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[0,0,0,0,0,0|2,0,2]=4 13 B11R0.3 C#CCCCNCC/C=C\CC 34a_100000718082_100015370543 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.3 C#CCCCOCC/C=C\CC 34a_100000215630_100015370543 [0,0,0,0,0,0|2,0,2]=4 15 B11R0.3 C#CCCCOCC/C=C\CC 34a_100016288707_100000695029 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.3 C#CCCCOCC/C=C\CC 7a_100000215630_100015370543 [0,0,0,0,0,0|2,0,2]=4 17 B11R0.3 C#CCCCOCC/C=C\CC 7a_100016288707_100011215417 [0,0,0,0,0,0|2,0,2]=4 18 B11R0.3 C#CCCCSCC/C=C\CC 62a_100011215417_100015370543 [0,0,0,0,0,0|2,0,2]=4 19 B11R0.3 C#CCCCSCC/C=C\CC 62a_100015370543_100011215417 [0,0,0,0,0,0|2,0,2]=4 20 B11R0.3 C#CCCOCCC/C=C/CC 34a_100016287902_100000688953 [0,0,0,0,0,0|2,0,2]=4 21 B11R0.3 C#CCCOCCC/C=C/CC 7a_100016287902_100000688953 [0,0,0,0,0,0|2,0,2]=4 22 B11R0.3 C#CCNCCCCCCCC 2230a_100000229939_100000038162 [0,0,0,0,0,0|2,0,2]=4 23 B11R0.3 C#CCNCCCCCCCC 34a_100000212058_100000210759 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.3 C#CCNCCCCCCCC 34a_100000229939_100000184674 [0,0,0,0,0,0|2,0,2]=4 25 B11R0.3 C#CCOCCCC/C=C\CC 34a_100016287862_100000184674 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.3 C#CCOCCCC/C=C\CC 7a_100016287862_100000038162 [0,0,0,0,0,0|2,0,2]=4 27 B11R0.3 C#CCOCCCCCCCC 34a_100000210232_100000184674 [0,0,0,0,0,0|2,0,2]=4 28 B11R0.3 C#CCOCCCCCCCC 34a_100000210247_100000210759 [0,0,0,0,0,0|2,0,2]=4 29 B11R0.3 C#CCOCCCCCCCC 7a_100000210232_100000038162 [0,0,0,0,0,0|2,0,2]=4 30 B11R0.3 C#CCSCCCCCCCC 62a_100000038162_100000210317 [0,0,0,0,0,0|2,0,2]=4 31 B11R0.3 C/C=C/C=C/COCCCCC 34a_100016283227_100000718602 [0,0,0,0,0,0|2,0,2]=4 32 B11R0.3 C/C=C/CCOCC/C=C\CC 34a_100016278192_100015370543 [0,0,0,0,0,0|2,0,2]=4 33 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [0,0,0,0,0,0|2,0,2]=4 34 B11R0.3 C/C=C/COCCC/C=C/CC 34a_100016287902_100102629194 [0,0,0,0,0,0|2,0,2]=4 35 B11R0.3 C/C=C/COCCC/C=C/CC 7a_100016287902_100102629194 [0,0,0,0,0,0|2,0,2]=4 36 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [0,0,0,0,0,0|2,0,2]=4 37 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [0,0,0,0,0,0|2,0,2]=4 38 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [0,0,0,0,0,0|2,0,2]=4 39 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [0,0,0,0,0,0|2,0,2]=4 40 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [0,0,0,0,0,0|2,0,2]=4 41 B11R0.3 C=CCCCCCCNCCO 2230a_100016997473_100011215473 [0,0,0,0,0,0|1,0,3]=4 42 B11R0.3 C=CCCCCCCNCCO 34a_100016990907_100011215473 [0,0,0,0,0,0|1,0,3]=4 43 B11R0.3 C=CCCCCCCOCCO 34a_200011216477_100000211926 [0,0,0,0,0,0|1,0,3]=4 44 B11R0.3 C=CCCCCCCOCCO 7a_200011216477_100000211926 [0,0,0,0,0,0|1,0,3]=4 45 B11R0.3 C=CCCCCCCSCCO 62a_100000211926_100011215473 [0,0,0,0,0,0|1,0,3]=4 46 B11R0.3 C=CCCCCCCSCCO 62a_100011215473_100000211926 [0,0,0,0,0,0|1,0,3]=4 47 B11R0.3 C=CCCCCNC/C=C\CC 2230a_100000703577_100103147603 [0,0,0,0,0,0|2,0,2]=4 48 B11R0.3 C=CCCCCNC/C=C\CC 34a_100000703577_100103147603 [0,0,0,0,0,0|2,0,2]=4 49 B11R0.3 C=CCCCCOC/C=C\CC 34a_100000766645_100103147603 [0,0,0,0,0,0|2,0,2]=4 50 B11R0.3 C=CCCCCOC/C=C\CC 34a_100016268518_100011215482 [0,0,0,0,0,0|2,0,2]=4 51 B11R0.3 C=CCCCCOC/C=C\CC 7a_100000766645_100103147603 [0,0,0,0,0,0|2,0,2]=4 52 B11R0.3 C=CCCCCSC/C=C\CC 62a_100011215482_100103147603 [0,0,0,0,0,0|2,0,2]=4 53 B11R0.3 C=CCCCCSC/C=C\CC 62a_100103147603_100011215482 [0,0,0,0,0,0|2,0,2]=4 54 B11R0.3 C=CCCCNCC/C=C\CC 2230a_100000700776_100015370543 [0,0,0,0,0,0|2,0,2]=4 55 B11R0.3 C=CCCCNCC/C=C\CC 34a_100000700776_100015370543 [0,0,0,0,0,0|2,0,2]=4 56 B11R0.3 C=CCCCOCC/C=C\CC 34a_100000758997_100015370543 [0,0,0,0,0,0|2,0,2]=4 57 B11R0.3 C=CCCCOCC/C=C\CC 34a_100016288707_100000757094 [0,0,0,0,0,0|2,0,2]=4 58 B11R0.3 C=CCCCOCC/C=C\CC 7a_100000758997_100015370543 [0,0,0,0,0,0|2,0,2]=4 59 B11R0.3 C=CCCCOCC/C=C\CC 7a_100016288707_100000757094 [0,0,0,0,0,0|2,0,2]=4 60 B11R0.3 C=CCCCSCC/C=C\CC 62a_100011713584_100015370543 [0,0,0,0,0,0|2,0,2]=4 61 B11R0.3 C=CCCCSCC/C=C\CC 62a_100015370543_100000757094 [0,0,0,0,0,0|2,0,2]=4 62 B11R0.3 C=CCCOCCC/C=C/CC 34a_100016287902_100000754431 [0,0,0,0,0,0|2,0,2]=4 63 B11R0.3 C=CCCOCCC/C=C/CC 7a_100016287902_100000754431 [0,0,0,0,0,0|2,0,2]=4 64 B11R0.3 C=CCNCCCCCCCC 2230a_100000229939_100000210623 [0,0,0,0,0,0|2,0,2]=4 65 B11R0.3 C=CCNCCCCCCCC 2230a_100020586998_100000210759 [0,0,0,0,0,0|2,0,2]=4 66 B11R0.3 C=CCNCCCCCCCC 34a_100000229939_100015514636 [0,0,0,0,0,0|2,0,2]=4 67 B11R0.3 C=CCOCCCC/C=C\CC 34a_100016287862_100015514636 [0,0,0,0,0,0|2,0,2]=4 68 B11R0.3 C=CCOCCCC/C=C\CC 7a_100016287862_100015514636 [0,0,0,0,0,0|2,0,2]=4 69 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [0,0,0,0,0,0|2,0,2]=4 70 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [0,0,0,0,0,0|2,0,2]=4 71 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [0,0,0,0,0,0|2,0,2]=4 72 B11R0.3 C=CCSCCCCCCCC 62a_100000210623_100000210317 [0,0,0,0,0,0|2,0,2]=4 73 B11R0.3 C=CCSCCCCCCCC 62a_100000210759_100000210623 [0,0,0,0,0,0|2,0,2]=4 74 B11R0.3 CC#CCCOCC/C=C\CC 34a_100000750427_100015370543 [0,0,0,0,0,0|2,0,2]=4 75 B11R0.3 CC#CCOCCC/C=C/CC 34a_100016287902_100000748600 [0,0,0,0,0,0|2,0,2]=4 76 B11R0.3 CC#CCOCCC/C=C/CC 7a_100016287902_100000748600 [0,0,0,0,0,0|2,0,2]=4 77 B11R0.3 CC/C=C/C/C=C/CCOCC 34a_200016273837_100000210202 [0,0,0,0,0,0|2,0,2]=4 78 B11R0.3 CC/C=C/C/C=C/CCOCC 7a_200016273837_100000210202 [0,0,0,0,0,0|2,0,2]=4 79 B11R0.3 CC/C=C/CC/C=C/COCC 34a_100016264143_100000210202 [0,0,0,0,0,0|2,0,2]=4 80 B11R0.3 CC/C=C/CC/C=C/COCC 7a_100016264143_100000210202 [0,0,0,0,0,0|2,0,2]=4 81 B11R0.3 CC/C=C/CCCOCCC#N 7a_100016287902_100000184422 [0,0,0,0,0,0|3,0,1]=4 82 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [0,0,0,0,0,0|2,0,0]=2 83 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [0,0,0,0,0,0|2,0,0]=2 84 B11R0.3 CC/C=C/CCCOCCCF 34a_100016287902_100011934791 [0,0,0,0,0,0|3,0,0]=3 85 B11R0.3 CC/C=C/CCCOCCCF 7a_100016287902_100011934791 [0,0,0,0,0,0|3,0,0]=3 86 B11R0.3 CC/C=C/CCCOCCCO 34a_100016287902_100000230001 [0,0,0,0,0,0|3,0,0]=3 87 B11R0.3 CC/C=C/CCCOCCCO 7a_100016287902_100011215043 [0,0,0,0,0,0|3,0,0]=3 88 B11R0.3 CC/C=C/CCCOCCOC 34a_100016287902_100011201679 [0,0,0,0,0,0|3,0,0]=3 89 B11R0.3 CC/C=C/CCCOCCOC 7a_100016287902_100000233755 [0,0,0,0,0,0|3,0,0]=3 90 B11R0.3 CC/C=C/CCCOCCSC 34a_100016287902_100000212216 [0,0,0,0,0,0|3,0,0]=3 91 B11R0.3 CC/C=C/CCCOCCSC 7a_100016287902_100000212216 [0,0,0,0,0,0|3,0,0]=3 92 B11R0.3 CC/C=C\CCC=NNCCC 4a_100000740057_100016279218 [0,0,0,0,0,0|3,0,1]=4 93 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [0,0,0,0,0,0|2,0,0]=2 94 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [0,0,0,0,0,0|2,0,0]=2 95 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [0,0,0,0,0,0|2,0,0]=2 96 B11R0.3 CC/C=C\CCCCCOCF 34a_100016268722_100015361967 [0,0,0,0,0,0|3,0,0]=3 97 B11R0.3 CC/C=C\CCCCCOCF 7a_100016268722_100015361967 [0,0,0,0,0,0|3,0,0]=3 98 B11R0.3 CC/C=C\CCCCOCC#N 7a_100016287862_100011215382 [0,0,0,0,0,0|3,0,1]=4 99 B11R0.3 CC/C=C\CCCCOCC=O 34a_100016287862_200009817547 [0,0,0,0,0,0|3,0,1]=4 100 B11R0.3 CC/C=C\CCCCOCC=O 7a_100016287862_200015260668 [0,0,0,0,0,0|3,0,1]=4 101 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [0,0,0,0,0,0|2,0,0]=2 102 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [0,0,0,0,0,0|2,0,0]=2 103 B11R0.3 CC/C=C\CCCCOCCF 34a_100016287862_100011217306 [0,0,0,0,0,0|3,0,0]=3 104 B11R0.3 CC/C=C\CCCCOCCF 7a_100016287862_100011217306 [0,0,0,0,0,0|3,0,0]=3 105 B11R0.3 CC/C=C\CCCCOCCO 34a_100016287862_100000211926 [0,0,0,0,0,0|3,0,0]=3 106 B11R0.3 CC/C=C\CCCCOCCO 7a_100016287862_100000211926 [0,0,0,0,0,0|3,0,0]=3 107 B11R0.3 CC/C=C\CCCCOCSC 34a_100016287862_100011218213 [0,0,0,0,0,0|3,0,0]=3 108 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [0,0,0,0,0,0|2,0,0]=2 109 B11R0.3 CC/C=C\CCNCCCCO 2230a_100000750430_100015370543 [0,0,0,0,0,0|3,0,0]=3 110 B11R0.3 CC/C=C\CCNCCCCO 34a_100000750430_100015370543 [0,0,0,0,0,0|3,0,0]=3 111 B11R0.3 CC/C=C\CCNCCCOC 34a_100150723488_100015370543 [0,0,0,0,0,0|3,0,0]=3 112 B11R0.3 CC/C=C\CCNCCCSC 2230a_100000749238_100015370543 [0,0,0,0,0,0|3,0,0]=3 113 B11R0.3 CC/C=C\CCNCCOCC 2230a_102516460346_100015370543 [0,0,0,0,0,0|3,0,0]=3 114 B11R0.3 CC/C=C\CCNCCOCC 34a_102516460346_100015370543 [0,0,0,0,0,0|3,0,0]=3 115 B11R0.3 CC/C=C\CCNCCSCC 2230a_100000106463_100015370543 [0,0,0,0,0,0|3,0,0]=3 116 B11R0.3 CC/C=C\CCOC/C=C\CC 34a_100016268518_100015370543 [0,0,0,0,0,0|2,0,2]=4 117 B11R0.3 CC/C=C\CCOC/C=C\CC 34a_100016288707_100103147603 [0,0,0,0,0,0|2,0,2]=4 118 B11R0.3 CC/C=C\CCOC/C=C\CC 7a_100016288707_100103147603 [0,0,0,0,0,0|2,0,2]=4 119 B11R0.3 CC/C=C\CCOCCCC#N 7a_100016288707_100000687738 [0,0,0,0,0,0|3,0,1]=4 120 B11R0.3 CC/C=C\CCOCCCC=O 7a_100016288707_200011292268 [0,0,0,0,0,0|3,0,1]=4 121 B11R0.3 CC/C=C\CCOCCCCBr 34a_100011216708_100015370543 [0,0,0,0,0,0|3,0,0]=3 122 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [0,0,0,0,0,0|2,0,0]=2 123 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [0,0,0,0,0,0|2,0,0]=2 124 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [0,0,0,0,0,0|2,0,0]=2 125 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [0,0,0,0,0,0|2,0,0]=2 126 B11R0.3 CC/C=C\CCOCCCCCl 34a_100000210776_100015370543 [0,0,0,0,0,0|3,0,0]=3 127 B11R0.3 CC/C=C\CCOCCCCCl 7a_100000210776_100015370543 [0,0,0,0,0,0|3,0,0]=3 128 B11R0.3 CC/C=C\CCOCCCCF 34a_100011995726_100015370543 [0,0,0,0,0,0|3,0,0]=3 129 B11R0.3 CC/C=C\CCOCCCCF 34a_100016288707_100000729493 [0,0,0,0,0,0|3,0,0]=3 130 B11R0.3 CC/C=C\CCOCCCCF 7a_100011995726_100015370543 [0,0,0,0,0,0|3,0,0]=3 131 B11R0.3 CC/C=C\CCOCCCCF 7a_100016288707_100000729493 [0,0,0,0,0,0|3,0,0]=3 132 B11R0.3 CC/C=C\CCOCCCCI 34a_200012148704_100015370543 [0,0,0,0,0,0|3,0,0]=3 133 B11R0.3 CC/C=C\CCOCCCCN 34a_100000750430_100015370543 [0,0,0,0,0,0|3,0,0]=3 134 B11R0.3 CC/C=C\CCOCCCCO 34a_100016288707_100011216708 [0,0,0,0,0,0|3,0,0]=3 135 B11R0.3 CC/C=C\CCOCCCCO 7a_100016288707_100000210776 [0,0,0,0,0,0|3,0,0]=3 136 B11R0.3 CC/C=C\CCOCCCNC 34a_100000213112_100015370543 [0,0,0,0,0,0|3,0,0]=3 137 B11R0.3 CC/C=C\CCOCCCOC 34a_100000740835_100015370543 [0,0,0,0,0,0|3,0,0]=3 138 B11R0.3 CC/C=C\CCOCCCOC 34a_100016288707_100000740836 [0,0,0,0,0,0|3,0,0]=3 139 B11R0.3 CC/C=C\CCOCCCOC 7a_100016288707_100000740836 [0,0,0,0,0,0|3,0,0]=3 140 B11R0.3 CC/C=C\CCOCCCSC 34a_100000690336_100015370543 [0,0,0,0,0,0|3,0,0]=3 141 B11R0.3 CC/C=C\CCOCCCSC 7a_100000690336_100015370543 [0,0,0,0,0,0|3,0,0]=3 142 B11R0.3 CC/C=C\CCOCCOCC 34a_100000210136_100015370543 [0,0,0,0,0,0|3,0,0]=3 143 B11R0.3 CC/C=C\CCOCCOCC 34a_100016288707_100000210147 [0,0,0,0,0,0|3,0,0]=3 144 B11R0.3 CC/C=C\CCOCCOCC 7a_100000210136_100015370543 [0,0,0,0,0,0|3,0,0]=3 145 B11R0.3 CC/C=C\CCOCCOCC 7a_100016288707_100011215890 [0,0,0,0,0,0|3,0,0]=3 146 B11R0.3 CC/C=C\CCOCCSCC 34a_100000212035_100015370543 [0,0,0,0,0,0|3,0,0]=3 147 B11R0.3 CC/C=C\CCOCCSCC 34a_100016288707_100000757381 [0,0,0,0,0,0|3,0,0]=3 148 B11R0.3 CC/C=C\CCOCCSCC 7a_100000212035_100015370543 [0,0,0,0,0,0|3,0,0]=3 149 B11R0.3 CC/C=C\CCOCCSCC 7a_100016288707_100000757381 [0,0,0,0,0,0|3,0,0]=3 150 B11R0.3 CC/C=C\CCSC/C=C\CC 62a_100015370543_100103147603 [0,0,0,0,0,0|2,0,2]=4 151 B11R0.3 CC/C=C\CCSC/C=C\CC 62a_100103147603_100015370543 [0,0,0,0,0,0|2,0,2]=4 152 B11R0.3 CC/C=C\CCSCCCC#N 62a_100000687738_100015370543 [0,0,0,0,0,0|3,0,1]=4 153 B11R0.3 CC/C=C\CCSCCCC#N 62a_100015370543_100000687738 [0,0,0,0,0,0|3,0,1]=4 154 B11R0.3 CC/C=C\CCSCCCC=O 62a_100015370543_200011292268 [0,0,0,0,0,0|3,0,1]=4 155 B11R0.3 CC/C=C\CCSCCCC=O 62a_200011292268_100015370543 [0,0,0,0,0,0|3,0,1]=4 156 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [0,0,0,0,0,0|2,0,0]=2 157 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [0,0,0,0,0,0|2,0,0]=2 158 B11R0.3 CC/C=C\CCSCCCCF 62a_100000729493_100015370543 [0,0,0,0,0,0|3,0,0]=3 159 B11R0.3 CC/C=C\CCSCCCCF 62a_100015370543_100000729493 [0,0,0,0,0,0|3,0,0]=3 160 B11R0.3 CC/C=C\CCSCCCCO 62a_100000210776_100015370543 [0,0,0,0,0,0|3,0,0]=3 161 B11R0.3 CC/C=C\CCSCCCCO 62a_100015370543_100000210776 [0,0,0,0,0,0|3,0,0]=3 162 B11R0.3 CC/C=C\CCSCCCOC 62a_100000709357_100015370543 [0,0,0,0,0,0|3,0,0]=3 163 B11R0.3 CC/C=C\CCSCCCOC 62a_100015370543_100000709357 [0,0,0,0,0,0|3,0,0]=3 164 B11R0.3 CC/C=C\CCSCCOCC 62a_100000210147_100015370543 [0,0,0,0,0,0|3,0,0]=3 165 B11R0.3 CC/C=C\CCSCCOCC 62a_100015370543_100011215890 [0,0,0,0,0,0|3,0,0]=3 166 B11R0.3 CC/C=C\CCSCCSCC 62a_100000757381_100015370543 [0,0,0,0,0,0|3,0,0]=3 167 B11R0.3 CC/C=C\CCSCCSCC 62a_100015370543_100000757381 [0,0,0,0,0,0|3,0,0]=3 168 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [0,0,0,0,0,0|2,0,0]=2 169 B11R0.3 CC/C=C\CNCCCCCO 2230a_100000762737_100103147603 [0,0,0,0,0,0|3,0,0]=3 170 B11R0.3 CC/C=C\CNCCCCCO 34a_100000762737_100103147603 [0,0,0,0,0,0|3,0,0]=3 171 B11R0.3 CC/C=C\CNCCCOCC 2230a_100000210961_100103147603 [0,0,0,0,0,0|3,0,0]=3 172 B11R0.3 CC/C=C\CNCCCOCC 34a_100000210961_100103147603 [0,0,0,0,0,0|3,0,0]=3 173 B11R0.3 CC/C=C\CNCCOCCC 2230a_100161115042_100103147603 [0,0,0,0,0,0|3,0,0]=3 174 B11R0.3 CC/C=C\CNCCOCCC 34a_100161115042_100103147603 [0,0,0,0,0,0|3,0,0]=3 175 B11R0.3 CC/C=C\CNCCOCCO 2230a_100000211614_100103147603 [0,0,0,0,0,0|4,0,0]=4 176 B11R0.3 CC/C=C\CNCCOCCO 34a_100000211614_100103147603 [0,0,0,0,0,0|4,0,0]=4 177 B11R0.3 CC/C=C\CNCCSCCC 2230a_100020603323_100103147603 [0,0,0,0,0,0|3,0,0]=3 178 B11R0.3 CC/C=C\CNCCSCCO 2230a_100011219999_100103147603 [0,0,0,0,0,0|4,0,0]=4 179 B11R0.3 CC/C=C\COC/C=C/CCC 34a_100016278788_100103147603 [0,0,0,0,0,0|2,0,2]=4 180 B11R0.3 CC/C=C\COC/C=C/CCC 7a_100016278788_100103147603 [0,0,0,0,0,0|2,0,2]=4 181 B11R0.3 CC/C=C\COCC#CCCC 34a_100000034806_100103147603 [0,0,0,0,0,0|2,0,2]=4 182 B11R0.3 CC/C=C\COCC#CCCC 7a_100000034806_100103147603 [0,0,0,0,0,0|2,0,2]=4 183 B11R0.3 CC/C=C\COCCCCCBr 34a_100000746331_100103147603 [0,0,0,0,0,0|3,0,0]=3 184 B11R0.3 CC/C=C\COCCCCCBr 7a_100000746331_100103147603 [0,0,0,0,0,0|3,0,0]=3 185 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [0,0,0,0,0,0|2,0,0]=2 186 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [0,0,0,0,0,0|2,0,0]=2 187 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [0,0,0,0,0,0|2,0,0]=2 188 B11R0.3 CC/C=C\COCCCCCCl 34a_100000746330_100103147603 [0,0,0,0,0,0|3,0,0]=3 189 B11R0.3 CC/C=C\COCCCCCCl 7a_100000746330_100103147603 [0,0,0,0,0,0|3,0,0]=3 190 B11R0.3 CC/C=C\COCCCCCF 34a_100016268518_100000729378 [0,0,0,0,0,0|3,0,0]=3 191 B11R0.3 CC/C=C\COCCCCCI 34a_200012148887_100103147603 [0,0,0,0,0,0|3,0,0]=3 192 B11R0.3 CC/C=C\COCCCCCI 7a_200012148887_100103147603 [0,0,0,0,0,0|3,0,0]=3 193 B11R0.3 CC/C=C\COCCCCCN 34a_100000762737_100103147603 [0,0,0,0,0,0|3,0,0]=3 194 B11R0.3 CC/C=C\COCCCCCO 34a_100016268518_100000746330 [0,0,0,0,0,0|3,0,0]=3 195 B11R0.3 CC/C=C\COCCCCOC 34a_100000740925_100103147603 [0,0,0,0,0,0|3,0,0]=3 196 B11R0.3 CC/C=C\COCCCCOC 34a_100016268518_100000755781 [0,0,0,0,0,0|3,0,0]=3 197 B11R0.3 CC/C=C\COCCCCSC 34a_100011217163_100103147603 [0,0,0,0,0,0|3,0,0]=3 198 B11R0.3 CC/C=C\COCCCCSC 7a_100011217163_100103147603 [0,0,0,0,0,0|3,0,0]=3 199 B11R0.3 CC/C=C\COCCCOCC 34a_100000757476_100103147603 [0,0,0,0,0,0|3,0,0]=3 200 B11R0.3 CC/C=C\COCCCOCC 34a_100016268518_100012232248 [0,0,0,0,0,0|3,0,0]=3 201 B11R0.3 CC/C=C\COCCCOCC 7a_100000757476_100103147603 [0,0,0,0,0,0|3,0,0]=3 202 B11R0.3 CC/C=C\COCCCSCC 34a_100011216438_100103147603 [0,0,0,0,0,0|3,0,0]=3 203 B11R0.3 CC/C=C\COCCCSCC 7a_100011216438_100103147603 [0,0,0,0,0,0|3,0,0]=3 204 B11R0.3 CC/C=C\COCCOCCBr 34a_100000692535_100103147603 [0,0,0,0,0,0|4,0,0]=4 205 B11R0.3 CC/C=C\COCCOCCBr 7a_100000692535_100103147603 [0,0,0,0,0,0|4,0,0]=4 206 B11R0.3 CC/C=C\COCCOCCC 34a_100000752267_100103147603 [0,0,0,0,0,0|3,0,0]=3 207 B11R0.3 CC/C=C\COCCOCCC 34a_100016268518_100011215938 [0,0,0,0,0,0|3,0,0]=3 208 B11R0.3 CC/C=C\COCCOCCC 7a_100000752267_100103147603 [0,0,0,0,0,0|3,0,0]=3 209 B11R0.3 CC/C=C\COCCOCCCl 34a_100011215305_100103147603 [0,0,0,0,0,0|4,0,0]=4 210 B11R0.3 CC/C=C\COCCOCCCl 7a_100011215305_100103147603 [0,0,0,0,0,0|4,0,0]=4 211 B11R0.3 CC/C=C\COCCOCCF 34a_200015357709_100103147603 [0,0,0,0,0,0|4,0,0]=4 212 B11R0.3 CC/C=C\COCCOCCF 7a_200015357709_100103147603 [0,0,0,0,0,0|4,0,0]=4 213 B11R0.3 CC/C=C\COCCOCCI 34a_100012149058_100103147603 [0,0,0,0,0,0|4,0,0]=4 214 B11R0.3 CC/C=C\COCCOCCI 7a_100012149058_100103147603 [0,0,0,0,0,0|4,0,0]=4 215 B11R0.3 CC/C=C\COCCOCCN 34a_100000211614_100103147603 [0,0,0,0,0,0|4,0,0]=4 216 B11R0.3 CC/C=C\COCCOCCO 34a_100016268518_100000692535 [0,0,0,0,0,0|4,0,0]=4 217 B11R0.3 CC/C=C\COCCSCCC 34a_200000230433_100103147603 [0,0,0,0,0,0|3,0,0]=3 218 B11R0.3 CC/C=C\COCCSCCC 7a_200000230433_100103147603 [0,0,0,0,0,0|3,0,0]=3 219 B11R0.3 CC/C=C\COCOCCCC 34a_100016268518_100011995733 [0,0,0,0,0,0|3,0,0]=3 220 B11R0.3 CC/C=C\CSCCCCC#N 62a_100011219923_100103147603 [0,0,0,0,0,0|3,0,1]=4 221 B11R0.3 CC/C=C\CSCCCCC#N 62a_100103147603_100000211819 [0,0,0,0,0,0|3,0,1]=4 222 B11R0.3 CC/C=C\CSCCCCC=O 62a_100000139335_100103147603 [0,0,0,0,0,0|3,0,1]=4 223 B11R0.3 CC/C=C\CSCCCCC=O 62a_100103147603_100000139335 [0,0,0,0,0,0|3,0,1]=4 224 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [0,0,0,0,0,0|2,0,0]=2 225 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [0,0,0,0,0,0|2,0,0]=2 226 B11R0.3 CC/C=C\CSCCCCCF 62a_100000729378_100103147603 [0,0,0,0,0,0|3,0,0]=3 227 B11R0.3 CC/C=C\CSCCCCCF 62a_100103147603_100000729378 [0,0,0,0,0,0|3,0,0]=3 228 B11R0.3 CC/C=C\CSCCCCCO 62a_100000746330_100103147603 [0,0,0,0,0,0|3,0,0]=3 229 B11R0.3 CC/C=C\CSCCCCCO 62a_100103147603_100000746330 [0,0,0,0,0,0|3,0,0]=3 230 B11R0.3 CC/C=C\CSCCCCOC 62a_100000730899_100103147603 [0,0,0,0,0,0|3,0,0]=3 231 B11R0.3 CC/C=C\CSCCCCOC 62a_100103147603_100000730899 [0,0,0,0,0,0|3,0,0]=3 232 B11R0.3 CC/C=C\CSCCCOCC 62a_100012232248_100103147603 [0,0,0,0,0,0|3,0,0]=3 233 B11R0.3 CC/C=C\CSCCCOCC 62a_100103147603_100012232248 [0,0,0,0,0,0|3,0,0]=3 234 B11R0.3 CC/C=C\CSCCOCCC 62a_100011215938_100103147603 [0,0,0,0,0,0|3,0,0]=3 235 B11R0.3 CC/C=C\CSCCOCCC 62a_100103147603_100011215938 [0,0,0,0,0,0|3,0,0]=3 236 B11R0.3 CC/C=C\CSCCOCCO 62a_100011215305_100103147603 [0,0,0,0,0,0|4,0,0]=4 237 B11R0.3 CC/C=C\CSCCOCCO 62a_100103147603_100011215305 [0,0,0,0,0,0|4,0,0]=4 238 B11R0.3 CC/C=C\CSCOCCCC 62a_100011995733_100103147603 [0,0,0,0,0,0|3,0,0]=3 239 B11R0.3 CC/C=C\CSCOCCCC 62a_100103147603_100011995733 [0,0,0,0,0,0|3,0,0]=3 240 B11R0.3 CC/C=C\CSCOCCOC 62a_100000231047_100103147603 [0,0,0,0,0,0|4,0,0]=4 241 B11R0.3 CC/C=C\CSCOCCOC 62a_100103147603_100000231047 [0,0,0,0,0,0|4,0,0]=4 242 B11R0.3 CC=C=CCCOCCCCC 34a_100011020354_100000718602 [0,0,0,0,0,0|2,0,2]=4 243 B11R0.3 CC=CCCCOC/C=C\CC 34a_100020645299_100103147603 [0,0,0,0,0,0|2,0,2]=4 244 B11R0.3 CC=CCCCOCCCCC 34a_100020645299_100000718602 [0,0,0,0,0,0|2,0,2]=4 245 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [0,0,0,0,0,0|2,0,2]=4 246 B11R0.3 CC=CCOCCC/C=C/CC 34a_100016287902_100000070051 [0,0,0,0,0,0|2,0,2]=4 247 B11R0.3 CC=CCOCCC/C=C/CC 7a_100016287902_100000070051 [0,0,0,0,0,0|2,0,2]=4 248 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [0,0,0,0,0,0|2,0,2]=4 249 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [0,0,0,0,0,0|2,0,2]=4 250 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [0,0,0,0,0,0|2,0,2]=4 251 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [0,0,0,0,0,0|2,0,2]=4 252 B11R0.3 CCC#CCCCCCCNC 2230a_106832991635_200000036426 [0,0,0,0,0,0|2,0,2]=4 253 B11R0.3 CCC#CCCCCCCNC 34a_100102657272_200000036426 [0,0,0,0,0,0|2,0,2]=4 254 B11R0.3 CCC#CCCCCCCNC 7a_106832991635_200000036426 [0,0,0,0,0,0|2,0,2]=4 255 B11R0.3 CCC#CCCCCCCOC 34a_100138415774_200000036426 [0,0,0,0,0,0|2,0,2]=4 256 B11R0.3 CCC#CCCCCCCSC 62a_200000036426_200000210301 [0,0,0,0,0,0|2,0,2]=4 257 B11R0.3 CCC#CCCCCCCSC 62a_200000210301_200000036426 [0,0,0,0,0,0|2,0,2]=4 258 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200000036426_200025704644 [0,0,0,0,0,0|2,0,2]=4 259 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200025704644_200000036426 [0,0,0,0,0,0|2,0,2]=4 260 B11R0.3 CCC#CCCOC/C=C\CC 34a_100000036655_100103147603 [0,0,0,0,0,0|2,0,2]=4 261 B11R0.3 CCC#CCCOC/C=C\CC 7a_100000036655_100103147603 [0,0,0,0,0,0|2,0,2]=4 262 B11R0.3 CCC#CCCOCCCCC 34a_100000036655_100000718602 [0,0,0,0,0,0|2,0,2]=4 263 B11R0.3 CCC#CCCOCCCCC 7a_100000036655_100000210326 [0,0,0,0,0,0|2,0,2]=4 264 B11R0.3 CCC#CCNCCCCCC 2230a_100000210581_100009813939 [0,0,0,0,0,0|2,0,2]=4 265 B11R0.3 CCC#CCOCC/C=C\CC 34a_100000032950_100015370543 [0,0,0,0,0,0|2,0,2]=4 266 B11R0.3 CCC#CCOCC/C=C\CC 34a_100016288707_100009813939 [0,0,0,0,0,0|2,0,2]=4 267 B11R0.3 CCC#CCOCC/C=C\CC 7a_100016288707_100009813939 [0,0,0,0,0,0|2,0,2]=4 268 B11R0.3 CCC#CCOCCCCCC 34a_100000032950_100000210314 [0,0,0,0,0,0|2,0,2]=4 269 B11R0.3 CCC#CCOCCCCCC 34a_100000210259_100009813939 [0,0,0,0,0,0|2,0,2]=4 270 B11R0.3 CCC#CCOCCCCCC 7a_100000210259_100009813939 [0,0,0,0,0,0|2,0,2]=4 271 B11R0.3 CCC#CCSCC/C=C\CC 62a_100009813939_100015370543 [0,0,0,0,0,0|2,0,2]=4 272 B11R0.3 CCC#CCSCC/C=C\CC 62a_100015370543_100009813939 [0,0,0,0,0,0|2,0,2]=4 273 B11R0.3 CCC#CCSCCCCCC 62a_100000210314_100009813939 [0,0,0,0,0,0|2,0,2]=4 274 B11R0.3 CCC#CCSCCCCCC 62a_100009813939_100000210757 [0,0,0,0,0,0|2,0,2]=4 275 B11R0.3 CCC/C=C/COCCCCC 34a_100016278788_100000718602 [0,0,0,0,0,0|2,0,2]=4 276 B11R0.3 CCC/C=C/COCCCCC 7a_100016278788_100000210326 [0,0,0,0,0,0|2,0,2]=4 277 B11R0.3 CCC=CC=NNCCCCC 4a_100000694160_100011216943 [0,0,0,0,0,0|3,0,1]=4 278 B11R0.3 CCCC/C=C\CCOCCO 34a_200016286491_100000211926 [0,0,0,0,0,0|1,0,3]=4 279 B11R0.3 CCCC/C=C\CCOCCO 7a_200016286491_100000211926 [0,0,0,0,0,0|1,0,3]=4 280 B11R0.3 CCCCC#CCCOCCO 34a_100000037610_100000211926 [0,0,0,0,0,0|1,0,3]=4 281 B11R0.3 CCCCC#CCCOCCO 7a_100000037610_100000211926 [0,0,0,0,0,0|1,0,3]=4 282 B11R0.3 CCCCC/C=C/COCCO 34a_100016258190_100000211926 [0,0,0,0,0,0|1,0,3]=4 283 B11R0.3 CCCCC/C=C/COCCO 7a_100016258190_100000211926 [0,0,0,0,0,0|1,0,3]=4 284 B11R0.3 CCCCCC#CCNCCO 2230a_100016997473_100009816472 [0,0,0,0,0,0|1,0,3]=4 285 B11R0.3 CCCCCC#CCNCCO 34a_100016990907_100009816472 [0,0,0,0,0,0|1,0,3]=4 286 B11R0.3 CCCCCC#CCOCCO 34a_200000033628_100000211926 [0,0,0,0,0,0|1,0,3]=4 287 B11R0.3 CCCCCC#CCOCCO 7a_200000033628_100000211926 [0,0,0,0,0,0|1,0,3]=4 288 B11R0.3 CCCCCC#CCSCCO 62a_100000211926_100009816472 [0,0,0,0,0,0|1,0,3]=4 289 B11R0.3 CCCCCC#CCSCCO 62a_100009816472_100000211926 [0,0,0,0,0,0|1,0,3]=4 290 B11R0.3 CCCCCCC=NNCCO 4a_100000210001_100000234349 [0,0,0,0,0,0|2,0,2]=4 291 B11R0.3 CCCCCCCC=NNCC 4a_100000756455_100000210592 [0,0,0,0,0,0|3,0,1]=4 292 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [0,0,0,0,0,0|2,0,2]=4 293 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [0,0,0,0,0,0|2,0,2]=4 294 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [0,0,0,0,0,0|2,0,2]=4 295 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [0,0,0,0,0,0|2,0,2]=4 296 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [0,0,0,0,0,0|2,0,2]=4 297 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [0,0,0,0,0,0|2,0,2]=4 298 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [0,0,0,0,0,0|2,0,2]=4 299 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [0,0,0,0,0,0|2,0,2]=4 300 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [0,0,0,0,0,0|2,0,2]=4 301 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [0,0,0,0,0,0|2,0,2]=4 302 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [0,0,0,0,0,0|2,0,2]=4 303 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [0,0,0,0,0,0|2,0,2]=4 304 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [0,0,0,0,0,0|2,0,2]=4 305 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [0,0,0,0,0,0|2,0,2]=4 306 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [0,0,0,0,0,0|2,0,1]=3 307 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [0,0,0,0,0,0|2,0,1]=3 308 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [0,0,0,0,0,0|2,0,1]=3 309 B11R0.3 CCCCCCCCCNCF 34a_100000212291_100015361967 [0,0,0,0,0,0|2,0,1]=3 310 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [0,0,0,0,0,0|2,0,1]=3 311 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [0,0,0,0,0,0|2,0,1]=3 312 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [0,0,0,0,0,0|2,0,1]=3 313 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [0,0,0,0,0,0|2,0,1]=3 314 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [0,0,0,0,0,0|2,0,1]=3 315 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [0,0,0,0,0,0|2,0,1]=3 316 B11R0.3 CCCCCCCCCSCF 62a_100015361967_100000210670 [0,0,0,0,0,0|2,0,1]=3 317 B11R0.3 CCCCCCCCNCC#N 2230a_100000229939_100011215382 [0,0,0,0,0,0|2,0,2]=4 318 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [0,0,0,0,0,0|1,0,3]=4 319 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [0,0,0,0,0,0|1,0,3]=4 320 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [0,0,0,0,0,0|2,0,1]=3 321 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [0,0,0,0,0,0|2,0,1]=3 322 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [0,0,0,0,0,0|2,0,1]=3 323 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [0,0,0,0,0,0|2,0,1]=3 324 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [0,0,0,0,0,0|2,0,1]=3 325 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [0,0,0,0,0,0|1,0,1]=2 326 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [0,0,0,0,0,0|1,0,1]=2 327 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [0,0,0,0,0,0|1,0,1]=2 328 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [0,0,0,0,0,0|1,0,1]=2 329 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [0,0,0,0,0,0|3,0,1]=4 330 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [0,0,0,0,0,0|3,0,1]=4 331 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [0,0,0,0,0,0|3,0,1]=4 332 B11R0.3 CCCCCCCCOCC#N 7a_100000210232_100011215382 [0,0,0,0,0,0|2,0,2]=4 333 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [0,0,0,0,0,0|1,0,3]=4 334 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [0,0,0,0,0,0|1,0,3]=4 335 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [0,0,0,0,0,0|2,0,1]=3 336 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [0,0,0,0,0,0|2,0,1]=3 337 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [0,0,0,0,0,0|2,0,1]=3 338 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [0,0,0,0,0,0|2,0,1]=3 339 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [0,0,0,0,0,0|2,0,1]=3 340 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [0,0,0,0,0,0|2,0,1]=3 341 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [0,0,0,0,0,0|2,0,1]=3 342 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [0,0,0,0,0,0|1,0,1]=2 343 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [0,0,0,0,0,0|1,0,1]=2 344 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [0,0,0,0,0,0|3,0,1]=4 345 B11R0.3 CCCCCCCCSCC#N 62a_100000210759_100011215382 [0,0,0,0,0,0|2,0,2]=4 346 B11R0.3 CCCCCCCCSCC#N 62a_100011215382_100000210317 [0,0,0,0,0,0|2,0,2]=4 347 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [0,0,0,0,0,0|1,0,3]=4 348 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [0,0,0,0,0,0|1,0,3]=4 349 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [0,0,0,0,0,0|2,0,1]=3 350 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [0,0,0,0,0,0|2,0,1]=3 351 B11R0.3 CCCCCCCCSCCF 62a_100000210759_100011217306 [0,0,0,0,0,0|2,0,1]=3 352 B11R0.3 CCCCCCCCSCCF 62a_100011217306_100000210317 [0,0,0,0,0,0|2,0,1]=3 353 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [0,0,0,0,0,0|1,0,1]=2 354 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [0,0,0,0,0,0|1,0,1]=2 355 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [0,0,0,0,0,0|3,0,1]=4 356 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [0,0,0,0,0,0|3,0,1]=4 357 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [0,0,0,0,0,0|3,0,1]=4 358 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [0,0,0,0,0,0|3,0,1]=4 359 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [0,0,0,0,0,0|2,0,2]=4 360 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [0,0,0,0,0,0|2,0,2]=4 361 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [0,0,0,0,0,0|2,0,2]=4 362 B11R0.3 CCCCCCCNCCCF 2230a_100000229938_100011934791 [0,0,0,0,0,0|2,0,2]=4 363 B11R0.3 CCCCCCCNCCCF 2230a_100015189416_100000210681 [0,0,0,0,0,0|2,0,2]=4 364 B11R0.3 CCCCCCCNCCCF 34a_100015189416_100000210614 [0,0,0,0,0,0|2,0,2]=4 365 B11R0.3 CCCCCCCNCCCO 2230a_100000229938_100000230001 [0,0,0,0,0,0|1,0,2]=3 366 B11R0.3 CCCCCCCOCCCBr 34a_100011217188_100000210614 [0,0,0,0,0,0|2,0,2]=4 367 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [0,0,0,0,0,0|2,0,2]=4 368 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [0,0,0,0,0,0|2,0,2]=4 369 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [0,0,0,0,0,0|2,0,2]=4 370 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [0,0,0,0,0,0|2,0,2]=4 371 B11R0.3 CCCCCCCOCCCCl 34a_100000230001_100000210614 [0,0,0,0,0,0|2,0,2]=4 372 B11R0.3 CCCCCCCOCCCF 34a_100000210272_100011934791 [0,0,0,0,0,0|2,0,2]=4 373 B11R0.3 CCCCCCCOCCCF 34a_100000759539_100000210614 [0,0,0,0,0,0|2,0,2]=4 374 B11R0.3 CCCCCCCOCCCF 7a_100000210272_100011934791 [0,0,0,0,0,0|2,0,2]=4 375 B11R0.3 CCCCCCCOCCCN 34a_100000182051_100000210614 [0,0,0,0,0,0|2,0,2]=4 376 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [0,0,0,0,0,0|1,0,2]=3 377 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [0,0,0,0,0,0|1,0,2]=3 378 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [0,0,0,0,0,0|2,0,2]=4 379 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [0,0,0,0,0,0|2,0,2]=4 380 B11R0.3 CCCCCCCSCCCF 62a_100000210614_100011934791 [0,0,0,0,0,0|2,0,2]=4 381 B11R0.3 CCCCCCCSCCCF 62a_100011934791_100000210316 [0,0,0,0,0,0|2,0,2]=4 382 B11R0.3 CCCCCCCSCCCO 62a_100000210614_100011215043 [0,0,0,0,0,0|1,0,2]=3 383 B11R0.3 CCCCCCCSCCCO 62a_100011215043_100000210316 [0,0,0,0,0,0|1,0,2]=3 384 B11R0.3 CCCCCCCSCOCC 62a_100000210614_100000739092 [0,0,0,0,0,0|3,0,1]=4 385 B11R0.3 CCCCCCCSCOCC 62a_100000739092_100000210316 [0,0,0,0,0,0|3,0,1]=4 386 B11R0.3 CCCCCCNCC#CCO 2230a_100000210581_200000047223 [0,0,0,0,0,0|1,0,2]=3 387 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [0,0,0,0,0,0|2,0,2]=4 388 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [0,0,0,0,0,0|2,0,2]=4 389 B11R0.3 CCCCCCNCCCCF 2230a_100000210581_100000729493 [0,0,0,0,0,0|2,0,2]=4 390 B11R0.3 CCCCCCNCCCCO 2230a_100000210581_100000210776 [0,0,0,0,0,0|1,0,2]=3 391 B11R0.3 CCCCCCNCCCCO 2230a_100000750430_100000210314 [0,0,0,0,0,0|1,0,2]=3 392 B11R0.3 CCCCCCNCCCCO 34a_100000750430_100000210314 [0,0,0,0,0,0|1,0,2]=3 393 B11R0.3 CCCCCCNCCOCC 2230a_100000210581_100011215890 [0,0,0,0,0,0|3,0,1]=4 394 B11R0.3 CCCCCCNCCOCC 2230a_102516460346_100000210314 [0,0,0,0,0,0|3,0,1]=4 395 B11R0.3 CCCCCCNCCOCC 34a_102516460346_100000210314 [0,0,0,0,0,0|3,0,1]=4 396 B11R0.3 CCCCCCNCCSCC 2230a_100000106463_100000210314 [0,0,0,0,0,0|3,0,1]=4 397 B11R0.3 CCCCCCNCCSCC 2230a_100000210581_100000757381 [0,0,0,0,0,0|3,0,1]=4 398 B11R0.3 CCCCCCOCC#CCCl 34a_200000047223_100000210314 [0,0,0,0,0,0|2,0,2]=4 399 B11R0.3 CCCCCCOCC#CCO 34a_100000210259_200000047223 [0,0,0,0,0,0|1,0,2]=3 400 B11R0.3 CCCCCCOCC#CCO 7a_100000210259_200000047223 [0,0,0,0,0,0|1,0,2]=3 401 B11R0.3 CCCCCCOCCCCBr 34a_100011216708_100000210314 [0,0,0,0,0,0|2,0,2]=4 402 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [0,0,0,0,0,0|2,0,2]=4 403 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [0,0,0,0,0,0|2,0,2]=4 404 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [0,0,0,0,0,0|2,0,2]=4 405 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [0,0,0,0,0,0|2,0,2]=4 406 B11R0.3 CCCCCCOCCCCCl 34a_100000210776_100000210314 [0,0,0,0,0,0|2,0,2]=4 407 B11R0.3 CCCCCCOCCCCCl 7a_100000210776_100000210314 [0,0,0,0,0,0|2,0,2]=4 408 B11R0.3 CCCCCCOCCCCF 34a_100000210259_100000729493 [0,0,0,0,0,0|2,0,2]=4 409 B11R0.3 CCCCCCOCCCCF 34a_100011995726_100000210314 [0,0,0,0,0,0|2,0,2]=4 410 B11R0.3 CCCCCCOCCCCF 7a_100000210259_100000729493 [0,0,0,0,0,0|2,0,2]=4 411 B11R0.3 CCCCCCOCCCCF 7a_100011995726_100000210314 [0,0,0,0,0,0|2,0,2]=4 412 B11R0.3 CCCCCCOCCCCI 34a_200012148704_100000210314 [0,0,0,0,0,0|2,0,2]=4 413 B11R0.3 CCCCCCOCCCCN 34a_100000750430_100000210314 [0,0,0,0,0,0|2,0,2]=4 414 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [0,0,0,0,0,0|1,0,2]=3 415 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [0,0,0,0,0,0|1,0,2]=3 416 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [0,0,0,0,0,0|3,0,1]=4 417 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [0,0,0,0,0,0|3,0,1]=4 418 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [0,0,0,0,0,0|3,0,1]=4 419 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [0,0,0,0,0,0|3,0,1]=4 420 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [0,0,0,0,0,0|3,0,1]=4 421 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [0,0,0,0,0,0|3,0,1]=4 422 B11R0.3 CCCCCCOCCOCF 34a_100000691444_100015361967 [0,0,0,0,0,0|3,0,1]=4 423 B11R0.3 CCCCCCOCCOCF 7a_100000691444_100015361967 [0,0,0,0,0,0|3,0,1]=4 424 B11R0.3 CCCCCCOCCSCC 34a_100000210259_100000757381 [0,0,0,0,0,0|3,0,1]=4 425 B11R0.3 CCCCCCOCCSCC 34a_100000212035_100000210314 [0,0,0,0,0,0|3,0,1]=4 426 B11R0.3 CCCCCCOCCSCC 7a_100000210259_100000757381 [0,0,0,0,0,0|3,0,1]=4 427 B11R0.3 CCCCCCOCCSCC 7a_100000212035_100000210314 [0,0,0,0,0,0|3,0,1]=4 428 B11R0.3 CCCCCCSCC#CCO 62a_100000210314_200000047223 [0,0,0,0,0,0|1,0,2]=3 429 B11R0.3 CCCCCCSCC#CCO 62a_200000047223_100000210757 [0,0,0,0,0,0|1,0,2]=3 430 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [0,0,0,0,0,0|2,0,2]=4 431 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [0,0,0,0,0,0|2,0,2]=4 432 B11R0.3 CCCCCCSCCCCF 62a_100000210314_100000729493 [0,0,0,0,0,0|2,0,2]=4 433 B11R0.3 CCCCCCSCCCCF 62a_100000729493_100000210757 [0,0,0,0,0,0|2,0,2]=4 434 B11R0.3 CCCCCCSCCCCO 62a_100000210314_100000210776 [0,0,0,0,0,0|1,0,2]=3 435 B11R0.3 CCCCCCSCCCCO 62a_100000210776_100000210757 [0,0,0,0,0,0|1,0,2]=3 436 B11R0.3 CCCCCCSCCOCC 62a_100000210147_100000210757 [0,0,0,0,0,0|3,0,1]=4 437 B11R0.3 CCCCCCSCCOCC 62a_100000210314_100011215890 [0,0,0,0,0,0|3,0,1]=4 438 B11R0.3 CCCCCCSCCSCC 62a_100000210314_100000757381 [0,0,0,0,0,0|3,0,1]=4 439 B11R0.3 CCCCCCSCCSCC 62a_100000757381_100000210757 [0,0,0,0,0,0|3,0,1]=4 440 B11R0.3 CCCCCNCCCCCF 2230a_100000209983_100000729378 [0,0,0,0,0,0|2,0,2]=4 441 B11R0.3 CCCCCNCCCCCO 2230a_100000209983_100000746330 [0,0,0,0,0,0|1,0,2]=3 442 B11R0.3 CCCCCNCCCCCO 2230a_100000762737_100000210326 [0,0,0,0,0,0|1,0,2]=3 443 B11R0.3 CCCCCNCCCCCO 34a_100000762737_100000718602 [0,0,0,0,0,0|1,0,2]=3 444 B11R0.3 CCCCCNCCCOCC 2230a_100000209983_100012232248 [0,0,0,0,0,0|3,0,1]=4 445 B11R0.3 CCCCCNCCCOCC 2230a_100000210961_100000210326 [0,0,0,0,0,0|3,0,1]=4 446 B11R0.3 CCCCCNCCCOCC 34a_100000210961_100000718602 [0,0,0,0,0,0|3,0,1]=4 447 B11R0.3 CCCCCNCCOCCC 2230a_100000209983_100011215938 [0,0,0,0,0,0|3,0,1]=4 448 B11R0.3 CCCCCNCCOCCC 2230a_100161115042_100000210326 [0,0,0,0,0,0|3,0,1]=4 449 B11R0.3 CCCCCNCCOCCC 34a_100000224656_100000210303 [0,0,0,0,0,0|3,0,1]=4 450 B11R0.3 CCCCCNCCOCCC 34a_100161115042_100000718602 [0,0,0,0,0,0|3,0,1]=4 451 B11R0.3 CCCCCNCCOCCF 34a_100000224656_100011217306 [0,0,0,0,0,0|3,0,1]=4 452 B11R0.3 CCCCCNCCOCCO 2230a_100000209983_100011215305 [0,0,0,0,0,0|2,0,1]=3 453 B11R0.3 CCCCCNCCOCCO 2230a_100000211614_100000210326 [0,0,0,0,0,0|2,0,1]=3 454 B11R0.3 CCCCCNCCOCCO 34a_100000211614_100000718602 [0,0,0,0,0,0|2,0,1]=3 455 B11R0.3 CCCCCNCCOCCO 34a_100000224656_100000211926 [0,0,0,0,0,0|2,0,1]=3 456 B11R0.3 CCCCCNCCSCCC 2230a_100020603323_100000210326 [0,0,0,0,0,0|3,0,1]=4 457 B11R0.3 CCCCCNCCSCCO 2230a_100011219999_100000210326 [0,0,0,0,0,0|2,0,1]=3 458 B11R0.3 CCCCCOCCCCCBr 34a_100000746331_100000718602 [0,0,0,0,0,0|2,0,2]=4 459 B11R0.3 CCCCCOCCCCCBr 7a_100000746331_100000210326 [0,0,0,0,0,0|2,0,2]=4 460 B11R0.3 CCCCCOCCCCCCl 34a_100000746330_100000718602 [0,0,0,0,0,0|2,0,2]=4 461 B11R0.3 CCCCCOCCCCCCl 7a_100000746330_100000210326 [0,0,0,0,0,0|2,0,2]=4 462 B11R0.3 CCCCCOCCCCCF 34a_100000210253_100000729378 [0,0,0,0,0,0|2,0,2]=4 463 B11R0.3 CCCCCOCCCCCF 7a_100000210253_100000729378 [0,0,0,0,0,0|2,0,2]=4 464 B11R0.3 CCCCCOCCCCCI 34a_200012148887_100000718602 [0,0,0,0,0,0|2,0,2]=4 465 B11R0.3 CCCCCOCCCCCI 7a_200012148887_100000210326 [0,0,0,0,0,0|2,0,2]=4 466 B11R0.3 CCCCCOCCCCCN 34a_100000762737_100000718602 [0,0,0,0,0,0|2,0,2]=4 467 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [0,0,0,0,0,0|1,0,2]=3 468 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [0,0,0,0,0,0|1,0,2]=3 469 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [0,0,0,0,0,0|3,0,1]=4 470 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [0,0,0,0,0,0|3,0,1]=4 471 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [0,0,0,0,0,0|3,0,1]=4 472 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [0,0,0,0,0,0|3,0,1]=4 473 B11R0.3 CCCCCOCCCSCC 34a_100011216438_100000718602 [0,0,0,0,0,0|3,0,1]=4 474 B11R0.3 CCCCCOCCCSCC 7a_100011216438_100000210326 [0,0,0,0,0,0|3,0,1]=4 475 B11R0.3 CCCCCOCCOCCBr 34a_100000692535_100000718602 [0,0,0,0,0,0|3,0,1]=4 476 B11R0.3 CCCCCOCCOCCBr 7a_100000692535_100000210326 [0,0,0,0,0,0|3,0,1]=4 477 B11R0.3 CCCCCOCCOCCC 34a_100000210253_100011215938 [0,0,0,0,0,0|3,0,1]=4 478 B11R0.3 CCCCCOCCOCCC 34a_100000752267_100000718602 [0,0,0,0,0,0|3,0,1]=4 479 B11R0.3 CCCCCOCCOCCC 34a_100011215259_100000210303 [0,0,0,0,0,0|3,0,1]=4 480 B11R0.3 CCCCCOCCOCCC 7a_100000210253_100011215938 [0,0,0,0,0,0|3,0,1]=4 481 B11R0.3 CCCCCOCCOCCC 7a_100000752267_100000210326 [0,0,0,0,0,0|3,0,1]=4 482 B11R0.3 CCCCCOCCOCCC 7a_100011215259_100000210303 [0,0,0,0,0,0|3,0,1]=4 483 B11R0.3 CCCCCOCCOCCCl 34a_100011215305_100000718602 [0,0,0,0,0,0|3,0,1]=4 484 B11R0.3 CCCCCOCCOCCCl 7a_100011215305_100000210326 [0,0,0,0,0,0|3,0,1]=4 485 B11R0.3 CCCCCOCCOCCF 34a_100011215259_100011217306 [0,0,0,0,0,0|3,0,1]=4 486 B11R0.3 CCCCCOCCOCCF 34a_200015357709_100000718602 [0,0,0,0,0,0|3,0,1]=4 487 B11R0.3 CCCCCOCCOCCF 7a_100011215259_100011217306 [0,0,0,0,0,0|3,0,1]=4 488 B11R0.3 CCCCCOCCOCCF 7a_200015357709_100000210326 [0,0,0,0,0,0|3,0,1]=4 489 B11R0.3 CCCCCOCCOCCI 34a_100012149058_100000718602 [0,0,0,0,0,0|3,0,1]=4 490 B11R0.3 CCCCCOCCOCCI 7a_100012149058_100000210326 [0,0,0,0,0,0|3,0,1]=4 491 B11R0.3 CCCCCOCCOCCN 34a_100000211614_100000718602 [0,0,0,0,0,0|3,0,1]=4 492 B11R0.3 CCCCCOCCOCCO 34a_100000210253_100000692535 [0,0,0,0,0,0|2,0,1]=3 493 B11R0.3 CCCCCOCCOCCO 34a_100011215259_100000211926 [0,0,0,0,0,0|2,0,1]=3 494 B11R0.3 CCCCCOCCOCCO 7a_100000210253_100011215305 [0,0,0,0,0,0|2,0,1]=3 495 B11R0.3 CCCCCOCCOCCO 7a_100011215259_100000211926 [0,0,0,0,0,0|2,0,1]=3 496 B11R0.3 CCCCCOCCSCCC 34a_200000230433_100000718602 [0,0,0,0,0,0|3,0,1]=4 497 B11R0.3 CCCCCOCCSCCC 7a_200000230433_100000210326 [0,0,0,0,0,0|3,0,1]=4 498 B11R0.3 CCCCCSCCCCCF 62a_100000210326_100000729378 [0,0,0,0,0,0|2,0,2]=4 499 B11R0.3 CCCCCSCCCCCF 62a_100000729378_100000210326 [0,0,0,0,0,0|2,0,2]=4 500 B11R0.3 CCCCCSCCCCCO 62a_100000210326_100000746330 [0,0,0,0,0,0|1,0,2]=3 501 B11R0.3 CCCCCSCCCCCO 62a_100000746330_100000210326 [0,0,0,0,0,0|1,0,2]=3 502 B11R0.3 CCCCCSCCCOCC 62a_100000210326_100012232248 [0,0,0,0,0,0|3,0,1]=4 503 B11R0.3 CCCCCSCCCOCC 62a_100012232248_100000210326 [0,0,0,0,0,0|3,0,1]=4 504 B11R0.3 CCCCCSCCOCCC 62a_100000210326_100011215938 [0,0,0,0,0,0|3,0,1]=4 505 B11R0.3 CCCCCSCCOCCC 62a_100011215938_100000210326 [0,0,0,0,0,0|3,0,1]=4 506 B11R0.3 CCCCCSCCOCCO 