC(=O)[O-] 34a_100000210738_100020667443 [0,1,0,1,0,0|1,0,0]=3 24591 B13R1.90 CCC1CCCCC1OC[N+](=O)[O-] 34a_100000210738_100000761209 [0,1,0,1,0,0|2,0,0]=4 24592 B13R1.90 CCC1CCCCN1CCC(=O)C 269982a_100000210034_100000053229 [0,1,0,1,0,0|1,0,0]=3 24593 B13R1.90 CCC1CCCCN1CCC(=O)N 2230a_100000210034_100000744528 [0,1,0,1,0,0|1,0,0]=3 24594 B13R1.90 CCC1CCCCN1CCC(=O)N 269982a_100000210034_100000744528 [0,1,0,1,0,0|1,0,0]=3 24595 B13R1.90 CCC1CCCCN1CCC(=O)N 34a_100000210034_100000731001 [0,1,0,1,0,0|1,0,0]=3 24596 B13R1.90 CCC1CCCCN1COC(=O)C 269982a_100000210034_100000076356 [0,1,0,1,0,0|2,0,0]=4 24597 B13R1.90 CCC1CCCCN1COC(=O)C 34a_100000210034_100009813279 [0,1,0,1,0,0|2,0,0]=4 24598 B13R1.90 CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210202 [0,1,0,1,0,0|1,0,0]=3 24599 B13R1.90 CCN1CCCCC1CNC(=O)C 11a_100000754393_100015343762 [0,1,0,1,0,0|2,0,0]=4 24600 B13R1.90 CCN1CCCCC1CNC(=O)C 1626a_100000754393_100015343762 [0,1,0,1,0,0|2,0,0]=4 24601 B13R1.90 CCN1CCCCC1CNC(=O)C 240690a_100000754393_100015343762 [0,1,0,1,0,0|2,0,0]=4 24602 B13R1.90 CCN1CCCCC1CNC(=O)C 527a_100000754393_100103153847 [0,1,0,1,0,0|2,0,0]=4 24603 B13R1.90 CC[C@H]1COCCN1CCC(=O)C 269982a_100016988097_100000053229 [0,1,0,1,0,0|2,0,0]=4 24604 B13R1.90 CC[C@H]1COCCN1CCC(=O)N 2230a_100016988097_100000744528 [0,1,0,1,0,0|2,0,0]=4 24605 B13R1.90 CC[C@H]1COCCN1CCC(=O)N 269982a_100016988097_100000744528 [0,1,0,1,0,0|2,0,0]=4 24606 B13R1.90 CC[C@H]1COCCN1CCC(=O)N 34a_100016988097_100000731001 [0,1,0,1,0,0|2,0,0]=4 24607 B13R1.90 CN[C@@H]1CCCC[C@H]1OCC(=O)N 34a_100000708425_100000187820 [0,1,0,1,0,0|2,0,0]=4 24608 B13R1.90 CN[C@@H]1CCCC[C@H]1OCC(=O)[O-] 34a_100000708425_100020667443 [0,1,0,1,0,0|2,0,0]=4 24609 B13R1.90 COC1CCCCC1NCC(=O)N 34a_100011208099_100000187820 [0,1,0,1,0,0|2,0,0]=4 24610 B13R1.90 COC1CCCCC1NCC(=O)[O-] 34a_100011208099_100020667443 [0,1,0,1,0,0|2,0,0]=4 24611 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)N 34a_200009815850_100000187820 [0,1,0,1,0,0|2,0,0]=4 24612 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)N 7a_200009815850_100000187820 [0,1,0,1,0,0|2,0,0]=4 24613 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)[O-] 34a_200009815850_100020667443 [0,1,0,1,0,0|2,0,0]=4 24614 B13R1.90 NC(=O)CCN1CCCCC1CO 2230a_100000210821_100000744528 [0,1,0,1,0,0|2,0,0]=4 24615 B13R1.90 NC(=O)CCN1CCCCC1CO 269982a_100000210821_100000744528 [0,1,0,1,0,0|2,0,0]=4 24616 B13R1.90 NC(=O)CCN1CCCCC1CO 34a_100000210821_100000731001 [0,1,0,1,0,0|2,0,0]=4 24617 B13R1.90 NCC1CCCCC1OCC(=O)N 34a_100011216029_100000187820 [0,1,0,1,0,0|2,0,0]=4 24618 B13R1.90 NCC1CCCCC1OCC(=O)[O-] 34a_100011216029_100020667443 [0,1,0,1,0,0|2,0,0]=4 24619 B13R1.90 O=C(O)CCC1CCCCN1CF 269956a_100000694054_100015361967 [0,1,0,1,0,0|2,0,0]=4 24620 B13R1.103 CC(=O)CCCN1CCC[C@@H]1CO 269982a_100000745186_100011215641 [0,1,0,1,0,0|2,0,0]=4 24621 B13R1.103 CC(=O)CCCN1CCC[C@@H]1CO 34a_100000745186_100000685027 [0,1,0,1,0,0|2,0,0]=4 24622 B13R1.103 CCC1CCCC1NCCC(=O)N 269862a_100000740010_100000749056 [0,1,0,1,0,0|1,0,0]=3 24623 B13R1.103 CCC1CCCN1CCCC(=O)C 269982a_100000754278_100011215641 [0,1,0,1,0,0|1,0,0]=3 24624 B13R1.103 CCC1CCCN1CCCC(=O)C 34a_100000754278_100000685027 [0,1,0,1,0,0|1,0,0]=3 24625 B13R1.103 CCC1CCCN1CCCC(=O)N 269982a_100000754278_100102525003 [0,1,0,1,0,0|1,0,0]=3 24626 B13R1.103 CCC1CCCN1CCCC(=O)N 34a_100000754278_100102525003 [0,1,0,1,0,0|1,0,0]=3 24627 B13R1.103 CCC1CCCN1CCNC(=O)C 2230a_100000754278_100000189650 [0,1,0,1,0,0|2,0,0]=4 24628 B13R1.103 CCC1CCCN1CCNC(=O)C 269982a_100000754278_100000189650 [0,1,0,1,0,0|2,0,0]=4 24629 B13R1.103 CCC1CCCN1CCNC(=O)N 2230a_100000754278_200000034859 [0,1,0,1,0,0|2,0,0]=4 24630 B13R1.103 CCC1CCCN1CCNC(=O)N 269982a_100000754278_200000034859 [0,1,0,1,0,0|2,0,0]=4 24631 B13R1.103 CCC1CCCN1CCOC(=O)C 269982a_100000754278_100009814007 [0,1,0,1,0,0|2,0,0]=4 24632 B13R1.103 CCC1CCCN1CCOC(=O)C 34a_100000754278_100009814007 [0,1,0,1,0,0|2,0,0]=4 24633 B13R1.103 CCC1CCCN1CCOC(=O)N 269982a_100000754278_200011214921 [0,1,0,1,0,0|2,0,0]=4 24634 B13R1.103 CCC1CCCN1CCOC(=O)N 34a_100000754278_200011214921 [0,1,0,1,0,0|2,0,0]=4 24635 B13R1.103 CCN1CCCC1CNCC(=O)N 2230a_100000211693_100000747473 [0,1,0,1,0,0|2,0,0]=4 24636 B13R1.103 CCN1CCC[C@@H]1COCC(=O)N 34a_100011739246_100000187820 [0,1,0,1,0,0|2,0,0]=4 24637 B13R1.103 CCN1CCC[C@@H]1COCC(=O)N 7a_100011739246_100000187820 [0,1,0,1,0,0|2,0,0]=4 24638 B13R1.103 CCN1CCC[C@@H]1COCC(=O)[O-] 34a_100011739246_100020667443 [0,1,0,1,0,0|2,0,0]=4 24639 B13R1.103 NC(=O)CCCN1CCC[C@@H]1CO 269982a_100000745186_100102525003 [0,1,0,1,0,0|2,0,0]=4 24640 B13R1.103 NC(=O)CCCN1CCC[C@@H]1CO 34a_100000745186_100102525003 [0,1,0,1,0,0|2,0,0]=4 24641 B13R1.158 C=C(C)CCNC1CCCCC1C 2230a_100000211402_100000730704 [0,1,0,1,0,0|2,0,0]=4 24642 B13R1.158 C=C(C)CCNC1CCCCC1C 34a_100000211402_100000730704 [0,1,0,1,0,0|2,0,0]=4 24643 B13R1.158 C=C(C)CCOC1CCCCC1=O 34a_100000764851_100000754470 [0,1,0,1,0,0|1,0,1]=4 24644 B13R1.158 C=C(C)CCOC1CCCCC1=O 34a_100011214950_100000730704 [0,1,0,1,0,0|1,0,1]=4 24645 B13R1.158 C=C(C)CCOC1CCCCC1C 34a_100000211207_100000730704 [0,1,0,1,0,0|2,0,0]=4 24646 B13R1.158 C=C(C)CCOC1CCCCC1C 7a_100000211207_100000730704 [0,1,0,1,0,0|2,0,0]=4 24647 B13R1.158 C=C(C)CCSC1CCCCC1=O 62a_100000204591_100000730704 [0,1,0,1,0,0|1,0,1]=4 24648 B13R1.158 C=C(C)CCSC1CCCCC1=O 62a_100000730704_100000204591 [0,1,0,1,0,0|1,0,1]=4 24649 B13R1.158 C=C(C)COCC1CCCCC1=O 34a_100009861125_100000748629 [0,1,0,1,0,0|1,0,1]=4 24650 B13R1.158 C=C(C)COCC1CCCCC1=O 7a_100009861125_100000748629 [0,1,0,1,0,0|1,0,1]=4 24651 B13R1.158 CC(=O)CCCN1CCCCC1=O 1458a_100011236284_200000210301 [0,1,0,1,0,0|1,0,1]=4 24652 B13R1.158 CC(=O)CCCN1CCCCC1C 269982a_100000211376_100011215641 [0,1,0,1,0,0|1,0,0]=3 24653 B13R1.158 CC(=O)CCCN1CCCCC1C 34a_100000211376_100000685027 [0,1,0,1,0,0|1,0,0]=3 24654 B13R1.158 CC(=O)CCCN1CCOC[C@@H]1C 269982a_100009815349_100011215641 [0,1,0,1,0,0|2,0,0]=4 24655 B13R1.158 CC(=O)CCCN1CCOC[C@@H]1C 34a_100009815349_100000685027 [0,1,0,1,0,0|2,0,0]=4 24656 B13R1.158 CC(=O)CCOC1CCCCC1=O 34a_100000759926_100000754470 [0,1,0,1,0,0|1,0,1]=4 24657 B13R1.158 CC(=O)CCOC1CCCCC1=O 7a_100000759926_100000204591 [0,1,0,1,0,0|1,0,1]=4 24658 B13R1.158 CC(=O)CCOC1CCCCC1C 7a_100000211207_100000053229 [0,1,0,1,0,0|1,0,0]=3 24659 B13R1.158 CC(=O)CCOC1CCCCC1Cl 7a_100000038908_100000053229 [0,1,0,1,0,0|2,0,0]=4 24660 B13R1.158 CC(=O)CCOC1CCCCC1F 34a_100000759926_100015423560 [0,1,0,1,0,0|2,0,0]=4 24661 B13R1.158 CC(=O)CCOC1CCCCC1O 34a_100000759926_100000038908 [0,1,0,1,0,0|2,0,0]=4 24662 B13R1.158 CC(=O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000053229 [0,1,0,1,0,0|2,0,0]=4 24663 B13R1.158 CC(=O)CCSC1CCCCC1=O 62a_100000053229_100000204591 [0,1,0,1,0,0|1,0,1]=4 24664 B13R1.158 CC(=O)CCSC1CCCCC1=O 62a_100000204591_100000053229 [0,1,0,1,0,0|1,0,1]=4 24665 B13R1.158 CC(=O)CCSC1CCCCC1F 62a_100000053229_100015423560 [0,1,0,1,0,0|2,0,0]=4 24666 B13R1.158 CC(=O)CCSC1CCCCC1F 62a_100015423560_100000053229 [0,1,0,1,0,0|2,0,0]=4 24667 B13R1.158 CC(=O)CCSC1CCCCC1O 62a_100000038908_100000053229 [0,1,0,1,0,0|2,0,0]=4 24668 B13R1.158 CC(=O)CCSC1CCCCC1O 62a_100000053229_100000038908 [0,1,0,1,0,0|2,0,0]=4 24669 B13R1.158 CC(=O)COCC1CCCCN1C 34a_100000211253_100015186950 [0,1,0,1,0,0|2,0,0]=4 24670 B13R1.158 CC(=O)NCCC1CCCCN1C 2230a_200011221479_200000210301 [0,1,0,1,0,0|2,0,0]=4 24671 B13R1.158 CC(=O)NCCC1CCCCN1C 269982a_200011221479_200000210301 [0,1,0,1,0,0|2,0,0]=4 24672 B13R1.158 CC(=O)NCCC1CCCCN1C 34a_200011221479_200000210301 [0,1,0,1,0,0|2,0,0]=4 24673 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 2230a_200011221479_200025704644 [0,1,0,1,0,0|2,0,0]=4 24674 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 269982a_200011221479_200025704644 [0,1,0,1,0,0|2,0,0]=4 24675 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 34a_200011221479_200025704644 [0,1,0,1,0,0|2,0,0]=4 24676 B13R1.158 CC(=O)NCCN1CCCCC1C 2230a_100000211376_100000189650 [0,1,0,1,0,0|2,0,0]=4 24677 B13R1.158 CC(=O)NCCN1CCCCC1C 240690a_100000739827_100015343762 [0,1,0,1,0,0|2,0,0]=4 24678 B13R1.158 CC(=O)NCCN1CCCCC1C 269982a_100000211376_100000189650 [0,1,0,1,0,0|2,0,0]=4 24679 B13R1.158 CC(=O)NCCN1CCCCC1C 527a_100000739827_100103153847 [0,1,0,1,0,0|2,0,0]=4 24680 B13R1.158 CC(=O)OCCN1CCCCC1C 269982a_100000211376_100009814007 [0,1,0,1,0,0|2,0,0]=4 24681 B13R1.158 CC(=O)OCCN1CCCCC1C 34a_100000211376_100009814007 [0,1,0,1,0,0|2,0,0]=4 24682 B13R1.158 CC(=O)OCNC1CCCCC1C 34a_100000211402_100009813279 [0,1,0,1,0,0|2,0,0]=4 24683 B13R1.158 CC(=O)OCOC1CCCCC1C 34a_100000211207_100009813279 [0,1,0,1,0,0|2,0,0]=4 24684 B13R1.158 CC(Br)CCOC1CCCCC1=O 34a_100009893172_100000754470 [0,1,0,1,0,0|1,0,0]=3 24685 B13R1.158 CC(Br)CCOC1CCCNC1=O 34a_100009893172_100000687798 [0,1,0,1,0,0|2,0,0]=4 24686 B13R1.158 CC(Br)CCOC1COCCC1=O 34a_100009893172_100012180262 [0,1,0,1,0,0|2,0,0]=4 24687 B13R1.158 CC(C)CCNC1CCCNC1=O 2230a_100000747585_100000210312 [0,1,0,1,0,0|2,0,0]=4 24688 B13R1.158 CC(C)CCNC1CCCNC1=O 34a_100000747585_100000210312 [0,1,0,1,0,0|2,0,0]=4 24689 B13R1.158 CC(C)CCOC1CCCCC1=O 34a_100000210254_100000754470 [0,1,0,1,0,0|1,0,0]=3 24690 B13R1.158 CC(C)CCOC1CCCCC1=O 34a_100011214950_100000210312 [0,1,0,1,0,0|1,0,0]=3 24691 B13R1.158 CC(C)CCOC1CCCCC1=O 7a_100000210254_100000204591 [0,1,0,1,0,0|1,0,0]=3 24692 B13R1.158 CC(C)CCOC1CCCNC1=O 34a_100000073722_100000210312 [0,1,0,1,0,0|2,0,0]=4 24693 B13R1.158 CC(C)CCOC1CCCNC1=O 34a_100000210254_100000687798 [0,1,0,1,0,0|2,0,0]=4 24694 B13R1.158 CC(C)CCOC1CCCNC1=O 7a_100000210254_100000687798 [0,1,0,1,0,0|2,0,0]=4 24695 B13R1.158 CC(C)CCOC1COCCC1=O 34a_100000210254_100012180262 [0,1,0,1,0,0|2,0,0]=4 24696 B13R1.158 CC(C)CCOC1COCCC1=O 7a_100000210254_100012180262 [0,1,0,1,0,0|2,0,0]=4 24697 B13R1.158 CC(C)CCSC1CCCCC1=O 62a_100000204591_100000210312 [0,1,0,1,0,0|1,0,0]=3 24698 B13R1.158 CC(C)CCSC1CCCCC1=O 62a_100000210312_100000204591 [0,1,0,1,0,0|1,0,0]=3 24699 B13R1.158 CC(C)CCSC1CCCNC1=O 62a_100000210312_100000687798 [0,1,0,1,0,0|2,0,0]=4 24700 B13R1.158 CC(C)CCSC1CCCNC1=O 62a_100000687798_100000210312 [0,1,0,1,0,0|2,0,0]=4 24701 B13R1.158 CC(C)CCSC1COCCC1=O 62a_100000210312_100012180262 [0,1,0,1,0,0|2,0,0]=4 24702 B13R1.158 CC(C)CCSC1COCCC1=O 62a_100012180262_100000210312 [0,1,0,1,0,0|2,0,0]=4 24703 B13R1.158 CC(C)COCC1CCCCC1=O 34a_100009861125_100000210624 [0,1,0,1,0,0|1,0,0]=3 24704 B13R1.158 CC(C)COCC1CCCCC1=O 7a_100009861125_100000210760 [0,1,0,1,0,0|1,0,0]=3 24705 B13R1.158 CC(C)NCCN1CCCCC1=O 2230a_100160573077_100000210206 [0,1,0,1,0,0|2,0,0]=4 24706 B13R1.158 CC(C)NCCN1CCCCC1=O 34a_100160573077_100000210206 [0,1,0,1,0,0|2,0,0]=4 24707 B13R1.158 CC(C)OCOC1CCCCC1=O 34a_100011214950_100000709892 [0,1,0,1,0,0|2,0,0]=4 24708 B13R1.158 CC(C)OCSC1CCCCC1=O 62a_100000204591_100000709892 [0,1,0,1,0,0|2,0,0]=4 24709 B13R1.158 CC(C)OCSC1CCCCC1=O 62a_100000709892_100000204591 [0,1,0,1,0,0|2,0,0]=4 24710 B13R1.158 CC(O)CCNC1CCCNC1=O 2230a_100000747585_100012276601 [0,1,0,1,0,0|2,0,0]=4 24711 B13R1.158 CC(O)CCNC1CCCNC1=O 2230a_200000755665_100000687798 [0,1,0,1,0,0|2,0,0]=4 24712 B13R1.158 CC(O)CCNC1CCCNC1=O 34a_100000747585_100012276601 [0,1,0,1,0,0|2,0,0]=4 24713 B13R1.158 CC(O)CCOC1CCCCC1=O 34a_100011214950_100012276601 [0,1,0,1,0,0|1,0,0]=3 24714 B13R1.158 CC(O)CCOC1CCCNC1=O 34a_100000073722_100012276601 [0,1,0,1,0,0|2,0,0]=4 24715 B13R1.158 CC(O)CCSC1CCCCC1=O 62a_100000204591_100012276601 [0,1,0,1,0,0|1,0,0]=3 24716 B13R1.158 CC(O)CCSC1CCCCC1=O 62a_100012276601_100000204591 [0,1,0,1,0,0|1,0,0]=3 24717 B13R1.158 CC(O)CCSC1CCCNC1=O 62a_100000687798_100012276601 [0,1,0,1,0,0|2,0,0]=4 24718 B13R1.158 CC(O)CCSC1CCCNC1=O 62a_100012276601_100000687798 [0,1,0,1,0,0|2,0,0]=4 24719 B13R1.158 CC(O)CCSC1COCCC1=O 62a_100012180262_100012276601 [0,1,0,1,0,0|2,0,0]=4 24720 B13R1.158 CC(O)CCSC1COCCC1=O 62a_100012276601_100012180262 [0,1,0,1,0,0|2,0,0]=4 24721 B13R1.158 CC(O)COCC1CCCCC1=O 34a_100009861125_100011218427 [0,1,0,1,0,0|1,0,0]=3 24722 B13R1.158 CC(O)COCC1CCCCC1=O 7a_100009861125_100011218427 [0,1,0,1,0,0|1,0,0]=3 24723 B13R1.158 CC1CCCCC1NCCC(=O)N 2230a_100000211402_100000744528 [0,1,0,1,0,0|1,0,0]=3 24724 B13R1.158 CC1CCCCC1NCCC(=O)N 269862a_100000740010_100000210921 [0,1,0,1,0,0|1,0,0]=3 24725 B13R1.158 CC1CCCCC1NCCC(=O)N 34a_100000211402_100000731001 [0,1,0,1,0,0|1,0,0]=3 24726 B13R1.158 CC1CCCCC1OCCC(=O)N 34a_100000211207_100000731001 [0,1,0,1,0,0|1,0,0]=3 24727 B13R1.158 CC1CCCCC1OCCC(=O)N 7a_100000211207_100000744528 [0,1,0,1,0,0|1,0,0]=3 24728 B13R1.158 CC1CCCCN1CCCC(=O)N 269982a_100000211376_100102525003 [0,1,0,1,0,0|1,0,0]=3 24729 B13R1.158 CC1CCCCN1CCCC(=O)N 34a_100000211376_100102525003 [0,1,0,1,0,0|1,0,0]=3 24730 B13R1.158 CC1CCCCN1CCNC(=O)N 2230a_100000211376_200000034859 [0,1,0,1,0,0|2,0,0]=4 24731 B13R1.158 CC1CCCCN1CCNC(=O)N 269982a_100000211376_200000034859 [0,1,0,1,0,0|2,0,0]=4 24732 B13R1.158 CC1CCCCN1CCOC(=O)N 269982a_100000211376_200011214921 [0,1,0,1,0,0|2,0,0]=4 24733 B13R1.158 CC1CCCCN1CCOC(=O)N 34a_100000211376_200011214921 [0,1,0,1,0,0|2,0,0]=4 24734 B13R1.158 CC1CCNCC1OCCC(=O)N 34a_100000696640_100000731001 [0,1,0,1,0,0|2,0,0]=4 24735 B13R1.158 CC1CNCCC1OCCC(=O)N 34a_100011998114_100000731001 [0,1,0,1,0,0|2,0,0]=4 24736 B13R1.158 CN(C)CCSC1CCCCC1=O 62a_100000204591_100000755713 [0,1,0,1,0,0|2,0,0]=4 24737 B13R1.158 CN1CCCCC1CNCC(=O)N 34a_100011228421_100000187820 [0,1,0,1,0,0|2,0,0]=4 24738 B13R1.158 CN1CCCCC1CNCC(=O)O 269956a_100016091260_100015185383 [0,1,0,1,0,0|2,0,0]=4 24739 B13R1.158 CN1CCCCC1CNCC(=O)[O-] 34a_100011228421_100020667443 [0,1,0,1,0,0|2,0,0]=4 24740 B13R1.158 CN1CCCCC1COCC(=O)N 34a_100000225079_100000187820 [0,1,0,1,0,0|2,0,0]=4 24741 B13R1.158 CN1CCCCC1COCC(=O)[O-] 34a_100000225079_100020667443 [0,1,0,1,0,0|2,0,0]=4 24742 B13R1.158 CN1CCCCC1CSCC(=O)N 62a_100000747473_100015185383 [0,1,0,1,0,0|2,0,0]=4 24743 B13R1.158 CN1CCCCC1CSCC(=O)N 62a_100015185383_100000747473 [0,1,0,1,0,0|2,0,0]=4 24744 B13R1.158 CN1CCCCC1CSCC(=O)[O-] 62a_100015185383_100020667443 [0,1,0,1,0,0|2,0,0]=4 24745 B13R1.158 CN1CCCCC1CSCC(=O)[O-] 62a_100020667443_100015185383 [0,1,0,1,0,0|2,0,0]=4 24746 B13R1.158 C[C@@H](N)CCOC1CCCCC1=O 34a_100000706166_100000754470 [0,1,0,1,0,0|1,0,0]=3 24747 B13R1.158 C[C@@H](N)CCOC1CCCNC1=O 34a_100000706166_100000687798 [0,1,0,1,0,0|2,0,0]=4 24748 B13R1.158 C[C@@H](N)CCOC1COCCC1=O 34a_100000706166_100012180262 [0,1,0,1,0,0|2,0,0]=4 24749 B13R1.158 C[C@@H](O)COCC1CCCCC1=O 34a_100009861125_100009817552 [0,1,0,1,0,0|1,0,0]=3 24750 B13R1.158 C[C@@H](O)COCC1CCCCC1=O 7a_100009861125_100009817552 [0,1,0,1,0,0|1,0,0]=3 24751 B13R1.158 C[C@H]1COCCN1CCCC(=O)N 269982a_100009815349_100102525003 [0,1,0,1,0,0|2,0,0]=4 24752 B13R1.158 C[C@H]1COCCN1CCCC(=O)N 34a_100009815349_100102525003 [0,1,0,1,0,0|2,0,0]=4 24753 B13R1.158 NC(=O)CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000744528 [0,1,0,1,0,0|2,0,0]=4 24754 B13R1.158 NC(=O)CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000731001 [0,1,0,1,0,0|2,0,0]=4 24755 B13R1.158 NC(=O)CCOC1CCCCC1Cl 34a_100000038908_100000731001 [0,1,0,1,0,0|2,0,0]=4 24756 B13R1.158 NC(=O)CCOC1CCCCC1Cl 7a_100000038908_100000744528 [0,1,0,1,0,0|2,0,0]=4 24757 B13R1.158 NC(=O)CCOC1CCCCC1F 34a_100000757172_100015423560 [0,1,0,1,0,0|2,0,0]=4 24758 B13R1.158 NC(=O)CCOC1CCCCC1O 34a_100000757172_100000038908 [0,1,0,1,0,0|2,0,0]=4 24759 B13R1.158 NC(=O)CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000731001 [0,1,0,1,0,0|2,0,0]=4 24760 B13R1.158 NC(=O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000744528 [0,1,0,1,0,0|2,0,0]=4 24761 B13R1.158 NC(=O)CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000731001 [0,1,0,1,0,0|2,0,0]=4 24762 B13R1.158 NC(=O)CCSC1CCCCC1F 62a_100000744528_100015423560 [0,1,0,1,0,0|2,0,0]=4 24763 B13R1.158 NC(=O)CCSC1CCCCC1F 62a_100015423560_100000744528 [0,1,0,1,0,0|2,0,0]=4 24764 B13R1.158 NC(=O)CCSC1CCCCC1O 62a_100000038908_100000744528 [0,1,0,1,0,0|2,0,0]=4 24765 B13R1.158 NC(=O)CCSC1CCCCC1O 62a_100000744528_100000038908 [0,1,0,1,0,0|2,0,0]=4 24766 B13R1.158 NC(=O)CNCC1CCCCC1O 34a_100011216029_100000187820 [0,1,0,1,0,0|2,0,0]=4 24767 B13R1.158 O=C([O-])CNCC1CCCCC1O 34a_100011216029_100020667443 [0,1,0,1,0,0|2,0,0]=4 24768 B13R1.158 O=C1CCCCC1COCC(F)F 34a_100009861125_100011934356 [0,1,0,1,0,0|2,0,0]=4 24769 B13R1.158 O=C1CCCCC1COCC(F)F 7a_100009861125_100011934356 [0,1,0,1,0,0|2,0,0]=4 24770 B13R1.158 O=C1CCCCC1OCCC(F)F 34a_100103093639_100000754470 [0,1,0,1,0,0|2,0,0]=4 24771 B13R1.158 [13CH3]C(=O)CCCN1CCCCC1=O 1458a_100011236284_200025704644 [0,1,0,1,0,0|1,0,1]=4 24772 B13R1.167 CC(=O)CCCCN1CCC[C@@H]1C 269982a_100020605311_100000735457 [0,1,0,1,0,0|1,0,0]=3 24773 B13R1.167 CC(=O)CCCCN1CCC[C@H]1C 269982a_100015189458_100000735457 [0,1,0,1,0,0|1,0,0]=3 24774 B13R1.167 CC(=O)CCCCN1CCC[C@H]1C 34a_100015189458_100009817362 [0,1,0,1,0,0|1,0,0]=3 24775 B13R1.167 CC(=O)CCCCN1CCSC1C 269982a_200011216479_100000735457 [0,1,0,1,0,0|2,0,0]=4 24776 B13R1.167 CC(=O)CCCCN1CCSC1C 34a_200011216479_100009817362 [0,1,0,1,0,0|2,0,0]=4 24777 B13R1.167 CC(=O)CCCOC1CCCC1=O 34a_100000759063_100000709159 [0,1,0,1,0,0|1,0,1]=4 24778 B13R1.167 CC(=O)CCCOC1CCCC1=O 34a_200000719330_100000685027 [0,1,0,1,0,0|1,0,1]=4 24779 B13R1.167 CC(=O)CCCOC1CCCC1=O 7a_100000759063_100000211823 [0,1,0,1,0,0|1,0,1]=4 24780 B13R1.167 CC(=O)CCCOC1CCCC1C 34a_100011216460_100000685027 [0,1,0,1,0,0|1,0,0]=3 24781 B13R1.167 CC(=O)CCCOC1CCCC1C 7a_100011216460_100011215641 [0,1,0,1,0,0|1,0,0]=3 24782 B13R1.167 CC(=O)CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000685027 [0,1,0,1,0,0|2,0,0]=4 24783 B13R1.167 CC(=O)CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000685027 [0,1,0,1,0,0|2,0,0]=4 24784 B13R1.167 CC(=O)CCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000685027 [0,1,0,1,0,0|2,0,0]=4 24785 B13R1.167 CC(=O)CCCSC1CCCC1=O 62a_100000211823_100011215641 [0,1,0,1,0,0|1,0,1]=4 24786 B13R1.167 CC(=O)CCCSC1CCCC1=O 62a_100011215641_100000211823 [0,1,0,1,0,0|1,0,1]=4 24787 B13R1.167 CC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_100011215641_200016002552 [0,1,0,1,0,0|2,0,0]=4 24788 B13R1.167 CC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215641 [0,1,0,1,0,0|2,0,0]=4 24789 B13R1.167 CC(=O)COCCC1CCCN1C 34a_100000211253_100000005710 [0,1,0,1,0,0|2,0,0]=4 24790 B13R1.167 CC(=O)NCCNC1CCCC1C 269862a_100000209853_100000752053 [0,1,0,1,0,0|2,0,0]=4 24791 B13R1.167 CC(=O)NCCOC1CCCC1C 7a_100011216460_100000189650 [0,1,0,1,0,0|2,0,0]=4 24792 B13R1.167 CC(=O)OCCCN1CCC[C@@H]1C 269982a_100020605311_100000042594 [0,1,0,1,0,0|2,0,0]=4 24793 B13R1.167 CC(=O)OCCCN1CCC[C@H]1C 269982a_100015189458_100000042594 [0,1,0,1,0,0|2,0,0]=4 24794 B13R1.167 CC(=O)OCCCN1CCC[C@H]1C 34a_100015189458_100000042594 [0,1,0,1,0,0|2,0,0]=4 24795 B13R1.167 CC(=O)OCCOC1CCCC1C 34a_100011216460_100009814007 [0,1,0,1,0,0|2,0,0]=4 24796 B13R1.167 CC(=O)OCCOC1CCCC1C 7a_100011216460_100009814007 [0,1,0,1,0,0|2,0,0]=4 24797 B13R1.167 CC(=O)SCCCN1CCC[C@@H]1C 2230a_100020605311_100000038929 [0,1,0,1,0,0|2,0,0]=4 24798 B13R1.167 CC(=O)SCCCN1CCC[C@@H]1C 269982a_100020605311_100000038929 [0,1,0,1,0,0|2,0,0]=4 24799 B13R1.167 CC(=O)SCCCN1CCC[C@H]1C 2230a_100015189458_100000038929 [0,1,0,1,0,0|2,0,0]=4 24800 B13R1.167 CC(=O)SCCCN1CCC[C@H]1C 269982a_100015189458_100000038929 [0,1,0,1,0,0|2,0,0]=4 24801 B13R1.167 CC(=O)SCCCN1CCC[C@H]1C 34a_100015189458_100000038929 [0,1,0,1,0,0|2,0,0]=4 24802 B13R1.167 CC(=O)SCCNC1CCCC1C 269862a_100020647217_100000752053 [0,1,0,1,0,0|2,0,0]=4 24803 B13R1.167 CC(Br)COCCN1CCCC1=O 34a_100012180447_100000739059 [0,1,0,1,0,0|2,0,0]=4 24804 B13R1.167 CC(C)CCCNC1CCCC1=O 2230a_200000737386_100000211823 [0,1,0,1,0,0|1,0,0]=3 24805 B13R1.167 CC(C)CCCNC1CCCC1=O 34a_200000737386_100000709159 [0,1,0,1,0,0|1,0,0]=3 24806 B13R1.167 CC(C)CCCNC1CCNC1=O 2230a_100016995588_100011214892 [0,1,0,1,0,0|2,0,0]=4 24807 B13R1.167 CC(C)CCCNC1CCNC1=O 34a_100016995588_100011214892 [0,1,0,1,0,0|2,0,0]=4 24808 B13R1.167 CC(C)CCCNC1CCOC1=O 2230a_200000737386_100000211211 [0,1,0,1,0,0|2,0,0]=4 24809 B13R1.167 CC(C)CCCNC1CCOC1=O 34a_200000737386_100000211211 [0,1,0,1,0,0|2,0,0]=4 24810 B13R1.167 CC(C)CCCOC1CCCC1=O 34a_100000210774_100000709159 [0,1,0,1,0,0|1,0,0]=3 24811 B13R1.167 CC(C)CCCOC1CCCC1=O 34a_200000719330_100011214892 [0,1,0,1,0,0|1,0,0]=3 24812 B13R1.167 CC(C)CCCOC1CCCC1=O 7a_100000210774_100000211823 [0,1,0,1,0,0|1,0,0]=3 24813 B13R1.167 CC(C)CCCOC1CCOC1=O 34a_100000210774_100000211211 [0,1,0,1,0,0|2,0,0]=4 24814 B13R1.167 CC(C)CCCOC1CCOC1=O 7a_100000210774_100000211211 [0,1,0,1,0,0|2,0,0]=4 24815 B13R1.167 CC(C)CCCO[C@H]1CCNC1=O 34a_100000688343_100011214892 [0,1,0,1,0,0|2,0,0]=4 24816 B13R1.167 CC(C)CCCSC1CCCC1=O 62a_100000211823_100011214892 [0,1,0,1,0,0|1,0,0]=3 24817 B13R1.167 CC(C)CCCSC1CCCC1=O 62a_100011214892_100000211823 [0,1,0,1,0,0|1,0,0]=3 24818 B13R1.167 CC(C)CCCSC1CCOC1=O 62a_100000211211_100011214892 [0,1,0,1,0,0|2,0,0]=4 24819 B13R1.167 CC(C)CCCSC1CCOC1=O 62a_100011214892_100000211211 [0,1,0,1,0,0|2,0,0]=4 24820 B13R1.167 CC(C)CCOCC1CCNC1=O 34a_100000133458_100000210312 [0,1,0,1,0,0|2,0,0]=4 24821 B13R1.167 CC(C)CCSCN1CCCC1=O 62a_100000026320_100000210312 [0,1,0,1,0,0|2,0,0]=4 24822 B13R1.167 CC(C)CCSCN1CCCC1=O 62a_100000210312_100000026320 [0,1,0,1,0,0|2,0,0]=4 24823 B13R1.167 CC(C)CNCCN1CCCC1=O 2230a_100000210953_100000739059 [0,1,0,1,0,0|2,0,0]=4 24824 B13R1.167 CC(C)CNCCN1CCCC1=O 2230a_100011200922_100000210760 [0,1,0,1,0,0|2,0,0]=4 24825 B13R1.167 CC(C)CNCCN1CCCC1=O 270004a_100011200922_100000210432 [0,1,0,1,0,0|2,0,0]=4 24826 B13R1.167 CC(C)CNCCN1CCCC1=O 34a_100000210953_100000739059 [0,1,0,1,0,0|2,0,0]=4 24827 B13R1.167 CC(C)COCCN1CCCC1=O 34a_100000210257_100000739059 [0,1,0,1,0,0|2,0,0]=4 24828 B13R1.167 CC(C)COCCN1CCCC1=O 34a_100000211209_100000210624 [0,1,0,1,0,0|2,0,0]=4 24829 B13R1.167 CC(C)COCCN1CCCC1=O 7a_100000211209_100000210760 [0,1,0,1,0,0|2,0,0]=4 24830 B13R1.167 CC(C)CSCCN1CCCC1=O 62a_100000210624_100000739059 [0,1,0,1,0,0|2,0,0]=4 24831 B13R1.167 CC(C)CSCCN1CCCC1=O 62a_100000739059_100000210760 [0,1,0,1,0,0|2,0,0]=4 24832 B13R1.167 CC(C)NCCCN1CCCC1=O 2230a_100000210347_100000210206 [0,1,0,1,0,0|2,0,0]=4 24833 B13R1.167 CC(C)NCCCN1CCCC1=O 34a_100000210347_100000210206 [0,1,0,1,0,0|2,0,0]=4 24834 B13R1.167 CC(C)NCCOC1CCCC1=O 34a_100000224655_100000709159 [0,1,0,1,0,0|2,0,0]=4 24835 B13R1.167 CC(C)OCCCN1CCCC1=O 34a_100011216539_100000210206 [0,1,0,1,0,0|2,0,0]=4 24836 B13R1.167 CC(C)OCCCN1CCCC1=O 7a_100011216539_100000210206 [0,1,0,1,0,0|2,0,0]=4 24837 B13R1.167 CC(C)OCCNC1CCCC1=O 2230a_100000701111_100000211823 [0,1,0,1,0,0|2,0,0]=4 24838 B13R1.167 CC(C)OCCNC1CCCC1=O 34a_100000701111_100000709159 [0,1,0,1,0,0|2,0,0]=4 24839 B13R1.167 CC(C)OCCOC1CCCC1=O 34a_100000211219_100000709159 [0,1,0,1,0,0|2,0,0]=4 24840 B13R1.167 CC(C)OCCOC1CCCC1=O 34a_200000719330_100000211751 [0,1,0,1,0,0|2,0,0]=4 24841 B13R1.167 CC(C)OCCOC1CCCC1=O 7a_100000211219_100000211823 [0,1,0,1,0,0|2,0,0]=4 24842 B13R1.167 CC(C)OCCSC1CCCC1=O 62a_100000211751_100000211823 [0,1,0,1,0,0|2,0,0]=4 24843 B13R1.167 CC(C)OCCSC1CCCC1=O 62a_100000211823_100000211751 [0,1,0,1,0,0|2,0,0]=4 24844 B13R1.167 CC(C)SCCNC1CCCC1=O 2230a_100000731138_100000211823 [0,1,0,1,0,0|2,0,0]=4 24845 B13R1.167 CC(C)SCCNC1CCCC1=O 34a_100000731138_100000709159 [0,1,0,1,0,0|2,0,0]=4 24846 B13R1.167 CC(C)SCCOC1CCCC1=O 34a_200000719330_100000730970 [0,1,0,1,0,0|2,0,0]=4 24847 B13R1.167 CC(C)SCCOC1CCCC1=O 34a_200011212901_100000709159 [0,1,0,1,0,0|2,0,0]=4 24848 B13R1.167 CC(C)SCCOC1CCCC1=O 7a_200011212901_100000211823 [0,1,0,1,0,0|2,0,0]=4 24849 B13R1.167 CC(C)SCCSC1CCCC1=O 62a_100000211823_100000730970 [0,1,0,1,0,0|2,0,0]=4 24850 B13R1.167 CC(C)SCCSC1CCCC1=O 62a_100000730970_100000211823 [0,1,0,1,0,0|2,0,0]=4 24851 B13R1.167 CC(F)COCCN1CCCC1=O 34a_100015925927_100000739059 [0,1,0,1,0,0|2,0,0]=4 24852 B13R1.167 CC(O)CCCNC1CCNC1=O 2230a_100016995588_200000718107 [0,1,0,1,0,0|2,0,0]=4 24853 B13R1.167 CC(O)CCCNC1CCNC1=O 34a_100016995588_200000718107 [0,1,0,1,0,0|2,0,0]=4 24854 B13R1.167 CC(O)CCCOC1CCCC1=O 34a_200000719330_200000718107 [0,1,0,1,0,0|1,0,0]=3 24855 B13R1.167 CC(O)CCCO[C@H]1CCNC1=O 34a_100000688343_200000718107 [0,1,0,1,0,0|2,0,0]=4 24856 B13R1.167 CC(O)CCCSC1CCCC1=O 62a_100000211823_200000718107 [0,1,0,1,0,0|1,0,0]=3 24857 B13R1.167 CC(O)CCCSC1CCCC1=O 62a_200000718107_100000211823 [0,1,0,1,0,0|1,0,0]=3 24858 B13R1.167 CC(O)CCCSC1CCOC1=O 62a_100000211211_200000718107 [0,1,0,1,0,0|2,0,0]=4 24859 B13R1.167 CC(O)CCCSC1CCOC1=O 62a_200000718107_100000211211 [0,1,0,1,0,0|2,0,0]=4 24860 B13R1.167 CC(O)CCOCC1CCNC1=O 34a_100000133458_100012276601 [0,1,0,1,0,0|2,0,0]=4 24861 B13R1.167 CC(O)CCSCN1CCCC1=O 62a_100000026320_100012276601 [0,1,0,1,0,0|2,0,0]=4 24862 B13R1.167 CC(O)CCSCN1CCCC1=O 62a_100012276601_100000026320 [0,1,0,1,0,0|2,0,0]=4 24863 B13R1.167 CC(O)CNCCN1CCCC1=O 2230a_100000210904_100000739059 [0,1,0,1,0,0|2,0,0]=4 24864 B13R1.167 CC(O)CNCCN1CCCC1=O 2230a_100011200922_100011218427 [0,1,0,1,0,0|2,0,0]=4 24865 B13R1.167 CC(O)CNCCN1CCCC1=O 34a_100000210904_100000739059 [0,1,0,1,0,0|2,0,0]=4 24866 B13R1.167 CC(O)COCCN1CCCC1=O 34a_100000211209_100011218427 [0,1,0,1,0,0|2,0,0]=4 24867 B13R1.167 CC(O)COCCN1CCCC1=O 7a_100000211209_100011218427 [0,1,0,1,0,0|2,0,0]=4 24868 B13R1.167 CC(O)CSCCN1CCCC1=O 62a_100000739059_100011218427 [0,1,0,1,0,0|2,0,0]=4 24869 B13R1.167 CC(O)CSCCN1CCCC1=O 62a_100011218427_100000739059 [0,1,0,1,0,0|2,0,0]=4 24870 B13R1.167 CC1CCCC1NCCCC(=O)N 269862a_100000739312_100000752053 [0,1,0,1,0,0|1,0,0]=3 24871 B13R1.167 CC1CCCC1NCCNC(=O)N 269862a_100020590234_100000752053 [0,1,0,1,0,0|2,0,0]=4 24872 B13R1.167 CC1CCCC1OCCCC(=O)N 34a_100011216460_100102525003 [0,1,0,1,0,0|1,0,0]=3 24873 B13R1.167 CC1CCCC1OCCCC(=O)N 7a_100011216460_100102525003 [0,1,0,1,0,0|1,0,0]=3 24874 B13R1.167 CC1CCCC1OCCNC(=O)N 7a_100011216460_200000034859 [0,1,0,1,0,0|2,0,0]=4 24875 B13R1.167 CC1CCCC1OCCOC(=O)N 34a_100011216460_200011214921 [0,1,0,1,0,0|2,0,0]=4 24876 B13R1.167 CC1CCCC1OCCOC(=O)N 7a_100011216460_200011214921 [0,1,0,1,0,0|2,0,0]=4 24877 B13R1.167 CN(C)CCCSC1CCCC1=O 62a_100000211823_100000757444 [0,1,0,1,0,0|2,0,0]=4 24878 B13R1.167 CN1CCCC1CCNCC(=O)N 2230a_100000711301_100000005710 [0,1,0,1,0,0|2,0,0]=4 24879 B13R1.167 CN1CCCC1CCNCC(=O)O 269956a_100016091260_100000005710 [0,1,0,1,0,0|2,0,0]=4 24880 B13R1.167 CN1CCCC1CCOCC(=O)N 34a_100011215177_100000187820 [0,1,0,1,0,0|2,0,0]=4 24881 B13R1.167 CN1CCCC1CCOCC(=O)N 7a_100011215177_100000187820 [0,1,0,1,0,0|2,0,0]=4 24882 B13R1.167 CN1CCCC1CCOCC(=O)[O-] 34a_100011215177_100020667443 [0,1,0,1,0,0|2,0,0]=4 24883 B13R1.167 CN1CCCC1CCSCC(=O)N 62a_100000005710_100000747473 [0,1,0,1,0,0|2,0,0]=4 24884 B13R1.167 CN1CCCC1CCSCC(=O)N 62a_100000747473_100000005710 [0,1,0,1,0,0|2,0,0]=4 24885 B13R1.167 CN1CCCC1CCSCC(=O)[O-] 62a_100000005710_100020667443 [0,1,0,1,0,0|2,0,0]=4 24886 B13R1.167 CN1CCCC1CCSCC(=O)[O-] 62a_100020667443_100000005710 [0,1,0,1,0,0|2,0,0]=4 24887 B13R1.167 CN1CCCC1COCCC(=O)N 34a_100000743107_100000731001 [0,1,0,1,0,0|2,0,0]=4 24888 B13R1.167 CS(=O)CCCNC1CCCC1=O 2230a_200000753449_100000211823 [0,1,0,1,0,0|2,0,0]=4 24889 B13R1.167 C[C@@H](Cl)COCCN1CCCC1=O 34a_100016084084_100000739059 [0,1,0,1,0,0|2,0,0]=4 24890 B13R1.167 C[C@@H](N)COCCN1CCCC1=O 34a_100000737577_100000739059 [0,1,0,1,0,0|2,0,0]=4 24891 B13R1.167 C[C@@H](O)CNCCN1CCCC1=O 2230a_100011200922_100009817552 [0,1,0,1,0,0|2,0,0]=4 24892 B13R1.167 C[C@@H](O)COCCN1CCCC1=O 34a_100000211209_100009817552 [0,1,0,1,0,0|2,0,0]=4 24893 B13R1.167 C[C@@H](O)COCCN1CCCC1=O 7a_100000211209_100009817552 [0,1,0,1,0,0|2,0,0]=4 24894 B13R1.167 C[C@@H](O)CSCCN1CCCC1=O 62a_100000739059_100009817552 [0,1,0,1,0,0|2,0,0]=4 24895 B13R1.167 C[C@@H](O)CSCCN1CCCC1=O 62a_100009817552_100000739059 [0,1,0,1,0,0|2,0,0]=4 24896 B13R1.167 C[C@@H]1CCCN1CCOCC(=O)N 2230a_100015189458_100000076697 [0,1,0,1,0,0|2,0,0]=4 24897 B13R1.167 C[C@@H]1CCCN1CCOCC(=O)N 269982a_100015189458_100000076697 [0,1,0,1,0,0|2,0,0]=4 24898 B13R1.167 C[C@@H]1CCCN1CCOCC(=O)N 34a_100015189458_100000076697 [0,1,0,1,0,0|2,0,0]=4 24899 B13R1.167 C[C@@H]1CNC[C@@H]1OCCCC(=O)N 34a_200015306588_100102525003 [0,1,0,1,0,0|2,0,0]=4 24900 B13R1.167 C[C@H]1CCCN1CCOCC(=O)N 2230a_100020605311_100000076697 [0,1,0,1,0,0|2,0,0]=4 24901 B13R1.167 C[C@H]1CCCN1CCOCC(=O)N 269982a_100020605311_100000076697 [0,1,0,1,0,0|2,0,0]=4 24902 B13R1.167 NC(=O)CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100102525003 [0,1,0,1,0,0|2,0,0]=4 24903 B13R1.167 NC(=O)CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100102525003 [0,1,0,1,0,0|2,0,0]=4 24904 B13R1.167 NC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_100102525003_200016002552 [0,1,0,1,0,0|2,0,0]=4 24905 B13R1.167 NC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100102525003 [0,1,0,1,0,0|2,0,0]=4 24906 B13R1.193 C=CCCCCN1CCCC1(C)C 2230a_100000761399_100011215482 [0,1,0,1,0,0|2,0,0]=4 24907 B13R1.193 C=CCCCCN1CCCC1(C)C 269982a_100000761399_100011215482 [0,1,0,1,0,0|2,0,0]=4 24908 B13R1.193 C=CCCCCN1CCCC1(C)C 34a_100000761399_100011215482 [0,1,0,1,0,0|2,0,0]=4 24909 B13R1.193 C=CCCCNC1CCCC1(C)C 269862a_100000700776_100000065263 [0,1,0,1,0,0|2,0,0]=4 24910 B13R1.193 C=CCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100011713584 [0,1,0,1,0,0|2,0,0]=4 24911 B13R1.193 C=CCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000757094 [0,1,0,1,0,0|2,0,0]=4 24912 B13R1.193 C=CCCCOC1CCCC1(C)C 34a_100000726220_100000757094 [0,1,0,1,0,0|2,0,0]=4 24913 B13R1.193 C=CCCCOC1CCCC1(C)C 7a_100000726220_100000757094 [0,1,0,1,0,0|2,0,0]=4 24914 B13R1.193 CC1(CCCC1OCCCC=O)C 7a_100000726220_200011292268 [0,1,0,1,0,0|1,0,0]=3 24915 B13R1.193 CC1(CCCN1CCCCC=O)C 2230a_100000761399_100000139335 [0,1,0,1,0,0|1,0,0]=3 24916 B13R1.193 CC1(CCCN1CCCCC=O)C 269982a_100000761399_100000139335 [0,1,0,1,0,0|1,0,0]=3 24917 B13R1.193 CC1(CCCN1CCNCC=O)C 2230a_100015204988_200015260668 [0,1,0,1,0,0|2,0,0]=4 24918 B13R1.193 CC1(COCN1CCCCC=O)C 2230a_100000043020_100000139335 [0,1,0,1,0,0|2,0,0]=4 24919 B13R1.193 CC1(COCN1CCCCC=O)C 269982a_100000043020_100000139335 [0,1,0,1,0,0|2,0,0]=4 24920 B13R1.193 CC1(SCCN1CCCCC=O)C 2230a_100011217261_100000139335 [0,1,0,1,0,0|2,0,0]=4 24921 B13R1.193 CC1(SCCN1CCCCC=O)C 269982a_100011217261_100000139335 [0,1,0,1,0,0|2,0,0]=4 24922 B13R1.193 C[C@]1(CCC[C@H]1NCCCC=O)O 2230a_100015977457_200011292268 [0,1,0,1,0,0|1,0,0]=3 24923 B13R1.193 O=CCCCNC1CCCC1(F)F 2230a_100000767123_200011292268 [0,1,0,1,0,0|2,0,0]=4 24924 B13R1.193 O=CCCCSC1CCCC1(F)F 62a_100119073726_200011292268 [0,1,0,1,0,0|2,0,0]=4 24925 B13R1.193 O=CCCCSC1CCCC1(F)F 62a_200011292268_100119073726 [0,1,0,1,0,0|2,0,0]=4 24926 B13R1.198 CC(=O)CCCCOCC1CC1C 34a_100000744939_100009817362 [0,1,0,1,0,0|1,0,0]=3 24927 B13R1.198 CC(=O)CCCCOCC1CC1C 7a_100000744939_100000735457 [0,1,0,1,0,0|1,0,0]=3 24928 B13R1.198 CC(=O)OCCCOCC1CC1C 34a_100000744939_100000042594 [0,1,0,1,0,0|2,0,0]=4 24929 B13R1.198 CC(=O)OCCCOCC1CC1C 7a_100000744939_100000042594 [0,1,0,1,0,0|2,0,0]=4 24930 B13R1.198 CC(=O)SCCCOCC1CC1C 34a_100000744939_100000038929 [0,1,0,1,0,0|2,0,0]=4 24931 B13R1.198 CC(=O)SCCCOCC1CC1C 7a_100000744939_100000038929 [0,1,0,1,0,0|2,0,0]=4 24932 B13R1.198 CC1CC1COCCOCC(=O)N 34a_100000744939_100000076697 [0,1,0,1,0,0|2,0,0]=4 24933 B13R1.198 CC1CC1COCCOCC(=O)N 7a_100000744939_100000076697 [0,1,0,1,0,0|2,0,0]=4 24934 B13R1.198 NC(=O)CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100009817443 [0,1,0,1,0,0|2,0,0]=4 24935 B13R1.198 NC(=O)CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100009817443 [0,1,0,1,0,0|2,0,0]=4 24936 B13R1.198 NC(=O)CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100009817443 [0,1,0,1,0,0|2,0,0]=4 24937 B13R1.218 COCC1CCN1CCCC(=O)C 269982a_100015195929_100011215641 [0,1,0,1,0,0|2,0,0]=4 24938 B13R1.218 COCC1CCN1CCCC(=O)C 34a_100015195929_100000685027 [0,1,0,1,0,0|2,0,0]=4 24939 B13R1.218 COCC1CCN1CCCC(=O)N 269982a_100015195929_100102525003 [0,1,0,1,0,0|2,0,0]=4 24940 B13R1.218 COCC1CCN1CCCC(=O)N 34a_100015195929_100102525003 [0,1,0,1,0,0|2,0,0]=4 24941 B13R1.224 C=CCN1CCCCCC1C(C)C 2230a_100000697956_100000210623 [0,1,0,1,0,0|2,0,0]=4 24942 B13R1.224 C=CCN1CCCCCC1C(C)C 269982a_100000697956_100000210623 [0,1,0,1,0,0|2,0,0]=4 24943 B13R1.224 C=CCN1CCCCCC1C(C)C 34a_100000697956_100015514636 [0,1,0,1,0,0|2,0,0]=4 24944 B13R1.224 CC(C)C1CCCCCN1CC=O 2230a_100000697956_200015260668 [0,1,0,1,0,0|1,0,0]=3 24945 B13R1.224 CC(C)C1CCCCCN1CC=O 269982a_100000697956_200015260668 [0,1,0,1,0,0|1,0,0]=3 24946 B13R1.224 CC(C)C1CCCCCN1CC=O 34a_100000697956_200009817547 [0,1,0,1,0,0|1,0,0]=3 24947 B13R1.224 CCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210207 [0,1,0,1,0,0|1,0,0]=3 24948 B13R1.224 COCN1CCCCCC1C(=O)O 269956a_100000758484_100000766300 [0,1,0,1,0,0|2,0,0]=4 24949 B13R1.224 CSCN1CCCCCC1C(=O)O 269956a_100000758484_100011218213 [0,1,0,1,0,0|2,0,0]=4 24950 B13R1.224 O=C(O)C1CCCCCN1CCF 269956a_100000758484_100011217306 [0,1,0,1,0,0|2,0,0]=4 24951 B13R1.224 O=C(O)C1CCCCCN1CCO 269956a_100000758484_100000211926 [0,1,0,1,0,0|2,0,0]=4 24952 B13R1.280 C=C(C)CSC1CCCCCC1=O 62a_100000243696_100000211660 [0,1,0,1,0,0|1,0,1]=4 24953 B13R1.280 C=C(C)CSC1CCCCCC1=O 62a_100000748629_100000243696 [0,1,0,1,0,0|1,0,1]=4 24954 B13R1.280 CC(=O)CCN1CCCCCC1=O 1458a_200011207554_200000210301 [0,1,0,1,0,0|1,0,1]=4 24955 B13R1.280 CC(C)CNC1CCCCNC1=O 2230a_100000210953_100000735217 [0,1,0,1,0,0|2,0,0]=4 24956 B13R1.280 CC(C)CNC1CCCCNC1=O 2230a_100000698827_100000210760 [0,1,0,1,0,0|2,0,0]=4 24957 B13R1.280 CC(C)CNC1CCCCNC1=O 270004a_100000698827_100000210432 [0,1,0,1,0,0|2,0,0]=4 24958 B13R1.280 CC(C)CNC1CCCCNC1=O 34a_100000698827_100000210624 [0,1,0,1,0,0|2,0,0]=4 24959 B13R1.280 CC(C)CSC1CCCCCC1=O 62a_100000210624_100000243696 [0,1,0,1,0,0|1,0,0]=3 24960 B13R1.280 CC(C)CSC1CCCCCC1=O 62a_100000243696_100000210760 [0,1,0,1,0,0|1,0,0]=3 24961 B13R1.280 CC(C)CSC1CCCCNC1=O 62a_100000210624_100000735217 [0,1,0,1,0,0|2,0,0]=4 24962 B13R1.280 CC(C)CSC1CCCCNC1=O 62a_100000735217_100000210760 [0,1,0,1,0,0|2,0,0]=4 24963 B13R1.280 CC(O)CNC1CCCCNC1=O 2230a_100000210904_100000735217 [0,1,0,1,0,0|2,0,0]=4 24964 B13R1.280 CC(O)CNC1CCCCNC1=O 2230a_100000698827_100011218427 [0,1,0,1,0,0|2,0,0]=4 24965 B13R1.280 CC(O)CNC1CCCCNC1=O 34a_100000698827_100011218427 [0,1,0,1,0,0|2,0,0]=4 24966 B13R1.280 CC(O)CSC1CCCCCC1=O 62a_100000243696_100011218427 [0,1,0,1,0,0|1,0,0]=3 24967 B13R1.280 CC(O)CSC1CCCCCC1=O 62a_100011218427_100000243696 [0,1,0,1,0,0|1,0,0]=3 24968 B13R1.280 CC(O)CSC1CCCCNC1=O 62a_100000735217_100011218427 [0,1,0,1,0,0|2,0,0]=4 24969 B13R1.280 CC(O)CSC1CCCCNC1=O 62a_100011218427_100000735217 [0,1,0,1,0,0|2,0,0]=4 24970 B13R1.280 C[C@@H](O)CNC1CCCCNC1=O 2230a_100000698827_100009817552 [0,1,0,1,0,0|2,0,0]=4 24971 B13R1.280 C[C@@H](O)CNC1CCCCNC1=O 34a_100000698827_100009817552 [0,1,0,1,0,0|2,0,0]=4 24972 B13R1.280 C[C@@H](O)CSC1CCCCCC1=O 62a_100000243696_100009817552 [0,1,0,1,0,0|1,0,0]=3 24973 B13R1.280 C[C@@H](O)CSC1CCCCCC1=O 62a_100009817552_100000243696 [0,1,0,1,0,0|1,0,0]=3 24974 B13R1.280 C[C@@H](O)CSC1CCCCNC1=O 62a_100000735217_100009817552 [0,1,0,1,0,0|2,0,0]=4 24975 B13R1.280 C[C@@H](O)CSC1CCCCNC1=O 62a_100009817552_100000735217 [0,1,0,1,0,0|2,0,0]=4 24976 B13R1.280 O=C1CCCCCC1SCC(F)F 62a_100000243696_100011934356 [0,1,0,1,0,0|2,0,0]=4 24977 B13R1.280 O=C1CCCCCC1SCC(F)F 62a_100011934356_100000243696 [0,1,0,1,0,0|2,0,0]=4 24978 B13R1.280 [13CH3]C(=O)CCN1CCCCCC1=O 1458a_200011207554_200025704644 [0,1,0,1,0,0|1,0,1]=4 24979 B13R1.297 C=C(C)CCSCCC1CCC1=O 62a_100000730704_200016118888 [0,1,0,1,0,0|1,0,1]=4 24980 B13R1.297 C=C(C)CCSCCC1CCC1=O 62a_200016118888_100000730704 [0,1,0,1,0,0|1,0,1]=4 24981 B13R1.297 CC(=O)CCCCSC1CCC1=O 62a_100000735457_100009892977 [0,1,0,1,0,0|1,0,1]=4 24982 B13R1.297 CC(=O)CCCCSC1CCC1=O 62a_100009892977_100000735457 [0,1,0,1,0,0|1,0,1]=4 24983 B13R1.297 CC(=O)CCOCCC1CCC1=O 7a_100000759926_200016118888 [0,1,0,1,0,0|1,0,1]=4 24984 B13R1.297 CC(=O)CCSCCC1CCC1=O 62a_100000053229_200016118888 [0,1,0,1,0,0|1,0,1]=4 24985 B13R1.297 CC(=O)CCSCCC1CCC1=O 62a_200016118888_100000053229 [0,1,0,1,0,0|1,0,1]=4 24986 B13R1.297 CC(=O)OCCCCN1CCC1C 269982a_100000755817_100000033659 [0,1,0,1,0,0|2,0,0]=4 24987 B13R1.297 CC(=O)OCCCCN1CCC1C 34a_100000755817_100000033659 [0,1,0,1,0,0|2,0,0]=4 24988 B13R1.297 CC(=O)SCCCCN1CCC1C 269982a_100000755817_200010402107 [0,1,0,1,0,0|2,0,0]=4 24989 B13R1.297 CC(=O)SCCCCN1CCC1C 34a_100000755817_200010402107 [0,1,0,1,0,0|2,0,0]=4 24990 B13R1.297 CC(C)CCCCOC1CCC1=O 34a_100011214890_100009892977 [0,1,0,1,0,0|1,0,0]=3 24991 B13R1.297 CC(C)CCCCOC1CCC1=O 7a_100011214890_100009892977 [0,1,0,1,0,0|1,0,0]=3 24992 B13R1.297 CC(C)CCCCSC1CCC1=O 62a_100009892977_100011216152 [0,1,0,1,0,0|1,0,0]=3 24993 B13R1.297 CC(C)CCCCSC1CCC1=O 62a_100011216152_100009892977 [0,1,0,1,0,0|1,0,0]=3 24994 B13R1.297 CC(C)CCOCCC1CCC1=O 7a_100000210254_200016118888 [0,1,0,1,0,0|1,0,0]=3 24995 B13R1.297 CC(C)CCSCCC1CCC1=O 62a_100000210312_200016118888 [0,1,0,1,0,0|1,0,0]=3 24996 B13R1.297 CC(C)CCSCCC1CCC1=O 62a_200016118888_100000210312 [0,1,0,1,0,0|1,0,0]=3 24997 B13R1.297 CC(C)CNCCOC1CCC1=O 34a_100015185251_100009892977 [0,1,0,1,0,0|2,0,0]=4 24998 B13R1.297 CC(C)COCCOC1CCC1=O 34a_100000703358_100009892977 [0,1,0,1,0,0|2,0,0]=4 24999 B13R1.297 CC(C)COCCOC1CCC1=O 7a_100000703358_100009892977 [0,1,0,1,0,0|2,0,0]=4 25000 B13R1.297 CC(C)CSCCOC1CCC1=O 34a_200000230437_100009892977 [0,1,0,1,0,0|2,0,0]=4 25001 B13R1.297 CC(C)CSCCOC1CCC1=O 7a_200000230437_100009892977 [0,1,0,1,0,0|2,0,0]=4 25002 B13R1.297 CC(C)NCCCOC1CCC1=O 34a_100000182298_100009892977 [0,1,0,1,0,0|2,0,0]=4 25003 B13R1.297 CC(C)OCCCNC1CCC1=O 34a_100000737246_100009892977 [0,1,0,1,0,0|2,0,0]=4 25004 B13R1.297 CC(C)OCSCCC1CCC1=O 62a_100000709892_200016118888 [0,1,0,1,0,0|2,0,0]=4 25005 B13R1.297 CC(C)OCSCCC1CCC1=O 62a_200016118888_100000709892 [0,1,0,1,0,0|2,0,0]=4 25006 B13R1.297 CC(O)CCNCCC1CCC1=O 2230a_200000755665_200016118888 [0,1,0,1,0,0|1,0,0]=3 25007 B13R1.297 CC(O)CCSCCC1CCC1=O 62a_100012276601_200016118888 [0,1,0,1,0,0|1,0,0]=3 25008 B13R1.297 CC(O)CCSCCC1CCC1=O 62a_200016118888_100012276601 [0,1,0,1,0,0|1,0,0]=3 25009 B13R1.297 CC1CCN1CCCCCC(=O)N 269982a_100000755817_100009817443 [0,1,0,1,0,0|1,0,0]=3 25010 B13R1.297 CC1CCN1CCCCCC(=O)N 34a_100000755817_100009817443 [0,1,0,1,0,0|1,0,0]=3 25011 B13R1.297 CN(C)CCCCSC1CCC1=O 62a_100009892977_100000690147 [0,1,0,1,0,0|2,0,0]=4 25012 B13R1.297 CN(C)CCSCCC1CCC1=O 62a_200016118888_100000755713 [0,1,0,1,0,0|2,0,0]=4 25013 B13R1.337 C=C(Br)CCOCC1CCCCC1 34a_100009813270_100000211423 [0,1,0,1,0,0|2,0,0]=4 25014 B13R1.337 C=C(C)CCNCC1CCCCC1 2230a_100000210473_100000730704 [0,1,0,1,0,0|2,0,0]=4 25015 B13R1.337 C=C(C)CCNCC1CCCCC1 34a_100000210473_100000730704 [0,1,0,1,0,0|2,0,0]=4 25016 B13R1.337 C=C(C)CCOCC1CCCCC1 34a_100000212181_100000730704 [0,1,0,1,0,0|2,0,0]=4 25017 B13R1.337 C=C(C)CCOCC1CCCCC1 34a_100000764851_100000211423 [0,1,0,1,0,0|2,0,0]=4 25018 B13R1.337 C=C(C)CCOCC1CCCCC1 7a_100000212181_100000730704 [0,1,0,1,0,0|2,0,0]=4 25019 B13R1.337 C=C(C)CCSCC1CCCCC1 62a_100000211423_100000730704 [0,1,0,1,0,0|2,0,0]=4 25020 B13R1.337 C=C(C)CCSCC1CCCCC1 62a_100000730704_100000211423 [0,1,0,1,0,0|2,0,0]=4 25021 B13R1.337 C=C(C)CNCCC1CCCCC1 2230a_100000738074_100000748629 [0,1,0,1,0,0|2,0,0]=4 25022 B13R1.337 C=C(C)CNCCC1CCCCC1 34a_100000738074_100000748629 [0,1,0,1,0,0|2,0,0]=4 25023 B13R1.337 C=C(C)COCCC1CCCCC1 34a_100000210245_100011209188 [0,1,0,1,0,0|2,0,0]=4 25024 B13R1.337 C=C(C)COCCC1CCCCC1 34a_100011217863_100000748629 [0,1,0,1,0,0|2,0,0]=4 25025 B13R1.337 C=C(C)COCCC1CCCCC1 7a_100011217863_100000748629 [0,1,0,1,0,0|2,0,0]=4 25026 B13R1.337 C=C(C)CSCCC1CCCCC1 62a_100000748629_100012355289 [0,1,0,1,0,0|2,0,0]=4 25027 B13R1.337 C=C(C)CSCCC1CCCCC1 62a_100012355289_100000211660 [0,1,0,1,0,0|2,0,0]=4 25028 B13R1.337 C=C(F)CNCCC1CCCCC1 2230a_100000738074_100009893438 [0,1,0,1,0,0|2,0,0]=4 25029 B13R1.337 C=C(F)CNCCC1CCCCC1 34a_100000738074_100009893438 [0,1,0,1,0,0|2,0,0]=4 25030 B13R1.337 C=C(F)COCCC1CCCCC1 34a_100011217863_100009893438 [0,1,0,1,0,0|2,0,0]=4 25031 B13R1.337 C=C(F)COCCC1CCCCC1 34a_200010262243_100011209188 [0,1,0,1,0,0|2,0,0]=4 25032 B13R1.337 C=C(F)COCCC1CCCCC1 7a_100011217863_100000042424 [0,1,0,1,0,0|2,0,0]=4 25033 B13R1.337 C=C(F)CSCCC1CCCCC1 62a_100000042424_100012355289 [0,1,0,1,0,0|2,0,0]=4 25034 B13R1.337 C=C(F)CSCCC1CCCCC1 62a_100012355289_100000042424 [0,1,0,1,0,0|2,0,0]=4 25035 B13R1.337 CC(=O)CCCCC1CCCCC1 1458a_200011215547_200000210301 [0,1,0,1,0,0|0,0,0]=2 25036 B13R1.337 CC(=O)CCCCN1CCCCC1 1458a_100000754417_200000210301 [0,1,0,1,0,0|1,0,0]=3 25037 B13R1.337 CC(=O)CCCCN1CCCOC1 269982a_100000131196_100000735457 [0,1,0,1,0,0|2,0,0]=4 25038 B13R1.337 CC(=O)CCCCN1CCCOC1 34a_100000131196_100009817362 [0,1,0,1,0,0|2,0,0]=4 25039 B13R1.337 CC(=O)CCCCN1CCOCC1 269982a_100015191051_100000735457 [0,1,0,1,0,0|2,0,0]=4 25040 B13R1.337 CC(=O)CCCCN1CCOCC1 34a_100015191051_100009817362 [0,1,0,1,0,0|2,0,0]=4 25041 B13R1.337 CC(=O)CCCCN1CCSCC1 269982a_100000737611_100000735457 [0,1,0,1,0,0|2,0,0]=4 25042 B13R1.337 CC(=O)CCCNC1CCCCC1 34a_100000182618_100000685027 [0,1,0,1,0,0|1,0,0]=3 25043 B13R1.337 CC(=O)CCCNC1CCCOC1 34a_100000719290_100000685027 [0,1,0,1,0,0|2,0,0]=4 25044 B13R1.337 CC(=O)CCCNC1CCOCC1 34a_100000741149_100000685027 [0,1,0,1,0,0|2,0,0]=4 25045 B13R1.337 CC(=O)CCCNC1CCSCC1 34a_100000748639_100000685027 [0,1,0,1,0,0|2,0,0]=4 25046 B13R1.337 CC(=O)CCCOC1CCCCC1 34a_100000210231_100000685027 [0,1,0,1,0,0|1,0,0]=3 25047 B13R1.337 CC(=O)CCCOC1CCCCC1 34a_100000759063_100000210327 [0,1,0,1,0,0|1,0,0]=3 25048 B13R1.337 CC(=O)CCCOC1CCCCC1 7a_100000210231_100011215641 [0,1,0,1,0,0|1,0,0]=3 25049 B13R1.337 CC(=O)CCCOC1CCCCC1 7a_100000759063_100000210327 [0,1,0,1,0,0|1,0,0]=3 25050 B13R1.337 CC(=O)CCCOC1CCCCO1 1458a_100000070787_100000700653 [0,1,0,1,0,0|2,0,0]=4 25051 B13R1.337 CC(=O)CCCOC1CCCCO1 34a_100000033831_100000685027 [0,1,0,1,0,0|2,0,0]=4 25052 B13R1.337 CC(=O)CCCOC1CCCOC1 34a_100000754041_100000685027 [0,1,0,1,0,0|2,0,0]=4 25053 B13R1.337 CC(=O)CCCOC1CCCOC1 34a_100000759063_100000693364 [0,1,0,1,0,0|2,0,0]=4 25054 B13R1.337 CC(=O)CCCOC1CCCOC1 7a_100000759063_100000693364 [0,1,0,1,0,0|2,0,0]=4 25055 B13R1.337 CC(=O)CCCOC1CCCSC1 7a_100015962668_100011215641 [0,1,0,1,0,0|2,0,0]=4 25056 B13R1.337 CC(=O)CCCOC1CCOCC1 