62a_100000210326_100011215305 [0,0,0,0,0,0|2,0,1]=3 507 B11R0.3 CCCCCSCCOCCO 62a_100011215305_100000210326 [0,0,0,0,0,0|2,0,1]=3 508 B11R0.3 CCCCNCCCCCCF 2230a_100000102301_100015922095 [0,0,0,0,0,0|2,0,2]=4 509 B11R0.3 CCCCNCCCCCCF 7a_106832991798_100015922095 [0,0,0,0,0,0|2,0,2]=4 510 B11R0.3 CCCCNCCCCCCO 2230a_100000102301_100000766143 [0,0,0,0,0,0|1,0,2]=3 511 B11R0.3 CCCCNCCCCCCO 2230a_100000686447_100000210211 [0,0,0,0,0,0|1,0,2]=3 512 B11R0.3 CCCCNCCCCCCO 34a_100000686447_100000210210 [0,0,0,0,0,0|1,0,2]=3 513 B11R0.3 CCCCNCCCCCCO 7a_106832991798_100000766143 [0,0,0,0,0,0|1,0,2]=3 514 B11R0.3 CCCCNCCCCOCC 34a_200011216965_100000210202 [0,0,0,0,0,0|3,0,1]=4 515 B11R0.3 CCCCNCCCCOCF 34a_200011216965_100015361967 [0,0,0,0,0,0|3,0,1]=4 516 B11R0.3 CCCCNCCCOCCC 2230a_100011217757_100000210211 [0,0,0,0,0,0|3,0,1]=4 517 B11R0.3 CCCCNCCCOCCC 34a_100011217757_100000210210 [0,0,0,0,0,0|3,0,1]=4 518 B11R0.3 CCCCOCCCCCCBr 34a_100011215345_100000210210 [0,0,0,0,0,0|2,0,2]=4 519 B11R0.3 CCCCOCCCCCCBr 7a_100011215345_100000210211 [0,0,0,0,0,0|2,0,2]=4 520 B11R0.3 CCCCOCCCCCCCl 34a_100000766143_100000210210 [0,0,0,0,0,0|2,0,2]=4 521 B11R0.3 CCCCOCCCCCCCl 7a_100000766143_100000210211 [0,0,0,0,0,0|2,0,2]=4 522 B11R0.3 CCCCOCCCCCCF 34a_100000210227_100015922095 [0,0,0,0,0,0|2,0,2]=4 523 B11R0.3 CCCCOCCCCCCF 34a_100000732779_100000210210 [0,0,0,0,0,0|2,0,2]=4 524 B11R0.3 CCCCOCCCCCCF 7a_100000210227_100015922095 [0,0,0,0,0,0|2,0,2]=4 525 B11R0.3 CCCCOCCCCCCF 7a_100000732779_100000210211 [0,0,0,0,0,0|2,0,2]=4 526 B11R0.3 CCCCOCCCCCCN 34a_100000686447_100000210210 [0,0,0,0,0,0|2,0,2]=4 527 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [0,0,0,0,0,0|1,0,2]=3 528 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [0,0,0,0,0,0|1,0,2]=3 529 B11R0.3 CCCCOCCCCOCC 34a_200000760531_100000210202 [0,0,0,0,0,0|3,0,1]=4 530 B11R0.3 CCCCOCCCCOCC 7a_200000760531_100000210202 [0,0,0,0,0,0|3,0,1]=4 531 B11R0.3 CCCCOCCCCOCF 34a_200000760531_100015361967 [0,0,0,0,0,0|3,0,1]=4 532 B11R0.3 CCCCOCCCCOCF 7a_200000760531_100015361967 [0,0,0,0,0,0|3,0,1]=4 533 B11R0.3 CCCCOCCCNCCC 2230a_200000211371_100000210303 [0,0,0,0,0,0|3,0,1]=4 534 B11R0.3 CCCCOCCCNCCC 34a_200000211371_100000210303 [0,0,0,0,0,0|3,0,1]=4 535 B11R0.3 CCCCOCCCNCCF 2230a_200000211371_100011217306 [0,0,0,0,0,0|3,0,1]=4 536 B11R0.3 CCCCOCCCNCCF 34a_200000211371_100011217306 [0,0,0,0,0,0|3,0,1]=4 537 B11R0.3 CCCCOCCCNCCO 2230a_200000211371_100000211926 [0,0,0,0,0,0|2,0,1]=3 538 B11R0.3 CCCCOCCCNCCO 34a_200000211371_100000211926 [0,0,0,0,0,0|2,0,1]=3 539 B11R0.3 CCCCOCCCOCCC 34a_200011215613_100000210303 [0,0,0,0,0,0|3,0,1]=4 540 B11R0.3 CCCCOCCCOCCC 7a_200011215613_100000210303 [0,0,0,0,0,0|3,0,1]=4 541 B11R0.3 CCCCOCCCOCCF 34a_200011215613_100011217306 [0,0,0,0,0,0|3,0,1]=4 542 B11R0.3 CCCCOCCCOCCF 7a_200011215613_100011217306 [0,0,0,0,0,0|3,0,1]=4 543 B11R0.3 CCCCOCCCOCCO 34a_200011215613_100000211926 [0,0,0,0,0,0|2,0,1]=3 544 B11R0.3 CCCCOCCCOCCO 7a_200011215613_100000211926 [0,0,0,0,0,0|2,0,1]=3 545 B11R0.3 CCCCOCCOCCCO 34a_100000210238_100000230001 [0,0,0,0,0,0|2,0,2]=4 546 B11R0.3 CCCCOCCOCCCO 7a_100000210238_100011215043 [0,0,0,0,0,0|2,0,2]=4 547 B11R0.3 CCCCOCCSCCCO 62a_100000743108_100011215043 [0,0,0,0,0,0|2,0,2]=4 548 B11R0.3 CCCCOCCSCCCO 62a_100011215043_100000743108 [0,0,0,0,0,0|2,0,2]=4 549 B11R0.3 CCCCOCNCCCCO 2230a_100000750430_100011995733 [0,0,0,0,0,0|2,0,2]=4 550 B11R0.3 CCCCOCNCCCCO 34a_100000750430_100011995733 [0,0,0,0,0,0|2,0,2]=4 551 B11R0.3 CCCCOCSCC#CCO 62a_100011995733_200000047223 [0,0,0,0,0,0|2,0,2]=4 552 B11R0.3 CCCCOCSCC#CCO 62a_200000047223_100011995733 [0,0,0,0,0,0|2,0,2]=4 553 B11R0.3 CCCCOCSCCCCO 62a_100000210776_100011995733 [0,0,0,0,0,0|2,0,2]=4 554 B11R0.3 CCCCOCSCCCCO 62a_100011995733_100000210776 [0,0,0,0,0,0|2,0,2]=4 555 B11R0.3 CCCCSCCCCCCF 62a_100000210211_100015922095 [0,0,0,0,0,0|2,0,2]=4 556 B11R0.3 CCCCSCCCCCCF 62a_100015922095_100000210210 [0,0,0,0,0,0|2,0,2]=4 557 B11R0.3 CCCCSCCCCCCO 62a_100000210211_100000766143 [0,0,0,0,0,0|1,0,2]=3 558 B11R0.3 CCCCSCCCCCCO 62a_100000766143_100000210210 [0,0,0,0,0,0|1,0,2]=3 559 B11R0.3 CCCCSCCNCCCO 2230a_100025743550_100000230001 [0,0,0,0,0,0|2,0,2]=4 560 B11R0.3 CCCCSCCOCCCO 34a_200000230436_100000230001 [0,0,0,0,0,0|2,0,2]=4 561 B11R0.3 CCCCSCCOCCCO 7a_200000230436_100011215043 [0,0,0,0,0,0|2,0,2]=4 562 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [0,0,0,0,0,0|1,0,2]=3 563 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [0,0,0,0,0,0|1,0,2]=3 564 B11R0.3 CCCNCCCOCCCO 2230a_100011310245_100000210303 [0,0,0,0,0,0|2,0,2]=4 565 B11R0.3 CCCNCCCOCCCO 34a_100011310245_100000210303 [0,0,0,0,0,0|2,0,2]=4 566 B11R0.3 CCCOCCCCCCCBr 34a_100000760002_100000210303 [0,0,0,0,0,0|2,0,2]=4 567 B11R0.3 CCCOCCCCCCCBr 7a_100000760002_100000210303 [0,0,0,0,0,0|2,0,2]=4 568 B11R0.3 CCCOCCCCCCCN 34a_100011996573_100000210303 [0,0,0,0,0,0|2,0,2]=4 569 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [0,0,0,0,0,0|1,0,2]=3 570 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [0,0,0,0,0,0|3,0,1]=4 571 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [0,0,0,0,0,0|3,0,1]=4 572 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [0,0,0,0,0,0|3,0,1]=4 573 B11R0.3 CCCOCCCNCCCO 2230a_100011217757_100000230001 [0,0,0,0,0,0|2,0,2]=4 574 B11R0.3 CCCOCCCNCCCO 34a_100011217757_100000230001 [0,0,0,0,0,0|2,0,2]=4 575 B11R0.3 CCCOCCNCC#CCO 2230a_100161115042_200000047223 [0,0,0,0,0,0|2,0,2]=4 576 B11R0.3 CCCOCCNCC#CCO 34a_100161115042_200000047223 [0,0,0,0,0,0|2,0,2]=4 577 B11R0.3 CCCOCCNCCCCO 2230a_100000750430_100011215938 [0,0,0,0,0,0|2,0,2]=4 578 B11R0.3 CCCOCCNCCCCO 2230a_100161115042_100000210776 [0,0,0,0,0,0|2,0,2]=4 579 B11R0.3 CCCOCCNCCCCO 34a_100000750430_100011215938 [0,0,0,0,0,0|2,0,2]=4 580 B11R0.3 CCCOCCNCCCCO 34a_100161115042_100011216708 [0,0,0,0,0,0|2,0,2]=4 581 B11R0.3 CCCOCCOCC#CCO 34a_100000752267_200000047223 [0,0,0,0,0,0|2,0,2]=4 582 B11R0.3 CCCOCCOCC#CCO 7a_100000752267_200000047223 [0,0,0,0,0,0|2,0,2]=4 583 B11R0.3 CCCOCCOCCCCO 34a_100000752267_100011216708 [0,0,0,0,0,0|2,0,2]=4 584 B11R0.3 CCCOCCOCCCCO 7a_100000752267_100000210776 [0,0,0,0,0,0|2,0,2]=4 585 B11R0.3 CCCOCCSCC#CCO 62a_100011215938_200000047223 [0,0,0,0,0,0|2,0,2]=4 586 B11R0.3 CCCOCCSCC#CCO 62a_200000047223_100011215938 [0,0,0,0,0,0|2,0,2]=4 587 B11R0.3 CCCOCCSCCCCO 62a_100000210776_100011215938 [0,0,0,0,0,0|2,0,2]=4 588 B11R0.3 CCCOCCSCCCCO 62a_100011215938_100000210776 [0,0,0,0,0,0|2,0,2]=4 589 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [0,0,0,0,0,0|1,0,2]=3 590 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [0,0,0,0,0,0|1,0,2]=3 591 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [0,0,0,0,0,0|3,0,1]=4 592 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [0,0,0,0,0,0|3,0,1]=4 593 B11R0.3 CCCSCCNCC#CCO 2230a_100020603323_200000047223 [0,0,0,0,0,0|2,0,2]=4 594 B11R0.3 CCCSCCNCCCCO 2230a_100020603323_100000210776 [0,0,0,0,0,0|2,0,2]=4 595 B11R0.3 CCCSCCOCC#CCO 34a_200000230433_200000047223 [0,0,0,0,0,0|2,0,2]=4 596 B11R0.3 CCCSCCOCC#CCO 7a_200000230433_200000047223 [0,0,0,0,0,0|2,0,2]=4 597 B11R0.3 CCCSCCOCCCCO 34a_200000230433_100011216708 [0,0,0,0,0,0|2,0,2]=4 598 B11R0.3 CCCSCCOCCCCO 7a_200000230433_100000210776 [0,0,0,0,0,0|2,0,2]=4 599 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [0,0,0,0,0,0|1,0,2]=3 600 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [0,0,0,0,0,0|1,0,2]=3 601 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [0,0,0,0,0,0|1,0,2]=3 602 B11R0.3 CCNCCOCCOCCO 2230a_100011998139_100000210202 [0,0,0,0,0,0|3,0,1]=4 603 B11R0.3 CCNCCOCCOCCO 2230a_100015525214_100000032323 [0,0,0,0,0,0|3,0,1]=4 604 B11R0.3 CCNCCOCCOCCO 34a_100011998139_100000210202 [0,0,0,0,0,0|3,0,1]=4 605 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [0,0,0,0,0,0|2,0,2]=4 606 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [0,0,0,0,0,0|2,0,2]=4 607 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [0,0,0,0,0,0|2,0,2]=4 608 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [0,0,0,0,0,0|2,0,2]=4 609 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [0,0,0,0,0,0|2,0,2]=4 610 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [0,0,0,0,0,0|1,0,2]=3 611 B11R0.3 CCOCCCCCNCCN 34a_103619048469_100000210202 [0,0,0,0,0,0|3,0,1]=4 612 B11R0.3 CCOCCCNCC#CCO 2230a_100000210961_200000047223 [0,0,0,0,0,0|2,0,2]=4 613 B11R0.3 CCOCCCNCC#CCO 34a_100000210961_200000047223 [0,0,0,0,0,0|2,0,2]=4 614 B11R0.3 CCOCCCNCCCCO 2230a_100000210961_100000210776 [0,0,0,0,0,0|2,0,2]=4 615 B11R0.3 CCOCCCNCCCCO 2230a_100000750430_100012232248 [0,0,0,0,0,0|2,0,2]=4 616 B11R0.3 CCOCCCNCCCCO 34a_100000210961_100011216708 [0,0,0,0,0,0|2,0,2]=4 617 B11R0.3 CCOCCCNCCCCO 34a_100000750430_100012232248 [0,0,0,0,0,0|2,0,2]=4 618 B11R0.3 CCOCCCOCC#CCO 34a_100000757476_200000047223 [0,0,0,0,0,0|2,0,2]=4 619 B11R0.3 CCOCCCOCC#CCO 7a_100000757476_200000047223 [0,0,0,0,0,0|2,0,2]=4 620 B11R0.3 CCOCCCOCCCCO 34a_100000757476_100011216708 [0,0,0,0,0,0|2,0,2]=4 621 B11R0.3 CCOCCCOCCCCO 7a_100000757476_100000210776 [0,0,0,0,0,0|2,0,2]=4 622 B11R0.3 CCOCCCSCC#CCO 62a_100012232248_200000047223 [0,0,0,0,0,0|2,0,2]=4 623 B11R0.3 CCOCCCSCC#CCO 62a_200000047223_100012232248 [0,0,0,0,0,0|2,0,2]=4 624 B11R0.3 CCOCCCSCCCCO 62a_100000210776_100012232248 [0,0,0,0,0,0|2,0,2]=4 625 B11R0.3 CCOCCCSCCCCO 62a_100012232248_100000210776 [0,0,0,0,0,0|2,0,2]=4 626 B11R0.3 CCOCCNCCCCCO 2230a_100000762737_100011215890 [0,0,0,0,0,0|2,0,2]=4 627 B11R0.3 CCOCCNCCCCCO 2230a_102516460346_100000746330 [0,0,0,0,0,0|2,0,2]=4 628 B11R0.3 CCOCCNCCCCCO 34a_100000762737_100000210147 [0,0,0,0,0,0|2,0,2]=4 629 B11R0.3 CCOCCNCCCCCO 34a_102516460346_100000746330 [0,0,0,0,0,0|2,0,2]=4 630 B11R0.3 CCOCCNCCOCCO 2230a_100000211614_100011215890 [0,0,0,0,0,0|3,0,1]=4 631 B11R0.3 CCOCCNCCOCCO 2230a_102516460346_100011215305 [0,0,0,0,0,0|3,0,1]=4 632 B11R0.3 CCOCCNCCOCCO 34a_100000211614_100000210147 [0,0,0,0,0,0|3,0,1]=4 633 B11R0.3 CCOCCNCCOCCO 34a_102516460346_100000692535 [0,0,0,0,0,0|3,0,1]=4 634 B11R0.3 CCOCCNCCSCCO 2230a_100011219999_100011215890 [0,0,0,0,0,0|3,0,1]=4 635 B11R0.3 CCOCCOCCCCCO 34a_100000210136_100000746330 [0,0,0,0,0,0|2,0,2]=4 636 B11R0.3 CCOCCOCCCCCO 7a_100000210136_100000746330 [0,0,0,0,0,0|2,0,2]=4 637 B11R0.3 CCOCCOCCNCCO 2230a_100016997473_100011211534 [0,0,0,0,0,0|3,0,1]=4 638 B11R0.3 CCOCCOCCNCCO 2230a_100102712874_100000211926 [0,0,0,0,0,0|3,0,1]=4 639 B11R0.3 CCOCCOCCNCCO 34a_100016990907_100011211534 [0,0,0,0,0,0|3,0,1]=4 640 B11R0.3 CCOCCOCCNCCO 34a_100102712874_100000211926 [0,0,0,0,0,0|3,0,1]=4 641 B11R0.3 CCOCCOCCOCCO 34a_100000210136_100000692535 [0,0,0,0,0,0|3,0,1]=4 642 B11R0.3 CCOCCOCCOCCO 34a_100000210240_100000211926 [0,0,0,0,0,0|3,0,1]=4 643 B11R0.3 CCOCCOCCOCCO 34a_100121572206_100000032323 [0,0,0,0,0,0|3,0,1]=4 644 B11R0.3 CCOCCOCCOCCO 7a_100000210136_100011215305 [0,0,0,0,0,0|3,0,1]=4 645 B11R0.3 CCOCCOCCOCCO 7a_100000210240_100000211926 [0,0,0,0,0,0|3,0,1]=4 646 B11R0.3 CCOCCOCCSCCO 62a_100000211926_100011211534 [0,0,0,0,0,0|3,0,1]=4 647 B11R0.3 CCOCCOCCSCCO 62a_100011211534_100000211926 [0,0,0,0,0,0|3,0,1]=4 648 B11R0.3 CCOCCSCCCCCO 62a_100000210147_100000746330 [0,0,0,0,0,0|2,0,2]=4 649 B11R0.3 CCOCCSCCCCCO 62a_100000746330_100011215890 [0,0,0,0,0,0|2,0,2]=4 650 B11R0.3 CCOCCSCCOCCO 62a_100000210147_100011215305 [0,0,0,0,0,0|3,0,1]=4 651 B11R0.3 CCOCCSCCOCCO 62a_100011215305_100011215890 [0,0,0,0,0,0|3,0,1]=4 652 B11R0.3 CCOCSCCCCCCO 62a_100000739092_100000766143 [0,0,0,0,0,0|2,0,2]=4 653 B11R0.3 CCOCSCCCCCCO 62a_100000766143_100000739092 [0,0,0,0,0,0|2,0,2]=4 654 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [0,0,0,0,0,0|1,0,2]=3 655 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [0,0,0,0,0,0|1,0,2]=3 656 B11R0.3 CCSCCCOCC#CCO 34a_100011216438_200000047223 [0,0,0,0,0,0|2,0,2]=4 657 B11R0.3 CCSCCCOCC#CCO 7a_100011216438_200000047223 [0,0,0,0,0,0|2,0,2]=4 658 B11R0.3 CCSCCCOCCCCO 34a_100011216438_100011216708 [0,0,0,0,0,0|2,0,2]=4 659 B11R0.3 CCSCCCOCCCCO 7a_100011216438_100000210776 [0,0,0,0,0,0|2,0,2]=4 660 B11R0.3 CCSCCNCCCCCO 2230a_100000106463_100000746330 [0,0,0,0,0,0|2,0,2]=4 661 B11R0.3 CCSCCNCCCCCO 2230a_100000762737_100000757381 [0,0,0,0,0,0|2,0,2]=4 662 B11R0.3 CCSCCNCCCCCO 34a_100000762737_100000757381 [0,0,0,0,0,0|2,0,2]=4 663 B11R0.3 CCSCCNCCOCCO 2230a_100000106463_100011215305 [0,0,0,0,0,0|3,0,1]=4 664 B11R0.3 CCSCCNCCOCCO 2230a_100000211614_100000757381 [0,0,0,0,0,0|3,0,1]=4 665 B11R0.3 CCSCCNCCOCCO 34a_100000211614_100000757381 [0,0,0,0,0,0|3,0,1]=4 666 B11R0.3 CCSCCNCCSCCO 2230a_100011219999_100000757381 [0,0,0,0,0,0|3,0,1]=4 667 B11R0.3 CCSCCOCCCCCO 34a_100000212035_100000746330 [0,0,0,0,0,0|2,0,2]=4 668 B11R0.3 CCSCCOCCCCCO 7a_100000212035_100000746330 [0,0,0,0,0,0|2,0,2]=4 669 B11R0.3 CCSCCOCCOCCO 34a_100000212035_100000692535 [0,0,0,0,0,0|3,0,1]=4 670 B11R0.3 CCSCCOCCOCCO 62a_100000032323_100000210202 [0,0,0,0,0,0|3,0,1]=4 671 B11R0.3 CCSCCOCCOCCO 62a_100000210202_100000032323 [0,0,0,0,0,0|3,0,1]=4 672 B11R0.3 CCSCCOCCOCCO 7a_100000212035_100011215305 [0,0,0,0,0,0|3,0,1]=4 673 B11R0.3 CCSCCSCCCCCO 62a_100000746330_100000757381 [0,0,0,0,0,0|2,0,2]=4 674 B11R0.3 CCSCCSCCCCCO 62a_100000757381_100000746330 [0,0,0,0,0,0|2,0,2]=4 675 B11R0.3 CCSCCSCCOCCO 62a_100000757381_100011215305 [0,0,0,0,0,0|3,0,1]=4 676 B11R0.3 CCSCCSCCOCCO 62a_100011215305_100000757381 [0,0,0,0,0,0|3,0,1]=4 677 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [0,0,0,0,0,0|1,0,2]=3 678 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [0,0,0,0,0,0|1,0,2]=3 679 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [0,0,0,0,0,0|1,0,2]=3 680 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [0,0,0,0,0,0|1,0,2]=3 681 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [0,0,0,0,0,0|1,0,2]=3 682 B11R0.3 CNCCCCCOCCCO 34a_100000722520_100000230001 [0,0,0,0,0,0|2,0,2]=4 683 B11R0.3 CNCCCOCCCCCO 34a_100000213112_100000746330 [0,0,0,0,0,0|2,0,2]=4 684 B11R0.3 CNCCCOCCOCCO 2230a_100011996194_200000210301 [0,0,0,0,0,0|3,0,1]=4 685 B11R0.3 CNCCCOCCOCCO 34a_100000213112_100000692535 [0,0,0,0,0,0|3,0,1]=4 686 B11R0.3 CNCCCOCCOCCO 34a_100011996194_200000210301 [0,0,0,0,0,0|3,0,1]=4 687 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [0,0,0,0,0,0|2,0,2]=4 688 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [0,0,0,0,0,0|2,0,2]=4 689 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [0,0,0,0,0,0|2,0,2]=4 690 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [0,0,0,0,0,0|2,0,2]=4 691 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [0,0,0,0,0,0|2,0,2]=4 692 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [0,0,0,0,0,0|1,0,2]=3 693 B11R0.3 COCCCCCCNCCF 34a_100000724931_100011998445 [0,0,0,0,0,0|3,0,1]=4 694 B11R0.3 COCCCCCCNCCO 2230a_100016997473_100011998445 [0,0,0,0,0,0|2,0,1]=3 695 B11R0.3 COCCCCCCNCCO 34a_100016990907_100011998445 [0,0,0,0,0,0|2,0,1]=3 696 B11R0.3 COCCCCCCOCCBr 34a_100000211926_100011998445 [0,0,0,0,0,0|3,0,1]=4 697 B11R0.3 COCCCCCCOCCF 34a_200012092642_100011217306 [0,0,0,0,0,0|3,0,1]=4 698 B11R0.3 COCCCCCCOCCF 7a_200012092642_100011217306 [0,0,0,0,0,0|3,0,1]=4 699 B11R0.3 COCCCCCCOCCN 34a_100000210304_100011998445 [0,0,0,0,0,0|3,0,1]=4 700 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [0,0,0,0,0,0|2,0,1]=3 701 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [0,0,0,0,0,0|2,0,1]=3 702 B11R0.3 COCCCCCCSCCF 62a_100011217306_100011998445 [0,0,0,0,0,0|3,0,1]=4 703 B11R0.3 COCCCCCCSCCF 62a_100011998445_100011217306 [0,0,0,0,0,0|3,0,1]=4 704 B11R0.3 COCCCCCCSCCO 62a_100000211926_100011998445 [0,0,0,0,0,0|2,0,1]=3 705 B11R0.3 COCCCCCCSCCO 62a_100011998445_100000211926 [0,0,0,0,0,0|2,0,1]=3 706 B11R0.3 COCCCCCNCCCO 2230a_100000747528_100000230001 [0,0,0,0,0,0|2,0,2]=4 707 B11R0.3 COCCCCCNCCCO 34a_100000747528_100000230001 [0,0,0,0,0,0|2,0,2]=4 708 B11R0.3 COCCCCNCCCCO 2230a_100000750430_100000730899 [0,0,0,0,0,0|2,0,2]=4 709 B11R0.3 COCCCCNCCCCO 34a_100000750430_100000755781 [0,0,0,0,0,0|2,0,2]=4 710 B11R0.3 COCCCCOCC#CCO 34a_100000740925_200000047223 [0,0,0,0,0,0|2,0,2]=4 711 B11R0.3 COCCCCOCCCCO 34a_100000740925_100011216708 [0,0,0,0,0,0|2,0,2]=4 712 B11R0.3 COCCCCSCC#CCO 62a_100000730899_200000047223 [0,0,0,0,0,0|2,0,2]=4 713 B11R0.3 COCCCCSCC#CCO 62a_200000047223_100000730899 [0,0,0,0,0,0|2,0,2]=4 714 B11R0.3 COCCCCSCCCCO 62a_100000210776_100000730899 [0,0,0,0,0,0|2,0,2]=4 715 B11R0.3 COCCCCSCCCCO 62a_100000730899_100000210776 [0,0,0,0,0,0|2,0,2]=4 716 B11R0.3 COCCCNCCCCCO 2230a_100000762737_100000740836 [0,0,0,0,0,0|2,0,2]=4 717 B11R0.3 COCCCNCCCCCO 34a_100000762737_100000740836 [0,0,0,0,0,0|2,0,2]=4 718 B11R0.3 COCCCNCCCCCO 34a_100150723488_100000746330 [0,0,0,0,0,0|2,0,2]=4 719 B11R0.3 COCCCNCCOCCO 2230a_100000211614_100000740836 [0,0,0,0,0,0|3,0,1]=4 720 B11R0.3 COCCCNCCOCCO 34a_100000211614_100000740836 [0,0,0,0,0,0|3,0,1]=4 721 B11R0.3 COCCCNCCOCCO 34a_100150723488_100000692535 [0,0,0,0,0,0|3,0,1]=4 722 B11R0.3 COCCCNCCSCCO 2230a_100011219999_100000740836 [0,0,0,0,0,0|3,0,1]=4 723 B11R0.3 COCCCOCCCCCO 34a_100000740835_100000746330 [0,0,0,0,0,0|2,0,2]=4 724 B11R0.3 COCCCOCCOCCO 34a_100000740835_100000692535 [0,0,0,0,0,0|3,0,1]=4 725 B11R0.3 COCCCSCCCCCO 62a_100000709357_100000746330 [0,0,0,0,0,0|2,0,2]=4 726 B11R0.3 COCCCSCCCCCO 62a_100000746330_100000709357 [0,0,0,0,0,0|2,0,2]=4 727 B11R0.3 COCCCSCCOCCO 62a_100000709357_100011215305 [0,0,0,0,0,0|3,0,1]=4 728 B11R0.3 COCCCSCCOCCO 62a_100011215305_100000709357 [0,0,0,0,0,0|3,0,1]=4 729 B11R0.3 COCCNCCCCCCO 2230a_100000209980_100000766143 [0,0,0,0,0,0|2,0,2]=4 730 B11R0.3 COCCNCCCCCCO 2230a_100000686447_100011201679 [0,0,0,0,0,0|2,0,2]=4 731 B11R0.3 COCCNCCCCCCO 34a_100000686447_100011201679 [0,0,0,0,0,0|2,0,2]=4 732 B11R0.3 COCCOCCCCCCO 34a_100000210237_100000766143 [0,0,0,0,0,0|2,0,2]=4 733 B11R0.3 COCCOCCCNCCO 2230a_100000206027_100000211926 [0,0,0,0,0,0|3,0,1]=4 734 B11R0.3 COCCOCCCNCCO 2230a_100016997473_100011216529 [0,0,0,0,0,0|3,0,1]=4 735 B11R0.3 COCCOCCCNCCO 34a_100000206027_100000211926 [0,0,0,0,0,0|3,0,1]=4 736 B11R0.3 COCCOCCCNCCO 34a_100016990907_100011216529 [0,0,0,0,0,0|3,0,1]=4 737 B11R0.3 COCCOCCCSCCO 62a_100000211926_100011216529 [0,0,0,0,0,0|3,0,1]=4 738 B11R0.3 COCCOCCCSCCO 62a_100011216529_100000211926 [0,0,0,0,0,0|3,0,1]=4 739 B11R0.3 COCCSCCCCCCO 62a_100000233755_100000766143 [0,0,0,0,0,0|2,0,2]=4 740 B11R0.3 COCCSCCCCCCO 62a_100000766143_100000233755 [0,0,0,0,0,0|2,0,2]=4 741 B11R0.3 COCNCCCCCCCO 2230a_100011996573_100000766300 [0,0,0,0,0,0|2,0,2]=4 742 B11R0.3 COCSCCCCCCCO 62a_100000760002_100000766300 [0,0,0,0,0,0|2,0,2]=4 743 B11R0.3 COCSCCCCCCCO 62a_100000766300_100000760002 [0,0,0,0,0,0|2,0,2]=4 744 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [0,0,0,0,0,0|1,0,2]=3 745 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [0,0,0,0,0,0|1,0,2]=3 746 B11R0.3 CSCCCCOCC#CCO 34a_100011217163_200000047223 [0,0,0,0,0,0|2,0,2]=4 747 B11R0.3 CSCCCCOCC#CCO 7a_100011217163_200000047223 [0,0,0,0,0,0|2,0,2]=4 748 B11R0.3 CSCCCCOCCCCO 34a_100011217163_100011216708 [0,0,0,0,0,0|2,0,2]=4 749 B11R0.3 CSCCCCOCCCCO 7a_100011217163_100000210776 [0,0,0,0,0,0|2,0,2]=4 750 B11R0.3 CSCCCNCCCCCO 2230a_100000749238_100000746330 [0,0,0,0,0,0|2,0,2]=4 751 B11R0.3 CSCCCNCCOCCO 2230a_100000749238_100011215305 [0,0,0,0,0,0|3,0,1]=4 752 B11R0.3 CSCCCOCCCCCO 34a_100000690336_100000746330 [0,0,0,0,0,0|2,0,2]=4 753 B11R0.3 CSCCCOCCCCCO 7a_100000690336_100000746330 [0,0,0,0,0,0|2,0,2]=4 754 B11R0.3 CSCCCOCCOCCO 34a_100000690336_100000692535 [0,0,0,0,0,0|3,0,1]=4 755 B11R0.3 CSCCCOCCOCCO 7a_100000690336_100011215305 [0,0,0,0,0,0|3,0,1]=4 756 B11R0.3 CSCCNCCCCCCO 2230a_100000686447_100000751147 [0,0,0,0,0,0|2,0,2]=4 757 B11R0.3 CSCCNCCCCCCO 2230a_100020590264_100000766143 [0,0,0,0,0,0|2,0,2]=4 758 B11R0.3 CSCCNCCCCCCO 34a_100000686447_100000212216 [0,0,0,0,0,0|2,0,2]=4 759 B11R0.3 CSCCOCCCCCCO 34a_100000230434_100000766143 [0,0,0,0,0,0|2,0,2]=4 760 B11R0.3 CSCCOCCCCCCO 7a_100000230434_100000766143 [0,0,0,0,0,0|2,0,2]=4 761 B11R0.3 CSCCSCCCCCCO 62a_100000212216_100000766143 [0,0,0,0,0,0|2,0,2]=4 762 B11R0.3 CSCCSCCCCCCO 62a_100000766143_100000751147 [0,0,0,0,0,0|2,0,2]=4 763 B11R0.3 CSCNCCCCCCCO 2230a_100011996573_100011218213 [0,0,0,0,0,0|2,0,2]=4 764 B11R0.3 CSCNCCCCCCCO 34a_100011996573_100011218213 [0,0,0,0,0,0|2,0,2]=4 765 B11R0.3 CSCSCCCCCCCO 62a_100000760002_100011218213 [0,0,0,0,0,0|2,0,2]=4 766 B11R0.3 CSCSCCCCCCCO 62a_100011218213_100000760002 [0,0,0,0,0,0|2,0,2]=4 767 B11R0.3 FCCOCCCCCCCBr 34a_100000760002_100011217306 [0,0,0,0,0,0|3,0,1]=4 768 B11R0.3 FCCOCCCCCCCBr 7a_100000760002_100011217306 [0,0,0,0,0,0|3,0,1]=4 769 B11R0.3 FCOCCCCCCCCBr 34a_100009813846_100015361967 [0,0,0,0,0,0|3,0,1]=4 770 B11R0.3 FCOCCCCCCCCBr 7a_100009813846_100015361967 [0,0,0,0,0,0|3,0,1]=4 771 B11R0.3 FCOCCCCCCCCCl 34a_100000033203_100015361967 [0,0,0,0,0,0|3,0,1]=4 772 B11R0.3 FCOCCCCCCCCCl 7a_100000033203_100015361967 [0,0,0,0,0,0|3,0,1]=4 773 B11R0.3 N#CCCCCCCNCCO 2230a_100016997473_100009813337 [0,0,0,0,0,0|2,0,2]=4 774 B11R0.3 N#CCCCCCCSCCO 62a_100000211926_100009813337 [0,0,0,0,0,0|2,0,2]=4 775 B11R0.3 N#CCCCCCCSCCO 62a_100009813337_100000211926 [0,0,0,0,0,0|2,0,2]=4 776 B11R0.3 NCCCCCCCCOCF 34a_102515433106_100015361967 [0,0,0,0,0,0|3,0,1]=4 777 B11R0.3 NCCCCCCCOCCF 34a_100011996573_100011217306 [0,0,0,0,0,0|3,0,1]=4 778 B11R0.3 NCCCCCCCOCCO 34a_100011996573_100000211926 [0,0,0,0,0,0|2,0,1]=3 779 B11R0.3 NCCCCCCOCCCO 34a_100000686447_100000230001 [0,0,0,0,0,0|2,0,2]=4 780 B11R0.3 NCCCCCOCC#CCO 34a_100000762737_200000047223 [0,0,0,0,0,0|2,0,2]=4 781 B11R0.3 NCCCCCOCCCCO 34a_100000762737_100011216708 [0,0,0,0,0,0|2,0,2]=4 782 B11R0.3 NCCCCOCCCCCO 34a_100000750430_100000746330 [0,0,0,0,0,0|2,0,2]=4 783 B11R0.3 NCCCCOCCOCCO 34a_100000750430_100000692535 [0,0,0,0,0,0|3,0,1]=4 784 B11R0.3 NCCCOCCCCCCO 34a_100000182051_100000766143 [0,0,0,0,0,0|2,0,2]=4 785 B11R0.3 NCCCOCCCOCCO 34a_100011310245_100000211926 [0,0,0,0,0,0|3,0,1]=4 786 B11R0.3 NCCOCCCCCCCO 34a_100000210304_100000760002 [0,0,0,0,0,0|2,0,2]=4 787 B11R0.3 OCC#CCNCCCCCO 2230a_100000762737_200000047223 [0,0,0,0,0,0|2,0,2]=4 788 B11R0.3 OCC#CCNCCCCCO 34a_100000762737_200000047223 [0,0,0,0,0,0|2,0,2]=4 789 B11R0.3 OCC#CCOCCCCCBr 34a_100000746331_200000047223 [0,0,0,0,0,0|2,0,2]=4 790 B11R0.3 OCC#CCOCCCCCBr 7a_100000746331_200000047223 [0,0,0,0,0,0|2,0,2]=4 791 B11R0.3 OCC#CCOCCCCCCl 34a_100000746330_200000047223 [0,0,0,0,0,0|2,0,2]=4 792 B11R0.3 OCC#CCOCCCCCCl 7a_100000746330_200000047223 [0,0,0,0,0,0|2,0,2]=4 793 B11R0.3 OCC#CCOCCCCCI 34a_200012148887_200000047223 [0,0,0,0,0,0|2,0,2]=4 794 B11R0.3 OCC#CCOCCCCCI 7a_200012148887_200000047223 [0,0,0,0,0,0|2,0,2]=4 795 B11R0.3 OCC#CCSCCCCCF 62a_100000729378_200000047223 [0,0,0,0,0,0|2,0,2]=4 796 B11R0.3 OCC#CCSCCCCCF 62a_200000047223_100000729378 [0,0,0,0,0,0|2,0,2]=4 797 B11R0.3 OCC#CCSCCCCCO 62a_100000746330_200000047223 [0,0,0,0,0,0|2,0,2]=4 798 B11R0.3 OCC#CCSCCCCCO 62a_200000047223_100000746330 [0,0,0,0,0,0|2,0,2]=4 799 B11R0.3 OCCCCCCCCNCF 34a_102515433106_100015361967 [0,0,0,0,0,0|2,0,2]=4 800 B11R0.3 OCCCCCCCCSCF 62a_100000033203_100015361967 [0,0,0,0,0,0|2,0,2]=4 801 B11R0.3 OCCCCCCCCSCF 62a_100015361967_100000033203 [0,0,0,0,0,0|2,0,2]=4 802 B11R0.3 OCCCCCCCNCCF 2230a_100011996573_100011217306 [0,0,0,0,0,0|2,0,2]=4 803 B11R0.3 OCCCCCCCNCCF 34a_100000724931_100000760002 [0,0,0,0,0,0|2,0,2]=4 804 B11R0.3 OCCCCCCCNCCF 34a_100011996573_100011217306 [0,0,0,0,0,0|2,0,2]=4 805 B11R0.3 OCCCCCCCNCCO 2230a_100011996573_100000211926 [0,0,0,0,0,0|2,0,1]=3 806 B11R0.3 OCCCCCCCNCCO 2230a_100016997473_100000760002 [0,0,0,0,0,0|2,0,1]=3 807 B11R0.3 OCCCCCCCNCCO 34a_100011996573_100000211926 [0,0,0,0,0,0|2,0,1]=3 808 B11R0.3 OCCCCCCCNCCO 34a_100016990907_100000760002 [0,0,0,0,0,0|2,0,1]=3 809 B11R0.3 OCCCCCCCOCCBr 34a_100000211926_100000760002 [0,0,0,0,0,0|2,0,2]=4 810 B11R0.3 OCCCCCCCSCCF 62a_100000760002_100011217306 [0,0,0,0,0,0|2,0,2]=4 811 B11R0.3 OCCCCCCCSCCF 62a_100011217306_100000760002 [0,0,0,0,0,0|2,0,2]=4 812 B11R0.3 OCCCCCCCSCCO 62a_100000211926_100000760002 [0,0,0,0,0,0|2,0,1]=3 813 B11R0.3 OCCCCCCCSCCO 62a_100000760002_100000211926 [0,0,0,0,0,0|2,0,1]=3 814 B11R0.3 OCCCCCCNCCCF 2230a_100000686447_100011934791 [0,0,0,0,0,0|2,0,2]=4 815 B11R0.3 OCCCCCCNCCCF 2230a_100015189416_100000766143 [0,0,0,0,0,0|2,0,2]=4 816 B11R0.3 OCCCCCCNCCCF 34a_100000686447_100011934791 [0,0,0,0,0,0|2,0,2]=4 817 B11R0.3 OCCCCCCNCCCF 34a_100015189416_100000766143 [0,0,0,0,0,0|2,0,2]=4 818 B11R0.3 OCCCCCCNCCCO 2230a_100000686447_100000230001 [0,0,0,0,0,0|2,0,2]=4 819 B11R0.3 OCCCCCCNCCCO 34a_100000686447_100000230001 [0,0,0,0,0,0|2,0,2]=4 820 B11R0.3 OCCCCCCOCCCBr 34a_100011217188_100000766143 [0,0,0,0,0,0|2,0,2]=4 821 B11R0.3 OCCCCCCOCCCCl 34a_100000230001_100000766143 [0,0,0,0,0,0|2,0,2]=4 822 B11R0.3 OCCCCCCOCCCF 34a_100000759539_100000766143 [0,0,0,0,0,0|2,0,2]=4 823 B11R0.3 OCCCCCCSCCCF 62a_100000766143_100011934791 [0,0,0,0,0,0|2,0,2]=4 824 B11R0.3 OCCCCCCSCCCF 62a_100011934791_100000766143 [0,0,0,0,0,0|2,0,2]=4 825 B11R0.3 OCCCCCCSCCCO 62a_100000766143_100011215043 [0,0,0,0,0,0|2,0,2]=4 826 B11R0.3 OCCCCCCSCCCO 62a_100011215043_100000766143 [0,0,0,0,0,0|2,0,2]=4 827 B11R0.3 OCCCCCNCCCCF 2230a_100000762737_100000729493 [0,0,0,0,0,0|2,0,2]=4 828 B11R0.3 OCCCCCNCCCCF 34a_100000762737_100000729493 [0,0,0,0,0,0|2,0,2]=4 829 B11R0.3 OCCCCCNCCCCO 2230a_100000750430_100000746330 [0,0,0,0,0,0|2,0,2]=4 830 B11R0.3 OCCCCCNCCCCO 2230a_100000762737_100000210776 [0,0,0,0,0,0|2,0,2]=4 831 B11R0.3 OCCCCCNCCCCO 34a_100000750430_100000746330 [0,0,0,0,0,0|2,0,2]=4 832 B11R0.3 OCCCCCNCCCCO 34a_100000762737_100011216708 [0,0,0,0,0,0|2,0,2]=4 833 B11R0.3 OCCCCCOCCCCBr 34a_100011216708_100000746330 [0,0,0,0,0,0|2,0,2]=4 834 B11R0.3 OCCCCCOCCCCCl 34a_100000210776_100000746330 [0,0,0,0,0,0|2,0,2]=4 835 B11R0.3 OCCCCCOCCCCCl 7a_100000210776_100000746330 [0,0,0,0,0,0|2,0,2]=4 836 B11R0.3 OCCCCCOCCCCF 34a_100011995726_100000746330 [0,0,0,0,0,0|2,0,2]=4 837 B11R0.3 OCCCCCOCCCCF 7a_100011995726_100000746330 [0,0,0,0,0,0|2,0,2]=4 838 B11R0.3 OCCCCCOCCCCI 34a_200012148704_100000746330 [0,0,0,0,0,0|2,0,2]=4 839 B11R0.3 OCCCCCSCCCCF 62a_100000729493_100000746330 [0,0,0,0,0,0|2,0,2]=4 840 B11R0.3 OCCCCCSCCCCF 62a_100000746330_100000729493 [0,0,0,0,0,0|2,0,2]=4 841 B11R0.3 OCCCCCSCCCCO 62a_100000210776_100000746330 [0,0,0,0,0,0|2,0,2]=4 842 B11R0.3 OCCCCCSCCCCO 62a_100000746330_100000210776 [0,0,0,0,0,0|2,0,2]=4 843 B11R0.3 OCCCCNCCCCCF 2230a_100000750430_100000729378 [0,0,0,0,0,0|2,0,2]=4 844 B11R0.3 OCCCCNCCCCCF 34a_100000750430_100000729378 [0,0,0,0,0,0|2,0,2]=4 845 B11R0.3 OCCCCNCCOCCO 2230a_100000211614_100000210776 [0,0,0,0,0,0|3,0,1]=4 846 B11R0.3 OCCCCNCCOCCO 2230a_100000750430_100011215305 [0,0,0,0,0,0|3,0,1]=4 847 B11R0.3 OCCCCNCCOCCO 34a_100000211614_100011216708 [0,0,0,0,0,0|3,0,1]=4 848 B11R0.3 OCCCCNCCOCCO 34a_100000750430_100000692535 [0,0,0,0,0,0|3,0,1]=4 849 B11R0.3 OCCCCNCCSCCO 2230a_100011219999_100000210776 [0,0,0,0,0,0|3,0,1]=4 850 B11R0.3 OCCCCOCCCCCBr 34a_100000746331_100011216708 [0,0,0,0,0,0|2,0,2]=4 851 B11R0.3 OCCCCOCCCCCBr 7a_100000746331_100000210776 [0,0,0,0,0,0|2,0,2]=4 852 B11R0.3 OCCCCOCCCCCCl 34a_100000746330_100011216708 [0,0,0,0,0,0|2,0,2]=4 853 B11R0.3 OCCCCOCCCCCCl 7a_100000746330_100000210776 [0,0,0,0,0,0|2,0,2]=4 854 B11R0.3 OCCCCOCCCCCI 34a_200012148887_100011216708 [0,0,0,0,0,0|2,0,2]=4 855 B11R0.3 OCCCCOCCCCCI 7a_200012148887_100000210776 [0,0,0,0,0,0|2,0,2]=4 856 B11R0.3 OCCCCSCCCCCF 62a_100000210776_100000729378 [0,0,0,0,0,0|2,0,2]=4 857 B11R0.3 OCCCCSCCCCCF 62a_100000729378_100000210776 [0,0,0,0,0,0|2,0,2]=4 858 B11R0.3 OCCCCSCCOCCO 62a_100000210776_100011215305 [0,0,0,0,0,0|3,0,1]=4 859 B11R0.3 OCCCCSCCOCCO 62a_100011215305_100000210776 [0,0,0,0,0,0|3,0,1]=4 860 B11R0.3 OCCCOCCCCCCBr 34a_100011215345_100000230001 [0,0,0,0,0,0|2,0,2]=4 861 B11R0.3 OCCCOCCCCCCBr 7a_100011215345_100011215043 [0,0,0,0,0,0|2,0,2]=4 862 B11R0.3 OCCCOCCCCCCCl 34a_100000766143_100000230001 [0,0,0,0,0,0|2,0,2]=4 863 B11R0.3 OCCCOCCCCCCCl 7a_100000766143_100011215043 [0,0,0,0,0,0|2,0,2]=4 864 B11R0.3 OCCCOCCCCCCF 34a_100000732779_100000230001 [0,0,0,0,0,0|2,0,2]=4 865 B11R0.3 OCCCOCCCCCCF 7a_100000732779_100011215043 [0,0,0,0,0,0|2,0,2]=4 866 B11R0.3 OCCCOCCCNCCO 2230a_100011310245_100000211926 [0,0,0,0,0,0|3,0,1]=4 867 B11R0.3 OCCCOCCCNCCO 34a_100011310245_100000211926 [0,0,0,0,0,0|3,0,1]=4 868 B11R0.3 OCCCSCCCCCCF 62a_100011215043_100015922095 [0,0,0,0,0,0|2,0,2]=4 869 B11R0.3 OCCCSCCCCCCF 62a_100015922095_100011215043 [0,0,0,0,0,0|2,0,2]=4 870 B11R0.3 OCCOCCCCCCCBr 34a_100000760002_100000211926 [0,0,0,0,0,0|2,0,1]=3 871 B11R0.3 OCCOCCCCCCCBr 7a_100000760002_100000211926 [0,0,0,0,0,0|2,0,1]=3 872 B11R0.3 OCCOCCNCCCCF 2230a_100000211614_100000729493 [0,0,0,0,0,0|3,0,1]=4 873 B11R0.3 OCCOCCNCCCCF 34a_100000211614_100000729493 [0,0,0,0,0,0|3,0,1]=4 874 B11R0.3 OCCOCCOCCCCBr 34a_100011216708_100000692535 [0,0,0,0,0,0|3,0,1]=4 875 B11R0.3 OCCOCCOCCCCCl 34a_100000210776_100000692535 [0,0,0,0,0,0|3,0,1]=4 876 B11R0.3 OCCOCCOCCCCCl 7a_100000210776_100011215305 [0,0,0,0,0,0|3,0,1]=4 877 B11R0.3 OCCOCCOCCCCF 34a_100011995726_100000692535 [0,0,0,0,0,0|3,0,1]=4 878 B11R0.3 OCCOCCOCCCCF 7a_100011995726_100011215305 [0,0,0,0,0,0|3,0,1]=4 879 B11R0.3 OCCOCCOCCCCI 34a_200012148704_100000692535 [0,0,0,0,0,0|3,0,1]=4 880 B11R0.3 OCCOCCSCCCCF 62a_100000729493_100011215305 [0,0,0,0,0,0|3,0,1]=4 881 B11R0.3 OCCOCCSCCCCF 62a_100011215305_100000729493 [0,0,0,0,0,0|3,0,1]=4 882 B11R0.3 OCCSCCNCCCCF 2230a_100011219999_100000729493 [0,0,0,0,0,0|3,0,1]=4 883 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [0,0,0,0,0,0|1,0,2]=3 884 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [0,0,0,0,0,0|1,0,2]=3 885 B11R0.3 [13CH3]NCCCOCCOCCO 2230a_100011996194_200025704644 [0,0,0,0,0,0|3,0,1]=4 886 B11R0.3 [13CH3]NCCCOCCOCCO 34a_100011996194_200025704644 [0,0,0,0,0,0|3,0,1]=4 887 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [0,0,0,0,0,0|2,0,2]=4 888 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [0,0,0,0,0,0|2,0,2]=4 889 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [0,0,0,0,0,0|2,0,2]=4 890 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [0,0,0,0,0,0|2,0,2]=4 891 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [0,0,0,0,0,0|2,0,2]=4 892 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [0,0,0,0,0,0|1,0,2]=3 893 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [0,0,0,0,0,0|1,0,2]=3 894 B10R0.71 C#CCCCCNC/C=C/C 34a_100000706060_100102629194 [1,0,0,0,0,0|1,0,2]=4 895 B10R0.71 C#CCCCCNCC=CC 2230a_100000706060_100000070051 [1,0,0,0,0,0|1,0,2]=4 896 B10R0.71 C#CCCCCNCC=CC 34a_100000706060_100000070051 [1,0,0,0,0,0|1,0,2]=4 897 B10R0.71 C#CCCCCOC/C=C/C 34a_100000766709_100102629194 [1,0,0,0,0,0|1,0,2]=4 898 B10R0.71 C#CCCCCOC/C=C/C 34a_100016270725_100010269958 [1,0,0,0,0,0|1,0,2]=4 899 B10R0.71 C#CCCCCOC/C=C/C 7a_100000766709_100102629194 [1,0,0,0,0,0|1,0,2]=4 900 B10R0.71 C#CCCCCOCC=CC 34a_100000766709_100000070051 [1,0,0,0,0,0|1,0,2]=4 901 B10R0.71 C#CCCCCOCC=CC 7a_100000766709_100000070051 [1,0,0,0,0,0|1,0,2]=4 902 B10R0.71 C#CCCCCSC/C=C/C 62a_100010269958_100102629194 [1,0,0,0,0,0|1,0,2]=4 903 B10R0.71 C#CCCCCSC/C=C/C 62a_100102629194_100010269958 [1,0,0,0,0,0|1,0,2]=4 904 B10R0.71 C#CCCCCSCC=CC 62a_100000070051_100010269958 [1,0,0,0,0,0|1,0,2]=4 905 B10R0.71 C#CCCCCSCC=CC 62a_100010269958_100000070051 [1,0,0,0,0,0|1,0,2]=4 906 B10R0.71 C#CCCCOCC/C=C/C 34a_100016278192_100000695029 [1,0,0,0,0,0|1,0,2]=4 907 B10R0.71 C#CCCOCCCC=CC 34a_100020645299_100000688953 [1,0,0,0,0,0|1,0,2]=4 908 B10R0.71 C/C=C/C=C/COCCCC 34a_100016283227_100000210210 [1,0,0,0,0,0|1,0,2]=4 909 B10R0.71 C/C=C/CCOC/C=C\CC 34a_100016278192_100103147603 [1,0,0,0,0,0|1,0,2]=4 910 B10R0.71 C/C=C/CCOCC#CCC 34a_100016278192_100009813939 [1,0,0,0,0,0|1,0,2]=4 911 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [1,0,0,0,0,0|1,0,0]=2 912 B10R0.71 C/C=C/CCOCCCCF 34a_100016278192_100000729493 [1,0,0,0,0,0|2,0,0]=3 913 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [1,0,0,0,0,0|2,0,0]=3 914 B10R0.71 C/C=C/CCOCCCOC 34a_100016278192_100000740836 [1,0,0,0,0,0|2,0,0]=3 915 B10R0.71 C/C=C/CCOCCOCC 34a_100016278192_100000210147 [1,0,0,0,0,0|2,0,0]=3 916 B10R0.71 C/C=C/CCOCCSCC 34a_100016278192_100000757381 [1,0,0,0,0,0|2,0,0]=3 917 B10R0.71 C/C=C/CNCCCCCO 34a_100000762737_100102629194 [1,0,0,0,0,0|2,0,0]=3 918 B10R0.71 C/C=C/CNCCCOCC 34a_100000210961_100102629194 [1,0,0,0,0,0|2,0,0]=3 919 B10R0.71 C/C=C/CNCCOCCC 34a_100161115042_100102629194 [1,0,0,0,0,0|2,0,0]=3 920 B10R0.71 C/C=C/CNCCOCCO 34a_100000211614_100102629194 [1,0,0,0,0,0|3,0,0]=4 921 B10R0.71 C/C=C/COC/C=C/CCC 34a_100016278788_100102629194 [1,0,0,0,0,0|1,0,2]=4 922 B10R0.71 C/C=C/COC/C=C/CCC 7a_100016278788_100102629194 [1,0,0,0,0,0|1,0,2]=4 923 B10R0.71 C/C=C/COCC#CCCC 34a_100000034806_100102629194 [1,0,0,0,0,0|1,0,2]=4 924 B10R0.71 C/C=C/COCC#CCCC 7a_100000034806_100102629194 [1,0,0,0,0,0|1,0,2]=4 925 B10R0.71 C/C=C/COCC/C=C\CC 34a_100016270725_100015370543 [1,0,0,0,0,0|1,0,2]=4 926 B10R0.71 C/C=C/COCC/C=C\CC 34a_100016288707_100102629194 [1,0,0,0,0,0|1,0,2]=4 927 B10R0.71 C/C=C/COCC/C=C\CC 7a_100016288707_100102629194 [1,0,0,0,0,0|1,0,2]=4 928 B10R0.71 C/C=C/COCCC#CCC 34a_100000036655_100102629194 [1,0,0,0,0,0|1,0,2]=4 929 B10R0.71 C/C=C/COCCC#CCC 7a_100000036655_100102629194 [1,0,0,0,0,0|1,0,2]=4 930 B10R0.71 C/C=C/COCCCCCBr 34a_100000746331_100102629194 [1,0,0,0,0,0|2,0,0]=3 931 B10R0.71 C/C=C/COCCCCCBr 7a_100000746331_100102629194 [1,0,0,0,0,0|2,0,0]=3 932 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,0,0,0,0,0|1,0,0]=2 933 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,0,0,0,0,0|1,0,0]=2 934 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,0,0,0,0,0|1,0,0]=2 935 B10R0.71 C/C=C/COCCCCCCl 34a_100000746330_100102629194 [1,0,0,0,0,0|2,0,0]=3 936 B10R0.71 C/C=C/COCCCCCCl 7a_100000746330_100102629194 [1,0,0,0,0,0|2,0,0]=3 937 B10R0.71 C/C=C/COCCCCCF 34a_100016270725_100000729378 [1,0,0,0,0,0|2,0,0]=3 938 B10R0.71 C/C=C/COCCCCCI 34a_200012148887_100102629194 [1,0,0,0,0,0|2,0,0]=3 939 B10R0.71 C/C=C/COCCCCCI 7a_200012148887_100102629194 [1,0,0,0,0,0|2,0,0]=3 940 B10R0.71 C/C=C/COCCCCCN 34a_100000762737_100102629194 [1,0,0,0,0,0|2,0,0]=3 941 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [1,0,0,0,0,0|2,0,0]=3 942 B10R0.71 C/C=C/COCCCCOC 34a_100000740925_100102629194 [1,0,0,0,0,0|2,0,0]=3 943 B10R0.71 C/C=C/COCCCCOC 34a_100016270725_100000755781 [1,0,0,0,0,0|2,0,0]=3 944 B10R0.71 C/C=C/COCCCCSC 34a_100011217163_100102629194 [1,0,0,0,0,0|2,0,0]=3 945 B10R0.71 C/C=C/COCCCCSC 7a_100011217163_100102629194 [1,0,0,0,0,0|2,0,0]=3 946 B10R0.71 C/C=C/COCCCOCC 34a_100000757476_100102629194 [1,0,0,0,0,0|2,0,0]=3 947 B10R0.71 C/C=C/COCCCOCC 34a_100016270725_100012232248 [1,0,0,0,0,0|2,0,0]=3 948 B10R0.71 C/C=C/COCCCOCC 7a_100000757476_100102629194 [1,0,0,0,0,0|2,0,0]=3 949 B10R0.71 C/C=C/COCCCSCC 34a_100011216438_100102629194 [1,0,0,0,0,0|2,0,0]=3 950 B10R0.71 C/C=C/COCCCSCC 7a_100011216438_100102629194 [1,0,0,0,0,0|2,0,0]=3 951 B10R0.71 C/C=C/COCCOCCBr 34a_100000692535_100102629194 [1,0,0,0,0,0|3,0,0]=4 952 B10R0.71 C/C=C/COCCOCCBr 7a_100000692535_100102629194 [1,0,0,0,0,0|3,0,0]=4 953 B10R0.71 C/C=C/COCCOCCC 34a_100000752267_100102629194 [1,0,0,0,0,0|2,0,0]=3 954 B10R0.71 C/C=C/COCCOCCC 34a_100016270725_100011215938 [1,0,0,0,0,0|2,0,0]=3 955 B10R0.71 C/C=C/COCCOCCC 7a_100000752267_100102629194 [1,0,0,0,0,0|2,0,0]=3 956 B10R0.71 C/C=C/COCCOCCCl 34a_100011215305_100102629194 [1,0,0,0,0,0|3,0,0]=4 957 B10R0.71 C/C=C/COCCOCCCl 7a_100011215305_100102629194 [1,0,0,0,0,0|3,0,0]=4 958 B10R0.71 C/C=C/COCCOCCF 34a_200015357709_100102629194 [1,0,0,0,0,0|3,0,0]=4 959 B10R0.71 C/C=C/COCCOCCF 7a_200015357709_100102629194 [1,0,0,0,0,0|3,0,0]=4 960 B10R0.71 C/C=C/COCCOCCI 34a_100012149058_100102629194 [1,0,0,0,0,0|3,0,0]=4 961 B10R0.71 C/C=C/COCCOCCI 7a_100012149058_100102629194 [1,0,0,0,0,0|3,0,0]=4 962 B10R0.71 C/C=C/COCCOCCN 34a_100000211614_100102629194 [1,0,0,0,0,0|3,0,0]=4 963 B10R0.71 C/C=C/COCCOCCO 34a_100016270725_100000692535 [1,0,0,0,0,0|3,0,0]=4 964 B10R0.71 C/C=C/COCCSCCC 34a_200000230433_100102629194 [1,0,0,0,0,0|2,0,0]=3 965 B10R0.71 C/C=C/COCCSCCC 7a_200000230433_100102629194 [1,0,0,0,0,0|2,0,0]=3 966 B10R0.71 C/C=C/COCOCCCC 34a_100016270725_100011995733 [1,0,0,0,0,0|2,0,0]=3 967 B10R0.71 C/C=C/CSCC/C=C\CC 62a_100015370543_100102629194 [1,0,0,0,0,0|1,0,2]=4 968 B10R0.71 C/C=C/CSCC/C=C\CC 62a_100102629194_100015370543 [1,0,0,0,0,0|1,0,2]=4 969 B10R0.71 C/C=C/CSCCCCC#N 62a_100011219923_100102629194 [1,0,0,0,0,0|2,0,1]=4 970 B10R0.71 C/C=C/CSCCCCC#N 62a_100102629194_100000211819 [1,0,0,0,0,0|2,0,1]=4 971 B10R0.71 C/C=C/CSCCCCC=O 62a_100000139335_100102629194 [1,0,0,0,0,0|2,0,1]=4 972 B10R0.71 C/C=C/CSCCCCC=O 62a_100102629194_100000139335 [1,0,0,0,0,0|2,0,1]=4 973 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [1,0,0,0,0,0|1,0,0]=2 974 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [1,0,0,0,0,0|1,0,0]=2 975 B10R0.71 C/C=C/CSCCCCCF 62a_100000729378_100102629194 [1,0,0,0,0,0|2,0,0]=3 976 B10R0.71 C/C=C/CSCCCCCF 62a_100102629194_100000729378 [1,0,0,0,0,0|2,0,0]=3 977 B10R0.71 C/C=C/CSCCCCCO 62a_100000746330_100102629194 [1,0,0,0,0,0|2,0,0]=3 978 B10R0.71 C/C=C/CSCCCCCO 62a_100102629194_100000746330 [1,0,0,0,0,0|2,0,0]=3 979 B10R0.71 C/C=C/CSCCCCOC 62a_100000730899_100102629194 [1,0,0,0,0,0|2,0,0]=3 980 B10R0.71 C/C=C/CSCCCCOC 62a_100102629194_100000730899 [1,0,0,0,0,0|2,0,0]=3 981 B10R0.71 C/C=C/CSCCCOCC 62a_100012232248_100102629194 [1,0,0,0,0,0|2,0,0]=3 982 B10R0.71 C/C=C/CSCCCOCC 62a_100102629194_100012232248 [1,0,0,0,0,0|2,0,0]=3 983 B10R0.71 C/C=C/CSCCOCCC 62a_100011215938_100102629194 [1,0,0,0,0,0|2,0,0]=3 984 B10R0.71 C/C=C/CSCCOCCC 62a_100102629194_100011215938 [1,0,0,0,0,0|2,0,0]=3 985 B10R0.71 C/C=C/CSCCOCCO 62a_100011215305_100102629194 [1,0,0,0,0,0|3,0,0]=4 986 B10R0.71 C/C=C/CSCCOCCO 62a_100102629194_100011215305 [1,0,0,0,0,0|3,0,0]=4 987 B10R0.71 C/C=C/CSCOCCCC 62a_100011995733_100102629194 [1,0,0,0,0,0|2,0,0]=3 988 B10R0.71 C/C=C/CSCOCCCC 62a_100102629194_100011995733 [1,0,0,0,0,0|2,0,0]=3 989 B10R0.71 C/C=C/CSCOCCOC 62a_100000231047_100102629194 [1,0,0,0,0,0|3,0,0]=4 990 B10R0.71 C/C=C/CSCOCCOC 62a_100102629194_100000231047 [1,0,0,0,0,0|3,0,0]=4 991 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [1,0,0,0,0,0|1,0,2]=4 992 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [1,0,0,0,0,0|1,0,2]=4 993 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [1,0,0,0,0,0|1,0,2]=4 994 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [1,0,0,0,0,0|1,0,2]=4 995 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [1,0,0,0,0,0|1,0,2]=4 996 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [1,0,0,0,0,0|1,0,2]=4 997 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [1,0,0,0,0,0|1,0,2]=4 998 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [1,0,0,0,0,0|1,0,2]=4 999 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [1,0,0,0,0,0|1,0,2]=4 1000 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [1,0,0,0,0,0|1,0,2]=4 1001 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [1,0,0,0,0,0|1,0,2]=4 1002 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [1,0,0,0,0,0|1,0,2]=4 1003 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [1,0,0,0,0,0|1,0,2]=4 1004 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [1,0,0,0,0,0|1,0,2]=4 1005 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [1,0,0,0,0,0|1,0,2]=4 1006 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [1,0,0,0,0,0|1,0,2]=4 1007 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [1,0,0,0,0,0|1,0,2]=4 1008 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [1,0,0,0,0,0|1,0,2]=4 1009 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [1,0,0,0,0,0|1,0,2]=4 1010 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [1,0,0,0,0,0|1,0,2]=4 1011 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [1,0,0,0,0,0|1,0,2]=4 1012 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [1,0,0,0,0,0|1,0,2]=4 1013 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [1,0,0,0,0,0|1,0,2]=4 1014 B10R0.71 C=CCCCCNC/C=C/C 34a_100000703577_100102629194 [1,0,0,0,0,0|1,0,2]=4 1015 B10R0.71 C=CCCCCNCC=CC 2230a_100000703577_100000070051 [1,0,0,0,0,0|1,0,2]=4 1016 B10R0.71 C=CCCCCNCC=CC 34a_100000703577_100000070051 [1,0,0,0,0,0|1,0,2]=4 1017 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [1,0,0,0,0,0|1,0,2]=4 1018 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [1,0,0,0,0,0|1,0,2]=4 1019 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [1,0,0,0,0,0|1,0,2]=4 1020 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [1,0,0,0,0,0|1,0,2]=4 1021 B10R0.71 C=CCCCCOC/C=C/C 34a_100000766645_100102629194 [1,0,0,0,0,0|1,0,2]=4 1022 B10R0.71 C=CCCCCOC/C=C/C 34a_100016270725_100011215482 [1,0,0,0,0,0|1,0,2]=4 1023 B10R0.71 C=CCCCCOC/C=C/C 7a_100000766645_100102629194 [1,0,0,0,0,0|1,0,2]=4 1024 B10R0.71 C=CCCCCOCC=CC 34a_100000766645_100000070051 [1,0,0,0,0,0|1,0,2]=4 1025 B10R0.71 C=CCCCCOCC=CC 7a_100000766645_100000070051 [1,0,0,0,0,0|1,0,2]=4 1026 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [1,0,0,0,0,0|1,0,2]=4 1027 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [1,0,0,0,0,0|1,0,2]=4 1028 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [1,0,0,0,0,0|1,0,2]=4 1029 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [1,0,0,0,0,0|1,0,2]=4 1030 B10R0.71 C=CCCCCSC/C=C/C 62a_100011215482_100102629194 [1,0,0,0,0,0|1,0,2]=4 1031 B10R0.71 C=CCCCCSC/C=C/C 62a_100102629194_100011215482 [1,0,0,0,0,0|1,0,2]=4 1032 B10R0.71 C=CCCCCSCC=CC 62a_100000070051_100011215482 [1,0,0,0,0,0|1,0,2]=4 1033 B10R0.71 C=CCCCCSCC=CC 62a_100011215482_100000070051 [1,0,0,0,0,0|1,0,2]=4 1034 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [1,0,0,0,0,0|1,0,2]=4 1035 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [1,0,0,0,0,0|1,0,2]=4 1036 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [1,0,0,0,0,0|1,0,2]=4 1037 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [1,0,0,0,0,0|1,0,2]=4 1038 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [1,0,0,0,0,0|1,0,2]=4 1039 B10R0.71 C=CCCCOCC/C=C/C 34a_100016278192_100000757094 [1,0,0,0,0,0|1,0,2]=4 1040 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [1,0,0,0,0,0|1,0,2]=4 1041 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [1,0,0,0,0,0|1,0,2]=4 1042 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [1,0,0,0,0,0|1,0,2]=4 1043 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [1,0,0,0,0,0|1,0,2]=4 1044 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [1,0,0,0,0,0|1,0,2]=4 1045 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [1,0,0,0,0,0|1,0,2]=4 1046 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [1,0,0,0,0,0|1,0,2]=4 1047 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [1,0,0,0,0,0|1,0,2]=4 1048 B10R0.71 C=CCCOCCCC=CC 34a_100020645299_100000754431 [1,0,0,0,0,0|1,0,2]=4 1049 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [1,0,0,0,0,0|1,0,2]=4 1050 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [1,0,0,0,0,0|1,0,2]=4 1051 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [1,0,0,0,0,0|1,0,2]=4 1052 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [1,0,0,0,0,0|1,0,2]=4 1053 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [1,0,0,0,0,0|1,0,2]=4 1054 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [1,0,0,0,0,0|1,0,2]=4 1055 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [1,0,0,0,0,0|1,0,2]=4 1056 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [1,0,0,0,0,0|1,0,2]=4 1057 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [1,0,0,0,0,0|1,0,2]=4 1058 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [1,0,0,0,0,0|1,0,2]=4 1059 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [1,0,0,0,0,0|1,0,2]=4 1060 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [1,0,0,0,0,0|1,0,2]=4 1061 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [1,0,0,0,0,0|2,0,1]=4 1062 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [1,0,0,0,0,0|2,0,1]=4 1063 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [1,0,0,0,0,0|2,0,1]=4 1064 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [1,0,0,0,0,0|2,0,1]=4 1065 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [1,0,0,0,0,0|2,0,1]=4 1066 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [1,0,0,0,0,0|2,0,1]=4 1067 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [1,0,0,0,0,0|2,0,1]=4 1068 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [1,0,0,0,0,0|2,0,1]=4 1069 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [1,0,0,0,0,0|2,0,1]=4 1070 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [1,0,0,0,0,0|2,0,1]=4 1071 B10R0.71 CC#CCCOCCCCC 34a_100000750427_100000718602 [1,0,0,0,0,0|1,0,2]=4 1072 B10R0.71 CC#CCNCCCCCC 2230a_100000210581_100000748600 [1,0,0,0,0,0|1,0,2]=4 1073 B10R0.71 CC#CCNCCCCCC 2230a_100000685387_100000210314 [1,0,0,0,0,0|1,0,2]=4 1074 B10R0.71 CC#CCNCCCCCC 34a_100000685387_100000210314 [1,0,0,0,0,0|1,0,2]=4 1075 B10R0.71 CC#CCOCCCC=CC 34a_100020645299_100000748600 [1,0,0,0,0,0|1,0,2]=4 1076 B10R0.71 CC#CCOCCCCCC 34a_100000210259_100000748600 [1,0,0,0,0,0|1,0,2]=4 1077 B10R0.71 CC#CCOCCCCCC 34a_100000761923_100000210314 [1,0,0,0,0,0|1,0,2]=4 1078 B10R0.71 CC#CCOCCCCCC 7a_100000210259_100000748600 [1,0,0,0,0,0|1,0,2]=4 1079 B10R0.71 CC#CCSCCCCCC 62a_100000210314_100000748600 [1,0,0,0,0,0|1,0,2]=4 1080 B10R0.71 CC#CCSCCCCCC 62a_100000748600_100000210757 [1,0,0,0,0,0|1,0,2]=4 1081 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [1,0,0,0,0,0|2,0,0]=3 1082 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [1,0,0,0,0,0|2,0,0]=3 1083 B10R0.71 CC/C=C/CCCOCCF 34a_100016287902_100011217306 [1,0,0,0,0,0|3,0,0]=4 1084 B10R0.71 CC/C=C/CCCOCCF 7a_100016287902_100011217306 [1,0,0,0,0,0|3,0,0]=4 1085 B10R0.71 CC/C=C/CCCOCCO 34a_100016287902_100000211926 [1,0,0,0,0,0|3,0,0]=4 1086 B10R0.71 CC/C=C/CCCOCCO 7a_100016287902_100000211926 [1,0,0,0,0,0|3,0,0]=4 1087 B10R0.71 CC/C=C/CCCOCSC 34a_100016287902_100011218213 [1,0,0,0,0,0|3,0,0]=4 1088 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [1,0,0,0,0,0|2,0,0]=3 1089 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [1,0,0,0,0,0|2,0,0]=3 1090 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [1,0,0,0,0,0|2,0,0]=3 1091 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [1,0,0,0,0,0|2,0,0]=3 1092 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [1,0,0,0,0,0|2,0,0]=3 1093 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [1,0,0,0,0,0|2,0,0]=3 1094 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [1,0,0,0,0,0|2,0,0]=3 1095 B10R0.71 CC/C=C\CCCCOCF 34a_100016287862_100015361967 [1,0,0,0,0,0|3,0,0]=4 1096 B10R0.71 CC/C=C\CCCCOCF 7a_100016287862_100015361967 [1,0,0,0,0,0|3,0,0]=4 1097 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [1,0,0,0,0,0|2,0,0]=3 1098 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [1,0,0,0,0,0|2,0,0]=3 1099 B10R0.71 CC/C=C\CCNCCCF 2230a_100015189416_100015370543 [1,0,0,0,0,0|3,0,0]=4 1100 B10R0.71 CC/C=C\CCNCCCF 34a_100015189416_100015370543 [1,0,0,0,0,0|3,0,0]=4 1101 B10R0.71 CC/C=C\CCNCCOC 2230a_100000209980_100015370543 [1,0,0,0,0,0|3,0,0]=4 1102 B10R0.71 CC/C=C\CCNCCSC 2230a_100020590264_100015370543 [1,0,0,0,0,0|3,0,0]=4 1103 B10R0.71 CC/C=C\CCOCCCBr 34a_100011217188_100015370543 [1,0,0,0,0,0|3,0,0]=4 1104 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [1,0,0,0,0,0|2,0,0]=3 1105 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [1,0,0,0,0,0|2,0,0]=3 1106 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [1,0,0,0,0,0|2,0,0]=3 1107 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [1,0,0,0,0,0|2,0,0]=3 1108 B10R0.71 CC/C=C\CCOCCCCl 34a_100000230001_100015370543 [1,0,0,0,0,0|3,0,0]=4 1109 B10R0.71 CC/C=C\CCOCCCF 34a_100000759539_100015370543 [1,0,0,0,0,0|3,0,0]=4 1110 B10R0.71 CC/C=C\CCOCCCF 34a_100016288707_100011934791 [1,0,0,0,0,0|3,0,0]=4 1111 B10R0.71 CC/C=C\CCOCCCF 7a_100016288707_100011934791 [1,0,0,0,0,0|3,0,0]=4 1112 B10R0.71 CC/C=C\CCOCCCN 34a_100000182051_100015370543 [1,0,0,0,0,0|3,0,0]=4 1113 B10R0.71 CC/C=C\CCOCCCO 34a_100016288707_100000230001 [1,0,0,0,0,0|3,0,0]=4 1114 B10R0.71 CC/C=C\CCOCCCO 7a_100016288707_100011215043 [1,0,0,0,0,0|3,0,0]=4 1115 B10R0.71 CC/C=C\CCOCCOC 34a_100000210237_100015370543 [1,0,0,0,0,0|3,0,0]=4 1116 B10R0.71 CC/C=C\CCOCCOC 34a_100016288707_100011201679 [1,0,0,0,0,0|3,0,0]=4 1117 B10R0.71 CC/C=C\CCOCCOC 7a_100016288707_100000233755 [1,0,0,0,0,0|3,0,0]=4 1118 B10R0.71 CC/C=C\CCOCCSC 34a_100000230434_100015370543 [1,0,0,0,0,0|3,0,0]=4 1119 B10R0.71 CC/C=C\CCOCCSC 34a_100016288707_100000212216 [1,0,0,0,0,0|3,0,0]=4 1120 B10R0.71 CC/C=C\CCOCCSC 7a_100000230434_100015370543 [1,0,0,0,0,0|3,0,0]=4 1121 B10R0.71 CC/C=C\CCOCCSC 7a_100016288707_100000212216 [1,0,0,0,0,0|3,0,0]=4 1122 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [1,0,0,0,0,0|2,0,0]=3 1123 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [1,0,0,0,0,0|2,0,0]=3 1124 B10R0.71 CC/C=C\CCSCCCF 62a_100011934791_100015370543 [1,0,0,0,0,0|3,0,0]=4 1125 B10R0.71 CC/C=C\CCSCCCF 62a_100015370543_100011934791 [1,0,0,0,0,0|3,0,0]=4 1126 B10R0.71 CC/C=C\CCSCCCO 62a_100011215043_100015370543 [1,0,0,0,0,0|3,0,0]=4 1127 B10R0.71 CC/C=C\CCSCCCO 62a_100015370543_100011215043 [1,0,0,0,0,0|3,0,0]=4 1128 B10R0.71 CC/C=C\CCSCCOC 62a_100000233755_100015370543 [1,0,0,0,0,0|3,0,0]=4 1129 B10R0.71 CC/C=C\CCSCCOC 62a_100015370543_100000233755 [1,0,0,0,0,0|3,0,0]=4 1130 B10R0.71 CC/C=C\CCSCCSC 62a_100000212216_100015370543 [1,0,0,0,0,0|3,0,0]=4 1131 B10R0.71 CC/C=C\CCSCCSC 62a_100015370543_100000751147 [1,0,0,0,0,0|3,0,0]=4 1132 B10R0.71 CC/C=C\CCSCOCC 62a_100000739092_100015370543 [1,0,0,0,0,0|3,0,0]=4 1133 B10R0.71 CC/C=C\CCSCOCC 62a_100015370543_100000739092 [1,0,0,0,0,0|3,0,0]=4 1134 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [1,0,0,0,0,0|2,0,0]=3 1135 B10R0.71 CC/C=C\CNCCCCO 2230a_100000750430_100103147603 [1,0,0,0,0,0|3,0,0]=4 1136 B10R0.71 CC/C=C\CNCCCCO 34a_100000750430_100103147603 [1,0,0,0,0,0|3,0,0]=4 1137 B10R0.71 CC/C=C\CNCCCOC 34a_100150723488_100103147603 [1,0,0,0,0,0|3,0,0]=4 1138 B10R0.71 CC/C=C\CNCCCSC 2230a_100000749238_100103147603 [1,0,0,0,0,0|3,0,0]=4 1139 B10R0.71 CC/C=C\CNCCOCC 2230a_102516460346_100103147603 [1,0,0,0,0,0|3,0,0]=4 1140 B10R0.71 CC/C=C\CNCCOCC 34a_102516460346_100103147603 [1,0,0,0,0,0|3,0,0]=4 1141 B10R0.71 CC/C=C\CNCCSCC 2230a_100000106463_100103147603 [1,0,0,0,0,0|3,0,0]=4 1142 B10R0.71 CC/C=C\COCCCCBr 34a_100011216708_100103147603 [1,0,0,0,0,0|3,0,0]=4 1143 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [1,0,0,0,0,0|2,0,0]=3 1144 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [1,0,0,0,0,0|2,0,0]=3 1145 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [1,0,0,0,0,0|2,0,0]=3 1146 B10R0.71 CC/C=C\COCCCCCl 34a_100000210776_100103147603 [1,0,0,0,0,0|3,0,0]=4 1147 B10R0.71 CC/C=C\COCCCCCl 7a_100000210776_100103147603 [1,0,0,0,0,0|3,0,0]=4 1148 B10R0.71 CC/C=C\COCCCCF 34a_100011995726_100103147603 [1,0,0,0,0,0|3,0,0]=4 1149 B10R0.71 CC/C=C\COCCCCF 34a_100016268518_100000729493 [1,0,0,0,0,0|3,0,0]=4 1150 B10R0.71 CC/C=C\COCCCCF 7a_100011995726_100103147603 [1,0,0,0,0,0|3,0,0]=4 1151 B10R0.71 CC/C=C\COCCCCI 34a_200012148704_100103147603 [1,0,0,0,0,0|3,0,0]=4 1152 B10R0.71 CC/C=C\COCCCCN 34a_100000750430_100103147603 [1,0,0,0,0,0|3,0,0]=4 1153 B10R0.71 CC/C=C\COCCCCO 34a_100016268518_100011216708 [1,0,0,0,0,0|3,0,0]=4 1154 B10R0.71 CC/C=C\COCCCNC 34a_100000213112_100103147603 [1,0,0,0,0,0|3,0,0]=4 1155 B10R0.71 CC/C=C\COCCCOC 34a_100000740835_100103147603 [1,0,0,0,0,0|3,0,0]=4 1156 B10R0.71 CC/C=C\COCCCOC 34a_100016268518_100000740836 [1,0,0,0,0,0|3,0,0]=4 1157 B10R0.71 CC/C=C\COCCCSC 34a_100000690336_100103147603 [1,0,0,0,0,0|3,0,0]=4 1158 B10R0.71 CC/C=C\COCCCSC 7a_100000690336_100103147603 [1,0,0,0,0,0|3,0,0]=4 1159 B10R0.71 CC/C=C\COCCOCC 34a_100000210136_100103147603 [1,0,0,0,0,0|3,0,0]=4 1160 B10R0.71 CC/C=C\COCCOCC 34a_100016268518_100000210147 [1,0,0,0,0,0|3,0,0]=4 1161 B10R0.71 CC/C=C\COCCOCC 7a_100000210136_100103147603 [1,0,0,0,0,0|3,0,0]=4 1162 B10R0.71 CC/C=C\COCCSCC 34a_100000212035_100103147603 [1,0,0,0,0,0|3,0,0]=4 1163 B10R0.71 CC/C=C\COCCSCC 34a_100016268518_100000757381 [1,0,0,0,0,0|3,0,0]=4 1164 B10R0.71 CC/C=C\COCCSCC 7a_100000212035_100103147603 [1,0,0,0,0,0|3,0,0]=4 1165 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [1,0,0,0,0,0|2,0,0]=3 1166 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [1,0,0,0,0,0|2,0,0]=3 1167 B10R0.71 CC/C=C\CSCCCCF 62a_100000729493_100103147603 [1,0,0,0,0,0|3,0,0]=4 1168 B10R0.71 CC/C=C\CSCCCCF 62a_100103147603_100000729493 [1,0,0,0,0,0|3,0,0]=4 1169 B10R0.71 CC/C=C\CSCCCCO 62a_100000210776_100103147603 [1,0,0,0,0,0|3,0,0]=4 1170 B10R0.71 CC/C=C\CSCCCCO 62a_100103147603_100000210776 [1,0,0,0,0,0|3,0,0]=4 1171 B10R0.71 CC/C=C\CSCCCOC 62a_100000709357_100103147603 [1,0,0,0,0,0|3,0,0]=4 1172 B10R0.71 CC/C=C\CSCCCOC 62a_100103147603_100000709357 [1,0,0,0,0,0|3,0,0]=4 1173 B10R0.71 CC/C=C\CSCCOCC 62a_100000210147_100103147603 [1,0,0,0,0,0|3,0,0]=4 1174 B10R0.71 CC/C=C\CSCCOCC 62a_100103147603_100011215890 [1,0,0,0,0,0|3,0,0]=4 1175 B10R0.71 CC/C=C\CSCCSCC 62a_100000757381_100103147603 [1,0,0,0,0,0|3,0,0]=4 1176 B10R0.71 CC/C=C\CSCCSCC 62a_100103147603_100000757381 [1,0,0,0,0,0|3,0,0]=4 1177 B10R0.71 CC=C=CCCOCCCC 34a_100011020354_100000210210 [1,0,0,0,0,0|1,0,2]=4 1178 B10R0.71 CC=CCCCOC/C=C/C 34a_100020645299_100102629194 [1,0,0,0,0,0|1,0,2]=4 1179 B10R0.71 CC=CCCCOCC=CC 34a_100020645299_100000070051 [1,0,0,0,0,0|1,0,2]=4 1180 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [1,0,0,0,0,0|1,0,0]=2 1181 B10R0.71 CC=CCCCOCCCF 34a_100020645299_100011934791 [1,0,0,0,0,0|2,0,0]=3 1182 B10R0.71 CC=CCCCOCCCO 34a_100020645299_100000230001 [1,0,0,0,0,0|2,0,0]=3 1183 B10R0.71 CC=CCCCOCCOC 34a_100020645299_100011201679 [1,0,0,0,0,0|2,0,0]=3 1184 B10R0.71 CC=CCCCOCCSC 34a_100020645299_100000212216 [1,0,0,0,0,0|2,0,0]=3 1185 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [1,0,0,0,0,0|1,0,0]=2 1186 B10R0.71 CC=CCNCCCCCO 2230a_100000762737_100000070051 [1,0,0,0,0,0|2,0,0]=3 1187 B10R0.71 CC=CCNCCCCCO 34a_100000762737_100000070051 [1,0,0,0,0,0|2,0,0]=3 1188 B10R0.71 CC=CCNCCCOCC 2230a_100000210961_100000070051 [1,0,0,0,0,0|2,0,0]=3 1189 B10R0.71 CC=CCNCCCOCC 34a_100000210961_100000070051 [1,0,0,0,0,0|2,0,0]=3 1190 B10R0.71 CC=CCNCCOCCC 2230a_100161115042_100000070051 [1,0,0,0,0,0|2,0,0]=3 1191 B10R0.71 CC=CCNCCOCCC 34a_100161115042_100000070051 [1,0,0,0,0,0|2,0,0]=3 1192 B10R0.71 CC=CCNCCOCCO 2230a_100000211614_100000070051 [1,0,0,0,0,0|3,0,0]=4 1193 B10R0.71 CC=CCNCCOCCO 34a_100000211614_100000070051 [1,0,0,0,0,0|3,0,0]=4 1194 B10R0.71 CC=CCNCCSCCC 2230a_100020603323_100000070051 [1,0,0,0,0,0|2,0,0]=3 1195 B10R0.71 CC=CCNCCSCCO 2230a_100011219999_100000070051 [1,0,0,0,0,0|3,0,0]=4 1196 B10R0.71 CC=CCOC/C=C/CCC 34a_100016278788_100000070051 [1,0,0,0,0,0|1,0,2]=4 1197 B10R0.71 CC=CCOC/C=C/CCC 7a_100016278788_100000070051 [1,0,0,0,0,0|1,0,2]=4 1198 B10R0.71 CC=CCOCC#CCCC 34a_100000034806_100000070051 [1,0,0,0,0,0|1,0,2]=4 1199 B10R0.71 CC=CCOCC#CCCC 7a_100000034806_100000070051 [1,0,0,0,0,0|1,0,2]=4 1200 B10R0.71 CC=CCOCC/C=C\CC 34a_100016288707_100000070051 [1,0,0,0,0,0|1,0,2]=4 1201 B10R0.71 CC=CCOCC/C=C\CC 7a_100016288707_100000070051 [1,0,0,0,0,0|1,0,2]=4 1202 B10R0.71 CC=CCOCCC#CCC 34a_100000036655_100000070051 [1,0,0,0,0,0|1,0,2]=4 1203 B10R0.71 CC=CCOCCC#CCC 7a_100000036655_100000070051 [1,0,0,0,0,0|1,0,2]=4 1204 B10R0.71 CC=CCOCCCCCBr 34a_100000746331_100000070051 [1,0,0,0,0,0|2,0,0]=3 1205 B10R0.71 CC=CCOCCCCCBr 7a_100000746331_100000070051 [1,0,0,0,0,0|2,0,0]=3 1206 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,0,0,0,0,0|1,0,0]=2 1207 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,0,0,0,0,0|1,0,0]=2 1208 B10R0.71 CC=CCOCCCCCCl 34a_100000746330_100000070051 [1,0,0,0,0,0|2,0,0]=3 1209 B10R0.71 CC=CCOCCCCCCl 7a_100000746330_100000070051 [1,0,0,0,0,0|2,0,0]=3 1210 B10R0.71 CC=CCOCCCCCI 34a_200012148887_100000070051 [1,0,0,0,0,0|2,0,0]=3 1211 B10R0.71 CC=CCOCCCCCI 7a_200012148887_100000070051 [1,0,0,0,0,0|2,0,0]=3 1212 B10R0.71 CC=CCOCCCCCN 34a_100000762737_100000070051 [1,0,0,0,0,0|2,0,0]=3 1213 B10R0.71 CC=CCOCCCCOC 34a_100000740925_100000070051 [1,0,0,0,0,0|2,0,0]=3 1214 B10R0.71 CC=CCOCCCCSC 34a_100011217163_100000070051 [1,0,0,0,0,0|2,0,0]=3 1215 B10R0.71 CC=CCOCCCCSC 7a_100011217163_100000070051 [1,0,0,0,0,0|2,0,0]=3 1216 B10R0.71 CC=CCOCCCOCC 34a_100000757476_100000070051 [1,0,0,0,0,0|2,0,0]=3 1217 B10R0.71 CC=CCOCCCOCC 7a_100000757476_100000070051 [1,0,0,0,0,0|2,0,0]=3 1218 B10R0.71 CC=CCOCCCSCC 34a_100011216438_100000070051 [1,0,0,0,0,0|2,0,0]=3 1219 B10R0.71 CC=CCOCCCSCC 7a_100011216438_100000070051 [1,0,0,0,0,0|2,0,0]=3 1220 B10R0.71 CC=CCOCCOCCBr 34a_100000692535_100000070051 [1,0,0,0,0,0|3,0,0]=4 1221 B10R0.71 CC=CCOCCOCCBr 7a_100000692535_100000070051 [1,0,0,0,0,0|3,0,0]=4 1222 B10R0.71 CC=CCOCCOCCC 34a_100000752267_100000070051 [1,0,0,0,0,0|2,0,0]=3 1223 B10R0.71 CC=CCOCCOCCC 7a_100000752267_100000070051 [1,0,0,0,0,0|2,0,0]=3 1224 B10R0.71 CC=CCOCCOCCCl 34a_100011215305_100000070051 [1,0,0,0,0,0|3,0,0]=4 1225 B10R0.71 CC=CCOCCOCCCl 7a_100011215305_100000070051 [1,0,0,0,0,0|3,0,0]=4 1226 B10R0.71 CC=CCOCCOCCF 34a_200015357709_100000070051 [1,0,0,0,0,0|3,0,0]=4 1227 B10R0.71 CC=CCOCCOCCF 7a_200015357709_100000070051 [1,0,0,0,0,0|3,0,0]=4 1228 B10R0.71 CC=CCOCCOCCI 34a_100012149058_100000070051 [1,0,0,0,0,0|3,0,0]=4 1229 B10R0.71 CC=CCOCCOCCI 7a_100012149058_100000070051 [1,0,0,0,0,0|3,0,0]=4 1230 B10R0.71 CC=CCOCCOCCN 34a_100000211614_100000070051 [1,0,0,0,0,0|3,0,0]=4 1231 B10R0.71 CC=CCOCCSCCC 34a_200000230433_100000070051 [1,0,0,0,0,0|2,0,0]=3 1232 B10R0.71 CC=CCOCCSCCC 7a_200000230433_100000070051 [1,0,0,0,0,0|2,0,0]=3 1233 B10R0.71 CC=CCSCC/C=C\CC 62a_100000070051_100015370543 [1,0,0,0,0,0|1,0,2]=4 1234 B10R0.71 CC=CCSCC/C=C\CC 62a_100015370543_100000070051 [1,0,0,0,0,0|1,0,2]=4 1235 B10R0.71 CC=CCSCCCCC#N 62a_100000070051_100000211819 [1,0,0,0,0,0|2,0,1]=4 1236 B10R0.71 CC=CCSCCCCC#N 62a_100011219923_100000070051 [1,0,0,0,0,0|2,0,1]=4 1237 B10R0.71 CC=CCSCCCCC=O 62a_100000070051_100000139335 [1,0,0,0,0,0|2,0,1]=4 1238 B10R0.71 CC=CCSCCCCC=O 62a_100000139335_100000070051 [1,0,0,0,0,0|2,0,1]=4 1239 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [1,0,0,0,0,0|1,0,0]=2 1240 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [1,0,0,0,0,0|1,0,0]=2 1241 B10R0.71 CC=CCSCCCCCF 62a_100000070051_100000729378 [1,0,0,0,0,0|2,0,0]=3 1242 B10R0.71 CC=CCSCCCCCF 62a_100000729378_100000070051 [1,0,0,0,0,0|2,0,0]=3 1243 B10R0.71 CC=CCSCCCCCO 62a_100000070051_100000746330 [1,0,0,0,0,0|2,0,0]=3 1244 B10R0.71 CC=CCSCCCCCO 62a_100000746330_100000070051 [1,0,0,0,0,0|2,0,0]=3 1245 B10R0.71 CC=CCSCCCCOC 62a_100000070051_100000730899 [1,0,0,0,0,0|2,0,0]=3 1246 B10R0.71 CC=CCSCCCCOC 62a_100000730899_100000070051 [1,0,0,0,0,0|2,0,0]=3 1247 B10R0.71 CC=CCSCCCOCC 62a_100000070051_100012232248 [1,0,0,0,0,0|2,0,0]=3 1248 B10R0.71 CC=CCSCCCOCC 62a_100012232248_100000070051 [1,0,0,0,0,0|2,0,0]=3 1249 B10R0.71 CC=CCSCCOCCC 62a_100000070051_100011215938 [1,0,0,0,0,0|2,0,0]=3 1250 B10R0.71 CC=CCSCCOCCC 62a_100011215938_100000070051 [1,0,0,0,0,0|2,0,0]=3 1251 B10R0.71 CC=CCSCCOCCO 62a_100000070051_100011215305 [1,0,0,0,0,0|3,0,0]=4 1252 B10R0.71 CC=CCSCCOCCO 62a_100011215305_100000070051 [1,0,0,0,0,0|3,0,0]=4 1253 B10R0.71 CC=CCSCOCCCC 62a_100000070051_100011995733 [1,0,0,0,0,0|2,0,0]=3 1254 B10R0.71 CC=CCSCOCCCC 62a_100011995733_100000070051 [1,0,0,0,0,0|2,0,0]=3 1255 B10R0.71 CC=CCSCOCCOC 62a_100000070051_100000231047 [1,0,0,0,0,0|3,0,0]=4 1256 B10R0.71 CC=CCSCOCCOC 62a_100000231047_100000070051 [1,0,0,0,0,0|3,0,0]=4 1257 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,0,0,0,0,0|1,0,1]=3 1258 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,0,0,0,0,0|1,0,1]=3 1259 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,0,0,0,0,0|1,0,1]=3 1260 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,0,0,0,0,0|1,0,1]=3 1261 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,0,0,0,0,0|1,0,1]=3 1262 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,0,0,0,0,0|1,0,1]=3 1263 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,0,0,0,0,0|1,0,1]=3 1264 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,0,0,0,0,0|1,0,1]=3 1265 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,0,0,0,0,0|1,0,1]=3 1266 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,0,0,0,0,0|1,0,1]=3 1267 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,0,0,0,0,0|1,0,1]=3 1268 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,0,0,0,0,0|1,0,1]=3 1269 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,0,0,0,0,0|1,0,1]=3 1270 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,0,0,0,0,0|1,0,1]=3 1271 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [1,0,0,0,0,0|1,0,1]=3 1272 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [1,0,0,0,0,0|1,0,1]=3 1273 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [1,0,0,0,0,0|1,0,1]=3 1274 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [1,0,0,0,0,0|2,0,0]=3 1275 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [1,0,0,0,0,0|1,0,1]=3 1276 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [1,0,0,0,0,0|1,0,1]=3 1277 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [1,0,0,0,0,0|1,0,1]=3 1278 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [1,0,0,0,0,0|2,0,0]=3 1279 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [1,0,0,0,0,0|2,0,0]=3 1280 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [1,0,0,0,0,0|1,0,1]=3 1281 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [1,0,0,0,0,0|1,0,1]=3 1282 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [1,0,0,0,0,0|2,0,0]=3 1283 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [1,0,0,0,0,0|2,0,0]=3 1284 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [1,0,0,0,0,0|1,0,2]=4 1285 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [1,0,0,0,0,0|1,0,2]=4 1286 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [1,0,0,0,0,0|2,0,1]=4 1287 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [1,0,0,0,0,0|2,0,1]=4 1288 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [1,0,0,0,0,0|1,0,1]=3 1289 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [1,0,0,0,0,0|1,0,1]=3 1290 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [1,0,0,0,0,0|1,0,1]=3 1291 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [1,0,0,0,0,0|2,0,1]=4 1292 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [1,0,0,0,0,0|2,0,1]=4 1293 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,0,0,0,0,0|1,0,2]=4 1294 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,0,0,0,0,0|1,0,2]=4 1295 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [1,0,0,0,0,0|2,0,1]=4 1296 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,0,0,0,0,0|1,0,2]=4 1297 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,0,0,0,0,0|1,0,2]=4 1298 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,0,0,0,0,0|1,0,2]=4 1299 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [1,0,0,0,0,0|2,0,1]=4 1300 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [1,0,0,0,0,0|2,0,1]=4 1301 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [1,0,0,0,0,0|2,0,1]=4 1302 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [1,0,0,0,0,0|1,0,1]=3 1303 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [1,0,0,0,0,0|1,0,1]=3 1304 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [1,0,0,0,0,0|2,0,1]=4 1305 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [1,0,0,0,0,0|1,0,2]=4 1306 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [1,0,0,0,0,0|1,0,2]=4 1307 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [1,0,0,0,0,0|1,0,2]=4 1308 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [1,0,0,0,0,0|1,0,2]=4 1309 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [1,0,0,0,0,0|2,0,1]=4 1310 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [1,0,0,0,0,0|2,0,1]=4 1311 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [1,0,0,0,0,0|1,0,1]=3 1312 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [1,0,0,0,0,0|1,0,1]=3 1313 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [1,0,0,0,0,0|2,0,1]=4 1314 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [1,0,0,0,0,0|2,0,1]=4 1315 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [1,0,0,0,0,0|2,0,1]=4 1316 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [1,0,0,0,0,0|2,0,1]=4 1317 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [1,0,0,0,0,0|1,0,2]=4 1318 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [1,0,0,0,0,0|1,0,2]=4 1319 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [1,0,0,0,0,0|1,0,2]=4 1320 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [1,0,0,0,0,0|2,0,1]=4 1321 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [1,0,0,0,0,0|2,0,1]=4 1322 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [1,0,0,0,0,0|2,0,1]=4 1323 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [1,0,0,0,0,0|1,0,1]=3 1324 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [1,0,0,0,0,0|2,0,1]=4 1325 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [1,0,0,0,0,0|2,0,1]=4 1326 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [1,0,0,0,0,0|2,0,1]=4 1327 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [1,0,0,0,0,0|2,0,1]=4 1328 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [1,0,0,0,0,0|2,0,1]=4 1329 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,0,0,0,0,0|1,0,2]=4 1330 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,0,0,0,0,0|1,0,2]=4 1331 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,0,0,0,0,0|1,0,2]=4 1332 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,0,0,0,0,0|1,0,2]=4 1333 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [1,0,0,0,0,0|2,0,1]=4 1334 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [1,0,0,0,0,0|2,0,1]=4 1335 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [1,0,0,0,0,0|2,0,1]=4 1336 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [1,0,0,0,0,0|2,0,1]=4 1337 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [1,0,0,0,0,0|2,0,1]=4 1338 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [1,0,0,0,0,0|1,0,1]=3 1339 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [1,0,0,0,0,0|1,0,1]=3 1340 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [1,0,0,0,0,0|2,0,1]=4 1341 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [1,0,0,0,0,0|2,0,1]=4 1342 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [1,0,0,0,0,0|2,0,1]=4 1343 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [1,0,0,0,0,0|2,0,1]=4 1344 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [1,0,0,0,0,0|2,0,1]=4 1345 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [1,0,0,0,0,0|2,0,1]=4 1346 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [1,0,0,0,0,0|2,0,1]=4 1347 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [1,0,0,0,0,0|2,0,1]=4 1348 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [1,0,0,0,0,0|2,0,1]=4 1349 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [1,0,0,0,0,0|2,0,1]=4 1350 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [1,0,0,0,0,0|2,0,1]=4 1351 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [1,0,0,0,0,0|1,0,2]=4 1352 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [1,0,0,0,0,0|1,0,2]=4 1353 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [1,0,0,0,0,0|2,0,1]=4 1354 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [1,0,0,0,0,0|2,0,1]=4 1355 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [1,0,0,0,0,0|1,0,1]=3 1356 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [1,0,0,0,0,0|1,0,1]=3 1357 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [1,0,0,0,0,0|2,0,1]=4 1358 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [1,0,0,0,0,0|2,0,1]=4 1359 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [1,0,0,0,0,0|2,0,1]=4 1360 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [1,0,0,0,0,0|2,0,1]=4 1361 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [1,0,0,0,0,0|2,0,1]=4 1362 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [1,0,0,0,0,0|2,0,1]=4 1363 B10R0.71 CCCCCNCC#CCO 2230a_100000209983_200000047223 [1,0,0,0,0,0|1,0,2]=4 1364 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [1,0,0,0,0,0|1,0,2]=4 1365 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [1,0,0,0,0,0|1,0,2]=4 1366 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [1,0,0,0,0,0|2,0,1]=4 1367 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [1,0,0,0,0,0|1,0,1]=3 1368 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [1,0,0,0,0,0|1,0,1]=3 1369 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [1,0,0,0,0,0|1,0,1]=3 1370 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [1,0,0,0,0,0|2,0,1]=4 1371 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [1,0,0,0,0,0|2,0,1]=4 1372 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [1,0,0,0,0,0|2,0,1]=4 1373 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [1,0,0,0,0,0|2,0,1]=4 1374 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [1,0,0,0,0,0|2,0,1]=4 1375 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [1,0,0,0,0,0|2,0,1]=4 1376 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [1,0,0,0,0,0|2,0,1]=4 1377 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [1,0,0,0,0,0|3,0,0]=4 1378 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [1,0,0,0,0,0|2,0,1]=4 1379 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [1,0,0,0,0,0|2,0,1]=4 1380 B10R0.71 CCCCCOCC#CCO 34a_100000210253_200000047223 [1,0,0,0,0,0|1,0,2]=4 1381 B10R0.71 CCCCCOCC#CCO 7a_100000210253_200000047223 [1,0,0,0,0,0|1,0,2]=4 1382 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [1,0,0,0,0,0|1,0,2]=4 1383 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [1,0,0,0,0,0|2,0,1]=4 1384 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [1,0,0,0,0,0|1,0,2]=4 1385 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [1,0,0,0,0,0|1,0,2]=4 1386 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [1,0,0,0,0,0|2,0,1]=4 1387 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [1,0,0,0,0,0|2,0,1]=4 1388 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [1,0,0,0,0,0|2,0,1]=4 1389 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [1,0,0,0,0,0|2,0,1]=4 1390 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [1,0,0,0,0,0|2,0,1]=4 1391 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [1,0,0,0,0,0|2,0,1]=4 1392 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [1,0,0,0,0,0|2,0,1]=4 1393 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [1,0,0,0,0,0|2,0,1]=4 1394 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [1,0,0,0,0,0|1,0,1]=3 1395 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [1,0,0,0,0,0|1,0,1]=3 1396 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [1,0,0,0,0,0|2,0,1]=4 1397 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [1,0,0,0,0,0|2,0,1]=4 1398 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [1,0,0,0,0,0|2,0,1]=4 1399 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [1,0,0,0,0,0|2,0,1]=4 1400 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [1,0,0,0,0,0|2,0,1]=4 1401 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [1,0,0,0,0,0|2,0,1]=4 1402 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [1,0,0,0,0,0|2,0,1]=4 1403 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [1,0,0,0,0,0|2,0,1]=4 1404 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [1,0,0,0,0,0|2,0,1]=4 1405 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [1,0,0,0,0,0|2,0,1]=4 1406 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [1,0,0,0,0,0|2,0,1]=4 1407 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [1,0,0,0,0,0|2,0,1]=4 1408 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [1,0,0,0,0,0|3,0,0]=4 1409 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [1,0,0,0,0,0|3,0,0]=4 1410 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [1,0,0,0,0,0|2,0,1]=4 1411 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [1,0,0,0,0,0|2,0,1]=4 1412 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [1,0,0,0,0,0|2,0,1]=4 1413 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [1,0,0,0,0,0|2,0,1]=4 1414 B10R0.71 CCCCCSCC#CCO 62a_100000210326_200000047223 [1,0,0,0,0,0|1,0,2]=4 1415 B10R0.71 CCCCCSCC#CCO 62a_200000047223_100000210326 [1,0,0,0,0,0|1,0,2]=4 1416 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [1,0,0,0,0,0|1,0,2]=4 1417 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [1,0,0,0,0,0|1,0,2]=4 1418 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [1,0,0,0,0,0|1,0,2]=4 1419 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [1,0,0,0,0,0|2,0,1]=4 1420 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [1,0,0,0,0,0|2,0,1]=4 1421 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [1,0,0,0,0,0|1,0,1]=3 1422 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [1,0,0,0,0,0|1,0,1]=3 1423 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [1,0,0,0,0,0|2,0,1]=4 1424 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [1,0,0,0,0,0|2,0,1]=4 1425 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [1,0,0,0,0,0|2,0,1]=4 1426 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [1,0,0,0,0,0|2,0,1]=4 1427 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [1,0,0,0,0,0|2,0,1]=4 1428 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [1,0,0,0,0,0|2,0,1]=4 1429 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [1,0,0,0,0,0|1,0,2]=4 1430 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [1,0,0,0,0,0|1,0,2]=4 1431 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [1,0,0,0,0,0|2,0,1]=4 1432 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [1,0,0,0,0,0|2,0,1]=4 1433 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [1,0,0,0,0,0|1,0,1]=3 1434 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [1,0,0,0,0,0|1,0,1]=3 1435 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [1,0,0,0,0,0|1,0,1]=3 1436 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [1,0,0,0,0,0|1,0,1]=3 1437 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [1,0,0,0,0,0|2,0,1]=4 1438 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [1,0,0,0,0,0|2,0,1]=4 1439 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [1,0,0,0,0,0|2,0,1]=4 1440 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [1,0,0,0,0,0|2,0,1]=4 1441 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [1,0,0,0,0,0|2,0,1]=4 1442 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [1,0,0,0,0,0|2,0,1]=4 1443 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [1,0,0,0,0,0|2,0,1]=4 1444 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [1,0,0,0,0,0|2,0,1]=4 1445 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [1,0,0,0,0,0|2,0,1]=4 1446 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [1,0,0,0,0,0|2,0,1]=4 1447 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [1,0,0,0,0,0|2,0,1]=4 1448 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [1,0,0,0,0,0|2,0,1]=4 1449 B10R0.71 CCCCNCCSCCO 2230a_100011219999_100000210211 [1,0,0,0,0,0|2,0,1]=4 1450 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [1,0,0,0,0,0|1,0,2]=4 1451 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [1,0,0,0,0,0|2,0,1]=4 1452 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [1,0,0,0,0,0|2,0,1]=4 1453 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [1,0,0,0,0,0|2,0,1]=4 1454 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [1,0,0,0,0,0|2,0,1]=4 1455 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [1,0,0,0,0,0|2,0,1]=4 1456 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [1,0,0,0,0,0|2,0,1]=4 1457 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [1,0,0,0,0,0|2,0,1]=4 1458 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [1,0,0,0,0,0|2,0,1]=4 1459 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [1,0,0,0,0,0|2,0,1]=4 1460 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [1,0,0,0,0,0|1,0,1]=3 1461 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [1,0,0,0,0,0|1,0,1]=3 1462 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [1,0,0,0,0,0|2,0,1]=4 1463 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [1,0,0,0,0,0|2,0,1]=4 1464 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [1,0,0,0,0,0|2,0,1]=4 1465 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [1,0,0,0,0,0|2,0,1]=4 1466 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [1,0,0,0,0,0|2,0,1]=4 1467 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [1,0,0,0,0,0|2,0,1]=4 1468 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [1,0,0,0,0,0|2,0,1]=4 1469 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [1,0,0,0,0,0|2,0,1]=4 1470 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [1,0,0,0,0,0|2,0,1]=4 1471 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [1,0,0,0,0,0|2,0,1]=4 1472 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [1,0,0,0,0,0|2,0,1]=4 1473 B10R0.71 CCCCOCCCNCF 34a_200000211371_100015361967 [1,0,0,0,0,0|3,0,0]=4 1474 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [1,0,0,0,0,0|2,0,1]=4 1475 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [1,0,0,0,0,0|2,0,1]=4 1476 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [1,0,0,0,0,0|2,0,1]=4 1477 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [1,0,0,0,0,0|2,0,1]=4 1478 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [1,0,0,0,0,0|2,0,1]=4 1479 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [1,0,0,0,0,0|2,0,1]=4 1480 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [1,0,0,0,0,0|3,0,0]=4 1481 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [1,0,0,0,0,0|3,0,0]=4 1482 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [1,0,0,0,0,0|2,0,1]=4 1483 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [1,0,0,0,0,0|2,0,1]=4 1484 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [1,0,0,0,0,0|2,0,1]=4 1485 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [1,0,0,0,0,0|2,0,1]=4 1486 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [1,0,0,0,0,0|2,0,1]=4 1487 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [1,0,0,0,0,0|2,0,1]=4 1488 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [1,0,0,0,0,0|2,0,1]=4 1489 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [1,0,0,0,0,0|2,0,1]=4 1490 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [1,0,0,0,0,0|2,0,1]=4 1491 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [1,0,0,0,0,0|2,0,1]=4 1492 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [1,0,0,0,0,0|2,0,1]=4 1493 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [1,0,0,0,0,0|2,0,1]=4 1494 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [1,0,0,0,0,0|1,0,2]=4 1495 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [1,0,0,0,0,0|1,0,2]=4 1496 