34a_100000744328_100000685027 [0,1,0,1,0,0|2,0,0]=4 25057 B13R1.337 CC(=O)CCCOC1CCOCC1 7a_100000759063_100000686592 [0,1,0,1,0,0|2,0,0]=4 25058 B13R1.337 CC(=O)CCCOC1CCSCC1 34a_100000731022_100000685027 [0,1,0,1,0,0|2,0,0]=4 25059 B13R1.337 CC(=O)CCCOC1CCSCC1 34a_100000759063_100000069128 [0,1,0,1,0,0|2,0,0]=4 25060 B13R1.337 CC(=O)CCCOC1CCSCC1 7a_100000731022_100011215641 [0,1,0,1,0,0|2,0,0]=4 25061 B13R1.337 CC(=O)CCCOC1CCSCC1 7a_100000759063_100011500858 [0,1,0,1,0,0|2,0,0]=4 25062 B13R1.337 CC(=O)CCCSC1CCCCC1 62a_100000210327_100011215641 [0,1,0,1,0,0|1,0,0]=3 25063 B13R1.337 CC(=O)CCCSC1CCCCC1 62a_100011215641_100000210327 [0,1,0,1,0,0|1,0,0]=3 25064 B13R1.337 CC(=O)CCCSC1CCCOC1 62a_100011215641_100000693364 [0,1,0,1,0,0|2,0,0]=4 25065 B13R1.337 CC(=O)CCCSC1CCOCC1 62a_100011215641_100011324220 [0,1,0,1,0,0|2,0,0]=4 25066 B13R1.337 CC(=O)CCCSC1CCSCC1 62a_100011215641_100000069128 [0,1,0,1,0,0|2,0,0]=4 25067 B13R1.337 CC(=O)CCOCC1CCCCC1 34a_100000759926_100000211423 [0,1,0,1,0,0|1,0,0]=3 25068 B13R1.337 CC(=O)CCOCC1CCCCC1 7a_100000212181_100000053229 [0,1,0,1,0,0|1,0,0]=3 25069 B13R1.337 CC(=O)CCOCC1CCCCC1 7a_100000759926_100000211423 [0,1,0,1,0,0|1,0,0]=3 25070 B13R1.337 CC(=O)CCOCC1CCCCO1 34a_100000759926_100000211543 [0,1,0,1,0,0|2,0,0]=4 25071 B13R1.337 CC(=O)CCOCC1CCCCO1 7a_100000211370_100000053229 [0,1,0,1,0,0|2,0,0]=4 25072 B13R1.337 CC(=O)CCOCC1CCCCO1 7a_100000759926_100000211543 [0,1,0,1,0,0|2,0,0]=4 25073 B13R1.337 CC(=O)CCOCC1CCCOC1 34a_100000759926_100000741521 [0,1,0,1,0,0|2,0,0]=4 25074 B13R1.337 CC(=O)CCOCC1CCCOC1 7a_100000759926_100000741521 [0,1,0,1,0,0|2,0,0]=4 25075 B13R1.337 CC(=O)CCOCC1CCOCC1 34a_100000759926_100000754603 [0,1,0,1,0,0|2,0,0]=4 25076 B13R1.337 CC(=O)CCOCC1CCOCC1 7a_100000759926_100000754603 [0,1,0,1,0,0|2,0,0]=4 25077 B13R1.337 CC(=O)CCOCC1CCSCC1 7a_100000070558_100000053229 [0,1,0,1,0,0|2,0,0]=4 25078 B13R1.337 CC(=O)CCSCC1CCCCC1 62a_100000053229_100000211423 [0,1,0,1,0,0|1,0,0]=3 25079 B13R1.337 CC(=O)CCSCC1CCCCC1 62a_100000211423_100000053229 [0,1,0,1,0,0|1,0,0]=3 25080 B13R1.337 CC(=O)CCSCC1CCCCO1 62a_100000053229_100000211543 [0,1,0,1,0,0|2,0,0]=4 25081 B13R1.337 CC(=O)CCSCC1CCCCO1 62a_100000211543_100000053229 [0,1,0,1,0,0|2,0,0]=4 25082 B13R1.337 CC(=O)CCSCC1CCCOC1 62a_100000053229_100000741521 [0,1,0,1,0,0|2,0,0]=4 25083 B13R1.337 CC(=O)CCSCC1CCCOC1 62a_100000741521_100000053229 [0,1,0,1,0,0|2,0,0]=4 25084 B13R1.337 CC(=O)CCSCC1CCOCC1 62a_100000053229_100000749018 [0,1,0,1,0,0|2,0,0]=4 25085 B13R1.337 CC(=O)CCSCC1CCOCC1 62a_100000754603_100000053229 [0,1,0,1,0,0|2,0,0]=4 25086 B13R1.337 CC(=O)COCCC1CCCCC1 34a_100000211253_100011209188 [0,1,0,1,0,0|1,0,0]=3 25087 B13R1.337 CC(=O)COCCC1CCOCC1 34a_100000211253_100011934994 [0,1,0,1,0,0|2,0,0]=4 25088 B13R1.337 CC(=O)COCCN1CCCCC1 34a_100000211253_100000739454 [0,1,0,1,0,0|2,0,0]=4 25089 B13R1.337 CC(=O)COCOC1CCCCC1 34a_100000211253_100011935260 [0,1,0,1,0,0|2,0,0]=4 25090 B13R1.337 CC(=O)NCCCC1CCCCC1 11a_100011211642_100015343762 [0,1,0,1,0,0|1,0,0]=3 25091 B13R1.337 CC(=O)NCCCC1CCCCC1 1626a_100011211642_100015343762 [0,1,0,1,0,0|1,0,0]=3 25092 B13R1.337 CC(=O)NCCCC1CCCCC1 240690a_100011211642_100015343762 [0,1,0,1,0,0|1,0,0]=3 25093 B13R1.337 CC(=O)NCCCC1CCCCC1 527a_100011211642_100103153847 [0,1,0,1,0,0|1,0,0]=3 25094 B13R1.337 CC(=O)NCCCN1CCCCC1 240690a_100000204581_100015343762 [0,1,0,1,0,0|2,0,0]=4 25095 B13R1.337 CC(=O)NCCCN1CCCCC1 527a_100000204581_100103153847 [0,1,0,1,0,0|2,0,0]=4 25096 B13R1.337 CC(=O)NCCNC1CCCCC1 2230a_100000182618_100000189650 [0,1,0,1,0,0|2,0,0]=4 25097 B13R1.337 CC(=O)NCCOC1CCCCC1 11a_100015206981_100015343762 [0,1,0,1,0,0|2,0,0]=4 25098 B13R1.337 CC(=O)NCCOC1CCCCC1 1626a_100015206981_100015343762 [0,1,0,1,0,0|2,0,0]=4 25099 B13R1.337 CC(=O)NCCOC1CCCCC1 240690a_100015206981_100015343762 [0,1,0,1,0,0|2,0,0]=4 25100 B13R1.337 CC(=O)NCCOC1CCCCC1 34a_100000158858_100000210327 [0,1,0,1,0,0|2,0,0]=4 25101 B13R1.337 CC(=O)NCCOC1CCCCC1 527a_100015206981_100103153847 [0,1,0,1,0,0|2,0,0]=4 25102 B13R1.337 CC(=O)NCCOC1CCCCC1 7a_100000210231_100000189650 [0,1,0,1,0,0|2,0,0]=4 25103 B13R1.337 CC(=O)NCCSC1CCCCC1 62a_100000189650_100000210327 [0,1,0,1,0,0|2,0,0]=4 25104 B13R1.337 CC(=O)NCCSC1CCCCC1 62a_100000210327_100000189650 [0,1,0,1,0,0|2,0,0]=4 25105 B13R1.337 CC(=O)OCCNC1CCCCC1 34a_100000182618_100009814007 [0,1,0,1,0,0|2,0,0]=4 25106 B13R1.337 CC(=O)OCCOC1CCCCC1 34a_100000210231_100009814007 [0,1,0,1,0,0|2,0,0]=4 25107 B13R1.337 CC(=O)OCCOC1CCCCC1 7a_100000210231_100009814007 [0,1,0,1,0,0|2,0,0]=4 25108 B13R1.337 CC(=O)OCCSC1CCCCC1 62a_100000210327_100009814007 [0,1,0,1,0,0|2,0,0]=4 25109 B13R1.337 CC(=O)OCCSC1CCCCC1 62a_100009814007_100000210327 [0,1,0,1,0,0|2,0,0]=4 25110 B13R1.337 CC(=O)OCNCC1CCCCC1 34a_100000210473_100009813279 [0,1,0,1,0,0|2,0,0]=4 25111 B13R1.337 CC(=O)OCOCC1CCCCC1 34a_100000212181_100009813279 [0,1,0,1,0,0|2,0,0]=4 25112 B13R1.337 CC(=O)OCSCC1CCCCC1 62a_100000076356_100000211423 [0,1,0,1,0,0|2,0,0]=4 25113 B13R1.337 CC(=O)OCSCC1CCCCC1 62a_100000211423_100000076356 [0,1,0,1,0,0|2,0,0]=4 25114 B13R1.337 CC(C)CCCNC1C=CCCC1 2230a_200000737386_100000751183 [0,1,0,1,0,0|2,0,0]=4 25115 B13R1.337 CC(C)CCCOC1C=CCCC1 34a_100011215024_100011214892 [0,1,0,1,0,0|2,0,0]=4 25116 B13R1.337 CC(C)CCCOC1C=CCCC1 7a_100000210774_100000751183 [0,1,0,1,0,0|2,0,0]=4 25117 B13R1.337 CC(C)CCCSC1C=CCCC1 62a_100000751183_100011214892 [0,1,0,1,0,0|2,0,0]=4 25118 B13R1.337 CC(C)CCCSC1C=CCCC1 62a_100011214892_100000751183 [0,1,0,1,0,0|2,0,0]=4 25119 B13R1.337 CC(O)CCCOC1C=CCCC1 34a_100011215024_200000718107 [0,1,0,1,0,0|2,0,0]=4 25120 B13R1.337 CC(O)CCCSC1C=CCCC1 62a_100000751183_200000718107 [0,1,0,1,0,0|2,0,0]=4 25121 B13R1.337 CC(O)CCCSC1C=CCCC1 62a_200000718107_100000751183 [0,1,0,1,0,0|2,0,0]=4 25122 B13R1.337 CS(=O)CCCNC1CCCCC1 270004a_200000753449_100000210434 [0,1,0,1,0,0|2,0,0]=4 25123 B13R1.337 NC(=O)CCCNC1CCCCC1 34a_100000182618_100102525003 [0,1,0,1,0,0|1,0,0]=3 25124 B13R1.337 NC(=O)CCCNC1CCCCC1 34a_100000739312_100000210327 [0,1,0,1,0,0|1,0,0]=3 25125 B13R1.337 NC(=O)CCCNC1CCCOC1 34a_100000719290_100102525003 [0,1,0,1,0,0|2,0,0]=4 25126 B13R1.337 NC(=O)CCCNC1CCCOC1 34a_100000739312_100000693364 [0,1,0,1,0,0|2,0,0]=4 25127 B13R1.337 NC(=O)CCCNC1CCOCC1 34a_100000741149_100102525003 [0,1,0,1,0,0|2,0,0]=4 25128 B13R1.337 NC(=O)CCCNC1CCSCC1 34a_100000739312_100000069128 [0,1,0,1,0,0|2,0,0]=4 25129 B13R1.337 NC(=O)CCCNC1CCSCC1 34a_100000748639_100102525003 [0,1,0,1,0,0|2,0,0]=4 25130 B13R1.337 NC(=O)CCCOC1CCCCC1 34a_100000210231_100102525003 [0,1,0,1,0,0|1,0,0]=3 25131 B13R1.337 NC(=O)CCCOC1CCCCC1 7a_100000210231_100102525003 [0,1,0,1,0,0|1,0,0]=3 25132 B13R1.337 NC(=O)CCCOC1CCCCO1 34a_100000033831_100102525003 [0,1,0,1,0,0|2,0,0]=4 25133 B13R1.337 NC(=O)CCCOC1CCCOC1 34a_100000754041_100102525003 [0,1,0,1,0,0|2,0,0]=4 25134 B13R1.337 NC(=O)CCCOC1CCCSC1 7a_100015962668_100102525003 [0,1,0,1,0,0|2,0,0]=4 25135 B13R1.337 NC(=O)CCCOC1CCOCC1 34a_100000744328_100102525003 [0,1,0,1,0,0|2,0,0]=4 25136 B13R1.337 NC(=O)CCCOC1CCSCC1 34a_100000731022_100102525003 [0,1,0,1,0,0|2,0,0]=4 25137 B13R1.337 NC(=O)CCCOC1CCSCC1 7a_100000731022_100102525003 [0,1,0,1,0,0|2,0,0]=4 25138 B13R1.337 NC(=O)CCCSC1CCCCC1 62a_100000210327_100102525003 [0,1,0,1,0,0|1,0,0]=3 25139 B13R1.337 NC(=O)CCCSC1CCCCC1 62a_100102525003_100000210327 [0,1,0,1,0,0|1,0,0]=3 25140 B13R1.337 NC(=O)CCCSC1CCCOC1 62a_100102525003_100000693364 [0,1,0,1,0,0|2,0,0]=4 25141 B13R1.337 NC(=O)CCCSC1CCOCC1 62a_100102525003_100011324220 [0,1,0,1,0,0|2,0,0]=4 25142 B13R1.337 NC(=O)CCCSC1CCSCC1 62a_100102525003_100000069128 [0,1,0,1,0,0|2,0,0]=4 25143 B13R1.337 NC(=O)CCNCC1CCCCC1 2230a_100000210473_100000744528 [0,1,0,1,0,0|1,0,0]=3 25144 B13R1.337 NC(=O)CCNCC1CCCCC1 269862a_100000740010_100000211278 [0,1,0,1,0,0|1,0,0]=3 25145 B13R1.337 NC(=O)CCNCC1CCCCC1 34a_100000210473_100000731001 [0,1,0,1,0,0|1,0,0]=3 25146 B13R1.337 NC(=O)CCNCC1CCCCO1 2230a_100000174945_100000744528 [0,1,0,1,0,0|2,0,0]=4 25147 B13R1.337 NC(=O)CCNCC1CCCCO1 34a_100000174945_100000731001 [0,1,0,1,0,0|2,0,0]=4 25148 B13R1.337 NC(=O)CCNCC1CCCOC1 2230a_100000720124_100000744528 [0,1,0,1,0,0|2,0,0]=4 25149 B13R1.337 NC(=O)CCNCC1CCCOC1 34a_100000720124_100000731001 [0,1,0,1,0,0|2,0,0]=4 25150 B13R1.337 NC(=O)CCNCC1CCOCC1 2230a_100000746373_100000744528 [0,1,0,1,0,0|2,0,0]=4 25151 B13R1.337 NC(=O)CCNCC1CCOCC1 269862a_100000740010_100000749017 [0,1,0,1,0,0|2,0,0]=4 25152 B13R1.337 NC(=O)CCNCC1CCOCC1 34a_100000746373_100000731001 [0,1,0,1,0,0|2,0,0]=4 25153 B13R1.337 NC(=O)CCNCC1CCSCC1 2230a_100015188806_100000744528 [0,1,0,1,0,0|2,0,0]=4 25154 B13R1.337 NC(=O)CCNCC1CCSCC1 269862a_100000740010_100000067145 [0,1,0,1,0,0|2,0,0]=4 25155 B13R1.337 NC(=O)CCNCC1CCSCC1 34a_100015188806_100000731001 [0,1,0,1,0,0|2,0,0]=4 25156 B13R1.337 NC(=O)CCOCC1CCCCC1 34a_100000212181_100000731001 [0,1,0,1,0,0|1,0,0]=3 25157 B13R1.337 NC(=O)CCOCC1CCCCC1 34a_100000757172_100000211423 [0,1,0,1,0,0|1,0,0]=3 25158 B13R1.337 NC(=O)CCOCC1CCCCC1 7a_100000212181_100000744528 [0,1,0,1,0,0|1,0,0]=3 25159 B13R1.337 NC(=O)CCOCC1CCCCC1 7a_100000757172_100000211423 [0,1,0,1,0,0|1,0,0]=3 25160 B13R1.337 NC(=O)CCOCC1CCCCN1 34a_100000210821_100000731001 [0,1,0,1,0,0|2,0,0]=4 25161 B13R1.337 NC(=O)CCOCC1CCCCO1 34a_100000211370_100000731001 [0,1,0,1,0,0|2,0,0]=4 25162 B13R1.337 NC(=O)CCOCC1CCCCO1 34a_100000757172_100000211543 [0,1,0,1,0,0|2,0,0]=4 25163 B13R1.337 NC(=O)CCOCC1CCCCO1 7a_100000211370_100000744528 [0,1,0,1,0,0|2,0,0]=4 25164 B13R1.337 NC(=O)CCOCC1CCCCO1 7a_100000757172_100000211543 [0,1,0,1,0,0|2,0,0]=4 25165 B13R1.337 NC(=O)CCOCC1CCCNC1 34a_100000211344_100000731001 [0,1,0,1,0,0|2,0,0]=4 25166 B13R1.337 NC(=O)CCOCC1CCCOC1 34a_100000741520_100000731001 [0,1,0,1,0,0|2,0,0]=4 25167 B13R1.337 NC(=O)CCOCC1CCCOC1 34a_100000757172_100000741521 [0,1,0,1,0,0|2,0,0]=4 25168 B13R1.337 NC(=O)CCOCC1CCCOC1 7a_100000757172_100000741521 [0,1,0,1,0,0|2,0,0]=4 25169 B13R1.337 NC(=O)CCOCC1CCNCC1 34a_100000738675_100000731001 [0,1,0,1,0,0|2,0,0]=4 25170 B13R1.337 NC(=O)CCOCC1CCOCC1 34a_100000749013_100000731001 [0,1,0,1,0,0|2,0,0]=4 25171 B13R1.337 NC(=O)CCOCC1CCOCC1 34a_100000757172_100000754603 [0,1,0,1,0,0|2,0,0]=4 25172 B13R1.337 NC(=O)CCOCC1CCOCC1 7a_100000757172_100000754603 [0,1,0,1,0,0|2,0,0]=4 25173 B13R1.337 NC(=O)CCOCC1CCSCC1 34a_100000070558_100000731001 [0,1,0,1,0,0|2,0,0]=4 25174 B13R1.337 NC(=O)CCOCC1CCSCC1 7a_100000070558_100000744528 [0,1,0,1,0,0|2,0,0]=4 25175 B13R1.337 NC(=O)CCSCC1CCCCC1 62a_100000211423_100000744528 [0,1,0,1,0,0|1,0,0]=3 25176 B13R1.337 NC(=O)CCSCC1CCCCC1 62a_100000744528_100000211423 [0,1,0,1,0,0|1,0,0]=3 25177 B13R1.337 NC(=O)CCSCC1CCCCO1 62a_100000211543_100000744528 [0,1,0,1,0,0|2,0,0]=4 25178 B13R1.337 NC(=O)CCSCC1CCCCO1 62a_100000744528_100000211543 [0,1,0,1,0,0|2,0,0]=4 25179 B13R1.337 NC(=O)CCSCC1CCCOC1 62a_100000741521_100000744528 [0,1,0,1,0,0|2,0,0]=4 25180 B13R1.337 NC(=O)CCSCC1CCCOC1 62a_100000744528_100000741521 [0,1,0,1,0,0|2,0,0]=4 25181 B13R1.337 NC(=O)CCSCC1CCOCC1 62a_100000744528_100000749018 [0,1,0,1,0,0|2,0,0]=4 25182 B13R1.337 NC(=O)CCSCC1CCOCC1 62a_100000754603_100000744528 [0,1,0,1,0,0|2,0,0]=4 25183 B13R1.337 NC(=O)CNCCC1CCCCC1 2230a_100000711301_100012355289 [0,1,0,1,0,0|1,0,0]=3 25184 B13R1.337 NC(=O)CNCCC1CCCCC1 2230a_100000738074_100000747473 [0,1,0,1,0,0|1,0,0]=3 25185 B13R1.337 NC(=O)CNCCC1CCCCC1 34a_100000738074_100000187820 [0,1,0,1,0,0|1,0,0]=3 25186 B13R1.337 NC(=O)CNCCC1CCCCO1 2230a_100015183643_100000747473 [0,1,0,1,0,0|2,0,0]=4 25187 B13R1.337 NC(=O)CNCCC1CCCCO1 34a_100015183643_100000187820 [0,1,0,1,0,0|2,0,0]=4 25188 B13R1.337 NC(=O)CNCCC1CCOCC1 2230a_100000711301_100011934994 [0,1,0,1,0,0|2,0,0]=4 25189 B13R1.337 NC(=O)CNCCC1CCOCC1 2230a_100000755988_100000747473 [0,1,0,1,0,0|2,0,0]=4 25190 B13R1.337 NC(=O)CNCCC1CCOCC1 34a_100000755988_100000187820 [0,1,0,1,0,0|2,0,0]=4 25191 B13R1.337 NC(=O)CNCCN1CCCCC1 2230a_100000711301_100000739454 [0,1,0,1,0,0|2,0,0]=4 25192 B13R1.337 NC(=O)CNCOC1CCCCC1 2230a_100000711301_100011935260 [0,1,0,1,0,0|2,0,0]=4 25193 B13R1.337 NC(=O)COCCC1CCCCC1 34a_100011217863_100000187820 [0,1,0,1,0,0|1,0,0]=3 25194 B13R1.337 NC(=O)COCCC1CCCCC1 7a_100011217863_100000187820 [0,1,0,1,0,0|1,0,0]=3 25195 B13R1.337 NC(=O)COCCC1CCCCN1 34a_100000211664_100000187820 [0,1,0,1,0,0|2,0,0]=4 25196 B13R1.337 NC(=O)COCCC1CCCNC1 34a_100000752241_100000187820 [0,1,0,1,0,0|2,0,0]=4 25197 B13R1.337 NC(=O)COCCC1CCNCC1 34a_100015190746_100000187820 [0,1,0,1,0,0|2,0,0]=4 25198 B13R1.337 NC(=O)COCCC1CCOCC1 34a_100011933979_100000187820 [0,1,0,1,0,0|2,0,0]=4 25199 B13R1.337 NC(=O)COCCC1CCOCC1 7a_100011933979_100000187820 [0,1,0,1,0,0|2,0,0]=4 25200 B13R1.337 NC(=O)CSCCC1CCCCC1 62a_100000747473_100012355289 [0,1,0,1,0,0|1,0,0]=3 25201 B13R1.337 NC(=O)CSCCC1CCCCC1 62a_100012355289_100000747473 [0,1,0,1,0,0|1,0,0]=3 25202 B13R1.337 NC(=O)CSCCC1CCOCC1 62a_100000747473_100011934994 [0,1,0,1,0,0|2,0,0]=4 25203 B13R1.337 NC(=O)CSCCC1CCOCC1 62a_100011934994_100000747473 [0,1,0,1,0,0|2,0,0]=4 25204 B13R1.337 NC(=O)CSCCN1CCCCC1 62a_100000739454_100000747473 [0,1,0,1,0,0|2,0,0]=4 25205 B13R1.337 NC(=O)CSCCN1CCCCC1 62a_100000747473_100000739454 [0,1,0,1,0,0|2,0,0]=4 25206 B13R1.337 NC(=O)CSCOC1CCCCC1 62a_100000747473_100011935260 [0,1,0,1,0,0|2,0,0]=4 25207 B13R1.337 NC(=O)CSCOC1CCCCC1 62a_100011935260_100000747473 [0,1,0,1,0,0|2,0,0]=4 25208 B13R1.337 NC(=O)NCCNC1CCCCC1 2230a_100000182618_200000034859 [0,1,0,1,0,0|2,0,0]=4 25209 B13R1.337 NC(=O)NCCNC1CCCCC1 34a_100020590234_100000210327 [0,1,0,1,0,0|2,0,0]=4 25210 B13R1.337 NC(=O)NCCOC1CCCCC1 34a_100000181757_100000210327 [0,1,0,1,0,0|2,0,0]=4 25211 B13R1.337 NC(=O)NCCOC1CCCCC1 7a_100000210231_200000034859 [0,1,0,1,0,0|2,0,0]=4 25212 B13R1.337 NC(=O)NCCSC1CCCCC1 62a_100000210327_200000034859 [0,1,0,1,0,0|2,0,0]=4 25213 B13R1.337 NC(=O)NCCSC1CCCCC1 62a_200000034859_100000210327 [0,1,0,1,0,0|2,0,0]=4 25214 B13R1.337 NC(=O)OCCNC1CCCCC1 34a_100000182618_200011214921 [0,1,0,1,0,0|2,0,0]=4 25215 B13R1.337 NC(=O)OCCOC1CCCCC1 34a_100000210231_200011214921 [0,1,0,1,0,0|2,0,0]=4 25216 B13R1.337 NC(=O)OCCOC1CCCCC1 7a_100000210231_200011214921 [0,1,0,1,0,0|2,0,0]=4 25217 B13R1.337 NC(=O)OCCOC1CCCCC1 7a_100000766696_100000210327 [0,1,0,1,0,0|2,0,0]=4 25218 B13R1.337 NC(=O)OCCSC1CCCCC1 62a_100000210327_200011214921 [0,1,0,1,0,0|2,0,0]=4 25219 B13R1.337 NC(=O)OCCSC1CCCCC1 62a_200011214921_100000210327 [0,1,0,1,0,0|2,0,0]=4 25220 B13R1.337 O=C(O)CNCCC1CCCCC1 269956a_100016091260_100011273959 [0,1,0,1,0,0|1,0,0]=3 25221 B13R1.337 O=C(O)CNCCC1CCOCC1 269956a_100016091260_100011934994 [0,1,0,1,0,0|2,0,0]=4 25222 B13R1.337 O=C(O)CNCCN1CCCCC1 269956a_100016091260_100000739454 [0,1,0,1,0,0|2,0,0]=4 25223 B13R1.337 O=C(O)CNCOC1CCCCC1 269956a_100016091260_100011935260 [0,1,0,1,0,0|2,0,0]=4 25224 B13R1.337 O=C(O)CONCC1CCCCC1 269956a_100000106656_100000211423 [0,1,0,1,0,0|2,0,0]=4 25225 B13R1.337 O=C([O-])CNCCC1CCCCC1 34a_100000738074_100020667443 [0,1,0,1,0,0|1,0,0]=3 25226 B13R1.337 O=C([O-])CNCCC1CCCCO1 34a_100015183643_100020667443 [0,1,0,1,0,0|2,0,0]=4 25227 B13R1.337 O=C([O-])CNCCC1CCOCC1 34a_100000755988_100020667443 [0,1,0,1,0,0|2,0,0]=4 25228 B13R1.337 O=C([O-])COCCC1CCCCC1 34a_100011217863_100020667443 [0,1,0,1,0,0|1,0,0]=3 25229 B13R1.337 O=C([O-])COCCC1CCCCN1 34a_100000211664_100020667443 [0,1,0,1,0,0|2,0,0]=4 25230 B13R1.337 O=C([O-])COCCC1CCCNC1 34a_100000752241_100020667443 [0,1,0,1,0,0|2,0,0]=4 25231 B13R1.337 O=C([O-])COCCC1CCNCC1 34a_100015190746_100020667443 [0,1,0,1,0,0|2,0,0]=4 25232 B13R1.337 O=C([O-])COCCC1CCOCC1 34a_100011933979_100020667443 [0,1,0,1,0,0|2,0,0]=4 25233 B13R1.337 O=C([O-])CSCCC1CCCCC1 62a_100012355289_100020667443 [0,1,0,1,0,0|1,0,0]=3 25234 B13R1.337 O=C([O-])CSCCC1CCCCC1 62a_100020667443_100012355289 [0,1,0,1,0,0|1,0,0]=3 25235 B13R1.337 O=C([O-])CSCCC1CCOCC1 62a_100011934994_100020667443 [0,1,0,1,0,0|2,0,0]=4 25236 B13R1.337 O=C([O-])CSCCC1CCOCC1 62a_100020667443_100011934994 [0,1,0,1,0,0|2,0,0]=4 25237 B13R1.337 O=C([O-])CSCCN1CCCCC1 62a_100000739454_100020667443 [0,1,0,1,0,0|2,0,0]=4 25238 B13R1.337 O=C([O-])CSCCN1CCCCC1 62a_100020667443_100000739454 [0,1,0,1,0,0|2,0,0]=4 25239 B13R1.337 O=C([O-])CSCOC1CCCCC1 62a_100011935260_100020667443 [0,1,0,1,0,0|2,0,0]=4 25240 B13R1.337 O=C([O-])CSCOC1CCCCC1 62a_100020667443_100011935260 [0,1,0,1,0,0|2,0,0]=4 25241 B13R1.337 O=[N+]([O-])CCCOC1CCCCC1 34a_200000037920_100000210327 [0,1,0,1,0,0|2,0,0]=4 25242 B13R1.337 O=[N+]([O-])CNCCC1CCCCC1 34a_100000738074_100000761209 [0,1,0,1,0,0|2,0,0]=4 25243 B13R1.337 O=[N+]([O-])COCCC1CCCCC1 34a_100011217863_100000761209 [0,1,0,1,0,0|2,0,0]=4 25244 B13R1.337 O=[N+]([O-])CSCCC1CCCCC1 62a_100012355289_100000761209 [0,1,0,1,0,0|2,0,0]=4 25245 B13R1.337 [13CH3]C(=O)CCCCC1CCCCC1 1458a_200011215547_200025704644 [0,1,0,1,0,0|0,0,0]=2 25246 B13R1.337 [13CH3]C(=O)CCCCN1CCCCC1 1458a_100000754417_200025704644 [0,1,0,1,0,0|1,0,0]=3 25247 B13R1.343 C=C(Br)CCOCCC1CCCC1 34a_100009813270_100000760354 [0,1,0,1,0,0|2,0,0]=4 25248 B13R1.343 C=C(C)CCNCCC1CCCC1 2230a_100000739158_100000730704 [0,1,0,1,0,0|2,0,0]=4 25249 B13R1.343 C=C(C)CCNCCC1CCCC1 34a_100000739158_100000730704 [0,1,0,1,0,0|2,0,0]=4 25250 B13R1.343 C=C(C)CCOCCC1CCCC1 34a_100000749090_100000730704 [0,1,0,1,0,0|2,0,0]=4 25251 B13R1.343 C=C(C)CCOCCC1CCCC1 34a_100000764851_100000760354 [0,1,0,1,0,0|2,0,0]=4 25252 B13R1.343 C=C(C)CCOCCC1CCCC1 7a_100000749090_100000730704 [0,1,0,1,0,0|2,0,0]=4 25253 B13R1.343 C=C(C)CCSCCC1CCCC1 62a_100000730704_100000760354 [0,1,0,1,0,0|2,0,0]=4 25254 B13R1.343 C=C(C)CCSCCC1CCCC1 62a_100000760354_100000730704 [0,1,0,1,0,0|2,0,0]=4 25255 B13R1.343 C=C(C)CNCCCC1CCCC1 2230a_100000736752_100000748629 [0,1,0,1,0,0|2,0,0]=4 25256 B13R1.343 C=C(C)CNCCCC1CCCC1 34a_100000736752_100000748629 [0,1,0,1,0,0|2,0,0]=4 25257 B13R1.343 C=C(C)COCCCC1CCCC1 34a_100000210245_100011713738 [0,1,0,1,0,0|2,0,0]=4 25258 B13R1.343 C=C(C)COCCCC1CCCC1 34a_100011215328_100000748629 [0,1,0,1,0,0|2,0,0]=4 25259 B13R1.343 C=C(C)COCCCC1CCCC1 7a_100011215328_100000748629 [0,1,0,1,0,0|2,0,0]=4 25260 B13R1.343 C=C(C)CSCCCC1CCCC1 62a_100000748629_100011713738 [0,1,0,1,0,0|2,0,0]=4 25261 B13R1.343 C=C(C)CSCCCC1CCCC1 62a_100011713738_100000211660 [0,1,0,1,0,0|2,0,0]=4 25262 B13R1.343 C=C(F)CNCCCC1CCCC1 2230a_100000736752_100009893438 [0,1,0,1,0,0|2,0,0]=4 25263 B13R1.343 C=C(F)CNCCCC1CCCC1 34a_100000736752_100009893438 [0,1,0,1,0,0|2,0,0]=4 25264 B13R1.343 C=C(F)COCCCC1CCCC1 34a_100011215328_100009893438 [0,1,0,1,0,0|2,0,0]=4 25265 B13R1.343 C=C(F)COCCCC1CCCC1 34a_200010262243_100011713738 [0,1,0,1,0,0|2,0,0]=4 25266 B13R1.343 C=C(F)COCCCC1CCCC1 7a_100011215328_100000042424 [0,1,0,1,0,0|2,0,0]=4 25267 B13R1.343 C=C(F)CSCCCC1CCCC1 62a_100000042424_100011713738 [0,1,0,1,0,0|2,0,0]=4 25268 B13R1.343 C=C(F)CSCCCC1CCCC1 62a_100011713738_100000042424 [0,1,0,1,0,0|2,0,0]=4 25269 B13R1.343 CC(=O)CCCCNC1CCCC1 34a_100000211070_100009817362 [0,1,0,1,0,0|1,0,0]=3 25270 B13R1.343 CC(=O)CCCCN[C@H]1CCOC1 34a_100015188467_100009817362 [0,1,0,1,0,0|2,0,0]=4 25271 B13R1.343 CC(=O)CCCCOC1CCCC1 34a_100000210269_100009817362 [0,1,0,1,0,0|1,0,0]=3 25272 B13R1.343 CC(=O)CCCCOC1CCCC1 7a_100000210269_100000735457 [0,1,0,1,0,0|1,0,0]=3 25273 B13R1.343 CC(=O)CCCCOC1CCCO1 34a_100000085407_100009817362 [0,1,0,1,0,0|2,0,0]=4 25274 B13R1.343 CC(=O)CCCCOC1CCSC1 7a_100011232664_100000735457 [0,1,0,1,0,0|2,0,0]=4 25275 B13R1.343 CC(=O)CCCCO[C@H]1CCOC1 34a_100000717292_100009817362 [0,1,0,1,0,0|2,0,0]=4 25276 B13R1.343 CC(=O)CCCCSC1CCCC1 62a_100000735457_100000179811 [0,1,0,1,0,0|1,0,0]=3 25277 B13R1.343 CC(=O)CCCCSC1CCCC1 62a_100011217020_100000735457 [0,1,0,1,0,0|1,0,0]=3 25278 B13R1.343 CC(=O)CCCCSC1CCOC1 62a_100000735457_100000690089 [0,1,0,1,0,0|2,0,0]=4 25279 B13R1.343 CC(=O)CCCNCC1CCCC1 34a_100000737975_100000685027 [0,1,0,1,0,0|1,0,0]=3 25280 B13R1.343 CC(=O)CCCNCC1CCOC1 34a_100000737293_100000685027 [0,1,0,1,0,0|2,0,0]=4 25281 B13R1.343 CC(=O)CCCNC[C@@H]1CCCO1 34a_100020590478_100000685027 [0,1,0,1,0,0|2,0,0]=4 25282 B13R1.343 CC(=O)CCCOCC1CCCC1 34a_100000742336_100000685027 [0,1,0,1,0,0|1,0,0]=3 25283 B13R1.343 CC(=O)CCCOCC1CCCC1 34a_100000759063_100000740388 [0,1,0,1,0,0|1,0,0]=3 25284 B13R1.343 CC(=O)CCCOCC1CCCC1 7a_100000742336_100011215641 [0,1,0,1,0,0|1,0,0]=3 25285 B13R1.343 CC(=O)CCCOCC1CCCC1 7a_100000759063_100000740388 [0,1,0,1,0,0|1,0,0]=3 25286 B13R1.343 CC(=O)CCCOCC1CCCO1 34a_100000210270_100000685027 [0,1,0,1,0,0|2,0,0]=4 25287 B13R1.343 CC(=O)CCCOCC1CCCO1 7a_100000210270_100011215641 [0,1,0,1,0,0|2,0,0]=4 25288 B13R1.343 CC(=O)CCCOCC1CCCO1 7a_100000759063_100000203698 [0,1,0,1,0,0|2,0,0]=4 25289 B13R1.343 CC(=O)CCCOCC1CCNC1 34a_100000748654_100000685027 [0,1,0,1,0,0|2,0,0]=4 25290 B13R1.343 CC(=O)CCCOCC1CCOC1 34a_100000740260_100000685027 [0,1,0,1,0,0|2,0,0]=4 25291 B13R1.343 CC(=O)CCCOCC1CCOC1 34a_100000759063_100011261433 [0,1,0,1,0,0|2,0,0]=4 25292 B13R1.343 CC(=O)CCCOCC1CCOC1 7a_100000759063_100000702531 [0,1,0,1,0,0|2,0,0]=4 25293 B13R1.343 CC(=O)CCCOC[C@H]1CCCN1 34a_100000745186_100000685027 [0,1,0,1,0,0|2,0,0]=4 25294 B13R1.343 CC(=O)CCCSCC1CCCC1 62a_100000740388_100011215641 [0,1,0,1,0,0|1,0,0]=3 25295 B13R1.343 