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [1,0,0,0,0,0|2,0,1]=4 1497 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [1,0,0,0,0,0|2,0,1]=4 1498 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [1,0,0,0,0,0|1,0,1]=3 1499 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [1,0,0,0,0,0|1,0,1]=3 1500 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [1,0,0,0,0,0|2,0,1]=4 1501 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [1,0,0,0,0,0|2,0,1]=4 1502 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [1,0,0,0,0,0|2,0,1]=4 1503 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [1,0,0,0,0,0|2,0,1]=4 1504 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [1,0,0,0,0,0|2,0,1]=4 1505 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [1,0,0,0,0,0|2,0,1]=4 1506 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [1,0,0,0,0,0|2,0,1]=4 1507 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [1,0,0,0,0,0|2,0,1]=4 1508 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [1,0,0,0,0,0|2,0,1]=4 1509 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [1,0,0,0,0,0|1,0,1]=3 1510 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [1,0,0,0,0,0|1,0,1]=3 1511 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [1,0,0,0,0,0|2,0,1]=4 1512 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [1,0,0,0,0,0|2,0,1]=4 1513 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [1,0,0,0,0,0|2,0,1]=4 1514 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [1,0,0,0,0,0|2,0,1]=4 1515 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [1,0,0,0,0,0|2,0,1]=4 1516 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [1,0,0,0,0,0|2,0,1]=4 1517 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [1,0,0,0,0,0|2,0,1]=4 1518 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [1,0,0,0,0,0|2,0,1]=4 1519 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [1,0,0,0,0,0|2,0,1]=4 1520 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [1,0,0,0,0,0|2,0,1]=4 1521 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [1,0,0,0,0,0|1,0,1]=3 1522 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [1,0,0,0,0,0|2,0,1]=4 1523 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [1,0,0,0,0,0|2,0,1]=4 1524 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [1,0,0,0,0,0|2,0,1]=4 1525 B10R0.71 CCCOCCNCCCO 2230a_100161115042_100000230001 [1,0,0,0,0,0|2,0,1]=4 1526 B10R0.71 CCCOCCNCCCO 34a_100161115042_100000230001 [1,0,0,0,0,0|2,0,1]=4 1527 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [1,0,0,0,0,0|2,0,1]=4 1528 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [1,0,0,0,0,0|2,0,1]=4 1529 B10R0.71 CCCOCCSCCCO 62a_100011215043_100011215938 [1,0,0,0,0,0|2,0,1]=4 1530 B10R0.71 CCCOCCSCCCO 62a_100011215938_100011215043 [1,0,0,0,0,0|2,0,1]=4 1531 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [1,0,0,0,0,0|1,0,2]=4 1532 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [1,0,0,0,0,0|1,0,2]=4 1533 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [1,0,0,0,0,0|2,0,1]=4 1534 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [1,0,0,0,0,0|2,0,1]=4 1535 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [1,0,0,0,0,0|1,0,1]=3 1536 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [1,0,0,0,0,0|1,0,1]=3 1537 B10R0.71 CCCSCCNCCCO 2230a_100020603323_100000230001 [1,0,0,0,0,0|2,0,1]=4 1538 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [1,0,0,0,0,0|2,0,1]=4 1539 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [1,0,0,0,0,0|2,0,1]=4 1540 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [1,0,0,0,0,0|1,0,1]=3 1541 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [1,0,0,0,0,0|1,0,1]=3 1542 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [1,0,0,0,0,0|1,0,1]=3 1543 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [1,0,0,0,0,0|2,0,1]=4 1544 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [1,0,0,0,0,0|2,0,1]=4 1545 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [1,0,0,0,0,0|2,0,1]=4 1546 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [1,0,0,0,0,0|2,0,1]=4 1547 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [1,0,0,0,0,0|2,0,1]=4 1548 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [1,0,0,0,0,0|2,0,1]=4 1549 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [1,0,0,0,0,0|1,0,1]=3 1550 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [1,0,0,0,0,0|2,0,1]=4 1551 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [1,0,0,0,0,0|2,0,1]=4 1552 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [1,0,0,0,0,0|2,0,1]=4 1553 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [1,0,0,0,0,0|2,0,1]=4 1554 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [1,0,0,0,0,0|2,0,1]=4 1555 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [1,0,0,0,0,0|2,0,1]=4 1556 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [1,0,0,0,0,0|2,0,1]=4 1557 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [1,0,0,0,0,0|2,0,1]=4 1558 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [1,0,0,0,0,0|2,0,1]=4 1559 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [1,0,0,0,0,0|2,0,1]=4 1560 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [1,0,0,0,0,0|2,0,1]=4 1561 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [1,0,0,0,0,0|2,0,1]=4 1562 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [1,0,0,0,0,0|2,0,1]=4 1563 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [1,0,0,0,0,0|2,0,1]=4 1564 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [1,0,0,0,0,0|2,0,1]=4 1565 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [1,0,0,0,0,0|2,0,1]=4 1566 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [1,0,0,0,0,0|2,0,1]=4 1567 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [1,0,0,0,0,0|2,0,1]=4 1568 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [1,0,0,0,0,0|2,0,1]=4 1569 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [1,0,0,0,0,0|1,0,1]=3 1570 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [1,0,0,0,0,0|1,0,1]=3 1571 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [1,0,0,0,0,0|2,0,1]=4 1572 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [1,0,0,0,0,0|2,0,1]=4 1573 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [1,0,0,0,0,0|2,0,1]=4 1574 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [1,0,0,0,0,0|2,0,1]=4 1575 B10R0.71 CCSCCNCCCCO 2230a_100000106463_100000210776 [1,0,0,0,0,0|2,0,1]=4 1576 B10R0.71 CCSCCNCCCCO 2230a_100000750430_100000757381 [1,0,0,0,0,0|2,0,1]=4 1577 B10R0.71 CCSCCNCCCCO 34a_100000750430_100000757381 [1,0,0,0,0,0|2,0,1]=4 1578 B10R0.71 CCSCCOCCCCO 34a_100000212035_100011216708 [1,0,0,0,0,0|2,0,1]=4 1579 B10R0.71 CCSCCOCCCCO 7a_100000212035_100000210776 [1,0,0,0,0,0|2,0,1]=4 1580 B10R0.71 CCSCCSCCCCO 62a_100000210776_100000757381 [1,0,0,0,0,0|2,0,1]=4 1581 B10R0.71 CCSCCSCCCCO 62a_100000757381_100000210776 [1,0,0,0,0,0|2,0,1]=4 1582 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [1,0,0,0,0,0|1,0,1]=3 1583 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [1,0,0,0,0,0|1,0,1]=3 1584 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [1,0,0,0,0,0|1,0,1]=3 1585 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [1,0,0,0,0,0|1,0,1]=3 1586 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [1,0,0,0,0,0|1,0,1]=3 1587 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [1,0,0,0,0,0|2,0,1]=4 1588 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [1,0,0,0,0,0|2,0,1]=4 1589 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [1,0,0,0,0,0|2,0,1]=4 1590 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [1,0,0,0,0,0|2,0,1]=4 1591 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [1,0,0,0,0,0|2,0,1]=4 1592 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [1,0,0,0,0,0|2,0,1]=4 1593 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [1,0,0,0,0,0|2,0,1]=4 1594 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [1,0,0,0,0,0|1,0,1]=3 1595 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [1,0,0,0,0,0|3,0,0]=4 1596 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [1,0,0,0,0,0|3,0,0]=4 1597 B10R0.71 COCCCCCCSCF 62a_100011998445_100015361967 [1,0,0,0,0,0|3,0,0]=4 1598 B10R0.71 COCCCCCCSCF 62a_100015361967_100011998445 [1,0,0,0,0,0|3,0,0]=4 1599 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [1,0,0,0,0,0|2,0,1]=4 1600 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [1,0,0,0,0,0|2,0,1]=4 1601 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [1,0,0,0,0,0|2,0,1]=4 1602 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [1,0,0,0,0,0|2,0,1]=4 1603 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [1,0,0,0,0,0|2,0,1]=4 1604 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [1,0,0,0,0,0|2,0,1]=4 1605 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [1,0,0,0,0,0|2,0,1]=4 1606 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [1,0,0,0,0,0|2,0,1]=4 1607 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [1,0,0,0,0,0|2,0,1]=4 1608 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [1,0,0,0,0,0|2,0,1]=4 1609 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [1,0,0,0,0,0|2,0,1]=4 1610 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [1,0,0,0,0,0|2,0,1]=4 1611 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [1,0,0,0,0,0|2,0,1]=4 1612 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [1,0,0,0,0,0|2,0,1]=4 1613 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [1,0,0,0,0,0|2,0,1]=4 1614 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [1,0,0,0,0,0|2,0,1]=4 1615 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [1,0,0,0,0,0|2,0,1]=4 1616 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [1,0,0,0,0,0|2,0,1]=4 1617 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [1,0,0,0,0,0|2,0,1]=4 1618 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [1,0,0,0,0,0|2,0,1]=4 1619 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [1,0,0,0,0,0|1,0,1]=3 1620 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [1,0,0,0,0,0|1,0,1]=3 1621 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [1,0,0,0,0,0|2,0,1]=4 1622 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [1,0,0,0,0,0|2,0,1]=4 1623 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [1,0,0,0,0,0|2,0,1]=4 1624 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [1,0,0,0,0,0|2,0,1]=4 1625 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [1,0,0,0,0,0|2,0,1]=4 1626 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [1,0,0,0,0,0|2,0,1]=4 1627 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [1,0,0,0,0,0|2,0,1]=4 1628 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [1,0,0,0,0,0|2,0,1]=4 1629 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [1,0,0,0,0,0|2,0,1]=4 1630 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [1,0,0,0,0,0|2,0,1]=4 1631 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [1,0,0,0,0,0|2,0,1]=4 1632 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [1,0,0,0,0,0|2,0,1]=4 1633 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [1,0,0,0,0,0|2,0,1]=4 1634 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [1,0,0,0,0,0|2,0,1]=4 1635 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [1,0,0,0,0,0|2,0,1]=4 1636 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [1,0,0,0,0,0|2,0,1]=4 1637 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [1,0,0,0,0,0|3,0,0]=4 1638 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [1,0,0,0,0,0|3,0,0]=4 1639 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [1,0,0,0,0,0|3,0,0]=4 1640 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [1,0,0,0,0,0|2,0,1]=4 1641 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [1,0,0,0,0,0|2,0,1]=4 1642 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [1,0,0,0,0,0|2,0,1]=4 1643 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [1,0,0,0,0,0|2,0,1]=4 1644 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [1,0,0,0,0,0|2,0,1]=4 1645 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [1,0,0,0,0,0|2,0,1]=4 1646 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [1,0,0,0,0,0|2,0,1]=4 1647 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [1,0,0,0,0,0|2,0,1]=4 1648 B10R0.71 OCCCCCCNCCF 2230a_100000686447_100011217306 [1,0,0,0,0,0|2,0,1]=4 1649 B10R0.71 OCCCCCCNCCF 34a_100000686447_100011217306 [1,0,0,0,0,0|2,0,1]=4 1650 B10R0.71 OCCCCCCNCCF 34a_100000724931_100000766143 [1,0,0,0,0,0|2,0,1]=4 1651 B10R0.71 OCCCCCCNCCO 2230a_100000686447_100000211926 [1,0,0,0,0,0|2,0,1]=4 1652 B10R0.71 OCCCCCCNCCO 2230a_100016997473_100000766143 [1,0,0,0,0,0|2,0,1]=4 1653 B10R0.71 OCCCCCCNCCO 34a_100000686447_100000211926 [1,0,0,0,0,0|2,0,1]=4 1654 B10R0.71 OCCCCCCNCCO 34a_100016990907_100000766143 [1,0,0,0,0,0|2,0,1]=4 1655 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [1,0,0,0,0,0|2,0,1]=4 1656 B10R0.71 OCCCCCCSCCF 62a_100000766143_100011217306 [1,0,0,0,0,0|2,0,1]=4 1657 B10R0.71 OCCCCCCSCCF 62a_100011217306_100000766143 [1,0,0,0,0,0|2,0,1]=4 1658 B10R0.71 OCCCCCCSCCO 62a_100000211926_100000766143 [1,0,0,0,0,0|2,0,1]=4 1659 B10R0.71 OCCCCCCSCCO 62a_100000766143_100000211926 [1,0,0,0,0,0|2,0,1]=4 1660 B10R0.71 OCCCCCNCCCF 2230a_100000762737_100011934791 [1,0,0,0,0,0|2,0,1]=4 1661 B10R0.71 OCCCCCNCCCF 2230a_100015189416_100000746330 [1,0,0,0,0,0|2,0,1]=4 1662 B10R0.71 OCCCCCNCCCF 34a_100000762737_100011934791 [1,0,0,0,0,0|2,0,1]=4 1663 B10R0.71 OCCCCCNCCCF 34a_100015189416_100000746330 [1,0,0,0,0,0|2,0,1]=4 1664 B10R0.71 OCCCCCNCCCO 2230a_100000762737_100000230001 [1,0,0,0,0,0|2,0,1]=4 1665 B10R0.71 OCCCCCNCCCO 34a_100000762737_100000230001 [1,0,0,0,0,0|2,0,1]=4 1666 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [1,0,0,0,0,0|2,0,1]=4 1667 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [1,0,0,0,0,0|2,0,1]=4 1668 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [1,0,0,0,0,0|2,0,1]=4 1669 B10R0.71 OCCCCCSCCCF 62a_100000746330_100011934791 [1,0,0,0,0,0|2,0,1]=4 1670 B10R0.71 OCCCCCSCCCF 62a_100011934791_100000746330 [1,0,0,0,0,0|2,0,1]=4 1671 B10R0.71 OCCCCCSCCCO 62a_100000746330_100011215043 [1,0,0,0,0,0|2,0,1]=4 1672 B10R0.71 OCCCCCSCCCO 62a_100011215043_100000746330 [1,0,0,0,0,0|2,0,1]=4 1673 B10R0.71 OCCCCNCCCCF 2230a_100000750430_100000729493 [1,0,0,0,0,0|2,0,1]=4 1674 B10R0.71 OCCCCNCCCCF 34a_100000750430_100000729493 [1,0,0,0,0,0|2,0,1]=4 1675 B10R0.71 OCCCCNCCCCO 2230a_100000750430_100000210776 [1,0,0,0,0,0|2,0,1]=4 1676 B10R0.71 OCCCCNCCCCO 34a_100000750430_100011216708 [1,0,0,0,0,0|2,0,1]=4 1677 B10R0.71 OCCCCOCCCCBr 34a_100011216708_100011216708 [1,0,0,0,0,0|2,0,1]=4 1678 B10R0.71 OCCCCOCCCCCl 34a_100000210776_100011216708 [1,0,0,0,0,0|2,0,1]=4 1679 B10R0.71 OCCCCOCCCCCl 7a_100000210776_100000210776 [1,0,0,0,0,0|2,0,1]=4 1680 B10R0.71 OCCCCOCCCCF 34a_100011995726_100011216708 [1,0,0,0,0,0|2,0,1]=4 1681 B10R0.71 OCCCCOCCCCF 7a_100011995726_100000210776 [1,0,0,0,0,0|2,0,1]=4 1682 B10R0.71 OCCCCOCCCCI 34a_200012148704_100011216708 [1,0,0,0,0,0|2,0,1]=4 1683 B10R0.71 OCCCCSCCCCF 62a_100000210776_100000729493 [1,0,0,0,0,0|2,0,1]=4 1684 B10R0.71 OCCCCSCCCCF 62a_100000729493_100000210776 [1,0,0,0,0,0|2,0,1]=4 1685 B10R0.71 OCCCCSCCCCO 62a_100000210776_100000210776 [1,0,0,0,0,0|2,0,1]=4 1686 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [1,0,0,0,0,0|2,0,1]=4 1687 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [1,0,0,0,0,0|2,0,1]=4 1688 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [1,0,0,0,0,0|2,0,1]=4 1689 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [1,0,0,0,0,0|2,0,1]=4 1690 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [1,0,0,0,0,0|2,0,1]=4 1691 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [1,0,0,0,0,0|2,0,1]=4 1692 B10R0.71 OCCCSCCCCCF 62a_100000729378_100011215043 [1,0,0,0,0,0|2,0,1]=4 1693 B10R0.71 OCCCSCCCCCF 62a_100011215043_100000729378 [1,0,0,0,0,0|2,0,1]=4 1694 B10R0.71 OCCNCCCCCCF 2230a_100016997473_100015922095 [1,0,0,0,0,0|2,0,1]=4 1695 B10R0.71 OCCNCCCCCCF 34a_100016990907_100015922095 [1,0,0,0,0,0|2,0,1]=4 1696 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [1,0,0,0,0,0|2,0,1]=4 1697 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [1,0,0,0,0,0|2,0,1]=4 1698 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [1,0,0,0,0,0|2,0,1]=4 1699 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [1,0,0,0,0,0|2,0,1]=4 1700 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [1,0,0,0,0,0|2,0,1]=4 1701 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [1,0,0,0,0,0|2,0,1]=4 1702 B10R0.71 OCCSCCCCCCF 62a_100000211926_100015922095 [1,0,0,0,0,0|2,0,1]=4 1703 B10R0.71 OCCSCCCCCCF 62a_100015922095_100000211926 [1,0,0,0,0,0|2,0,1]=4 1704 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [1,0,0,0,0,0|1,0,1]=3 1705 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [1,0,0,0,0,0|1,0,1]=3 1706 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [1,0,0,0,0,0|2,0,1]=4 1707 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [1,0,0,0,0,0|2,0,1]=4 1708 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [1,0,0,0,0,0|2,0,1]=4 1709 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [1,0,0,0,0,0|2,0,1]=4 1710 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [1,0,0,0,0,0|2,0,1]=4 1711 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [1,0,0,0,0,0|1,0,1]=3 1712 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [1,0,0,0,0,0|1,0,1]=3 1713 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100000210188_100000184674 [0,1,0,0,0,0|1,0,2]=4 1714 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100011220946_100000210759 [0,1,0,0,0,0|1,0,2]=4 1715 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100000034748_100000211926 [0,1,0,0,0,0|0,0,3]=4 1716 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100011216618_100012276617 [0,1,0,0,0,0|0,0,3]=4 1717 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [0,1,0,0,0,0|1,0,2]=4 1718 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [0,1,0,0,0,0|1,0,2]=4 1719 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011216618_100011215473 [0,1,0,0,0,0|0,0,3]=4 1720 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011809334_100000211926 [0,1,0,0,0,0|0,0,3]=4 1721 B12R0.1 CC#CC(=O)CCCCCCCC 1458a_100000763181_100000210759 [0,1,0,0,0,0|1,0,2]=4 1722 B12R0.1 CC/C=C/CCCOC(C)CCC 34a_100016287902_100000766640 [0,1,0,0,0,0|2,0,0]=3 1723 B12R0.1 CC/C=C/CCCOC(C)CCC 7a_100016287902_100000766640 [0,1,0,0,0,0|2,0,0]=3 1724 B12R0.1 CC/C=C/CCCOC(C)CCO 34a_100016287902_100009893172 [0,1,0,0,0,0|3,0,0]=4 1725 B12R0.1 CC/C=C/CCCOC(C)CCO 7a_100016287902_100009893172 [0,1,0,0,0,0|3,0,0]=4 1726 B12R0.1 CC/C=C/CCCOC(C)COC 34a_100016287902_100000765312 [0,1,0,0,0,0|3,0,0]=4 1727 B12R0.1 CC/C=C/CCCOC(C)COC 7a_100016287902_100000765312 [0,1,0,0,0,0|3,0,0]=4 1728 B12R0.1 CC/C=C\CCNCC(O)COC 2230a_100000756049_100015370543 [0,1,0,0,0,0|3,0,0]=4 1729 B12R0.1 CC/C=C\CCNCC(O)COC 34a_100000756049_100015370543 [0,1,0,0,0,0|3,0,0]=4 1730 B12R0.1 CC/C=C\CCOCC(=O)CCC 7a_100016288707_100000747444 [0,1,0,0,0,0|2,0,1]=4 1731 B12R0.1 CC/C=C\CCOCC(C)CCC 34a_100000688023_100015370543 [0,1,0,0,0,0|2,0,0]=3 1732 B12R0.1 CC/C=C\CCOCC(C)CCC 34a_100016288707_100011216630 [0,1,0,0,0,0|2,0,0]=3 1733 B12R0.1 CC/C=C\CCOCC(C)CCC 7a_100000688023_100015370543 [0,1,0,0,0,0|2,0,0]=3 1734 B12R0.1 CC/C=C\CCOCC(C)CCC 7a_100016288707_100011216630 [0,1,0,0,0,0|2,0,0]=3 1735 B12R0.1 CC/C=C\CCOCC(C)CCN 34a_106354213184_100015370543 [0,1,0,0,0,0|3,0,0]=4 1736 B12R0.1 CC/C=C\CCOCC(N)COC 34a_100000724102_100015370543 [0,1,0,0,0,0|3,0,0]=4 1737 B12R0.1 CC/C=C\CCOCC(O)COC 34a_100016288707_100011215053 [0,1,0,0,0,0|3,0,0]=4 1738 B12R0.1 CC/C=C\CCOCC(O)COC 7a_100016288707_100011215053 [0,1,0,0,0,0|3,0,0]=4 1739 B12R0.1 CC/C=C\CCOC[C@@H](N)CCC 34a_100000732646_100015370543 [0,1,0,0,0,0|2,0,0]=3 1740 B12R0.1 CC/C=C\CCSCC(=O)CCC 62a_100000747444_100015370543 [0,1,0,0,0,0|2,0,1]=4 1741 B12R0.1 CC/C=C\CCSCC(=O)CCC 62a_100015370543_100000747444 [0,1,0,0,0,0|2,0,1]=4 1742 B12R0.1 CC/C=C\CCSCC(C)CCC 62a_100011216630_100015370543 [0,1,0,0,0,0|2,0,0]=3 1743 B12R0.1 CC/C=C\CCSCC(C)CCC 62a_100015370543_100011216630 [0,1,0,0,0,0|2,0,0]=3 1744 B12R0.1 CC/C=C\CCSCC(O)COC 62a_100011215053_100015370543 [0,1,0,0,0,0|3,0,0]=4 1745 B12R0.1 CC/C=C\CCSCC(O)COC 62a_100015370543_100011215053 [0,1,0,0,0,0|3,0,0]=4 1746 B12R0.1 CC/C=C\COCCC(C)CCC 34a_100011217855_100103147603 [0,1,0,0,0,0|2,0,0]=3 1747 B12R0.1 CC/C=C\COCCC(C)CCC 7a_100011217855_100103147603 [0,1,0,0,0,0|2,0,0]=3 1748 B12R0.1 CC/C=C\COCC[C@@H](N)CCC 34a_100015193777_100103147603 [0,1,0,0,0,0|2,0,0]=3 1749 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [0,1,0,0,0,0|1,0,1]=3 1750 B12R0.1 CC=CC(=O)CCCCCCCO 1458a_100000210699_100000760002 [0,1,0,0,0,0|2,0,1]=4 1751 B12R0.1 CC=CC(=O)CCCCCCOC 1458a_100000210699_100011998445 [0,1,0,0,0,0|2,0,1]=4 1752 B12R0.1 CC=CC(=O)NCCCCCCC 11a_100000229938_100000210699 [0,1,0,0,0,0|2,0,1]=4 1753 B12R0.1 CC=CC(=O)NCCCCCCC 1626a_100000229938_100000210699 [0,1,0,0,0,0|2,0,1]=4 1754 B12R0.1 CC=CC(=O)NCCCCCCC 240690a_100000229938_100000210699 [0,1,0,0,0,0|2,0,1]=4 1755 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,1,0,0,0,0|0,0,3]=4 1756 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,1,0,0,0,0|0,0,3]=4 1757 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [0,1,0,0,0,0|2,0,1]=4 1758 B12R0.1 CCCC(C)CCCOCCCO 34a_100011713154_100000230001 [0,1,0,0,0,0|1,0,2]=4 1759 B12R0.1 CCCC(C)CCCOCCCO 7a_100011713154_100011215043 [0,1,0,0,0,0|1,0,2]=4 1760 B12R0.1 CCCC(C)CCOCC#CCO 34a_100011217855_200000047223 [0,1,0,0,0,0|1,0,2]=4 1761 B12R0.1 CCCC(C)CCOCC#CCO 7a_100011217855_200000047223 [0,1,0,0,0,0|1,0,2]=4 1762 B12R0.1 CCCC(C)CCOCCCCO 34a_100011217855_100011216708 [0,1,0,0,0,0|1,0,2]=4 1763 B12R0.1 CCCC(C)CCOCCCCO 7a_100011217855_100000210776 [0,1,0,0,0,0|1,0,2]=4 1764 B12R0.1 CCCC(C)CNCCCCCO 2230a_100000762737_100011216630 [0,1,0,0,0,0|1,0,2]=4 1765 B12R0.1 CCCC(C)CNCCCCCO 270004a_100000762737_100000243154 [0,1,0,0,0,0|1,0,2]=4 1766 B12R0.1 CCCC(C)CNCCCCCO 34a_100000762737_100011216630 [0,1,0,0,0,0|1,0,2]=4 1767 B12R0.1 CCCC(C)CNCCOCCO 2230a_100000211614_100011216630 [0,1,0,0,0,0|2,0,1]=4 1768 B12R0.1 CCCC(C)CNCCOCCO 270004a_100000211614_100000243154 [0,1,0,0,0,0|2,0,1]=4 1769 B12R0.1 CCCC(C)CNCCOCCO 34a_100000211614_100011216630 [0,1,0,0,0,0|2,0,1]=4 1770 B12R0.1 CCCC(C)CNCCSCCO 2230a_100011219999_100011216630 [0,1,0,0,0,0|2,0,1]=4 1771 B12R0.1 CCCC(C)CNCCSCCO 270004a_100011219999_100000243154 [0,1,0,0,0,0|2,0,1]=4 1772 B12R0.1 CCCC(C)COCCCCCO 34a_100000688023_100000746330 [0,1,0,0,0,0|1,0,2]=4 1773 B12R0.1 CCCC(C)COCCCCCO 7a_100000688023_100000746330 [0,1,0,0,0,0|1,0,2]=4 1774 B12R0.1 CCCC(C)COCCOCCO 34a_100000688023_100000692535 [0,1,0,0,0,0|2,0,1]=4 1775 B12R0.1 CCCC(C)COCCOCCO 7a_100000688023_100011215305 [0,1,0,0,0,0|2,0,1]=4 1776 B12R0.1 CCCC(C)CSCCCCCO 62a_100000746330_100011216630 [0,1,0,0,0,0|1,0,2]=4 1777 B12R0.1 CCCC(C)CSCCCCCO 62a_100011216630_100000746330 [0,1,0,0,0,0|1,0,2]=4 1778 B12R0.1 CCCC(C)CSCCOCCO 62a_100011215305_100011216630 [0,1,0,0,0,0|2,0,1]=4 1779 B12R0.1 CCCC(C)CSCCOCCO 62a_100011216630_100011215305 [0,1,0,0,0,0|2,0,1]=4 1780 B12R0.1 CCCC(C)NCCCCCCO 2230a_100000686447_100000766640 [0,1,0,0,0,0|1,0,2]=4 1781 B12R0.1 CCCC(C)NCCCCCCO 2230a_100000741246_100000766143 [0,1,0,0,0,0|1,0,2]=4 1782 B12R0.1 CCCC(C)NCCCCCCO 270004a_100000686447_100000211909 [0,1,0,0,0,0|1,0,2]=4 1783 B12R0.1 CCCC(C)NCCCCCCO 34a_100000686447_100000766640 [0,1,0,0,0,0|1,0,2]=4 1784 B12R0.1 CCCC(C)OCCCCCCO 34a_100000764384_100000766143 [0,1,0,0,0,0|1,0,2]=4 1785 B12R0.1 CCCC(C)OCCCCCCO 7a_100000764384_100000766143 [0,1,0,0,0,0|1,0,2]=4 1786 B12R0.1 CCCC(C)SCCCCCCO 62a_100000766143_100000766640 [0,1,0,0,0,0|1,0,2]=4 1787 B12R0.1 CCCC(C)SCCCCCCO 62a_100000766640_100000766143 [0,1,0,0,0,0|1,0,2]=4 1788 B12R0.1 CCCCC/C=C/CC(=O)CCO 1458a_100020675968_100000211926 [0,1,0,0,0,0|0,0,3]=4 1789 B12R0.1 CCCCCC#CCC(=O)CCO 1458a_100011216618_100009816472 [0,1,0,0,0,0|0,0,3]=4 1790 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [0,1,0,0,0,0|0,0,3]=4 1791 B12R0.1 CCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210759 [0,1,0,0,0,0|1,0,1]=3 1792 B12R0.1 CCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210759 [0,1,0,0,0,0|1,0,1]=3 1793 B12R0.1 CCCCCCCCC(=O)C=CI 1458a_100016256311_100000210759 [0,1,0,0,0,0|1,0,1]=3 1794 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100000210188_100011214920 [0,1,0,0,0,0|1,0,2]=4 1795 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100051588842_100000210759 [0,1,0,0,0,0|1,0,2]=4 1796 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,1,0,0,0,0|1,0,1]=3 1797 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,1,0,0,0,0|1,0,1]=3 1798 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [0,1,0,0,0,0|1,0,1]=3 1799 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,1,0,0,0,0|0,0,1]=2 1800 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,1,0,0,0,0|0,0,1]=2 1801 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,1,0,0,0,0|2,0,1]=4 1802 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [0,1,0,0,0,0|2,0,1]=4 1803 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [0,1,0,0,0,0|2,0,0]=3 1804 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [0,1,0,0,0,0|2,0,0]=3 1805 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [0,1,0,0,0,0|2,0,0]=3 1806 B12R0.1 CCCCCCCCC(=O)NNC 22a_100016993582_100000210188 [0,1,0,0,0,0|3,0,0]=4 1807 B12R0.1 CCCCCCCCC(C)NCC 270004a_100015525214_100011216694 [0,1,0,0,0,0|2,0,1]=4 1808 B12R0.1 CCCCCCCCC(C)OCC 34a_100000210740_100000210202 [0,1,0,0,0,0|2,0,1]=4 1809 B12R0.1 CCCCCCCCC(C)OCC 7a_100000210740_100000210202 [0,1,0,0,0,0|2,0,1]=4 1810 B12R0.1 CCCCCCCCC(C)OCF 34a_100000210740_100015361967 [0,1,0,0,0,0|2,0,1]=4 1811 B12R0.1 CCCCCCCCC(C)OCF 7a_100000210740_100015361967 [0,1,0,0,0,0|2,0,1]=4 1812 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000207567_100000210303 [0,1,0,0,0,0|2,0,1]=4 1813 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000747261_100000210759 [0,1,0,0,0,0|2,0,1]=4 1814 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000207567_100000210303 [0,1,0,0,0,0|2,0,1]=4 1815 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000747261_100000210759 [0,1,0,0,0,0|2,0,1]=4 1816 B12R0.1 CCCCCCCCN(C)CCF 2230a_100000207567_100011217306 [0,1,0,0,0,0|2,0,1]=4 1817 B12R0.1 CCCCCCCCN(C)CCF 269982a_100000207567_100011217306 [0,1,0,0,0,0|2,0,1]=4 1818 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000207567_100000211926 [0,1,0,0,0,0|1,0,1]=3 1819 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000210263_100000210759 [0,1,0,0,0,0|1,0,1]=3 1820 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000207567_100000211926 [0,1,0,0,0,0|1,0,1]=3 1821 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000210263_100000210759 [0,1,0,0,0,0|1,0,1]=3 1822 B12R0.1 CCCCCCCNC(=O)C=CBr 1626a_100000229938_100016273825 [0,1,0,0,0,0|2,0,1]=4 1823 B12R0.1 CCCCCCCNC(=O)C=CBr 240690a_100000229938_100016273825 [0,1,0,0,0,0|2,0,1]=4 1824 B12R0.1 CCCCCCCNC(=O)C=CCl 11a_100000229938_200016279998 [0,1,0,0,0,0|2,0,1]=4 1825 B12R0.1 CCCCCCCNC(=O)C=CCl 1626a_100000229938_200016279998 [0,1,0,0,0,0|2,0,1]=4 1826 B12R0.1 CCCCCCCNC(=O)C=CCl 240690a_100000229938_200016279998 [0,1,0,0,0,0|2,0,1]=4 1827 B12R0.1 CCCCCCCNC(=O)C=CI 1626a_100000229938_100016256311 [0,1,0,0,0,0|2,0,1]=4 1828 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [0,1,0,0,0,0|2,0,1]=4 1829 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [0,1,0,0,0,0|2,0,1]=4 1830 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [0,1,0,0,0,0|2,0,1]=4 1831 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [0,1,0,0,0,0|2,0,1]=4 1832 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [0,1,0,0,0,0|1,0,1]=3 1833 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [0,1,0,0,0,0|3,0,0]=4 1834 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [0,1,0,0,0,0|3,0,0]=4 1835 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [0,1,0,0,0,0|3,0,0]=4 1836 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [0,1,0,0,0,0|3,0,0]=4 1837 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [0,1,0,0,0,0|3,0,0]=4 1838 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [0,1,0,0,0,0|3,0,0]=4 1839 B12R0.1 CCCCCCCNC(C)CCO 2230a_100000229938_100009893172 [0,1,0,0,0,0|1,0,2]=4 1840 B12R0.1 CCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210681 [0,1,0,0,0,0|1,0,2]=4 1841 B12R0.1 CCCCCCCN[C@H](C)CCO 34a_100000706166_100000210614 [0,1,0,0,0,0|1,0,2]=4 1842 B12R0.1 CCCCCCCOC(C)CCO 34a_100000210272_100009893172 [0,1,0,0,0,0|1,0,2]=4 1843 B12R0.1 CCCCCCCOC(C)CCO 7a_100000210272_100009893172 [0,1,0,0,0,0|1,0,2]=4 1844 B12R0.1 CCCCCCCSC(C)CCO 62a_100000210614_100009893172 [0,1,0,0,0,0|1,0,2]=4 1845 B12R0.1 CCCCCCCSC(C)CCO 62a_100009893172_100000210316 [0,1,0,0,0,0|1,0,2]=4 1846 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [0,1,0,0,0,0|2,0,1]=4 1847 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [0,1,0,0,0,0|3,0,0]=4 1848 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [0,1,0,0,0,0|3,0,0]=4 1849 B12R0.1 CCCCCCNCC(=O)NCO 2230a_100000210581_100000185155 [0,1,0,0,0,0|2,0,0]=3 1850 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [0,1,0,0,0,0|3,0,0]=4 1851 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,1,0,0,0,0|2,0,1]=4 1852 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [0,1,0,0,0,0|3,0,0]=4 1853 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [0,1,0,0,0,0|3,0,0]=4 1854 B12R0.1 CCCCCCOCC(=O)NCO 34a_100000210259_100000185155 [0,1,0,0,0,0|2,0,0]=3 1855 B12R0.1 CCCCCCOCC(=O)NCO 7a_100000210259_100000185155 [0,1,0,0,0,0|2,0,0]=3 1856 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [0,1,0,0,0,0|3,0,0]=4 1857 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [0,1,0,0,0,0|3,0,0]=4 1858 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [0,1,0,0,0,0|2,0,1]=4 1859 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [0,1,0,0,0,0|2,0,1]=4 1860 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [0,1,0,0,0,0|3,0,0]=4 1861 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [0,1,0,0,0,0|3,0,0]=4 1862 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000185155_100000210757 [0,1,0,0,0,0|2,0,0]=3 1863 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000210314_100000185155 [0,1,0,0,0,0|2,0,0]=3 1864 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [0,1,0,0,0,0|3,0,0]=4 1865 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [0,1,0,0,0,0|3,0,0]=4 1866 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [0,1,0,0,0,0|3,0,0]=4 1867 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [0,1,0,0,0,0|3,0,0]=4 1868 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [0,1,0,0,0,0|3,0,0]=4 1869 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [0,1,0,0,0,0|3,0,0]=4 1870 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [0,1,0,0,0,0|3,0,0]=4 1871 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [0,1,0,0,0,0|3,0,0]=4 1872 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [0,1,0,0,0,0|3,0,0]=4 1873 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [0,1,0,0,0,0|3,0,0]=4 1874 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [0,1,0,0,0,0|3,0,0]=4 1875 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [0,1,0,0,0,0|3,0,0]=4 1876 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [0,1,0,0,0,0|3,0,0]=4 1877 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [0,1,0,0,0,0|3,0,0]=4 1878 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [0,1,0,0,0,0|3,0,0]=4 1879 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [0,1,0,0,0,0|3,0,0]=4 1880 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [0,1,0,0,0,0|3,0,0]=4 1881 B12R0.1 CCCCOCSCC(=O)NCO 62a_100000185155_100011995733 [0,1,0,0,0,0|3,0,0]=4 1882 B12R0.1 CCCCOCSCC(=O)NCO 62a_100011995733_100000185155 [0,1,0,0,0,0|3,0,0]=4 1883 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [0,1,0,0,0,0|3,0,0]=4 1884 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [0,1,0,0,0,0|3,0,0]=4 1885 B12R0.1 CCCCSCCNC(=O)CCO 240690a_100025743550_100011216618 [0,1,0,0,0,0|2,0,1]=4 1886 B12R0.1 CCCN(C)CCCCCCCO 2230a_100000747261_100000760002 [0,1,0,0,0,0|1,0,2]=4 1887 B12R0.1 CCCN(C)CCCCCCCO 269982a_100000747261_100000760002 [0,1,0,0,0,0|1,0,2]=4 1888 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [0,1,0,0,0,0|3,0,0]=4 1889 B12R0.1 CCCOCCCNC(=O)CCO 240690a_100011217757_100011216618 [0,1,0,0,0,0|2,0,1]=4 1890 B12R0.1 CCCOCCNCC(=O)NCO 2230a_100161115042_100000185155 [0,1,0,0,0,0|3,0,0]=4 1891 B12R0.1 CCCOCCNCC(=O)NCO 34a_100161115042_100000185155 [0,1,0,0,0,0|3,0,0]=4 1892 B12R0.1 CCCOCCOCC(=O)NCO 34a_100000752267_100000185155 [0,1,0,0,0,0|3,0,0]=4 1893 B12R0.1 CCCOCCOCC(=O)NCO 7a_100000752267_100000185155 [0,1,0,0,0,0|3,0,0]=4 1894 B12R0.1 CCCOCCSCC(=O)NCO 62a_100000185155_100011215938 [0,1,0,0,0,0|3,0,0]=4 1895 B12R0.1 CCCOCCSCC(=O)NCO 62a_100011215938_100000185155 [0,1,0,0,0,0|3,0,0]=4 1896 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [0,1,0,0,0,0|3,0,0]=4 1897 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [0,1,0,0,0,0|3,0,0]=4 1898 B12R0.1 CCCSCCNCC(=O)NCO 2230a_100020603323_100000185155 [0,1,0,0,0,0|3,0,0]=4 1899 B12R0.1 CCCSCCOCC(=O)NCO 34a_200000230433_100000185155 [0,1,0,0,0,0|3,0,0]=4 1900 B12R0.1 CCCSCCOCC(=O)NCO 7a_200000230433_100000185155 [0,1,0,0,0,0|3,0,0]=4 1901 B12R0.1 CCC[C@H](N)CCOCC#CCO 34a_100015193777_200000047223 [0,1,0,0,0,0|1,0,2]=4 1902 B12R0.1 CCC[C@H](N)CCOCCCCO 34a_100015193777_100011216708 [0,1,0,0,0,0|1,0,2]=4 1903 B12R0.1 CCC[C@H](N)COCCCCCO 34a_100000732646_100000746330 [0,1,0,0,0,0|1,0,2]=4 1904 B12R0.1 CCC[C@H](N)COCCOCCO 34a_100000732646_100000692535 [0,1,0,0,0,0|2,0,1]=4 1905 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [0,1,0,0,0,0|3,0,0]=4 1906 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [0,1,0,0,0,0|3,0,0]=4 1907 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [0,1,0,0,0,0|3,0,0]=4 1908 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [0,1,0,0,0,0|3,0,0]=4 1909 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [0,1,0,0,0,0|3,0,0]=4 1910 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [0,1,0,0,0,0|3,0,0]=4 1911 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [0,1,0,0,0,0|3,0,0]=4 1912 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [0,1,0,0,0,0|3,0,0]=4 1913 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [0,1,0,0,0,0|3,0,0]=4 1914 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [0,1,0,0,0,0|3,0,0]=4 1915 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [0,1,0,0,0,0|3,0,0]=4 1916 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [0,1,0,0,0,0|3,0,0]=4 1917 B12R0.1 CCOCCCNCC(=O)NCO 2230a_100000210961_100000185155 [0,1,0,0,0,0|3,0,0]=4 1918 B12R0.1 CCOCCCNCC(=O)NCO 34a_100000210961_100000185155 [0,1,0,0,0,0|3,0,0]=4 1919 B12R0.1 CCOCCCOCC(=O)NCO 34a_100000757476_100000185155 [0,1,0,0,0,0|3,0,0]=4 1920 B12R0.1 CCOCCCOCC(=O)NCO 7a_100000757476_100000185155 [0,1,0,0,0,0|3,0,0]=4 1921 B12R0.1 CCOCCCSCC(=O)NCO 62a_100000185155_100012232248 [0,1,0,0,0,0|3,0,0]=4 1922 B12R0.1 CCOCCCSCC(=O)NCO 62a_100012232248_100000185155 [0,1,0,0,0,0|3,0,0]=4 1923 B12R0.1 CCOCCOCCC(=O)CCO 1458a_100011216618_100011211534 [0,1,0,0,0,0|2,0,1]=4 1924 B12R0.1 CCSCCCOCC(=O)NCO 34a_100011216438_100000185155 [0,1,0,0,0,0|3,0,0]=4 1925 B12R0.1 CCSCCCOCC(=O)NCO 7a_100011216438_100000185155 [0,1,0,0,0,0|3,0,0]=4 1926 B12R0.1 CN(CCO)CCCCCCCO 2230a_100000210263_100000760002 [0,1,0,0,0,0|2,0,1]=4 1927 B12R0.1 CN(CCO)CCCCCCCO 269982a_100000210263_100000760002 [0,1,0,0,0,0|2,0,1]=4 1928 B12R0.1 COCCCCCCC(=O)C=CBr 1458a_100016273825_100011998445 [0,1,0,0,0,0|2,0,1]=4 1929 B12R0.1 COCCCCCCC(=O)C=CCl 1458a_200016279998_100011998445 [0,1,0,0,0,0|2,0,1]=4 1930 B12R0.1 COCCCCCCC(=O)C=CI 1458a_100016256311_100011998445 [0,1,0,0,0,0|2,0,1]=4 1931 B12R0.1 COCCCCCCC(=O)CCO 1458a_100011216618_100011998445 [0,1,0,0,0,0|1,0,1]=3 1932 B12R0.1 COCCCCCCN(C)CCO 2230a_100000210263_100011998445 [0,1,0,0,0,0|2,0,1]=4 1933 B12R0.1 COCCCCCCN(C)CCO 269982a_100000210263_100011998445 [0,1,0,0,0,0|2,0,1]=4 1934 B12R0.1 COCCCCCNC(=O)CCO 240690a_100000747528_100011216618 [0,1,0,0,0,0|2,0,1]=4 1935 B12R0.1 COCCCCOCC(=O)NCO 34a_100000740925_100000185155 [0,1,0,0,0,0|3,0,0]=4 1936 B12R0.1 COCCCCSCC(=O)NCO 62a_100000185155_100000730899 [0,1,0,0,0,0|3,0,0]=4 1937 B12R0.1 COCCCCSCC(=O)NCO 62a_100000730899_100000185155 [0,1,0,0,0,0|3,0,0]=4 1938 B12R0.1 COCCOCCCC(=O)CCO 1458a_100011216618_100011216529 [0,1,0,0,0,0|2,0,1]=4 1939 B12R0.1 CSCCCCOCC(=O)NCO 34a_100011217163_100000185155 [0,1,0,0,0,0|3,0,0]=4 1940 B12R0.1 CSCCCCOCC(=O)NCO 7a_100011217163_100000185155 [0,1,0,0,0,0|3,0,0]=4 1941 B12R0.1 N#CCCCCCCC(=O)CCO 1458a_100011216618_100009813337 [0,1,0,0,0,0|1,0,2]=4 1942 B12R0.1 NCCCCCOCC(=O)NCO 34a_100000762737_100000185155 [0,1,0,0,0,0|3,0,0]=4 1943 B12R0.1 O=C(C=CBr)CCCCCCCO 1458a_100016273825_100000760002 [0,1,0,0,0,0|2,0,1]=4 1944 B12R0.1 O=C(C=CCl)CCCCCCCO 1458a_200016279998_100000760002 [0,1,0,0,0,0|2,0,1]=4 1945 B12R0.1 O=C(C=CI)CCCCCCCO 1458a_100016256311_100000760002 [0,1,0,0,0,0|2,0,1]=4 1946 B12R0.1 O=C(CCF)CCCCCCCO 1458a_100011219782_100011217306 [0,1,0,0,0,0|2,0,1]=4 1947 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011216618_100000760002 [0,1,0,0,0,0|1,0,1]=3 1948 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011219782_100000211926 [0,1,0,0,0,0|1,0,1]=3 1949 B12R0.1 O=C(CCO)NCCCCCCO 240690a_100000686447_100011216618 [0,1,0,0,0,0|2,0,1]=4 1950 B12R0.1 O=C(CNCCCCCO)NCO 2230a_100000762737_100000185155 [0,1,0,0,0,0|3,0,0]=4 1951 B12R0.1 O=C(CNCCCCCO)NCO 34a_100000762737_100000185155 [0,1,0,0,0,0|3,0,0]=4 1952 B12R0.1 O=C(COCCCCCBr)NCO 34a_100000746331_100000185155 [0,1,0,0,0,0|3,0,0]=4 1953 B12R0.1 O=C(COCCCCCBr)NCO 7a_100000746331_100000185155 [0,1,0,0,0,0|3,0,0]=4 1954 B12R0.1 O=C(COCCCCCCl)NCO 34a_100000746330_100000185155 [0,1,0,0,0,0|3,0,0]=4 1955 B12R0.1 O=C(COCCCCCCl)NCO 7a_100000746330_100000185155 [0,1,0,0,0,0|3,0,0]=4 1956 B12R0.1 O=C(COCCCCCI)NCO 34a_200012148887_100000185155 [0,1,0,0,0,0|3,0,0]=4 1957 B12R0.1 O=C(COCCCCCI)NCO 7a_200012148887_100000185155 [0,1,0,0,0,0|3,0,0]=4 1958 B12R0.1 O=C(CSCCCCCF)NCO 62a_100000185155_100000729378 [0,1,0,0,0,0|3,0,0]=4 1959 B12R0.1 O=C(CSCCCCCF)NCO 62a_100000729378_100000185155 [0,1,0,0,0,0|3,0,0]=4 1960 B12R0.1 O=C(CSCCCCCO)NCO 62a_100000185155_100000746330 [0,1,0,0,0,0|3,0,0]=4 1961 B12R0.1 O=C(CSCCCCCO)NCO 62a_100000746330_100000185155 [0,1,0,0,0,0|3,0,0]=4 1962 B12R0.5 C#CCCCCCCCNCCO 2230a_100016997473_100153394163 [0,1,0,0,0,0|1,0,2]=4 1963 B12R0.5 C#CCCCCCCCNCCO 34a_100016990907_100153394163 [0,1,0,0,0,0|1,0,2]=4 1964 B12R0.5 C#CCCCCCCCOCCO 34a_100000054614_100000211926 [0,1,0,0,0,0|1,0,2]=4 1965 B12R0.5 C#CCCCCCCCOCCO 7a_100000054614_100000211926 [0,1,0,0,0,0|1,0,2]=4 1966 B12R0.5 C#CCCCCCCCSCCO 62a_100000211926_100153394163 [0,1,0,0,0,0|1,0,2]=4 1967 B12R0.5 C#CCCCCCCCSCCO 62a_100153394163_100000211926 [0,1,0,0,0,0|1,0,2]=4 1968 B12R0.5 C#CCCCCCOC/C=C\CC 34a_100000766912_100103147603 [0,1,0,0,0,0|1,0,2]=4 1969 B12R0.5 C#CCCCCCOC/C=C\CC 34a_100016268518_100012094781 [0,1,0,0,0,0|1,0,2]=4 1970 B12R0.5 C#CCCCCCOC/C=C\CC 7a_100000766912_100103147603 [0,1,0,0,0,0|1,0,2]=4 1971 B12R0.5 C#CCCCCCSC/C=C\CC 62a_100012094781_100103147603 [0,1,0,0,0,0|1,0,2]=4 1972 B12R0.5 C#CCCCCCSC/C=C\CC 62a_100103147603_100012094781 [0,1,0,0,0,0|1,0,2]=4 1973 B12R0.5 C#CCCCCNCC/C=C\CC 2230a_100000706060_100015370543 [0,1,0,0,0,0|1,0,2]=4 