CC(=O)CCCSCC1CCCC1 62a_100011215641_100000740388 [0,1,0,1,0,0|1,0,0]=3 25296 B13R1.343 CC(=O)CCCSCC1CCCO1 62a_100000203698_100011215641 [0,1,0,1,0,0|2,0,0]=4 25297 B13R1.343 CC(=O)CCCSCC1CCCO1 62a_100011215641_100000203698 [0,1,0,1,0,0|2,0,0]=4 25298 B13R1.343 CC(=O)CCCSCC1CCOC1 62a_100000702531_100011215641 [0,1,0,1,0,0|2,0,0]=4 25299 B13R1.343 CC(=O)CCCSCC1CCOC1 62a_100011215641_100000702531 [0,1,0,1,0,0|2,0,0]=4 25300 B13R1.343 CC(=O)CCOCCC1CCCC1 34a_100000759926_100000760354 [0,1,0,1,0,0|1,0,0]=3 25301 B13R1.343 CC(=O)CCOCCC1CCCC1 7a_100000749090_100000053229 [0,1,0,1,0,0|1,0,0]=3 25302 B13R1.343 CC(=O)CCOCCC1CCCC1 7a_100000759926_100000760354 [0,1,0,1,0,0|1,0,0]=3 25303 B13R1.343 CC(=O)CCOCCN1CCCC1 7a_100000759926_100000004467 [0,1,0,1,0,0|2,0,0]=4 25304 B13R1.343 CC(=O)CCSCCC1CCCC1 62a_100000053229_100000760354 [0,1,0,1,0,0|1,0,0]=3 25305 B13R1.343 CC(=O)CCSCCC1CCCC1 62a_100000760354_100000053229 [0,1,0,1,0,0|1,0,0]=3 25306 B13R1.343 CC(=O)CCSCCN1CCCC1 62a_100000053229_100000004467 [0,1,0,1,0,0|2,0,0]=4 25307 B13R1.343 CC(=O)CCSCCN1CCCC1 62a_100000700749_100000053229 [0,1,0,1,0,0|2,0,0]=4 25308 B13R1.343 CC(=O)COCCCC1CCCC1 34a_100000211253_100011713738 [0,1,0,1,0,0|1,0,0]=3 25309 B13R1.343 CC(=O)COCCCN1CCCC1 34a_100000211253_100016991639 [0,1,0,1,0,0|2,0,0]=4 25310 B13R1.343 CC(=O)NCCCCN1CCCC1 1626a_100000740493_100015343762 [0,1,0,1,0,0|2,0,0]=4 25311 B13R1.343 CC(=O)NCCCCN1CCCC1 240690a_100000740493_100015343762 [0,1,0,1,0,0|2,0,0]=4 25312 B13R1.343 CC(=O)NCCCNC1CCCC1 270004a_100000736810_100000210133 [0,1,0,1,0,0|2,0,0]=4 25313 B13R1.343 CC(=O)NCCCNC1CCCC1 34a_100000736810_100000179811 [0,1,0,1,0,0|2,0,0]=4 25314 B13R1.343 CC(=O)NCCCOC1CCCC1 11a_100000747560_100015343762 [0,1,0,1,0,0|2,0,0]=4 25315 B13R1.343 CC(=O)NCCCOC1CCCC1 1626a_100000747560_100015343762 [0,1,0,1,0,0|2,0,0]=4 25316 B13R1.343 CC(=O)NCCCOC1CCCC1 240690a_100000747560_100015343762 [0,1,0,1,0,0|2,0,0]=4 25317 B13R1.343 CC(=O)NCCCOC1CCCC1 34a_100000752032_100000179811 [0,1,0,1,0,0|2,0,0]=4 25318 B13R1.343 CC(=O)NCCCOC1CCCC1 527a_100000747560_100103153847 [0,1,0,1,0,0|2,0,0]=4 25319 B13R1.343 CC(=O)NCCNCC1CCCC1 2230a_100000209853_100000740388 [0,1,0,1,0,0|2,0,0]=4 25320 B13R1.343 CC(=O)NCCNCC1CCCC1 2230a_100000737975_100000189650 [0,1,0,1,0,0|2,0,0]=4 25321 B13R1.343 CC(=O)NCCNCC1CCCC1 269862a_100000209853_100000746403 [0,1,0,1,0,0|2,0,0]=4 25322 B13R1.343 CC(=O)NCCOCC1CCCC1 34a_100000158858_100000740388 [0,1,0,1,0,0|2,0,0]=4 25323 B13R1.343 CC(=O)NCCOCC1CCCC1 7a_100000742336_100000189650 [0,1,0,1,0,0|2,0,0]=4 25324 B13R1.343 CC(=O)NCCSCC1CCCC1 62a_100000189650_100000740388 [0,1,0,1,0,0|2,0,0]=4 25325 B13R1.343 CC(=O)NCCSCC1CCCC1 62a_100000740388_100000189650 [0,1,0,1,0,0|2,0,0]=4 25326 B13R1.343 CC(=O)OCCCCN1CCCC1 269982a_100000188435_100000033659 [0,1,0,1,0,0|2,0,0]=4 25327 B13R1.343 CC(=O)OCCCNC1CCCC1 34a_100000211070_100000042594 [0,1,0,1,0,0|2,0,0]=4 25328 B13R1.343 CC(=O)OCCCOC1CCCC1 34a_100000210269_100000042594 [0,1,0,1,0,0|2,0,0]=4 25329 B13R1.343 CC(=O)OCCCOC1CCCC1 7a_100000210269_100000042594 [0,1,0,1,0,0|2,0,0]=4 25330 B13R1.343 CC(=O)OCCCSC1CCCC1 62a_100000042594_100000179811 [0,1,0,1,0,0|2,0,0]=4 25331 B13R1.343 CC(=O)OCCCSC1CCCC1 62a_100011217020_100000042594 [0,1,0,1,0,0|2,0,0]=4 25332 B13R1.343 CC(=O)OCCNCC1CCCC1 34a_100000737975_100009814007 [0,1,0,1,0,0|2,0,0]=4 25333 B13R1.343 CC(=O)OCCOCC1CCCC1 34a_100000742336_100009814007 [0,1,0,1,0,0|2,0,0]=4 25334 B13R1.343 CC(=O)OCCOCC1CCCC1 7a_100000742336_100009814007 [0,1,0,1,0,0|2,0,0]=4 25335 B13R1.343 CC(=O)OCCSCC1CCCC1 62a_100000740388_100009814007 [0,1,0,1,0,0|2,0,0]=4 25336 B13R1.343 CC(=O)OCCSCC1CCCC1 62a_100009814007_100000740388 [0,1,0,1,0,0|2,0,0]=4 25337 B13R1.343 CC(=O)OCNCCC1CCCC1 34a_100000739158_100009813279 [0,1,0,1,0,0|2,0,0]=4 25338 B13R1.343 CC(=O)OCOCCC1CCCC1 34a_100000749090_100009813279 [0,1,0,1,0,0|2,0,0]=4 25339 B13R1.343 CC(=O)OCSCCC1CCCC1 62a_100000076356_100000760354 [0,1,0,1,0,0|2,0,0]=4 25340 B13R1.343 CC(=O)OCSCCC1CCCC1 62a_100000760354_100000076356 [0,1,0,1,0,0|2,0,0]=4 25341 B13R1.343 CC(=O)SCCCCN1CCCC1 2230a_100000188435_200010402107 [0,1,0,1,0,0|2,0,0]=4 25342 B13R1.343 CC(=O)SCCCCN1CCCC1 269982a_100000188435_200010402107 [0,1,0,1,0,0|2,0,0]=4 25343 B13R1.343 CC(=O)SCCCNC1CCCC1 2230a_100000211070_100000038929 [0,1,0,1,0,0|2,0,0]=4 25344 B13R1.343 CC(=O)SCCCNC1CCCC1 34a_100000211070_100000038929 [0,1,0,1,0,0|2,0,0]=4 25345 B13R1.343 CC(=O)SCCCOC1CCCC1 34a_100000210269_100000038929 [0,1,0,1,0,0|2,0,0]=4 25346 B13R1.343 CC(=O)SCCCOC1CCCC1 7a_100000210269_100000038929 [0,1,0,1,0,0|2,0,0]=4 25347 B13R1.343 CC(=O)SCCCSC1CCCC1 62a_100000038929_100000179811 [0,1,0,1,0,0|2,0,0]=4 25348 B13R1.343 CC(=O)SCCCSC1CCCC1 62a_100011217020_100000038929 [0,1,0,1,0,0|2,0,0]=4 25349 B13R1.343 CC(=O)SCCNCC1CCCC1 269862a_100020647217_100000746403 [0,1,0,1,0,0|2,0,0]=4 25350 B13R1.343 CS(=O)CCCNCC1CCCC1 2230a_200000753449_100000740388 [0,1,0,1,0,0|2,0,0]=4 25351 B13R1.343 NC(=O)CCCCCN1CCCC1 2230a_100000188435_100009817443 [0,1,0,1,0,0|1,0,0]=3 25352 B13R1.343 NC(=O)CCCCCN1CCCC1 269982a_100000188435_100009817443 [0,1,0,1,0,0|1,0,0]=3 25353 B13R1.343 NC(=O)CCCCCN1CCSC1 2230a_100011215254_100009817443 [0,1,0,1,0,0|2,0,0]=4 25354 B13R1.343 NC(=O)CCCCCN1CCSC1 269982a_100011215254_100009817443 [0,1,0,1,0,0|2,0,0]=4 25355 B13R1.343 NC(=O)CCCCNC1CCCC1 270004a_100000696515_100000210133 [0,1,0,1,0,0|1,0,0]=3 25356 B13R1.343 NC(=O)CCCCNC1CCCC1 34a_100000696515_100000179811 [0,1,0,1,0,0|1,0,0]=3 25357 B13R1.343 NC(=O)CCCCNC1CCOC1 270004a_100000696515_100000752484 [0,1,0,1,0,0|2,0,0]=4 25358 B13R1.343 NC(=O)CCCCNC1CCOC1 34a_100000696515_100000690089 [0,1,0,1,0,0|2,0,0]=4 25359 B13R1.343 NC(=O)CCCCNC1CCSC1 270004a_100000696515_100000212027 [0,1,0,1,0,0|2,0,0]=4 25360 B13R1.343 NC(=O)CCCCOC1CCCC1 34a_100012022536_100000179811 [0,1,0,1,0,0|1,0,0]=3 25361 B13R1.343 NC(=O)CCCCOC1CCCC1 7a_100012022536_100000179811 [0,1,0,1,0,0|1,0,0]=3 25362 B13R1.343 NC(=O)CCCCOC1CCOC1 34a_100012022536_100000690089 [0,1,0,1,0,0|2,0,0]=4 25363 B13R1.343 NC(=O)CCCCOC1CCOC1 7a_100012022536_100000731011 [0,1,0,1,0,0|2,0,0]=4 25364 B13R1.343 NC(=O)CCCNCC1CCCC1 269862a_100000739312_100000746403 [0,1,0,1,0,0|1,0,0]=3 25365 B13R1.343 NC(=O)CCCNCC1CCCC1 34a_100000737975_100102525003 [0,1,0,1,0,0|1,0,0]=3 25366 B13R1.343 NC(=O)CCCNCC1CCCC1 34a_100000739312_100000740388 [0,1,0,1,0,0|1,0,0]=3 25367 B13R1.343 NC(=O)CCCNCC1CCOC1 34a_100000737293_100102525003 [0,1,0,1,0,0|2,0,0]=4 25368 B13R1.343 NC(=O)CCCNCC1CCOC1 34a_100000739312_100011261433 [0,1,0,1,0,0|2,0,0]=4 25369 B13R1.343 NC(=O)CCCNC[C@@H]1CCCO1 34a_100020590478_100102525003 [0,1,0,1,0,0|2,0,0]=4 25370 B13R1.343 NC(=O)CCCOCC1CCCC1 34a_100000742336_100102525003 [0,1,0,1,0,0|1,0,0]=3 25371 B13R1.343 NC(=O)CCCOCC1CCCC1 7a_100000742336_100102525003 [0,1,0,1,0,0|1,0,0]=3 25372 B13R1.343 NC(=O)CCCOCC1CCCO1 34a_100000210270_100102525003 [0,1,0,1,0,0|2,0,0]=4 25373 B13R1.343 NC(=O)CCCOCC1CCCO1 7a_100000210270_100102525003 [0,1,0,1,0,0|2,0,0]=4 25374 B13R1.343 NC(=O)CCCOCC1CCNC1 34a_100000748654_100102525003 [0,1,0,1,0,0|2,0,0]=4 25375 B13R1.343 NC(=O)CCCOCC1CCOC1 34a_100000740260_100102525003 [0,1,0,1,0,0|2,0,0]=4 25376 B13R1.343 NC(=O)CCCOC[C@H]1CCCN1 34a_100000745186_100102525003 [0,1,0,1,0,0|2,0,0]=4 25377 B13R1.343 NC(=O)CCCSCC1CCCC1 62a_100000740388_100102525003 [0,1,0,1,0,0|1,0,0]=3 25378 B13R1.343 NC(=O)CCCSCC1CCCC1 62a_100102525003_100000740388 [0,1,0,1,0,0|1,0,0]=3 25379 B13R1.343 NC(=O)CCCSCC1CCCO1 62a_100000203698_100102525003 [0,1,0,1,0,0|2,0,0]=4 25380 B13R1.343 NC(=O)CCCSCC1CCCO1 62a_100102525003_100000203698 [0,1,0,1,0,0|2,0,0]=4 25381 B13R1.343 NC(=O)CCCSCC1CCOC1 62a_100000702531_100102525003 [0,1,0,1,0,0|2,0,0]=4 25382 B13R1.343 NC(=O)CCCSCC1CCOC1 62a_100102525003_100000702531 [0,1,0,1,0,0|2,0,0]=4 25383 B13R1.343 NC(=O)CCNCCC1CCCC1 2230a_100000739158_100000744528 [0,1,0,1,0,0|1,0,0]=3 25384 B13R1.343 NC(=O)CCNCCC1CCCC1 34a_100000739158_100000731001 [0,1,0,1,0,0|1,0,0]=3 25385 B13R1.343 NC(=O)CCOCCC1CCCC1 34a_100000749090_100000731001 [0,1,0,1,0,0|1,0,0]=3 25386 B13R1.343 NC(=O)CCOCCC1CCCC1 34a_100000757172_100000760354 [0,1,0,1,0,0|1,0,0]=3 25387 B13R1.343 NC(=O)CCOCCC1CCCC1 7a_100000749090_100000744528 [0,1,0,1,0,0|1,0,0]=3 25388 B13R1.343 NC(=O)CCOCCC1CCCC1 7a_100000757172_100000760354 [0,1,0,1,0,0|1,0,0]=3 25389 B13R1.343 NC(=O)CCOCCC1CCNC1 34a_100016987287_100000731001 [0,1,0,1,0,0|2,0,0]=4 25390 B13R1.343 NC(=O)CCOCCC1CCOC1 34a_100011879284_100000731001 [0,1,0,1,0,0|2,0,0]=4 25391 B13R1.343 NC(=O)CCOCCN1CCCC1 7a_100000757172_100000004467 [0,1,0,1,0,0|2,0,0]=4 25392 B13R1.343 NC(=O)CCSCCC1CCCC1 62a_100000744528_100000760354 [0,1,0,1,0,0|1,0,0]=3 25393 B13R1.343 NC(=O)CCSCCC1CCCC1 62a_100000760354_100000744528 [0,1,0,1,0,0|1,0,0]=3 25394 B13R1.343 NC(=O)CCSCCN1CCCC1 62a_100000700749_100000744528 [0,1,0,1,0,0|2,0,0]=4 25395 B13R1.343 NC(=O)CCSCCN1CCCC1 62a_100000744528_100000004467 [0,1,0,1,0,0|2,0,0]=4 25396 B13R1.343 NC(=O)CNCCCC1CCCC1 2230a_100000711301_100011713738 [0,1,0,1,0,0|1,0,0]=3 25397 B13R1.343 NC(=O)CNCCCC1CCCC1 2230a_100000736752_100000747473 [0,1,0,1,0,0|1,0,0]=3 25398 B13R1.343 NC(=O)CNCCCC1CCCC1 34a_100000736752_100000187820 [0,1,0,1,0,0|1,0,0]=3 25399 B13R1.343 NC(=O)CNCCCN1CCCC1 2230a_100000711301_100011445909 [0,1,0,1,0,0|2,0,0]=4 25400 B13R1.343 NC(=O)CNCCOC1CCCC1 34a_100000741755_100000187820 [0,1,0,1,0,0|2,0,0]=4 25401 B13R1.343 NC(=O)COCCCC1CCCC1 34a_100011215328_100000187820 [0,1,0,1,0,0|1,0,0]=3 25402 B13R1.343 NC(=O)COCCCC1CCCC1 7a_100011215328_100000187820 [0,1,0,1,0,0|1,0,0]=3 25403 B13R1.343 NC(=O)COCCNC1CCCC1 2230a_100000211070_100000076697 [0,1,0,1,0,0|2,0,0]=4 25404 B13R1.343 NC(=O)COCCNC1CCCC1 34a_100000211070_100000076697 [0,1,0,1,0,0|2,0,0]=4 25405 B13R1.343 NC(=O)COCCNC1CCCC1 34a_200000200444_100000187820 [0,1,0,1,0,0|2,0,0]=4 25406 B13R1.343 NC(=O)COCCOC1CCCC1 34a_100000210269_100000076697 [0,1,0,1,0,0|2,0,0]=4 25407 B13R1.343 NC(=O)COCCOC1CCCC1 34a_100000738311_100000187820 [0,1,0,1,0,0|2,0,0]=4 25408 B13R1.343 NC(=O)COCCOC1CCCC1 7a_100000210269_100000076697 [0,1,0,1,0,0|2,0,0]=4 25409 B13R1.343 NC(=O)COCCOC1CCCC1 7a_100000738311_100000187820 [0,1,0,1,0,0|2,0,0]=4 25410 B13R1.343 NC(=O)COCCSC1CCCC1 62a_100000076697_100000179811 [0,1,0,1,0,0|2,0,0]=4 25411 B13R1.343 NC(=O)COCCSC1CCCC1 62a_100011217020_100000076697 [0,1,0,1,0,0|2,0,0]=4 25412 B13R1.343 NC(=O)CSCCCC1CCCC1 62a_100000747473_100011713738 [0,1,0,1,0,0|1,0,0]=3 25413 B13R1.343 NC(=O)CSCCCC1CCCC1 62a_100011713738_100000747473 [0,1,0,1,0,0|1,0,0]=3 25414 B13R1.343 NC(=O)CSCCCN1CCCC1 62a_100000747473_100011445909 [0,1,0,1,0,0|2,0,0]=4 25415 B13R1.343 NC(=O)CSCCCN1CCCC1 62a_100016991639_100000747473 [0,1,0,1,0,0|2,0,0]=4 25416 B13R1.343 NC(=O)NCCNCC1CCCC1 2230a_100000737975_200000034859 [0,1,0,1,0,0|2,0,0]=4 25417 B13R1.343 NC(=O)NCCNCC1CCCC1 269862a_100020590234_100000746403 [0,1,0,1,0,0|2,0,0]=4 25418 B13R1.343 NC(=O)NCCNCC1CCCC1 34a_100020590234_100000740388 [0,1,0,1,0,0|2,0,0]=4 25419 B13R1.343 NC(=O)NCCOCC1CCCC1 34a_100000181757_100000740388 [0,1,0,1,0,0|2,0,0]=4 25420 B13R1.343 NC(=O)NCCOCC1CCCC1 7a_100000742336_200000034859 [0,1,0,1,0,0|2,0,0]=4 25421 B13R1.343 NC(=O)NCCSCC1CCCC1 62a_100000740388_200000034859 [0,1,0,1,0,0|2,0,0]=4 25422 B13R1.343 NC(=O)NCCSCC1CCCC1 62a_200000034859_100000740388 [0,1,0,1,0,0|2,0,0]=4 25423 B13R1.343 NC(=O)OCCNCC1CCCC1 34a_100000737975_200011214921 [0,1,0,1,0,0|2,0,0]=4 25424 B13R1.343 NC(=O)OCCOCC1CCCC1 34a_100000742336_200011214921 [0,1,0,1,0,0|2,0,0]=4 25425 B13R1.343 NC(=O)OCCOCC1CCCC1 7a_100000742336_200011214921 [0,1,0,1,0,0|2,0,0]=4 25426 B13R1.343 NC(=O)OCCOCC1CCCC1 7a_100000766696_100000740388 [0,1,0,1,0,0|2,0,0]=4 25427 B13R1.343 NC(=O)OCCSCC1CCCC1 62a_100000740388_200011214921 [0,1,0,1,0,0|2,0,0]=4 25428 B13R1.343 NC(=O)OCCSCC1CCCC1 62a_200011214921_100000740388 [0,1,0,1,0,0|2,0,0]=4 25429 B13R1.343 O=C(O)CNCCCC1CCCC1 269956a_100016091260_100011713738 [0,1,0,1,0,0|1,0,0]=3 25430 B13R1.343 O=C(O)CNCCCN1CCCC1 269956a_100016091260_100011445909 [0,1,0,1,0,0|2,0,0]=4 25431 B13R1.343 O=C(O)COCCNC1CCCC1 269956a_100000700818_100000179811 [0,1,0,1,0,0|2,0,0]=4 25432 B13R1.343 O=C(O)CONCCC1CCCC1 269956a_100000106656_100000760354 [0,1,0,1,0,0|2,0,0]=4 25433 B13R1.343 O=C([O-])CNCCCC1CCCC1 34a_100000736752_100020667443 [0,1,0,1,0,0|1,0,0]=3 25434 B13R1.343 O=C([O-])CNCCOC1CCCC1 34a_100000741755_100020667443 [0,1,0,1,0,0|2,0,0]=4 25435 B13R1.343 O=C([O-])COCCCC1CCCC1 34a_100011215328_100020667443 [0,1,0,1,0,0|1,0,0]=3 25436 B13R1.343 O=C([O-])COCCNC1CCCC1 34a_200000200444_100020667443 [0,1,0,1,0,0|2,0,0]=4 25437 B13R1.343 O=C([O-])COCCOC1CCCC1 34a_100000738311_100020667443 [0,1,0,1,0,0|2,0,0]=4 25438 B13R1.343 O=C([O-])CSCCCC1CCCC1 62a_100011713738_100020667443 [0,1,0,1,0,0|1,0,0]=3 25439 B13R1.343 O=C([O-])CSCCCC1CCCC1 62a_100020667443_100011713738 [0,1,0,1,0,0|1,0,0]=3 25440 B13R1.343 O=C([O-])CSCCCN1CCCC1 62a_100016991639_100020667443 [0,1,0,1,0,0|2,0,0]=4 25441 B13R1.343 O=C([O-])CSCCCN1CCCC1 62a_100020667443_100011445909 [0,1,0,1,0,0|2,0,0]=4 25442 B13R1.343 O=[N+]([O-])CCCCOC1CCCC1 34a_200015379883_100000179811 [0,1,0,1,0,0|2,0,0]=4 25443 B13R1.343 O=[N+]([O-])CCCCOC1CCCC1 7a_200015379883_100000179811 [0,1,0,1,0,0|2,0,0]=4 25444 B13R1.343 O=[N+]([O-])CCCOCC1CCCC1 34a_200000037920_100000740388 [0,1,0,1,0,0|2,0,0]=4 25445 B13R1.343 O=[N+]([O-])CNCCCC1CCCC1 34a_100000736752_100000761209 [0,1,0,1,0,0|2,0,0]=4 25446 B13R1.343 O=[N+]([O-])COCCCC1CCCC1 34a_100011215328_100000761209 [0,1,0,1,0,0|2,0,0]=4 25447 B13R1.343 O=[N+]([O-])CSCCCC1CCCC1 62a_100011713738_100000761209 [0,1,0,1,0,0|2,0,0]=4 25448 B13R1.380 C=C(C)CN1CCCCC1CCC 2230a_100000701414_100000748629 [0,1,0,1,0,0|2,0,0]=4 25449 B13R1.380 C=C(C)CN1CCCCC1CCC 269982a_100000701414_100000748629 [0,1,0,1,0,0|2,0,0]=4 25450 B13R1.380 C=C(C)CN1CCCCC1CCC 34a_100000701414_100000748629 [0,1,0,1,0,0|2,0,0]=4 25451 B13R1.380 C=C(F)CN1CCCCC1CCC 2230a_100000701414_100009893438 [0,1,0,1,0,0|2,0,0]=4 25452 B13R1.380 C=C(F)CN1CCCCC1CCC 269982a_100000701414_100009893438 [0,1,0,1,0,0|2,0,0]=4 25453 B13R1.380 C=C(F)CN1CCCCC1CCC 34a_100000701414_100009893438 [0,1,0,1,0,0|2,0,0]=4 25454 B13R1.380 CC(C)CC1COCCN1CC=O 2230a_100000755734_200015260668 [0,1,0,1,0,0|2,0,0]=4 25455 B13R1.380 CC(C)CC1COCCN1CC=O 269982a_100000755734_200015260668 [0,1,0,1,0,0|2,0,0]=4 25456 B13R1.380 CC(C)CC1COCCN1CC=O 34a_100000755734_200009817547 [0,1,0,1,0,0|2,0,0]=4 25457 B13R1.380 CCCC1CCCCN1CC(=O)N 2230a_100000701414_100000747473 [0,1,0,1,0,0|1,0,0]=3 25458 B13R1.380 CCCC1CCCCN1CC(=O)N 269982a_100000701414_100000187820 [0,1,0,1,0,0|1,0,0]=3 25459 B13R1.380 CCCC1CCCCN1CC(=O)N 34a_100000701414_100000187820 [0,1,0,1,0,0|1,0,0]=3 25460 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 269982a_100000701414_100020667443 [0,1,0,1,0,0|1,0,0]=3 25461 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 34a_100000701414_100020667443 [0,1,0,1,0,0|1,0,0]=3 25462 B13R1.380 CCCC1CCCCN1C[N+](=O)[O-] 269982a_100000701414_100000761209 [0,1,0,1,0,0|2,0,0]=4 25463 B13R1.380 CCCC1CCCCN1C[N+](=O)[O-] 34a_100000701414_100000761209 [0,1,0,1,0,0|2,0,0]=4 25464 B13R1.380 CCCC1COCCN1CC(=O)N 2230a_102495339903_100000747473 [0,1,0,1,0,0|2,0,0]=4 25465 B13R1.380 CCCC1COCCN1CC(=O)N 269982a_102495339903_100000187820 [0,1,0,1,0,0|2,0,0]=4 25466 B13R1.380 CCCC1COCCN1CC(=O)N 34a_102495339903_100000187820 [0,1,0,1,0,0|2,0,0]=4 25467 B13R1.380 CCCC1COCCN1CC(=O)[O-] 269982a_102495339903_100020667443 [0,1,0,1,0,0|2,0,0]=4 25468 B13R1.380 CCCC1COCCN1CC(=O)[O-] 34a_102495339903_100020667443 [0,1,0,1,0,0|2,0,0]=4 25469 B13R1.380 CCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210303 [0,1,0,1,0,0|1,0,0]=3 25470 B13R1.380 CCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210303 [0,1,0,1,0,0|1,0,0]=3 25471 B13R1.380 CCCN1CCCCC1CC(=O)N 34a_100015184752_100000210303 [0,1,0,1,0,0|1,0,0]=3 25472 B13R1.380 CN(C)CC1CCCCN1CC=O 2230a_100000746231_200015260668 [0,1,0,1,0,0|2,0,0]=4 25473 B13R1.380 CN(C)CC1CCCCN1CC=O 269982a_100000746231_200015260668 [0,1,0,1,0,0|2,0,0]=4 25474 B13R1.380 COCC1CCCCN1CC(=O)N 2230a_100015184032_100000747473 [0,1,0,1,0,0|2,0,0]=4 25475 B13R1.380 COCC1CCCCN1CC(=O)N 269982a_100015184032_100000187820 [0,1,0,1,0,0|2,0,0]=4 25476 B13R1.380 COCC1CCCCN1CC(=O)N 34a_100015184032_100000187820 [0,1,0,1,0,0|2,0,0]=4 25477 B13R1.380 COCC1CCCCN1CC(=O)[O-] 269982a_100015184032_100020667443 [0,1,0,1,0,0|2,0,0]=4 25478 B13R1.380 COCC1CCCCN1CC(=O)[O-] 34a_100015184032_100020667443 [0,1,0,1,0,0|2,0,0]=4 25479 B13R1.380 COCN1CCCCC1CC(=O)N 2230a_100015184752_100000766300 [0,1,0,1,0,0|2,0,0]=4 25480 B13R1.380 COCN1CCCCC1CC(=O)N 269982a_100015184752_100000766300 [0,1,0,1,0,0|2,0,0]=4 25481 B13R1.380 CSCN1CCCCC1CC(=O)N 2230a_100015184752_100011218213 [0,1,0,1,0,0|2,0,0]=4 25482 B13R1.380 CSCN1CCCCC1CC(=O)N 269982a_100015184752_100011218213 [0,1,0,1,0,0|2,0,0]=4 25483 B13R1.380 CSCN1CCCCC1CC(=O)N 34a_100015184752_100011218213 [0,1,0,1,0,0|2,0,0]=4 25484 B13R1.380 NC(=O)CC1CCCCN1CCF 2230a_100015184752_100011217306 [0,1,0,1,0,0|2,0,0]=4 25485 B13R1.380 NC(=O)CC1CCCCN1CCF 269982a_100015184752_100011217306 [0,1,0,1,0,0|2,0,0]=4 25486 B13R1.380 NC(=O)CC1CCCCN1CCF 34a_100015184752_100011217306 [0,1,0,1,0,0|2,0,0]=4 25487 B13R1.380 NC(=O)CC1CCCCN1CCO 2230a_100015184752_100000211926 [0,1,0,1,0,0|2,0,0]=4 25488 B13R1.380 NC(=O)CC1CCCCN1CCO 269982a_100015184752_100000211926 [0,1,0,1,0,0|2,0,0]=4 25489 B13R1.380 NC(=O)CC1CCCCN1CCO 34a_100015184752_100000211926 [0,1,0,1,0,0|2,0,0]=4 25490 B13R1.380 NC(=O)CN1CCCCC1CCO 2230a_100000211664_100000747473 [0,1,0,1,0,0|2,0,0]=4 25491 B13R1.380 NC(=O)CN1CCCCC1CCO 269982a_100000211664_100000187820 [0,1,0,1,0,0|2,0,0]=4 25492 B13R1.380 NC(=O)CN1CCCCC1CCO 34a_100000211664_100000187820 [0,1,0,1,0,0|2,0,0]=4 25493 B13R1.380 O=C([O-])CN1CCCCC1CCO 269982a_100000211664_100020667443 [0,1,0,1,0,0|2,0,0]=4 25494 B13R1.380 O=C([O-])CN1CCCCC1CCO 34a_100000211664_100020667443 [0,1,0,1,0,0|2,0,0]=4 25495 B13R1.392 COC[C@@H]1CCCN1CCC(=O)C 269982a_100020646714_100000053229 [0,1,0,1,0,0|2,0,0]=4 25496 B13R1.392 COC[C@@H]1CCCN1CCC(=O)N 2230a_100020646714_100000744528 [0,1,0,1,0,0|2,0,0]=4 25497 B13R1.392 COC[C@@H]1CCCN1CCC(=O)N 269982a_100020646714_100000744528 [0,1,0,1,0,0|2,0,0]=4 25498 B13R1.392 COC[C@@H]1CCCN1CCC(=O)N 34a_100020646714_100000731001 [0,1,0,1,0,0|2,0,0]=4 25499 B13R1.572 C=CCCN1CCCCC1C(C)C 2230a_100000757267_100000754431 [0,1,0,1,0,0|2,0,0]=4 25500 B13R1.572 C=CCCN1CCCCC1C(C)C 269982a_100000757267_100000754431 [0,1,0,1,0,0|2,0,0]=4 25501 B13R1.572 C=CCCN1CCCCC1C(C)C 34a_100000757267_100000754431 [0,1,0,1,0,0|2,0,0]=4 25502 B13R1.572 C=CCOC1CCCCC1C(C)C 34a_100011709184_100015514636 [0,1,0,1,0,0|2,0,0]=4 25503 B13R1.572 C=CCOC1CCCCC1C(C)C 7a_100011709184_100015514636 [0,1,0,1,0,0|2,0,0]=4 25504 B13R1.572 CC(=O)N1CCCCC1CCCO 240690a_100011934581_100015343762 [0,1,0,1,0,0|2,0,0]=4 25505 B13R1.572 CC(C)C1CCCCC1OCC=O 34a_100011709184_200009817547 [0,1,0,1,0,0|1,0,0]=3 25506 B13R1.572 CC(C)C1CCCCC1OCC=O 7a_100011709184_200015260668 [0,1,0,1,0,0|1,0,0]=3 25507 B13R1.572 CCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210211 [0,1,0,1,0,0|1,0,0]=3 25508 B13R1.572 CCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210211 [0,1,0,1,0,0|1,0,0]=3 25509 B13R1.572 CCCCN1CCCCC1C(=O)N 34a_100000181395_100000210210 [0,1,0,1,0,0|1,0,0]=3 25510 B13R1.572 CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210211 [0,1,0,1,0,0|1,0,0]=3 25511 B13R1.572 CCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210211 [0,1,0,1,0,0|2,0,0]=4 25512 B13R1.572 CCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210211 [0,1,0,1,0,0|2,0,0]=4 25513 B13R1.572 CCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210211 [0,1,0,1,0,0|2,0,0]=4 25514 B13R1.572 CCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210207 [0,1,0,1,0,0|1,0,0]=3 25515 B13R1.572 CCOCN1CCCCC1C(=O)N 269982a_100000181395_100000739092 [0,1,0,1,0,0|2,0,0]=4 25516 B13R1.572 CCOCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000739092 [0,1,0,1,0,0|2,0,0]=4 25517 B13R1.572 COCCC1CCCCN1C(=O)C 11a_100015186528_100015343762 [0,1,0,1,0,0|2,0,0]=4 25518 B13R1.572 COCCC1CCCCN1C(=O)C 1626a_100015186528_100015343762 [0,1,0,1,0,0|2,0,0]=4 25519 B13R1.572 COCCC1CCCCN1C(=O)C 240690a_100015186528_100015343762 [0,1,0,1,0,0|2,0,0]=4 25520 B13R1.572 COCCC1CCCCN1C(=O)C 527a_100015186528_100103153847 [0,1,0,1,0,0|2,0,0]=4 25521 B13R1.572 COCCN1CCCCC1C(=O)N 2230a_100000181395_100011201679 [0,1,0,1,0,0|2,0,0]=4 25522 B13R1.572 COCCN1CCCCC1C(=O)N 269982a_100000181395_100000233755 [0,1,0,1,0,0|2,0,0]=4 25523 B13R1.572 COCCN1CCCCC1C(=O)N 34a_100000181395_100011201679 [0,1,0,1,0,0|2,0,0]=4 25524 B13R1.572 COCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000233755 [0,1,0,1,0,0|2,0,0]=4 25525 B13R1.572 COCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000766300 [0,1,0,1,0,0|2,0,0]=4 25526 B13R1.572 CSCCN1CCCCC1C(=O)N 2230a_100000181395_100000751147 [0,1,0,1,0,0|2,0,0]=4 25527 B13R1.572 CSCCN1CCCCC1C(=O)N 269982a_100000181395_100000212216 [0,1,0,1,0,0|2,0,0]=4 25528 B13R1.572 CSCCN1CCCCC1C(=O)N 34a_100000181395_100000212216 [0,1,0,1,0,0|2,0,0]=4 25529 B13R1.572 CSCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000212216 [0,1,0,1,0,0|2,0,0]=4 25530 B13R1.572 CSCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011218213 [0,1,0,1,0,0|2,0,0]=4 25531 B13R1.572 NC(=O)C1CCCCN1CCCF 2230a_100000181395_100011934791 [0,1,0,1,0,0|2,0,0]=4 25532 B13R1.572 NC(=O)C1CCCCN1CCCF 269982a_100000181395_100011934791 [0,1,0,1,0,0|2,0,0]=4 25533 B13R1.572 NC(=O)C1CCCCN1CCCF 34a_100000181395_100011934791 [0,1,0,1,0,0|2,0,0]=4 25534 B13R1.572 NC(=O)C1CCCCN1CCCO 2230a_100000181395_100000230001 [0,1,0,1,0,0|2,0,0]=4 25535 B13R1.572 NC(=O)C1CCCCN1CCCO 269982a_100000181395_100011215043 [0,1,0,1,0,0|2,0,0]=4 25536 B13R1.572 NC(=O)C1CCCCN1CCCO 34a_100000181395_100000230001 [0,1,0,1,0,0|2,0,0]=4 25537 B13R1.572 O=C(O)[C@@H]1CCCC[C@H]1NCCF 269956a_100009816435_100011217306 [0,1,0,1,0,0|2,0,0]=4 25538 B13R1.572 O=C(O)[C@@H]1CCCC[C@H]1NCCO 269956a_100009816435_100000211926 [0,1,0,1,0,0|2,0,0]=4 25539 B13R1.572 O=C(O)[C@H]1CCCCN1CCCF 269956a_100000763471_100011934791 [0,1,0,1,0,0|2,0,0]=4 25540 B13R1.572 O=C(O)[C@H]1CCCCN1CCCO 269956a_100000763471_100011215043 [0,1,0,1,0,0|2,0,0]=4 25541 B13R1.578 C=CCCN1CCCC1CC(C)C 2230a_100000748429_100000754431 [0,1,0,1,0,0|2,0,0]=4 25542 B13R1.578 C=CCCN1CCCC1CC(C)C 269982a_100000748429_100000754431 [0,1,0,1,0,0|2,0,0]=4 25543 B13R1.578 C=CCCN1CCCC1CC(C)C 34a_100000748429_100000754431 [0,1,0,1,0,0|2,0,0]=4 25544 B13R1.586 CC(=O)CCCCNCC1CCC1 34a_100000738700_100009817362 [0,1,0,1,0,0|1,0,0]=3 25545 B13R1.586 CC(=O)CCCCNCC1COC1 34a_100015281925_100009817362 [0,1,0,1,0,0|2,0,0]=4 25546 B13R1.586 CC(=O)CCCCNC[C@@H]1CCO1 34a_100020831831_100009817362 [0,1,0,1,0,0|2,0,0]=4 25547 B13R1.586 CC(=O)CCCCOCC1CCC1 34a_100000760304_100009817362 [0,1,0,1,0,0|1,0,0]=3 25548 B13R1.586 CC(=O)CCCCOCC1CCO1 34a_100000039022_100009817362 [0,1,0,1,0,0|2,0,0]=4 25549 B13R1.586 CC(=O)CCCCOCC1CNC1 34a_100016987283_100009817362 [0,1,0,1,0,0|2,0,0]=4 25550 B13R1.586 CC(=O)CCCCOCC1COC1 34a_100000060846_100009817362 [0,1,0,1,0,0|2,0,0]=4 25551 B13R1.586 CC(=O)CCCCSCC1CCC1 62a_100000735457_100000763275 [0,1,0,1,0,0|1,0,0]=3 25552 B13R1.586 CC(=O)CCCCSCC1CCC1 62a_100000763275_100000735457 [0,1,0,1,0,0|1,0,0]=3 25553 B13R1.586 CC(=O)CCCCSCC1CCO1 62a_100000103362_100000735457 [0,1,0,1,0,0|2,0,0]=4 25554 B13R1.586 CC(=O)CCCCSCC1CCO1 62a_100000735457_100000103362 [0,1,0,1,0,0|2,0,0]=4 25555 B13R1.586 CC(=O)CCCCSCC1COC1 62a_100000735457_100010264016 [0,1,0,1,0,0|2,0,0]=4 25556 B13R1.586 CC(=O)CCCCSCC1COC1 62a_100010264016_100000735457 [0,1,0,1,0,0|2,0,0]=4 25557 B13R1.586 CC(=O)CCCOCCC1COC1 34a_100009855314_100000685027 [0,1,0,1,0,0|2,0,0]=4 25558 B13R1.586 CC(=O)NCCCCNC1CCC1 270004a_200011368371_100000241760 [0,1,0,1,0,0|2,0,0]=4 25559 B13R1.586 CC(=O)NCCCCNC1CCC1 34a_200011368371_100000749161 [0,1,0,1,0,0|2,0,0]=4 25560 B13R1.586 CC(=O)NCCCNCC1CCC1 269862a_100000736810_100000753134 [0,1,0,1,0,0|2,0,0]=4 25561 B13R1.586 CC(=O)NCCCNCC1CCC1 34a_100000736810_100000763275 [0,1,0,1,0,0|2,0,0]=4 25562 B13R1.586 CC(=O)NCCCOCC1CCC1 34a_100000752032_100000763275 [0,1,0,1,0,0|2,0,0]=4 25563 B13R1.586 CC(=O)OCCCCCN1CCC1 269982a_100000754969_100000033007 [0,1,0,1,0,0|2,0,0]=4 25564 B13R1.586 CC(=O)OCCCCNC1CCC1 34a_100000749019_100000033659 [0,1,0,1,0,0|2,0,0]=4 25565 B13R1.586 CC(=O)OCCCCOC1CCC1 34a_100000073216_100000749161 [0,1,0,1,0,0|2,0,0]=4 25566 B13R1.586 CC(=O)OCCCCOC1CCC1 34a_100000748187_100000033659 [0,1,0,1,0,0|2,0,0]=4 25567 B13R1.586 CC(=O)OCCCCSC1CCC1 62a_100000033659_100000749161 [0,1,0,1,0,0|2,0,0]=4 25568 B13R1.586 CC(=O)OCCCNCC1CCC1 34a_100000738700_100000042594 [0,1,0,1,0,0|2,0,0]=4 25569 B13R1.586 CC(=O)OCCCOCC1CCC1 34a_100000760304_100000042594 [0,1,0,1,0,0|2,0,0]=4 25570 B13R1.586 CC(=O)OCCCSCC1CCC1 62a_100000042594_100000763275 [0,1,0,1,0,0|2,0,0]=4 25571 B13R1.586 CC(=O)OCCCSCC1CCC1 62a_100000763275_100000042594 [0,1,0,1,0,0|2,0,0]=4 25572 B13R1.586 CC(=O)SCCCCNC1CCC1 2230a_100000749019_200010402107 [0,1,0,1,0,0|2,0,0]=4 25573 B13R1.586 CC(=O)SCCCCNC1CCC1 34a_100000749019_200010402107 [0,1,0,1,0,0|2,0,0]=4 25574 B13R1.586 CC(=O)SCCCCOC1CCC1 34a_100000748187_200010402107 [0,1,0,1,0,0|2,0,0]=4 25575 B13R1.586 CC(=O)SCCCCSC1CCC1 62a_200010402107_100000749161 [0,1,0,1,0,0|2,0,0]=4 25576 B13R1.586 CC(=O)SCCCNCC1CCC1 2230a_100000738700_100000038929 [0,1,0,1,0,0|2,0,0]=4 25577 B13R1.586 CC(=O)SCCCNCC1CCC1 34a_100000738700_100000038929 [0,1,0,1,0,0|2,0,0]=4 25578 B13R1.586 CC(=O)SCCCOCC1CCC1 34a_100000760304_100000038929 [0,1,0,1,0,0|2,0,0]=4 25579 B13R1.586 CC(=O)SCCCSCC1CCC1 62a_100000038929_100000763275 [0,1,0,1,0,0|2,0,0]=4 25580 B13R1.586 CC(=O)SCCCSCC1CCC1 62a_100000763275_100000038929 [0,1,0,1,0,0|2,0,0]=4 25581 B13R1.586 NC(=O)CCCCCNC1CCC1 2230a_100000749019_100009817443 [0,1,0,1,0,0|1,0,0]=3 25582 B13R1.586 NC(=O)CCCCCNC1CCC1 34a_100000749019_100009817443 [0,1,0,1,0,0|1,0,0]=3 25583 B13R1.586 NC(=O)CCCCCNC1COC1 2230a_100016991112_100009817443 [0,1,0,1,0,0|2,0,0]=4 25584 B13R1.586 NC(=O)CCCCCOC1CCC1 34a_100000123541_100000749161 [0,1,0,1,0,0|1,0,0]=3 25585 B13R1.586 NC(=O)CCCCCOC1CCC1 34a_100000748187_100009817443 [0,1,0,1,0,0|1,0,0]=3 25586 B13R1.586 NC(=O)CCCCCOC1COC1 34a_100000123541_100009818527 [0,1,0,1,0,0|2,0,0]=4 25587 B13R1.586 NC(=O)CCCCCOC1COC1 7a_100000123541_100009818527 [0,1,0,1,0,0|2,0,0]=4 25588 B13R1.586 NC(=O)CCCCCOC1CSC1 7a_100000072292_100009817443 [0,1,0,1,0,0|2,0,0]=4 25589 B13R1.586 NC(=O)CCCCCSC1CCC1 62a_100009817443_100000749161 [0,1,0,1,0,0|1,0,0]=3 25590 B13R1.586 NC(=O)CCCCCSC1COC1 62a_100009817443_100009818527 [0,1,0,1,0,0|2,0,0]=4 25591 B13R1.586 NC(=O)CCCCNCC1CCC1 269862a_100000696515_100000753134 [0,1,0,1,0,0|1,0,0]=3 25592 B13R1.586 NC(=O)CCCCNCC1CCC1 34a_100000696515_100000763275 [0,1,0,1,0,0|1,0,0]=3 25593 B13R1.586 NC(=O)CCCCNCC1CCO1 34a_100000696515_100000103362 [0,1,0,1,0,0|2,0,0]=4 25594 B13R1.586 NC(=O)CCCCNCC1COC1 34a_100000696515_100010264016 [0,1,0,1,0,0|2,0,0]=4 25595 B13R1.586 NC(=O)CCCCOCC1CCC1 34a_100012022536_100000763275 [0,1,0,1,0,0|1,0,0]=3 25596 B13R1.586 NC(=O)CCCCOCC1CCC1 7a_100012022536_100000763275 [0,1,0,1,0,0|1,0,0]=3 25597 B13R1.586 NC(=O)CCCCOCC1CCO1 34a_100012022536_100000103362 [0,1,0,1,0,0|2,0,0]=4 25598 B13R1.586 NC(=O)CCCCOCC1CCO1 7a_100012022536_100000103362 [0,1,0,1,0,0|2,0,0]=4 25599 B13R1.586 NC(=O)CCCCOCC1COC1 34a_100012022536_100010264016 [0,1,0,1,0,0|2,0,0]=4 25600 B13R1.586 NC(=O)CCCCOCC1COC1 7a_100012022536_100010264016 [0,1,0,1,0,0|2,0,0]=4 25601 B13R1.586 NC(=O)CCCOCCC1COC1 34a_100009855314_100102525003 [0,1,0,1,0,0|2,0,0]=4 25602 B13R1.586 NC(=O)COCCNCC1CCC1 2230a_100000738700_100000076697 [0,1,0,1,0,0|2,0,0]=4 25603 B13R1.586 NC(=O)COCCNCC1CCC1 34a_100000738700_100000076697 [0,1,0,1,0,0|2,0,0]=4 25604 B13R1.586 NC(=O)COCCOCC1CCC1 34a_100000760304_100000076697 [0,1,0,1,0,0|2,0,0]=4 25605 B13R1.586 NC(=O)COCCSCC1CCC1 62a_100000076697_100000763275 [0,1,0,1,0,0|2,0,0]=4 25606 B13R1.586 NC(=O)COCCSCC1CCC1 62a_100000763275_100000076697 [0,1,0,1,0,0|2,0,0]=4 25607 B13R1.586 O=C(O)COCCNCC1CCC1 269956a_100000700818_100000763275 [0,1,0,1,0,0|2,0,0]=4 25608 B13R1.586 O=C([O-])CCCCCOC1COC1 7a_100102619762_100009818527 [0,1,0,1,0,0|2,0,0]=4 25609 B13R1.586 O=[N+]([O-])CCCCOCC1CCC1 34a_200015379883_100000763275 [0,1,0,1,0,0|2,0,0]=4 25610 B13R1.586 O=[N+]([O-])CCCCOCC1CCC1 7a_200015379883_100000763275 [0,1,0,1,0,0|2,0,0]=4 25611 B13R1.614 CN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200000210301 [0,1,0,1,0,0|1,0,0]=3 25612 B13R1.614 [13CH3]N[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_200025704644 [0,1,0,1,0,0|1,0,0]=3 25613 B13R1.668 C=CCCNC1CCCCC1(C)C 269862a_100015191253_100000031690 [0,1,0,1,0,0|2,0,0]=4 25614 B13R1.668 CC1(COCCN1CCCC=O)C 2230a_100000724681_200011292268 [0,1,0,1,0,0|2,0,0]=4 25615 B13R1.668 CC1(COCCN1CCCC=O)C 269982a_100000724681_200011292268 [0,1,0,1,0,0|2,0,0]=4 25616 B13R1.670 C=CCCCN1CCCC1C(C)C 2230a_100000762757_100011713584 [0,1,0,1,0,0|2,0,0]=4 25617 B13R1.670 C=CCCCN1CCCC1C(C)C 269982a_100000762757_100000757094 [0,1,0,1,0,0|2,0,0]=4 25618 B13R1.670 C=CCCCN1CCCC1C(C)C 34a_100000762757_100000757094 [0,1,0,1,0,0|2,0,0]=4 25619 B13R1.670 CC(C)C1CCCN1CCCC=O 2230a_100000762757_200011292268 [0,1,0,1,0,0|1,0,0]=3 25620 B13R1.670 CC(C)C1CCCN1CCCC=O 269982a_100000762757_200011292268 [0,1,0,1,0,0|1,0,0]=3 25621 B13R1.670 CCCCCC1CCCC1N(C)C 270004a_100102631434_200000198059 [0,1,0,1,0,0|2,0,0]=4 25622 B13R1.670 CCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210326 [0,1,0,1,0,0|1,0,0]=3 25623 B13R1.670 CCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210326 [0,1,0,1,0,0|1,0,0]=3 25624 B13R1.670 CCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210326 [0,1,0,1,0,0|2,0,0]=4 25625 B13R1.670 CCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210326 [0,1,0,1,0,0|2,0,0]=4 25626 B13R1.670 CCCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000210303 [0,1,0,1,0,0|2,0,0]=4 25627 B13R1.670 CCCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210303 [0,1,0,1,0,0|2,0,0]=4 25628 B13R1.670 CCCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210303 [0,1,0,1,0,0|2,0,0]=4 25629 B13R1.670 CCCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210303 [0,1,0,1,0,0|2,0,0]=4 25630 B13R1.670 CCOCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011215890 [0,1,0,1,0,0|2,0,0]=4 25631 B13R1.670 CCOCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210147 [0,1,0,1,0,0|2,0,0]=4 25632 B13R1.670 CCSCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000757381 [0,1,0,1,0,0|2,0,0]=4 25633 B13R1.670 CCSCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000757381 [0,1,0,1,0,0|2,0,0]=4 25634 B13R1.670 COCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000740836 [0,1,0,1,0,0|2,0,0]=4 25635 B13R1.670 COCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000740836 [0,1,0,1,0,0|2,0,0]=4 25636 B13R1.670 NC(=O)[C@@H]1CCCN1CCCCF 2230a_100000003125_100000729493 [0,1,0,1,0,0|2,0,0]=4 25637 B13R1.670 NC(=O)[C@@H]1CCCN1CCCCO 2230a_100000003125_100000210776 [0,1,0,1,0,0|2,0,0]=4 25638 B13R1.670 O=C(O)[C@@H]1CCCN1CCCCF 269956a_100000743916_100000729493 [0,1,0,1,0,0|2,0,0]=4 25639 B13R1.670 O=C(O)[C@@H]1CCCN1CCCCO 269956a_100000743916_100000210776 [0,1,0,1,0,0|2,0,0]=4 25640 B13R1.1022 C=C(C)CCN1CCCCCCC1 2230a_100000211400_100000730704 [0,1,0,1,0,0|2,0,0]=4 25641 B13R1.1022 C=C(C)CCN1CCCCCCC1 269982a_100000211400_100000730704 [0,1,0,1,0,0|2,0,0]=4 25642 B13R1.1022 C=C(C)CCN1CCCCCCC1 34a_100000211400_100000730704 [0,1,0,1,0,0|2,0,0]=4 25643 B13R1.1022 C=C(C)CNC1CCCCCCC1 2230a_100000211152_100000748629 [0,1,0,1,0,0|2,0,0]=4 25644 B13R1.1022 C=C(C)CNC1CCCCCCC1 34a_100000211152_100000748629 [0,1,0,1,0,0|2,0,0]=4 25645 B13R1.1022 C=C(C)COC1CCCCCCC1 34a_100000210054_100000748629 [0,1,0,1,0,0|2,0,0]=4 25646 B13R1.1022 C=C(C)COC1CCCCCCC1 7a_100000210054_100000748629 [0,1,0,1,0,0|2,0,0]=4 25647 B13R1.1022 C=C(F)CNC1CCCCCCC1 2230a_100000211152_100009893438 [0,1,0,1,0,0|2,0,0]=4 25648 B13R1.1022 C=C(F)CNC1CCCCCCC1 34a_100000211152_100009893438 [0,1,0,1,0,0|2,0,0]=4 25649 B13R1.1022 C=C(F)COC1CCCCCCC1 34a_100000210054_100009893438 [0,1,0,1,0,0|2,0,0]=4 25650 B13R1.1022 C=C(F)COC1CCCCCCC1 7a_100000210054_100000042424 [0,1,0,1,0,0|2,0,0]=4 25651 B13R1.1022 CC(=O)CCN1CCCCCCC1 1458a_200015187237_200000210301 [0,1,0,1,0,0|1,0,0]=3 25652 B13R1.1022 CC(=O)CCN1CCCCCCC1 269982a_100000211400_100000053229 [0,1,0,1,0,0|1,0,0]=3 25653 B13R1.1022 CC(=O)OCN1CCCCCCC1 269982a_100000211400_100000076356 [0,1,0,1,0,0|2,0,0]=4 25654 B13R1.1022 CC(=O)OCN1CCCCCCC1 34a_100000211400_100009813279 [0,1,0,1,0,0|2,0,0]=4 25655 B13R1.1022 CC(C)COC1C=CCCCCC1 34a_100000688657_100000210624 [0,1,0,1,0,0|2,0,0]=4 25656 B13R1.1022 CC(O)COC1C=CCCCCC1 34a_100000688657_100011218427 [0,1,0,1,0,0|2,0,0]=4 25657 B13R1.1022 C[C@@H](O)COC1C=CCCCCC1 34a_100000688657_100009817552 [0,1,0,1,0,0|2,0,0]=4 25658 B13R1.1022 NC(=O)CCN1CCCCCCC1 2230a_100000211400_100000744528 [0,1,0,1,0,0|1,0,0]=3 25659 B13R1.1022 NC(=O)CCN1CCCCCCC1 269982a_100000211400_100000744528 [0,1,0,1,0,0|1,0,0]=3 25660 B13R1.1022 NC(=O)CCN1CCCCCCC1 34a_100000211400_100000731001 [0,1,0,1,0,0|1,0,0]=3 25661 B13R1.1022 NC(=O)CNC1CCCCCCC1 2230a_100000211152_100000747473 [0,1,0,1,0,0|1,0,0]=3 25662 B13R1.1022 NC(=O)CNC1CCCCCCC1 34a_100000211152_100000187820 [0,1,0,1,0,0|1,0,0]=3 25663 B13R1.1022 NC(=O)COC1CCCCCCC1 34a_100000210054_100000187820 [0,1,0,1,0,0|1,0,0]=3 25664 B13R1.1022 NC(=O)COC1CCCCCCC1 7a_100000210054_100000187820 [0,1,0,1,0,0|1,0,0]=3 25665 B13R1.1022 O=C([O-])CNC1CCCCCCC1 34a_100000211152_100020667443 [0,1,0,1,0,0|1,0,0]=3 25666 B13R1.1022 O=C([O-])COC1CCCCCCC1 34a_100000210054_100020667443 [0,1,0,1,0,0|1,0,0]=3 25667 B13R1.1022 O=[N+]([O-])CNC1CCCCCCC1 34a_100000211152_100000761209 [0,1,0,1,0,0|2,0,0]=4 25668 B13R1.1022 O=[N+]([O-])COC1CCCCCCC1 34a_100000210054_100000761209 [0,1,0,1,0,0|2,0,0]=4 25669 B13R1.1022 [13CH3]C(=O)CCN1CCCCCCC1 1458a_200015187237_200025704644 [0,1,0,1,0,0|1,0,0]=3 25670 B13R1.1052 CC(=O)CCCCNCCC1CC1 34a_100000764129_100009817362 [0,1,0,1,0,0|1,0,0]=3 25671 B13R1.1052 CC(=O)CCCCOCCC1CC1 34a_100000754188_100009817362 [0,1,0,1,0,0|1,0,0]=3 25672 B13R1.1052 CC(=O)CCCCOCCC1CC1 7a_100000754188_100000735457 [0,1,0,1,0,0|1,0,0]=3 25673 B13R1.1052 CC(=O)CCCCOCC[C@@H]1CO1 34a_100009820653_100009817362 [0,1,0,1,0,0|2,0,0]=4 25674 B13R1.1052 CC(=O)CCCCSCCC1CC1 62a_100000735457_100000764125 [0,1,0,1,0,0|1,0,0]=3 25675 B13R1.1052 CC(=O)CCCCSCCC1CC1 62a_100000764125_100000735457 [0,1,0,1,0,0|1,0,0]=3 25676 B13R1.1052 CC(=O)CCCCSCCC1CO1 62a_100000732470_100000735457 [0,1,0,1,0,0|2,0,0]=4 25677 B13R1.1052 CC(=O)CCCCSCCC1CO1 62a_100000735457_100000732470 [0,1,0,1,0,0|2,0,0]=4 25678 B13R1.1052 CC(=O)CCCOCCCC1CO1 34a_100000759063_100000733510 [0,1,0,1,0,0|2,0,0]=4 25679 B13R1.1052 CC(=O)CCCOCCCC1CO1 7a_100000759063_100000733510 [0,1,0,1,0,0|2,0,0]=4 25680 B13R1.1052 CC(=O)CCCOCCNC1CC1 34a_100000738766_100000685027 [0,1,0,1,0,0|2,0,0]=4 25681 B13R1.1052 CC(=O)CCCSCCCC1CO1 62a_100000733510_100011215641 [0,1,0,1,0,0|2,0,0]=4 25682 B13R1.1052 CC(=O)CCCSCCCC1CO1 62a_100011215641_100000733510 [0,1,0,1,0,0|2,0,0]=4 25683 B13R1.1052 CC(=O)NCCCCCNC1CC1 34a_200012022750_100000211595 [0,1,0,1,0,0|2,0,0]=4 25684 B13R1.1052 CC(=O)NCCCCNCC1CC1 2230a_200011368371_100000742324 [0,1,0,1,0,0|2,0,0]=4 25685 B13R1.1052 CC(=O)NCCCCNCC1CC1 269862a_200011368371_100000741477 [0,1,0,1,0,0|2,0,0]=4 25686 B13R1.1052 CC(=O)NCCCCNCC1CC1 34a_200011368371_100000742324 [0,1,0,1,0,0|2,0,0]=4 25687 B13R1.1052 CC(=O)NCCCNCCC1CC1 34a_100000736810_100000694398 [0,1,0,1,0,0|2,0,0]=4 25688 B13R1.1052 CC(=O)NCCCOCCC1CC1 34a_100000752032_100000694398 [0,1,0,1,0,0|2,0,0]=4 25689 B13R1.1052 CC(=O)OCCCCCNC1CC1 34a_100000212008_100000033007 [0,1,0,1,0,0|2,0,0]=4 25690 B13R1.1052 CC(=O)OCCCCCSC1CC1 62a_100000033007_100000211595 [0,1,0,1,0,0|2,0,0]=4 25691 B13R1.1052 CC(=O)OCCCCNCC1CC1 34a_100000735609_100000033659 [0,1,0,1,0,0|2,0,0]=4 25692 B13R1.1052 CC(=O)OCCCCOCC1CC1 34a_100000073216_100000742324 [0,1,0,1,0,0|2,0,0]=4 25693 B13R1.1052 CC(=O)OCCCCOCC1CC1 34a_100000211283_100000033659 [0,1,0,1,0,0|2,0,0]=4 25694 B13R1.1052 CC(=O)OCCCCOCC1CC1 7a_100000073216_100000742324 [0,1,0,1,0,0|2,0,0]=4 25695 B13R1.1052 CC(=O)OCCCCSCC1CC1 62a_100000033659_100000742324 [0,1,0,1,0,0|2,0,0]=4 25696 B13R1.1052 CC(=O)OCCCCSCC1CC1 62a_100000756562_100000033659 [0,1,0,1,0,0|2,0,0]=4 25697 B13R1.1052 CC(=O)OCCCNCCC1CC1 34a_100000764129_100000042594 [0,1,0,1,0,0|2,0,0]=4 25698 B13R1.1052 CC(=O)OCCCOCCC1CC1 34a_100000754188_100000042594 [0,1,0,1,0,0|2,0,0]=4 25699 B13R1.1052 CC(=O)OCCCOCCC1CC1 7a_100000754188_100000042594 [0,1,0,1,0,0|2,0,0]=4 25700 B13R1.1052 CC(=O)OCCCSCCC1CC1 62a_100000042594_100000764125 [0,1,0,1,0,0|2,0,0]=4 25701 B13R1.1052 CC(=O)OCCCSCCC1CC1 62a_100000764125_100000042594 [0,1,0,1,0,0|2,0,0]=4 25702 B13R1.1052 CC(=O)SCCCCNCC1CC1 2230a_100000735609_200010402107 [0,1,0,1,0,0|2,0,0]=4 25703 B13R1.1052 CC(=O)SCCCCNCC1CC1 34a_100000735609_200010402107 [0,1,0,1,0,0|2,0,0]=4 25704 B13R1.1052 CC(=O)SCCCCOCC1CC1 34a_100000211283_200010402107 [0,1,0,1,0,0|2,0,0]=4 25705 B13R1.1052 CC(=O)SCCCCSCC1CC1 62a_100000756562_200010402107 [0,1,0,1,0,0|2,0,0]=4 25706 B13R1.1052 CC(=O)SCCCCSCC1CC1 62a_200010402107_100000742324 [0,1,0,1,0,0|2,0,0]=4 25707 B13R1.1052 CC(=O)SCCCNCCC1CC1 34a_100000764129_100000038929 [0,1,0,1,0,0|2,0,0]=4 25708 B13R1.1052 CC(=O)SCCCOCCC1CC1 34a_100000754188_100000038929 [0,1,0,1,0,0|2,0,0]=4 25709 B13R1.1052 CC(=O)SCCCOCCC1CC1 7a_100000754188_100000038929 [0,1,0,1,0,0|2,0,0]=4 25710 B13R1.1052 CC(=O)SCCCSCCC1CC1 62a_100000038929_100000764125 [0,1,0,1,0,0|2,0,0]=4 25711 B13R1.1052 CC(=O)SCCCSCCC1CC1 62a_100000764125_100000038929 [0,1,0,1,0,0|2,0,0]=4 25712 B13R1.1052 NC(=O)CCCCCNCC1CC1 2230a_100000735609_100009817443 [0,1,0,1,0,0|1,0,0]=3 25713 B13R1.1052 NC(=O)CCCCCNCC1CC1 34a_100000735609_100009817443 [0,1,0,1,0,0|1,0,0]=3 25714 B13R1.1052 NC(=O)CCCCCOCC1CC1 34a_100000123541_100000742324 [0,1,0,1,0,0|1,0,0]=3 25715 B13R1.1052 NC(=O)CCCCCOCC1CC1 34a_100000211283_100009817443 [0,1,0,1,0,0|1,0,0]=3 25716 B13R1.1052 NC(=O)CCCCCOCC1CC1 7a_100000123541_100000742324 [0,1,0,1,0,0|1,0,0]=3 25717 B13R1.1052 NC(=O)CCCCCOCC1CO1 34a_100000123541_102125554688 [0,1,0,1,0,0|2,0,0]=4 25718 B13R1.1052 NC(=O)CCCCCOCC1CO1 7a_100000123541_102125554688 [0,1,0,1,0,0|2,0,0]=4 25719 B13R1.1052 NC(=O)CCCCCOCC1CS1 7a_100000123541_100000031435 [0,1,0,1,0,0|2,0,0]=4 25720 B13R1.1052 NC(=O)CCCCCOC[C@@H]1CO1 34a_100000757423_100009817443 [0,1,0,1,0,0|2,0,0]=4 25721 B13R1.1052 NC(=O)CCCCCOC[C@@H]1CO1 7a_100000123541_100000745022 [0,1,0,1,0,0|2,0,0]=4 25722 B13R1.1052 NC(=O)CCCCCSCC1CC1 62a_100000756562_100009817443 [0,1,0,1,0,0|1,0,0]=3 25723 B13R1.1052 NC(=O)CCCCCSCC1CC1 62a_100009817443_100000742324 [0,1,0,1,0,0|1,0,0]=3 25724 B13R1.1052 NC(=O)CCCCCSCC1CO1 62a_100009817443_102125554688 [0,1,0,1,0,0|2,0,0]=4 25725 B13R1.1052 NC(=O)CCCCCSCC1CO1 62a_102125554688_100009817443 [0,1,0,1,0,0|2,0,0]=4 25726 B13R1.1052 NC(=O)CCCCCSCC1CS1 62a_100000031435_100009817443 [0,1,0,1,0,0|2,0,0]=4 25727 B13R1.1052 NC(=O)CCCCCSCC1CS1 62a_100009817443_100000031435 [0,1,0,1,0,0|2,0,0]=4 25728 B13R1.1052 NC(=O)CCCCCSC[C@@H]1CO1 62a_100000745022_100009817443 [0,1,0,1,0,0|2,0,0]=4 25729 B13R1.1052 NC(=O)CCCCCSC[C@@H]1CO1 62a_100009817443_100000745022 [0,1,0,1,0,0|2,0,0]=4 25730 B13R1.1052 NC(=O)CCCCNCCC1CC1 34a_100000696515_100000694398 [0,1,0,1,0,0|1,0,0]=3 25731 B13R1.1052 NC(=O)CCCCNCCC1CO1 34a_100000696515_100000732470 [0,1,0,1,0,0|2,0,0]=4 25732 B13R1.1052 NC(=O)CCCCOCCC1CC1 34a_100012022536_100000694398 [0,1,0,1,0,0|1,0,0]=3 25733 B13R1.1052 NC(=O)CCCCOCCC1CC1 7a_100012022536_100000764125 [0,1,0,1,0,0|1,0,0]=3 25734 B13R1.1052 NC(=O)CCCCOCCC1CO1 34a_100012022536_100000732470 [0,1,0,1,0,0|2,0,0]=4 25735 B13R1.1052 NC(=O)CCCCOCCC1CO1 7a_100012022536_100000732470 [0,1,0,1,0,0|2,0,0]=4 25736 B13R1.1052 NC(=O)CCCNCCCC1CO1 34a_100000739312_100000733510 [0,1,0,1,0,0|2,0,0]=4 25737 B13R1.1052 NC(=O)CCCOCCNC1CC1 34a_100000738766_100102525003 [0,1,0,1,0,0|2,0,0]=4 25738 B13R1.1052 NC(=O)CCCSCCCC1CO1 62a_100000733510_100102525003 [0,1,0,1,0,0|2,0,0]=4 25739 B13R1.1052 NC(=O)CCCSCCCC1CO1 62a_100102525003_100000733510 [0,1,0,1,0,0|2,0,0]=4 25740 B13R1.1052 NC(=O)COCCNCCC1CC1 34a_100000764129_100000076697 [0,1,0,1,0,0|2,0,0]=4 25741 B13R1.1052 NC(=O)COCCOCCC1CC1 34a_100000754188_100000076697 [0,1,0,1,0,0|2,0,0]=4 25742 B13R1.1052 NC(=O)COCCOCCC1CC1 7a_100000754188_100000076697 [0,1,0,1,0,0|2,0,0]=4 25743 B13R1.1052 NC(=O)COCCSCCC1CC1 62a_100000076697_100000764125 [0,1,0,1,0,0|2,0,0]=4 25744 B13R1.1052 NC(=O)COCCSCCC1CC1 62a_100000764125_100000076697 [0,1,0,1,0,0|2,0,0]=4 25745 B13R1.1052 O=C(O)COCCNCCC1CC1 269956a_100000700818_100000694398 [0,1,0,1,0,0|2,0,0]=4 25746 B13R1.1052 O=C([O-])CCCCCOCC1CC1 7a_100102619762_100000742324 [0,1,0,1,0,0|1,0,0]=3 25747 B13R1.1052 O=C([O-])CCCCCOCC1CO1 7a_100102619762_102125554688 [0,1,0,1,0,0|2,0,0]=4 25748 B13R1.1052 O=C([O-])CCCCCOCC1CS1 7a_100102619762_100000031435 [0,1,0,1,0,0|2,0,0]=4 25749 B13R1.1052 O=C([O-])CCCCCOC[C@@H]1CO1 7a_100102619762_100000745022 [0,1,0,1,0,0|2,0,0]=4 25750 B13R1.1052 O=[N+]([O-])CCCCOCCC1CC1 34a_200015379883_100000694398 [0,1,0,1,0,0|2,0,0]=4 25751 B13R1.1052 O=[N+]([O-])CCCCOCCC1CC1 7a_200015379883_100000764125 [0,1,0,1,0,0|2,0,0]=4 25752 B13R1.1107 C=C(C)CN1CCCCCCCC1 2230a_100000039187_100000748629 [0,1,0,1,0,0|2,0,0]=4 25753 B13R1.1107 C=C(C)CN1CCCCCCCC1 269982a_100000039187_100000748629 [0,1,0,1,0,0|2,0,0]=4 25754 B13R1.1107 C=C(C)CN1CCCCCCCC1 34a_100000039187_100000748629 [0,1,0,1,0,0|2,0,0]=4 25755 B13R1.1107 C=C(F)CN1CCCCCCCC1 2230a_100000039187_100009893438 [0,1,0,1,0,0|2,0,0]=4 25756 B13R1.1107 C=C(F)CN1CCCCCCCC1 269982a_100000039187_100009893438 [0,1,0,1,0,0|2,0,0]=4 25757 B13R1.1107 C=C(F)CN1CCCCCCCC1 34a_100000039187_100009893438 [0,1,0,1,0,0|2,0,0]=4 25758 B13R1.1107 NC(=O)CN1CCCCCCCC1 2230a_100000039187_100000747473 [0,1,0,1,0,0|1,0,0]=3 25759 B13R1.1107 NC(=O)CN1CCCCCCCC1 269982a_100000039187_100000187820 [0,1,0,1,0,0|1,0,0]=3 25760 B13R1.1107 NC(=O)CN1CCCCCCCC1 34a_100000039187_100000187820 [0,1,0,1,0,0|1,0,0]=3 25761 B13R1.1107 O=C([O-])CN1CCCCCCCC1 269982a_100000039187_100020667443 [0,1,0,1,0,0|1,0,0]=3 25762 B13R1.1107 O=C([O-])CN1CCCCCCCC1 34a_100000039187_100020667443 [0,1,0,1,0,0|1,0,0]=3 25763 B13R1.1107 O=[N+]([O-])CN1CCCCCCCC1 269982a_100000039187_100000761209 [0,1,0,1,0,0|2,0,0]=4 25764 B13R1.1107 O=[N+]([O-])CN1CCCCCCCC1 34a_100000039187_100000761209 [0,1,0,1,0,0|2,0,0]=4 25765 B13R1.1988 C=C(Br)CCOC1CCCCCC1 34a_100009813270_100011217769 [0,1,0,1,0,0|2,0,0]=4 25766 B13R1.1988 C=C(C)CCNC1CCCCCC1 2230a_100000210984_100000730704 [0,1,0,1,0,0|2,0,0]=4 25767 B13R1.1988 C=C(C)CCNC1CCCCCC1 34a_100000210984_100000730704 [0,1,0,1,0,0|2,0,0]=4 25768 B13R1.1988 C=C(C)CCOC1CCCCCC1 34a_100000210887_100000730704 [0,1,0,1,0,0|2,0,0]=4 25769 B13R1.1988 C=C(C)CCOC1CCCCCC1 34a_100000764851_100011217769 [0,1,0,1,0,0|2,0,0]=4 25770 B13R1.1988 C=C(C)CCOC1CCCCCC1 7a_100000210887_100000730704 [0,1,0,1,0,0|2,0,0]=4 25771 B13R1.1988 C=C(C)CCSC1CCCCCC1 62a_100000730704_100011217769 [0,1,0,1,0,0|2,0,0]=4 25772 B13R1.1988 C=C(C)CCSC1CCCCCC1 62a_100011217769_100000730704 [0,1,0,1,0,0|2,0,0]=4 25773 B13R1.1988 C=C(C)CNCC1CCCCCC1 2230a_100015204231_100000748629 [0,1,0,1,0,0|2,0,0]=4 25774 B13R1.1988 C=C(C)CNCC1CCCCCC1 34a_100015204231_100000748629 [0,1,0,1,0,0|2,0,0]=4 25775 B13R1.1988 C=C(C)COCC1CCCCCC1 34a_100000210245_200000696569 [0,1,0,1,0,0|2,0,0]=4 25776 B13R1.1988 C=C(C)COCC1CCCCCC1 34a_100000699130_100000748629 [0,1,0,1,0,0|2,0,0]=4 25777 B13R1.1988 C=C(C)COCC1CCCCCC1 7a_100000699130_100000748629 [0,1,0,1,0,0|2,0,0]=4 25778 B13R1.1988 C=C(C)CSCC1CCCCCC1 62a_100000748629_200000696569 [0,1,0,1,0,0|2,0,0]=4 25779 B13R1.1988 C=C(C)CSCC1CCCCCC1 62a_200000696569_100000211660 [0,1,0,1,0,0|2,0,0]=4 25780 B13R1.1988 C=C(F)CNCC1CCCCCC1 2230a_100015204231_100009893438 [0,1,0,1,0,0|2,0,0]=4 25781 B13R1.1988 C=C(F)CNCC1CCCCCC1 34a_100015204231_100009893438 [0,1,0,1,0,0|2,0,0]=4 25782 B13R1.1988 C=C(F)COCC1CCCCCC1 34a_100000699130_100009893438 [0,1,0,1,0,0|2,0,0]=4 25783 B13R1.1988 C=C(F)COCC1CCCCCC1 34a_200010262243_200000696569 [0,1,0,1,0,0|2,0,0]=4 25784 B13R1.1988 C=C(F)COCC1CCCCCC1 7a_100000699130_100000042424 [0,1,0,1,0,0|2,0,0]=4 25785 B13R1.1988 C=C(F)CSCC1CCCCCC1 62a_100000042424_200000696569 [0,1,0,1,0,0|2,0,0]=4 25786 B13R1.1988 C=C(F)CSCC1CCCCCC1 62a_200000696569_100000042424 [0,1,0,1,0,0|2,0,0]=4 25787 B13R1.1988 CC(=O)CCCN1CCCCCC1 269982a_100000185865_100011215641 [0,1,0,1,0,0|1,0,0]=3 25788 B13R1.1988 CC(=O)CCCN1CCCCCC1 34a_100000185865_100000685027 [0,1,0,1,0,0|1,0,0]=3 25789 B13R1.1988 CC(=O)CCCN1CCCOCC1 269982a_100000685342_100011215641 [0,1,0,1,0,0|2,0,0]=4 25790 B13R1.1988 CC(=O)CCCN1CCCOCC1 34a_100000685342_100000685027 [0,1,0,1,0,0|2,0,0]=4 25791 B13R1.1988 CC(=O)CCOC1CCCCCC1 34a_100000759926_100011217769 [0,1,0,1,0,0|1,0,0]=3 25792 B13R1.1988 CC(=O)CCOC1CCCCCC1 7a_100000210887_100000053229 [0,1,0,1,0,0|1,0,0]=3 25793 B13R1.1988 CC(=O)CCSC1CCCCCC1 62a_100000053229_100011217769 [0,1,0,1,0,0|1,0,0]=3 25794 B13R1.1988 CC(=O)CCSC1CCCCCC1 62a_100011217769_100000053229 [0,1,0,1,0,0|1,0,0]=3 25795 B13R1.1988 CC(=O)COCC1CCCCCC1 34a_100000211253_200000696569 [0,1,0,1,0,0|1,0,0]=3 25796 B13R1.1988 CC(=O)NCCC1CCCCCC1 11a_100011532351_100015343762 [0,1,0,1,0,0|1,0,0]=3 25797 B13R1.1988 CC(=O)NCCC1CCCCCC1 1626a_100011532351_100015343762 [0,1,0,1,0,0|1,0,0]=3 25798 B13R1.1988 CC(=O)NCCC1CCCCCC1 240690a_100011532351_100015343762 [0,1,0,1,0,0|1,0,0]=3 25799 B13R1.1988 CC(=O)NCCC1CCCCCC1 527a_100011532351_100103153847 [0,1,0,1,0,0|1,0,0]=3 25800 B13R1.1988 CC(=O)NCCN1CCCCCC1 11a_100000738142_100015343762 [0,1,0,1,0,0|2,0,0]=4 25801 B13R1.1988 CC(=O)NCCN1CCCCCC1 2230a_100000185865_100000189650 [0,1,0,1,0,0|2,0,0]=4 25802 B13R1.1988 CC(=O)NCCN1CCCCCC1 240690a_100000738142_100015343762 [0,1,0,1,0,0|2,0,0]=4 25803 B13R1.1988 CC(=O)NCCN1CCCCCC1 269982a_100000185865_100000189650 [0,1,0,1,0,0|2,0,0]=4 25804 B13R1.1988 CC(=O)NCCN1CCCCCC1 527a_100000738142_100103153847 [0,1,0,1,0,0|2,0,0]=4 25805 B13R1.1988 CC(=O)OCCN1CCCCCC1 269982a_100000185865_100009814007 [0,1,0,1,0,0|2,0,0]=4 25806 B13R1.1988 CC(=O)OCCN1CCCCCC1 34a_100000185865_100009814007 [0,1,0,1,0,0|2,0,0]=4 25807 B13R1.1988 CC(=O)OCNC1CCCCCC1 34a_100000210984_100009813279 [0,1,0,1,0,0|2,0,0]=4 25808 B13R1.1988 CC(=O)OCOC1CCCCCC1 34a_100000210887_100009813279 [0,1,0,1,0,0|2,0,0]=4 25809 B13R1.1988 CC(=O)OCSC1CCCCCC1 62a_100000076356_100011217769 [0,1,0,1,0,0|2,0,0]=4 25810 B13R1.1988 CC(=O)OCSC1CCCCCC1 62a_100011217769_100000076356 [0,1,0,1,0,0|2,0,0]=4 25811 B13R1.1988 NC(=O)CCCN1CCCCCC1 269982a_100000185865_100102525003 [0,1,0,1,0,0|1,0,0]=3 25812 B13R1.1988 NC(=O)CCCN1CCCCCC1 34a_100000185865_100102525003 [0,1,0,1,0,0|1,0,0]=3 25813 B13R1.1988 NC(=O)CCCN1CCCOCC1 269982a_100000685342_100102525003 [0,1,0,1,0,0|2,0,0]=4 25814 B13R1.1988 NC(=O)CCCN1CCCOCC1 34a_100000685342_100102525003 [0,1,0,1,0,0|2,0,0]=4 25815 B13R1.1988 NC(=O)CCNC1CCCCCC1 2230a_100000210984_100000744528 [0,1,0,1,0,0|1,0,0]=3 25816 B13R1.1988 NC(=O)CCNC1CCCCCC1 34a_100000210984_100000731001 [0,1,0,1,0,0|1,0,0]=3 25817 B13R1.1988 NC(=O)CCOC1CCCCCC1 34a_100000210887_100000731001 [0,1,0,1,0,0|1,0,0]=3 25818 B13R1.1988 NC(=O)CCOC1CCCCCC1 34a_100000757172_100011217769 [0,1,0,1,0,0|1,0,0]=3 25819 B13R1.1988 NC(=O)CCOC1CCCCCC1 7a_100000210887_100000744528 [0,1,0,1,0,0|1,0,0]=3 25820 B13R1.1988 NC(=O)CCSC1CCCCCC1 62a_100000744528_100011217769 [0,1,0,1,0,0|1,0,0]=3 25821 B13R1.1988 NC(=O)CCSC1CCCCCC1 62a_100011217769_100000744528 [0,1,0,1,0,0|1,0,0]=3 25822 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100000711301_200000696569 [0,1,0,1,0,0|1,0,0]=3 25823 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100015204231_100000747473 [0,1,0,1,0,0|1,0,0]=3 25824 B13R1.1988 NC(=O)CNCC1CCCCCC1 34a_100015204231_100000187820 [0,1,0,1,0,0|1,0,0]=3 25825 B13R1.1988 NC(=O)COCC1CCCCCC1 34a_100000699130_100000187820 [0,1,0,1,0,0|1,0,0]=3 25826 B13R1.1988 NC(=O)COCC1CCCCCC1 7a_100000699130_100000187820 [0,1,0,1,0,0|1,0,0]=3 25827 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_100000747473_200000696569 [0,1,0,1,0,0|1,0,0]=3 25828 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_200000696569_100000747473 [0,1,0,1,0,0|1,0,0]=3 25829 B13R1.1988 NC(=O)NCCN1CCCCCC1 2230a_100000185865_200000034859 [0,1,0,1,0,0|2,0,0]=4 25830 B13R1.1988 NC(=O)NCCN1CCCCCC1 269982a_100000185865_200000034859 [0,1,0,1,0,0|2,0,0]=4 25831 B13R1.1988 NC(=O)OCCN1CCCCCC1 269982a_100000185865_200011214921 [0,1,0,1,0,0|2,0,0]=4 25832 B13R1.1988 NC(=O)OCCN1CCCCCC1 34a_100000185865_200011214921 [0,1,0,1,0,0|2,0,0]=4 25833 B13R1.1988 O=C(O)CNCC1CCCCCC1 269956a_100016091260_200000696569 [0,1,0,1,0,0|1,0,0]=3 25834 B13R1.1988 O=C(O)CONC1CCCCCC1 269956a_100000106656_100011217769 [0,1,0,1,0,0|2,0,0]=4 25835 B13R1.1988 O=C([O-])CNCC1CCCCCC1 34a_100015204231_100020667443 [0,1,0,1,0,0|1,0,0]=3 25836 B13R1.1988 O=C([O-])COCC1CCCCCC1 34a_100000699130_100020667443 [0,1,0,1,0,0|1,0,0]=3 25837 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_100020667443_200000696569 [0,1,0,1,0,0|1,0,0]=3 25838 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_200000696569_100020667443 [0,1,0,1,0,0|1,0,0]=3 25839 B13R1.1988 O=[N+]([O-])CNCC1CCCCCC1 34a_100015204231_100000761209 [0,1,0,1,0,0|2,0,0]=4 25840 B13R1.1988 O=[N+]([O-])COCC1CCCCCC1 34a_100000699130_100000761209 [0,1,0,1,0,0|2,0,0]=4 25841 B13R1.1988 O=[N+]([O-])CSCC1CCCCCC1 62a_200000696569_100000761209 [0,1,0,1,0,0|2,0,0]=4 25842 B13R1.3435 CCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210757 [0,1,0,1,0,0|1,0,0]=3 25843 B13R1.3435 CCCCOCN1CCC1C(=O)O 269956a_100000021838_100011995733 [0,1,0,1,0,0|2,0,0]=4 25844 B13R1.3435 CCCOCCN1CCC1C(=O)O 269956a_100000021838_100011215938 [0,1,0,1,0,0|2,0,0]=4 25845 B13R1.3435 CCOCCCN1CCC1C(=O)O 269956a_100000021838_100012232248 [0,1,0,1,0,0|2,0,0]=4 25846 B13R1.3435 COCCCCN1CCC1C(=O)O 269956a_100000021838_100000730899 [0,1,0,1,0,0|2,0,0]=4 25847 B13R1.3435 O=C(O)C1CCN1CCCCCF 269956a_100000021838_100000729378 [0,1,0,1,0,0|2,0,0]=4 25848 B13R1.3435 O=C(O)C1CCN1CCCCCO 269956a_100000021838_100000746330 [0,1,0,1,0,0|2,0,0]=4 25849 B13R1.3672 C=CCCCCOCC1CC1(C)C 34a_100000728257_100011215482 [0,1,0,1,0,0|2,0,0]=4 25850 B13R1.3672 C=CCCCCOCC1CC1(C)C 7a_100000728257_100011215482 [0,1,0,1,0,0|2,0,0]=4 25851 B13R1.3672 CC1(CC1COCCCCC=O)C 7a_100000728257_100000139335 [0,1,0,1,0,0|1,0,0]=3 25852 B13R1.3672 CC1(OC1COCCCCC=O)C 7a_200010283642_100000139335 [0,1,0,1,0,0|2,0,0]=4 25853 B13R1.3672 O=CCCCCCNC1CC1(F)F 2230a_100020610826_100000139337 [0,1,0,1,0,0|2,0,0]=4 25854 B13R1.3672 O=CCCCCOCC1CC1(F)F 7a_100000056500_100000139335 [0,1,0,1,0,0|2,0,0]=4 25855 B13R1.3672 O=CCCCCSCC1CC1(F)F 62a_100000139335_100009817841 [0,1,0,1,0,0|2,0,0]=4 25856 B13R1.3672 O=CCCCCSCC1CC1(F)F 62a_100009817841_100000139335 [0,1,0,1,0,0|2,0,0]=4 25857 B13R1.3672 O=CCCCOCCC1CC1(F)F 7a_100009864177_200011292268 [0,1,0,1,0,0|2,0,0]=4 25858 B13R1.9 C=C1CCN(CC1)CCCCC=O 2230a_100000752442_100000139335 [0,1,0,1,0,0|1,0,1]=4 25859 B13R1.9 C=C1CCN(CC1)CCCCC=O 269982a_100000752442_100000139335 [0,1,0,1,0,0|1,0,1]=4 25860 B13R1.9 C=CCCCCN1CCC(CC1)C 2230a_100000188429_100011215482 [0,1,0,1,0,0|2,0,0]=4 25861 B13R1.9 C=CCCCCN1CCC(CC1)C 269982a_100000188429_100011215482 [0,1,0,1,0,0|2,0,0]=4 25862 B13R1.9 C=CCCCCN1CCC(CC1)C 34a_100000188429_100011215482 [0,1,0,1,0,0|2,0,0]=4 25863 B13R1.9 C=CCCCCN1CCC(CC1)F 2230a_100015193889_100011215482 [0,1,0,1,0,0|2,0,0]=4 25864 B13R1.9 C=CCCCCN1CCC(CC1)F 269982a_100015193889_100011215482 [0,1,0,1,0,0|2,0,0]=4 25865 B13R1.9 C=CCCCCN1CCC(CC1)F 34a_100015193889_100011215482 [0,1,0,1,0,0|2,0,0]=4 25866 B13R1.9 C=CCCCCN1CCC(CC1)O 2230a_100025773856_100011215482 [0,1,0,1,0,0|2,0,0]=4 25867 B13R1.9 C=CCCCCN1CCC(CC1)O 269982a_100025773856_100011215482 [0,1,0,1,0,0|2,0,0]=4 25868 B13R1.9 C=CCCCNC1CCC(CC1)C 270004a_100000700776_100000185489 [0,1,0,1,0,0|2,0,0]=4 25869 B13R1.9 C=CCCCNC1CCC(CC1)C 34a_100000700776_200011216234 [0,1,0,1,0,0|2,0,0]=4 25870 B13R1.9 C=CCCCNC1CCC(CC1)O 270004a_100000700776_100000764474 [0,1,0,1,0,0|2,0,0]=4 25871 B13R1.9 C=CCCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100011713584 [0,1,0,1,0,0|2,0,0]=4 25872 B13R1.9 C=CCCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000757094 [0,1,0,1,0,0|2,0,0]=4 25873 B13R1.9 C=CCCCOC1CCC(CC1)C 34a_100000210714_100000757094 [0,1,0,1,0,0|2,0,0]=4 25874 B13R1.9 C=CCCCOC1CCC(CC1)C 34a_100000758997_200011216234 [0,1,0,1,0,0|2,0,0]=4 25875 B13R1.9 C=CCCCOC1CCC(CC1)C 7a_100000210714_100000757094 [0,1,0,1,0,0|2,0,0]=4 25876 B13R1.9 C=CCCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000757094 [0,1,0,1,0,0|2,0,0]=4 25877 B13R1.9 C=CCCCSC1CCC(CC1)C 62a_100011713584_200011216234 [0,1,0,1,0,0|2,0,0]=4 25878 B13R1.9 C=CCCNCC1CCC(CC1)C 2230a_103436935547_100000754431 [0,1,0,1,0,0|2,0,0]=4 25879 B13R1.9 C=CCCNCC1CCC(CC1)C 34a_103436935547_100000754431 [0,1,0,1,0,0|2,0,0]=4 25880 B13R1.9 C=CCCOCC1CCC(CC1)C 34a_100000701341_100000754431 [0,1,0,1,0,0|2,0,0]=4 25881 B13R1.9 C=CCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000754431 [0,1,0,1,0,0|2,0,0]=4 25882 B13R1.9 C=CCNCCC1CCC(CC1)O 34a_200011935226_100015514636 [0,1,0,1,0,0|2,0,0]=4 25883 B13R1.9 C=CCOCCC1CCC(CC1)N 34a_100000070672_100015514636 [0,1,0,1,0,0|2,0,0]=4 25884 B13R1.9 CC1CCC(CC1)OCCCC=O 7a_100000210714_200011292268 [0,1,0,1,0,0|1,0,0]=3 25885 B13R1.9 CC1CCC(CC1)SCCCC=O 62a_200011292268_200011216234 [0,1,0,1,0,0|1,0,0]=3 25886 B13R1.9 CC1CCN(CC1)CCCCC=O 2230a_100000188429_100000139335 [0,1,0,1,0,0|1,0,0]=3 25887 B13R1.9 CC1CCN(CC1)CCCCC=O 269982a_100000188429_100000139335 [0,1,0,1,0,0|1,0,0]=3 25888 B13R1.9 CN1CCC(CC1)SCCCC=O 62a_200011292268_100011215917 [0,1,0,1,0,0|2,0,0]=4 25889 B13R1.9 CN1CCN(CC1)CCCCC=O 2230a_100000188432_100000139335 [0,1,0,1,0,0|2,0,0]=4 25890 B13R1.9 CN1CCN(CC1)CCCCC=O 269982a_100000188432_100000139335 [0,1,0,1,0,0|2,0,0]=4 25891 B13R1.9 C[C@H]1CC[C@@H](CC1)NCCCC=O 2230a_100020625639_200011292268 [0,1,0,1,0,0|1,0,0]=3 25892 B13R1.9 NC1CCC(CC1)CCOCC=O 34a_100000070672_200009817547 [0,1,0,1,0,0|1,0,0]=3 25893 B13R1.9 O=CCCCCN1CCC(CC1)F 2230a_100015193889_100000139335 [0,1,0,1,0,0|1,0,0]=3 25894 B13R1.9 O=CCCCCN1CCC(CC1)F 269982a_100015193889_100000139335 [0,1,0,1,0,0|1,0,0]=3 25895 B13R1.9 O=CCCCCN1CCC(CC1)O 2230a_100025773856_100000139335 [0,1,0,1,0,0|1,0,0]=3 25896 B13R1.9 O=CCCCCN1CCC(CC1)O 269982a_100025773856_100000139335 [0,1,0,1,0,0|1,0,0]=3 25897 B13R1.9 O=CCCCCN1CCS(=O)CC1 2230a_100000752083_100000139335 [0,1,0,1,0,0|2,0,0]=4 25898 B13R1.9 O=CCCCCN1CCS(=O)CC1 269982a_100000752083_100000139335 [0,1,0,1,0,0|2,0,0]=4 25899 B13R1.9 O=CCCCOC1CCC(=O)CC1 7a_100000764474_200011292268 [0,1,0,1,0,0|1,0,1]=4 25900 B13R1.9 O=CCNCCC1CCC(CC1)O 34a_200011935226_200009817547 [0,1,0,1,0,0|1,0,0]=3 25901 B13R1.16 C=CCCNC1CCCC(C1C)C 2230a_100000211273_100000754431 [0,1,0,1,0,0|2,0,0]=4 25902 B13R1.16 C=CCCNC1CCCC(C1C)C 34a_100000211273_100000754431 [0,1,0,1,0,0|2,0,0]=4 25903 B13R1.16 C=CCCOC1CCCC(C1C)C 34a_100011217532_100000754431 [0,1,0,1,0,0|2,0,0]=4 25904 B13R1.16 C=CCCOC1CCCC(C1C)C 7a_100011217532_100000754431 [0,1,0,1,0,0|2,0,0]=4 25905 B13R1.91 C=CC(O)CN1CCCCC1CC 2230a_100000210034_100000730141 [0,1,0,1,0,0|2,0,0]=4 25906 B13R1.91 C=CC(O)CN1CCCCC1CC 34a_100000210034_100000730141 [0,1,0,1,0,0|2,0,0]=4 25907 B13R1.382 C=CC(C)N1CCCCC1CCC 269982a_100000701414_100011215867 [0,1,0,1,0,0|2,0,0]=4 25908 B13R1.527 CC(CF)OC1CCCCCC1=O 7a_100016041109_100000243696 [0,1,0,1,0,0|2,0,0]=4 25909 B13R1.527 CC(CO)SC1CCCCCC1=O 62a_100012180447_100000243696 [0,1,0,1,0,0|2,0,0]=4 25910 B13R1.527 CCC(=O)CN1CCCCCC1=O 1458a_100000181294_100000210202 [0,1,0,1,0,0|1,0,1]=4 25911 B13R1.527 CCC(C)NC1CCCCNC1=O 2230a_100000209981_100000735217 [0,1,0,1,0,0|2,0,0]=4 25912 B13R1.527 CCC(C)NC1CCCCNC1=O 2230a_100000698827_100000758301 [0,1,0,1,0,0|2,0,0]=4 25913 B13R1.527 CCC(C)NC1CCCCNC1=O 34a_100000698827_100011215416 [0,1,0,1,0,0|2,0,0]=4 25914 B13R1.527 CCC(C)OC1CCCCCC1=O 7a_100000210228_100000243696 [0,1,0,1,0,0|1,0,0]=3 25915 B13R1.527 CCC(C)OC1CCCCNC1=O 7a_100000210228_100000735217 [0,1,0,1,0,0|2,0,0]=4 25916 B13R1.527 CCC(C)SC1CCCCCC1=O 62a_100000243696_100000758301 [0,1,0,1,0,0|1,0,0]=3 25917 B13R1.527 CCC(C)SC1CCCCCC1=O 62a_100000758301_100000243696 [0,1,0,1,0,0|1,0,0]=3 25918 B13R1.527 CCC(C)SC1CCCCNC1=O 62a_100000735217_100000758301 [0,1,0,1,0,0|2,0,0]=4 25919 B13R1.527 CCC(C)SC1CCCCNC1=O 62a_100000758301_100000735217 [0,1,0,1,0,0|2,0,0]=4 25920 B13R1.527 COC(C)SC1CCCCCC1=O 62a_100000243696_100009879195 [0,1,0,1,0,0|2,0,0]=4 25921 B13R1.527 COC(C)SC1CCCCCC1=O 62a_100009879195_100000243696 [0,1,0,1,0,0|2,0,0]=4 25922 B13R1.527 C[C@H](CO)SC1CCCCCC1=O 62a_100000243696_100016084084 [0,1,0,1,0,0|2,0,0]=4 25923 B13R1.527 C[C@H](CO)SC1CCCCCC1=O 62a_100016084084_100000243696 [0,1,0,1,0,0|2,0,0]=4 25924 B13R1.528 C=CC(O)CNC1CCCCC1C 2230a_100000211402_100000730141 [0,1,0,1,0,0|2,0,0]=4 25925 B13R1.528 C=CC(O)CNC1CCCCC1C 34a_100000211402_100000730141 [0,1,0,1,0,0|2,0,0]=4 25926 B13R1.528 C=CC(O)COC1CCCCC1C 34a_100000211207_100000730141 [0,1,0,1,0,0|2,0,0]=4 25927 B13R1.528 C=CC(O)COC1CCCCC1C 7a_100000211207_100000730141 [0,1,0,1,0,0|2,0,0]=4 25928 B13R1.528 CC(CN)COC1CCCCC1=O 34a_100000744482_100000754470 [0,1,0,1,0,0|2,0,0]=4 25929 B13R1.528 CC(CO)CNC1CCCCC1=O 34a_100000744482_100000754470 [0,1,0,1,0,0|2,0,0]=4 25930 B13R1.528 CC(CO)OCC1CCCCC1=O 34a_100009861125_100012180447 [0,1,0,1,0,0|2,0,0]=4 25931 B13R1.528 CC(CO)OCC1CCCCC1=O 7a_100009861125_100012180447 [0,1,0,1,0,0|2,0,0]=4 25932 B13R1.528 CCC(=O)CCN1CCCCC1=O 1458a_100011236303_100000210202 [0,1,0,1,0,0|1,0,1]=4 25933 B13R1.528 CCC(=O)COC1CCCCC1=O 34a_100000725409_100000754470 [0,1,0,1,0,0|1,0,1]=4 25934 B13R1.528 CCC(=O)CSC1CCCCC1=O 62a_100000204591_100000747405 [0,1,0,1,0,0|1,0,1]=4 25935 B13R1.528 CCC(=O)CSC1CCCCC1=O 62a_100000747405_100000204591 [0,1,0,1,0,0|1,0,1]=4 25936 B13R1.528 CCC(C)CNC1CCCNC1=O 2230a_100000747585_100000748023 [0,1,0,1,0,0|2,0,0]=4 25937 B13R1.528 CCC(C)CNC1CCCNC1=O 2230a_100020588543_100000687798 [0,1,0,1,0,0|2,0,0]=4 25938 B13R1.528 CCC(C)CNC1CCCNC1=O 270004a_100000747585_100000243153 [0,1,0,1,0,0|2,0,0]=4 25939 B13R1.528 CCC(C)CNC1CCCNC1=O 34a_100000747585_100000748023 [0,1,0,1,0,0|2,0,0]=4 25940 B13R1.528 CCC(C)COC1CCCCC1=O 34a_100011214950_100000748023 [0,1,0,1,0,0|1,0,0]=3 25941 B13R1.528 CCC(C)COC1CCCNC1=O 34a_100000073722_100000748023 [0,1,0,1,0,0|2,0,0]=4 25942 B13R1.528 CCC(C)CSC1CCCCC1=O 62a_100000204591_100000748023 [0,1,0,1,0,0|1,0,0]=3 25943 B13R1.528 CCC(C)CSC1CCCCC1=O 62a_100000748023_100000204591 [0,1,0,1,0,0|1,0,0]=3 25944 B13R1.528 CCC(C)CSC1CCCNC1=O 62a_100000687798_100000748023 [0,1,0,1,0,0|2,0,0]=4 25945 B13R1.528 CCC(C)CSC1CCCNC1=O 62a_100000748023_100000687798 [0,1,0,1,0,0|2,0,0]=4 25946 B13R1.528 CCC(C)CSC1COCCC1=O 62a_100000748023_100012180262 [0,1,0,1,0,0|2,0,0]=4 25947 B13R1.528 CCC(C)CSC1COCCC1=O 62a_100012180262_100000748023 [0,1,0,1,0,0|2,0,0]=4 25948 B13R1.528 CCC(C)OCC1CCCCC1=O 34a_100009861125_100011215416 [0,1,0,1,0,0|1,0,0]=3 25949 B13R1.528 CCC(C)OCC1CCCCC1=O 7a_100009861125_100000758301 [0,1,0,1,0,0|1,0,0]=3 25950 B13R1.528 CCC(O)CNC1CCCNC1=O 2230a_100000747585_100011218378 [0,1,0,1,0,0|2,0,0]=4 25951 B13R1.528 CCC(O)CNC1CCCNC1=O 2230a_100011218483_100000687798 [0,1,0,1,0,0|2,0,0]=4 25952 B13R1.528 CCC(O)CNC1CCCNC1=O 34a_100000747585_100011218378 [0,1,0,1,0,0|2,0,0]=4 25953 B13R1.528 CCC(O)COC1CCCCC1=O 34a_100011214950_100011218378 [0,1,0,1,0,0|1,0,0]=3 25954 B13R1.528 CCC(O)COC1CCCNC1=O 34a_100000073722_100011218378 [0,1,0,1,0,0|2,0,0]=4 25955 B13R1.528 CCC(O)CSC1CCCCC1=O 62a_100000204591_100011218378 [0,1,0,1,0,0|1,0,0]=3 25956 B13R1.528 CCC(O)CSC1CCCCC1=O 62a_100011218378_100000204591 [0,1,0,1,0,0|1,0,0]=3 25957 B13R1.528 CCC(O)CSC1CCCNC1=O 62a_100000687798_100011218378 [0,1,0,1,0,0|2,0,0]=4 25958 B13R1.528 CCC(O)CSC1CCCNC1=O 62a_100011218378_100000687798 [0,1,0,1,0,0|2,0,0]=4 25959 B13R1.528 CCC(O)CSC1COCCC1=O 62a_100011218378_100012180262 [0,1,0,1,0,0|2,0,0]=4 25960 B13R1.528 CCC(O)CSC1COCCC1=O 62a_100012180262_100011218378 [0,1,0,1,0,0|2,0,0]=4 25961 B13R1.528 CC[C@H](C)CNC1CCCNC1=O 2230a_100000747585_100009816398 [0,1,0,1,0,0|2,0,0]=4 25962 B13R1.528 CC[C@H](C)CNC1CCCNC1=O 34a_100000747585_100009816398 [0,1,0,1,0,0|2,0,0]=4 25963 B13R1.528 CC[C@H](C)COC1CCCCC1=O 34a_100011214950_100009816398 [0,1,0,1,0,0|1,0,0]=3 25964 B13R1.528 CC[C@H](C)COC1CCCCC1=O 7a_100009816381_100000204591 [0,1,0,1,0,0|1,0,0]=3 25965 B13R1.528 CC[C@H](C)COC1CCCNC1=O 34a_100000073722_100009816398 [0,1,0,1,0,0|2,0,0]=4 25966 B13R1.528 CC[C@H](C)COC1CCCNC1=O 7a_100009816381_100000687798 [0,1,0,1,0,0|2,0,0]=4 25967 B13R1.528 CC[C@H](C)COC1COCCC1=O 7a_100009816381_100012180262 [0,1,0,1,0,0|2,0,0]=4 25968 B13R1.528 CC[C@H](C)CSC1CCCCC1=O 62a_100000204591_100009816398 [0,1,0,1,0,0|1,0,0]=3 25969 B13R1.528 CC[C@H](C)CSC1CCCCC1=O 62a_100009816398_100000204591 [0,1,0,1,0,0|1,0,0]=3 25970 B13R1.528 CC[C@H](C)CSC1CCCNC1=O 62a_100000687798_100009816398 [0,1,0,1,0,0|2,0,0]=4 25971 B13R1.528 CC[C@H](C)CSC1CCCNC1=O 62a_100009816398_100000687798 [0,1,0,1,0,0|2,0,0]=4 25972 B13R1.528 CC[C@H](C)CSC1COCCC1=O 62a_100009816398_100012180262 [0,1,0,1,0,0|2,0,0]=4 25973 B13R1.528 CC[C@H](C)CSC1COCCC1=O 62a_100012180262_100009816398 [0,1,0,1,0,0|2,0,0]=4 25974 B13R1.528 COC(C)COC1CCCCC1=O 34a_100000690652_100000754470 [0,1,0,1,0,0|2,0,0]=4 25975 B13R1.528 C[C@@H](CO)COC1CCCCC1=O 34a_100011214950_100000059175 [0,1,0,1,0,0|2,0,0]=4 25976 B13R1.528 C[C@@H](CO)CSC1CCCCC1=O 62a_100000059175_100000204591 [0,1,0,1,0,0|2,0,0]=4 25977 B13R1.528 C[C@@H](CO)CSC1CCCCC1=O 62a_100000204591_100000059175 [0,1,0,1,0,0|2,0,0]=4 25978 B13R1.528 NC[C@@H](F)COC1CCCCC1=O 34a_100015665980_100000754470 [0,1,0,1,0,0|2,0,0]=4 25979 B13R1.528 O=C1CCCCC1NC[C@@H](F)CO 34a_100015665980_100000754470 [0,1,0,1,0,0|2,0,0]=4 25980 B13R1.528 O=C1CCCCC1OCC(Cl)CCl 34a_100000033668_100000754470 [0,1,0,1,0,0|2,0,0]=4 25981 B13R1.528 O=C1CCCCC1OCC(O)CO 34a_100011214950_100011219619 [0,1,0,1,0,0|2,0,0]=4 25982 B13R1.528 O=C1CCCCC1OC[C@@H](O)CF 34a_100011214950_100015614560 [0,1,0,1,0,0|2,0,0]=4 25983 B13R1.528 O=C1CCCCC1OC[C@@H](O)CO 34a_100011214950_100009815848 [0,1,0,1,0,0|2,0,0]=4 25984 B13R1.528 O=C1CCCCC1SCC(O)CO 62a_100000204591_100011219619 [0,1,0,1,0,0|2,0,0]=4 25985 B13R1.528 O=C1CCCCC1SCC(O)CO 62a_100011219619_100000204591 [0,1,0,1,0,0|2,0,0]=4 25986 B13R1.528 O=C1CCCCC1SC[C@@H](O)CF 62a_100000204591_100015614560 [0,1,0,1,0,0|2,0,0]=4 25987 B13R1.528 O=C1CCCCC1SC[C@@H](O)CF 62a_100015614560_100000204591 [0,1,0,1,0,0|2,0,0]=4 25988 B13R1.528 O=C1CCCCC1SC[C@@H](O)CO 62a_100000204591_100009815848 [0,1,0,1,0,0|2,0,0]=4 25989 B13R1.528 O=C1CCCCC1SC[C@@H](O)CO 62a_100009815848_100000204591 [0,1,0,1,0,0|2,0,0]=4 25990 B13R1.536 C=CC(C)COCCC1CCCC1 34a_100011215527_100000760354 [0,1,0,1,0,0|2,0,0]=4 25991 B13R1.536 C=CC(C)COCCC1CCCC1 7a_100011215527_100000760354 [0,1,0,1,0,0|2,0,0]=4 25992 B13R1.536 C=CC(C)OCCCC1CCCC1 34a_100000695699_100011713738 [0,1,0,1,0,0|2,0,0]=4 25993 B13R1.536 C=CC(C)SCCCC1CCCC1 62a_100011215867_100011713738 [0,1,0,1,0,0|2,0,0]=4 25994 B13R1.536 C=CC(O)CNCCC1CCCC1 2230a_100000739158_100000730141 [0,1,0,1,0,0|2,0,0]=4 25995 B13R1.536 C=CC(O)CNCCC1CCCC1 34a_100000739158_100000730141 [0,1,0,1,0,0|2,0,0]=4 