1974 B12R0.5 C#CCCCCNCC/C=C\CC 34a_100000706060_100015370543 [0,1,0,0,0,0|1,0,2]=4 1975 B12R0.5 C#CCCCCOCC/C=C\CC 34a_100000766709_100015370543 [0,1,0,0,0,0|1,0,2]=4 1976 B12R0.5 C#CCCCCOCC/C=C\CC 34a_100016288707_100010269958 [0,1,0,0,0,0|1,0,2]=4 1977 B12R0.5 C#CCCCCOCC/C=C\CC 7a_100000766709_100015370543 [0,1,0,0,0,0|1,0,2]=4 1978 B12R0.5 C#CCCCCOCC/C=C\CC 7a_100016288707_100010269958 [0,1,0,0,0,0|1,0,2]=4 1979 B12R0.5 C#CCCCCSCC/C=C\CC 62a_100010269958_100015370543 [0,1,0,0,0,0|1,0,2]=4 1980 B12R0.5 C#CCCCCSCC/C=C\CC 62a_100015370543_100010269958 [0,1,0,0,0,0|1,0,2]=4 1981 B12R0.5 C#CCCCOCCC/C=C/CC 34a_100016287902_100000695029 [0,1,0,0,0,0|1,0,2]=4 1982 B12R0.5 C#CCCCOCCC/C=C/CC 7a_100016287902_100011215417 [0,1,0,0,0,0|1,0,2]=4 1983 B12R0.5 C#CCCNCCCCCCCC 2230a_100000229939_100000688953 [0,1,0,0,0,0|2,0,1]=4 1984 B12R0.5 C#CCCNCCCCCCCC 34a_100000229939_100000688953 [0,1,0,0,0,0|2,0,1]=4 1985 B12R0.5 C#CCCNCCCCCCCC 34a_100000755551_100000210759 [0,1,0,0,0,0|2,0,1]=4 1986 B12R0.5 C#CCCOCCCC/C=C\CC 34a_100016287862_100000688953 [0,1,0,0,0,0|1,0,2]=4 1987 B12R0.5 C#CCCOCCCC/C=C\CC 7a_100016287862_100000688953 [0,1,0,0,0,0|1,0,2]=4 1988 B12R0.5 C#CCCOCCCCCCCC 34a_100000210232_100000688953 [0,1,0,0,0,0|2,0,1]=4 1989 B12R0.5 C#CCCOCCCCCCCC 34a_100011215631_100000210759 [0,1,0,0,0,0|2,0,1]=4 1990 B12R0.5 C#CCCOCCCCCCCC 7a_100000210232_100000688953 [0,1,0,0,0,0|2,0,1]=4 1991 B12R0.5 C#CCCSCCCCCCCC 62a_100000210759_100000688953 [0,1,0,0,0,0|2,0,1]=4 1992 B12R0.5 C#CCCSCCCCCCCC 62a_100000688953_100000210317 [0,1,0,0,0,0|2,0,1]=4 1993 B12R0.5 C#CCNCCCCCCCCC 2230a_100000212291_100000038162 [0,1,0,0,0,0|2,0,1]=4 1994 B12R0.5 C#CCNCCCCCCCCC 34a_100000212058_100011214924 [0,1,0,0,0,0|2,0,1]=4 1995 B12R0.5 C#CCNCCCCCCCCC 34a_100000212291_100000184674 [0,1,0,0,0,0|2,0,1]=4 1996 B12R0.5 C#CCOCCCCC/C=C\CC 34a_100016268722_100000184674 [0,1,0,0,0,0|1,0,2]=4 1997 B12R0.5 C#CCOCCCCC/C=C\CC 7a_100016268722_100000038162 [0,1,0,0,0,0|1,0,2]=4 1998 B12R0.5 C#CCOCCCCCCCCC 34a_100000210247_100011214924 [0,1,0,0,0,0|2,0,1]=4 1999 B12R0.5 C#CCOCCCCCCCCC 34a_100000210712_100000184674 [0,1,0,0,0,0|2,0,1]=4 2000 B12R0.5 C#CCOCCCCCCCCC 7a_100000210712_100000038162 [0,1,0,0,0,0|2,0,1]=4 2001 B12R0.5 C#CCSCCCCCCCCC 62a_100000038162_100000210670 [0,1,0,0,0,0|2,0,1]=4 2002 B12R0.5 C/C=C/C=C/COCCCCCC 34a_100016283227_100000210314 [0,1,0,0,0,0|1,0,2]=4 2003 B12R0.5 C/C=C/CCOCCCCCCC 34a_100016278192_100000210614 [0,1,0,0,0,0|1,0,2]=4 2004 B12R0.5 C/C=C/CNCCCCCCCC 34a_100000229939_100102629194 [0,1,0,0,0,0|1,0,2]=4 2005 B12R0.5 C/C=C/COCCCC/C=C\CC 34a_100016287862_100102629194 [0,1,0,0,0,0|1,0,2]=4 2006 B12R0.5 C/C=C/COCCCC/C=C\CC 7a_100016287862_100102629194 [0,1,0,0,0,0|1,0,2]=4 2007 B12R0.5 C/C=C/COCCCCCCCC 34a_100000210232_100102629194 [0,1,0,0,0,0|1,0,2]=4 2008 B12R0.5 C/C=C/COCCCCCCCC 34a_100016270725_100000210759 [0,1,0,0,0,0|1,0,2]=4 2009 B12R0.5 C/C=C/COCCCCCCCC 7a_100000210232_100102629194 [0,1,0,0,0,0|1,0,2]=4 2010 B12R0.5 C/C=C/CSCCCCCCCC 62a_100000210759_100102629194 [0,1,0,0,0,0|1,0,2]=4 2011 B12R0.5 C/C=C/CSCCCCCCCC 62a_100102629194_100000210317 [0,1,0,0,0,0|1,0,2]=4 2012 B12R0.5 C=CCCCCCCCNCCO 2230a_100016997473_100012355270 [0,1,0,0,0,0|1,0,2]=4 2013 B12R0.5 C=CCCCCCCCNCCO 34a_100016990907_100012355270 [0,1,0,0,0,0|1,0,2]=4 2014 B12R0.5 C=CCCCCCCCOCCO 34a_100000730831_100000211926 [0,1,0,0,0,0|1,0,2]=4 2015 B12R0.5 C=CCCCCCCCOCCO 7a_100000730831_100000211926 [0,1,0,0,0,0|1,0,2]=4 2016 B12R0.5 C=CCCCCCCCSCCO 62a_100000211926_100012355270 [0,1,0,0,0,0|1,0,2]=4 2017 B12R0.5 C=CCCCCCCCSCCO 62a_100012355270_100000211926 [0,1,0,0,0,0|1,0,2]=4 2018 B12R0.5 C=CCCCCCOC/C=C\CC 34a_100011216702_100103147603 [0,1,0,0,0,0|1,0,2]=4 2019 B12R0.5 C=CCCCCCOC/C=C\CC 34a_100016268518_100000700193 [0,1,0,0,0,0|1,0,2]=4 2020 B12R0.5 C=CCCCCCOC/C=C\CC 7a_100011216702_100103147603 [0,1,0,0,0,0|1,0,2]=4 2021 B12R0.5 C=CCCCCCSC/C=C\CC 62a_100000700193_100103147603 [0,1,0,0,0,0|1,0,2]=4 2022 B12R0.5 C=CCCCCCSC/C=C\CC 62a_100103147603_100000700193 [0,1,0,0,0,0|1,0,2]=4 2023 B12R0.5 C=CCCCCNCC/C=C\CC 2230a_100000703577_100015370543 [0,1,0,0,0,0|1,0,2]=4 2024 B12R0.5 C=CCCCCNCC/C=C\CC 34a_100000703577_100015370543 [0,1,0,0,0,0|1,0,2]=4 2025 B12R0.5 C=CCCCCOCC/C=C\CC 34a_100000766645_100015370543 [0,1,0,0,0,0|1,0,2]=4 2026 B12R0.5 C=CCCCCOCC/C=C\CC 34a_100016288707_100011215482 [0,1,0,0,0,0|1,0,2]=4 2027 B12R0.5 C=CCCCCOCC/C=C\CC 7a_100000766645_100015370543 [0,1,0,0,0,0|1,0,2]=4 2028 B12R0.5 C=CCCCCOCC/C=C\CC 7a_100016288707_100011215482 [0,1,0,0,0,0|1,0,2]=4 2029 B12R0.5 C=CCCCCSCC/C=C\CC 62a_100011215482_100015370543 [0,1,0,0,0,0|1,0,2]=4 2030 B12R0.5 C=CCCCCSCC/C=C\CC 62a_100015370543_100011215482 [0,1,0,0,0,0|1,0,2]=4 2031 B12R0.5 C=CCCCOCCC/C=C/CC 34a_100016287902_100000757094 [0,1,0,0,0,0|1,0,2]=4 2032 B12R0.5 C=CCCCOCCC/C=C/CC 7a_100016287902_100000757094 [0,1,0,0,0,0|1,0,2]=4 2033 B12R0.5 C=CCCNCCCCCCCC 2230a_100000229939_100000754431 [0,1,0,0,0,0|2,0,1]=4 2034 B12R0.5 C=CCCNCCCCCCCC 2230a_100015191253_100000210759 [0,1,0,0,0,0|2,0,1]=4 2035 B12R0.5 C=CCCNCCCCCCCC 34a_100000229939_100000754431 [0,1,0,0,0,0|2,0,1]=4 2036 B12R0.5 C=CCCOCCCC/C=C\CC 34a_100016287862_100000754431 [0,1,0,0,0,0|1,0,2]=4 2037 B12R0.5 C=CCCOCCCC/C=C\CC 7a_100016287862_100000754431 [0,1,0,0,0,0|1,0,2]=4 2038 B12R0.5 C=CCCOCCCCCCCC 34a_100000210232_100000754431 [0,1,0,0,0,0|2,0,1]=4 2039 B12R0.5 C=CCCOCCCCCCCC 34a_100011205117_100000210759 [0,1,0,0,0,0|2,0,1]=4 2040 B12R0.5 C=CCCOCCCCCCCC 7a_100000210232_100000754431 [0,1,0,0,0,0|2,0,1]=4 2041 B12R0.5 C=CCCSCCCCCCCC 62a_100000210759_100000754431 [0,1,0,0,0,0|2,0,1]=4 2042 B12R0.5 C=CCCSCCCCCCCC 62a_100000754431_100000210317 [0,1,0,0,0,0|2,0,1]=4 2043 B12R0.5 C=CCNCCCCCCCCC 2230a_100000212291_100000210623 [0,1,0,0,0,0|2,0,1]=4 2044 B12R0.5 C=CCNCCCCCCCCC 2230a_100020586998_100011214924 [0,1,0,0,0,0|2,0,1]=4 2045 B12R0.5 C=CCNCCCCCCCCC 34a_100000212291_100015514636 [0,1,0,0,0,0|2,0,1]=4 2046 B12R0.5 C=CCOCCCCC/C=C\CC 34a_100016268722_100015514636 [0,1,0,0,0,0|1,0,2]=4 2047 B12R0.5 C=CCOCCCCC/C=C\CC 7a_100016268722_100015514636 [0,1,0,0,0,0|1,0,2]=4 2048 B12R0.5 C=CCOCCCCCCCCC 34a_100000210712_100015514636 [0,1,0,0,0,0|2,0,1]=4 2049 B12R0.5 C=CCOCCCCCCCCC 34a_200000210373_100011214924 [0,1,0,0,0,0|2,0,1]=4 2050 B12R0.5 C=CCOCCCCCCCCC 7a_100000210712_100015514636 [0,1,0,0,0,0|2,0,1]=4 2051 B12R0.5 C=CCSCCCCCCCCC 62a_100000210623_100000210670 [0,1,0,0,0,0|2,0,1]=4 2052 B12R0.5 CC#CCOCCCC/C=C\CC 34a_100016287862_100000748600 [0,1,0,0,0,0|1,0,2]=4 2053 B12R0.5 CC#CCOCCCC/C=C\CC 7a_100016287862_100000748600 [0,1,0,0,0,0|1,0,2]=4 2054 B12R0.5 CC/C=C/C/C=C/CCOCCC 34a_200016273837_100000210303 [0,1,0,0,0,0|1,0,2]=4 2055 B12R0.5 CC/C=C/C/C=C/CCOCCC 7a_200016273837_100000210303 [0,1,0,0,0,0|1,0,2]=4 2056 B12R0.5 CC/C=C/CC/C=C/COCCC 34a_100016264143_100000210303 [0,1,0,0,0,0|1,0,2]=4 2057 B12R0.5 CC/C=C/CC/C=C/COCCC 7a_100016264143_100000210303 [0,1,0,0,0,0|1,0,2]=4 2058 B12R0.5 CC/C=C/CCCOCCCC#N 7a_100016287902_100000687738 [0,1,0,0,0,0|2,0,1]=4 2059 B12R0.5 CC/C=C/CCCOCCCC=O 7a_100016287902_200011292268 [0,1,0,0,0,0|2,0,1]=4 2060 B12R0.5 CC/C=C/CCCOCCCCC 34a_100016287902_100000718602 [0,1,0,0,0,0|1,0,0]=2 2061 B12R0.5 CC/C=C/CCCOCCCCC 7a_100016287902_100000210326 [0,1,0,0,0,0|1,0,0]=2 2062 B12R0.5 CC/C=C/CCCOCCCCF 34a_100016287902_100000729493 [0,1,0,0,0,0|2,0,0]=3 2063 B12R0.5 CC/C=C/CCCOCCCCF 7a_100016287902_100000729493 [0,1,0,0,0,0|2,0,0]=3 2064 B12R0.5 CC/C=C/CCCOCCCCO 34a_100016287902_100011216708 [0,1,0,0,0,0|2,0,0]=3 2065 B12R0.5 CC/C=C/CCCOCCCCO 7a_100016287902_100000210776 [0,1,0,0,0,0|2,0,0]=3 2066 B12R0.5 CC/C=C/CCCOCCCOC 34a_100016287902_100000740836 [0,1,0,0,0,0|2,0,0]=3 2067 B12R0.5 CC/C=C/CCCOCCCOC 7a_100016287902_100000740836 [0,1,0,0,0,0|2,0,0]=3 2068 B12R0.5 CC/C=C/CCCOCCOCC 34a_100016287902_100000210147 [0,1,0,0,0,0|2,0,0]=3 2069 B12R0.5 CC/C=C/CCCOCCOCC 7a_100016287902_100011215890 [0,1,0,0,0,0|2,0,0]=3 2070 B12R0.5 CC/C=C/CCCOCCSCC 34a_100016287902_100000757381 [0,1,0,0,0,0|2,0,0]=3 2071 B12R0.5 CC/C=C/CCCOCCSCC 7a_100016287902_100000757381 [0,1,0,0,0,0|2,0,0]=3 2072 B12R0.5 CC/C=C\CCC=NNCCCC 4a_100025702795_100016279218 [0,1,0,0,0,0|2,0,1]=4 2073 B12R0.5 CC/C=C\CCCCC=NNCC 4a_100000756455_100016288537 [0,1,0,0,0,0|2,0,1]=4 2074 B12R0.5 CC/C=C\CCCCCCCNC 269862a_106832991636_200025770492 [0,1,0,0,0,0|1,0,0]=2 2075 B12R0.5 CC/C=C\CCCCCNCCC 269862a_100020643023_100016288537 [0,1,0,0,0,0|1,0,0]=2 2076 B12R0.5 CC/C=C\CCCCCNCCF 269862a_100000724931_100016288537 [0,1,0,0,0,0|2,0,0]=3 2077 B12R0.5 CC/C=C\CCCCCNCCO 269862a_100000210304_100016288537 [0,1,0,0,0,0|2,0,0]=3 2078 B12R0.5 CC/C=C\CCCCCOCC#N 7a_100016268722_100011215382 [0,1,0,0,0,0|2,0,1]=4 2079 B12R0.5 CC/C=C\CCCCCOCC=O 34a_100016268722_200009817547 [0,1,0,0,0,0|2,0,1]=4 2080 B12R0.5 CC/C=C\CCCCCOCC=O 7a_100016268722_200015260668 [0,1,0,0,0,0|2,0,1]=4 2081 B12R0.5 CC/C=C\CCCCCOCCC 34a_100016268722_100000210303 [0,1,0,0,0,0|1,0,0]=2 2082 B12R0.5 CC/C=C\CCCCCOCCC 7a_100016268722_100000210303 [0,1,0,0,0,0|1,0,0]=2 2083 B12R0.5 CC/C=C\CCCCCOCCF 34a_100016268722_100011217306 [0,1,0,0,0,0|2,0,0]=3 2084 B12R0.5 CC/C=C\CCCCCOCCF 7a_100016268722_100011217306 [0,1,0,0,0,0|2,0,0]=3 2085 B12R0.5 CC/C=C\CCCCCOCCO 34a_100016268722_100000211926 [0,1,0,0,0,0|2,0,0]=3 2086 B12R0.5 CC/C=C\CCCCCOCCO 7a_100016268722_100000211926 [0,1,0,0,0,0|2,0,0]=3 2087 B12R0.5 CC/C=C\CCCCCOCSC 34a_100016268722_100011218213 [0,1,0,0,0,0|2,0,0]=3 2088 B12R0.5 CC/C=C\CCCCOCCC#N 7a_100016287862_100000184422 [0,1,0,0,0,0|2,0,1]=4 2089 B12R0.5 CC/C=C\CCCCOCCCC 34a_100016287862_100000210210 [0,1,0,0,0,0|1,0,0]=2 2090 B12R0.5 CC/C=C\CCCCOCCCC 7a_100016287862_100000210211 [0,1,0,0,0,0|1,0,0]=2 2091 B12R0.5 CC/C=C\CCCCOCCCF 34a_100016287862_100011934791 [0,1,0,0,0,0|2,0,0]=3 2092 B12R0.5 CC/C=C\CCCCOCCCF 7a_100016287862_100011934791 [0,1,0,0,0,0|2,0,0]=3 2093 B12R0.5 CC/C=C\CCCCOCCCO 34a_100016287862_100000230001 [0,1,0,0,0,0|2,0,0]=3 2094 B12R0.5 CC/C=C\CCCCOCCCO 7a_100016287862_100011215043 [0,1,0,0,0,0|2,0,0]=3 2095 B12R0.5 CC/C=C\CCCCOCCOC 34a_100016287862_100011201679 [0,1,0,0,0,0|2,0,0]=3 2096 B12R0.5 CC/C=C\CCCCOCCOC 7a_100016287862_100000233755 [0,1,0,0,0,0|2,0,0]=3 2097 B12R0.5 CC/C=C\CCCCOCCSC 34a_100016287862_100000212216 [0,1,0,0,0,0|2,0,0]=3 2098 B12R0.5 CC/C=C\CCCCOCCSC 7a_100016287862_100000212216 [0,1,0,0,0,0|2,0,0]=3 2099 B12R0.5 CC/C=C\CCNCCCCCC 2230a_100000210581_100015370543 [0,1,0,0,0,0|1,0,0]=2 2100 B12R0.5 CC/C=C\CCNCCCCCO 2230a_100000762737_100015370543 [0,1,0,0,0,0|2,0,0]=3 2101 B12R0.5 CC/C=C\CCNCCCCCO 34a_100000762737_100015370543 [0,1,0,0,0,0|2,0,0]=3 2102 B12R0.5 CC/C=C\CCNCCCOCC 2230a_100000210961_100015370543 [0,1,0,0,0,0|2,0,0]=3 2103 B12R0.5 CC/C=C\CCNCCCOCC 34a_100000210961_100015370543 [0,1,0,0,0,0|2,0,0]=3 2104 B12R0.5 CC/C=C\CCNCCOCCC 2230a_100161115042_100015370543 [0,1,0,0,0,0|2,0,0]=3 2105 B12R0.5 CC/C=C\CCNCCOCCC 34a_100161115042_100015370543 [0,1,0,0,0,0|2,0,0]=3 2106 B12R0.5 CC/C=C\CCNCCOCCO 2230a_100000211614_100015370543 [0,1,0,0,0,0|3,0,0]=4 2107 B12R0.5 CC/C=C\CCNCCOCCO 34a_100000211614_100015370543 [0,1,0,0,0,0|3,0,0]=4 2108 B12R0.5 CC/C=C\CCNCCSCCC 2230a_100020603323_100015370543 [0,1,0,0,0,0|2,0,0]=3 2109 B12R0.5 CC/C=C\CCNCCSCCO 2230a_100011219999_100015370543 [0,1,0,0,0,0|3,0,0]=4 2110 B12R0.5 CC/C=C\CCOC/C=C/CCC 34a_100016278788_100015370543 [0,1,0,0,0,0|1,0,2]=4 2111 B12R0.5 CC/C=C\CCOC/C=C/CCC 7a_100016278788_100015370543 [0,1,0,0,0,0|1,0,2]=4 2112 B12R0.5 CC/C=C\CCOCC#CCCC 34a_100000034806_100015370543 [0,1,0,0,0,0|1,0,2]=4 2113 B12R0.5 CC/C=C\CCOCC#CCCC 7a_100000034806_100015370543 [0,1,0,0,0,0|1,0,2]=4 2114 B12R0.5 CC/C=C\CCOCC/C=C\CC 34a_100016288707_100015370543 [0,1,0,0,0,0|1,0,2]=4 2115 B12R0.5 CC/C=C\CCOCC/C=C\CC 7a_100016288707_100015370543 [0,1,0,0,0,0|1,0,2]=4 2116 B12R0.5 CC/C=C\CCOCCCCC#N 7a_100016288707_100000211819 [0,1,0,0,0,0|2,0,1]=4 2117 B12R0.5 CC/C=C\CCOCCCCC=O 7a_100016288707_100000139335 [0,1,0,0,0,0|2,0,1]=4 2118 B12R0.5 CC/C=C\CCOCCCCCBr 34a_100000746331_100015370543 [0,1,0,0,0,0|2,0,0]=3 2119 B12R0.5 CC/C=C\CCOCCCCCBr 7a_100000746331_100015370543 [0,1,0,0,0,0|2,0,0]=3 2120 B12R0.5 CC/C=C\CCOCCCCCC 34a_100000210259_100015370543 [0,1,0,0,0,0|1,0,0]=2 2121 B12R0.5 CC/C=C\CCOCCCCCC 34a_100016288707_100000210314 [0,1,0,0,0,0|1,0,0]=2 2122 B12R0.5 CC/C=C\CCOCCCCCC 7a_100000210259_100015370543 [0,1,0,0,0,0|1,0,0]=2 2123 B12R0.5 CC/C=C\CCOCCCCCC 7a_100016288707_100000210314 [0,1,0,0,0,0|1,0,0]=2 2124 B12R0.5 CC/C=C\CCOCCCCCCl 34a_100000746330_100015370543 [0,1,0,0,0,0|2,0,0]=3 2125 B12R0.5 CC/C=C\CCOCCCCCCl 7a_100000746330_100015370543 [0,1,0,0,0,0|2,0,0]=3 2126 B12R0.5 CC/C=C\CCOCCCCCF 34a_100016288707_100000729378 [0,1,0,0,0,0|2,0,0]=3 2127 B12R0.5 CC/C=C\CCOCCCCCF 7a_100016288707_100000729378 [0,1,0,0,0,0|2,0,0]=3 2128 B12R0.5 CC/C=C\CCOCCCCCI 34a_200012148887_100015370543 [0,1,0,0,0,0|2,0,0]=3 2129 B12R0.5 CC/C=C\CCOCCCCCI 7a_200012148887_100015370543 [0,1,0,0,0,0|2,0,0]=3 2130 B12R0.5 CC/C=C\CCOCCCCCN 34a_100000762737_100015370543 [0,1,0,0,0,0|2,0,0]=3 2131 B12R0.5 CC/C=C\CCOCCCCCO 34a_100016288707_100000746330 [0,1,0,0,0,0|2,0,0]=3 2132 B12R0.5 CC/C=C\CCOCCCCCO 7a_100016288707_100000746330 [0,1,0,0,0,0|2,0,0]=3 2133 B12R0.5 CC/C=C\CCOCCCCOC 34a_100000740925_100015370543 [0,1,0,0,0,0|2,0,0]=3 2134 B12R0.5 CC/C=C\CCOCCCCOC 34a_100016288707_100000755781 [0,1,0,0,0,0|2,0,0]=3 2135 B12R0.5 CC/C=C\CCOCCCCOC 7a_100016288707_100000730899 [0,1,0,0,0,0|2,0,0]=3 2136 B12R0.5 CC/C=C\CCOCCCCSC 34a_100011217163_100015370543 [0,1,0,0,0,0|2,0,0]=3 2137 B12R0.5 CC/C=C\CCOCCCCSC 7a_100011217163_100015370543 [0,1,0,0,0,0|2,0,0]=3 2138 B12R0.5 CC/C=C\CCOCCCOCC 34a_100000757476_100015370543 [0,1,0,0,0,0|2,0,0]=3 2139 B12R0.5 CC/C=C\CCOCCCOCC 34a_100016288707_100012232248 [0,1,0,0,0,0|2,0,0]=3 2140 B12R0.5 CC/C=C\CCOCCCOCC 7a_100000757476_100015370543 [0,1,0,0,0,0|2,0,0]=3 2141 B12R0.5 CC/C=C\CCOCCCOCC 7a_100016288707_100012232248 [0,1,0,0,0,0|2,0,0]=3 2142 B12R0.5 CC/C=C\CCOCCCSCC 34a_100011216438_100015370543 [0,1,0,0,0,0|2,0,0]=3 2143 B12R0.5 CC/C=C\CCOCCCSCC 7a_100011216438_100015370543 [0,1,0,0,0,0|2,0,0]=3 2144 B12R0.5 CC/C=C\CCOCCOCCBr 34a_100000692535_100015370543 [0,1,0,0,0,0|3,0,0]=4 2145 B12R0.5 CC/C=C\CCOCCOCCBr 7a_100000692535_100015370543 [0,1,0,0,0,0|3,0,0]=4 2146 B12R0.5 CC/C=C\CCOCCOCCC 34a_100000752267_100015370543 [0,1,0,0,0,0|2,0,0]=3 2147 B12R0.5 CC/C=C\CCOCCOCCC 34a_100016288707_100011215938 [0,1,0,0,0,0|2,0,0]=3 2148 B12R0.5 CC/C=C\CCOCCOCCC 7a_100000752267_100015370543 [0,1,0,0,0,0|2,0,0]=3 2149 B12R0.5 CC/C=C\CCOCCOCCC 7a_100016288707_100011215938 [0,1,0,0,0,0|2,0,0]=3 2150 B12R0.5 CC/C=C\CCOCCOCCCl 34a_100011215305_100015370543 [0,1,0,0,0,0|3,0,0]=4 2151 B12R0.5 CC/C=C\CCOCCOCCCl 7a_100011215305_100015370543 [0,1,0,0,0,0|3,0,0]=4 2152 B12R0.5 CC/C=C\CCOCCOCCF 34a_200015357709_100015370543 [0,1,0,0,0,0|3,0,0]=4 2153 B12R0.5 CC/C=C\CCOCCOCCF 7a_200015357709_100015370543 [0,1,0,0,0,0|3,0,0]=4 2154 B12R0.5 CC/C=C\CCOCCOCCI 34a_100012149058_100015370543 [0,1,0,0,0,0|3,0,0]=4 2155 B12R0.5 CC/C=C\CCOCCOCCI 7a_100012149058_100015370543 [0,1,0,0,0,0|3,0,0]=4 2156 B12R0.5 CC/C=C\CCOCCOCCN 34a_100000211614_100015370543 [0,1,0,0,0,0|3,0,0]=4 2157 B12R0.5 CC/C=C\CCOCCOCCO 34a_100016288707_100000692535 [0,1,0,0,0,0|3,0,0]=4 2158 B12R0.5 CC/C=C\CCOCCOCCO 7a_100016288707_100011215305 [0,1,0,0,0,0|3,0,0]=4 2159 B12R0.5 CC/C=C\CCOCCSCCC 34a_200000230433_100015370543 [0,1,0,0,0,0|2,0,0]=3 2160 B12R0.5 CC/C=C\CCOCCSCCC 7a_200000230433_100015370543 [0,1,0,0,0,0|2,0,0]=3 2161 B12R0.5 CC/C=C\CCOCOCCCC 34a_100016288707_100011995733 [0,1,0,0,0,0|2,0,0]=3 2162 B12R0.5 CC/C=C\CCSCC/C=C\CC 62a_100015370543_100015370543 [0,1,0,0,0,0|1,0,2]=4 2163 B12R0.5 CC/C=C\CCSCCCCC#N 62a_100011219923_100015370543 [0,1,0,0,0,0|2,0,1]=4 2164 B12R0.5 CC/C=C\CCSCCCCC#N 62a_100015370543_100000211819 [0,1,0,0,0,0|2,0,1]=4 2165 B12R0.5 CC/C=C\CCSCCCCC=O 62a_100000139335_100015370543 [0,1,0,0,0,0|2,0,1]=4 2166 B12R0.5 CC/C=C\CCSCCCCC=O 62a_100015370543_100000139335 [0,1,0,0,0,0|2,0,1]=4 2167 B12R0.5 CC/C=C\CCSCCCCCC 62a_100000210314_100015370543 [0,1,0,0,0,0|1,0,0]=2 2168 B12R0.5 CC/C=C\CCSCCCCCC 62a_100015370543_100000210757 [0,1,0,0,0,0|1,0,0]=2 2169 B12R0.5 CC/C=C\CCSCCCCCF 62a_100000729378_100015370543 [0,1,0,0,0,0|2,0,0]=3 2170 B12R0.5 CC/C=C\CCSCCCCCF 62a_100015370543_100000729378 [0,1,0,0,0,0|2,0,0]=3 2171 B12R0.5 CC/C=C\CCSCCCCCO 62a_100000746330_100015370543 [0,1,0,0,0,0|2,0,0]=3 2172 B12R0.5 CC/C=C\CCSCCCCCO 62a_100015370543_100000746330 [0,1,0,0,0,0|2,0,0]=3 2173 B12R0.5 CC/C=C\CCSCCCCOC 62a_100000730899_100015370543 [0,1,0,0,0,0|2,0,0]=3 2174 B12R0.5 CC/C=C\CCSCCCCOC 62a_100015370543_100000730899 [0,1,0,0,0,0|2,0,0]=3 2175 B12R0.5 CC/C=C\CCSCCCOCC 62a_100012232248_100015370543 [0,1,0,0,0,0|2,0,0]=3 2176 B12R0.5 CC/C=C\CCSCCCOCC 62a_100015370543_100012232248 [0,1,0,0,0,0|2,0,0]=3 2177 B12R0.5 CC/C=C\CCSCCOCCC 62a_100011215938_100015370543 [0,1,0,0,0,0|2,0,0]=3 2178 B12R0.5 CC/C=C\CCSCCOCCC 62a_100015370543_100011215938 [0,1,0,0,0,0|2,0,0]=3 2179 B12R0.5 CC/C=C\CCSCCOCCO 62a_100011215305_100015370543 [0,1,0,0,0,0|3,0,0]=4 2180 B12R0.5 CC/C=C\CCSCCOCCO 62a_100015370543_100011215305 [0,1,0,0,0,0|3,0,0]=4 2181 B12R0.5 CC/C=C\CCSCOCCCC 62a_100011995733_100015370543 [0,1,0,0,0,0|2,0,0]=3 2182 B12R0.5 CC/C=C\CCSCOCCCC 62a_100015370543_100011995733 [0,1,0,0,0,0|2,0,0]=3 2183 B12R0.5 CC/C=C\CCSCOCCOC 62a_100000231047_100015370543 [0,1,0,0,0,0|3,0,0]=4 2184 B12R0.5 CC/C=C\CCSCOCCOC 62a_100015370543_100000231047 [0,1,0,0,0,0|3,0,0]=4 2185 B12R0.5 CC/C=C\CNCCCCCCC 2230a_100000229938_100103147603 [0,1,0,0,0,0|1,0,0]=2 2186 B12R0.5 CC/C=C\CNCCCCCCO 2230a_100000686447_100103147603 [0,1,0,0,0,0|2,0,0]=3 2187 B12R0.5 CC/C=C\CNCCCCCCO 34a_100000686447_100103147603 [0,1,0,0,0,0|2,0,0]=3 2188 B12R0.5 CC/C=C\CNCCCCCOC 2230a_100000747528_100103147603 [0,1,0,0,0,0|2,0,0]=3 2189 B12R0.5 CC/C=C\CNCCCCCOC 34a_100000747528_100103147603 [0,1,0,0,0,0|2,0,0]=3 2190 B12R0.5 CC/C=C\CNCCCOCCC 2230a_100011217757_100103147603 [0,1,0,0,0,0|2,0,0]=3 2191 B12R0.5 CC/C=C\CNCCCOCCC 34a_100011217757_100103147603 [0,1,0,0,0,0|2,0,0]=3 2192 B12R0.5 CC/C=C\CNCCOCCOC 2230a_100000745349_100103147603 [0,1,0,0,0,0|3,0,0]=4 2193 B12R0.5 CC/C=C\CNCCOCCOC 34a_100000745349_100103147603 [0,1,0,0,0,0|3,0,0]=4 2194 B12R0.5 CC/C=C\CNCCSCCCC 2230a_100025743550_100103147603 [0,1,0,0,0,0|2,0,0]=3 2195 B12R0.5 CC/C=C\COC/C=C/CCCC 34a_200016272032_100103147603 [0,1,0,0,0,0|1,0,2]=4 2196 B12R0.5 CC/C=C\COC/C=C/CCCC 7a_200016272032_100103147603 [0,1,0,0,0,0|1,0,2]=4 2197 B12R0.5 CC/C=C\COCC#CCCCC 34a_200000034558_100103147603 [0,1,0,0,0,0|1,0,2]=4 2198 B12R0.5 CC/C=C\COCC#CCCCC 7a_200000034558_100103147603 [0,1,0,0,0,0|1,0,2]=4 2199 B12R0.5 CC/C=C\COCCC#CCCC 34a_100000042726_100103147603 [0,1,0,0,0,0|1,0,2]=4 2200 B12R0.5 CC/C=C\COCCC#CCCC 7a_100000042726_100103147603 [0,1,0,0,0,0|1,0,2]=4 2201 B12R0.5 CC/C=C\COCCC/C=C/CC 34a_100016287902_100103147603 [0,1,0,0,0,0|1,0,2]=4 2202 B12R0.5 CC/C=C\COCCC/C=C/CC 7a_100016287902_100103147603 [0,1,0,0,0,0|1,0,2]=4 2203 B12R0.5 CC/C=C\COCCCCCCBr 34a_100011215345_100103147603 [0,1,0,0,0,0|2,0,0]=3 2204 B12R0.5 CC/C=C\COCCCCCCBr 7a_100011215345_100103147603 [0,1,0,0,0,0|2,0,0]=3 2205 B12R0.5 CC/C=C\COCCCCCCC 34a_100000210272_100103147603 [0,1,0,0,0,0|1,0,0]=2 2206 B12R0.5 CC/C=C\COCCCCCCC 34a_100016268518_100000210614 [0,1,0,0,0,0|1,0,0]=2 2207 B12R0.5 CC/C=C\COCCCCCCC 7a_100000210272_100103147603 [0,1,0,0,0,0|1,0,0]=2 2208 B12R0.5 CC/C=C\COCCCCCCCl 34a_100000766143_100103147603 [0,1,0,0,0,0|2,0,0]=3 2209 B12R0.5 CC/C=C\COCCCCCCCl 7a_100000766143_100103147603 [0,1,0,0,0,0|2,0,0]=3 2210 B12R0.5 CC/C=C\COCCCCCCF 34a_100000732779_100103147603 [0,1,0,0,0,0|2,0,0]=3 2211 B12R0.5 CC/C=C\COCCCCCCF 34a_100016268518_100015922095 [0,1,0,0,0,0|2,0,0]=3 2212 B12R0.5 CC/C=C\COCCCCCCF 7a_100000732779_100103147603 [0,1,0,0,0,0|2,0,0]=3 2213 B12R0.5 CC/C=C\COCCCCCCN 34a_100000686447_100103147603 [0,1,0,0,0,0|2,0,0]=3 2214 B12R0.5 CC/C=C\COCCCCCCO 34a_100016268518_100000766143 [0,1,0,0,0,0|2,0,0]=3 2215 B12R0.5 CC/C=C\COCCCCCNC 34a_100000722520_100103147603 [0,1,0,0,0,0|2,0,0]=3 2216 B12R0.5 CC/C=C\COCCOCCCC 34a_100000210238_100103147603 [0,1,0,0,0,0|2,0,0]=3 2217 B12R0.5 CC/C=C\COCCOCCCC 34a_100016268518_100000743108 [0,1,0,0,0,0|2,0,0]=3 2218 B12R0.5 CC/C=C\COCCOCCCC 7a_100000210238_100103147603 [0,1,0,0,0,0|2,0,0]=3 2219 B12R0.5 CC/C=C\COCCOCCNC 34a_100000228057_100103147603 [0,1,0,0,0,0|3,0,0]=4 2220 B12R0.5 CC/C=C\COCCOCCOC 34a_100011215163_100103147603 [0,1,0,0,0,0|3,0,0]=4 2221 B12R0.5 CC/C=C\COCCOCCOC 34a_100016268518_100000695917 [0,1,0,0,0,0|3,0,0]=4 2222 B12R0.5 CC/C=C\COCCOCCOC 7a_100011215163_100103147603 [0,1,0,0,0,0|3,0,0]=4 2223 B12R0.5 CC/C=C\COCCSCCCC 34a_200000230436_100103147603 [0,1,0,0,0,0|2,0,0]=3 2224 B12R0.5 CC/C=C\COCCSCCCC 7a_200000230436_100103147603 [0,1,0,0,0,0|2,0,0]=3 2225 B12R0.5 CC/C=C\CSCCCCCC#N 62a_100009813376_100103147603 [0,1,0,0,0,0|2,0,1]=4 2226 B12R0.5 CC/C=C\CSCCCCCC#N 62a_100103147603_100009813376 [0,1,0,0,0,0|2,0,1]=4 2227 B12R0.5 CC/C=C\CSCCCCCC=O 62a_100000139337_100103147603 [0,1,0,0,0,0|2,0,1]=4 2228 B12R0.5 CC/C=C\CSCCCCCC=O 62a_100103147603_100000139337 [0,1,0,0,0,0|2,0,1]=4 2229 B12R0.5 CC/C=C\CSCCCCCCC 62a_100000210614_100103147603 [0,1,0,0,0,0|1,0,0]=2 2230 B12R0.5 CC/C=C\CSCCCCCCC 62a_100103147603_100000210316 [0,1,0,0,0,0|1,0,0]=2 2231 B12R0.5 CC/C=C\CSCCCCCCF 62a_100015922095_100103147603 [0,1,0,0,0,0|2,0,0]=3 2232 B12R0.5 CC/C=C\CSCCCCCCF 62a_100103147603_100015922095 [0,1,0,0,0,0|2,0,0]=3 2233 B12R0.5 CC/C=C\CSCCCCCCO 62a_100000766143_100103147603 [0,1,0,0,0,0|2,0,0]=3 2234 B12R0.5 CC/C=C\CSCCCCCCO 62a_100103147603_100000766143 [0,1,0,0,0,0|2,0,0]=3 2235 B12R0.5 CC/C=C\CSCCOCCCC 62a_100000743108_100103147603 [0,1,0,0,0,0|2,0,0]=3 2236 B12R0.5 CC/C=C\CSCCOCCCC 62a_100103147603_100000743108 [0,1,0,0,0,0|2,0,0]=3 2237 B12R0.5 CC/C=C\CSCCOCCOC 62a_100000695917_100103147603 [0,1,0,0,0,0|3,0,0]=4 2238 B12R0.5 CC/C=C\CSCCOCCOC 62a_100103147603_100000695917 [0,1,0,0,0,0|3,0,0]=4 2239 B12R0.5 CC=C=CCCOCCCCCC 34a_100011020354_100000210314 [0,1,0,0,0,0|1,0,2]=4 2240 B12R0.5 CC=CCCCOCC/C=C\CC 34a_100020645299_100015370543 [0,1,0,0,0,0|1,0,2]=4 2241 B12R0.5 CC=CCCCOCCCCCC 34a_100020645299_100000210314 [0,1,0,0,0,0|1,0,2]=4 2242 B12R0.5 CC=CCNCCCCCCCC 2230a_100000229939_100000070051 [0,1,0,0,0,0|1,0,2]=4 2243 B12R0.5 CC=CCNCCCCCCCC 34a_100000229939_100000070051 [0,1,0,0,0,0|1,0,2]=4 2244 B12R0.5 CC=CCOCCCC/C=C\CC 34a_100016287862_100000070051 [0,1,0,0,0,0|1,0,2]=4 2245 B12R0.5 CC=CCOCCCC/C=C\CC 7a_100016287862_100000070051 [0,1,0,0,0,0|1,0,2]=4 2246 B12R0.5 CC=CCOCCCCCCCC 34a_100000210232_100000070051 [0,1,0,0,0,0|1,0,2]=4 2247 B12R0.5 CC=CCOCCCCCCCC 7a_100000210232_100000070051 [0,1,0,0,0,0|1,0,2]=4 2248 B12R0.5 CC=CCSCCCCCCCC 62a_100000070051_100000210317 [0,1,0,0,0,0|1,0,2]=4 2249 B12R0.5 CC=CCSCCCCCCCC 62a_100000210759_100000070051 [0,1,0,0,0,0|1,0,2]=4 2250 B12R0.5 CCC#CCCCCCCNCC 2230a_100015525214_200000036426 [0,1,0,0,0,0|1,0,2]=4 2251 B12R0.5 CCC#CCCCCCCOCC 34a_100121572206_200000036426 [0,1,0,0,0,0|1,0,2]=4 2252 B12R0.5 CCC#CCCCCCCSCC 62a_100000210202_200000036426 [0,1,0,0,0,0|1,0,2]=4 2253 B12R0.5 CCC#CCCCCCCSCC 62a_200000036426_100000210202 [0,1,0,0,0,0|1,0,2]=4 2254 B12R0.5 CCC#CCCOCC/C=C\CC 34a_100000036655_100015370543 [0,1,0,0,0,0|1,0,2]=4 2255 B12R0.5 CCC#CCCOCC/C=C\CC 7a_100000036655_100015370543 [0,1,0,0,0,0|1,0,2]=4 2256 B12R0.5 CCC#CCCOCCCCCC 34a_100000036655_100000210314 [0,1,0,0,0,0|1,0,2]=4 2257 B12R0.5 CCC#CCCOCCCCCC 7a_100000036655_100000210314 [0,1,0,0,0,0|1,0,2]=4 2258 B12R0.5 CCC#CCNCCCCCCC 2230a_100000229938_100009813939 [0,1,0,0,0,0|1,0,2]=4 2259 B12R0.5 CCC#CCOCCC/C=C/CC 34a_100016287902_100009813939 [0,1,0,0,0,0|1,0,2]=4 2260 B12R0.5 CCC#CCOCCC/C=C/CC 7a_100016287902_100009813939 [0,1,0,0,0,0|1,0,2]=4 2261 B12R0.5 CCC#CCOCCCCCCC 34a_100000032950_100000210614 [0,1,0,0,0,0|1,0,2]=4 2262 B12R0.5 CCC#CCOCCCCCCC 34a_100000210272_100009813939 [0,1,0,0,0,0|1,0,2]=4 2263 B12R0.5 CCC#CCOCCCCCCC 7a_100000210272_100009813939 [0,1,0,0,0,0|1,0,2]=4 2264 B12R0.5 CCC#CCSCCCCCCC 62a_100000210614_100009813939 [0,1,0,0,0,0|1,0,2]=4 2265 B12R0.5 CCC#CCSCCCCCCC 62a_100009813939_100000210316 [0,1,0,0,0,0|1,0,2]=4 2266 B12R0.5 CCC/C=C/COCCCCCC 34a_100016278788_100000210314 [0,1,0,0,0,0|2,0,0]=3 2267 B12R0.5 CCC/C=C/COCCCCCC 7a_100016278788_100000210314 [0,1,0,0,0,0|2,0,0]=3 2268 B12R0.5 CCC/C=C/COCCCCCF 34a_100016278788_100000729378 [0,1,0,0,0,0|3,0,0]=4 2269 B12R0.5 CCC/C=C/COCCCCCF 7a_100016278788_100000729378 [0,1,0,0,0,0|3,0,0]=4 2270 B12R0.5 CCC/C=C/COCCCCCO 34a_100016278788_100000746330 [0,1,0,0,0,0|3,0,0]=4 2271 B12R0.5 CCC/C=C/COCCCCCO 7a_100016278788_100000746330 [0,1,0,0,0,0|3,0,0]=4 2272 B12R0.5 CCC/C=C/COCCCCOC 34a_100016278788_100000755781 [0,1,0,0,0,0|3,0,0]=4 2273 B12R0.5 CCC/C=C/COCCCCOC 7a_100016278788_100000730899 [0,1,0,0,0,0|3,0,0]=4 2274 B12R0.5 CCC/C=C/COCCCOCC 34a_100016278788_100012232248 [0,1,0,0,0,0|3,0,0]=4 2275 B12R0.5 CCC/C=C/COCCCOCC 7a_100016278788_100012232248 [0,1,0,0,0,0|3,0,0]=4 2276 B12R0.5 CCC/C=C/COCCOCCC 34a_100016278788_100011215938 [0,1,0,0,0,0|3,0,0]=4 2277 B12R0.5 CCC/C=C/COCCOCCC 7a_100016278788_100011215938 [0,1,0,0,0,0|3,0,0]=4 2278 B12R0.5 CCC/C=C/COCOCCCC 34a_100016278788_100011995733 [0,1,0,0,0,0|3,0,0]=4 2279 B12R0.5 CCCCC#CCCCNCCO 2230a_100016997473_200000047210 [0,1,0,0,0,0|1,0,2]=4 2280 B12R0.5 CCCCC#CCCCNCCO 34a_100016990907_200000047210 [0,1,0,0,0,0|1,0,2]=4 2281 B12R0.5 CCCCC#CCCCSCCO 62a_100000211926_200000047210 [0,1,0,0,0,0|1,0,2]=4 2282 B12R0.5 CCCCC#CCCCSCCO 62a_200000047210_100000211926 [0,1,0,0,0,0|1,0,2]=4 2283 B12R0.5 CCCCC/C=C\CCOCCO 34a_100016277358_100000211926 [0,1,0,0,0,0|1,0,2]=4 2284 B12R0.5 CCCCC/C=C\CCOCCO 7a_100016277358_100000211926 [0,1,0,0,0,0|1,0,2]=4 2285 B12R0.5 CCCCCC#CCCOCCO 34a_200000042877_100000211926 [0,1,0,0,0,0|1,0,2]=4 2286 B12R0.5 CCCCCC#CCCOCCO 7a_200000042877_100000211926 [0,1,0,0,0,0|1,0,2]=4 2287 B12R0.5 CCCCCC/C=C/C=C/COC 34a_200028454808_200000210301 [0,1,0,0,0,0|0,0,2]=3 2288 B12R0.5 CCCCCC/C=C/C=C/COC 7a_200028454808_200000210301 [0,1,0,0,0,0|0,0,2]=3 2289 B12R0.5 CCCCCC/C=C/C=C/CO[13CH3] 34a_200028454808_200025704644 [0,1,0,0,0,0|0,0,2]=3 2290 B12R0.5 CCCCCC/C=C/C=C/CO[13CH3] 7a_200028454808_200025704644 [0,1,0,0,0,0|0,0,2]=3 2291 B12R0.5 CCCCCC/C=C/COCCO 34a_200016276170_100000211926 [0,1,0,0,0,0|1,0,2]=4 2292 B12R0.5 CCCCCC/C=C/COCCO 7a_200016276170_100000211926 [0,1,0,0,0,0|1,0,2]=4 2293 B12R0.5 CCCCCCC#CCOCCO 34a_200000037284_100000211926 [0,1,0,0,0,0|1,0,2]=4 2294 B12R0.5 CCCCCCC#CCOCCO 7a_200000037284_100000211926 [0,1,0,0,0,0|1,0,2]=4 2295 B12R0.5 CCCCCCCC/C=C/COC 34a_200020667288_200000210301 [0,1,0,0,0,0|0,0,0]=1 2296 B12R0.5 CCCCCCCC/C=C/COC 7a_200020667288_200000210301 [0,1,0,0,0,0|0,0,0]=1 2297 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 34a_200020667288_200025704644 [0,1,0,0,0,0|0,0,0]=1 2298 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 7a_200020667288_200025704644 [0,1,0,0,0,0|0,0,0]=1 2299 B12R0.5 CCCCCCCC=NNCCO 4a_100000210001_100000210592 [0,1,0,0,0,0|1,0,2]=4 2300 B12R0.5 CCCCCCCCC=NNCC 4a_100000756455_100011218696 [0,1,0,0,0,0|2,0,0]=3 2301 B12R0.5 CCCCCCCCCCCNC 2230a_106832991635_100011215454 [0,1,0,0,0,0|1,0,2]=4 2302 B12R0.5 CCCCCCCCCCCNC 2230a_200011215754_200000210301 [0,1,0,0,0,0|1,0,2]=4 2303 B12R0.5 CCCCCCCCCCCNC 34a_100102657272_100011215454 [0,1,0,0,0,0|1,0,2]=4 2304 B12R0.5 CCCCCCCCCCCNC 34a_200011215754_200000210301 [0,1,0,0,0,0|1,0,2]=4 2305 B12R0.5 CCCCCCCCCCCNC 7a_106832991635_100011215454 [0,1,0,0,0,0|1,0,2]=4 2306 B12R0.5 CCCCCCCCCCCN[13CH3] 2230a_200011215754_200025704644 [0,1,0,0,0,0|1,0,2]=4 2307 B12R0.5 CCCCCCCCCCCN[13CH3] 34a_200011215754_200025704644 [0,1,0,0,0,0|1,0,2]=4 2308 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [0,1,0,0,0,0|0,0,2]=3 2309 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [0,1,0,0,0,0|0,0,2]=3 2310 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [0,1,0,0,0,0|0,0,2]=3 2311 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [0,1,0,0,0,0|0,0,2]=3 2312 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [0,1,0,0,0,0|0,0,2]=3 2313 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [0,1,0,0,0,0|0,1,2]=4 2314 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [0,1,0,0,0,0|0,1,2]=4 2315 B12R0.5 CCCCCCCCCCNCC 2230a_100000684558_100000210202 [0,1,0,0,0,0|1,0,2]=4 2316 B12R0.5 CCCCCCCCCCNCC 2230a_100015525214_100000210320 [0,1,0,0,0,0|1,0,2]=4 2317 B12R0.5 CCCCCCCCCCNCC 34a_100000684558_100000210202 [0,1,0,0,0,0|1,0,2]=4 2318 B12R0.5 CCCCCCCCCCNCF 34a_100000684558_100015361967 [0,1,0,0,0,0|1,0,2]=4 2319 B12R0.5 CCCCCCCCCCOCC 34a_100000210711_100000210202 [0,1,0,0,0,0|1,0,2]=4 2320 B12R0.5 CCCCCCCCCCOCC 34a_100121572206_100000210320 [0,1,0,0,0,0|1,0,2]=4 2321 B12R0.5 CCCCCCCCCCOCC 7a_100000210711_100000210202 [0,1,0,0,0,0|1,0,2]=4 2322 B12R0.5 CCCCCCCCCCOCF 34a_100000210711_100015361967 [0,1,0,0,0,0|1,0,2]=4 2323 B12R0.5 CCCCCCCCCCOCF 7a_100000210711_100015361967 [0,1,0,0,0,0|1,0,2]=4 2324 B12R0.5 CCCCCCCCCCSCC 62a_100000210202_100000210320 [0,1,0,0,0,0|1,0,2]=4 2325 B12R0.5 CCCCCCCCCCSCF 62a_100015361967_100000210320 [0,1,0,0,0,0|1,0,2]=4 2326 B12R0.5 CCCCCCCCCNCC#N 2230a_100000212291_100011215382 [0,1,0,0,0,0|2,0,1]=4 2327 B12R0.5 CCCCCCCCCNCC=O 2230a_100000212291_200015260668 [0,1,0,0,0,0|1,0,2]=4 2328 B12R0.5 CCCCCCCCCNCC=O 34a_100000212291_200009817547 [0,1,0,0,0,0|1,0,2]=4 2329 B12R0.5 CCCCCCCCCNCCC 2230a_100000212291_100000210303 [0,1,0,0,0,0|1,0,2]=4 2330 B12R0.5 CCCCCCCCCNCCC 34a_100000212291_100000210303 [0,1,0,0,0,0|1,0,2]=4 2331 B12R0.5 CCCCCCCCCNCCF 2230a_100000212291_100011217306 [0,1,0,0,0,0|1,0,2]=4 2332 B12R0.5 CCCCCCCCCNCCF 34a_100000212291_100011217306 [0,1,0,0,0,0|1,0,2]=4 2333 B12R0.5 CCCCCCCCCNCCF 34a_100000724931_100011214924 [0,1,0,0,0,0|1,0,2]=4 2334 B12R0.5 CCCCCCCCCNCCO 2230a_100000212291_100000211926 [0,1,0,0,0,0|0,0,2]=3 2335 B12R0.5 CCCCCCCCCNCCO 2230a_100016997473_100011214924 [0,1,0,0,0,0|0,0,2]=3 2336 B12R0.5 CCCCCCCCCNCCO 34a_100000212291_100000211926 [0,1,0,0,0,0|0,0,2]=3 2337 B12R0.5 CCCCCCCCCNCCO 34a_100016990907_100011214924 [0,1,0,0,0,0|0,0,2]=3 2338 B12R0.5 CCCCCCCCCNCOC 2230a_100000212291_100000766300 [0,1,0,0,0,0|1,0,1]=3 2339 B12R0.5 CCCCCCCCCNCSC 2230a_100000212291_100011218213 [0,1,0,0,0,0|1,1,1]=4 2340 B12R0.5 CCCCCCCCCNCSC 34a_100000212291_100011218213 [0,1,0,0,0,0|1,1,1]=4 2341 B12R0.5 CCCCCCCCCOCC#N 7a_100000210712_100011215382 [0,1,0,0,0,0|2,0,1]=4 2342 B12R0.5 CCCCCCCCCOCC=O 34a_100000210712_200009817547 [0,1,0,0,0,0|1,0,2]=4 2343 B12R0.5 CCCCCCCCCOCC=O 7a_100000210712_200015260668 [0,1,0,0,0,0|1,0,2]=4 2344 B12R0.5 CCCCCCCCCOCCBr 34a_100000211926_100011214924 [0,1,0,0,0,0|1,0,2]=4 2345 B12R0.5 CCCCCCCCCOCCC 34a_100000210258_100011214924 [0,1,0,0,0,0|1,0,2]=4 2346 B12R0.5 CCCCCCCCCOCCC 34a_100000210712_100000210303 [0,1,0,0,0,0|1,0,2]=4 2347 B12R0.5 CCCCCCCCCOCCC 7a_100000210712_100000210303 [0,1,0,0,0,0|1,0,2]=4 2348 B12R0.5 CCCCCCCCCOCCF 34a_100000210712_100011217306 [0,1,0,0,0,0|1,0,2]=4 2349 B12R0.5 CCCCCCCCCOCCF 7a_100000210712_100011217306 [0,1,0,0,0,0|1,0,2]=4 2350 B12R0.5 CCCCCCCCCOCCN 34a_100000210304_100011214924 [0,1,0,0,0,0|1,0,2]=4 2351 B12R0.5 CCCCCCCCCOCCO 34a_100000210712_100000211926 [0,1,0,0,0,0|0,0,2]=3 2352 B12R0.5 CCCCCCCCCOCCO 7a_100000210712_100000211926 [0,1,0,0,0,0|0,0,2]=3 2353 B12R0.5 CCCCCCCCCOCSC 34a_100000210712_100011218213 [0,1,0,0,0,0|1,1,1]=4 2354 B12R0.5 CCCCCCCCCSCC#N 62a_100011215382_100000210670 [0,1,0,0,0,0|2,0,1]=4 2355 B12R0.5 CCCCCCCCCSCC=O 62a_200015260668_100000210670 [0,1,0,0,0,0|1,0,2]=4 2356 B12R0.5 CCCCCCCCCSCCC 62a_100000210303_100000210670 [0,1,0,0,0,0|1,0,2]=4 2357 B12R0.5 CCCCCCCCCSCCF 62a_100011217306_100000210670 [0,1,0,0,0,0|1,0,2]=4 2358 B12R0.5 CCCCCCCCCSCCO 62a_100000211926_100000210670 [0,1,0,0,0,0|0,0,2]=3 2359 B12R0.5 CCCCCCCCCSCOC 62a_100000766300_100000210670 [0,1,0,0,0,0|1,0,1]=3 2360 B12R0.5 CCCCCCCCCSCSC 62a_100011218213_100000210670 [0,1,0,0,0,0|1,1,1]=4 2361 B12R0.5 CCCCCCCCNCCC#N 2230a_100000229939_100011215226 [0,1,0,0,0,0|2,0,1]=4 2362 B12R0.5 CCCCCCCCNCCCC 2230a_100000102301_100000210759 [0,1,0,0,0,0|1,0,2]=4 2363 B12R0.5 CCCCCCCCNCCCC 2230a_100000229939_100000210211 [0,1,0,0,0,0|1,0,2]=4 2364 B12R0.5 CCCCCCCCNCCCC 34a_100000229939_100000210210 [0,1,0,0,0,0|1,0,2]=4 2365 B12R0.5 CCCCCCCCNCCCC 7a_106832991798_100000210759 [0,1,0,0,0,0|1,0,2]=4 2366 B12R0.5 CCCCCCCCNCCCF 2230a_100000229939_100011934791 [0,1,0,0,0,0|1,0,2]=4 2367 B12R0.5 CCCCCCCCNCCCF 2230a_100015189416_100000210759 [0,1,0,0,0,0|1,0,2]=4 2368 B12R0.5 CCCCCCCCNCCCF 34a_100000229939_100011934791 [0,1,0,0,0,0|1,0,2]=4 2369 B12R0.5 CCCCCCCCNCCCF 34a_100015189416_100000210759 [0,1,0,0,0,0|1,0,2]=4 2370 B12R0.5 CCCCCCCCNCCCO 2230a_100000229939_100000230001 [0,1,0,0,0,0|0,0,2]=3 2371 B12R0.5 CCCCCCCCNCCCO 34a_100000229939_100000230001 [0,1,0,0,0,0|0,0,2]=3 2372 B12R0.5 CCCCCCCCNCCOC 2230a_100000209980_100000210759 [0,1,0,0,0,0|1,0,1]=3 2373 B12R0.5 CCCCCCCCNCCOC 2230a_100000229939_100011201679 [0,1,0,0,0,0|1,0,1]=3 2374 B12R0.5 CCCCCCCCNCCOC 34a_100000229939_100011201679 [0,1,0,0,0,0|1,0,1]=3 2375 B12R0.5 CCCCCCCCNCCSC 2230a_100000229939_100000751147 [0,1,0,0,0,0|1,1,1]=4 2376 B12R0.5 CCCCCCCCNCCSC 2230a_100020590264_100000210759 [0,1,0,0,0,0|1,1,1]=4 2377 B12R0.5 CCCCCCCCNCCSC 34a_100000229939_100000212216 [0,1,0,0,0,0|1,1,1]=4 2378 B12R0.5 CCCCCCCCOCCC#N 7a_100000210232_100000184422 [0,1,0,0,0,0|2,0,1]=4 2379 B12R0.5 CCCCCCCCOCCCBr 34a_100011217188_100000210759 [0,1,0,0,0,0|1,0,2]=4 2380 B12R0.5 CCCCCCCCOCCCC 34a_100000210227_100000210759 [0,1,0,0,0,0|1,0,2]=4 2381 B12R0.5 CCCCCCCCOCCCC 34a_100000210232_100000210210 [0,1,0,0,0,0|1,0,2]=4 2382 B12R0.5 CCCCCCCCOCCCC 7a_100000210227_100000210759 [0,1,0,0,0,0|1,0,2]=4 2383 B12R0.5 CCCCCCCCOCCCC 7a_100000210232_100000210211 [0,1,0,0,0,0|1,0,2]=4 2384 B12R0.5 CCCCCCCCOCCCCl 34a_100000230001_100000210759 [0,1,0,0,0,0|1,0,2]=4 2385 B12R0.5 CCCCCCCCOCCCF 34a_100000210232_100011934791 [0,1,0,0,0,0|1,0,2]=4 2386 B12R0.5 CCCCCCCCOCCCF 34a_100000759539_100000210759 [0,1,0,0,0,0|1,0,2]=4 2387 B12R0.5 CCCCCCCCOCCCF 7a_100000210232_100011934791 [0,1,0,0,0,0|1,0,2]=4 2388 B12R0.5 CCCCCCCCOCCCN 34a_100000182051_100000210759 [0,1,0,0,0,0|1,0,2]=4 2389 B12R0.5 CCCCCCCCOCCCO 34a_100000210232_100000230001 [0,1,0,0,0,0|0,0,2]=3 2390 B12R0.5 CCCCCCCCOCCCO 7a_100000210232_100011215043 [0,1,0,0,0,0|0,0,2]=3 2391 B12R0.5 CCCCCCCCOCCOC 34a_100000210232_100011201679 [0,1,0,0,0,0|1,0,1]=3 2392 B12R0.5 CCCCCCCCOCCOC 34a_100000210237_100000210759 [0,1,0,0,0,0|1,0,1]=3 2393 B12R0.5 CCCCCCCCOCCOC 7a_100000210232_100000233755 [0,1,0,0,0,0|1,0,1]=3 2394 B12R0.5 CCCCCCCCOCCON 34a_100000700252_100000210759 [0,1,0,0,0,0|1,0,1]=3 2395 B12R0.5 CCCCCCCCOCCSC 34a_100000210232_100000212216 [0,1,0,0,0,0|1,1,1]=4 2396 B12R0.5 CCCCCCCCOCCSC 34a_100000230434_100000210759 [0,1,0,0,0,0|1,1,1]=4 2397 B12R0.5 CCCCCCCCOCCSC 7a_100000210232_100000212216 [0,1,0,0,0,0|1,1,1]=4 2398 B12R0.5 CCCCCCCCOCCSC 7a_100000230434_100000210759 [0,1,0,0,0,0|1,1,1]=4 2399 B12R0.5 CCCCCCCCSCCC#N 62a_100000210759_100011215226 [0,1,0,0,0,0|2,0,1]=4 2400 B12R0.5 CCCCCCCCSCCC#N 62a_100011215226_100000210317 [0,1,0,0,0,0|2,0,1]=4 2401 B12R0.5 CCCCCCCCSCCCC 62a_100000210211_100000210317 [0,1,0,0,0,0|1,0,2]=4 2402 B12R0.5 CCCCCCCCSCCCC 62a_100000210759_100000210210 [0,1,0,0,0,0|1,0,2]=4 2403 B12R0.5 CCCCCCCCSCCCF 62a_100000210759_100011934791 [0,1,0,0,0,0|1,0,2]=4 2404 B12R0.5 CCCCCCCCSCCCF 62a_100011934791_100000210317 [0,1,0,0,0,0|1,0,2]=4 2405 B12R0.5 CCCCCCCCSCCCO 62a_100000210759_100011215043 [0,1,0,0,0,0|0,0,2]=3 2406 B12R0.5 CCCCCCCCSCCCO 62a_100011215043_100000210317 [0,1,0,0,0,0|0,0,2]=3 2407 B12R0.5 CCCCCCCCSCCOC 62a_100000210759_100000233755 [0,1,0,0,0,0|1,0,1]=3 2408 B12R0.5 CCCCCCCCSCCOC 62a_100000233755_100000210317 [0,1,0,0,0,0|1,0,1]=3 2409 B12R0.5 CCCCCCCCSCCSC 62a_100000210759_100000751147 [0,1,0,0,0,0|1,1,1]=4 2410 B12R0.5 CCCCCCCCSCCSC 62a_100000212216_100000210317 [0,1,0,0,0,0|1,1,1]=4 2411 B12R0.5 CCCCCCCCSCOCC 62a_100000210759_100000739092 [0,1,0,0,0,0|2,0,1]=4 2412 B12R0.5 CCCCCCCCSCOCC 62a_100000739092_100000210317 [0,1,0,0,0,0|2,0,1]=4 2413 B12R0.5 CCCCCCCNCC#CCO 2230a_100000229938_200000047223 [0,1,0,0,0,0|0,0,2]=3 2414 B12R0.5 CCCCCCCNCCCCC 2230a_100000209983_100000210681 [0,1,0,0,0,0|1,0,2]=4 2415 B12R0.5 CCCCCCCNCCCCC 2230a_100000229938_100000210326 [0,1,0,0,0,0|1,0,2]=4 2416 B12R0.5 CCCCCCCNCCCCF 2230a_100000229938_100000729493 [0,1,0,0,0,0|1,0,2]=4 2417 B12R0.5 CCCCCCCNCCCCO 2230a_100000229938_100000210776 [0,1,0,0,0,0|0,0,2]=3 2418 B12R0.5 CCCCCCCNCCCCO 2230a_100000750430_100000210681 [0,1,0,0,0,0|0,0,2]=3 2419 B12R0.5 CCCCCCCNCCCCO 34a_100000750430_100000210614 [0,1,0,0,0,0|0,0,2]=3 2420 B12R0.5 CCCCCCCNCCCOC 2230a_100000229938_100000740836 [0,1,0,0,0,0|1,0,2]=4 2421 B12R0.5 CCCCCCCNCCCOC 34a_100150723488_100000210614 [0,1,0,0,0,0|1,0,2]=4 2422 B12R0.5 CCCCCCCNCCOCC 2230a_100000229938_100011215890 [0,1,0,0,0,0|2,0,1]=4 2423 B12R0.5 CCCCCCCNCCOCC 2230a_102516460346_100000210681 [0,1,0,0,0,0|2,0,1]=4 2424 B12R0.5 CCCCCCCNCCOCC 34a_102516460346_100000210614 [0,1,0,0,0,0|2,0,1]=4 2425 B12R0.5 CCCCCCCNCCSCC 2230a_100000106463_100000210681 [0,1,0,0,0,0|2,0,1]=4 2426 B12R0.5 CCCCCCCNCCSCC 2230a_100000229938_100000757381 [0,1,0,0,0,0|2,0,1]=4 2427 B12R0.5 CCCCCCCOCC#CCCl 34a_200000047223_100000210614 [0,1,0,0,0,0|1,0,2]=4 2428 B12R0.5 CCCCCCCOCC#CCO 34a_100000210272_200000047223 [0,1,0,0,0,0|0,0,2]=3 2429 B12R0.5 CCCCCCCOCC#CCO 7a_100000210272_200000047223 [0,1,0,0,0,0|0,0,2]=3 2430 B12R0.5 CCCCCCCOCCCCBr 34a_100011216708_100000210614 [0,1,0,0,0,0|1,0,2]=4 2431 B12R0.5 CCCCCCCOCCCCC 34a_100000210253_100000210614 [0,1,0,0,0,0|1,0,2]=4 2432 B12R0.5 CCCCCCCOCCCCC 34a_100000210272_100000718602 [0,1,0,0,0,0|1,0,2]=4 2433 B12R0.5 CCCCCCCOCCCCC 7a_100000210253_100000210614 [0,1,0,0,0,0|1,0,2]=4 2434 B12R0.5 CCCCCCCOCCCCC 7a_100000210272_100000210326 [0,1,0,0,0,0|1,0,2]=4 2435 B12R0.5 CCCCCCCOCCCCCl 34a_100000210776_100000210614 [0,1,0,0,0,0|1,0,2]=4 2436 B12R0.5 CCCCCCCOCCCCCl 7a_100000210776_100000210614 [0,1,0,0,0,0|1,0,2]=4 2437 B12R0.5 CCCCCCCOCCCCF 34a_100000210272_100000729493 [0,1,0,0,0,0|1,0,2]=4 2438 B12R0.5 CCCCCCCOCCCCF 34a_100011995726_100000210614 [0,1,0,0,0,0|1,0,2]=4 2439 B12R0.5 CCCCCCCOCCCCF 7a_100000210272_100000729493 [0,1,0,0,0,0|1,0,2]=4 2440 B12R0.5 CCCCCCCOCCCCF 7a_100011995726_100000210614 [0,1,0,0,0,0|1,0,2]=4 2441 B12R0.5 CCCCCCCOCCCCI 34a_200012148704_100000210614 [0,1,0,0,0,0|1,0,2]=4 2442 B12R0.5 CCCCCCCOCCCCN 34a_100000750430_100000210614 [0,1,0,0,0,0|1,0,2]=4 2443 B12R0.5 CCCCCCCOCCCCO 34a_100000210272_100011216708 [0,1,0,0,0,0|0,0,2]=3 2444 B12R0.5 CCCCCCCOCCCCO 7a_100000210272_100000210776 [0,1,0,0,0,0|0,0,2]=3 2445 B12R0.5 CCCCCCCOCCCOC 34a_100000210272_100000740836 [0,1,0,0,0,0|1,0,2]=4 2446 B12R0.5 CCCCCCCOCCCOC 34a_100000740835_100000210614 [0,1,0,0,0,0|1,0,2]=4 2447 B12R0.5 CCCCCCCOCCCOC 7a_100000210272_100000740836 [0,1,0,0,0,0|1,0,2]=4 2448 B12R0.5 CCCCCCCOCCOCC 34a_100000210136_100000210614 [0,1,0,0,0,0|2,0,1]=4 2449 B12R0.5 CCCCCCCOCCOCC 34a_100000210272_100000210147 [0,1,0,0,0,0|2,0,1]=4 2450 B12R0.5 CCCCCCCOCCOCC 7a_100000210136_100000210614 [0,1,0,0,0,0|2,0,1]=4 2451 B12R0.5 CCCCCCCOCCOCC 7a_100000210272_100011215890 [0,1,0,0,0,0|2,0,1]=4 2452 B12R0.5 CCCCCCCOCCSCC 34a_100000210272_100000757381 [0,1,0,0,0,0|2,0,1]=4 2453 B12R0.5 CCCCCCCOCCSCC 34a_100000212035_100000210614 [0,1,0,0,0,0|2,0,1]=4 2454 B12R0.5 CCCCCCCOCCSCC 7a_100000210272_100000757381 [0,1,0,0,0,0|2,0,1]=4 2455 B12R0.5 CCCCCCCOCCSCC 7a_100000212035_100000210614 [0,1,0,0,0,0|2,0,1]=4 2456 B12R0.5 CCCCCCCSCC#CCO 62a_100000210614_200000047223 [0,1,0,0,0,0|0,0,2]=3 2457 B12R0.5 CCCCCCCSCC#CCO 62a_200000047223_100000210316 [0,1,0,0,0,0|0,0,2]=3 2458 B12R0.5 CCCCCCCSCCCCC 62a_100000210326_100000210316 [0,1,0,0,0,0|1,0,2]=4 2459 B12R0.5 CCCCCCCSCCCCC 62a_100000210614_100000210326 [0,1,0,0,0,0|1,0,2]=4 2460 B12R0.5 CCCCCCCSCCCCF 62a_100000210614_100000729493 [0,1,0,0,0,0|1,0,2]=4 2461 B12R0.5 CCCCCCCSCCCCF 62a_100000729493_100000210316 [0,1,0,0,0,0|1,0,2]=4 2462 B12R0.5 CCCCCCCSCCCCO 62a_100000210614_100000210776 [0,1,0,0,0,0|0,0,2]=3 2463 B12R0.5 CCCCCCCSCCCCO 62a_100000210776_100000210316 [0,1,0,0,0,0|0,0,2]=3 2464 B12R0.5 CCCCCCCSCCCOC 62a_100000210614_100000709357 [0,1,0,0,0,0|1,0,2]=4 2465 B12R0.5 CCCCCCCSCCCOC 62a_100000709357_100000210316 [0,1,0,0,0,0|1,0,2]=4 2466 B12R0.5 CCCCCCCSCCOCC 62a_100000210147_100000210316 [0,1,0,0,0,0|2,0,1]=4 2467 B12R0.5 CCCCCCCSCCOCC 62a_100000210614_100011215890 [0,1,0,0,0,0|2,0,1]=4 2468 B12R0.5 CCCCCCCSCCSCC 62a_100000210614_100000757381 [0,1,0,0,0,0|2,0,1]=4 2469 B12R0.5 CCCCCCCSCCSCC 62a_100000757381_100000210316 [0,1,0,0,0,0|2,0,1]=4 2470 B12R0.5 CCCCCCNCCCCCC 2230a_100000210581_100000210314 [0,1,0,0,0,0|1,0,2]=4 2471 B12R0.5 CCCCCCNCCCCCF 2230a_100000210581_100000729378 [0,1,0,0,0,0|1,0,2]=4 2472 B12R0.5 CCCCCCNCCCCCO 2230a_100000210581_100000746330 [0,1,0,0,0,0|0,0,2]=3 2473 B12R0.5 CCCCCCNCCCCCO 2230a_100000762737_100000210314 [0,1,0,0,0,0|0,0,2]=3 2474 B12R0.5 CCCCCCNCCCCCO 34a_100000762737_100000210314 [0,1,0,0,0,0|0,0,2]=3 2475 B12R0.5 CCCCCCNCCCCOC 2230a_100000210581_100000730899 [0,1,0,0,0,0|1,0,2]=4 2476 B12R0.5 CCCCCCNCCCOCC 2230a_100000210581_100012232248 [0,1,0,0,0,0|2,0,1]=4 2477 B12R0.5 CCCCCCNCCCOCC 2230a_100000210961_100000210314 [0,1,0,0,0,0|2,0,1]=4 2478 B12R0.5 CCCCCCNCCCOCC 34a_100000210961_100000210314 [0,1,0,0,0,0|2,0,1]=4 2479 B12R0.5 CCCCCCNCCOCCC 2230a_100000210581_100011215938 [0,1,0,0,0,0|2,0,1]=4 2480 B12R0.5 CCCCCCNCCOCCC 2230a_100161115042_100000210314 [0,1,0,0,0,0|2,0,1]=4 2481 B12R0.5 CCCCCCNCCOCCC 34a_100161115042_100000210314 [0,1,0,0,0,0|2,0,1]=4 2482 B12R0.5 CCCCCCNCCOCCO 2230a_100000210581_100011215305 [0,1,0,0,0,0|1,0,1]=3 2483 B12R0.5 CCCCCCNCCOCCO 2230a_100000211614_100000210314 [0,1,0,0,0,0|1,0,1]=3 2484 B12R0.5 CCCCCCNCCOCCO 34a_100000211614_100000210314 [0,1,0,0,0,0|1,0,1]=3 2485 B12R0.5 CCCCCCNCCSCCC 2230a_100020603323_100000210314 [0,1,0,0,0,0|2,0,1]=4 2486 B12R0.5 CCCCCCNCCSCCO 2230a_100011219999_100000210314 [0,1,0,0,0,0|1,0,1]=3 2487 B12R0.5 CCCCCCNCOCCOC 2230a_100000210581_100000231047 [0,1,0,0,0,0|2,0,1]=4 2488 B12R0.5 CCCCCCOCCCCCBr 34a_100000746331_100000210314 [0,1,0,0,0,0|1,0,2]=4 2489 B12R0.5 CCCCCCOCCCCCBr 7a_100000746331_100000210314 [0,1,0,0,0,0|1,0,2]=4 2490 B12R0.5 CCCCCCOCCCCCC 34a_100000210259_100000210314 [0,1,0,0,0,0|1,0,2]=4 2491 B12R0.5 CCCCCCOCCCCCC 7a_100000210259_100000210314 [0,1,0,0,0,0|1,0,2]=4 2492 B12R0.5 CCCCCCOCCCCCCl 34a_100000746330_100000210314 [0,1,0,0,0,0|1,0,2]=4 2493 B12R0.5 CCCCCCOCCCCCCl 7a_100000746330_100000210314 [0,1,0,0,0,0|1,0,2]=4 2494 B12R0.5 CCCCCCOCCCCCF 34a_100000210259_100000729378 [0,1,0,0,0,0|1,0,2]=4 2495 B12R0.5 CCCCCCOCCCCCF 7a_100000210259_100000729378 [0,1,0,0,0,0|1,0,2]=4 2496 B12R0.5 CCCCCCOCCCCCI 34a_200012148887_100000210314 [0,1,0,0,0,0|1,0,2]=4 2497 B12R0.5 CCCCCCOCCCCCI 7a_200012148887_100000210314 [0,1,0,0,0,0|1,0,2]=4 2498 B12R0.5 CCCCCCOCCCCCN 34a_100000762737_100000210314 [0,1,0,0,0,0|1,0,2]=4 2499 B12R0.5 CCCCCCOCCCCCO 34a_100000210259_100000746330 [0,1,0,0,0,0|0,0,2]=3 2500 B12R0.5 CCCCCCOCCCCCO 7a_100000210259_100000746330 [0,1,0,0,0,0|0,0,2]=3 2501 B12R0.5 CCCCCCOCCCCOC 34a_100000210259_100000755781 [0,1,0,0,0,0|1,0,2]=4 2502 B12R0.5 CCCCCCOCCCCOC 34a_100000740925_100000210314 [0,1,0,0,0,0|1,0,2]=4 2503 B12R0.5 CCCCCCOCCCCOC 7a_100000210259_100000730899 [0,1,0,0,0,0|1,0,2]=4 2504 B12R0.5 CCCCCCOCCCOCC 34a_100000210259_100012232248 [0,1,0,0,0,0|2,0,1]=4 2505 B12R0.5 CCCCCCOCCCOCC 34a_100000757476_100000210314 [0,1,0,0,0,0|2,0,1]=4 2506 B12R0.5 CCCCCCOCCCOCC 7a_100000210259_100012232248 [0,1,0,0,0,0|2,0,1]=4 2507 B12R0.5 CCCCCCOCCCOCC 7a_100000757476_100000210314 [0,1,0,0,0,0|2,0,1]=4 2508 B12R0.5 CCCCCCOCCCSCC 34a_100011216438_100000210314 [0,1,0,0,0,0|2,0,1]=4 2509 B12R0.5 CCCCCCOCCCSCC 7a_100011216438_100000210314 [0,1,0,0,0,0|2,0,1]=4 2510 B12R0.5 CCCCCCOCCOCCBr 34a_100000692535_100000210314 [0,1,0,0,0,0|2,0,1]=4 2511 B12R0.5 CCCCCCOCCOCCBr 7a_100000692535_100000210314 [0,1,0,0,0,0|2,0,1]=4 2512 B12R0.5 CCCCCCOCCOCCC 34a_100000210259_100011215938 [0,1,0,0,0,0|2,0,1]=4 2513 B12R0.5 CCCCCCOCCOCCC 34a_100000691444_100000210303 [0,1,0,0,0,0|2,0,1]=4 2514 B12R0.5 CCCCCCOCCOCCC 34a_100000752267_100000210314 [0,1,0,0,0,0|2,0,1]=4 2515 B12R0.5 CCCCCCOCCOCCC 7a_100000210259_100011215938 [0,1,0,0,0,0|2,0,1]=4 2516 B12R0.5 CCCCCCOCCOCCC 7a_100000691444_100000210303 [0,1,0,0,0,0|2,0,1]=4 2517 B12R0.5 CCCCCCOCCOCCC 7a_100000752267_100000210314 [0,1,0,0,0,0|2,0,1]=4 2518 B12R0.5 CCCCCCOCCOCCCl 34a_100011215305_100000210314 [0,1,0,0,0,0|2,0,1]=4 2519 B12R0.5 CCCCCCOCCOCCCl 7a_100011215305_100000210314 [0,1,0,0,0,0|2,0,1]=4 2520 B12R0.5 CCCCCCOCCOCCF 34a_100000691444_100011217306 [0,1,0,0,0,0|2,0,1]=4 2521 B12R0.5 CCCCCCOCCOCCF 34a_200015357709_100000210314 [0,1,0,0,0,0|2,0,1]=4 2522 B12R0.5 CCCCCCOCCOCCF 7a_100000691444_100011217306 [0,1,0,0,0,0|2,0,1]=4 2523 B12R0.5 CCCCCCOCCOCCF 7a_200015357709_100000210314 [0,1,0,0,0,0|2,0,1]=4 2524 B12R0.5 CCCCCCOCCOCCI 34a_100012149058_100000210314 [0,1,0,0,0,0|2,0,1]=4 2525 B12R0.5 CCCCCCOCCOCCI 7a_100012149058_100000210314 [0,1,0,0,0,0|2,0,1]=4 2526 B12R0.5 CCCCCCOCCOCCN 34a_100000211614_100000210314 [0,1,0,0,0,0|2,0,1]=4 2527 B12R0.5 CCCCCCOCCOCCO 34a_100000210259_100000692535 [0,1,0,0,0,0|1,0,1]=3 2528 B12R0.5 CCCCCCOCCOCCO 34a_100000691444_100000211926 [0,1,0,0,0,0|1,0,1]=3 2529 B12R0.5 CCCCCCOCCOCCO 7a_100000210259_100011215305 [0,1,0,0,0,0|1,0,1]=3 2530 B12R0.5 CCCCCCOCCOCCO 7a_100000691444_100000211926 [0,1,0,0,0,0|1,0,1]=3 2531 B12R0.5 CCCCCCOCCSCCC 34a_200000230433_100000210314 [0,1,0,0,0,0|2,0,1]=4 2532 B12R0.5 CCCCCCOCCSCCC 7a_200000230433_100000210314 [0,1,0,0,0,0|2,0,1]=4 2533 B12R0.5 CCCCCCSCCCCCC 62a_100000210314_100000210757 [0,1,0,0,0,0|1,0,2]=4 2534 B12R0.5 CCCCCCSCCCCCF 62a_100000210314_100000729378 [0,1,0,0,0,0|1,0,2]=4 2535 B12R0.5 CCCCCCSCCCCCF 62a_100000729378_100000210757 [0,1,0,0,0,0|1,0,2]=4 2536 B12R0.5 CCCCCCSCCCCCO 62a_100000210314_100000746330 [0,1,0,0,0,0|0,0,2]=3 2537 B12R0.5 CCCCCCSCCCCCO 62a_100000746330_100000210757 [0,1,0,0,0,0|0,0,2]=3 2538 B12R0.5 CCCCCCSCCCCOC 62a_100000210314_100000730899 [0,1,0,0,0,0|1,0,2]=4 2539 B12R0.5 CCCCCCSCCCCOC 62a_100000730899_100000210757 [0,1,0,0,0,0|1,0,2]=4 2540 B12R0.5 CCCCCCSCCCOCC 62a_100000210314_100012232248 [0,1,0,0,0,0|2,0,1]=4 2541 B12R0.5 CCCCCCSCCCOCC 62a_100012232248_100000210757 [0,1,0,0,0,0|2,0,1]=4 2542 B12R0.5 CCCCCCSCCOCCC 62a_100000210314_100011215938 [0,1,0,0,0,0|2,0,1]=4 2543 B12R0.5 CCCCCCSCCOCCC 62a_100011215938_100000210757 [0,1,0,0,0,0|2,0,1]=4 2544 B12R0.5 CCCCCCSCCOCCO 62a_100000210314_100011215305 [0,1,0,0,0,0|1,0,1]=3 2545 B12R0.5 CCCCCCSCCOCCO 62a_100011215305_100000210757 [0,1,0,0,0,0|1,0,1]=3 2546 B12R0.5 CCCCCCSCOCCOC 62a_100000210314_100000231047 [0,1,0,0,0,0|2,0,1]=4 2547 B12R0.5 CCCCCCSCOCCOC 62a_100000231047_100000210757 [0,1,0,0,0,0|2,0,1]=4 2548 B12R0.5 CCCCCNCCCCCCF 2230a_100000209983_100015922095 [0,1,0,0,0,0|1,0,2]=4 2549 B12R0.5 CCCCCNCCCCCCO 2230a_100000209983_100000766143 [0,1,0,0,0,0|0,0,2]=3 2550 B12R0.5 CCCCCNCCCCCCO 2230a_100000686447_100000210326 [0,1,0,0,0,0|0,0,2]=3 2551 B12R0.5 CCCCCNCCCCCCO 34a_100000686447_100000718602 [0,1,0,0,0,0|0,0,2]=3 2552 B12R0.5 CCCCCNCCCCCOC 2230a_100000747528_100000210326 [0,1,0,0,0,0|1,0,2]=4 2553 B12R0.5 CCCCCNCCCCCOC 34a_100000747528_100000718602 [0,1,0,0,0,0|1,0,2]=4 2554 B12R0.5 CCCCCNCCCOCCC 2230a_100011217757_100000210326 [0,1,0,0,0,0|2,0,1]=4 2555 B12R0.5 CCCCCNCCCOCCC 34a_100011217757_100000718602 [0,1,0,0,0,0|2,0,1]=4 2556 B12R0.5 CCCCCNCCOCCCO 34a_100000224656_100000230001 [0,1,0,0,0,0|1,0,2]=4 2557 B12R0.5 CCCCCNCCOCCOC 2230a_100000209983_100000695917 [0,1,0,0,0,0|2,0,1]=4 2558 B12R0.5 CCCCCNCCOCCOC 2230a_100000745349_100000210326 [0,1,0,0,0,0|2,0,1]=4 2559 B12R0.5 CCCCCNCCOCCOC 34a_100000224656_100011201679 [0,1,0,0,0,0|2,0,1]=4 2560 B12R0.5 CCCCCNCCOCCOC 34a_100000745349_100000718602 [0,1,0,0,0,0|2,0,1]=4 2561 B12R0.5 CCCCCOCCCCCCBr 34a_100011215345_100000718602 [0,1,0,0,0,0|1,0,2]=4 2562 B12R0.5 CCCCCOCCCCCCBr 7a_100011215345_100000210326 [0,1,0,0,0,0|1,0,2]=4 2563 B12R0.5 CCCCCOCCCCCCCl 34a_100000766143_100000718602 [0,1,0,0,0,0|1,0,2]=4 2564 B12R0.5 CCCCCOCCCCCCCl 7a_100000766143_100000210326 [0,1,0,0,0,0|1,0,2]=4 2565 B12R0.5 CCCCCOCCCCCCF 34a_100000210253_100015922095 [0,1,0,0,0,0|1,0,2]=4 2566 B12R0.5 CCCCCOCCCCCCF 34a_100000732779_100000718602 [0,1,0,0,0,0|1,0,2]=4 2567 B12R0.5 CCCCCOCCCCCCF 7a_100000210253_100015922095 [0,1,0,0,0,0|1,0,2]=4 2568 B12R0.5 CCCCCOCCCCCCF 7a_100000732779_100000210326 [0,1,0,0,0,0|1,0,2]=4 2569 B12R0.5 CCCCCOCCCCCCN 34a_100000686447_100000718602 [0,1,0,0,0,0|1,0,2]=4 2570 B12R0.5 CCCCCOCCCCCCO 34a_100000210253_100000766143 [0,1,0,0,0,0|0,0,2]=3 2571 B12R0.5 CCCCCOCCCCCCO 7a_100000210253_100000766143 [0,1,0,0,0,0|0,0,2]=3 2572 B12R0.5 CCCCCOCCOCCCO 34a_100011215259_100000230001 [0,1,0,0,0,0|1,0,2]=4 2573 B12R0.5 CCCCCOCCOCCCO 7a_100011215259_100011215043 [0,1,0,0,0,0|1,0,2]=4 2574 B12R0.5 CCCCCOCCOCCOC 34a_100000210253_100000695917 [0,1,0,0,0,0|2,0,1]=4 2575 B12R0.5 CCCCCOCCOCCOC 34a_100011215163_100000718602 [0,1,0,0,0,0|2,0,1]=4 2576 B12R0.5 CCCCCOCCOCCOC 34a_100011215259_100011201679 [0,1,0,0,0,0|2,0,1]=4 2577 B12R0.5 CCCCCOCCOCCOC 7a_100000210253_100000695917 [0,1,0,0,0,0|2,0,1]=4 2578 B12R0.5 CCCCCOCCOCCOC 7a_100011215163_100000210326 [0,1,0,0,0,0|2,0,1]=4 2579 B12R0.5 CCCCCOCCOCCOC 7a_100011215259_100000233755 [0,1,0,0,0,0|2,0,1]=4 2580 B12R0.5 CCCCCSCCCCCCF 62a_100000210326_100015922095 [0,1,0,0,0,0|1,0,2]=4 2581 B12R0.5 CCCCCSCCCCCCF 62a_100015922095_100000210326 [0,1,0,0,0,0|1,0,2]=4 2582 B12R0.5 CCCCCSCCCCCCO 62a_100000210326_100000766143 [0,1,0,0,0,0|0,0,2]=3 2583 B12R0.5 CCCCCSCCCCCCO 62a_100000766143_100000210326 [0,1,0,0,0,0|0,0,2]=3 2584 B12R0.5 CCCCCSCCOCCOC 62a_100000210326_100000695917 [0,1,0,0,0,0|2,0,1]=4 2585 B12R0.5 CCCCCSCCOCCOC 62a_100000695917_100000210326 [0,1,0,0,0,0|2,0,1]=4 2586 B12R0.5 CCCCNCCCCCCCO 2230a_100000102301_100000760002 [0,1,0,0,0,0|0,0,2]=3 2587 B12R0.5 CCCCNCCCCCCCO 2230a_100011996573_100000210211 [0,1,0,0,0,0|0,0,2]=3 2588 B12R0.5 CCCCNCCCCCCCO 34a_100011996573_100000210210 [0,1,0,0,0,0|0,0,2]=3 2589 B12R0.5 CCCCNCCCCCCCO 7a_106832991798_100000760002 [0,1,0,0,0,0|0,0,2]=3 2590 B12R0.5 CCCCNCCCCCCOC 2230a_100000102301_100011998445 [0,1,0,0,0,0|1,0,2]=4 2591 B12R0.5 CCCCNCCCCCCOC 7a_106832991798_100011998445 [0,1,0,0,0,0|1,0,2]=4 2592 B12R0.5 CCCCNCCCCOCCC 34a_200011216965_100000210303 [0,1,0,0,0,0|2,0,1]=4 2593 B12R0.5 CCCCNCCCCOCCF 34a_200011216965_100011217306 [0,1,0,0,0,0|2,0,1]=4 2594 B12R0.5 CCCCNCCCCOCCO 34a_200011216965_100000211926 [0,1,0,0,0,0|1,0,1]=3 2595 B12R0.5 CCCCNCCCOCCCO 2230a_100011310245_100000210211 [0,1,0,0,0,0|1,0,2]=4 2596 B12R0.5 CCCCNCCCOCCCO 34a_100011310245_100000210210 [0,1,0,0,0,0|1,0,2]=4 2597 B12R0.5 CCCCNCCCOCCOC 2230a_100000102301_100011216529 [0,1,0,0,0,0|2,0,1]=4 2598 B12R0.5 CCCCNCCCOCCOC 2230a_100000206027_100000210211 [0,1,0,0,0,0|2,0,1]=4 2599 B12R0.5 CCCCNCCCOCCOC 34a_100000206027_100000210210 [0,1,0,0,0,0|2,0,1]=4 2600 B12R0.5 CCCCNCCCOCCOC 7a_106832991798_100011216529 [0,1,0,0,0,0|2,0,1]=4 2601 B12R0.5 CCCCOCCCCCCCBr 34a_100000760002_100000210210 [0,1,0,0,0,0|1,0,2]=4 2602 B12R0.5 CCCCOCCCCCCCBr 7a_100000760002_100000210211 [0,1,0,0,0,0|1,0,2]=4 2603 B12R0.5 CCCCOCCCCCCCN 34a_100011996573_100000210210 [0,1,0,0,0,0|1,0,2]=4 2604 B12R0.5 CCCCOCCCCCCCO 34a_100000210227_100000760002 [0,1,0,0,0,0|0,0,2]=3 2605 B12R0.5 CCCCOCCCCCCCO 7a_100000210227_100000760002 [0,1,0,0,0,0|0,0,2]=3 2606 B12R0.5 CCCCOCCCCCCOC 34a_100000210227_100011998445 [0,1,0,0,0,0|1,0,2]=4 2607 B12R0.5 CCCCOCCCCCCOC 34a_200012092642_100000210210 [0,1,0,0,0,0|1,0,2]=4 2608 B12R0.5 CCCCOCCCCCCOC 7a_100000210227_100011998445 [0,1,0,0,0,0|1,0,2]=4 2609 B12R0.5 CCCCOCCCCCCOC 7a_200012092642_100000210211 [0,1,0,0,0,0|1,0,2]=4 2610 B12R0.5 CCCCOCCCCOCCC 34a_200000760531_100000210303 [0,1,0,0,0,0|2,0,1]=4 2611 B12R0.5 CCCCOCCCCOCCC 7a_200000760531_100000210303 [0,1,0,0,0,0|2,0,1]=4 2612 B12R0.5 CCCCOCCCCOCCF 34a_200000760531_100011217306 [0,1,0,0,0,0|2,0,1]=4 2613 B12R0.5 CCCCOCCCCOCCF 7a_200000760531_100011217306 [0,1,0,0,0,0|2,0,1]=4 2614 B12R0.5 CCCCOCCCCOCCO 34a_200000760531_100000211926 [0,1,0,0,0,0|1,0,1]=3 2615 B12R0.5 CCCCOCCCCOCCO 7a_200000760531_100000211926 [0,1,0,0,0,0|1,0,1]=3 2616 B12R0.5 CCCCOCCCNCCCO 2230a_200000211371_100000230001 [0,1,0,0,0,0|1,0,2]=4 2617 B12R0.5 CCCCOCCCNCCCO 34a_200000211371_100000230001 [0,1,0,0,0,0|1,0,2]=4 2618 B12R0.5 CCCCOCCCNCCOC 2230a_200000211371_100011201679 [0,1,0,0,0,0|2,0,1]=4 2619 B12R0.5 CCCCOCCCNCCOC 34a_200000211371_100011201679 [0,1,0,0,0,0|2,0,1]=4 2620 B12R0.5 CCCCOCCCOCCCO 34a_200011215613_100000230001 [0,1,0,0,0,0|1,0,2]=4 2621 B12R0.5 CCCCOCCCOCCCO 7a_200011215613_100011215043 [0,1,0,0,0,0|1,0,2]=4 2622 B12R0.5 CCCCOCCCOCCOC 34a_100000210227_100011216529 [0,1,0,0,0,0|2,0,1]=4 2623 B12R0.5 CCCCOCCCOCCOC 34a_200011215613_100011201679 [0,1,0,0,0,0|2,0,1]=4 2624 B12R0.5 CCCCOCCCOCCOC 7a_100000210227_100011216529 [0,1,0,0,0,0|2,0,1]=4 2625 B12R0.5 CCCCOCCCOCCOC 7a_200011215613_100000233755 [0,1,0,0,0,0|2,0,1]=4 2626 B12R0.5 CCCCOCCNCCCCO 2230a_100000750430_100000743108 [0,1,0,0,0,0|1,0,2]=4 2627 B12R0.5 CCCCOCCNCCCCO 34a_100000750430_100000743108 [0,1,0,0,0,0|1,0,2]=4 2628 B12R0.5 CCCCOCCOCC#CCO 34a_100000210238_200000047223 [0,1,0,0,0,0|1,0,2]=4 2629 B12R0.5 CCCCOCCOCC#CCO 7a_100000210238_200000047223 [0,1,0,0,0,0|1,0,2]=4 2630 B12R0.5 CCCCOCCOCCCCO 34a_100000210238_100011216708 [0,1,0,0,0,0|1,0,2]=4 2631 B12R0.5 CCCCOCCOCCCCO 7a_100000210238_100000210776 [0,1,0,0,0,0|1,0,2]=4 2632 B12R0.5 CCCCOCCSCC#CCO 62a_100000743108_200000047223 [0,1,0,0,0,0|1,0,2]=4 2633 B12R0.5 CCCCOCCSCC#CCO 62a_200000047223_100000743108 [0,1,0,0,0,0|1,0,2]=4 2634 B12R0.5 CCCCOCCSCCCCO 62a_100000210776_100000743108 [0,1,0,0,0,0|1,0,2]=4 2635 B12R0.5 CCCCOCCSCCCCO 62a_100000743108_100000210776 [0,1,0,0,0,0|1,0,2]=4 2636 B12R0.5 CCCCOCNCCCCCO 2230a_100000762737_100011995733 [0,1,0,0,0,0|1,0,2]=4 2637 B12R0.5 CCCCOCNCCCCCO 34a_100000762737_100011995733 [0,1,0,0,0,0|1,0,2]=4 2638 B12R0.5 CCCCOCNCCOCCO 2230a_100000211614_100011995733 [0,1,0,0,0,0|2,0,1]=4 2639 B12R0.5 CCCCOCNCCOCCO 34a_100000211614_100011995733 [0,1,0,0,0,0|2,0,1]=4 2640 B12R0.5 CCCCOCNCCSCCO 2230a_100011219999_100011995733 [0,1,0,0,0,0|2,0,1]=4 2641 B12R0.5 CCCCOCSCCCCCO 62a_100000746330_100011995733 [0,1,0,0,0,0|1,0,2]=4 2642 B12R0.5 CCCCOCSCCCCCO 62a_100011995733_100000746330 [0,1,0,0,0,0|1,0,2]=4 2643 B12R0.5 CCCCOCSCCOCCO 62a_100011215305_100011995733 [0,1,0,0,0,0|2,0,1]=4 2644 B12R0.5 CCCCOCSCCOCCO 62a_100011995733_100011215305 [0,1,0,0,0,0|2,0,1]=4 2645 B12R0.5 CCCCSCCCCCCCO 62a_100000210211_100000760002 [0,1,0,0,0,0|0,0,2]=3 2646 B12R0.5 CCCCSCCCCCCCO 62a_100000760002_100000210210 [0,1,0,0,0,0|0,0,2]=3 2647 B12R0.5 CCCCSCCCCCCOC 62a_100000210211_100011998445 [0,1,0,0,0,0|1,0,2]=4 2648 B12R0.5 CCCCSCCCCCCOC 62a_100011998445_100000210210 [0,1,0,0,0,0|1,0,2]=4 2649 B12R0.5 CCCCSCCCOCCOC 62a_100000210211_100011216529 [0,1,0,0,0,0|2,0,1]=4 2650 B12R0.5 CCCCSCCCOCCOC 62a_100011216529_100000210210 [0,1,0,0,0,0|2,0,1]=4 2651 B12R0.5 CCCCSCCNCC#CCO 2230a_100025743550_200000047223 [0,1,0,0,0,0|1,0,2]=4 2652 B12R0.5 CCCCSCCNCCCCO 2230a_100025743550_100000210776 [0,1,0,0,0,0|1,0,2]=4 2653 B12R0.5 CCCCSCCOCC#CCO 34a_200000230436_200000047223 [0,1,0,0,0,0|1,0,2]=4 2654 B12R0.5 CCCCSCCOCC#CCO 7a_200000230436_200000047223 [0,1,0,0,0,0|1,0,2]=4 2655 B12R0.5 CCCCSCCOCCCCO 34a_200000230436_100011216708 [0,1,0,0,0,0|1,0,2]=4 2656 B12R0.5 CCCCSCCOCCCCO 7a_200000230436_100000210776 [0,1,0,0,0,0|1,0,2]=4 2657 B12R0.5 CCCNCCCCCCCCO 2230a_102515433106_100000210303 [0,1,0,0,0,0|0,0,2]=3 2658 B12R0.5 CCCNCCCCCCCCO 34a_102515433106_100000210303 [0,1,0,0,0,0|0,0,2]=3 2659 B12R0.5 CCCNCCOCCOCCO 2230a_100011998139_100000210303 [0,1,0,0,0,0|2,0,1]=4 2660 B12R0.5 CCCNCCOCCOCCO 34a_100011998139_100000210303 [0,1,0,0,0,0|2,0,1]=4 2661 B12R0.5 CCCOCCCCCCCCBr 34a_100009813846_100000210303 [0,1,0,0,0,0|1,0,2]=4 2662 B12R0.5 CCCOCCCCCCCCBr 7a_100009813846_100000210303 [0,1,0,0,0,0|1,0,2]=4 2663 B12R0.5 CCCOCCCCCCCCCl 34a_100000033203_100000210303 [0,1,0,0,0,0|1,0,2]=4 2664 B12R0.5 CCCOCCCCCCCCCl 7a_100000033203_100000210303 [0,1,0,0,0,0|1,0,2]=4 2665 B12R0.5 CCCOCCCCCCCCN 34a_102515433106_100000210303 [0,1,0,0,0,0|1,0,2]=4 2666 B12R0.5 CCCOCCCCCCCCO 34a_100000210258_100000033203 [0,1,0,0,0,0|0,0,2]=3 2667 B12R0.5 CCCOCCCCCNCCN 34a_103619048469_100000210303 [0,1,0,0,0,0|2,0,1]=4 2668 B12R0.5 CCCOCCCNCC#CCO 2230a_100011217757_200000047223 [0,1,0,0,0,0|1,0,2]=4 2669 B12R0.5 CCCOCCCNCC#CCO 34a_100011217757_200000047223 [0,1,0,0,0,0|1,0,2]=4 2670 B12R0.5 CCCOCCCNCCCCO 2230a_100011217757_100000210776 [0,1,0,0,0,0|1,0,2]=4 2671 B12R0.5 CCCOCCCNCCCCO 34a_100011217757_100011216708 [0,1,0,0,0,0|1,0,2]=4 2672 B12R0.5 CCCOCCNCCCCCO 2230a_100000762737_100011215938 [0,1,0,0,0,0|1,0,2]=4 2673 B12R0.5 CCCOCCNCCCCCO 2230a_100161115042_100000746330 [0,1,0,0,0,0|1,0,2]=4 2674 B12R0.5 CCCOCCNCCCCCO 34a_100000762737_100011215938 [0,1,0,0,0,0|1,0,2]=4 2675 B12R0.5 CCCOCCNCCCCCO 34a_100161115042_100000746330 [0,1,0,0,0,0|1,0,2]=4 2676 B12R0.5 CCCOCCNCCOCCO 2230a_100000211614_100011215938 [0,1,0,0,0,0|2,0,1]=4 2677 B12R0.5 CCCOCCNCCOCCO 2230a_100161115042_100011215305 [0,1,0,0,0,0|2,0,1]=4 2678 B12R0.5 CCCOCCNCCOCCO 34a_100000211614_100011215938 [0,1,0,0,0,0|2,0,1]=4 2679 B12R0.5 CCCOCCNCCOCCO 34a_100161115042_100000692535 [0,1,0,0,0,0|2,0,1]=4 2680 B12R0.5 CCCOCCNCCSCCO 2230a_100011219999_100011215938 [0,1,0,0,0,0|2,0,1]=4 2681 B12R0.5 CCCOCCOCCCCCO 34a_100000752267_100000746330 [0,1,0,0,0,0|1,0,2]=4 2682 B12R0.5 CCCOCCOCCCCCO 7a_100000752267_100000746330 [0,1,0,0,0,0|1,0,2]=4 2683 B12R0.5 CCCOCCOCCNCCO 2230a_200011904461_100000211926 [0,1,0,0,0,0|2,0,1]=4 2684 B12R0.5 CCCOCCOCCNCCO 34a_200011904461_100000211926 [0,1,0,0,0,0|2,0,1]=4 2685 B12R0.5 CCCOCCOCCOCCO 34a_100000210258_100000032323 [0,1,0,0,0,0|2,0,1]=4 2686 B12R0.5 CCCOCCOCCOCCO 34a_100000752267_100000692535 [0,1,0,0,0,0|2,0,1]=4 2687 B12R0.5 CCCOCCOCCOCCO 7a_100000752267_100011215305 [0,1,0,0,0,0|2,0,1]=4 2688 B12R0.5 CCCOCCSCCCCCO 62a_100000746330_100011215938 [0,1,0,0,0,0|1,0,2]=4 2689 B12R0.5 CCCOCCSCCCCCO 62a_100011215938_100000746330 [0,1,0,0,0,0|1,0,2]=4 2690 B12R0.5 CCCOCCSCCOCCO 62a_100011215305_100011215938 [0,1,0,0,0,0|2,0,1]=4 2691 B12R0.5 CCCOCCSCCOCCO 62a_100011215938_100011215305 [0,1,0,0,0,0|2,0,1]=4 2692 B12R0.5 CCCSCCCCCCCCO 62a_100000033203_100000210303 [0,1,0,0,0,0|0,0,2]=3 2693 B12R0.5 CCCSCCCCCCCCO 62a_100000210303_100000033203 [0,1,0,0,0,0|0,0,2]=3 2694 B12R0.5 CCCSCCNCCCCCO 2230a_100020603323_100000746330 [0,1,0,0,0,0|1,0,2]=4 2695 B12R0.5 CCCSCCNCCOCCO 2230a_100020603323_100011215305 [0,1,0,0,0,0|2,0,1]=4 2696 B12R0.5 CCCSCCOCCCCCO 34a_200000230433_100000746330 [0,1,0,0,0,0|1,0,2]=4 2697 B12R0.5 CCCSCCOCCCCCO 7a_200000230433_100000746330 [0,1,0,0,0,0|1,0,2]=4 2698 B12R0.5 CCCSCCOCCOCCO 34a_200000230433_100000692535 [0,1,0,0,0,0|2,0,1]=4 2699 B12R0.5 CCCSCCOCCOCCO 62a_100000032323_100000210303 [0,1,0,0,0,0|2,0,1]=4 2700 B12R0.5 CCCSCCOCCOCCO 62a_100000210303_100000032323 [0,1,0,0,0,0|2,0,1]=4 2701 B12R0.5 CCCSCCOCCOCCO 7a_200000230433_100011215305 [0,1,0,0,0,0|2,0,1]=4 2702 B12R0.5 CCNCCCCCCCCCO 2230a_100000078944_100000210202 [0,1,0,0,0,0|0,0,2]=3 2703 B12R0.5 CCNCCCCCCCCCO 2230a_100015525214_100009813782 [0,1,0,0,0,0|0,0,2]=3 2704 B12R0.5 CCNCCCCCCCCCO 34a_100000078944_100000210202 [0,1,0,0,0,0|0,0,2]=3 2705 B12R0.5 CCNCCCOCCOCCO 2230a_100011996194_100000210202 [0,1,0,0,0,0|2,0,1]=4 2706 B12R0.5 CCNCCCOCCOCCO 34a_100011996194_100000210202 [0,1,0,0,0,0|2,0,1]=4 2707 B12R0.5 CCOCCCCCCCCCBr 34a_100009813782_100000210202 [0,1,0,0,0,0|1,0,2]=4 2708 B12R0.5 CCOCCCCCCCCCBr 7a_100009813782_100000210202 [0,1,0,0,0,0|1,0,2]=4 2709 B12R0.5 CCOCCCCCCCCCCl 34a_100009868337_100000210202 [0,1,0,0,0,0|1,0,2]=4 2710 B12R0.5 CCOCCCCCCCCCCl 7a_100009868337_100000210202 [0,1,0,0,0,0|1,0,2]=4 2711 B12R0.5 CCOCCCCCCCCCN 34a_100000078944_100000210202 [0,1,0,0,0,0|1,0,2]=4 2712 B12R0.5 CCOCCCCCCCCCO 34a_100121572206_100009813782 [0,1,0,0,0,0|0,0,2]=3 2713 B12R0.5 CCOCCCNCCCCCO 2230a_100000210961_100000746330 [0,1,0,0,0,0|1,0,2]=4 2714 B12R0.5 CCOCCCNCCCCCO 2230a_100000762737_100012232248 [0,1,0,0,0,0|1,0,2]=4 2715 B12R0.5 CCOCCCNCCCCCO 34a_100000210961_100000746330 [0,1,0,0,0,0|1,0,2]=4 2716 B12R0.5 CCOCCCNCCCCCO 34a_100000762737_100012232248 [0,1,0,0,0,0|1,0,2]=4 2717 B12R0.5 CCOCCCNCCOCCO 2230a_100000210961_100011215305 [0,1,0,0,0,0|2,0,1]=4 2718 B12R0.5 CCOCCCNCCOCCO 2230a_100000211614_100012232248 [0,1,0,0,0,0|2,0,1]=4 2719 B12R0.5 CCOCCCNCCOCCO 34a_100000210961_100000692535 [0,1,0,0,0,0|2,0,1]=4 2720 B12R0.5 CCOCCCNCCOCCO 34a_100000211614_100012232248 [0,1,0,0,0,0|2,0,1]=4 2721 B12R0.5 CCOCCCNCCSCCO 2230a_100011219999_100012232248 [0,1,0,0,0,0|2,0,1]=4 2722 B12R0.5 CCOCCCOCCCCCO 34a_100000757476_100000746330 [0,1,0,0,0,0|1,0,2]=4 2723 B12R0.5 CCOCCCOCCCCCO 7a_100000757476_100000746330 [0,1,0,0,0,0|1,0,2]=4 2724 B12R0.5 CCOCCCOCCOCCO 34a_100000757476_100000692535 [0,1,0,0,0,0|2,0,1]=4 2725 B12R0.5 CCOCCCOCCOCCO 7a_100000757476_100011215305 [0,1,0,0,0,0|2,0,1]=4 2726 B12R0.5 CCOCCCSCCCCCO 62a_100000746330_100012232248 [0,1,0,0,0,0|1,0,2]=4 2727 B12R0.5 CCOCCCSCCCCCO 62a_100012232248_100000746330 [0,1,0,0,0,0|1,0,2]=4 2728 B12R0.5 CCOCCCSCCOCCO 62a_100011215305_100012232248 [0,1,0,0,0,0|2,0,1]=4 2729 B12R0.5 CCOCCCSCCOCCO 62a_100012232248_100011215305 [0,1,0,0,0,0|2,0,1]=4 2730 B12R0.5 CCOCCNCCCCCCO 2230a_100000686447_100011215890 [0,1,0,0,0,0|1,0,2]=4 2731 B12R0.5 CCOCCNCCCCCCO 2230a_102516460346_100000766143 [0,1,0,0,0,0|1,0,2]=4 2732 B12R0.5 CCOCCNCCCCCCO 34a_100000686447_100000210147 [0,1,0,0,0,0|1,0,2]=4 2733 B12R0.5 CCOCCNCCCCCCO 34a_102516460346_100000766143 [0,1,0,0,0,0|1,0,2]=4 2734 B12R0.5 CCOCCOCCCCCCO 34a_100000210136_100000766143 [0,1,0,0,0,0|1,0,2]=4 2735 B12R0.5 CCOCCOCCCCCCO 7a_100000210136_100000766143 [0,1,0,0,0,0|1,0,2]=4 2736 B12R0.5 CCOCCSCCCCCCO 62a_100000210147_100000766143 [0,1,0,0,0,0|1,0,2]=4 2737 B12R0.5 CCOCCSCCCCCCO 62a_100000766143_100011215890 [0,1,0,0,0,0|1,0,2]=4 2738 B12R0.5 CCOCSCCCCCCCO 62a_100000739092_100000760002 [0,1,0,0,0,0|1,0,2]=4 2739 B12R0.5 CCOCSCCCCCCCO 62a_100000760002_100000739092 [0,1,0,0,0,0|1,0,2]=4 2740 B12R0.5 CCSCCCCCCCCCO 62a_100000210202_100009813782 [0,1,0,0,0,0|0,0,2]=3 2741 B12R0.5 CCSCCCCCCCCCO 62a_100009813782_100000210202 [0,1,0,0,0,0|0,0,2]=3 2742 B12R0.5 CCSCCCOCCCCCO 34a_100011216438_100000746330 [0,1,0,0,0,0|1,0,2]=4 2743 B12R0.5 CCSCCCOCCCCCO 7a_100011216438_100000746330 [0,1,0,0,0,0|1,0,2]=4 2744 B12R0.5 CCSCCCOCCOCCO 34a_100011216438_100000692535 [0,1,0,0,0,0|2,0,1]=4 2745 B12R0.5 CCSCCCOCCOCCO 7a_100011216438_100011215305 [0,1,0,0,0,0|2,0,1]=4 2746 B12R0.5 CCSCCNCCCCCCO 2230a_100000106463_100000766143 [0,1,0,0,0,0|1,0,2]=4 2747 B12R0.5 CCSCCNCCCCCCO 2230a_100000686447_100000757381 [0,1,0,0,0,0|1,0,2]=4 2748 B12R0.5 CCSCCNCCCCCCO 34a_100000686447_100000757381 [0,1,0,0,0,0|1,0,2]=4 2749 B12R0.5 CCSCCOCCCCCCO 34a_100000212035_100000766143 [0,1,0,0,0,0|1,0,2]=4 2750 B12R0.5 CCSCCOCCCCCCO 7a_100000212035_100000766143 [0,1,0,0,0,0|1,0,2]=4 2751 B12R0.5 CCSCCSCCCCCCO 62a_100000757381_100000766143 [0,1,0,0,0,0|1,0,2]=4 2752 B12R0.5 CCSCCSCCCCCCO 62a_100000766143_100000757381 [0,1,0,0,0,0|1,0,2]=4 2753 B12R0.5 CNCCCCCCCCCCO 2230a_100000066964_200000210301 [0,1,0,0,0,0|0,0,2]=3 2754 B12R0.5 CNCCCCCCCCCCO 2230a_106832991635_100009813290 [0,1,0,0,0,0|0,0,2]=3 2755 B12R0.5 CNCCCCCCCCCCO 34a_100000066964_200000210301 [0,1,0,0,0,0|0,0,2]=3 2756 B12R0.5 CNCCCCCCCCCCO 34a_100102657272_100009813290 [0,1,0,0,0,0|0,0,2]=3 2757 B12R0.5 CNCCCCCCCCCCO 7a_106832991635_100009813290 [0,1,0,0,0,0|0,0,2]=3 2758 B12R0.5 CNCCCCCOCC#CCO 34a_100000722520_200000047223 [0,1,0,0,0,0|1,0,2]=4 2759 B12R0.5 CNCCCCCOCCCCO 34a_100000722520_100011216708 [0,1,0,0,0,0|1,0,2]=4 2760 B12R0.5 CNCCCOCCCCCCO 34a_100000213112_100000766143 [0,1,0,0,0,0|1,0,2]=4 2761 B12R0.5 COCCCCCCCCCCBr 34a_100009813290_200000210301 [0,1,0,0,0,0|1,0,2]=4 2762 B12R0.5 COCCCCCCCCCCBr 7a_100009813290_200000210301 [0,1,0,0,0,0|1,0,2]=4 2763 B12R0.5 COCCCCCCCCCCCl 34a_200000033068_200000210301 [0,1,0,0,0,0|1,0,2]=4 2764 B12R0.5 COCCCCCCCCCCCl 7a_200000033068_200000210301 [0,1,0,0,0,0|1,0,2]=4 2765 B12R0.5 COCCCCCCCCCCN 34a_100000066964_200000210301 [0,1,0,0,0,0|1,0,2]=4 2766 B12R0.5 COCCCCCCCCCCO 34a_100138415774_100009813290 [0,1,0,0,0,0|0,0,2]=3 2767 B12R0.5 COCCCCCCNCCOC 2230a_100000209980_100011998445 [0,1,0,0,0,0|2,0,1]=4 2768 B12R0.5 COCCCCCCOCCCO 34a_200012092642_100000230001 [0,1,0,0,0,0|1,0,2]=4 2769 B12R0.5 COCCCCCCOCCCO 7a_200012092642_100011215043 [0,1,0,0,0,0|1,0,2]=4 2770 B12R0.5 COCCCCCCOCCOC 34a_100000210237_100011998445 [0,1,0,0,0,0|2,0,1]=4 2771 B12R0.5 COCCCCCCOCCOC 34a_200012092642_100011201679 [0,1,0,0,0,0|2,0,1]=4 2772 B12R0.5 COCCCCCCOCCOC 7a_200012092642_100000233755 [0,1,0,0,0,0|2,0,1]=4 2773 B12R0.5 COCCCCCCOCCON 34a_100000700252_100011998445 [0,1,0,0,0,0|2,0,1]=4 2774 B12R0.5 COCCCCCCSCCCO 62a_100011215043_100011998445 [0,1,0,0,0,0|1,0,2]=4 2775 B12R0.5 COCCCCCCSCCCO 62a_100011998445_100011215043 [0,1,0,0,0,0|1,0,2]=4 2776 B12R0.5 COCCCCCCSCCOC 62a_100000233755_100011998445 [0,1,0,0,0,0|2,0,1]=4 2777 B12R0.5 COCCCCCCSCCOC 62a_100011998445_100000233755 [0,1,0,0,0,0|2,0,1]=4 2778 B12R0.5 COCCCCCNCC#CCO 2230a_100000747528_200000047223 [0,1,0,0,0,0|1,0,2]=4 2779 B12R0.5 COCCCCCNCC#CCO 34a_100000747528_200000047223 [0,1,0,0,0,0|1,0,2]=4 2780 B12R0.5 COCCCCCNCCCCO 2230a_100000747528_100000210776 [0,1,0,0,0,0|1,0,2]=4 2781 B12R0.5 COCCCCCNCCCCO 34a_100000747528_100011216708 [0,1,0,0,0,0|1,0,2]=4 2782 B12R0.5 COCCCCNCCCCCO 2230a_100000762737_100000730899 [0,1,0,0,0,0|1,0,2]=4 2783 B12R0.5 COCCCCNCCCCCO 34a_100000762737_100000755781 [0,1,0,0,0,0|1,0,2]=4 2784 B12R0.5 COCCCCNCCOCCO 2230a_100000211614_100000730899 [0,1,0,0,0,0|2,0,1]=4 2785 B12R0.5 COCCCCNCCOCCO 34a_100000211614_100000755781 [0,1,0,0,0,0|2,0,1]=4 2786 B12R0.5 COCCCCNCCSCCO 2230a_100011219999_100000730899 [0,1,0,0,0,0|2,0,1]=4 2787 B12R0.5 COCCCCOCCCCCO 34a_100000740925_100000746330 [0,1,0,0,0,0|1,0,2]=4 2788 B12R0.5 COCCCCOCCOCCO 34a_100000740925_100000692535 [0,1,0,0,0,0|2,0,1]=4 2789 B12R0.5 COCCCCSCCCCCO 62a_100000730899_100000746330 [0,1,0,0,0,0|1,0,2]=4 2790 B12R0.5 COCCCCSCCCCCO 62a_100000746330_100000730899 [0,1,0,0,0,0|1,0,2]=4 2791 B12R0.5 COCCCCSCCOCCO 62a_100000730899_100011215305 [0,1,0,0,0,0|2,0,1]=4 2792 B12R0.5 COCCCCSCCOCCO 62a_100011215305_100000730899 [0,1,0,0,0,0|2,0,1]=4 2793 B12R0.5 COCCCNCCCCCCO 2230a_100000686447_100000740836 [0,1,0,0,0,0|1,0,2]=4 2794 B12R0.5 COCCCNCCCCCCO 34a_100000686447_100000740836 [0,1,0,0,0,0|1,0,2]=4 2795 B12R0.5 COCCCNCCCCCCO 34a_100150723488_100000766143 [0,1,0,0,0,0|1,0,2]=4 2796 B12R0.5 COCCCOCCCCCCO 34a_100000740835_100000766143 [0,1,0,0,0,0|1,0,2]=4 2797 B12R0.5 COCCCOCCCOCCO 34a_200011215475_100000211926 [0,1,0,0,0,0|2,0,1]=4 2798 B12R0.5 COCCCOCCCOCCO 7a_200011215475_100000211926 [0,1,0,0,0,0|2,0,1]=4 2799 B12R0.5 COCCCSCCCCCCO 62a_100000709357_100000766143 [0,1,0,0,0,0|1,0,2]=4 2800 B12R0.5 COCCCSCCCCCCO 62a_100000766143_100000709357 [0,1,0,0,0,0|1,0,2]=4 2801 B12R0.5 COCCNCCCCCCCO 2230a_100000209980_100000760002 [0,1,0,0,0,0|1,0,2]=4 2802 B12R0.5 COCCNCCCCCCCO 2230a_100011996573_100011201679 [0,1,0,0,0,0|1,0,2]=4 2803 B12R0.5 COCCNCCCCCCCO 34a_100011996573_100011201679 [0,1,0,0,0,0|1,0,2]=4 2804 B12R0.5 COCCOCCCCCCCBr 34a_100000760002_100011201679 [0,1,0,0,0,0|2,0,1]=4 2805 B12R0.5 COCCOCCCCCCCBr 7a_100000760002_100000233755 [0,1,0,0,0,0|2,0,1]=4 2806 B12R0.5 COCCOCCCCCCCN 34a_100011996573_100011201679 [0,1,0,0,0,0|2,0,1]=4 2807 B12R0.5 COCCOCCCCCCCO 34a_100000210237_100000760002 [0,1,0,0,0,0|1,0,2]=4 2808 B12R0.5 COCCSCCCCCCCO 62a_100000233755_100000760002 [0,1,0,0,0,0|1,0,2]=4 2809 B12R0.5 COCCSCCCCCCCO 62a_100000760002_100000233755 [0,1,0,0,0,0|1,0,2]=4 2810 B12R0.5 COCNCCCCCCCCO 2230a_102515433106_100000766300 [0,1,0,0,0,0|1,0,2]=4 2811 B12R0.5 COCSCCCCCCCCO 62a_100000033203_100000766300 [0,1,0,0,0,0|1,0,2]=4 2812 B12R0.5 COCSCCCCCCCCO 62a_100000766300_100000033203 [0,1,0,0,0,0|1,0,2]=4 2813 B12R0.5 CSCCCCCCCCCCO 62a_100009813290_200000210301 [0,1,0,0,0,0|0,0,2]=3 2814 B12R0.5 CSCCCCCCCCCCO 62a_200000210301_200000033068 [0,1,0,0,0,0|0,0,2]=3 2815 B12R0.5 CSCCCCOCCCCCO 34a_100011217163_100000746330 [0,1,0,0,0,0|1,0,2]=4 2816 B12R0.5 CSCCCCOCCCCCO 7a_100011217163_100000746330 [0,1,0,0,0,0|1,0,2]=4 2817 B12R0.5 CSCCCCOCCOCCO 34a_100011217163_100000692535 [0,1,0,0,0,0|2,0,1]=4 2818 B12R0.5 CSCCCCOCCOCCO 7a_100011217163_100011215305 [0,1,0,0,0,0|2,0,1]=4 2819 B12R0.5 CSCCCNCCCCCCO 2230a_100000749238_100000766143 [0,1,0,0,0,0|1,0,2]=4 2820 B12R0.5 CSCCCOCCCCCCO 34a_100000690336_100000766143 [0,1,0,0,0,0|1,0,2]=4 2821 B12R0.5 CSCCCOCCCCCCO 7a_100000690336_100000766143 [0,1,0,0,0,0|1,0,2]=4 2822 B12R0.5 CSCCNCCCCCCCO 2230a_100011996573_100000751147 [0,1,0,0,0,0|1,0,2]=4 2823 B12R0.5 CSCCNCCCCCCCO 2230a_100020590264_100000760002 [0,1,0,0,0,0|1,0,2]=4 2824 B12R0.5 CSCCNCCCCCCCO 34a_100011996573_100000212216 [0,1,0,0,0,0|1,0,2]=4 2825 B12R0.5 CSCCOCCCCCCCO 34a_100000230434_100000760002 [0,1,0,0,0,0|1,0,2]=4 2826 B12R0.5 CSCCOCCCCCCCO 7a_100000230434_100000760002 [0,1,0,0,0,0|1,0,2]=4 2827 B12R0.5 CSCCSCCCCCCCO 62a_100000212216_100000760002 [0,1,0,0,0,0|1,0,2]=4 2828 B12R0.5 CSCCSCCCCCCCO 62a_100000760002_100000751147 [0,1,0,0,0,0|1,0,2]=4 2829 B12R0.5 CSCNCCCCCCCCO 2230a_102515433106_100011218213 [0,1,0,0,0,0|1,0,2]=4 2830 B12R0.5 CSCNCCCCCCCCO 34a_102515433106_100011218213 [0,1,0,0,0,0|1,0,2]=4 2831 B12R0.5 CSCSCCCCCCCCO 62a_100000033203_100011218213 [0,1,0,0,0,0|1,0,2]=4 2832 B12R0.5 CSCSCCCCCCCCO 62a_100011218213_100000033203 [0,1,0,0,0,0|1,0,2]=4 2833 B12R0.5 FCCOCCCCCCCCBr 34a_100009813846_100011217306 [0,1,0,0,0,0|2,0,1]=4 2834 B12R0.5 FCCOCCCCCCCCBr 7a_100009813846_100011217306 [0,1,0,0,0,0|2,0,1]=4 2835 B12R0.5 FCCOCCCCCCCCCl 34a_100000033203_100011217306 [0,1,0,0,0,0|2,0,1]=4 2836 B12R0.5 FCCOCCCCCCCCCl 7a_100000033203_100011217306 [0,1,0,0,0,0|2,0,1]=4 2837 B12R0.5 FCOCCCCCCCCCBr 34a_100009813782_100015361967 [0,1,0,0,0,0|2,0,1]=4 2838 B12R0.5 FCOCCCCCCCCCBr 7a_100009813782_100015361967 [0,1,0,0,0,0|2,0,1]=4 2839 B12R0.5 FCOCCCCCCCCCCl 34a_100009868337_100015361967 [0,1,0,0,0,0|2,0,1]=4 2840 B12R0.5 FCOCCCCCCCCCCl 7a_100009868337_100015361967 [0,1,0,0,0,0|2,0,1]=4 2841 B12R0.5 NCCCCCCCCCOCF 34a_100000078944_100015361967 [0,1,0,0,0,0|2,0,1]=4 2842 B12R0.5 NCCCCCCCCOCCF 34a_102515433106_100011217306 [0,1,0,0,0,0|2,0,1]=4 2843 B12R0.5 NCCCCCCCCOCCO 34a_102515433106_100000211926 [0,1,0,0,0,0|1,0,1]=3 2844 B12R0.5 NCCCCCCCOCCCO 34a_100011996573_100000230001 [0,1,0,0,0,0|1,0,2]=4 2845 B12R0.5 NCCCCCCOCC#CCO 34a_100000686447_200000047223 [0,1,0,0,0,0|1,0,2]=4 2846 B12R0.5 NCCCCCCOCCCCO 34a_100000686447_100011216708 [0,1,0,0,0,0|1,0,2]=4 2847 B12R0.5 NCCCCCOCCCCCO 34a_100000762737_100000746330 [0,1,0,0,0,0|1,0,2]=4 2848 B12R0.5 NCCCCCOCCOCCO 34a_100000762737_100000692535 [0,1,0,0,0,0|2,0,1]=4 2849 B12R0.5 NCCCCOCCCCCCO 34a_100000750430_100000766143 [0,1,0,0,0,0|1,0,2]=4 2850 B12R0.5 NCCCOCCCCCCCO 34a_100000182051_100000760002 [0,1,0,0,0,0|1,0,2]=4 2851 B12R0.5 NCCNCCCCCOCCO 34a_103619048469_100000211926 [0,1,0,0,0,0|2,0,1]=4 2852 B12R0.5 NCCOCCCCCCCCO 34a_100000210304_100000033203 [0,1,0,0,0,0|1,0,2]=4 2853 B12R0.5 NOCCOCCCCCCCO 34a_100000700252_100000760002 [0,1,0,0,0,0|2,0,1]=4 2854 B12R0.5 OCC#CCNCCCCCCO 2230a_100000686447_200000047223 [0,1,0,0,0,0|1,0,2]=4 2855 B12R0.5 OCC#CCNCCCCCCO 34a_100000686447_200000047223 [0,1,0,0,0,0|1,0,2]=4 2856 B12R0.5 OCC#CCOCCCCCCBr 34a_100011215345_200000047223 [0,1,0,0,0,0|1,0,2]=4 2857 B12R0.5 OCC#CCOCCCCCCBr 7a_100011215345_200000047223 [0,1,0,0,0,0|1,0,2]=4 2858 B12R0.5 OCC#CCOCCCCCCCl 34a_100000766143_200000047223 [0,1,0,0,0,0|1,0,2]=4 2859 B12R0.5 OCC#CCOCCCCCCCl 7a_100000766143_200000047223 [0,1,0,0,0,0|1,0,2]=4 2860 B12R0.5 OCC#CCOCCCCCCF 34a_100000732779_200000047223 [0,1,0,0,0,0|1,0,2]=4 2861 B12R0.5 OCC#CCOCCCCCCF 7a_100000732779_200000047223 [0,1,0,0,0,0|1,0,2]=4 2862 B12R0.5 OCC#CCSCCCCCCF 62a_100015922095_200000047223 [0,1,0,0,0,0|1,0,2]=4 2863 B12R0.5 OCC#CCSCCCCCCF 62a_200000047223_100015922095 [0,1,0,0,0,0|1,0,2]=4 2864 B12R0.5 OCC#CCSCCCCCCO 62a_100000766143_200000047223 [0,1,0,0,0,0|1,0,2]=4 2865 B12R0.5 OCC#CCSCCCCCCO 62a_200000047223_100000766143 [0,1,0,0,0,0|1,0,2]=4 2866 B12R0.5 OCCCCCCCCCNCF 34a_100000078944_100015361967 [0,1,0,0,0,0|1,0,2]=4 2867 B12R0.5 OCCCCCCCCCSCF 62a_100009813782_100015361967 [0,1,0,0,0,0|1,0,2]=4 2868 B12R0.5 OCCCCCCCCCSCF 62a_100015361967_100009813782 [0,1,0,0,0,0|1,0,2]=4 2869 B12R0.5 OCCCCCCCCNCCF 2230a_102515433106_100011217306 [0,1,0,0,0,0|1,0,2]=4 2870 B12R0.5 OCCCCCCCCNCCF 34a_100000724931_100000033203 [0,1,0,0,0,0|1,0,2]=4 2871 B12R0.5 OCCCCCCCCNCCF 34a_102515433106_100011217306 [0,1,0,0,0,0|1,0,2]=4 2872 B12R0.5 OCCCCCCCCNCCO 2230a_100016997473_100000033203 [0,1,0,0,0,0|1,0,1]=3 2873 B12R0.5 OCCCCCCCCNCCO 2230a_102515433106_100000211926 [0,1,0,0,0,0|1,0,1]=3 2874 B12R0.5 OCCCCCCCCNCCO 34a_100016990907_100000033203 [0,1,0,0,0,0|1,0,1]=3 2875 B12R0.5 OCCCCCCCCNCCO 34a_102515433106_100000211926 [0,1,0,0,0,0|1,0,1]=3 2876 B12R0.5 OCCCCCCCCOCCBr 34a_100000211926_100000033203 [0,1,0,0,0,0|1,0,2]=4 2877 B12R0.5 OCCCCCCCCSCCF 62a_100000033203_100011217306 [0,1,0,0,0,0|1,0,2]=4 2878 B12R0.5 OCCCCCCCCSCCF 62a_100011217306_100000033203 [0,1,0,0,0,0|1,0,2]=4 2879 B12R0.5 OCCCCCCCCSCCO 62a_100000033203_100000211926 [0,1,0,0,0,0|1,0,1]=3 2880 B12R0.5 OCCCCCCCCSCCO 62a_100000211926_100000033203 [0,1,0,0,0,0|1,0,1]=3 2881 B12R0.5 OCCCCCCCNCCCF 2230a_100011996573_100011934791 [0,1,0,0,0,0|1,0,2]=4 2882 B12R0.5 OCCCCCCCNCCCF 2230a_100015189416_100000760002 [0,1,0,0,0,0|1,0,2]=4 2883 B12R0.5 OCCCCCCCNCCCF 34a_100011996573_100011934791 [0,1,0,0,0,0|1,0,2]=4 2884 B12R0.5 OCCCCCCCNCCCF 34a_100015189416_100000760002 [0,1,0,0,0,0|1,0,2]=4 2885 B12R0.5 OCCCCCCCNCCCO 2230a_100011996573_100000230001 [0,1,0,0,0,0|1,0,2]=4 2886 B12R0.5 OCCCCCCCNCCCO 34a_100011996573_100000230001 [0,1,0,0,0,0|1,0,2]=4 2887 B12R0.5 OCCCCCCCOCCCBr 34a_100011217188_100000760002 [0,1,0,0,0,0|1,0,2]=4 2888 B12R0.5 OCCCCCCCOCCCCl 34a_100000230001_100000760002 [0,1,0,0,0,0|1,0,2]=4 2889 B12R0.5 OCCCCCCCOCCCF 34a_100000759539_100000760002 [0,1,0,0,0,0|1,0,2]=4 2890 B12R0.5 OCCCCCCCSCCCF 62a_100000760002_100011934791 [0,1,0,0,0,0|1,0,2]=4 2891 B12R0.5 OCCCCCCCSCCCF 62a_100011934791_100000760002 [0,1,0,0,0,0|1,0,2]=4 2892 B12R0.5 OCCCCCCCSCCCO 62a_100000760002_100011215043 [0,1,0,0,0,0|1,0,2]=4 2893 B12R0.5 OCCCCCCCSCCCO 62a_100011215043_100000760002 [0,1,0,0,0,0|1,0,2]=4 2894 B12R0.5 OCCCCCCNCCCCF 2230a_100000686447_100000729493 [0,1,0,0,0,0|1,0,2]=4 2895 B12R0.5 OCCCCCCNCCCCF 34a_100000686447_100000729493 [0,1,0,0,0,0|1,0,2]=4 2896 B12R0.5 OCCCCCCNCCCCO 2230a_100000686447_100000210776 [0,1,0,0,0,0|1,0,2]=4 2897 B12R0.5 OCCCCCCNCCCCO 2230a_100000750430_100000766143 [0,1,0,0,0,0|1,0,2]=4 2898 B12R0.5 OCCCCCCNCCCCO 34a_100000686447_100011216708 [0,1,0,0,0,0|1,0,2]=4 2899 B12R0.5 OCCCCCCNCCCCO 34a_100000750430_100000766143 [0,1,0,0,0,0|1,0,2]=4 2900 B12R0.5 OCCCCCCOCCCCBr 34a_100011216708_100000766143 [0,1,0,0,0,0|1,0,2]=4 2901 B12R0.5 OCCCCCCOCCCCCl 34a_100000210776_100000766143 [0,1,0,0,0,0|1,0,2]=4 2902 B12R0.5 OCCCCCCOCCCCCl 7a_100000210776_100000766143 [0,1,0,0,0,0|1,0,2]=4 2903 B12R0.5 OCCCCCCOCCCCF 34a_100011995726_100000766143 [0,1,0,0,0,0|1,0,2]=4 2904 B12R0.5 OCCCCCCOCCCCF 7a_100011995726_100000766143 [0,1,0,0,0,0|1,0,2]=4 2905 B12R0.5 OCCCCCCOCCCCI 34a_200012148704_100000766143 [0,1,0,0,0,0|1,0,2]=4 2906 B12R0.5 OCCCCCCSCCCCF 62a_100000729493_100000766143 [0,1,0,0,0,0|1,0,2]=4 2907 B12R0.5 OCCCCCCSCCCCF 62a_100000766143_100000729493 [0,1,0,0,0,0|1,0,2]=4 2908 B12R0.5 OCCCCCCSCCCCO 62a_100000210776_100000766143 [0,1,0,0,0,0|1,0,2]=4 2909 B12R0.5 OCCCCCCSCCCCO 62a_100000766143_100000210776 [0,1,0,0,0,0|1,0,2]=4 2910 B12R0.5 OCCCCCNCCCCCF 2230a_100000762737_100000729378 [0,1,0,0,0,0|1,0,2]=4 2911 B12R0.5 OCCCCCNCCCCCF 34a_100000762737_100000729378 [0,1,0,0,0,0|1,0,2]=4 2912 B12R0.5 OCCCCCNCCCCCO 2230a_100000762737_100000746330 [0,1,0,0,0,0|1,0,2]=4 2913 B12R0.5 OCCCCCNCCCCCO 34a_100000762737_100000746330 [0,1,0,0,0,0|1,0,2]=4 2914 B12R0.5 OCCCCCNCCOCCO 2230a_100000211614_100000746330 [0,1,0,0,0,0|2,0,1]=4 2915 B12R0.5 OCCCCCNCCOCCO 2230a_100000762737_100011215305 [0,1,0,0,0,0|2,0,1]=4 2916 B12R0.5 OCCCCCNCCOCCO 34a_100000211614_100000746330 [0,1,0,0,0,0|2,0,1]=4 2917 B12R0.5 OCCCCCNCCOCCO 34a_100000762737_100000692535 [0,1,0,0,0,0|2,0,1]=4 2918 B12R0.5 OCCCCCNCCSCCO 2230a_100011219999_100000746330 [0,1,0,0,0,0|2,0,1]=4 2919 B12R0.5 OCCCCCOCCCCCBr 34a_100000746331_100000746330 [0,1,0,0,0,0|1,0,2]=4 2920 B12R0.5 OCCCCCOCCCCCBr 7a_100000746331_100000746330 [0,1,0,0,0,0|1,0,2]=4 2921 B12R0.5 OCCCCCOCCCCCCl 34a_100000746330_100000746330 [0,1,0,0,0,0|1,0,2]=4 2922 B12R0.5 OCCCCCOCCCCCCl 7a_100000746330_100000746330 [0,1,0,0,0,0|1,0,2]=4 2923 B12R0.5 OCCCCCOCCCCCI 34a_200012148887_100000746330 [0,1,0,0,0,0|1,0,2]=4 2924 B12R0.5 OCCCCCOCCCCCI 7a_200012148887_100000746330 [0,1,0,0,0,0|1,0,2]=4 2925 B12R0.5 OCCCCCSCCCCCF 62a_100000729378_100000746330 [0,1,0,0,0,0|1,0,2]=4 2926 B12R0.5 OCCCCCSCCCCCF 62a_100000746330_100000729378 [0,1,0,0,0,0|1,0,2]=4 2927 B12R0.5 OCCCCCSCCCCCO 62a_100000746330_100000746330 [0,1,0,0,0,0|1,0,2]=4 2928 B12R0.5 OCCCCCSCCOCCO 62a_100000746330_100011215305 [0,1,0,0,0,0|2,0,1]=4 2929 B12R0.5 OCCCCCSCCOCCO 62a_100011215305_100000746330 [0,1,0,0,0,0|2,0,1]=4 2930 B12R0.5 OCCCCNCCCCCCF 2230a_100000750430_100015922095 [0,1,0,0,0,0|1,0,2]=4 2931 B12R0.5 OCCCCNCCCCCCF 34a_100000750430_100015922095 [0,1,0,0,0,0|1,0,2]=4 2932 B12R0.5 OCCCCOCCCCCCBr 34a_100011215345_100011216708 [0,1,0,0,0,0|1,0,2]=4 2933 B12R0.5 OCCCCOCCCCCCBr 7a_100011215345_100000210776 [0,1,0,0,0,0|1,0,2]=4 2934 B12R0.5 OCCCCOCCCCCCCl 34a_100000766143_100011216708 [0,1,0,0,0,0|1,0,2]=4 2935 B12R0.5 OCCCCOCCCCCCCl 7a_100000766143_100000210776 [0,1,0,0,0,0|1,0,2]=4 2936 B12R0.5 OCCCCOCCCCCCF 34a_100000732779_100011216708 [0,1,0,0,0,0|1,0,2]=4 2937 B12R0.5 OCCCCOCCCCCCF 7a_100000732779_100000210776 [0,1,0,0,0,0|1,0,2]=4 2938 B12R0.5 OCCCCSCCCCCCF 62a_100000210776_100015922095 [0,1,0,0,0,0|1,0,2]=4 2939 B12R0.5 OCCCCSCCCCCCF 62a_100015922095_100000210776 [0,1,0,0,0,0|1,0,2]=4 2940 B12R0.5 OCCCOCCCCCCCBr 34a_100000760002_100000230001 [0,1,0,0,0,0|1,0,2]=4 2941 B12R0.5 OCCCOCCCCCCCBr 7a_100000760002_100011215043 [0,1,0,0,0,0|1,0,2]=4 2942 B12R0.5 OCCOCCCCCCCCBr 34a_100009813846_100000211926 [0,1,0,0,0,0|1,0,1]=3 2943 B12R0.5 OCCOCCCCCCCCBr 7a_100009813846_100000211926 [0,1,0,0,0,0|1,0,1]=3 2944 B12R0.5 OCCOCCCCCCCCCl 34a_100000033203_100000211926 [0,1,0,0,0,0|1,0,1]=3 2945 B12R0.5 OCCOCCCCCCCCCl 7a_100000033203_100000211926 [0,1,0,0,0,0|1,0,1]=3 2946 B12R0.5 OCCOCCNCCCCCF 2230a_100000211614_100000729378 [0,1,0,0,0,0|2,0,1]=4 2947 B12R0.5 OCCOCCNCCCCCF 34a_100000211614_100000729378 [0,1,0,0,0,0|2,0,1]=4 2948 B12R0.5 OCCOCCOCCCCCBr 34a_100000746331_100000692535 [0,1,0,0,0,0|2,0,1]=4 