25996 B13R1.536 C=CC(O)COCCC1CCCC1 34a_100000749090_100000730141 [0,1,0,1,0,0|2,0,0]=4 25997 B13R1.536 C=CC(O)COCCC1CCCC1 7a_100000749090_100000730141 [0,1,0,1,0,0|2,0,0]=4 25998 B13R1.536 C=CC(O)CSCCC1CCCC1 62a_100000730141_100000760354 [0,1,0,1,0,0|2,0,0]=4 25999 B13R1.536 C=CC(O)CSCCC1CCCC1 62a_100000760354_100000730141 [0,1,0,1,0,0|2,0,0]=4 26000 B13R1.536 C=C[C@H](N)COCCC1CCCC1 34a_100016989147_100000760354 [0,1,0,1,0,0|2,0,0]=4 26001 B13R1.595 CCC(=O)CSCCC1CCC1=O 62a_100000747405_200016118888 [0,1,0,1,0,0|1,0,1]=4 26002 B13R1.595 CCC(=O)CSCCC1CCC1=O 62a_200016118888_100000747405 [0,1,0,1,0,0|1,0,1]=4 26003 B13R1.595 CCC(C)CCCOC1CCC1=O 7a_100011216074_100009892977 [0,1,0,1,0,0|1,0,0]=3 26004 B13R1.595 CCC(C)CNCCC1CCC1=O 2230a_100020588543_200016118888 [0,1,0,1,0,0|1,0,0]=3 26005 B13R1.595 CCC(C)CSCCC1CCC1=O 62a_100000748023_200016118888 [0,1,0,1,0,0|1,0,0]=3 26006 B13R1.595 CCC(C)CSCCC1CCC1=O 62a_200016118888_100000748023 [0,1,0,1,0,0|1,0,0]=3 26007 B13R1.595 CCC(O)CNCCC1CCC1=O 2230a_100011218483_200016118888 [0,1,0,1,0,0|1,0,0]=3 26008 B13R1.595 CCC(O)CSCCC1CCC1=O 62a_100011218378_200016118888 [0,1,0,1,0,0|1,0,0]=3 26009 B13R1.595 CCC(O)CSCCC1CCC1=O 62a_200016118888_100011218378 [0,1,0,1,0,0|1,0,0]=3 26010 B13R1.595 CCN(C)CCCSC1CCC1=O 62a_100009892977_100015186262 [0,1,0,1,0,0|2,0,0]=4 26011 B13R1.595 CC[C@H](C)COCCC1CCC1=O 7a_100009816381_200016118888 [0,1,0,1,0,0|1,0,0]=3 26012 B13R1.595 CC[C@H](C)CSCCC1CCC1=O 62a_100009816398_200016118888 [0,1,0,1,0,0|1,0,0]=3 26013 B13R1.595 CC[C@H](C)CSCCC1CCC1=O 62a_200016118888_100009816398 [0,1,0,1,0,0|1,0,0]=3 26014 B13R1.595 CO[C@H](C)CNCCC1CCC1=O 2230a_100020591295_200016118888 [0,1,0,1,0,0|2,0,0]=4 26015 B13R1.595 C[C@@H](CN)CCCOC1CCC1=O 34a_100160569302_100009892977 [0,1,0,1,0,0|2,0,0]=4 26016 B13R1.595 C[C@@H](CO)CSCCC1CCC1=O 62a_100000059175_200016118888 [0,1,0,1,0,0|2,0,0]=4 26017 B13R1.595 C[C@@H](CO)CSCCC1CCC1=O 62a_200016118888_100000059175 [0,1,0,1,0,0|2,0,0]=4 26018 B13R1.595 O=C1CCC1CCNC[C@H](O)CO 2230a_100020644852_200016118888 [0,1,0,1,0,0|2,0,0]=4 26019 B13R1.595 O=C1CCC1CCSCC(O)CO 62a_100011219619_200016118888 [0,1,0,1,0,0|2,0,0]=4 26020 B13R1.595 O=C1CCC1CCSCC(O)CO 62a_200016118888_100011219619 [0,1,0,1,0,0|2,0,0]=4 26021 B13R1.595 O=C1CCC1CCSC[C@@H](O)CF 62a_100015614560_200016118888 [0,1,0,1,0,0|2,0,0]=4 26022 B13R1.595 O=C1CCC1CCSC[C@@H](O)CF 62a_200016118888_100015614560 [0,1,0,1,0,0|2,0,0]=4 26023 B13R1.595 O=C1CCC1CCSC[C@@H](O)CO 62a_100009815848_200016118888 [0,1,0,1,0,0|2,0,0]=4 26024 B13R1.595 O=C1CCC1CCSC[C@@H](O)CO 62a_200016118888_100009815848 [0,1,0,1,0,0|2,0,0]=4 26025 B13R1.599 CC(CO)CCNC1CCCC1=O 2230a_106354213184_100000211823 [0,1,0,1,0,0|2,0,0]=4 26026 B13R1.599 CC(CO)CCNC1CCCC1=O 34a_106354213184_100000709159 [0,1,0,1,0,0|2,0,0]=4 26027 B13R1.599 CCC(C)CCNC1CCCC1=O 2230a_100020591266_100000211823 [0,1,0,1,0,0|1,0,0]=3 26028 B13R1.599 CCC(C)CCNC1CCOC1=O 2230a_100020591266_100000211211 [0,1,0,1,0,0|2,0,0]=4 26029 B13R1.599 CCC(C)CCOC1CCCC1=O 7a_100011215188_100000211823 [0,1,0,1,0,0|1,0,0]=3 26030 B13R1.599 CCC(C)CCOC1CCOC1=O 7a_100011215188_100000211211 [0,1,0,1,0,0|2,0,0]=4 26031 B13R1.599 CCC(C)COCC1CCNC1=O 34a_100000133458_100000748023 [0,1,0,1,0,0|2,0,0]=4 26032 B13R1.599 CCC(C)CSCN1CCCC1=O 62a_100000026320_100000748023 [0,1,0,1,0,0|2,0,0]=4 26033 B13R1.599 CCC(C)CSCN1CCCC1=O 62a_100000748023_100000026320 [0,1,0,1,0,0|2,0,0]=4 26034 B13R1.599 CCC(C)NCCN1CCCC1=O 2230a_100000209981_100000739059 [0,1,0,1,0,0|2,0,0]=4 26035 B13R1.599 CCC(C)NCCN1CCCC1=O 2230a_100011200922_100000758301 [0,1,0,1,0,0|2,0,0]=4 26036 B13R1.599 CCC(C)OCCN1CCCC1=O 34a_100000211209_100011215416 [0,1,0,1,0,0|2,0,0]=4 26037 B13R1.599 CCC(C)OCCN1CCCC1=O 7a_100000210228_100000739059 [0,1,0,1,0,0|2,0,0]=4 26038 B13R1.599 CCC(C)OCCN1CCCC1=O 7a_100000211209_100000758301 [0,1,0,1,0,0|2,0,0]=4 26039 B13R1.599 CCC(C)SCCN1CCCC1=O 62a_100000739059_100000758301 [0,1,0,1,0,0|2,0,0]=4 26040 B13R1.599 CCC(C)SCCN1CCCC1=O 62a_100000758301_100000739059 [0,1,0,1,0,0|2,0,0]=4 26041 B13R1.599 CCC(O)COCC1CCNC1=O 34a_100000133458_100011218378 [0,1,0,1,0,0|2,0,0]=4 26042 B13R1.599 CCC(O)CSCN1CCCC1=O 62a_100000026320_100011218378 [0,1,0,1,0,0|2,0,0]=4 26043 B13R1.599 CCC(O)CSCN1CCCC1=O 62a_100011218378_100000026320 [0,1,0,1,0,0|2,0,0]=4 26044 B13R1.599 CC[C@H](C)COCC1CCNC1=O 34a_100000133458_100009816398 [0,1,0,1,0,0|2,0,0]=4 26045 B13R1.599 CC[C@H](C)CSCN1CCCC1=O 62a_100000026320_100009816398 [0,1,0,1,0,0|2,0,0]=4 26046 B13R1.599 CC[C@H](C)CSCN1CCCC1=O 62a_100009816398_100000026320 [0,1,0,1,0,0|2,0,0]=4 26047 B13R1.599 COC(C)CCOC1CCCC1=O 7a_100000764861_100000211823 [0,1,0,1,0,0|2,0,0]=4 26048 B13R1.672 C[C@]1(CCCN1CCCC=O)CO 2230a_100016195882_200011292268 [0,1,0,1,0,0|2,0,0]=4 26049 B13R1.672 C[C@]1(CCCN1CCCC=O)CO 269982a_100016195882_200011292268 [0,1,0,1,0,0|2,0,0]=4 26050 B13R1.718 C=CC(=O)CCCC1CCCCC1 1458a_100000185746_100011713725 [0,1,0,1,0,0|1,0,1]=4 26051 B13R1.718 C=CC(C)COCC1CCCCC1 34a_100011215527_100000211423 [0,1,0,1,0,0|2,0,0]=4 26052 B13R1.718 C=CC(C)COCC1CCCCC1 7a_100011215527_100000211423 [0,1,0,1,0,0|2,0,0]=4 26053 B13R1.718 C=CC(C)OCCC1CCCCC1 34a_100000695699_100011209188 [0,1,0,1,0,0|2,0,0]=4 26054 B13R1.718 C=CC(C)SCCC1CCCCC1 62a_100011215867_100012355289 [0,1,0,1,0,0|2,0,0]=4 26055 B13R1.718 C=CC(O)CNCC1CCCCC1 2230a_100000210473_100000730141 [0,1,0,1,0,0|2,0,0]=4 26056 B13R1.718 C=CC(O)CNCC1CCCCC1 34a_100000210473_100000730141 [0,1,0,1,0,0|2,0,0]=4 26057 B13R1.718 C=CC(O)COCC1CCCCC1 34a_100000212181_100000730141 [0,1,0,1,0,0|2,0,0]=4 26058 B13R1.718 C=CC(O)COCC1CCCCC1 7a_100000212181_100000730141 [0,1,0,1,0,0|2,0,0]=4 26059 B13R1.718 C=CC(O)CSCC1CCCCC1 62a_100000211423_100000730141 [0,1,0,1,0,0|2,0,0]=4 26060 B13R1.718 C=CC(O)CSCC1CCCCC1 62a_100000730141_100000211423 [0,1,0,1,0,0|2,0,0]=4 26061 B13R1.718 C=C[C@H](N)COCC1CCCCC1 34a_100016989147_100000211423 [0,1,0,1,0,0|2,0,0]=4 26062 B13R1.718 CCC(C)CCNC1C=CCCC1 2230a_100020591266_100000751183 [0,1,0,1,0,0|2,0,0]=4 26063 B13R1.718 CCC(C)CCOC1C=CCCC1 7a_100011215188_100000751183 [0,1,0,1,0,0|2,0,0]=4 26064 B13R1.1689 C=CC(C)N1CCCCCCCC1 269982a_100000039187_100011215867 [0,1,0,1,0,0|2,0,0]=4 26065 B13R1.1711 C=CC(C)COC1CCCCCC1 34a_100011215527_100011217769 [0,1,0,1,0,0|2,0,0]=4 26066 B13R1.1711 C=CC(C)OCC1CCCCCC1 34a_100000695699_200000696569 [0,1,0,1,0,0|2,0,0]=4 26067 B13R1.1711 C=CC(C)SCC1CCCCCC1 62a_100011215867_200000696569 [0,1,0,1,0,0|2,0,0]=4 26068 B13R1.1711 C=CC(O)CNC1CCCCCC1 2230a_100000210984_100000730141 [0,1,0,1,0,0|2,0,0]=4 26069 B13R1.1711 C=CC(O)CNC1CCCCCC1 34a_100000210984_100000730141 [0,1,0,1,0,0|2,0,0]=4 26070 B13R1.1711 C=CC(O)COC1CCCCCC1 34a_100000210887_100000730141 [0,1,0,1,0,0|2,0,0]=4 26071 B13R1.1711 C=CC(O)COC1CCCCCC1 7a_100000210887_100000730141 [0,1,0,1,0,0|2,0,0]=4 26072 B13R1.1711 C=CC(O)CSC1CCCCCC1 62a_100000730141_100011217769 [0,1,0,1,0,0|2,0,0]=4 26073 B13R1.1711 C=CC(O)CSC1CCCCCC1 62a_100011217769_100000730141 [0,1,0,1,0,0|2,0,0]=4 26074 B13R1.1711 C=C[C@H](N)COC1CCCCCC1 34a_100016989147_100011217769 [0,1,0,1,0,0|2,0,0]=4 26075 B13R1.1870 C=CC(O)CN1CCCCCCC1 2230a_100000211400_100000730141 [0,1,0,1,0,0|2,0,0]=4 26076 B13R1.1870 C=CC(O)CN1CCCCCCC1 34a_100000211400_100000730141 [0,1,0,1,0,0|2,0,0]=4 26077 B13R1.1870 CCC(C)OC1C=CCCCCC1 34a_100000688657_100011215416 [0,1,0,1,0,0|2,0,0]=4 26078 B13R1.1917 CCCNC1CCCCN(C1=O)C 2230a_100159325733_100000210303 [0,1,0,1,0,0|2,0,0]=4 26079 B13R1.1917 CCCNC1CCCCN(C1=O)C 34a_100159325733_100000210303 [0,1,0,1,0,0|2,0,0]=4 26080 B13R1.2437 C=CCCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000700193 [0,1,0,1,0,0|2,0,0]=4 26081 B13R1.2437 C=CCCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000700193 [0,1,0,1,0,0|2,0,0]=4 26082 B13R1.2437 C[C@H]1[C@H](CN1CCCCCC=O)O 2230a_206633788156_100000139337 [0,1,0,1,0,0|1,0,0]=3 26083 B13R1.2437 C[C@H]1[C@H](CN1CCCCCC=O)O 269982a_206633788156_100000139337 [0,1,0,1,0,0|1,0,0]=3 26084 B13R1.2938 C=CCCCCCCNC1(CC1)C 2230a_100000757604_100011215473 [0,1,0,1,0,0|2,0,0]=4 26085 B13R1.2938 C=CCCCCCCOC1(CC1)C 7a_100011725673_100011215473 [0,1,0,1,0,0|2,0,0]=4 26086 B13R1.2938 C=CCCCCCNCC1(CC1)C 2230a_100000766693_100000700193 [0,1,0,1,0,0|2,0,0]=4 26087 B13R1.2938 C=CCCCCCNCC1(CC1)O 2230a_100011936951_100000700193 [0,1,0,1,0,0|2,0,0]=4 26088 B13R1.2938 C=CCCCCCOCC1(CC1)C 7a_100000698024_100000700193 [0,1,0,1,0,0|2,0,0]=4 26089 B13R1.2938 C=CCCCCCOCC1(CC1)F 34a_200000703853_100000700193 [0,1,0,1,0,0|2,0,0]=4 26090 B13R1.2938 C=CCCCCCOCC1(CC1)F 7a_200000703853_100000700193 [0,1,0,1,0,0|2,0,0]=4 26091 B13R1.2938 CC1(CC1)CNCCCCCC=O 2230a_100000766693_100000139337 [0,1,0,1,0,0|1,0,0]=3 26092 B13R1.2938 CC1(CC1)COCCCCCC=O 7a_100000698024_100000139337 [0,1,0,1,0,0|1,0,0]=3 26093 B13R1.2938 CC1(CO1)CSCCCCCC=O 62a_100000139337_100000760498 [0,1,0,1,0,0|2,0,0]=4 26094 B13R1.2938 CC1(CO1)CSCCCCCC=O 62a_100000760498_100000139337 [0,1,0,1,0,0|2,0,0]=4 26095 B13R1.2938 O=CCCCCCNCC1(CC1)O 2230a_100011936951_100000139337 [0,1,0,1,0,0|1,0,0]=3 26096 B13R1.2938 O=CCCCCCOCC1(CC1)F 7a_200000703853_100000139337 [0,1,0,1,0,0|1,0,0]=3 26097 B13R1.3440 CCCCCNC1CCN(C1=O)C 2230a_100000209983_100000755940 [0,1,0,1,0,0|2,0,0]=4 26098 B13R1.3440 CCCCCOC1CCN(C1=O)C 34a_100000210253_100000755940 [0,1,0,1,0,0|2,0,0]=4 26099 B13R1.3440 CCCCCOC1CCN(C1=O)C 7a_100000210253_100000755940 [0,1,0,1,0,0|2,0,0]=4 26100 B13R1.3440 CCCCCSC1CCN(C1=O)C 62a_100000210326_100000755940 [0,1,0,1,0,0|2,0,0]=4 26101 B13R1.3440 CCCCCSC1CCN(C1=O)C 62a_100000755940_100000210326 [0,1,0,1,0,0|2,0,0]=4 26102 B13R1.3440 CCCCOCC1CCN(C1=O)C 34a_100009823153_100000210210 [0,1,0,1,0,0|2,0,0]=4 26103 B13R2.15 CN1CCCC1C2CCCCC2 2230a_100011206067_200000210301 [0,0,0,2,0,0|2,0,0]=4 26104 B13R2.15 CN1CCCC1C2CCCCC2 269982a_100011206067_200000210301 [0,0,0,2,0,0|2,0,0]=4 26105 B13R2.15 CN1CCCC1C2CCCCC2 34a_100011206067_200000210301 [0,0,0,2,0,0|2,0,0]=4 26106 B13R2.15 C[C@@H]1CCCN1C2C=CCCC2 2230a_100015189458_100000751183 [0,0,0,2,0,0|2,0,0]=4 26107 B13R2.15 C[C@@H]1CCCN1C2C=CCCC2 269982a_100015189458_100000751183 [0,0,0,2,0,0|2,0,0]=4 26108 B13R2.15 C[C@H]1CCCN1C2C=CCCC2 2230a_100020605311_100000751183 [0,0,0,2,0,0|2,0,0]=4 26109 B13R2.15 C[C@H]1CCCN1C2C=CCCC2 269982a_100020605311_100000751183 [0,0,0,2,0,0|2,0,0]=4 26110 B13R2.15 O=C1CCCC1N2CCCOC2 2230a_100000131196_100000211823 [0,0,0,2,0,0|2,0,0]=4 26111 B13R2.15 O=C1CCCC1N2CCCOC2 269982a_100000131196_100000211823 [0,0,0,2,0,0|2,0,0]=4 26112 B13R2.15 O=C1CCCC1N2CCCOC2 34a_100000131196_100000709159 [0,0,0,2,0,0|2,0,0]=4 26113 B13R2.15 O=C1CCCC1N2CCOCC2 2230a_100015191051_100000211823 [0,0,0,2,0,0|2,0,0]=4 26114 B13R2.15 O=C1CCCC1N2CCOCC2 269982a_100015191051_100000211823 [0,0,0,2,0,0|2,0,0]=4 26115 B13R2.15 O=C1CCCC1N2CCOCC2 34a_100015191051_100000709159 [0,0,0,2,0,0|2,0,0]=4 26116 B13R2.15 O=C1CCCC1N2CCSCC2 2230a_100000737611_100000211823 [0,0,0,2,0,0|2,0,0]=4 26117 B13R2.15 O=C1CCCC1N2CCSCC2 269982a_100000737611_100000211823 [0,0,0,2,0,0|2,0,0]=4 26118 B13R2.15 [13CH3]N1CCCC1C2CCCCC2 2230a_100011206067_200025704644 [0,0,0,2,0,0|2,0,0]=4 26119 B13R2.15 [13CH3]N1CCCC1C2CCCCC2 269982a_100011206067_200025704644 [0,0,0,2,0,0|2,0,0]=4 26120 B13R2.15 [13CH3]N1CCCC1C2CCCCC2 34a_100011206067_200025704644 [0,0,0,2,0,0|2,0,0]=4 26121 B13R2.17 CC1CC1COC2C=CCCC2 7a_100000744939_100000751183 [0,0,0,2,0,0|2,0,0]=4 26122 B13R2.27 O=C1CCC1NC2CCCCC2 34a_100000182618_100009892977 [0,0,0,2,0,0|1,0,0]=3 26123 B13R2.27 O=C1CCC1NC2CCCOC2 34a_100000719290_100009892977 [0,0,0,2,0,0|2,0,0]=4 26124 B13R2.27 O=C1CCC1NC2CCOCC2 34a_100000741149_100009892977 [0,0,0,2,0,0|2,0,0]=4 26125 B13R2.27 O=C1CCC1NC2CCSCC2 34a_100000748639_100009892977 [0,0,0,2,0,0|2,0,0]=4 26126 B13R2.27 O=C1CCC1OC2CCCCC2 34a_100000210231_100009892977 [0,0,0,2,0,0|1,0,0]=3 26127 B13R2.27 O=C1CCC1OC2CCCCC2 7a_100000210231_100009892977 [0,0,0,2,0,0|1,0,0]=3 26128 B13R2.27 O=C1CCC1OC2CCCCO2 34a_100000033831_100009892977 [0,0,0,2,0,0|2,0,0]=4 26129 B13R2.27 O=C1CCC1OC2CCCOC2 34a_100000754041_100009892977 [0,0,0,2,0,0|2,0,0]=4 26130 B13R2.27 O=C1CCC1OC2CCCSC2 7a_100015962668_100009892977 [0,0,0,2,0,0|2,0,0]=4 26131 B13R2.27 O=C1CCC1OC2CCOCC2 34a_100000744328_100009892977 [0,0,0,2,0,0|2,0,0]=4 26132 B13R2.27 O=C1CCC1OC2CCSCC2 34a_100000731022_100009892977 [0,0,0,2,0,0|2,0,0]=4 26133 B13R2.27 O=C1CCC1OC2CCSCC2 7a_100000731022_100009892977 [0,0,0,2,0,0|2,0,0]=4 26134 B13R2.27 O=C1CCC1SC2CCCCC2 62a_100000210327_100009892977 [0,0,0,2,0,0|1,0,0]=3 26135 B13R2.27 O=C1CCC1SC2CCCCC2 62a_100009892977_100000210327 [0,0,0,2,0,0|1,0,0]=3 26136 B13R2.27 O=C1CCC1SC2CCCOC2 62a_100009892977_100000693364 [0,0,0,2,0,0|2,0,0]=4 26137 B13R2.27 O=C1CCC1SC2CCOCC2 62a_100009892977_100011324220 [0,0,0,2,0,0|2,0,0]=4 26138 B13R2.27 O=C1CCC1SC2CCSCC2 62a_100009892977_100000069128 [0,0,0,2,0,0|2,0,0]=4 26139 B13R2.64 C1=CC(CCC1)NC2CCCC2 2230a_100000211070_100000751183 [0,0,0,2,0,0|2,0,0]=4 26140 B13R2.64 C1=CC(CCC1)OC2CCCC2 34a_100011215024_100000179811 [0,0,0,2,0,0|2,0,0]=4 26141 B13R2.64 C1=CC(CCC1)OC2CCCC2 7a_100000210269_100000751183 [0,0,0,2,0,0|2,0,0]=4 26142 B13R2.64 C1=CC(CCC1)SC2CCCC2 62a_100000751183_100000179811 [0,0,0,2,0,0|2,0,0]=4 26143 B13R2.64 C1=CC(CCC1)SC2CCCC2 62a_100011217020_100000751183 [0,0,0,2,0,0|2,0,0]=4 26144 B13R2.256 O=CCN1CCN2CCC1CC2 269982a_100000027273_200015260668 [0,0,0,2,0,0|2,0,0]=4 26145 B13R2.510 C=CCCN1CC2CCC1CC2 2230a_100000750499_100000754431 [0,0,0,2,0,0|2,0,0]=4 26146 B13R2.510 C=CCCN1CC2CCC1CC2 269982a_100000750499_100000754431 [0,0,0,2,0,0|2,0,0]=4 26147 B13R2.510 C=CCCN1CC2CCC1CC2 34a_100000750499_100000754431 [0,0,0,2,0,0|2,0,0]=4 26148 B13R2.510 CCNCC1CC2C=CC1CC2 269862a_100015525214_100010619355 [0,0,0,2,0,0|2,0,0]=4 26149 B13R2.510 O=CCN[C@H]1CN2CCC1CC2 2230a_100016987387_200015260668 [0,0,0,2,0,0|2,0,0]=4 26150 B13R2.745 C=CCCCCN1CC2CC2C1 2230a_100000741873_100011215482 [0,0,0,2,0,0|2,0,0]=4 26151 B13R2.745 C=CCCCCN1CC2CC2C1 269982a_100000741873_100011215482 [0,0,0,2,0,0|2,0,0]=4 26152 B13R2.745 C=CCCCCN1CC2CC2C1 34a_100000741873_100011215482 [0,0,0,2,0,0|2,0,0]=4 26153 B13R2.745 C=CCCCNC1CC2CC2C1 270004a_100000700776_100010340937 [0,0,0,2,0,0|2,0,0]=4 26154 B13R2.745 O=CCCCCN1CC2CC2C1 2230a_100000741873_100000139335 [0,0,0,2,0,0|1,0,0]=3 26155 B13R2.745 O=CCCCCN1CC2CC2C1 269982a_100000741873_100000139335 [0,0,0,2,0,0|1,0,0]=3 26156 B13R2.1234 O=CCCCNC1C2C1COC2 2230a_100000702821_200011292268 [0,0,0,2,0,0|2,0,0]=4 26157 B13R2.1613 CNC1CCCC2C1CCCC2 269862a_106832991636_100000032293 [0,0,0,2,0,0|2,0,0]=4 26158 B13R2.1613 COC1CCCC2C1CCCC2 34a_100000042559_200000210301 [0,0,0,2,0,0|2,0,0]=4 26159 B13R2.1613 COC1CCCC2C1CCCC2 7a_100000042559_200000210301 [0,0,0,2,0,0|2,0,0]=4 26160 B13R2.1613 [13CH3]OC1CCCC2C1CCCC2 34a_100000042559_200025704644 [0,0,0,2,0,0|2,0,0]=4 26161 B13R2.1613 [13CH3]OC1CCCC2C1CCCC2 7a_100000042559_200025704644 [0,0,0,2,0,0|2,0,0]=4 26162 B13R2.2382 C1=CC(CCC1)OCCC2CC2 34a_100011215024_100000694398 [0,0,0,2,0,0|2,0,0]=4 26163 B13R2.2382 C1=CC(CCC1)OCCC2CC2 7a_100000754188_100000751183 [0,0,0,2,0,0|2,0,0]=4 26164 B13R2.2382 C1=CC(CCC1)SCCC2CC2 62a_100000751183_100000764125 [0,0,0,2,0,0|2,0,0]=4 26165 B13R2.2382 C1=CC(CCC1)SCCC2CC2 62a_100000764125_100000751183 [0,0,0,2,0,0|2,0,0]=4 26166 B13R2.2383 C1=CC(CCC1)NCC2CCC2 2230a_100000738700_100000751183 [0,0,0,2,0,0|2,0,0]=4 26167 B13R2.2383 C1=CC(CCC1)OCC2CCC2 34a_100011215024_100000763275 [0,0,0,2,0,0|2,0,0]=4 26168 B13R2.2383 C1=CC(CCC1)SCC2CCC2 62a_100000751183_100000763275 [0,0,0,2,0,0|2,0,0]=4 26169 B13R2.2383 C1=CC(CCC1)SCC2CCC2 62a_100000763275_100000751183 [0,0,0,2,0,0|2,0,0]=4 26170 B13R2.2388 C=CCCCN1C2CCC1CC2 2230a_100000735658_100011713584 [0,0,0,2,0,0|2,0,0]=4 26171 B13R2.2388 C=CCCCN1C2CCC1CC2 269982a_100000735658_100000757094 [0,0,0,2,0,0|2,0,0]=4 26172 B13R2.2388 C=CCCCN1C2CCC1CC2 34a_100000735658_100000757094 [0,0,0,2,0,0|2,0,0]=4 26173 B13R2.2388 C=CCCOC1C2CCC1CC2 34a_100011205117_100009813300 [0,0,0,2,0,0|2,0,0]=4 26174 B13R2.2388 C=CCCSC1C2CCC1CC2 62a_100000754431_100009813300 [0,0,0,2,0,0|2,0,0]=4 26175 B13R2.2388 C=CCCSC1C2CCC1CC2 62a_100009813300_100000754431 [0,0,0,2,0,0|2,0,0]=4 26176 B13R2.2388 O=CCCCN1C2CCC1CC2 2230a_100000735658_200011292268 [0,0,0,2,0,0|1,0,0]=3 26177 B13R2.2388 O=CCCCN1C2CCC1CC2 269982a_100000735658_200011292268 [0,0,0,2,0,0|1,0,0]=3 26178 B13R2.3194 C=CCCCNC1CCC2C1C2 269862a_100000700776_100000692480 [0,0,0,2,0,0|2,0,0]=4 26179 B13R2.3194 C=CCCCNC1CCC2C1C2 270004a_100000700776_100000692480 [0,0,0,2,0,0|2,0,0]=4 26180 B13R2.3194 C=CCCCOC1CCC2C1C2 34a_200012295571_100000757094 [0,0,0,2,0,0|2,0,0]=4 26181 B13R2.3045 O=C1CCCCCC1SC2CC2 62a_100000243696_100000211595 [0,0,0,2,0,0|1,0,0]=3 26182 B13R2.3045 O=C1NCCCCC1NC2CC2 34a_100000698827_100000211595 [0,0,0,2,0,0|2,0,0]=4 26183 B13R2.3045 O=C1NCCCCC1SC2CC2 62a_100000735217_100000211595 [0,0,0,2,0,0|2,0,0]=4 26184 B13R2.4901 O=C1CCCCCC1N2CCC2 269982a_100000754969_100000243696 [0,0,0,2,0,0|1,0,0]=3 26185 B13R2.4901 O=C1NCCCCC1N2CCC2 269982a_100000754969_100000735217 [0,0,0,2,0,0|2,0,0]=4 26186 B13R2.18 O=C1CCCCC1N2CCCC2 269982a_100000188435_100000204591 [0,0,0,2,0,0|1,0,0]=3 26187 B13R2.18 O=C1CCCCC1N2CCSC2 269982a_100011215254_100000204591 [0,0,0,2,0,0|2,0,0]=4 26188 B13R2.18 O=C1NCCCC1N2CCCC2 2230a_100000188435_100000687798 [0,0,0,2,0,0|2,0,0]=4 26189 B13R2.18 O=C1NCCCC1N2CCCC2 269982a_100000188435_100000687798 [0,0,0,2,0,0|2,0,0]=4 26190 B13R2.29 O=C1CCCC1NC2CCCC2 2230a_100000211070_100000211823 [0,0,0,2,0,0|1,0,0]=3 26191 B13R2.29 O=C1CCCC1NC2CCCC2 34a_100000211070_100000709159 [0,0,0,2,0,0|1,0,0]=3 26192 B13R2.29 O=C1CCCC1N[C@@H]2CCOC2 2230a_200015188469_100000211823 [0,0,0,2,0,0|2,0,0]=4 26193 B13R2.29 O=C1CCCC1N[C@H]2CCOC2 2230a_100015188467_100000211823 [0,0,0,2,0,0|2,0,0]=4 26194 B13R2.29 O=C1CCCC1N[C@H]2CCOC2 34a_100015188467_100000709159 [0,0,0,2,0,0|2,0,0]=4 26195 B13R2.29 O=C1CCCC1OC2CCCC2 34a_100000210269_100000709159 [0,0,0,2,0,0|1,0,0]=3 26196 B13R2.29 O=C1CCCC1OC2CCCC2 34a_200000719330_100000179811 [0,0,0,2,0,0|1,0,0]=3 26197 B13R2.29 O=C1CCCC1OC2CCCC2 7a_100000210269_100000211823 [0,0,0,2,0,0|1,0,0]=3 26198 B13R2.29 O=C1CCCC1OC2CCCO2 34a_100000085407_100000709159 [0,0,0,2,0,0|2,0,0]=4 26199 B13R2.29 O=C1CCCC1OC2CCOC2 34a_200000719330_100000690089 [0,0,0,2,0,0|2,0,0]=4 26200 B13R2.29 O=C1CCCC1OC2CCSC2 7a_100011232664_100000211823 [0,0,0,2,0,0|2,0,0]=4 26201 B13R2.29 O=C1CCCC1O[C@H]2CCOC2 34a_100000717292_100000709159 [0,0,0,2,0,0|2,0,0]=4 26202 B13R2.29 O=C1CCCC1SC2CCCC2 62a_100000211823_100000179811 [0,0,0,2,0,0|1,0,0]=3 26203 B13R2.29 O=C1CCCC1SC2CCCC2 62a_100011217020_100000211823 [0,0,0,2,0,0|1,0,0]=3 26204 B13R2.29 O=C1CCCC1SC2CCOC2 62a_100000211823_100000690089 [0,0,0,2,0,0|2,0,0]=4 26205 B13R2.29 O=C1CCCN1CN2CCCC2 269982a_100000188435_100000026320 [0,0,0,2,0,0|2,0,0]=4 26206 B13R2.29 O=C1NCCC1NC2CCCC2 2230a_100016995588_100000179811 [0,0,0,2,0,0|2,0,0]=4 26207 B13R2.29 O=C1NCCC1NC2CCCC2 270004a_100016995588_100000210133 [0,0,0,2,0,0|2,0,0]=4 26208 B13R2.29 O=C1NCCC1NC2CCCC2 34a_100016995588_100000179811 [0,0,0,2,0,0|2,0,0]=4 26209 B13R2.29 O=C1NCC[C@@H]1OC2CCCC2 34a_100000688343_100000179811 [0,0,0,2,0,0|2,0,0]=4 26210 B13R2.29 O=C1OCCC1NC2CCCC2 2230a_100000211070_100000211211 [0,0,0,2,0,0|2,0,0]=4 26211 B13R2.29 O=C1OCCC1NC2CCCC2 34a_100000211070_100000211211 [0,0,0,2,0,0|2,0,0]=4 26212 B13R2.29 O=C1OCCC1OC2CCCC2 34a_100000210269_100000211211 [0,0,0,2,0,0|2,0,0]=4 26213 B13R2.29 O=C1OCCC1OC2CCCC2 7a_100000210269_100000211211 [0,0,0,2,0,0|2,0,0]=4 26214 B13R2.29 O=C1OCCC1SC2CCCC2 62a_100000211211_100000179811 [0,0,0,2,0,0|2,0,0]=4 26215 B13R2.29 O=C1OCCC1SC2CCCC2 62a_100011217020_100000211211 [0,0,0,2,0,0|2,0,0]=4 26216 B13R2.61 CNC1CCCC1C2CCCC2 269862a_106832991636_100011216175 [0,0,0,2,0,0|2,0,0]=4 26217 B13R2.61 CNC1CCCC1C2CCCC2 270004a_106832991635_100011216175 [0,0,0,2,0,0|2,0,0]=4 26218 B13R2.158 O=C1CCC1CCN2CCCC2 2230a_100000188435_200016118888 [0,0,0,2,0,0|1,0,0]=3 26219 B13R2.158 O=C1CCC1CCN2CCCC2 269982a_100000188435_200016118888 [0,0,0,2,0,0|1,0,0]=3 26220 B13R2.158 O=C1CCC1CCN2CCSC2 2230a_100011215254_200016118888 [0,0,0,2,0,0|2,0,0]=4 26221 B13R2.158 O=C1CCC1CCN2CCSC2 269982a_100011215254_200016118888 [0,0,0,2,0,0|2,0,0]=4 26222 B13R2.158 O=C1CCC1NCC2CCCC2 34a_100000737975_100009892977 [0,0,0,2,0,0|1,0,0]=3 26223 B13R2.158 O=C1CCC1NCC2CCOC2 34a_100000737293_100009892977 [0,0,0,2,0,0|2,0,0]=4 26224 B13R2.158 O=C1CCC1NC[C@@H]2CCCO2 34a_100020590478_100009892977 [0,0,0,2,0,0|2,0,0]=4 26225 B13R2.158 O=C1CCC1OCC2CCCC2 34a_100000742336_100009892977 [0,0,0,2,0,0|1,0,0]=3 26226 B13R2.158 O=C1CCC1OCC2CCCC2 7a_100000742336_100009892977 [0,0,0,2,0,0|1,0,0]=3 26227 B13R2.158 O=C1CCC1OCC2CCCO2 34a_100000210270_100009892977 [0,0,0,2,0,0|2,0,0]=4 26228 B13R2.158 O=C1CCC1OCC2CCCO2 7a_100000210270_100009892977 [0,0,0,2,0,0|2,0,0]=4 26229 B13R2.158 O=C1CCC1OCC2CCNC2 34a_100000748654_100009892977 [0,0,0,2,0,0|2,0,0]=4 26230 B13R2.158 O=C1CCC1OCC2CCOC2 34a_100000740260_100009892977 [0,0,0,2,0,0|2,0,0]=4 26231 B13R2.158 O=C1CCC1OC[C@H]2CCCN2 34a_100000745186_100009892977 [0,0,0,2,0,0|2,0,0]=4 26232 B13R2.158 O=C1CCC1SCC2CCCC2 62a_100000740388_100009892977 [0,0,0,2,0,0|1,0,0]=3 26233 B13R2.158 