2949 B12R0.5 OCCOCCOCCCCCBr 7a_100000746331_100011215305 [0,1,0,0,0,0|2,0,1]=4 2950 B12R0.5 OCCOCCOCCCCCCl 34a_100000746330_100000692535 [0,1,0,0,0,0|2,0,1]=4 2951 B12R0.5 OCCOCCOCCCCCCl 7a_100000746330_100011215305 [0,1,0,0,0,0|2,0,1]=4 2952 B12R0.5 OCCOCCOCCCCCI 34a_200012148887_100000692535 [0,1,0,0,0,0|2,0,1]=4 2953 B12R0.5 OCCOCCOCCCCCI 7a_200012148887_100011215305 [0,1,0,0,0,0|2,0,1]=4 2954 B12R0.5 OCCOCCSCCCCCF 62a_100000729378_100011215305 [0,1,0,0,0,0|2,0,1]=4 2955 B12R0.5 OCCOCCSCCCCCF 62a_100011215305_100000729378 [0,1,0,0,0,0|2,0,1]=4 2956 B12R0.5 OCCSCCNCCCCCF 2230a_100011219999_100000729378 [0,1,0,0,0,0|2,0,1]=4 2957 B12R0.5 [13CH3]NCCCCCCCCCCO 2230a_100000066964_200025704644 [0,1,0,0,0,0|0,0,2]=3 2958 B12R0.5 [13CH3]NCCCCCCCCCCO 34a_100000066964_200025704644 [0,1,0,0,0,0|0,0,2]=3 2959 B12R0.5 [13CH3]OCCCCCCCCCCBr 34a_100009813290_200025704644 [0,1,0,0,0,0|1,0,2]=4 2960 B12R0.5 [13CH3]OCCCCCCCCCCBr 7a_100009813290_200025704644 [0,1,0,0,0,0|1,0,2]=4 2961 B12R0.5 [13CH3]OCCCCCCCCCCCl 34a_200000033068_200025704644 [0,1,0,0,0,0|1,0,2]=4 2962 B12R0.5 [13CH3]OCCCCCCCCCCCl 7a_200000033068_200025704644 [0,1,0,0,0,0|1,0,2]=4 2963 B12R0.5 [13CH3]OCCCCCCCCCCN 34a_100000066964_200025704644 [0,1,0,0,0,0|1,0,2]=4 2964 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_100009813290_200025704644 [0,1,0,0,0,0|0,0,2]=3 2965 B12R0.5 [13CH3]SCCCCCCCCCCO 62a_200025704644_200000033068 [0,1,0,0,0,0|0,0,2]=3 2966 B12R0.47 CC/C=C/CC(=O)CCCCCC 1458a_100016274230_100000210757 [0,1,0,0,0,0|1,0,1]=3 2967 B12R0.47 CC/C=C/CC(=O)CCCCCF 1458a_100016274230_100000729378 [0,1,0,0,0,0|2,0,1]=4 2968 B12R0.47 CC/C=C/CC(=O)CCCCCO 1458a_100016274230_100000746330 [0,1,0,0,0,0|2,0,1]=4 2969 B12R0.47 CC/C=C/CC(=O)CCCCOC 1458a_100016274230_100000755781 [0,1,0,0,0,0|2,0,1]=4 2970 B12R0.47 CC/C=C/CC(=O)CCCOCC 1458a_100016274230_100012232248 [0,1,0,0,0,0|2,0,1]=4 2971 B12R0.47 CC/C=C/CC(=O)CCOCCC 1458a_100016274230_100011215938 [0,1,0,0,0,0|2,0,1]=4 2972 B12R0.47 CC/C=C/CC(=O)COCCCC 1458a_100016274230_100011995733 [0,1,0,0,0,0|2,0,1]=4 2973 B12R0.47 CC/C=C/CC(=O)NCCCCC 11a_100000209983_100016274230 [0,1,0,0,0,0|2,0,1]=4 2974 B12R0.47 CC/C=C/CC(=O)NCCCCC 1626a_100000209983_100016274230 [0,1,0,0,0,0|2,0,1]=4 2975 B12R0.47 CC/C=C/CC(=O)NCCCCC 240690a_100000209983_100016274230 [0,1,0,0,0,0|2,0,1]=4 2976 B12R0.47 CC/C=C/CC(=O)NCCCCC 527a_100000209983_100016274230 [0,1,0,0,0,0|2,0,1]=4 2977 B12R0.47 CC/C=C\CC(=O)CCCCCC 1458a_100102632555_100103147603 [0,1,0,0,0,0|1,0,1]=3 2978 B12R0.47 CC/C=C\CC(=O)CCCCCO 1458a_100102619762_100103147603 [0,1,0,0,0,0|2,0,1]=4 2979 B12R0.47 CC/C=C\CC(=O)COCCCC 1458a_100000757543_100103147603 [0,1,0,0,0,0|2,0,1]=4 2980 B12R0.47 CC/C=C\CC(=O)CSCCCC 1458a_100000191162_100103147603 [0,1,0,0,0,0|2,0,1]=4 2981 B12R0.47 CC/C=C\CCC(=O)CCCCC 1458a_100000212188_100015370543 [0,1,0,0,0,0|1,0,1]=3 2982 B12R0.47 CC/C=C\CCC(=O)CCCCO 1458a_100000695505_100015370543 [0,1,0,0,0,0|2,0,1]=4 2983 B12R0.47 CC/C=C\CCC(=O)CCCOC 1458a_100000741012_100015370543 [0,1,0,0,0,0|2,0,1]=4 2984 B12R0.47 CC/C=C\CCC(=O)CCCSC 1458a_100000173376_100015370543 [0,1,0,0,0,0|2,0,1]=4 2985 B12R0.47 CC/C=C\CCC(=O)CCOCC 1458a_100000749530_100015370543 [0,1,0,0,0,0|2,0,1]=4 2986 B12R0.47 CC/C=C\CCC(=O)CCSCC 1458a_100000230768_100015370543 [0,1,0,0,0,0|2,0,1]=4 2987 B12R0.47 CC/C=C\CCC(=O)COCCC 1458a_100000745993_100015370543 [0,1,0,0,0,0|2,0,1]=4 2988 B12R0.47 CC/C=C\CCC(=O)CSCCC 1458a_100000217233_100015370543 [0,1,0,0,0,0|2,0,1]=4 2989 B12R0.47 CC/C=C\CCN(C)CCCCC 2230a_100000223495_100015370543 [0,1,0,0,0,0|2,0,0]=3 2990 B12R0.47 CC/C=C\CCN(C)CCCCC 269982a_100000223495_100015370543 [0,1,0,0,0,0|2,0,0]=3 2991 B12R0.47 CC/C=C\CCN(C)CCCCO 2230a_100000717598_100015370543 [0,1,0,0,0,0|3,0,0]=4 2992 B12R0.47 CC/C=C\CCN(C)CCCCO 269982a_100000717598_100015370543 [0,1,0,0,0,0|3,0,0]=4 2993 B12R0.47 CC/C=C\CCN(C)CCCOC 2230a_100000224831_100015370543 [0,1,0,0,0,0|3,0,0]=4 2994 B12R0.47 CC/C=C\CCN(C)CCCOC 269982a_100000224831_100015370543 [0,1,0,0,0,0|3,0,0]=4 2995 B12R0.47 CC/C=C\CN(C)CCCCCC 2230a_106256046315_100103147603 [0,1,0,0,0,0|2,0,0]=3 2996 B12R0.47 CC/C=C\CN(C)CCCCCC 269982a_106256046315_100103147603 [0,1,0,0,0,0|2,0,0]=3 2997 B12R0.47 CC/C=C\CN(C)CCCCCO 2230a_100000722520_100103147603 [0,1,0,0,0,0|3,0,0]=4 2998 B12R0.47 CC/C=C\CN(C)CCCCCO 269982a_100000722520_100103147603 [0,1,0,0,0,0|3,0,0]=4 2999 B12R0.47 CC/C=C\CNC(C)CCCCC 2230a_100000211957_100103147603 [0,1,0,0,0,0|2,0,0]=3 3000 B12R0.47 CC/C=C\COC(C)CCCCC 34a_100011215632_100103147603 [0,1,0,0,0,0|2,0,0]=3 3001 B12R0.47 CC/C=C\COC(C)CCCCC 34a_100016268518_200011218191 [0,1,0,0,0,0|2,0,0]=3 3002 B12R0.47 CC/C=C\COC(C)CCCCC 7a_100011215632_100103147603 [0,1,0,0,0,0|2,0,0]=3 3003 B12R0.47 CC/C=C\COC(C)CCCOC 34a_200011539412_100103147603 [0,1,0,0,0,0|3,0,0]=4 3004 B12R0.47 CC/C=C\COC(C)CCCOC 7a_200011539412_100103147603 [0,1,0,0,0,0|3,0,0]=4 3005 B12R0.47 CC/C=C\CSC(C)CCCCC 62a_100103147603_200011218191 [0,1,0,0,0,0|2,0,0]=3 3006 B12R0.47 CC/C=C\CSC(C)CCCCC 62a_200011218191_100103147603 [0,1,0,0,0,0|2,0,0]=3 3007 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100000212188_100000746330 [0,1,0,0,0,0|0,0,3]=4 3008 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100102619762_100000210326 [0,1,0,0,0,0|0,0,3]=4 3009 B12R0.47 CCCCCC(=O)CCOCCO 1458a_100000212188_100011215305 [0,1,0,0,0,0|1,0,2]=4 3010 B12R0.47 CCCCCC(=O)CCOCCO 1458a_100011229844_100000210326 [0,1,0,0,0,0|1,0,2]=4 3011 B12R0.47 CCCCCC(C)NCC#CCO 2230a_100000211957_200000047223 [0,1,0,0,0,0|1,0,2]=4 3012 B12R0.47 CCCCCC(C)NCCCCO 2230a_100000211957_100000210776 [0,1,0,0,0,0|1,0,2]=4 3013 B12R0.47 CCCCCC(C)NCCCCO 2230a_100000750430_200011218191 [0,1,0,0,0,0|1,0,2]=4 3014 B12R0.47 CCCCCC(C)NCCCCO 270004a_100000750430_100000211708 [0,1,0,0,0,0|1,0,2]=4 3015 B12R0.47 CCCCCC(C)NCCCCO 34a_100000750430_200011218191 [0,1,0,0,0,0|1,0,2]=4 3016 B12R0.47 CCCCCC(C)OCC#CCO 34a_100011215632_200000047223 [0,1,0,0,0,0|1,0,2]=4 3017 B12R0.47 CCCCCC(C)OCC#CCO 7a_100011215632_200000047223 [0,1,0,0,0,0|1,0,2]=4 3018 B12R0.47 CCCCCC(C)OCCCCO 34a_100011215632_100011216708 [0,1,0,0,0,0|1,0,2]=4 3019 B12R0.47 CCCCCC(C)OCCCCO 7a_100011215632_100000210776 [0,1,0,0,0,0|1,0,2]=4 3020 B12R0.47 CCCCCC(C)SCC#CCO 62a_200000047223_200011218191 [0,1,0,0,0,0|1,0,2]=4 3021 B12R0.47 CCCCCC(C)SCC#CCO 62a_200011218191_200000047223 [0,1,0,0,0,0|1,0,2]=4 3022 B12R0.47 CCCCCC(C)SCCCCO 62a_100000210776_200011218191 [0,1,0,0,0,0|1,0,2]=4 3023 B12R0.47 CCCCCC(C)SCCCCO 62a_200011218191_100000210776 [0,1,0,0,0,0|1,0,2]=4 3024 B12R0.47 CCCCCCC(=O)CC#CCO 1458a_100102632555_200000047223 [0,1,0,0,0,0|0,0,3]=4 3025 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100000695505_100000210757 [0,1,0,0,0,0|0,0,3]=4 3026 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100102632555_100000210776 [0,1,0,0,0,0|0,0,3]=4 3027 B12R0.47 CCCCCCC(=O)COCCO 1458a_100000708028_100000210757 [0,1,0,0,0,0|1,0,2]=4 3028 B12R0.47 CCCCCCC(C)CCOCC 34a_200011024964_100000210202 [0,1,0,0,0,0|2,0,1]=4 3029 B12R0.47 CCCCCCC(C)CCOCC 7a_200011024964_100000210202 [0,1,0,0,0,0|2,0,1]=4 3030 B12R0.47 CCCCCCC(C)CCOCF 34a_200011024964_100015361967 [0,1,0,0,0,0|2,0,1]=4 3031 B12R0.47 CCCCCCC(C)CCOCF 7a_200011024964_100015361967 [0,1,0,0,0,0|2,0,1]=4 3032 B12R0.47 CCCCCCC(C)NCCCO 2230a_100000210919_100000230001 [0,1,0,0,0,0|1,0,2]=4 3033 B12R0.47 CCCCCCC(C)NCCCO 270004a_100000182051_100000210826 [0,1,0,0,0,0|1,0,2]=4 3034 B12R0.47 CCCCCCC(C)NCCCO 34a_100000210919_100000230001 [0,1,0,0,0,0|1,0,2]=4 3035 B12R0.47 CCCCCCC(C)OCCCO 34a_100000210265_100000230001 [0,1,0,0,0,0|1,0,2]=4 3036 B12R0.47 CCCCCCC(C)OCCCO 7a_100000210265_100011215043 [0,1,0,0,0,0|1,0,2]=4 3037 B12R0.47 CCCCCCC(C)SCCCO 62a_100011215043_100011215978 [0,1,0,0,0,0|1,0,2]=4 3038 B12R0.47 CCCCCCC(C)SCCCO 62a_100011215978_100011215043 [0,1,0,0,0,0|1,0,2]=4 3039 B12R0.47 CCCCCCN(C)CC#CCO 2230a_106256046315_200000047223 [0,1,0,0,0,0|1,0,2]=4 3040 B12R0.47 CCCCCCN(C)CCCCO 2230a_100000717598_100000210314 [0,1,0,0,0,0|1,0,2]=4 3041 B12R0.47 CCCCCCN(C)CCCCO 2230a_106256046315_100000210776 [0,1,0,0,0,0|1,0,2]=4 3042 B12R0.47 CCCCCCN(C)CCCCO 269982a_100000717598_100000210757 [0,1,0,0,0,0|1,0,2]=4 3043 B12R0.47 CCCCCCN(C)CCCCO 269982a_106256046315_100000210776 [0,1,0,0,0,0|1,0,2]=4 3044 B12R0.47 CCCCCN(C)CCCCCO 2230a_100000223495_100000746330 [0,1,0,0,0,0|1,0,2]=4 3045 B12R0.47 CCCCCN(C)CCCCCO 2230a_100000722520_100000210326 [0,1,0,0,0,0|1,0,2]=4 3046 B12R0.47 CCCCCN(C)CCCCCO 269982a_100000223495_100000746330 [0,1,0,0,0,0|1,0,2]=4 3047 B12R0.47 CCCCCN(C)CCCCCO 269982a_100000722520_100000210215 [0,1,0,0,0,0|1,0,2]=4 3048 B12R0.47 CCCCCN(C)CCOCCO 2230a_100000223495_100011215305 [0,1,0,0,0,0|2,0,1]=4 3049 B12R0.47 CCCCCN(C)CCOCCO 2230a_100000228057_100000210326 [0,1,0,0,0,0|2,0,1]=4 3050 B12R0.47 CCCCCN(C)CCOCCO 269982a_100000223495_100011215305 [0,1,0,0,0,0|2,0,1]=4 3051 B12R0.47 CCCCCN(C)CCOCCO 269982a_100000228057_100000210215 [0,1,0,0,0,0|2,0,1]=4 3052 B12R0.206 C=CC=CC(=O)CCCCCCC 1458a_100016291481_100000210614 [0,1,0,0,0,0|1,0,2]=4 3053 B12R0.206 CC/C=C\CCNC(C)CCCC 2230a_100000126638_100015370543 [0,1,0,0,0,0|2,0,0]=3 3054 B12R0.206 CC/C=C\CCOC(C)CCCC 34a_100000687866_100015370543 [0,1,0,0,0,0|2,0,0]=3 3055 B12R0.206 CC/C=C\CCOC(C)CCCC 34a_100016288707_200011215066 [0,1,0,0,0,0|2,0,0]=3 3056 B12R0.206 CC/C=C\CCOC(C)CCCC 7a_100000687866_100015370543 [0,1,0,0,0,0|2,0,0]=3 3057 B12R0.206 CC/C=C\CCOC(C)CCCC 7a_100016288707_200011215066 [0,1,0,0,0,0|2,0,0]=3 3058 B12R0.206 CC/C=C\CCOC(C)CCCCl 34a_200000718107_100015370543 [0,1,0,0,0,0|3,0,0]=4 3059 B12R0.206 CC/C=C\CCOC(C)CCCCl 7a_200000718107_100015370543 [0,1,0,0,0,0|3,0,0]=4 3060 B12R0.206 CC/C=C\CCOC(C)COCC 34a_100000718985_100015370543 [0,1,0,0,0,0|3,0,0]=4 3061 B12R0.206 CC/C=C\CCOC(C)COCC 7a_100000718985_100015370543 [0,1,0,0,0,0|3,0,0]=4 3062 B12R0.206 CC/C=C\CCSC(C)CCCC 62a_100015370543_200011215066 [0,1,0,0,0,0|2,0,0]=3 3063 B12R0.206 CC/C=C\CCSC(C)CCCC 62a_200011215066_100015370543 [0,1,0,0,0,0|2,0,0]=3 3064 B12R0.206 CC/C=C\CNCC(C)OCCC 2230a_100015185124_100103147603 [0,1,0,0,0,0|3,0,0]=4 3065 B12R0.206 CC/C=C\CNCC(C)OCCC 34a_100015185124_100103147603 [0,1,0,0,0,0|3,0,0]=4 3066 B12R0.206 CC/C=C\CNCC(O)COCC 2230a_102515437182_100103147603 [0,1,0,0,0,0|3,0,0]=4 3067 B12R0.206 CC/C=C\CNCC(O)COCC 34a_102515437182_100103147603 [0,1,0,0,0,0|3,0,0]=4 3068 B12R0.206 CC/C=C\CNC[C@H](C)CCCO 2230a_100160569302_100103147603 [0,1,0,0,0,0|3,0,0]=4 3069 B12R0.206 CC/C=C\CNC[C@H](C)CCCO 34a_100160569302_100103147603 [0,1,0,0,0,0|3,0,0]=4 3070 B12R0.206 CC/C=C\COCC(C)CCCC 34a_100011995851_100103147603 [0,1,0,0,0,0|2,0,0]=3 3071 B12R0.206 CC/C=C\COCC(C)CCCC 7a_100011995851_100103147603 [0,1,0,0,0,0|2,0,0]=3 3072 B12R0.206 CC/C=C\COC[C@@H](N)CCCC 34a_100011934283_100103147603 [0,1,0,0,0,0|2,0,0]=3 3073 B12R0.206 CC/C=C\COC[C@@H](N)CCSC 34a_100011827619_100103147603 [0,1,0,0,0,0|3,0,0]=4 3074 B12R0.206 CCC=CC(=O)CCCCCCC 1458a_100000212282_100000210614 [0,1,0,0,0,0|1,0,1]=3 3075 B12R0.206 CCC=CC(=O)CCCCCCF 1458a_100000212282_100015922095 [0,1,0,0,0,0|2,0,1]=4 3076 B12R0.206 CCC=CC(=O)CCCCCCO 1458a_100000212282_100000766143 [0,1,0,0,0,0|2,0,1]=4 3077 B12R0.206 CCC=CC(=O)CCOCCCC 1458a_100000212282_100000743108 [0,1,0,0,0,0|2,0,1]=4 3078 B12R0.206 CCC=CC(=O)NCCCCCC 11a_100000210581_100000212282 [0,1,0,0,0,0|2,0,1]=4 3079 B12R0.206 CCC=CC(=O)NCCCCCC 1626a_100000210581_100000212282 [0,1,0,0,0,0|2,0,1]=4 3080 B12R0.206 CCC=CC(=O)NCCCCCC 240690a_100000210581_100000212282 [0,1,0,0,0,0|2,0,1]=4 3081 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100000210183_100000766143 [0,1,0,0,0,0|0,0,3]=4 3082 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100011996774_100000210211 [0,1,0,0,0,0|0,0,3]=4 3083 B12R0.206 CCCCC(C)CCCCOCC 34a_200011021034_100000210202 [0,1,0,0,0,0|2,0,1]=4 3084 B12R0.206 CCCCC(C)CCCCOCC 7a_200011021034_100000210202 [0,1,0,0,0,0|2,0,1]=4 3085 B12R0.206 CCCCC(C)CCCCOCF 34a_200011021034_100015361967 [0,1,0,0,0,0|2,0,1]=4 3086 B12R0.206 CCCCC(C)CCCCOCF 7a_200011021034_100015361967 [0,1,0,0,0,0|2,0,1]=4 3087 B12R0.206 CCCCC(C)COCC#CCO 34a_100011995851_200000047223 [0,1,0,0,0,0|1,0,2]=4 3088 B12R0.206 CCCCC(C)COCC#CCO 7a_100011995851_200000047223 [0,1,0,0,0,0|1,0,2]=4 3089 B12R0.206 CCCCC(C)COCCCCO 34a_100011995851_100011216708 [0,1,0,0,0,0|1,0,2]=4 3090 B12R0.206 CCCCC(C)COCCCCO 7a_100011995851_100000210776 [0,1,0,0,0,0|1,0,2]=4 3091 B12R0.206 CCCCC(C)NCCCCCO 2230a_100000126638_100000746330 [0,1,0,0,0,0|1,0,2]=4 3092 B12R0.206 CCCCC(C)NCCCCCO 2230a_100000762737_200011215066 [0,1,0,0,0,0|1,0,2]=4 3093 B12R0.206 CCCCC(C)NCCCCCO 270004a_100000762737_100000210087 [0,1,0,0,0,0|1,0,2]=4 3094 B12R0.206 CCCCC(C)NCCCCCO 34a_100000762737_200011215066 [0,1,0,0,0,0|1,0,2]=4 3095 B12R0.206 CCCCC(C)NCCOCCO 2230a_100000126638_100011215305 [0,1,0,0,0,0|2,0,1]=4 3096 B12R0.206 CCCCC(C)NCCOCCO 2230a_100000211614_200011215066 [0,1,0,0,0,0|2,0,1]=4 3097 B12R0.206 CCCCC(C)NCCOCCO 270004a_100000211614_100000210087 [0,1,0,0,0,0|2,0,1]=4 3098 B12R0.206 CCCCC(C)NCCOCCO 34a_100000211614_200011215066 [0,1,0,0,0,0|2,0,1]=4 3099 B12R0.206 CCCCC(C)NCCSCCO 2230a_100011219999_200011215066 [0,1,0,0,0,0|2,0,1]=4 3100 B12R0.206 CCCCC(C)NCCSCCO 270004a_100011219999_100000210087 [0,1,0,0,0,0|2,0,1]=4 3101 B12R0.206 CCCCC(C)OCCCCCO 34a_100000687866_100000746330 [0,1,0,0,0,0|1,0,2]=4 3102 B12R0.206 CCCCC(C)OCCCCCO 7a_100000687866_100000746330 [0,1,0,0,0,0|1,0,2]=4 3103 B12R0.206 CCCCC(C)OCCOCCO 34a_100000687866_100000692535 [0,1,0,0,0,0|2,0,1]=4 3104 B12R0.206 CCCCC(C)OCCOCCO 7a_100000687866_100011215305 [0,1,0,0,0,0|2,0,1]=4 3105 B12R0.206 CCCCC(C)SCCCCCO 62a_100000746330_200011215066 [0,1,0,0,0,0|1,0,2]=4 3106 B12R0.206 CCCCC(C)SCCCCCO 62a_200011215066_100000746330 [0,1,0,0,0,0|1,0,2]=4 3107 B12R0.206 CCCCC(C)SCCOCCO 62a_100011215305_200011215066 [0,1,0,0,0,0|2,0,1]=4 3108 B12R0.206 CCCCC(C)SCCOCCO 62a_200011215066_100011215305 [0,1,0,0,0,0|2,0,1]=4 3109 B12R0.206 CCCCCCCC(=O)C#CCO 1458a_100000049017_100000210614 [0,1,0,0,0,0|0,0,3]=4 3110 B12R0.206 CCCCCCCC(=O)C=COC 1458a_100016268678_100000210614 [0,1,0,0,0,0|2,0,1]=4 3111 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [0,1,0,0,0,0|0,0,3]=4 3112 B12R0.206 CCCCCCCC(=O)NCCO 240690a_100000210304_100000211969 [0,1,0,0,0,0|1,0,2]=4 3113 B12R0.206 CCCCCCCC(=O)NCCO 527a_100000210304_100000211969 [0,1,0,0,0,0|1,0,2]=4 3114 B12R0.206 CCCCCCCC(C)NCCC 270004a_100020643023_100000210596 [0,1,0,0,0,0|2,0,1]=4 3115 B12R0.206 CCCCCCCC(C)NCCF 34a_100000724931_200011218727 [0,1,0,0,0,0|2,0,1]=4 3116 B12R0.206 CCCCCCCC(C)NCCO 2230a_100016997473_200011218727 [0,1,0,0,0,0|1,0,1]=3 3117 B12R0.206 CCCCCCCC(C)NCCO 270004a_100000210304_100000210596 [0,1,0,0,0,0|1,0,1]=3 3118 B12R0.206 CCCCCCCC(C)NCCO 34a_100016990907_200011218727 [0,1,0,0,0,0|1,0,1]=3 3119 B12R0.206 CCCCCCCC(C)OCCBr 34a_100000211926_200011218727 [0,1,0,0,0,0|2,0,1]=4 3120 B12R0.206 CCCCCCCC(C)OCCC 34a_100000210258_200011218727 [0,1,0,0,0,0|2,0,1]=4 3121 B12R0.206 CCCCCCCC(C)OCCC 34a_200011215852_100000210303 [0,1,0,0,0,0|2,0,1]=4 3122 B12R0.206 CCCCCCCC(C)OCCC 7a_200011215852_100000210303 [0,1,0,0,0,0|2,0,1]=4 3123 B12R0.206 CCCCCCCC(C)OCCF 34a_200011215852_100011217306 [0,1,0,0,0,0|2,0,1]=4 3124 B12R0.206 CCCCCCCC(C)OCCF 7a_200011215852_100011217306 [0,1,0,0,0,0|2,0,1]=4 3125 B12R0.206 CCCCCCCC(C)OCCN 34a_100000210304_200011218727 [0,1,0,0,0,0|2,0,1]=4 3126 B12R0.206 CCCCCCCC(C)OCCO 34a_200011215852_100000211926 [0,1,0,0,0,0|1,0,1]=3 3127 B12R0.206 CCCCCCCC(C)OCCO 7a_200011215852_100000211926 [0,1,0,0,0,0|1,0,1]=3 3128 B12R0.206 CCCCCCCC(C)SCCC 62a_100000210303_200011218727 [0,1,0,0,0,0|2,0,1]=4 3129 B12R0.206 CCCCCCCC(C)SCCC 62a_200011218727_100000210303 [0,1,0,0,0,0|2,0,1]=4 3130 B12R0.206 CCCCCCCC(C)SCCF 62a_100011217306_200011218727 [0,1,0,0,0,0|2,0,1]=4 3131 B12R0.206 CCCCCCCC(C)SCCF 62a_200011218727_100011217306 [0,1,0,0,0,0|2,0,1]=4 3132 B12R0.206 CCCCCCCC(C)SCCO 62a_100000211926_200011218727 [0,1,0,0,0,0|1,0,1]=3 3133 B12R0.206 CCCCCCCC(C)SCCO 62a_200011218727_100000211926 [0,1,0,0,0,0|1,0,1]=3 3134 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000213112_100000210681 [0,1,0,0,0,0|1,0,2]=4 3135 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000228206_100000230001 [0,1,0,0,0,0|1,0,2]=4 3136 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000213112_100000210681 [0,1,0,0,0,0|1,0,2]=4 3137 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000228206_100011215043 [0,1,0,0,0,0|1,0,2]=4 3138 B12R0.206 CCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210326 [0,1,0,0,0,0|1,0,2]=4 3139 B12R0.206 CCCCCNC[C@H](C)CCCO 34a_100160569302_100000718602 [0,1,0,0,0,0|1,0,2]=4 3140 B12R0.206 CCCCN(C)CCCCCCO 2230a_100000207549_100000766143 [0,1,0,0,0,0|1,0,2]=4 3141 B12R0.206 CCCCN(C)CCCCCCO 269982a_100000207549_100000766143 [0,1,0,0,0,0|1,0,2]=4 3142 B12R0.206 CCCC[C@H](N)COCC#CCO 34a_100011934283_200000047223 [0,1,0,0,0,0|1,0,2]=4 3143 B12R0.206 CCCC[C@H](N)COCCCCO 34a_100011934283_100011216708 [0,1,0,0,0,0|1,0,2]=4 3144 B12R0.234 C=C(C)CCOCCC/C=C/CC 34a_100016287902_100000730704 [0,1,0,0,0,0|2,0,1]=4 3145 B12R0.234 C=C(C)CCOCCC/C=C/CC 7a_100016287902_100000730704 [0,1,0,0,0,0|2,0,1]=4 3146 B12R0.234 C=C(C)COCCCC/C=C\CC 34a_100016287862_100000748629 [0,1,0,0,0,0|2,0,1]=4 3147 B12R0.234 C=C(C)COCCCC/C=C\CC 7a_100016287862_100000748629 [0,1,0,0,0,0|2,0,1]=4 3148 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [0,1,0,0,0,0|0,0,3]=4 3149 B12R0.234 CC(Br)CCOCCCCCCO 34a_100009893172_100000766143 [0,1,0,0,0,0|1,0,2]=4 3150 B12R0.234 CC(Br)COCCCCCCCO 34a_100012180447_100000760002 [0,1,0,0,0,0|1,0,2]=4 3151 B12R0.234 CC(C)CCCCCCCOCF 34a_200000210741_100015361967 [0,1,0,0,0,0|2,0,1]=4 3152 B12R0.234 CC(C)CCCCCCCOCF 7a_200000210741_100015361967 [0,1,0,0,0,0|2,0,1]=4 3153 B12R0.234 CC(C)CCCCCCNCCF 2230a_100000211014_100011217306 [0,1,0,0,0,0|2,0,1]=4 3154 B12R0.234 CC(C)CCCCCCNCCF 34a_100000211014_100011217306 [0,1,0,0,0,0|2,0,1]=4 3155 B12R0.234 CC(C)CCCCCCNCCO 2230a_100000211014_100000211926 [0,1,0,0,0,0|1,0,1]=3 3156 B12R0.234 CC(C)CCCCCCNCCO 34a_100000211014_100000211926 [0,1,0,0,0,0|1,0,1]=3 3157 B12R0.234 CC(C)CCCCCNCCCO 2230a_100011290863_100000230001 [0,1,0,0,0,0|1,0,2]=4 3158 B12R0.234 CC(C)CCCCCNCCCO 34a_100011290863_100000230001 [0,1,0,0,0,0|1,0,2]=4 3159 B12R0.234 CC(C)CCCCCOCCCO 34a_100011995859_100000230001 [0,1,0,0,0,0|1,0,2]=4 3160 B12R0.234 CC(C)CCCCCOCCCO 7a_100011995859_100011215043 [0,1,0,0,0,0|1,0,2]=4 3161 B12R0.234 CC(C)CCCCCSCCCO 62a_100000210682_100011215043 [0,1,0,0,0,0|1,0,2]=4 3162 B12R0.234 CC(C)CCCCCSCCCO 62a_100011215043_100000210682 [0,1,0,0,0,0|1,0,2]=4 3163 B12R0.234 CC(C)CCCCNCCCCO 2230a_100000750430_100011216152 [0,1,0,0,0,0|1,0,2]=4 3164 B12R0.234 CC(C)CCCCNCCCCO 34a_100000750430_100011216152 [0,1,0,0,0,0|1,0,2]=4 3165 B12R0.234 CC(C)CCCCOCC#CCO 34a_100011214890_200000047223 [0,1,0,0,0,0|1,0,2]=4 3166 B12R0.234 CC(C)CCCCOCC#CCO 7a_100011214890_200000047223 [0,1,0,0,0,0|1,0,2]=4 3167 B12R0.234 CC(C)CCCCOCCCCO 34a_100011214890_100011216708 [0,1,0,0,0,0|1,0,2]=4 3168 B12R0.234 CC(C)CCCCOCCCCO 7a_100011214890_100000210776 [0,1,0,0,0,0|1,0,2]=4 3169 B12R0.234 CC(C)CCCCSCC#CCO 62a_100011216152_200000047223 [0,1,0,0,0,0|1,0,2]=4 3170 B12R0.234 CC(C)CCCCSCC#CCO 62a_200000047223_100011216152 [0,1,0,0,0,0|1,0,2]=4 3171 B12R0.234 CC(C)CCCCSCCCCO 62a_100000210776_100011216152 [0,1,0,0,0,0|1,0,2]=4 3172 B12R0.234 CC(C)CCCCSCCCCO 62a_100011216152_100000210776 [0,1,0,0,0,0|1,0,2]=4 3173 B12R0.234 CC(C)CCCNCCCCCO 2230a_100000762737_100011214892 [0,1,0,0,0,0|1,0,2]=4 3174 B12R0.234 CC(C)CCCNCCCCCO 2230a_200000737386_100000746330 [0,1,0,0,0,0|1,0,2]=4 3175 B12R0.234 CC(C)CCCNCCCCCO 34a_100000762737_100011214892 [0,1,0,0,0,0|1,0,2]=4 3176 B12R0.234 CC(C)CCCNCCCCCO 34a_200000737386_100000746330 [0,1,0,0,0,0|1,0,2]=4 3177 B12R0.234 CC(C)CCCNCCOCCO 2230a_100000211614_100011214892 [0,1,0,0,0,0|2,0,1]=4 3178 B12R0.234 CC(C)CCCNCCOCCO 2230a_200000737386_100011215305 [0,1,0,0,0,0|2,0,1]=4 3179 B12R0.234 CC(C)CCCNCCOCCO 34a_100000211614_100011214892 [0,1,0,0,0,0|2,0,1]=4 3180 B12R0.234 CC(C)CCCNCCOCCO 34a_200000737386_100000692535 [0,1,0,0,0,0|2,0,1]=4 3181 B12R0.234 CC(C)CCCNCCSCCO 2230a_100011219999_100011214892 [0,1,0,0,0,0|2,0,1]=4 3182 B12R0.234 CC(C)CCCOCCCCCO 34a_100000210774_100000746330 [0,1,0,0,0,0|1,0,2]=4 3183 B12R0.234 CC(C)CCCOCCCCCO 7a_100000210774_100000746330 [0,1,0,0,0,0|1,0,2]=4 3184 B12R0.234 CC(C)CCCOCCOCCO 34a_100000210774_100000692535 [0,1,0,0,0,0|2,0,1]=4 3185 B12R0.234 CC(C)CCCOCCOCCO 7a_100000210774_100011215305 [0,1,0,0,0,0|2,0,1]=4 3186 B12R0.234 CC(C)CCCSCCCCCO 62a_100000746330_100011214892 [0,1,0,0,0,0|1,0,2]=4 3187 B12R0.234 CC(C)CCCSCCCCCO 62a_100011214892_100000746330 [0,1,0,0,0,0|1,0,2]=4 3188 B12R0.234 CC(C)CCCSCCOCCO 62a_100011214892_100011215305 [0,1,0,0,0,0|2,0,1]=4 3189 B12R0.234 CC(C)CCCSCCOCCO 62a_100011215305_100011214892 [0,1,0,0,0,0|2,0,1]=4 3190 B12R0.234 CC(C)CCNCCCCCCO 2230a_100000686447_100000210312 [0,1,0,0,0,0|1,0,2]=4 3191 B12R0.234 CC(C)CCNCCCCCCO 269862a_100000686447_100000185833 [0,1,0,0,0,0|1,0,2]=4 3192 B12R0.234 CC(C)CCNCCCCCCO 34a_100000686447_100000210312 [0,1,0,0,0,0|1,0,2]=4 3193 B12R0.234 CC(C)CCOCCCCCCO 34a_100000210254_100000766143 [0,1,0,0,0,0|1,0,2]=4 3194 B12R0.234 CC(C)CCOCCCCCCO 7a_100000210254_100000766143 [0,1,0,0,0,0|1,0,2]=4 3195 B12R0.234 CC(C)CCSCCCCCCO 62a_100000210312_100000766143 [0,1,0,0,0,0|1,0,2]=4 3196 B12R0.234 CC(C)CCSCCCCCCO 62a_100000766143_100000210312 [0,1,0,0,0,0|1,0,2]=4 3197 B12R0.234 CC(C)CNCCCCCCCO 2230a_100000210953_100000760002 [0,1,0,0,0,0|1,0,2]=4 3198 B12R0.234 CC(C)CNCCCCCCCO 2230a_100011996573_100000210760 [0,1,0,0,0,0|1,0,2]=4 3199 B12R0.234 CC(C)CNCCCCCCCO 270004a_100011996573_100000210432 [0,1,0,0,0,0|1,0,2]=4 3200 B12R0.234 CC(C)CNCCCCCCCO 34a_100000210953_100000760002 [0,1,0,0,0,0|1,0,2]=4 3201 B12R0.234 CC(C)CNCCCCCCCO 34a_100011996573_100000210624 [0,1,0,0,0,0|1,0,2]=4 3202 B12R0.234 CC(C)COCCCCCCCO 34a_100000210257_100000760002 [0,1,0,0,0,0|1,0,2]=4 3203 B12R0.234 CC(C)CSCCCCCCCO 62a_100000210624_100000760002 [0,1,0,0,0,0|1,0,2]=4 3204 B12R0.234 CC(C)CSCCCCCCCO 62a_100000760002_100000210760 [0,1,0,0,0,0|1,0,2]=4 3205 B12R0.234 CC(C)NCCCCCCCCO 2230a_100138425928_100000033203 [0,1,0,0,0,0|1,0,2]=4 3206 B12R0.234 CC(C)NCCCCCCCCO 2230a_102515433106_100000210206 [0,1,0,0,0,0|1,0,2]=4 3207 B12R0.234 CC(C)NCCCCCCCCO 34a_100138425928_100000033203 [0,1,0,0,0,0|1,0,2]=4 3208 B12R0.234 CC(C)NCCCCCCCCO 34a_102515433106_100000210206 [0,1,0,0,0,0|1,0,2]=4 3209 B12R0.234 CC(C)NCCCCCOCCO 34a_100011629493_100000211926 [0,1,0,0,0,0|2,0,1]=4 3210 B12R0.234 CC(C)OCCCCCCCCO 34a_100000212225_100000033203 [0,1,0,0,0,0|1,0,2]=4 3211 B12R0.234 CC(C)SCCCCCCCCO 62a_100000033203_100000210206 [0,1,0,0,0,0|1,0,2]=4 3212 B12R0.234 CC(C)SCCCCCCCCO 62a_100000210206_100000033203 [0,1,0,0,0,0|1,0,2]=4 3213 B12R0.234 CC(F)COCCCCCCCO 34a_100015925927_100000760002 [0,1,0,0,0,0|1,0,2]=4 3214 B12R0.234 CC(O)CCCNCCCCCO 2230a_100000762737_200000718107 [0,1,0,0,0,0|1,0,2]=4 3215 B12R0.234 CC(O)CCCNCCCCCO 34a_100000762737_200000718107 [0,1,0,0,0,0|1,0,2]=4 3216 B12R0.234 CC(O)CCCNCCOCCO 2230a_100000211614_200000718107 [0,1,0,0,0,0|2,0,1]=4 3217 B12R0.234 CC(O)CCCNCCOCCO 34a_100000211614_200000718107 [0,1,0,0,0,0|2,0,1]=4 3218 B12R0.234 CC(O)CCCNCCSCCO 2230a_100011219999_200000718107 [0,1,0,0,0,0|2,0,1]=4 3219 B12R0.234 CC(O)CCCSCCCCCO 62a_100000746330_200000718107 [0,1,0,0,0,0|1,0,2]=4 3220 B12R0.234 CC(O)CCCSCCCCCO 62a_200000718107_100000746330 [0,1,0,0,0,0|1,0,2]=4 3221 B12R0.234 CC(O)CCCSCCOCCO 62a_100011215305_200000718107 [0,1,0,0,0,0|2,0,1]=4 3222 B12R0.234 CC(O)CCCSCCOCCO 62a_200000718107_100011215305 [0,1,0,0,0,0|2,0,1]=4 3223 B12R0.234 CC(O)CCNCCCCCCO 2230a_100000686447_100012276601 [0,1,0,0,0,0|1,0,2]=4 3224 B12R0.234 CC(O)CCNCCCCCCO 2230a_200000755665_100000766143 [0,1,0,0,0,0|1,0,2]=4 3225 B12R0.234 CC(O)CCNCCCCCCO 34a_100000686447_100012276601 [0,1,0,0,0,0|1,0,2]=4 3226 B12R0.234 CC(O)CCSCCCCCCO 62a_100000766143_100012276601 [0,1,0,0,0,0|1,0,2]=4 3227 B12R0.234 CC(O)CCSCCCCCCO 62a_100012276601_100000766143 [0,1,0,0,0,0|1,0,2]=4 3228 B12R0.234 CC(O)CNCCCCCCCO 2230a_100000210904_100000760002 [0,1,0,0,0,0|1,0,2]=4 3229 B12R0.234 CC(O)CNCCCCCCCO 2230a_100011996573_100011218427 [0,1,0,0,0,0|1,0,2]=4 3230 B12R0.234 CC(O)CNCCCCCCCO 34a_100000210904_100000760002 [0,1,0,0,0,0|1,0,2]=4 3231 B12R0.234 CC(O)CNCCCCCCCO 34a_100011996573_100011218427 [0,1,0,0,0,0|1,0,2]=4 3232 B12R0.234 CC(O)COCCCCCCCBr 34a_100000760002_100011218427 [0,1,0,0,0,0|2,0,1]=4 3233 B12R0.234 CC(O)COCCCCCCCBr 7a_100000760002_100011218427 [0,1,0,0,0,0|2,0,1]=4 3234 B12R0.234 CC(O)COCCCCCCCN 34a_100011996573_100011218427 [0,1,0,0,0,0|2,0,1]=4 3235 B12R0.234 CC(O)CSCCCCCCCO 62a_100000760002_100011218427 [0,1,0,0,0,0|1,0,2]=4 3236 B12R0.234 CC(O)CSCCCCCCCO 62a_100011218427_100000760002 [0,1,0,0,0,0|1,0,2]=4 3237 B12R0.234 CC/C=C/CCCOCCC(=O)C 7a_100016287902_100000053229 [0,1,0,0,0,0|2,0,1]=4 3238 B12R0.234 CC/C=C/CCCOCCC(C)C 34a_100016287902_100000210312 [0,1,0,0,0,0|2,0,0]=3 3239 B12R0.234 CC/C=C/CCCOCCC(C)C 7a_100016287902_100000210626 [0,1,0,0,0,0|2,0,0]=3 3240 B12R0.234 CC/C=C/CCCOCCC(C)O 34a_100016287902_100012276601 [0,1,0,0,0,0|2,0,0]=3 3241 B12R0.234 CC/C=C/CCCOCCC(C)O 7a_100016287902_100012276601 [0,1,0,0,0,0|2,0,0]=3 3242 B12R0.234 CC/C=C/CCCOCCN(C)C 7a_100016287902_100000755713 [0,1,0,0,0,0|3,0,0]=4 3243 B12R0.234 CC/C=C/CCCOCOC(C)C 34a_100016287902_100000709892 [0,1,0,0,0,0|3,0,0]=4 3244 B12R0.234 CC/C=C\CCCCCOC(C)C 34a_100016268722_100000210206 [0,1,0,0,0,0|2,0,0]=3 3245 B12R0.234 CC/C=C\CCCCCOC(C)C 7a_100016268722_100000210206 [0,1,0,0,0,0|2,0,0]=3 3246 B12R0.234 CC/C=C\CCCCOCC(C)C 34a_100016287862_100000210624 [0,1,0,0,0,0|2,0,0]=3 3247 B12R0.234 CC/C=C\CCCCOCC(C)C 7a_100016287862_100000210760 [0,1,0,0,0,0|2,0,0]=3 3248 B12R0.234 CC/C=C\CCCCOCC(C)O 34a_100016287862_100011218427 [0,1,0,0,0,0|2,0,0]=3 3249 B12R0.234 CC/C=C\CCCCOCC(C)O 7a_100016287862_100011218427 [0,1,0,0,0,0|2,0,0]=3 3250 B12R0.234 CC/C=C\CCCCOCC(F)F 34a_100016287862_100011934356 [0,1,0,0,0,0|3,0,0]=4 3251 B12R0.234 CC/C=C\CCCCOCC(F)F 7a_100016287862_100011934356 [0,1,0,0,0,0|3,0,0]=4 3252 B12R0.234 CC/C=C\CCCCOC[C@@H](C)O 34a_100016287862_100009817552 [0,1,0,0,0,0|2,0,0]=3 3253 B12R0.234 CC/C=C\CCCCOC[C@@H](C)O 7a_100016287862_100009817552 [0,1,0,0,0,0|2,0,0]=3 3254 B12R0.234 CC/C=C\CCNCCCC(C)C 2230a_200000737386_100015370543 [0,1,0,0,0,0|2,0,0]=3 3255 B12R0.234 CC/C=C\CCNCCCC(C)C 34a_200000737386_100015370543 [0,1,0,0,0,0|2,0,0]=3 3256 B12R0.234 CC/C=C\CCNCCCS(=O)C 2230a_200000753449_100015370543 [0,1,0,0,0,0|3,0,0]=4 3257 B12R0.234 CC/C=C\CCNCCOC(C)C 2230a_100000701111_100015370543 [0,1,0,0,0,0|3,0,0]=4 3258 B12R0.234 CC/C=C\CCNCCOC(C)C 34a_100000701111_100015370543 [0,1,0,0,0,0|3,0,0]=4 3259 B12R0.234 CC/C=C\CCNCCSC(C)C 2230a_100000731138_100015370543 [0,1,0,0,0,0|3,0,0]=4 3260 B12R0.234 CC/C=C\CCNCCSC(C)C 34a_100000731138_100015370543 [0,1,0,0,0,0|3,0,0]=4 3261 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100000759063_100015370543 [0,1,0,0,0,0|2,0,1]=4 3262 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100016288707_100000685027 [0,1,0,0,0,0|2,0,1]=4 3263 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100000759063_100015370543 [0,1,0,0,0,0|2,0,1]=4 3264 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100016288707_100011215641 [0,1,0,0,0,0|2,0,1]=4 3265 B12R0.234 CC/C=C\CCOCCCC(C)C 34a_100000210774_100015370543 [0,1,0,0,0,0|2,0,0]=3 3266 B12R0.234 CC/C=C\CCOCCCC(C)C 34a_100016288707_100011214892 [0,1,0,0,0,0|2,0,0]=3 3267 B12R0.234 CC/C=C\CCOCCCC(C)C 7a_100000210774_100015370543 [0,1,0,0,0,0|2,0,0]=3 3268 B12R0.234 CC/C=C\CCOCCCC(C)C 7a_100016288707_100011214892 [0,1,0,0,0,0|2,0,0]=3 3269 B12R0.234 CC/C=C\CCOCCCC(C)O 34a_100016288707_200000718107 [0,1,0,0,0,0|2,0,0]=3 3270 B12R0.234 CC/C=C\CCOCCCC(C)O 7a_100016288707_200000718107 [0,1,0,0,0,0|2,0,0]=3 3271 B12R0.234 CC/C=C\CCOCCCN(C)C 7a_100016288707_100000757444 [0,1,0,0,0,0|3,0,0]=4 3272 B12R0.234 CC/C=C\CCOCCNC(C)C 34a_100000224655_100015370543 [0,1,0,0,0,0|3,0,0]=4 3273 B12R0.234 CC/C=C\CCOCCOC(C)C 34a_100000211219_100015370543 [0,1,0,0,0,0|3,0,0]=4 3274 B12R0.234 CC/C=C\CCOCCOC(C)C 34a_100016288707_100000211751 [0,1,0,0,0,0|3,0,0]=4 3275 B12R0.234 CC/C=C\CCOCCOC(C)C 7a_100000211219_100015370543 [0,1,0,0,0,0|3,0,0]=4 3276 B12R0.234 CC/C=C\CCOCCOC(C)C 7a_100016288707_100000211751 [0,1,0,0,0,0|3,0,0]=4 3277 B12R0.234 CC/C=C\CCOCCSC(C)C 34a_100016288707_100000730970 [0,1,0,0,0,0|3,0,0]=4 3278 B12R0.234 CC/C=C\CCOCCSC(C)C 34a_200011212901_100015370543 [0,1,0,0,0,0|3,0,0]=4 3279 B12R0.234 CC/C=C\CCOCCSC(C)C 7a_100016288707_100000730970 [0,1,0,0,0,0|3,0,0]=4 3280 B12R0.234 CC/C=C\CCOCCSC(C)C 7a_200011212901_100015370543 [0,1,0,0,0,0|3,0,0]=4 3281 B12R0.234 CC/C=C\CCSCCCC(=O)C 62a_100011215641_100015370543 [0,1,0,0,0,0|2,0,1]=4 3282 B12R0.234 CC/C=C\CCSCCCC(=O)C 62a_100015370543_100011215641 [0,1,0,0,0,0|2,0,1]=4 3283 B12R0.234 CC/C=C\CCSCCCC(C)C 62a_100011214892_100015370543 [0,1,0,0,0,0|2,0,0]=3 3284 B12R0.234 CC/C=C\CCSCCCC(C)C 62a_100015370543_100011214892 [0,1,0,0,0,0|2,0,0]=3 3285 B12R0.234 CC/C=C\CCSCCCC(C)O 62a_100015370543_200000718107 [0,1,0,0,0,0|2,0,0]=3 3286 B12R0.234 CC/C=C\CCSCCCC(C)O 62a_200000718107_100015370543 [0,1,0,0,0,0|2,0,0]=3 3287 B12R0.234 CC/C=C\CCSCCCN(C)C 62a_100015370543_100000757444 [0,1,0,0,0,0|3,0,0]=4 3288 B12R0.234 CC/C=C\CCSCCOC(C)C 62a_100000211751_100015370543 [0,1,0,0,0,0|3,0,0]=4 3289 B12R0.234 CC/C=C\CCSCCOC(C)C 62a_100015370543_100000211751 [0,1,0,0,0,0|3,0,0]=4 3290 B12R0.234 CC/C=C\CCSCCSC(C)C 62a_100000730970_100015370543 [0,1,0,0,0,0|3,0,0]=4 3291 B12R0.234 CC/C=C\CCSCCSC(C)C 62a_100015370543_100000730970 [0,1,0,0,0,0|3,0,0]=4 3292 B12R0.234 CC/C=C\CNCCCOC(C)C 2230a_100000737246_100103147603 [0,1,0,0,0,0|3,0,0]=4 3293 B12R0.234 CC/C=C\CNCCCOC(C)C 34a_100000737246_100103147603 [0,1,0,0,0,0|3,0,0]=4 3294 B12R0.234 CC/C=C\COCCCCC(=O)C 34a_100016268518_100009817362 [0,1,0,0,0,0|2,0,1]=4 3295 B12R0.234 CC/C=C\COCCCCC(C)C 34a_100011214890_100103147603 [0,1,0,0,0,0|2,0,0]=3 3296 B12R0.234 CC/C=C\COCCCCC(C)C 34a_100016268518_100011216152 [0,1,0,0,0,0|2,0,0]=3 3297 B12R0.234 CC/C=C\COCCCCC(C)C 7a_100011214890_100103147603 [0,1,0,0,0,0|2,0,0]=3 3298 B12R0.234 CC/C=C\COCCCNC(C)C 34a_100000182298_100103147603 [0,1,0,0,0,0|3,0,0]=4 3299 B12R0.234 CC/C=C\COCCNCC(C)C 34a_100015185251_100103147603 [0,1,0,0,0,0|3,0,0]=4 3300 B12R0.234 CC/C=C\COCCOCC(C)C 34a_100000703358_100103147603 [0,1,0,0,0,0|3,0,0]=4 3301 B12R0.234 CC/C=C\COCCOCC(C)C 7a_100000703358_100103147603 [0,1,0,0,0,0|3,0,0]=4 3302 B12R0.234 CC/C=C\COCCSCC(C)C 34a_200000230437_100103147603 [0,1,0,0,0,0|3,0,0]=4 3303 B12R0.234 CC/C=C\COCCSCC(C)C 7a_200000230437_100103147603 [0,1,0,0,0,0|3,0,0]=4 3304 B12R0.234 CC/C=C\CSCCCCC(=O)C 62a_100000735457_100103147603 [0,1,0,0,0,0|2,0,1]=4 3305 B12R0.234 CC/C=C\CSCCCCC(=O)C 62a_100103147603_100000735457 [0,1,0,0,0,0|2,0,1]=4 3306 B12R0.234 CC/C=C\CSCCCCC(C)C 62a_100011216152_100103147603 [0,1,0,0,0,0|2,0,0]=3 3307 B12R0.234 CC/C=C\CSCCCCC(C)C 62a_100103147603_100011216152 [0,1,0,0,0,0|2,0,0]=3 3308 B12R0.234 CC/C=C\CSCCCCN(C)C 62a_100103147603_100000690147 [0,1,0,0,0,0|3,0,0]=4 3309 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [0,1,0,0,0,0|0,0,2]=3 3310 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [0,1,0,0,0,0|0,0,2]=3 3311 B12R0.234 CCCCCCCCCNC(C)C 2230a_100000212291_100000210206 [0,1,0,0,0,0|2,0,1]=4 3312 B12R0.234 CCCCCCCCCNC(C)C 2230a_100138425928_100011214924 [0,1,0,0,0,0|2,0,1]=4 3313 B12R0.234 CCCCCCCCCNC(C)C 34a_100000212291_100000210206 [0,1,0,0,0,0|2,0,1]=4 3314 B12R0.234 CCCCCCCCCNC(C)C 34a_100138425928_100011214924 [0,1,0,0,0,0|2,0,1]=4 3315 B12R0.234 CCCCCCCCCOC(C)C 34a_100000210712_100000210206 [0,1,0,0,0,0|2,0,1]=4 3316 B12R0.234 CCCCCCCCCOC(C)C 34a_100000212225_100011214924 [0,1,0,0,0,0|2,0,1]=4 3317 B12R0.234 CCCCCCCCCOC(C)C 7a_100000210712_100000210206 [0,1,0,0,0,0|2,0,1]=4 3318 B12R0.234 CCCCCCCCCSC(C)C 62a_100000210206_100000210670 [0,1,0,0,0,0|2,0,1]=4 3319 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [0,1,0,0,0,0|1,0,2]=4 3320 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000210953_100000210759 [0,1,0,0,0,0|2,0,1]=4 3321 B12R0.234 CCCCCCCCNCC(C)C 2230a_100000229939_100000210760 [0,1,0,0,0,0|2,0,1]=4 3322 B12R0.234 CCCCCCCCNCC(C)C 270004a_100000229939_100000210432 [0,1,0,0,0,0|2,0,1]=4 3323 B12R0.234 CCCCCCCCNCC(C)C 34a_100000210953_100000210759 [0,1,0,0,0,0|2,0,1]=4 3324 B12R0.234 CCCCCCCCNCC(C)C 34a_100000229939_100000210624 [0,1,0,0,0,0|2,0,1]=4 3325 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000210904_100000210759 [0,1,0,0,0,0|1,0,1]=3 3326 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000229939_100011218427 [0,1,0,0,0,0|1,0,1]=3 3327 B12R0.234 CCCCCCCCNCC(C)O 34a_100000210904_100000210759 [0,1,0,0,0,0|1,0,1]=3 3328 B12R0.234 CCCCCCCCNCC(C)O 34a_100000229939_100011218427 [0,1,0,0,0,0|1,0,1]=3 3329 B12R0.234 CCCCCCCCNCC(F)F 2230a_100000229939_100011934356 [0,1,0,0,0,0|2,0,1]=4 3330 B12R0.234 CCCCCCCCNCC(F)F 34a_100000229939_100011934356 [0,1,0,0,0,0|2,0,1]=4 3331 B12R0.234 CCCCCCCCNCC(F)F 34a_100000765723_100000210759 [0,1,0,0,0,0|2,0,1]=4 3332 B12R0.234 CCCCCCCCNC[C@@H](C)O 2230a_100000229939_100009817552 [0,1,0,0,0,0|1,0,1]=3 3333 B12R0.234 CCCCCCCCNC[C@@H](C)O 34a_100000229939_100009817552 [0,1,0,0,0,0|1,0,1]=3 3334 B12R0.234 CCCCCCCCOCC(C)Br 34a_100012180447_100000210759 [0,1,0,0,0,0|2,0,1]=4 3335 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210232_100000210624 [0,1,0,0,0,0|2,0,1]=4 3336 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210257_100000210759 [0,1,0,0,0,0|2,0,1]=4 3337 B12R0.234 CCCCCCCCOCC(C)C 7a_100000210232_100000210760 [0,1,0,0,0,0|2,0,1]=4 3338 B12R0.234 CCCCCCCCOCC(C)F 34a_100015925927_100000210759 [0,1,0,0,0,0|2,0,1]=4 3339 B12R0.234 CCCCCCCCOCC(C)O 34a_100000210232_100011218427 [0,1,0,0,0,0|1,0,1]=3 3340 B12R0.234 CCCCCCCCOCC(C)O 7a_100000210232_100011218427 [0,1,0,0,0,0|1,0,1]=3 3341 B12R0.234 CCCCCCCCOCC(F)F 34a_100000210232_100011934356 [0,1,0,0,0,0|2,0,1]=4 3342 B12R0.234 CCCCCCCCOCC(F)F 34a_100000743014_100000210759 [0,1,0,0,0,0|2,0,1]=4 3343 B12R0.234 CCCCCCCCOCC(F)F 7a_100000210232_100011934356 [0,1,0,0,0,0|2,0,1]=4 3344 B12R0.234 CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210759 [0,1,0,0,0,0|2,0,1]=4 3345 B12R0.234 CCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210759 [0,1,0,0,0,0|2,0,1]=4 3346 B12R0.234 CCCCCCCCOC[C@@H](C)O 34a_100000210232_100009817552 [0,1,0,0,0,0|1,0,1]=3 3347 B12R0.234 CCCCCCCCOC[C@@H](C)O 7a_100000210232_100009817552 [0,1,0,0,0,0|1,0,1]=3 3348 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210624_100000210317 [0,1,0,0,0,0|2,0,1]=4 3349 B12R0.234 CCCCCCCCSCC(C)C 62a_100000210759_100000210760 [0,1,0,0,0,0|2,0,1]=4 3350 B12R0.234 CCCCCCCCSCC(C)O 62a_100000210759_100011218427 [0,1,0,0,0,0|1,0,1]=3 3351 B12R0.234 CCCCCCCCSCC(C)O 62a_100011218427_100000210317 [0,1,0,0,0,0|1,0,1]=3 3352 B12R0.234 CCCCCCCCSCC(F)F 62a_100000210759_100011934356 [0,1,0,0,0,0|2,0,1]=4 3353 B12R0.234 CCCCCCCCSCC(F)F 62a_100011934356_100000210317 [0,1,0,0,0,0|2,0,1]=4 3354 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100000210759_100009817552 [0,1,0,0,0,0|1,0,1]=3 3355 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210317 [0,1,0,0,0,0|1,0,1]=3 3356 B12R0.234 CCCCCCCNCCC(C)O 2230a_100000229938_100012276601 [0,1,0,0,0,0|1,0,2]=4 3357 B12R0.234 CCCCCCCNCCC(C)O 2230a_200000755665_100000210681 [0,1,0,0,0,0|1,0,2]=4 3358 B12R0.234 CCCCCCCOCCC(C)O 34a_100000210272_100012276601 [0,1,0,0,0,0|1,0,2]=4 3359 B12R0.234 CCCCCCCOCCC(C)O 7a_100000210272_100012276601 [0,1,0,0,0,0|1,0,2]=4 3360 B12R0.234 CCCCCCCSCCC(C)O 62a_100000210614_100012276601 [0,1,0,0,0,0|1,0,2]=4 3361 B12R0.234 CCCCCCCSCCC(C)O 62a_100012276601_100000210316 [0,1,0,0,0,0|1,0,2]=4 3362 B12R0.234 CCCCCCNC/C=C/B(O)O 2230a_100000210581_100016262062 [0,1,0,0,0,0|2,0,0]=3 3363 B12R0.234 CCCCCCNCCCC(C)O 2230a_100000210581_200000718107 [0,1,0,0,0,0|1,0,2]=4 3364 B12R0.234 CCCCCCOC/C=C/B(O)O 34a_100000210259_100016262062 [0,1,0,0,0,0|2,0,0]=3 3365 B12R0.234 CCCCCCOC/C=C/B(O)O 7a_100000210259_100016262062 [0,1,0,0,0,0|2,0,0]=3 3366 B12R0.234 CCCCCCOCCCC(C)O 34a_100000210259_200000718107 [0,1,0,0,0,0|1,0,2]=4 3367 B12R0.234 CCCCCCOCCCC(C)O 7a_100000210259_200000718107 [0,1,0,0,0,0|1,0,2]=4 3368 B12R0.234 CCCCCCSC/C=C/B(O)O 62a_100000210314_100016262062 [0,1,0,0,0,0|2,0,0]=3 3369 B12R0.234 CCCCCCSC/C=C/B(O)O 62a_100016262062_100000210757 [0,1,0,0,0,0|2,0,0]=3 3370 B12R0.234 CCCCCCSCCCC(C)O 62a_100000210314_200000718107 [0,1,0,0,0,0|1,0,2]=4 3371 B12R0.234 CCCCCCSCCCC(C)O 62a_200000718107_100000210757 [0,1,0,0,0,0|1,0,2]=4 3372 B12R0.234 CCCCCNCCOCC(C)O 34a_100000224656_100011218427 [0,1,0,0,0,0|2,0,1]=4 3373 B12R0.234 CCCCCNCCOC[C@@H](C)O 34a_100000224656_100009817552 [0,1,0,0,0,0|2,0,1]=4 3374 B12R0.234 CCCCCOCCOCC(C)O 34a_100011215259_100011218427 [0,1,0,0,0,0|2,0,1]=4 3375 B12R0.234 CCCCCOCCOCC(C)O 7a_100011215259_100011218427 [0,1,0,0,0,0|2,0,1]=4 3376 B12R0.234 CCCCCOCCOC[C@@H](C)O 34a_100011215259_100009817552 [0,1,0,0,0,0|2,0,1]=4 3377 B12R0.234 CCCCCOCCOC[C@@H](C)O 7a_100011215259_100009817552 [0,1,0,0,0,0|2,0,1]=4 3378 B12R0.234 CCCCNCCC/C=C/B(O)O 2230a_100000102301_200016261450 [0,1,0,0,0,0|2,0,0]=3 3379 B12R0.234 CCCCNCCC/C=C/B(O)O 7a_106832991798_200016261450 [0,1,0,0,0,0|2,0,0]=3 3380 B12R0.234 CCCCOCCC/C=C/B(O)O 34a_100000210227_200016261450 [0,1,0,0,0,0|2,0,0]=3 3381 B12R0.234 CCCCOCCC/C=C/B(O)O 7a_100000210227_200016261450 [0,1,0,0,0,0|2,0,0]=3 3382 B12R0.234 CCCCOCCCNCC(C)O 2230a_200000211371_100011218427 [0,1,0,0,0,0|2,0,1]=4 3383 B12R0.234 CCCCOCCCNCC(C)O 34a_200000211371_100011218427 [0,1,0,0,0,0|2,0,1]=4 3384 B12R0.234 CCCCOCCCNC[C@@H](C)O 2230a_200000211371_100009817552 [0,1,0,0,0,0|2,0,1]=4 3385 B12R0.234 CCCCOCCCNC[C@@H](C)O 34a_200000211371_100009817552 [0,1,0,0,0,0|2,0,1]=4 3386 B12R0.234 CCCCOCCCOCC(C)O 34a_200011215613_100011218427 [0,1,0,0,0,0|2,0,1]=4 3387 B12R0.234 CCCCOCCCOCC(C)O 7a_200011215613_100011218427 [0,1,0,0,0,0|2,0,1]=4 3388 B12R0.234 CCCCOCCCOC[C@@H](C)O 34a_200011215613_100009817552 [0,1,0,0,0,0|2,0,1]=4 3389 B12R0.234 CCCCOCCCOC[C@@H](C)O 7a_200011215613_100009817552 [0,1,0,0,0,0|2,0,1]=4 3390 B12R0.234 CCCCOCSC/C=C/B(O)O 62a_100011995733_100016262062 [0,1,0,0,0,0|3,0,0]=4 3391 B12R0.234 CCCCOCSC/C=C/B(O)O 62a_100016262062_100011995733 [0,1,0,0,0,0|3,0,0]=4 3392 B12R0.234 CCCCSCCC/C=C/B(O)O 62a_100000210211_200016261450 [0,1,0,0,0,0|2,0,0]=3 3393 B12R0.234 CCCCSCCC/C=C/B(O)O 62a_200016261450_100000210210 [0,1,0,0,0,0|2,0,0]=3 3394 B12R0.234 CCCNCCCCCCC(C)C 2230a_100000211014_100000210303 [0,1,0,0,0,0|2,0,1]=4 3395 B12R0.234 CCCNCCCCCCC(C)C 34a_100000211014_100000210303 [0,1,0,0,0,0|2,0,1]=4 3396 B12R0.234 CCCOCCNC/C=C/B(O)O 2230a_100161115042_100016262062 [0,1,0,0,0,0|3,0,0]=4 3397 B12R0.234 CCCOCCNC/C=C/B(O)O 34a_100161115042_100016262062 [0,1,0,0,0,0|3,0,0]=4 3398 B12R0.234 CCCOCCOC/C=C/B(O)O 34a_100000752267_100016262062 [0,1,0,0,0,0|3,0,0]=4 3399 B12R0.234 CCCOCCOC/C=C/B(O)O 7a_100000752267_100016262062 [0,1,0,0,0,0|3,0,0]=4 3400 B12R0.234 CCCOCCSC/C=C/B(O)O 62a_100011215938_100016262062 [0,1,0,0,0,0|3,0,0]=4 3401 B12R0.234 CCCOCCSC/C=C/B(O)O 62a_100016262062_100011215938 [0,1,0,0,0,0|3,0,0]=4 3402 B12R0.234 CCCSCCNC/C=C/B(O)O 2230a_100020603323_100016262062 [0,1,0,0,0,0|3,0,0]=4 3403 B12R0.234 CCCSCCOC/C=C/B(O)O 34a_200000230433_100016262062 [0,1,0,0,0,0|3,0,0]=4 3404 B12R0.234 CCCSCCOC/C=C/B(O)O 7a_200000230433_100016262062 [0,1,0,0,0,0|3,0,0]=4 