O=C1CCC1SCC2CCCC2 62a_100009892977_100000740388 [0,0,0,2,0,0|1,0,0]=3 26234 B13R2.158 O=C1CCC1SCC2CCCO2 62a_100000203698_100009892977 [0,0,0,2,0,0|2,0,0]=4 26235 B13R2.158 O=C1CCC1SCC2CCCO2 62a_100009892977_100000203698 [0,0,0,2,0,0|2,0,0]=4 26236 B13R2.158 O=C1CCC1SCC2CCOC2 62a_100000702531_100009892977 [0,0,0,2,0,0|2,0,0]=4 26237 B13R2.158 O=C1CCC1SCC2CCOC2 62a_100009892977_100000702531 [0,0,0,2,0,0|2,0,0]=4 26238 B13R2.2520 C=CCCCN1CC2CCC1C2 2230a_100000743476_100011713584 [0,0,0,2,0,0|2,0,0]=4 26239 B13R2.2520 C=CCCCN1CC2CCC1C2 269982a_100000743476_100000757094 [0,0,0,2,0,0|2,0,0]=4 26240 B13R2.2520 C=CCCCN1CC2CCC1C2 34a_100000743476_100000757094 [0,0,0,2,0,0|2,0,0]=4 26241 B13R2.2520 C=CCCNC1CC2CCC1C2 2230a_100000758229_100000754431 [0,0,0,2,0,0|2,0,0]=4 26242 B13R2.2520 C=CCCNC1CC2CCC1C2 269862a_100015191253_100000223372 [0,0,0,2,0,0|2,0,0]=4 26243 B13R2.2520 C=CCCNC1CC2CCC1C2 270004a_100015191253_100000223372 [0,0,0,2,0,0|2,0,0]=4 26244 B13R2.2520 C=CCCNC1CC2CCC1C2 34a_100000758229_100000754431 [0,0,0,2,0,0|2,0,0]=4 26245 B13R2.2520 C=CCCOC1CC2CCC1C2 34a_100000211339_100000754431 [0,0,0,2,0,0|2,0,0]=4 26246 B13R2.2520 C=CCCOC1CC2CCC1C2 34a_100011205117_100000727232 [0,0,0,2,0,0|2,0,0]=4 26247 B13R2.2520 C=CCCSC1CC2CCC1C2 62a_100000727232_100000754431 [0,0,0,2,0,0|2,0,0]=4 26248 B13R2.2520 C=CCCSC1CC2CCC1C2 62a_100000754431_100000727232 [0,0,0,2,0,0|2,0,0]=4 26249 B13R2.2520 C=CCNCC1CC2CCC1C2 270004a_100020586998_100000697602 [0,0,0,2,0,0|2,0,0]=4 26250 B13R2.2520 C=CCOCC1CC2CCC1C2 34a_100000229996_100015514636 [0,0,0,2,0,0|2,0,0]=4 26251 B13R2.2520 CCCCCN1CC2C=CC1C2 2230a_100000732668_100000210326 [0,0,0,2,0,0|2,0,0]=4 26252 B13R2.2520 CCCCCN1CC2C=CC1C2 269982a_100000732668_100000210215 [0,0,0,2,0,0|2,0,0]=4 26253 B13R2.2520 CCCCCN1CC2C=CC1C2 34a_100000732668_100000718602 [0,0,0,2,0,0|2,0,0]=4 26254 B13R2.2520 CCCCOC1CC2C=CC1C2 34a_100000043678_100000210210 [0,0,0,2,0,0|2,0,0]=4 26255 B13R2.2520 CCCNCC1CC2C=CC1C2 2230a_100000189500_100000210303 [0,0,0,2,0,0|2,0,0]=4 26256 B13R2.2520 CCCNCC1CC2C=CC1C2 34a_100000189500_100000210303 [0,0,0,2,0,0|2,0,0]=4 26257 B13R2.2520 CCCOCC1CC2C=CC1C2 34a_100000210258_200009814271 [0,0,0,2,0,0|2,0,0]=4 26258 B13R2.2520 CCCOCC1CC2C=CC1C2 34a_100011215361_100000210303 [0,0,0,2,0,0|2,0,0]=4 26259 B13R2.2520 CCCSCC1CC2C=CC1C2 62a_100000139495_100000210303 [0,0,0,2,0,0|2,0,0]=4 26260 B13R2.2520 CCCSCC1CC2C=CC1C2 62a_100000210303_100000139495 [0,0,0,2,0,0|2,0,0]=4 26261 B13R2.2520 O=CCCCN1CC2CCC1C2 2230a_100000743476_200011292268 [0,0,0,2,0,0|1,0,0]=3 26262 B13R2.2520 O=CCCCN1CC2CCC1C2 269982a_100000743476_200011292268 [0,0,0,2,0,0|1,0,0]=3 26263 B13R2.2520 O=CCCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_200011292268 [0,0,0,2,0,0|2,0,0]=4 26264 B13R2.2520 O=CCCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_200011292268 [0,0,0,2,0,0|2,0,0]=4 26265 B13R2.2520 O=CCOCC1CC2CCC1C2 34a_100000229996_200009817547 [0,0,0,2,0,0|1,0,0]=3 26266 B13R2.105 CCC1CCCN1C2CCC2=O 269982a_100000754278_100009892977 [0,0,0,2,0,0|1,0,0]=3 26267 B13R2.105 CCC1CCCN1C2CCC2=O 34a_100000754278_100009892977 [0,0,0,2,0,0|1,0,0]=3 26268 B13R2.105 O=C1CCC1N2CCC[C@@H]2CO 269982a_100000745186_100009892977 [0,0,0,2,0,0|2,0,0]=4 26269 B13R2.105 O=C1CCC1N2CCC[C@@H]2CO 34a_100000745186_100009892977 [0,0,0,2,0,0|2,0,0]=4 26270 B13R2.449 O=CCN1CCN2CCC[C@@H]2C1 2230a_100000008389_200015260668 [0,0,0,2,0,0|2,0,0]=4 26271 B13R2.449 O=CCN1CCN2CCC[C@@H]2C1 269982a_100000008389_200015260668 [0,0,0,2,0,0|2,0,0]=4 26272 B13R2.449 O=CCN1CCN2CCC[C@@H]2C1 34a_100000008389_200009817547 [0,0,0,2,0,0|2,0,0]=4 26273 B13R2.673 C=CCCCN1CCCC12CC2 2230a_100020620911_100011713584 [0,0,0,2,0,0|2,0,0]=4 26274 B13R2.673 C=CCCCN1CCCC12CC2 269982a_100020620911_100000757094 [0,0,0,2,0,0|2,0,0]=4 26275 B13R2.673 C=CCCCN1CCCC12CC2 34a_100020620911_100000757094 [0,0,0,2,0,0|2,0,0]=4 26276 B13R2.673 C=CCCNC1CCCC12CC2 269862a_100015191253_100009881796 [0,0,0,2,0,0|2,0,0]=4 26277 B13R2.673 O=CCCCN1CCCC12CC2 2230a_100020620911_200011292268 [0,0,0,2,0,0|1,0,0]=3 26278 B13R2.673 O=CCCCN1CCCC12CC2 269982a_100020620911_200011292268 [0,0,0,2,0,0|1,0,0]=3 26279 B13R2.2401 CCN1C[C@H]2C[C@@H]1CN2CC=O 2230a_200016994038_200015260668 [0,0,0,2,0,0|2,0,0]=4 26280 B13R2.2401 CCN1C[C@H]2C[C@@H]1CN2CC=O 269982a_200016994038_200015260668 [0,0,0,2,0,0|2,0,0]=4 26281 B13R2.32 CC1CCC2CCCCC2N1C 2230a_100132302184_200000210301 [0,0,0,2,0,0|2,0,0]=4 26282 B13R2.32 CC1CCC2CCCCC2N1C 269982a_100132302184_200000210301 [0,0,0,2,0,0|2,0,0]=4 26283 B13R2.32 CC1CCC2CCCCC2N1C 34a_100132302184_200000210301 [0,0,0,2,0,0|2,0,0]=4 26284 B13R2.32 CC1CCC2CCCCC2N1[13CH3] 2230a_100132302184_200025704644 [0,0,0,2,0,0|2,0,0]=4 26285 B13R2.32 CC1CCC2CCCCC2N1[13CH3] 269982a_100132302184_200025704644 [0,0,0,2,0,0|2,0,0]=4 26286 B13R2.32 CC1CCC2CCCCC2N1[13CH3] 34a_100132302184_200025704644 [0,0,0,2,0,0|2,0,0]=4 26287 B13R2.57 CNC1CCC2CCCCC2C1 270004a_106832991635_100000211418 [0,0,0,2,0,0|2,0,0]=4 26288 B13R2.57 COC1CCC2CCCCC2C1 34a_100000211317_200000210301 [0,0,0,2,0,0|2,0,0]=4 26289 B13R2.57 COC1CCC2CCCCC2C1 7a_100000211317_200000210301 [0,0,0,2,0,0|2,0,0]=4 26290 B13R2.57 [13CH3]OC1CCC2CCCCC2C1 34a_100000211317_200025704644 [0,0,0,2,0,0|2,0,0]=4 26291 B13R2.57 [13CH3]OC1CCC2CCCCC2C1 7a_100000211317_200025704644 [0,0,0,2,0,0|2,0,0]=4 26292 B13R2.26 C=CCN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100000210623 [0,0,0,2,0,0|2,0,0]=4 26293 B13R2.26 C=CCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000210623 [0,0,0,2,0,0|2,0,0]=4 26294 B13R2.26 C=CCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100015514636 [0,0,0,2,0,0|2,0,0]=4 26295 B13R2.26 O=CCN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_200015260668 [0,0,0,2,0,0|1,0,0]=3 26296 B13R2.26 O=CCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_200015260668 [0,0,0,2,0,0|1,0,0]=3 26297 B13R2.26 O=CCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_200009817547 [0,0,0,2,0,0|1,0,0]=3 26298 B13R2.215 CC1CCCCN1C2CCC2=O 269982a_100000211376_100009892977 [0,0,0,2,0,0|1,0,0]=3 26299 B13R2.215 CC1CCCCN1C2CCC2=O 34a_100000211376_100009892977 [0,0,0,2,0,0|1,0,0]=3 26300 B13R2.215 CC1CCN1C2CCCCC2=O 269982a_100000755817_100000204591 [0,0,0,2,0,0|1,0,0]=3 26301 B13R2.215 CC1CCN1C2CCCCC2=O 34a_100000755817_100000754470 [0,0,0,2,0,0|1,0,0]=3 26302 B13R2.215 CC1CCN1C2CCCNC2=O 269982a_100000755817_100000687798 [0,0,0,2,0,0|2,0,0]=4 26303 B13R2.215 CC1CCN1C2CCCNC2=O 34a_100000755817_100000687798 [0,0,0,2,0,0|2,0,0]=4 26304 B13R2.215 CC1CCN1C2COCCC2=O 34a_100000755817_100012180262 [0,0,0,2,0,0|2,0,0]=4 26305 B13R2.215 C[C@H]1COCCN1C2CCC2=O 269982a_100009815349_100009892977 [0,0,0,2,0,0|2,0,0]=4 26306 B13R2.215 C[C@H]1COCCN1C2CCC2=O 34a_100009815349_100009892977 [0,0,0,2,0,0|2,0,0]=4 26307 B13R2.377 O=C1CCCCC1N[C@@H]2C[C@H]2F 34a_100025746932_100000754470 [0,0,0,2,0,0|2,0,0]=4 26308 B13R2.3587 O=C1CCCCC1COC2CC2 34a_100009861125_100000211595 [0,0,0,2,0,0|1,0,0]=3 26309 B13R2.3587 O=C1CCCCC1NCC2CC2 34a_100000735609_100000754470 [0,0,0,2,0,0|1,0,0]=3 26310 B13R2.3587 O=C1CCCCC1OCC2CC2 34a_100000211283_100000754470 [0,0,0,2,0,0|1,0,0]=3 26311 B13R2.3587 O=C1CCCCC1OCC2CC2 34a_100011214950_100000742324 [0,0,0,2,0,0|1,0,0]=3 26312 B13R2.3587 O=C1CCCCC1OCC2CO2 34a_100011214950_102125554688 [0,0,0,2,0,0|2,0,0]=4 26313 B13R2.3587 O=C1CCCCC1OC[C@@H]2CO2 34a_100000757423_100000754470 [0,0,0,2,0,0|2,0,0]=4 26314 B13R2.3587 O=C1CCCCC1SCC2CC2 62a_100000204591_100000742324 [0,0,0,2,0,0|1,0,0]=3 26315 B13R2.3587 O=C1CCCCC1SCC2CC2 62a_100000756562_100000204591 [0,0,0,2,0,0|1,0,0]=3 26316 B13R2.3587 O=C1CCCCC1SCC2CO2 62a_100000204591_102125554688 [0,0,0,2,0,0|2,0,0]=4 26317 B13R2.3587 O=C1CCCCC1SCC2CO2 62a_102125554688_100000204591 [0,0,0,2,0,0|2,0,0]=4 26318 B13R2.3587 O=C1CCCCC1SCC2CS2 62a_100000031435_100000204591 [0,0,0,2,0,0|2,0,0]=4 26319 B13R2.3587 O=C1CCCCC1SCC2CS2 62a_100000204591_100000031435 [0,0,0,2,0,0|2,0,0]=4 26320 B13R2.3587 O=C1CCCCC1SC[C@@H]2CO2 62a_100000204591_100000745022 [0,0,0,2,0,0|2,0,0]=4 26321 B13R2.3587 O=C1CCCCC1SC[C@@H]2CO2 62a_100000745022_100000204591 [0,0,0,2,0,0|2,0,0]=4 26322 B13R2.3587 O=C1CCOCC1NCC2CC2 34a_100000735609_100012180262 [0,0,0,2,0,0|2,0,0]=4 26323 B13R2.3587 O=C1CCOCC1OCC2CC2 34a_100000211283_100012180262 [0,0,0,2,0,0|2,0,0]=4 26324 B13R2.3587 O=C1CCOCC1SCC2CC2 62a_100000756562_100012180262 [0,0,0,2,0,0|2,0,0]=4 26325 B13R2.3587 O=C1CCOCC1SCC2CC2 62a_100012180262_100000742324 [0,0,0,2,0,0|2,0,0]=4 26326 B13R2.3587 O=C1NCCCC1NCC2CC2 2230a_100000735609_100000687798 [0,0,0,2,0,0|2,0,0]=4 26327 B13R2.3587 O=C1NCCCC1NCC2CC2 2230a_100000747585_100000742324 [0,0,0,2,0,0|2,0,0]=4 26328 B13R2.3587 O=C1NCCCC1NCC2CC2 34a_100000735609_100000687798 [0,0,0,2,0,0|2,0,0]=4 26329 B13R2.3587 O=C1NCCCC1NCC2CC2 34a_100000747585_100000742324 [0,0,0,2,0,0|2,0,0]=4 26330 B13R2.3587 O=C1NCCCC1OCC2CC2 34a_100000073722_100000742324 [0,0,0,2,0,0|2,0,0]=4 26331 B13R2.3587 O=C1NCCCC1OCC2CC2 34a_100000211283_100000687798 [0,0,0,2,0,0|2,0,0]=4 26332 B13R2.3587 O=C1NCCCC1SCC2CC2 62a_100000687798_100000742324 [0,0,0,2,0,0|2,0,0]=4 26333 B13R2.3587 O=C1NCCCC1SCC2CC2 62a_100000756562_100000687798 [0,0,0,2,0,0|2,0,0]=4 26334 B13R2.5225 O=C1CCCCC1NC2CCC2 34a_100000749019_100000754470 [0,0,0,2,0,0|1,0,0]=3 26335 B13R2.5225 O=C1CCCCC1OC2CCC2 34a_100000748187_100000754470 [0,0,0,2,0,0|1,0,0]=3 26336 B13R2.5225 O=C1CCCCC1OC2CCC2 34a_100011214950_100000749161 [0,0,0,2,0,0|1,0,0]=3 26337 B13R2.5225 O=C1CCCCC1OC2COC2 34a_100011214950_100009818527 [0,0,0,2,0,0|2,0,0]=4 26338 B13R2.5225 O=C1CCCCC1OC2CSC2 7a_100000072292_100000204591 [0,0,0,2,0,0|2,0,0]=4 26339 B13R2.5225 O=C1CCCCC1SC2CCC2 62a_100000204591_100000749161 [0,0,0,2,0,0|1,0,0]=3 26340 B13R2.5225 O=C1CCCCC1SC2COC2 62a_100000204591_100009818527 [0,0,0,2,0,0|2,0,0]=4 26341 B13R2.5225 O=C1CCOCC1NC2CCC2 34a_100000749019_100012180262 [0,0,0,2,0,0|2,0,0]=4 26342 B13R2.5225 O=C1CCOCC1OC2CCC2 34a_100000748187_100012180262 [0,0,0,2,0,0|2,0,0]=4 26343 B13R2.5225 O=C1CCOCC1SC2CCC2 62a_100012180262_100000749161 [0,0,0,2,0,0|2,0,0]=4 26344 B13R2.5225 O=C1NCCCC1NC2CCC2 2230a_100000749019_100000687798 [0,0,0,2,0,0|2,0,0]=4 26345 B13R2.5225 O=C1NCCCC1NC2CCC2 270004a_100000747585_100000241760 [0,0,0,2,0,0|2,0,0]=4 26346 B13R2.5225 O=C1NCCCC1NC2CCC2 34a_100000747585_100000749161 [0,0,0,2,0,0|2,0,0]=4 26347 B13R2.5225 O=C1NCCCC1NC2CCC2 34a_100000749019_100000687798 [0,0,0,2,0,0|2,0,0]=4 26348 B13R2.5225 O=C1NCCCC1OC2CCC2 34a_100000073722_100000749161 [0,0,0,2,0,0|2,0,0]=4 26349 B13R2.5225 O=C1NCCCC1OC2CCC2 34a_100000748187_100000687798 [0,0,0,2,0,0|2,0,0]=4 26350 B13R2.5225 O=C1NCCCC1SC2CCC2 62a_100000687798_100000749161 [0,0,0,2,0,0|2,0,0]=4 26351 B13R2.14282 C=CCCNC1CCCC2C1C2 269862a_100015191253_100000697651 [0,0,0,2,0,0|2,0,0]=4 26352 B13R2.179 CC1CC1COC2CCCC2=O 34a_100000744939_100000709159 [0,0,0,2,0,0|1,0,0]=3 26353 B13R2.179 CC1CC1COC2CCCC2=O 7a_100000744939_100000211823 [0,0,0,2,0,0|1,0,0]=3 26354 B13R2.179 CC1CC1COC2CCOC2=O 34a_100000744939_100000211211 [0,0,0,2,0,0|2,0,0]=4 26355 B13R2.179 CC1CC1COC2CCOC2=O 7a_100000744939_100000211211 [0,0,0,2,0,0|2,0,0]=4 26356 B13R2.349 O=C1CCC1CCN[C@@H]2C[C@@H]2F 2230a_100015190264_200016118888 [0,0,0,2,0,0|2,0,0]=4 26357 B13R2.349 O=C1CCC1CCN[C@@H]2C[C@H]2F 2230a_100025746932_200016118888 [0,0,0,2,0,0|2,0,0]=4 26358 B13R2.3152 O=C1CCCC1NCC2CCC2 2230a_100000738700_100000211823 [0,0,0,2,0,0|1,0,0]=3 26359 B13R2.3152 O=C1CCCC1NCC2CCC2 34a_100000738700_100000709159 [0,0,0,2,0,0|1,0,0]=3 26360 B13R2.3152 O=C1CCCC1NCC2COC2 2230a_100015281925_100000211823 [0,0,0,2,0,0|2,0,0]=4 26361 B13R2.3152 O=C1CCCC1NCC2COC2 34a_100015281925_100000709159 [0,0,0,2,0,0|2,0,0]=4 26362 B13R2.3152 O=C1CCCC1NC[C@@H]2CCO2 2230a_100020831831_100000211823 [0,0,0,2,0,0|2,0,0]=4 26363 B13R2.3152 O=C1CCCC1NC[C@@H]2CCO2 34a_100020831831_100000709159 [0,0,0,2,0,0|2,0,0]=4 26364 B13R2.3152 O=C1CCCC1OCC2CCC2 34a_100000760304_100000709159 [0,0,0,2,0,0|1,0,0]=3 26365 B13R2.3152 O=C1CCCC1OCC2CCC2 34a_200000719330_100000763275 [0,0,0,2,0,0|1,0,0]=3 26366 B13R2.3152 O=C1CCCC1OCC2CCO2 34a_100000039022_100000709159 [0,0,0,2,0,0|2,0,0]=4 26367 B13R2.3152 O=C1CCCC1OCC2CCO2 34a_200000719330_100000103362 [0,0,0,2,0,0|2,0,0]=4 26368 B13R2.3152 O=C1CCCC1OCC2CNC2 34a_100016987283_100000709159 [0,0,0,2,0,0|2,0,0]=4 26369 B13R2.3152 O=C1CCCC1OCC2COC2 34a_100000060846_100000709159 [0,0,0,2,0,0|2,0,0]=4 26370 B13R2.3152 O=C1CCCC1OCC2COC2 34a_200000719330_100010264016 [0,0,0,2,0,0|2,0,0]=4 26371 B13R2.3152 O=C1CCCC1SCC2CCC2 62a_100000211823_100000763275 [0,0,0,2,0,0|1,0,0]=3 26372 B13R2.3152 O=C1CCCC1SCC2CCC2 62a_100000763275_100000211823 [0,0,0,2,0,0|1,0,0]=3 26373 B13R2.3152 O=C1CCCC1SCC2CCO2 62a_100000103362_100000211823 [0,0,0,2,0,0|2,0,0]=4 26374 B13R2.3152 O=C1CCCC1SCC2CCO2 62a_100000211823_100000103362 [0,0,0,2,0,0|2,0,0]=4 26375 B13R2.3152 O=C1CCCC1SCC2COC2 62a_100000211823_100010264016 [0,0,0,2,0,0|2,0,0]=4 26376 B13R2.3152 O=C1CCCC1SCC2COC2 62a_100010264016_100000211823 [0,0,0,2,0,0|2,0,0]=4 26377 B13R2.3152 O=C1CCCN1CCN2CCC2 269982a_100000754969_100000739059 [0,0,0,2,0,0|2,0,0]=4 26378 B13R2.3152 O=C1CCCN1CSC2CCC2 62a_100000026320_100000749161 [0,0,0,2,0,0|2,0,0]=4 26379 B13R2.3152 O=C1NCCC1COC2CCC2 34a_100000133458_100000749161 [0,0,0,2,0,0|2,0,0]=4 26380 B13R2.3152 O=C1NCCC1NCC2CCC2 2230a_100016995588_100000763275 [0,0,0,2,0,0|2,0,0]=4 26381 B13R2.3152 O=C1NCCC1NCC2CCC2 34a_100016995588_100000763275 [0,0,0,2,0,0|2,0,0]=4 26382 B13R2.3152 O=C1NCC[C@@H]1OCC2CCC2 34a_100000688343_100000763275 [0,0,0,2,0,0|2,0,0]=4 26383 B13R2.3152 O=C1OCCC1NCC2CCC2 2230a_100000738700_100000211211 [0,0,0,2,0,0|2,0,0]=4 26384 B13R2.3152 O=C1OCCC1NCC2CCC2 34a_100000738700_100000211211 [0,0,0,2,0,0|2,0,0]=4 26385 B13R2.3152 O=C1OCCC1OCC2CCC2 34a_100000760304_100000211211 [0,0,0,2,0,0|2,0,0]=4 26386 B13R2.3152 O=C1OCCC1SCC2CCC2 62a_100000211211_100000763275 [0,0,0,2,0,0|2,0,0]=4 26387 B13R2.3152 O=C1OCCC1SCC2CCC2 62a_100000763275_100000211211 [0,0,0,2,0,0|2,0,0]=4 26388 B13R2.4894 O=C1CCC1CCNC2CCC2 2230a_100000749019_200016118888 [0,0,0,2,0,0|1,0,0]=3 26389 B13R2.4894 O=C1CCC1CCNC2COC2 2230a_100016991112_200016118888 [0,0,0,2,0,0|2,0,0]=4 26390 B13R2.4894 O=C1CCC1CCOC2CSC2 7a_100000072292_200016118888 [0,0,0,2,0,0|2,0,0]=4 26391 B13R2.4894 O=C1CCC1CCSC2CCC2 62a_200016118888_100000749161 [0,0,0,2,0,0|1,0,0]=3 26392 B13R2.4894 O=C1CCC1CCSC2COC2 62a_200016118888_100009818527 [0,0,0,2,0,0|2,0,0]=4 26393 B13R2.4894 O=C1CCC1OCCC2COC2 34a_100009855314_100009892977 [0,0,0,2,0,0|2,0,0]=4 26394 B13R2.7982 O=CCCCN1CCC12COC2 2230a_100015204706_200011292268 [0,0,0,2,0,0|2,0,0]=4 26395 B13R2.7982 O=CCCCN1CCC12COC2 269982a_100015204706_200011292268 [0,0,0,2,0,0|2,0,0]=4 26396 B13R2.2441 C=CCCN1CCCC1C2CC2 2230a_200000757794_100000754431 [0,0,0,2,0,0|2,0,0]=4 26397 B13R2.2441 C=CCCN1CCCC1C2CC2 269982a_200000757794_100000754431 [0,0,0,2,0,0|2,0,0]=4 26398 B13R2.2441 C=CCCN1CCCC1C2CC2 34a_200000757794_100000754431 [0,0,0,2,0,0|2,0,0]=4 26399 B13R2.164 C=CCCN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000754431 [0,0,0,2,0,0|2,0,0]=4 26400 B13R2.164 C=CCCN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000754431 [0,0,0,2,0,0|2,0,0]=4 26401 B13R2.164 C=CCCN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000754431 [0,0,0,2,0,0|2,0,0]=4 26402 B13R2.6839 C1=CC(CCCCC1)OC2CC2 34a_100000688657_100000211595 [0,0,0,2,0,0|2,0,0]=4 26403 B13R2.181 CC1SCCN1C2CCCC2=O 2230a_200011216479_100000211823 [0,0,0,2,0,0|2,0,0]=4 26404 B13R2.181 CC1SCCN1C2CCCC2=O 269982a_200011216479_100000211823 [0,0,0,2,0,0|2,0,0]=4 26405 B13R2.181 CC1SCCN1C2CCCC2=O 34a_200011216479_100000709159 [0,0,0,2,0,0|2,0,0]=4 26406 B13R2.181 C[C@@H]1CCCN1C2CCCC2=O 2230a_100015189458_100000211823 [0,0,0,2,0,0|1,0,0]=3 26407 B13R2.181 C[C@@H]1CCCN1C2CCCC2=O 269982a_100015189458_100000211823 [0,0,0,2,0,0|1,0,0]=3 26408 B13R2.181 C[C@@H]1CCCN1C2CCCC2=O 34a_100015189458_100000709159 [0,0,0,2,0,0|1,0,0]=3 26409 B13R2.181 C[C@@H]1CCCN1C2CCOC2=O 2230a_100015189458_100000211211 [0,0,0,2,0,0|2,0,0]=4 26410 B13R2.181 C[C@@H]1CCCN1C2CCOC2=O 269982a_100015189458_100000211211 [0,0,0,2,0,0|2,0,0]=4 26411 B13R2.181 C[C@@H]1CCCN1C2CCOC2=O 34a_100015189458_100000211211 [0,0,0,2,0,0|2,0,0]=4 26412 B13R2.181 C[C@H]1CCCN1C2CCCC2=O 2230a_100020605311_100000211823 [0,0,0,2,0,0|1,0,0]=3 26413 B13R2.181 C[C@H]1CCCN1C2CCCC2=O 269982a_100020605311_100000211823 [0,0,0,2,0,0|1,0,0]=3 26414 B13R2.181 C[C@H]1CCCN1C2CCOC2=O 2230a_100020605311_100000211211 [0,0,0,2,0,0|2,0,0]=4 26415 B13R2.181 C[C@H]1CCCN1C2CCOC2=O 269982a_100020605311_100000211211 [0,0,0,2,0,0|2,0,0]=4 26416 B13R2.360 CC1CCCC1OC2CCC2=O 34a_100011216460_100009892977 [0,0,0,2,0,0|1,0,0]=3 26417 B13R2.360 CC1CCCC1OC2CCC2=O 7a_100011216460_100009892977 [0,0,0,2,0,0|1,0,0]=3 26418 B13R2.360 CC1CCN1CN2CCCC2=O 269982a_100000755817_100000026320 [0,0,0,2,0,0|2,0,0]=4 26419 B13R2.360 C[C@@H]1CNC[C@@H]1OC2CCC2=O 34a_200015306588_100009892977 [0,0,0,2,0,0|2,0,0]=4 26420 B13R2.360 N[C@H]1CCC[C@@H]1OC2CCC2=O 34a_100000748460_100009892977 [0,0,0,2,0,0|2,0,0]=4 26421 B13R2.360 O=C1CCC1O[C@@H]2CCC[C@H]2Cl 34a_200016002552_100009892977 [0,0,0,2,0,0|2,0,0]=4 26422 B13R2.360 O=C1CCC1S[C@@H]2CCC[C@H]2O 62a_100009892977_200016002552 [0,0,0,2,0,0|2,0,0]=4 26423 B13R2.360 O=C1CCC1S[C@@H]2CCC[C@H]2O 62a_200016002552_100009892977 [0,0,0,2,0,0|2,0,0]=4 26424 B13R2.3140 O=C1CCCC1NCCC2CC2 34a_100000764129_100000709159 [0,0,0,2,0,0|1,0,0]=3 26425 B13R2.3140 O=C1CCCC1OCCC2CC2 34a_100000754188_100000709159 [0,0,0,2,0,0|1,0,0]=3 26426 B13R2.3140 O=C1CCCC1OCCC2CC2 34a_200000719330_100000694398 [0,0,0,2,0,0|1,0,0]=3 26427 B13R2.3140 O=C1CCCC1OCCC2CC2 7a_100000754188_100000211823 [0,0,0,2,0,0|1,0,0]=3 26428 B13R2.3140 O=C1CCCC1OCCC2CO2 34a_200000719330_100000732470 [0,0,0,2,0,0|2,0,0]=4 26429 B13R2.3140 O=C1CCCC1OCC[C@@H]2CO2 34a_100009820653_100000709159 [0,0,0,2,0,0|2,0,0]=4 26430 B13R2.3140 O=C1CCCC1SCCC2CC2 62a_100000211823_100000764125 [0,0,0,2,0,0|1,0,0]=3 26431 B13R2.3140 O=C1CCCC1SCCC2CC2 62a_100000764125_100000211823 [0,0,0,2,0,0|1,0,0]=3 26432 B13R2.3140 O=C1CCCC1SCCC2CO2 62a_100000211823_100000732470 [0,0,0,2,0,0|2,0,0]=4 26433 B13R2.3140 O=C1CCCC1SCCC2CO2 62a_100000732470_100000211823 [0,0,0,2,0,0|2,0,0]=4 26434 B13R2.3140 O=C1CCCN1CCNC2CC2 34a_100000212008_100000739059 [0,0,0,2,0,0|2,0,0]=4 26435 B13R2.3140 O=C1CCCN1CCOC2CC2 34a_100000211209_100000211595 [0,0,0,2,0,0|2,0,0]=4 26436 B13R2.3140 O=C1CCCN1CCSC2CC2 62a_100000739059_100000211595 [0,0,0,2,0,0|2,0,0]=4 26437 B13R2.3140 O=C1CCCN1CSCC2CC2 62a_100000026320_100000742324 [0,0,0,2,0,0|2,0,0]=4 26438 B13R2.3140 O=C1CCCN1CSCC2CC2 62a_100000756562_100000026320 [0,0,0,2,0,0|2,0,0]=4 26439 B13R2.3140 O=C1NCCC1COCC2CC2 34a_100000133458_100000742324 [0,0,0,2,0,0|2,0,0]=4 26440 B13R2.3140 O=C1NCCC1NCCC2CC2 2230a_100016995588_100000694398 [0,0,0,2,0,0|2,0,0]=4 26441 B13R2.3140 O=C1NCCC1NCCC2CC2 34a_100016995588_100000694398 [0,0,0,2,0,0|2,0,0]=4 26442 B13R2.3140 O=C1NCC[C@@H]1OCCC2CC2 34a_100000688343_100000694398 [0,0,0,2,0,0|2,0,0]=4 26443 B13R2.3140 O=C1OCCC1NCCC2CC2 34a_100000764129_100000211211 [0,0,0,2,0,0|2,0,0]=4 26444 B13R2.3140 O=C1OCCC1OCCC2CC2 34a_100000754188_100000211211 [0,0,0,2,0,0|2,0,0]=4 26445 B13R2.3140 O=C1OCCC1OCCC2CC2 7a_100000754188_100000211211 [0,0,0,2,0,0|2,0,0]=4 26446 B13R2.3140 O=C1OCCC1SCCC2CC2 62a_100000211211_100000764125 [0,0,0,2,0,0|2,0,0]=4 26447 B13R2.3140 O=C1OCCC1SCCC2CC2 62a_100000764125_100000211211 [0,0,0,2,0,0|2,0,0]=4 26448 B13R2.5377 O=C1CCC1CCNCC2CC2 2230a_100000735609_200016118888 [0,0,0,2,0,0|1,0,0]=3 26449 B13R2.5377 O=C1CCC1CCSCC2CC2 62a_100000756562_200016118888 [0,0,0,2,0,0|1,0,0]=3 26450 B13R2.5377 O=C1CCC1CCSCC2CC2 62a_200016118888_100000742324 [0,0,0,2,0,0|1,0,0]=3 26451 B13R2.5377 O=C1CCC1CCSCC2CO2 62a_102125554688_200016118888 [0,0,0,2,0,0|2,0,0]=4 26452 B13R2.5377 O=C1CCC1CCSCC2CO2 62a_200016118888_102125554688 [0,0,0,2,0,0|2,0,0]=4 26453 B13R2.5377 O=C1CCC1CCSCC2CS2 62a_100000031435_200016118888 [0,0,0,2,0,0|2,0,0]=4 26454 B13R2.5377 O=C1CCC1CCSCC2CS2 62a_200016118888_100000031435 [0,0,0,2,0,0|2,0,0]=4 26455 B13R2.5377 O=C1CCC1CCSC[C@@H]2CO2 62a_100000745022_200016118888 [0,0,0,2,0,0|2,0,0]=4 26456 B13R2.5377 O=C1CCC1CCSC[C@@H]2CO2 62a_200016118888_100000745022 [0,0,0,2,0,0|2,0,0]=4 26457 B13R2.5377 O=C1CCC1OCCNC2CC2 34a_100000738766_100009892977 [0,0,0,2,0,0|2,0,0]=4 26458 B13R2.5377 O=C1CCC1SCCCC2CO2 62a_100000733510_100009892977 [0,0,0,2,0,0|2,0,0]=4 26459 B13R2.5377 O=C1CCC1SCCCC2CO2 62a_100009892977_100000733510 [0,0,0,2,0,0|2,0,0]=4 26460 B13R2.266 COCC1CCN1C2CCC2=O 269982a_100015195929_100009892977 [0,0,0,2,0,0|2,0,0]=4 26461 B13R2.266 COCC1CCN1C2CCC2=O 34a_100015195929_100009892977 [0,0,0,2,0,0|2,0,0]=4 26462 B13R2.415 CC1CCN1CCC2CCC2=O 269982a_100000755817_200016118888 [0,0,0,2,0,0|1,0,0]=3 26463 B13R2.4880 O=C1CCC1N2CCCCCC2 269982a_100000185865_100009892977 [0,0,0,2,0,0|1,0,0]=3 26464 B13R2.4880 O=C1CCC1N2CCCCCC2 34a_100000185865_100009892977 [0,0,0,2,0,0|1,0,0]=3 26465 B13R2.4880 O=C1CCC1N2CCCOCC2 269982a_100000685342_100009892977 [0,0,0,2,0,0|2,0,0]=4 26466 B13R2.4880 O=C1CCC1N2CCCOCC2 34a_100000685342_100009892977 [0,0,0,2,0,0|2,0,0]=4