3405 B12R0.234 CCOCCCCCCCC(C)C 34a_200000210741_100000210202 [0,1,0,0,0,0|2,0,1]=4 3406 B12R0.234 CCOCCCCCCCC(C)C 7a_200000210741_100000210202 [0,1,0,0,0,0|2,0,1]=4 3407 B12R0.234 CCOCCCNC/C=C/B(O)O 2230a_100000210961_100016262062 [0,1,0,0,0,0|3,0,0]=4 3408 B12R0.234 CCOCCCNC/C=C/B(O)O 34a_100000210961_100016262062 [0,1,0,0,0,0|3,0,0]=4 3409 B12R0.234 CCOCCCOC/C=C/B(O)O 34a_100000757476_100016262062 [0,1,0,0,0,0|3,0,0]=4 3410 B12R0.234 CCOCCCOC/C=C/B(O)O 7a_100000757476_100016262062 [0,1,0,0,0,0|3,0,0]=4 3411 B12R0.234 CCOCCCSC/C=C/B(O)O 62a_100012232248_100016262062 [0,1,0,0,0,0|3,0,0]=4 3412 B12R0.234 CCOCCCSC/C=C/B(O)O 62a_100016262062_100012232248 [0,1,0,0,0,0|3,0,0]=4 3413 B12R0.234 CCOCSCCC/C=C/B(O)O 62a_100000739092_200016261450 [0,1,0,0,0,0|3,0,0]=4 3414 B12R0.234 CCOCSCCC/C=C/B(O)O 62a_200016261450_100000739092 [0,1,0,0,0,0|3,0,0]=4 3415 B12R0.234 CCSCCCOC/C=C/B(O)O 34a_100011216438_100016262062 [0,1,0,0,0,0|3,0,0]=4 3416 B12R0.234 CCSCCCOC/C=C/B(O)O 7a_100011216438_100016262062 [0,1,0,0,0,0|3,0,0]=4 3417 B12R0.234 CN(C)CCCCCCCCCO 2230a_100102631434_100009813782 [0,1,0,0,0,0|1,0,2]=4 3418 B12R0.234 CN(C)CCCCCCCCCO 269982a_100102631434_100009813782 [0,1,0,0,0,0|1,0,2]=4 3419 B12R0.234 COCCCCCCNCC(C)O 2230a_100000210904_100011998445 [0,1,0,0,0,0|2,0,1]=4 3420 B12R0.234 COCCCCCCNCC(C)O 34a_100000210904_100011998445 [0,1,0,0,0,0|2,0,1]=4 3421 B12R0.234 COCCCCCCOCC(C)O 34a_200012092642_100011218427 [0,1,0,0,0,0|2,0,1]=4 3422 B12R0.234 COCCCCCCOCC(C)O 7a_200012092642_100011218427 [0,1,0,0,0,0|2,0,1]=4 3423 B12R0.234 COCCCCCCOC[C@@H](C)O 34a_200012092642_100009817552 [0,1,0,0,0,0|2,0,1]=4 3424 B12R0.234 COCCCCCCOC[C@@H](C)O 7a_200012092642_100009817552 [0,1,0,0,0,0|2,0,1]=4 3425 B12R0.234 COCCCCCCSCC(C)O 62a_100011218427_100011998445 [0,1,0,0,0,0|2,0,1]=4 3426 B12R0.234 COCCCCCCSCC(C)O 62a_100011998445_100011218427 [0,1,0,0,0,0|2,0,1]=4 3427 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100009817552_100011998445 [0,1,0,0,0,0|2,0,1]=4 3428 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100011998445_100009817552 [0,1,0,0,0,0|2,0,1]=4 3429 B12R0.234 COCCCCOC/C=C/B(O)O 34a_100000740925_100016262062 [0,1,0,0,0,0|3,0,0]=4 3430 B12R0.234 COCCCCSC/C=C/B(O)O 62a_100000730899_100016262062 [0,1,0,0,0,0|3,0,0]=4 3431 B12R0.234 COCCCCSC/C=C/B(O)O 62a_100016262062_100000730899 [0,1,0,0,0,0|3,0,0]=4 3432 B12R0.234 COCCNCCC/C=C/B(O)O 2230a_100000209980_200016261450 [0,1,0,0,0,0|3,0,0]=4 3433 B12R0.234 COCCOCCC/C=C/B(O)O 34a_100000210237_200016261450 [0,1,0,0,0,0|3,0,0]=4 3434 B12R0.234 COCCSCCC/C=C/B(O)O 62a_100000233755_200016261450 [0,1,0,0,0,0|3,0,0]=4 3435 B12R0.234 COCCSCCC/C=C/B(O)O 62a_200016261450_100000233755 [0,1,0,0,0,0|3,0,0]=4 3436 B12R0.234 CSCCCCOC/C=C/B(O)O 34a_100011217163_100016262062 [0,1,0,0,0,0|3,0,0]=4 3437 B12R0.234 CSCCCCOC/C=C/B(O)O 7a_100011217163_100016262062 [0,1,0,0,0,0|3,0,0]=4 3438 B12R0.234 CSCCNCCC/C=C/B(O)O 2230a_100020590264_200016261450 [0,1,0,0,0,0|3,0,0]=4 3439 B12R0.234 CSCCOCCC/C=C/B(O)O 34a_100000230434_200016261450 [0,1,0,0,0,0|3,0,0]=4 3440 B12R0.234 CSCCOCCC/C=C/B(O)O 7a_100000230434_200016261450 [0,1,0,0,0,0|3,0,0]=4 3441 B12R0.234 CSCCSCCC/C=C/B(O)O 62a_100000212216_200016261450 [0,1,0,0,0,0|3,0,0]=4 3442 B12R0.234 CSCCSCCC/C=C/B(O)O 62a_200016261450_100000751147 [0,1,0,0,0,0|3,0,0]=4 3443 B12R0.234 C[C@@H](Cl)COCCCCCCCO 34a_100016084084_100000760002 [0,1,0,0,0,0|1,0,2]=4 3444 B12R0.234 C[C@@H](N)CCOCCCCCCO 34a_100000706166_100000766143 [0,1,0,0,0,0|1,0,2]=4 3445 B12R0.234 C[C@@H](N)COCCCCCCCO 34a_100000737577_100000760002 [0,1,0,0,0,0|1,0,2]=4 3446 B12R0.234 C[C@@H](O)CNCCCCCCCO 2230a_100011996573_100009817552 [0,1,0,0,0,0|1,0,2]=4 3447 B12R0.234 C[C@@H](O)CNCCCCCCCO 34a_100011996573_100009817552 [0,1,0,0,0,0|1,0,2]=4 3448 B12R0.234 C[C@@H](O)COCCCCCCCBr 34a_100000760002_100009817552 [0,1,0,0,0,0|2,0,1]=4 3449 B12R0.234 C[C@@H](O)COCCCCCCCBr 7a_100000760002_100009817552 [0,1,0,0,0,0|2,0,1]=4 3450 B12R0.234 C[C@@H](O)COCCCCCCCN 34a_100011996573_100009817552 [0,1,0,0,0,0|2,0,1]=4 3451 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100000760002_100009817552 [0,1,0,0,0,0|1,0,2]=4 3452 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100009817552_100000760002 [0,1,0,0,0,0|1,0,2]=4 3453 B12R0.234 NCCCCCOC/C=C/B(O)O 34a_100000762737_100016262062 [0,1,0,0,0,0|3,0,0]=4 3454 B12R0.234 NCCCOCCC/C=C/B(O)O 34a_100000182051_200016261450 [0,1,0,0,0,0|3,0,0]=4 3455 B12R0.234 OB(O)/C=C/CCCNCCCF 2230a_100015189416_200016261450 [0,1,0,0,0,0|3,0,0]=4 3456 B12R0.234 OB(O)/C=C/CCCNCCCF 34a_100015189416_200016261450 [0,1,0,0,0,0|3,0,0]=4 3457 B12R0.234 OB(O)/C=C/CCCOCCCBr 34a_100011217188_200016261450 [0,1,0,0,0,0|3,0,0]=4 3458 B12R0.234 OB(O)/C=C/CCCOCCCCl 34a_100000230001_200016261450 [0,1,0,0,0,0|3,0,0]=4 3459 B12R0.234 OB(O)/C=C/CCCOCCCF 34a_100000759539_200016261450 [0,1,0,0,0,0|3,0,0]=4 3460 B12R0.234 OB(O)/C=C/CCCSCCCF 62a_100011934791_200016261450 [0,1,0,0,0,0|3,0,0]=4 3461 B12R0.234 OB(O)/C=C/CCCSCCCF 62a_200016261450_100011934791 [0,1,0,0,0,0|3,0,0]=4 3462 B12R0.234 OB(O)/C=C/COCCCCCBr 34a_100000746331_100016262062 [0,1,0,0,0,0|3,0,0]=4 3463 B12R0.234 OB(O)/C=C/COCCCCCBr 7a_100000746331_100016262062 [0,1,0,0,0,0|3,0,0]=4 3464 B12R0.234 OB(O)/C=C/COCCCCCCl 34a_100000746330_100016262062 [0,1,0,0,0,0|3,0,0]=4 3465 B12R0.234 OB(O)/C=C/COCCCCCCl 7a_100000746330_100016262062 [0,1,0,0,0,0|3,0,0]=4 3466 B12R0.234 OB(O)/C=C/COCCCCCI 34a_200012148887_100016262062 [0,1,0,0,0,0|3,0,0]=4 3467 B12R0.234 OB(O)/C=C/COCCCCCI 7a_200012148887_100016262062 [0,1,0,0,0,0|3,0,0]=4 3468 B12R0.234 OB(O)/C=C/CSCCCCCF 62a_100000729378_100016262062 [0,1,0,0,0,0|3,0,0]=4 3469 B12R0.234 OB(O)/C=C/CSCCCCCF 62a_100016262062_100000729378 [0,1,0,0,0,0|3,0,0]=4 3470 B12R0.234 OCCCCCNC/C=C/B(O)O 2230a_100000762737_100016262062 [0,1,0,0,0,0|3,0,0]=4 3471 B12R0.234 OCCCCCNC/C=C/B(O)O 34a_100000762737_100016262062 [0,1,0,0,0,0|3,0,0]=4 3472 B12R0.234 OCCCCCSC/C=C/B(O)O 62a_100000746330_100016262062 [0,1,0,0,0,0|3,0,0]=4 3473 B12R0.234 OCCCCCSC/C=C/B(O)O 62a_100016262062_100000746330 [0,1,0,0,0,0|3,0,0]=4 3474 B12R0.234 OCCCSCCC/C=C/B(O)O 62a_100011215043_200016261450 [0,1,0,0,0,0|3,0,0]=4 3475 B12R0.234 OCCCSCCC/C=C/B(O)O 62a_200016261450_100011215043 [0,1,0,0,0,0|3,0,0]=4 3476 B12R0.248 C#C/C(=C\COCCCCCC)/C 34a_100016990848_100000210314 [0,1,0,0,0,0|2,0,1]=4 3477 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [0,1,0,0,0,0|1,0,2]=4 3478 B12R0.248 C#CCCCCCCCC(=O)CO 1458a_100000210174_100153394163 [0,1,0,0,0,0|0,0,3]=4 3479 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,1,0,0,0,0|1,0,2]=4 3480 B12R0.248 C=CC(=O)NCCCCCCCC 1626a_100000229939_100000185746 [0,1,0,0,0,0|2,0,1]=4 3481 B12R0.248 C=CC(=O)NCCCCCCCC 240690a_100000229939_200121576911 [0,1,0,0,0,0|2,0,1]=4 3482 B12R0.248 C=CCCCCCCCC(=O)CO 1458a_100000210174_100012355270 [0,1,0,0,0,0|0,0,3]=4 3483 B12R0.248 CC(CO)NCCCCCCCO 2230a_100011996573_100012180447 [0,1,0,0,0,0|2,0,1]=4 3484 B12R0.248 CC(CO)NCCCCCCCO 34a_100011996573_100012180447 [0,1,0,0,0,0|2,0,1]=4 3485 B12R0.248 CC(CO)OCCCCCCCBr 34a_100000760002_100012180447 [0,1,0,0,0,0|2,0,1]=4 3486 B12R0.248 CC(CO)OCCCCCCCBr 7a_100000760002_100012180447 [0,1,0,0,0,0|2,0,1]=4 3487 B12R0.248 CC(CO)OCCCCCCCN 34a_100011996573_100012180447 [0,1,0,0,0,0|2,0,1]=4 3488 B12R0.248 CC(CO)SCCCCCCCO 62a_100012180447_100000760002 [0,1,0,0,0,0|2,0,1]=4 3489 B12R0.248 CC/C=C/CCCOCC(=O)CC 7a_100016287902_100000747405 [0,1,0,0,0,0|2,0,1]=4 3490 B12R0.248 CC/C=C/CCCOCC(C)CC 34a_100016287902_100000748023 [0,1,0,0,0,0|2,0,0]=3 3491 B12R0.248 CC/C=C/CCCOCC(C)CC 7a_100016287902_100000748023 [0,1,0,0,0,0|2,0,0]=3 3492 B12R0.248 CC/C=C/CCCOCC(O)CC 34a_100016287902_100011218378 [0,1,0,0,0,0|2,0,0]=3 3493 B12R0.248 CC/C=C/CCCOCC(O)CC 7a_100016287902_100011218378 [0,1,0,0,0,0|2,0,0]=3 3494 B12R0.248 CC/C=C/CCCOCC(O)CO 34a_100016287902_100011219619 [0,1,0,0,0,0|3,0,0]=4 3495 B12R0.248 CC/C=C/CCCOCC(O)CO 7a_100016287902_100011219619 [0,1,0,0,0,0|3,0,0]=4 3496 B12R0.248 CC/C=C/CCCOC[C@@H](C)CC 34a_100016287902_100009816398 [0,1,0,0,0,0|2,0,0]=3 3497 B12R0.248 CC/C=C/CCCOC[C@@H](C)CC 7a_100016287902_100009816398 [0,1,0,0,0,0|2,0,0]=3 3498 B12R0.248 CC/C=C/CCCOC[C@@H](C)CO 34a_100016287902_100000059175 [0,1,0,0,0,0|3,0,0]=4 3499 B12R0.248 CC/C=C/CCCOC[C@@H](C)CO 7a_100016287902_100000059175 [0,1,0,0,0,0|3,0,0]=4 3500 B12R0.248 CC/C=C/CCCOC[C@@H](O)CF 34a_100016287902_100015614560 [0,1,0,0,0,0|3,0,0]=4 3501 B12R0.248 CC/C=C/CCCOC[C@@H](O)CF 7a_100016287902_100015614560 [0,1,0,0,0,0|3,0,0]=4 3502 B12R0.248 CC/C=C/CCCOC[C@@H](O)CO 34a_100016287902_100009815848 [0,1,0,0,0,0|3,0,0]=4 3503 B12R0.248 CC/C=C/CCCOC[C@@H](O)CO 7a_100016287902_100009815848 [0,1,0,0,0,0|3,0,0]=4 3504 B12R0.248 CC/C=C\CCCCOC(C)CC 34a_100016287862_100011215416 [0,1,0,0,0,0|2,0,0]=3 3505 B12R0.248 CC/C=C\CCCCOC(C)CC 7a_100016287862_100000758301 [0,1,0,0,0,0|2,0,0]=3 3506 B12R0.248 CC/C=C\CCCCOC(C)CO 34a_100016287862_100012180447 [0,1,0,0,0,0|3,0,0]=4 3507 B12R0.248 CC/C=C\CCCCOC(C)CO 7a_100016287862_100012180447 [0,1,0,0,0,0|3,0,0]=4 3508 B12R0.248 CC/C=C\CCNCCC(C)CC 2230a_100020591266_100015370543 [0,1,0,0,0,0|2,0,0]=3 3509 B12R0.248 CC/C=C\CCNCCC(C)CO 2230a_106354213184_100015370543 [0,1,0,0,0,0|3,0,0]=4 3510 B12R0.248 CC/C=C\CCNCCC(C)CO 34a_106354213184_100015370543 [0,1,0,0,0,0|3,0,0]=4 3511 B12R0.248 CC/C=C\CCOCCC(C)CC 7a_100011215188_100015370543 [0,1,0,0,0,0|2,0,0]=3 3512 B12R0.248 CC/C=C\CCOCCC(C)OC 7a_100000764861_100015370543 [0,1,0,0,0,0|3,0,0]=4 3513 B12R0.248 CC/C=C\COCCCC(C)CC 7a_100011216074_100103147603 [0,1,0,0,0,0|2,0,0]=3 3514 B12R0.248 CC/C=C\COCCC[C@@H](C)CN 34a_100160569302_100103147603 [0,1,0,0,0,0|3,0,0]=4 3515 B12R0.248 CC/C=C\CSCCCN(C)CC 62a_100103147603_100015186262 [0,1,0,0,0,0|3,0,0]=4 3516 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [0,1,0,0,0,0|0,0,3]=4 3517 B12R0.248 CCC(=O)NCCCCCCCO 240690a_100011996573_100000210414 [0,1,0,0,0,0|3,0,0]=4 3518 B12R0.248 CCC(C)CCCCCOCCF 7a_200000035636_100011217306 [0,1,0,0,0,0|2,0,1]=4 3519 B12R0.248 CCC(C)CCCCCOCCO 7a_200000035636_100000211926 [0,1,0,0,0,0|1,0,1]=3 3520 B12R0.248 CCC(C)CCCOCC#CCO 7a_100011216074_200000047223 [0,1,0,0,0,0|1,0,2]=4 3521 B12R0.248 CCC(C)CCCOCCCCO 7a_100011216074_100000210776 [0,1,0,0,0,0|1,0,2]=4 3522 B12R0.248 CCC(C)CCNCCCCCO 2230a_100020591266_100000746330 [0,1,0,0,0,0|1,0,2]=4 3523 B12R0.248 CCC(C)CCNCCOCCO 2230a_100020591266_100011215305 [0,1,0,0,0,0|2,0,1]=4 3524 B12R0.248 CCC(C)CCOCCCCCO 7a_100011215188_100000746330 [0,1,0,0,0,0|1,0,2]=4 3525 B12R0.248 CCC(C)CCOCCOCCO 7a_100011215188_100011215305 [0,1,0,0,0,0|2,0,1]=4 3526 B12R0.248 CCC(C)CNCCCCCCO 2230a_100000686447_100000748023 [0,1,0,0,0,0|1,0,2]=4 3527 B12R0.248 CCC(C)CNCCCCCCO 2230a_100020588543_100000766143 [0,1,0,0,0,0|1,0,2]=4 3528 B12R0.248 CCC(C)CNCCCCCCO 270004a_100000686447_100000243153 [0,1,0,0,0,0|1,0,2]=4 3529 B12R0.248 CCC(C)CNCCCCCCO 34a_100000686447_100000748023 [0,1,0,0,0,0|1,0,2]=4 3530 B12R0.248 CCC(C)CSCCCCCCO 62a_100000748023_100000766143 [0,1,0,0,0,0|1,0,2]=4 3531 B12R0.248 CCC(C)CSCCCCCCO 62a_100000766143_100000748023 [0,1,0,0,0,0|1,0,2]=4 3532 B12R0.248 CCC(C)NCCCCCCCO 2230a_100000209981_100000760002 [0,1,0,0,0,0|1,0,2]=4 3533 B12R0.248 CCC(C)NCCCCCCCO 2230a_100011996573_100000758301 [0,1,0,0,0,0|1,0,2]=4 3534 B12R0.248 CCC(C)NCCCCCCCO 34a_100011996573_100011215416 [0,1,0,0,0,0|1,0,2]=4 3535 B12R0.248 CCC(C)OCCCCCCCO 7a_100000210228_100000760002 [0,1,0,0,0,0|1,0,2]=4 3536 B12R0.248 CCC(C)SCCCCCCCO 62a_100000758301_100000760002 [0,1,0,0,0,0|1,0,2]=4 3537 B12R0.248 CCC(C)SCCCCCCCO 62a_100000760002_100000758301 [0,1,0,0,0,0|1,0,2]=4 3538 B12R0.248 CCC(O)CNCCCCCCO 2230a_100000686447_100011218378 [0,1,0,0,0,0|1,0,2]=4 3539 B12R0.248 CCC(O)CNCCCCCCO 2230a_100011218483_100000766143 [0,1,0,0,0,0|1,0,2]=4 3540 B12R0.248 CCC(O)CNCCCCCCO 34a_100000686447_100011218378 [0,1,0,0,0,0|1,0,2]=4 3541 B12R0.248 CCC(O)CSCCCCCCO 62a_100000766143_100011218378 [0,1,0,0,0,0|1,0,2]=4 3542 B12R0.248 CCC(O)CSCCCCCCO 62a_100011218378_100000766143 [0,1,0,0,0,0|1,0,2]=4 3543 B12R0.248 CCCCC#CCCCC(=O)CO 1458a_100000210174_200000047210 [0,1,0,0,0,0|0,0,3]=4 3544 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [0,1,0,0,0,0|1,0,1]=3 3545 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [0,1,0,0,0,0|1,0,1]=3 3546 B12R0.248 CCCCCCCC=CC(=O)NC 11a_106832991635_200015332781 [0,1,0,0,0,0|2,0,1]=4 3547 B12R0.248 CCCCCCCC=CC(=O)NC 1626a_100102657272_200015332781 [0,1,0,0,0,0|2,0,1]=4 3548 B12R0.248 CCCCCCCC=CC(=O)NC 240690a_100102657272_200015332781 [0,1,0,0,0,0|2,0,1]=4 3549 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,1,0,0,0,0|1,0,1]=3 3550 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,1,0,0,0,0|1,0,1]=3 3551 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [0,1,0,0,0,0|1,0,1]=3 3552 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [0,1,0,0,0,0|0,0,1]=2 3553 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [0,1,0,0,0,0|2,0,1]=4 3554 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [0,1,0,0,0,0|2,0,1]=4 3555 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [0,1,0,0,0,0|2,0,1]=4 3556 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [0,1,0,0,0,0|2,0,1]=4 3557 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000225621_100011214924 [0,1,0,0,0,0|2,0,1]=4 3558 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000232482_100000210202 [0,1,0,0,0,0|2,0,1]=4 3559 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000225621_100000210670 [0,1,0,0,0,0|2,0,1]=4 3560 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000232482_100000204670 [0,1,0,0,0,0|2,0,1]=4 3561 B12R0.248 CCCCCCCCCN(C)CF 269982a_100000232482_100015361967 [0,1,0,0,0,0|2,0,1]=4 3562 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [0,1,0,0,0,0|2,0,0]=3 3563 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [0,1,0,0,0,0|2,0,0]=3 3564 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [0,1,0,0,0,0|2,0,0]=3 3565 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [0,1,0,0,0,0|2,0,0]=3 3566 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [0,1,0,0,0,0|1,0,0]=2 3567 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [0,1,0,0,0,0|1,0,0]=2 3568 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100000229939_106832991635 [0,1,0,0,0,0|3,0,0]=4 3569 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100102657272_100000229939 [0,1,0,0,0,0|3,0,0]=4 3570 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100000229939_100102657272 [0,1,0,0,0,0|3,0,0]=4 3571 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100102657272_100000229939 [0,1,0,0,0,0|3,0,0]=4 3572 B12R0.248 CCCCCCCCNC(=O)NC 512a_100000229939_100102657272 [0,1,0,0,0,0|3,0,0]=4 3573 B12R0.248 CCCCCCCCNC(=O)NC 512a_106832991638_100000229939 [0,1,0,0,0,0|3,0,0]=4 3574 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000209981_100000210759 [0,1,0,0,0,0|2,0,1]=4 3575 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000229939_100000758301 [0,1,0,0,0,0|2,0,1]=4 3576 B12R0.248 CCCCCCCCNC(C)CC 34a_100000229939_100011215416 [0,1,0,0,0,0|2,0,1]=4 3577 B12R0.248 CCCCCCCCNC(C)CO 2230a_100000229939_100012180447 [0,1,0,0,0,0|1,0,1]=3 3578 B12R0.248 CCCCCCCCNC(C)CO 34a_100000229939_100012180447 [0,1,0,0,0,0|1,0,1]=3 3579 B12R0.248 CCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210759 [0,1,0,0,0,0|1,0,1]=3 3580 B12R0.248 CCCCCCCCOC(C)CC 34a_100000210232_100011215416 [0,1,0,0,0,0|2,0,1]=4 3581 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210228_100000210759 [0,1,0,0,0,0|2,0,1]=4 3582 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210232_100000758301 [0,1,0,0,0,0|2,0,1]=4 3583 B12R0.248 CCCCCCCCOC(C)CF 34a_100016041109_100000210759 [0,1,0,0,0,0|2,0,1]=4 3584 B12R0.248 CCCCCCCCOC(C)CF 7a_100016041109_100000210759 [0,1,0,0,0,0|2,0,1]=4 3585 B12R0.248 CCCCCCCCOC(C)CN 34a_100000210904_100000210759 [0,1,0,0,0,0|2,0,1]=4 3586 B12R0.248 CCCCCCCCOC(C)CO 34a_100000210232_100012180447 [0,1,0,0,0,0|1,0,1]=3 3587 B12R0.248 CCCCCCCCOC(C)CO 7a_100000210232_100012180447 [0,1,0,0,0,0|1,0,1]=3 3588 B12R0.248 CCCCCCCCSC(C)CC 62a_100000210759_100000758301 [0,1,0,0,0,0|2,0,1]=4 3589 B12R0.248 CCCCCCCCSC(C)CC 62a_100000758301_100000210317 [0,1,0,0,0,0|2,0,1]=4 3590 B12R0.248 CCCCCCCCSC(C)CO 62a_100012180447_100000210317 [0,1,0,0,0,0|1,0,1]=3 3591 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100000210759_100016084084 [0,1,0,0,0,0|1,0,1]=3 3592 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100016084084_100000210317 [0,1,0,0,0,0|1,0,1]=3 3593 B12R0.248 CCCCCCCNCC(C)CO 34a_100000744482_100000210614 [0,1,0,0,0,0|1,0,2]=4 3594 B12R0.248 CCCCCCCNCC(O)CO 2230a_100000229938_100011219619 [0,1,0,0,0,0|1,0,2]=4 3595 B12R0.248 CCCCCCCNC[C@@H](C)CO 2230a_100000229938_100000059175 [0,1,0,0,0,0|1,0,2]=4 3596 B12R0.248 CCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210614 [0,1,0,0,0,0|1,0,2]=4 3597 B12R0.248 CCCCCCCNC[C@@H](O)CO 2230a_100000229938_100009815848 [0,1,0,0,0,0|1,0,2]=4 3598 B12R0.248 CCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210681 [0,1,0,0,0,0|1,0,2]=4 3599 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [0,1,0,0,0,0|2,0,1]=4 3600 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [0,1,0,0,0,0|2,0,1]=4 3601 B12R0.248 CCCCCCCOCC(O)CO 34a_100000210272_100011219619 [0,1,0,0,0,0|1,0,2]=4 3602 B12R0.248 CCCCCCCOCC(O)CO 7a_100000210272_100011219619 [0,1,0,0,0,0|1,0,2]=4 3603 B12R0.248 CCCCCCCOC[C@@H](C)CO 34a_100000210272_100000059175 [0,1,0,0,0,0|1,0,2]=4 3604 B12R0.248 CCCCCCCOC[C@@H](C)CO 7a_100000210272_100000059175 [0,1,0,0,0,0|1,0,2]=4 3605 B12R0.248 CCCCCCCOC[C@@H](O)CO 34a_100000210272_100009815848 [0,1,0,0,0,0|1,0,2]=4 3606 B12R0.248 CCCCCCCOC[C@@H](O)CO 7a_100000210272_100009815848 [0,1,0,0,0,0|1,0,2]=4 3607 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [0,1,0,0,0,0|2,0,1]=4 3608 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [0,1,0,0,0,0|2,0,1]=4 3609 B12R0.248 CCCCCCCSCC(O)CO 62a_100000210614_100011219619 [0,1,0,0,0,0|1,0,2]=4 3610 B12R0.248 CCCCCCCSCC(O)CO 62a_100011219619_100000210316 [0,1,0,0,0,0|1,0,2]=4 3611 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210316 [0,1,0,0,0,0|1,0,2]=4 3612 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000210614_100000059175 [0,1,0,0,0,0|1,0,2]=4 3613 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100000210614_100009815848 [0,1,0,0,0,0|1,0,2]=4 3614 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210316 [0,1,0,0,0,0|1,0,2]=4 3615 B12R0.248 CCCCCCNCCC(C)CO 2230a_106354213184_100000210314 [0,1,0,0,0,0|1,0,2]=4 3616 B12R0.248 CCCCCCNCCC(C)CO 34a_106354213184_100000210314 [0,1,0,0,0,0|1,0,2]=4 3617 B12R0.248 CCCCCCOCCC(=NO)N 34a_100000749954_100000210314 [0,1,0,0,0,0|2,0,1]=4 3618 B12R0.248 CCCCCNCCNC(=O)CC 34a_100132302217_100000718602 [0,1,0,0,0,0|3,0,0]=4 3619 B12R0.248 CCCCCNCCOC(C)CO 34a_100000224656_100012180447 [0,1,0,0,0,0|2,0,1]=4 3620 B12R0.248 CCCCCOCCNC(=O)CC 34a_200000158885_100000718602 [0,1,0,0,0,0|3,0,0]=4 3621 B12R0.248 CCCCCOCCNC(=O)CC 7a_200000158885_100000210326 [0,1,0,0,0,0|3,0,0]=4 3622 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [0,1,0,0,0,0|3,0,0]=4 3623 B12R0.248 CCCCCOCCOC(C)CO 34a_100011215259_100012180447 [0,1,0,0,0,0|2,0,1]=4 3624 B12R0.248 CCCCCOCCOC(C)CO 7a_100011215259_100012180447 [0,1,0,0,0,0|2,0,1]=4 3625 B12R0.248 CCCCOCCCNC(=O)CC 1626a_200000211371_100000210414 [0,1,0,0,0,0|3,0,0]=4 3626 B12R0.248 CCCCOCCCNC(=O)CC 240690a_200000211371_100000210414 [0,1,0,0,0,0|3,0,0]=4 3627 B12R0.248 CCCCOCCCNC(=O)CC 527a_200000211371_100000210414 [0,1,0,0,0,0|3,0,0]=4 3628 B12R0.248 CCCCOCCCNC(=O)CO 240690a_200000211371_100000210174 [0,1,0,0,0,0|2,0,0]=3 3629 B12R0.248 CCCCOCCCNC(=O)CO 527a_200000211371_100000210174 [0,1,0,0,0,0|2,0,0]=3 3630 B12R0.248 CCCCOCCCNC(C)CO 2230a_200000211371_100012180447 [0,1,0,0,0,0|2,0,1]=4 3631 B12R0.248 CCCCOCCCNC(C)CO 34a_200000211371_100012180447 [0,1,0,0,0,0|2,0,1]=4 3632 B12R0.248 CCCCOCCCOC(C)CO 34a_200011215613_100012180447 [0,1,0,0,0,0|2,0,1]=4 3633 B12R0.248 CCCCOCCCOC(C)CO 7a_200011215613_100012180447 [0,1,0,0,0,0|2,0,1]=4 3634 B12R0.248 CCCOCCCCCC(C)CC 7a_200000035636_100000210303 [0,1,0,0,0,0|2,0,1]=4 3635 B12R0.248 CCN(C)CCCCCCCCO 2230a_100000225621_100000033203 [0,1,0,0,0,0|1,0,2]=4 3636 B12R0.248 CCN(C)CCCCCCCCO 269982a_100000225621_100000033203 [0,1,0,0,0,0|1,0,2]=4 3637 B12R0.248 CCOCCOCCNC(=O)CO 240690a_100102712874_100000210174 [0,1,0,0,0,0|3,0,0]=4 3638 B12R0.248 CCOCCOCCNC(=O)CO 527a_100102712874_100000210174 [0,1,0,0,0,0|3,0,0]=4 3639 B12R0.248 CC[C@H](C)CNCCCCCCO 2230a_100000686447_100009816398 [0,1,0,0,0,0|1,0,2]=4 3640 B12R0.248 CC[C@H](C)CNCCCCCCO 34a_100000686447_100009816398 [0,1,0,0,0,0|1,0,2]=4 3641 B12R0.248 CC[C@H](C)COCCCCCCO 7a_100009816381_100000766143 [0,1,0,0,0,0|1,0,2]=4 3642 B12R0.248 CC[C@H](C)CSCCCCCCO 62a_100000766143_100009816398 [0,1,0,0,0,0|1,0,2]=4 3643 B12R0.248 CC[C@H](C)CSCCCCCCO 62a_100009816398_100000766143 [0,1,0,0,0,0|1,0,2]=4 3644 B12R0.248 COCCCCCCN[C@H](C)CO 2230a_100000737577_100011998445 [0,1,0,0,0,0|2,0,1]=4 3645 B12R0.248 COCCCCCCOC(C)CO 34a_200012092642_100012180447 [0,1,0,0,0,0|2,0,1]=4 3646 B12R0.248 COCCCCCCOC(C)CO 7a_200012092642_100012180447 [0,1,0,0,0,0|2,0,1]=4 3647 B12R0.248 COCCCCCCSC(C)CO 62a_100012180447_100011998445 [0,1,0,0,0,0|2,0,1]=4 3648 B12R0.248 COCCCCCCS[C@H](C)CO 62a_100011998445_100016084084 [0,1,0,0,0,0|2,0,1]=4 3649 B12R0.248 COCCCCCCS[C@H](C)CO 62a_100016084084_100011998445 [0,1,0,0,0,0|2,0,1]=4 3650 B12R0.248 COCCOCCCNC(=O)CO 240690a_100000206027_100000210174 [0,1,0,0,0,0|3,0,0]=4 3651 B12R0.248 C[C@H](CO)NCCCCCCCO 2230a_100000737577_100000760002 [0,1,0,0,0,0|2,0,1]=4 3652 B12R0.248 C[C@H](CO)SCCCCCCCO 62a_100000760002_100016084084 [0,1,0,0,0,0|2,0,1]=4 3653 B12R0.248 C[C@H](CO)SCCCCCCCO 62a_100016084084_100000760002 [0,1,0,0,0,0|2,0,1]=4 3654 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [0,1,0,0,0,0|1,0,1]=3 3655 B12R0.248 O=C(CO)NCCCCCCCO 240690a_100011996573_100000210174 [0,1,0,0,0,0|2,0,0]=3 3656 B12R0.248 O=C(CO)NCCCOCCCO 240690a_100011310245_100000210174 [0,1,0,0,0,0|3,0,0]=4 3657 B12R1.8 BrCCOCCC1CCCCC1 34a_100000211926_100011209188 [0,0,0,1,0,0|2,0,1]=4 3658 B12R1.8 CC/C=C\CCN1CCCOC1 2230a_100000131196_100015370543 [0,0,0,1,0,0|3,0,0]=4 3659 B12R1.8 CC/C=C\CCN1CCCOC1 269982a_100000131196_100015370543 [0,0,0,1,0,0|3,0,0]=4 3660 B12R1.8 CC/C=C\CCN1CCCOC1 34a_100000131196_100015370543 [0,0,0,1,0,0|3,0,0]=4 3661 B12R1.8 CC/C=C\CCN1CCOCC1 2230a_100015191051_100015370543 [0,0,0,1,0,0|3,0,0]=4 3662 B12R1.8 CC/C=C\CCN1CCOCC1 269982a_100015191051_100015370543 [0,0,0,1,0,0|3,0,0]=4 3663 B12R1.8 CC/C=C\CCN1CCOCC1 34a_100015191051_100015370543 [0,0,0,1,0,0|3,0,0]=4 3664 B12R1.8 CC/C=C\CCN1CCSCC1 2230a_100000737611_100015370543 [0,0,0,1,0,0|3,0,0]=4 3665 B12R1.8 CC/C=C\CCN1CCSCC1 269982a_100000737611_100015370543 [0,0,0,1,0,0|3,0,0]=4 3666 B12R1.8 CC/C=C\CNC1CCCCC1 2230a_100000182618_100103147603 [0,0,0,1,0,0|2,0,0]=3 3667 B12R1.8 CC/C=C\CNC1CCCCC1 34a_100000182618_100103147603 [0,0,0,1,0,0|2,0,0]=3 3668 B12R1.8 CC/C=C\CNC1CCCOC1 2230a_100000719290_100103147603 [0,0,0,1,0,0|3,0,0]=4 3669 B12R1.8 CC/C=C\CNC1CCCOC1 34a_100000719290_100103147603 [0,0,0,1,0,0|3,0,0]=4 3670 B12R1.8 CC/C=C\CNC1CCOCC1 2230a_100000741149_100103147603 [0,0,0,1,0,0|3,0,0]=4 3671 B12R1.8 CC/C=C\CNC1CCOCC1 34a_100000741149_100103147603 [0,0,0,1,0,0|3,0,0]=4 3672 B12R1.8 CC/C=C\CNC1CCSCC1 2230a_100000748639_100103147603 [0,0,0,1,0,0|3,0,0]=4 3673 B12R1.8 CC/C=C\CNC1CCSCC1 34a_100000748639_100103147603 [0,0,0,1,0,0|3,0,0]=4 3674 B12R1.8 CC/C=C\COC1CCCCC1 34a_100000210231_100103147603 [0,0,0,1,0,0|2,0,0]=3 3675 B12R1.8 CC/C=C\COC1CCCCC1 34a_100016268518_100000210327 [0,0,0,1,0,0|2,0,0]=3 3676 B12R1.8 CC/C=C\COC1CCCCC1 7a_100000210231_100103147603 [0,0,0,1,0,0|2,0,0]=3 3677 B12R1.8 CC/C=C\COC1CCCCO1 34a_100000033831_100103147603 [0,0,0,1,0,0|3,0,0]=4 3678 B12R1.8 CC/C=C\COC1CCCOC1 34a_100000754041_100103147603 [0,0,0,1,0,0|3,0,0]=4 3679 B12R1.8 CC/C=C\COC1CCCOC1 34a_100016268518_100000693364 [0,0,0,1,0,0|3,0,0]=4 3680 B12R1.8 CC/C=C\COC1CCCSC1 7a_100015962668_100103147603 [0,0,0,1,0,0|3,0,0]=4 3681 B12R1.8 CC/C=C\COC1CCOCC1 34a_100000744328_100103147603 [0,0,0,1,0,0|3,0,0]=4 3682 B12R1.8 CC/C=C\COC1CCSCC1 34a_100000731022_100103147603 [0,0,0,1,0,0|3,0,0]=4 3683 B12R1.8 CC/C=C\COC1CCSCC1 34a_100016268518_100000069128 [0,0,0,1,0,0|3,0,0]=4 3684 B12R1.8 CC/C=C\COC1CCSCC1 7a_100000731022_100103147603 [0,0,0,1,0,0|3,0,0]=4 3685 B12R1.8 CC/C=C\CSC1CCCCC1 62a_100000210327_100103147603 [0,0,0,1,0,0|2,0,0]=3 3686 B12R1.8 CC/C=C\CSC1CCCCC1 62a_100103147603_100000210327 [0,0,0,1,0,0|2,0,0]=3 3687 B12R1.8 CC/C=C\CSC1CCCOC1 62a_100103147603_100000693364 [0,0,0,1,0,0|3,0,0]=4 3688 B12R1.8 CC/C=C\CSC1CCOCC1 62a_100103147603_100011324220 [0,0,0,1,0,0|3,0,0]=4 3689 B12R1.8 CC/C=C\CSC1CCSCC1 62a_100103147603_100000069128 [0,0,0,1,0,0|3,0,0]=4 3690 B12R1.8 CCC=NNCC1CCCCC1 4a_100000740227_100000210100 [0,0,0,1,0,0|3,0,0]=4 3691 B12R1.8 CCCCCCN1CC=CCC1 2230a_100000698166_100000210314 [0,0,0,1,0,0|2,0,0]=3 3692 B12R1.8 CCCCCCN1CC=CCC1 269982a_100000698166_100000210757 [0,0,0,1,0,0|2,0,0]=3 3693 B12R1.8 CCCCCCN1CC=CCC1 34a_100000698166_100000210314 [0,0,0,1,0,0|2,0,0]=3 3694 B12R1.8 CCCCCOC1CC=CCC1 34a_100000073881_100000718602 [0,0,0,1,0,0|2,0,0]=3 3695 B12R1.8 CCCCCOC1CCCCO1 34a_100000033831_100000718602 [0,0,0,1,0,0|1,0,2]=4 3696 B12R1.8 CCCCNCC1CC=CCC1 270004a_100000102301_100000189434 [0,0,0,1,0,0|2,0,0]=3 3697 B12R1.8 CCCCNCC1CCCCO1 2230a_100000102301_100000211543 [0,0,0,1,0,0|1,0,2]=4 3698 B12R1.8 CCCCNCC1CCCCO1 2230a_100000174945_100000210211 [0,0,0,1,0,0|1,0,2]=4 3699 B12R1.8 CCCCNCC1CCCCO1 34a_100000174945_100000210210 [0,0,0,1,0,0|1,0,2]=4 3700 B12R1.8 CCCCNCC1CCCCO1 7a_106832991798_100000211543 [0,0,0,1,0,0|1,0,2]=4 3701 B12R1.8 CCCCNC[C@H]1COCCO1 2230a_100010981119_100000210211 [0,0,0,1,0,0|2,0,1]=4 3702 B12R1.8 CCCCNC[C@H]1COCCO1 34a_100010981119_100000210210 [0,0,0,1,0,0|2,0,1]=4 3703 B12R1.8 CCCCOCC1CC=CCC1 34a_100000210713_100000210210 [0,0,0,1,0,0|2,0,0]=3 3704 B12R1.8 CCCCOCC1CCC=CO1 34a_100011217868_100000210210 [0,0,0,1,0,0|1,0,2]=4 3705 B12R1.8 CCCCOCC1CCCCO1 34a_100000210227_100000211543 [0,0,0,1,0,0|1,0,2]=4 3706 B12R1.8 CCCCOCC1CCCCO1 34a_100000211370_100000210210 [0,0,0,1,0,0|1,0,2]=4 3707 B12R1.8 CCCCOCC1CCCCO1 7a_100000210227_100000211543 [0,0,0,1,0,0|1,0,2]=4 3708 B12R1.8 CCCCOCC1CCCCO1 7a_100000211370_100000210211 [0,0,0,1,0,0|1,0,2]=4 3709 B12R1.8 CCCCOCN1CC=CCC1 2230a_100000698166_100011995733 [0,0,0,1,0,0|3,0,0]=4 3710 B12R1.8 CCCCOCN1CC=CCC1 269982a_100000698166_100011995733 [0,0,0,1,0,0|3,0,0]=4 3711 B12R1.8 CCCCOCN1CC=CCC1 34a_100000698166_100011995733 [0,0,0,1,0,0|3,0,0]=4 3712 B12R1.8 CCCCOC[C@@H]1CNCCO1 34a_100015189573_100000210210 [0,0,0,1,0,0|2,0,1]=4 3713 B12R1.8 CCCCOC[C@H]1COCCO1 34a_100009875890_100000210210 [0,0,0,1,0,0|2,0,1]=4 3714 B12R1.8 CCCCSCC1CCCCO1 62a_100000210211_100000211543 [0,0,0,1,0,0|1,0,2]=4 3715 B12R1.8 CCCCSCC1CCCCO1 62a_100000211543_100000210210 [0,0,0,1,0,0|1,0,2]=4 3716 B12R1.8 CCCNCCC1CCCCC1 2230a_100000738074_100000210303 [0,0,0,1,0,0|2,0,1]=4 3717 B12R1.8 CCCNCCC1CCCCC1 270004a_100020643023_100011713444 [0,0,0,1,0,0|2,0,1]=4 3718 B12R1.8 CCCNCCC1CCCCC1 34a_100000738074_100000210303 [0,0,0,1,0,0|2,0,1]=4 3719 B12R1.8 CCCNCCC1CCCCO1 2230a_100015183643_100000210303 [0,0,0,1,0,0|1,0,2]=4 3720 B12R1.8 CCCNCCC1CCCCO1 34a_100015183643_100000210303 [0,0,0,1,0,0|1,0,2]=4 3721 B12R1.8 CCCOCCC1CCCCC1 34a_100000210258_100011209188 [0,0,0,1,0,0|2,0,1]=4 3722 B12R1.8 CCCOCCC1CCCCC1 34a_100011217863_100000210303 [0,0,0,1,0,0|2,0,1]=4 3723 B12R1.8 CCCOCCC1CCCCC1 7a_100011217863_100000210303 [0,0,0,1,0,0|2,0,1]=4 3724 B12R1.8 CCCOCCN1CC=CCC1 2230a_100000698166_100011215938 [0,0,0,1,0,0|3,0,0]=4 3725 B12R1.8 CCCOCCN1CC=CCC1 269982a_100000698166_100011215938 [0,0,0,1,0,0|3,0,0]=4 3726 B12R1.8 CCCOCCN1CC=CCC1 34a_100000698166_100011215938 [0,0,0,1,0,0|3,0,0]=4 3727 B12R1.8 CCCSCCC1CCCCC1 62a_100000210303_100012355289 [0,0,0,1,0,0|2,0,1]=4 3728 B12R1.8 CCCSCCC1CCCCC1 62a_100012355289_100000210303 [0,0,0,1,0,0|2,0,1]=4 3729 B12R1.8 CCNCCCC1CCCCC1 2230a_100011211642_100000210202 [0,0,0,1,0,0|2,0,1]=4 3730 B12R1.8 CCNCCCC1CCCCC1 2230a_100015525214_100011713725 [0,0,0,1,0,0|2,0,1]=4 3731 B12R1.8 CCNCCCC1CCCCC1 34a_100011211642_100000210202 [0,0,0,1,0,0|2,0,1]=4 3732 B12R1.8 CCOCCCC1=CCC=CC1 34a_100020667889_100000210202 [0,0,0,1,0,0|2,0,1]=4 3733 B12R1.8 CCOCCCC1CCCCC1 34a_100000198086_100000210202 [0,0,0,1,0,0|2,0,1]=4 3734 B12R1.8 CCOCCCC1CCCCC1 34a_100121572206_100011713725 [0,0,0,1,0,0|2,0,1]=4 3735 B12R1.8 CCOCCCC1CCCCC1 7a_100000198086_100000210202 [0,0,0,1,0,0|2,0,1]=4 3736 B12R1.8 CCOCCCN1CC=CCC1 2230a_100000698166_100012232248 [0,0,0,1,0,0|3,0,0]=4 3737 B12R1.8 CCOCCCN1CC=CCC1 269982a_100000698166_100012232248 [0,0,0,1,0,0|3,0,0]=4 3738 B12R1.8 CCOCCCN1CC=CCC1 34a_100000698166_100012232248 [0,0,0,1,0,0|3,0,0]=4 3739 B12R1.8 CCOCCOC1CC=CCC1 34a_100000073881_100000210147 [0,0,0,1,0,0|3,0,0]=4 3740 B12R1.8 CCSCCCC1CCCCC1 62a_100000210202_100011713725 [0,0,0,1,0,0|2,0,1]=4 3741 B12R1.8 CCSCCCC1CCCCC1 62a_100011713725_100000210202 [0,0,0,1,0,0|2,0,1]=4 3742 B12R1.8 CCSCCOC1CC=CCC1 34a_100000073881_100000757381 [0,0,0,1,0,0|3,0,0]=4 3743 B12R1.8 COCCCCN1CC=CCC1 2230a_100000698166_100000730899 [0,0,0,1,0,0|3,0,0]=4 3744 B12R1.8 COCCCCN1CC=CCC1 269982a_100000698166_100000730899 [0,0,0,1,0,0|3,0,0]=4 3745 B12R1.8 COCCCCN1CC=CCC1 34a_100000698166_100000755781 [0,0,0,1,0,0|3,0,0]=4 3746 B12R1.8 COCCCOC1CC=CCC1 34a_100000073881_100000740836 [0,0,0,1,0,0|3,0,0]=4 3747 B12R1.8 COCCNCC1CC=CCC1 270004a_100000209980_100000189434 [0,0,0,1,0,0|3,0,0]=4 3748 B12R1.8 COCCOCC1CC=CCC1 34a_100000210713_100011201679 [0,0,0,1,0,0|3,0,0]=4 3749 B12R1.8 CSCCNCC1CC=CCC1 270004a_100020590264_100000189434 [0,0,0,1,0,0|3,0,0]=4 3750 B12R1.8 CSCCOCC1CC=CCC1 34a_100000210713_100000212216 [0,0,0,1,0,0|3,0,0]=4 3751 B12R1.8 FCCCCCN1CC=CCC1 2230a_100000698166_100000729378 [0,0,0,1,0,0|3,0,0]=4 3752 B12R1.8 FCCCCCN1CC=CCC1 269982a_100000698166_100000729378 [0,0,0,1,0,0|3,0,0]=4 3753 B12R1.8 FCCCCCN1CC=CCC1 34a_100000698166_100000729378 [0,0,0,1,0,0|3,0,0]=4 3754 B12R1.8 FCCCCOC1CC=CCC1 34a_100000073881_100000729493 [0,0,0,1,0,0|3,0,0]=4 3755 B12R1.8 FCCCNCC1CC=CCC1 270004a_100015189416_100000189434 [0,0,0,1,0,0|3,0,0]=4 3756 B12R1.8 FCCCOCC1CC=CCC1 34a_100000210713_100011934791 [0,0,0,1,0,0|3,0,0]=4 3757 B12R1.8 FCCNCCC1CCCCC1 2230a_100000738074_100011217306 [0,0,0,1,0,0|2,0,1]=4 3758 B12R1.8 FCCNCCC1CCCCC1 34a_100000724931_100011209188 [0,0,0,1,0,0|2,0,1]=4 3759 B12R1.8 FCCNCCC1CCCCC1 34a_100000738074_100011217306 [0,0,0,1,0,0|2,0,1]=4 3760 B12R1.8 FCCOCCC1CCCCC1 34a_100011217863_100011217306 [0,0,0,1,0,0|2,0,1]=4 3761 B12R1.8 FCCOCCC1CCCCC1 7a_100011217863_100011217306 [0,0,0,1,0,0|2,0,1]=4 3762 B12R1.8 FCCSCCC1CCCCC1 62a_100011217306_100012355289 [0,0,0,1,0,0|2,0,1]=4 3763 B12R1.8 FCCSCCC1CCCCC1 62a_100012355289_100011217306 [0,0,0,1,0,0|2,0,1]=4 3764 B12R1.8 FCNCCCC1CCCCC1 34a_100011211642_100015361967 [0,0,0,1,0,0|2,0,1]=4 3765 B12R1.8 FCOCCCC1CCCCC1 34a_100000198086_100015361967 [0,0,0,1,0,0|2,0,1]=4 3766 B12R1.8 FCOCCCC1CCCCC1 7a_100000198086_100015361967 [0,0,0,1,0,0|2,0,1]=4 3767 B12R1.8 FCSCCCC1CCCCC1 62a_100011713725_100015361967 [0,0,0,1,0,0|2,0,1]=4 3768 B12R1.8 FCSCCCC1CCCCC1 62a_100015361967_100011713725 [0,0,0,1,0,0|2,0,1]=4 3769 B12R1.8 NCCOCCC1CCCCC1 34a_100000210304_100011209188 [0,0,0,1,0,0|2,0,1]=4 3770 B12R1.8 OCC#CCNC1CCCCC1 2230a_100000182618_200000047223 [0,0,0,1,0,0|1,0,2]=4 3771 B12R1.8 OCC#CCNC1CCCCC1 34a_100000182618_200000047223 [0,0,0,1,0,0|1,0,2]=4 3772 B12R1.8 OCC#CCOC1CCCCC1 34a_100000210231_200000047223 [0,0,0,1,0,0|1,0,2]=4 3773 B12R1.8 OCC#CCOC1CCCCC1 7a_100000210231_200000047223 [0,0,0,1,0,0|1,0,2]=4 3774 B12R1.8 OCC#CCSC1CCCCC1 62a_100000210327_200000047223 [0,0,0,1,0,0|1,0,2]=4 3775 B12R1.8 OCC#CCSC1CCCCC1 62a_200000047223_100000210327 [0,0,0,1,0,0|1,0,2]=4 3776 B12R1.8 OCCCCCN1CC=CCC1 2230a_100000698166_100000746330 [0,0,0,1,0,0|3,0,0]=4 3777 B12R1.8 OCCCCCN1CC=CCC1 269982a_100000698166_100000746330 [0,0,0,1,0,0|3,0,0]=4 3778 B12R1.8 OCCCCCN1CC=CCC1 34a_100000698166_100000746330 [0,0,0,1,0,0|3,0,0]=4 3779 B12R1.8 OCCCCNC1CCCCC1 2230a_100000182618_100000210776 [0,0,0,1,0,0|1,0,2]=4 3780 B12R1.8 OCCCCNC1CCCCC1 270004a_100000750430_100000210434 [0,0,0,1,0,0|1,0,2]=4 3781 B12R1.8 OCCCCNC1CCCCC1 34a_100000182618_100011216708 [0,0,0,1,0,0|1,0,2]=4 3782 B12R1.8 OCCCCNC1CCCCC1 34a_100000750430_100000210327 [0,0,0,1,0,0|1,0,2]=4 3783 B12R1.8 OCCCCOC1CC=CCC1 34a_100000073881_100011216708 [0,0,0,1,0,0|3,0,0]=4 3784 B12R1.8 OCCCCOC1CCCCC1 34a_100000210231_100011216708 [0,0,0,1,0,0|1,0,2]=4 3785 B12R1.8 OCCCCOC1CCCCC1 7a_100000210231_100000210776 [0,0,0,1,0,0|1,0,2]=4 3786 B12R1.8 OCCCCSC1CCCCC1 62a_100000210327_100000210776 [0,0,0,1,0,0|1,0,2]=4 3787 B12R1.8 OCCCCSC1CCCCC1 62a_100000210776_100000210327 [0,0,0,1,0,0|1,0,2]=4 3788 B12R1.8 OCCCNCC1CC=CCC1 270004a_100000182051_100000189434 [0,0,0,1,0,0|3,0,0]=4 3789 B12R1.8 OCCCNCC1CCCCC1 2230a_100000210473_100000230001 [0,0,0,1,0,0|1,0,2]=4 3790 B12R1.8 OCCCNCC1CCCCC1 269862a_100000182051_100000211278 [0,0,0,1,0,0|1,0,2]=4 3791 B12R1.8 OCCCNCC1CCCCC1 34a_100000210473_100000230001 [0,0,0,1,0,0|1,0,2]=4 3792 B12R1.8 OCCCOCC1CC=CCC1 34a_100000210713_100000230001 [0,0,0,1,0,0|3,0,0]=4 3793 B12R1.8 OCCCOCC1CCCCC1 34a_100000212181_100000230001 [0,0,0,1,0,0|1,0,2]=4 3794 B12R1.8 OCCCOCC1CCCCC1 7a_100000212181_100011215043 [0,0,0,1,0,0|1,0,2]=4 3795 B12R1.8 OCCCSCC1CCCCC1 62a_100000211423_100011215043 [0,0,0,1,0,0|1,0,2]=4 3796 B12R1.8 OCCCSCC1CCCCC1 62a_100011215043_100000211423 [0,0,0,1,0,0|1,0,2]=4 3797 B12R1.8 OCCNCCC1CCCCC1 2230a_100000738074_100000211926 [0,0,0,1,0,0|1,0,1]=3 3798 B12R1.8 OCCNCCC1CCCCC1 2230a_100016997473_100012355289 [0,0,0,1,0,0|1,0,1]=3 3799 B12R1.8 OCCNCCC1CCCCC1 270004a_100000210304_100011713444 [0,0,0,1,0,0|1,0,1]=3 3800 B12R1.8 OCCNCCC1CCCCC1 34a_100000738074_100000211926 [0,0,0,1,0,0|1,0,1]=3 3801 B12R1.8 OCCNCCC1CCCCC1 34a_100016990907_100011209188 [0,0,0,1,0,0|1,0,1]=3 3802 B12R1.8 OCCNCCC1CCCCO1 2230a_100015183643_100000211926 [0,0,0,1,0,0|2,0,1]=4 3803 B12R1.8 OCCNCCC1CCCCO1 34a_100015183643_100000211926 [0,0,0,1,0,0|2,0,1]=4 3804 B12R1.8 OCCNCCC1CCOCC1 2230a_100000755988_100000211926 [0,0,0,1,0,0|2,0,1]=4 3805 B12R1.8 OCCNCCC1CCOCC1 2230a_100016997473_100011934994 [0,0,0,1,0,0|2,0,1]=4 3806 B12R1.8 OCCNCCC1CCOCC1 34a_100000755988_100000211926 [0,0,0,1,0,0|2,0,1]=4 3807 B12R1.8 OCCNCCC1CCOCC1 34a_100016990907_100011934994 [0,0,0,1,0,0|2,0,1]=4 3808 B12R1.8 OCCNCCN1CCCCC1 2230a_100016997473_100000739454 [0,0,0,1,0,0|2,0,1]=4 3809 B12R1.8 OCCNCCN1CCCCC1 34a_100016990907_100000739454 [0,0,0,1,0,0|2,0,1]=4 3810 B12R1.8 OCCNCOC1CCCCC1 2230a_100016997473_100011935260 [0,0,0,1,0,0|2,0,1]=4 3811 B12R1.8 OCCNCOC1CCCCC1 34a_100016990907_100011935260 [0,0,0,1,0,0|2,0,1]=4 3812 B12R1.8 OCCOCCC1CCCCC1 34a_100011217863_100000211926 [0,0,0,1,0,0|1,0,1]=3 3813 B12R1.8 OCCOCCC1CCCCC1 7a_100011217863_100000211926 [0,0,0,1,0,0|1,0,1]=3 3814 B12R1.8 OCCOCCC1CCCCN1 34a_100000211664_100000211926 [0,0,0,1,0,0|2,0,1]=4 3815 B12R1.8 OCCOCCC1CCCNC1 34a_100000752241_100000211926 [0,0,0,1,0,0|2,0,1]=4 3816 B12R1.8 OCCOCCC1CCNCC1 34a_100015190746_100000211926 [0,0,0,1,0,0|2,0,1]=4 3817 B12R1.8 OCCOCCC1CCOCC1 34a_100011933979_100000211926 [0,0,0,1,0,0|2,0,1]=4 3818 B12R1.8 OCCOCCC1CCOCC1 7a_100011933979_100000211926 [0,0,0,1,0,0|2,0,1]=4 3819 B12R1.8 OCCSCCC1CCCCC1 62a_100000211926_100012355289 [0,0,0,1,0,0|1,0,1]=3 3820 B12R1.8 OCCSCCC1CCCCC1 62a_100012355289_100000211926 [0,0,0,1,0,0|1,0,1]=3 3821 B12R1.8 OCCSCCC1CCOCC1 62a_100000211926_100011934994 [0,0,0,1,0,0|2,0,1]=4 3822 B12R1.8 OCCSCCC1CCOCC1 62a_100011934994_100000211926 [0,0,0,1,0,0|2,0,1]=4 3823 B12R1.8 OCCSCCN1CCCCC1 62a_100000211926_100000739454 [0,0,0,1,0,0|2,0,1]=4 3824 B12R1.8 OCCSCCN1CCCCC1 62a_100000739454_100000211926 [0,0,0,1,0,0|2,0,1]=4 3825 B12R1.8 OCCSCOC1CCCCC1 62a_100000211926_100011935260 [0,0,0,1,0,0|2,0,1]=4 3826 B12R1.8 OCCSCOC1CCCCC1 62a_100011935260_100000211926 [0,0,0,1,0,0|2,0,1]=4 3827 B12R1.37 BrCCOCCCC1CCCC1 34a_100000211926_100011713738 [0,0,0,1,0,0|2,0,1]=4 3828 B12R1.37 CC/C=C\CCNC1CCCC1 2230a_100000211070_100015370543 [0,0,0,1,0,0|2,0,0]=3 3829 B12R1.37 CC/C=C\CCNC1CCCC1 34a_100000211070_100015370543 [0,0,0,1,0,0|2,0,0]=3 3830 B12R1.37 CC/C=C\CCN[C@@H]1CCOC1 2230a_200015188469_100015370543 [0,0,0,1,0,0|3,0,0]=4 3831 B12R1.37 CC/C=C\CCN[C@H]1CCOC1 2230a_100015188467_100015370543 [0,0,0,1,0,0|3,0,0]=4 3832 B12R1.37 CC/C=C\CCN[C@H]1CCOC1 34a_100015188467_100015370543 [0,0,0,1,0,0|3,0,0]=4 3833 B12R1.37 CC/C=C\CCOC1CCCC1 34a_100000210269_100015370543 [0,0,0,1,0,0|2,0,0]=3 3834 B12R1.37 CC/C=C\CCOC1CCCC1 34a_100016288707_100000179811 [0,0,0,1,0,0|2,0,0]=3 3835 B12R1.37 CC/C=C\CCOC1CCCC1 7a_100000210269_100015370543 [0,0,0,1,0,0|2,0,0]=3 3836 B12R1.37 CC/C=C\CCOC1CCCC1 7a_100016288707_100000179811 [0,0,0,1,0,0|2,0,0]=3 3837 B12R1.37 CC/C=C\CCOC1CCCO1 34a_100000085407_100015370543 [0,0,0,1,0,0|3,0,0]=4 3838 B12R1.37 CC/C=C\CCOC1CCOC1 34a_100016288707_100000690089 [0,0,0,1,0,0|3,0,0]=4 3839 B12R1.37 CC/C=C\CCOC1CCOC1 7a_100016288707_100000731011 [0,0,0,1,0,0|3,0,0]=4 3840 B12R1.37 CC/C=C\CCOC1CCSC1 7a_100011232664_100015370543 [0,0,0,1,0,0|3,0,0]=4 3841 B12R1.37 CC/C=C\CCO[C@H]1CCOC1 34a_100000717292_100015370543 [0,0,0,1,0,0|3,0,0]=4 3842 B12R1.37 CC/C=C\CCSC1CCCC1 62a_100011217020_100015370543 [0,0,0,1,0,0|2,0,0]=3 3843 B12R1.37 CC/C=C\CCSC1CCCC1 62a_100015370543_100000179811 [0,0,0,1,0,0|2,0,0]=3 3844 B12R1.37 CC/C=C\CCSC1CCOC1 62a_100015370543_100000690089 [0,0,0,1,0,0|3,0,0]=4 3845 B12R1.37 CC/C=C\CNCC1CCCC1 2230a_100000737975_100103147603 [0,0,0,1,0,0|2,0,0]=3 3846 B12R1.37 CC/C=C\CNCC1CCCC1 34a_100000737975_100103147603 [0,0,0,1,0,0|2,0,0]=3 3847 B12R1.37 CC/C=C\CNCC1CCOC1 2230a_100000737293_100103147603 [0,0,0,1,0,0|3,0,0]=4 3848 B12R1.37 CC/C=C\CNCC1CCOC1 34a_100000737293_100103147603 [0,0,0,1,0,0|3,0,0]=4 3849 B12R1.37 CC/C=C\CNC[C@@H]1CCCO1 2230a_100020590478_100103147603 [0,0,0,1,0,0|3,0,0]=4 3850 B12R1.37 CC/C=C\CNC[C@@H]1CCCO1 34a_100020590478_100103147603 [0,0,0,1,0,0|3,0,0]=4 3851 B12R1.37 CC/C=C\COCC1CCCC1 34a_100000742336_100103147603 [0,0,0,1,0,0|2,0,0]=3 3852 B12R1.37 CC/C=C\COCC1CCCC1 34a_100016268518_100000740388 [0,0,0,1,0,0|2,0,0]=3 3853 B12R1.37 CC/C=C\COCC1CCCC1 7a_100000742336_100103147603 [0,0,0,1,0,0|2,0,0]=3 3854 B12R1.37 CC/C=C\COCC1CCCO1 34a_100000210270_100103147603 [0,0,0,1,0,0|3,0,0]=4 3855 B12R1.37 CC/C=C\COCC1CCCO1 7a_100000210270_100103147603 [0,0,0,1,0,0|3,0,0]=4 3856 B12R1.37 CC/C=C\COCC1CCNC1 34a_100000748654_100103147603 [0,0,0,1,0,0|3,0,0]=4 3857 B12R1.37 CC/C=C\COCC1CCOC1 34a_100000740260_100103147603 [0,0,0,1,0,0|3,0,0]=4 3858 B12R1.37 CC/C=C\COCC1CCOC1 34a_100016268518_100011261433 [0,0,0,1,0,0|3,0,0]=4 3859 B12R1.37 CC/C=C\COC[C@H]1CCCN1 34a_100000745186_100103147603 [0,0,0,1,0,0|3,0,0]=4 3860 B12R1.37 CC/C=C\CSCC1CCCC1 62a_100000740388_100103147603 [0,0,0,1,0,0|2,0,0]=3 3861 B12R1.37 CC/C=C\CSCC1CCCC1 62a_100103147603_100000740388 [0,0,0,1,0,0|2,0,0]=3 3862 B12R1.37 CC/C=C\CSCC1CCCO1 62a_100000203698_100103147603 [0,0,0,1,0,0|3,0,0]=4 3863 B12R1.37 CC/C=C\CSCC1CCCO1 62a_100103147603_100000203698 [0,0,0,1,0,0|3,0,0]=4 3864 B12R1.37 CC/C=C\CSCC1CCOC1 62a_100000702531_100103147603 [0,0,0,1,0,0|3,0,0]=4 3865 B12R1.37 CC/C=C\CSCC1CCOC1 62a_100103147603_100000702531 [0,0,0,1,0,0|3,0,0]=4 3866 B12R1.37 CCCCCCOC1CCCO1 34a_100000085407_100000210314 [0,0,0,1,0,0|1,0,2]=4 3867 B12R1.37 CCCCCCSc1ccco1 62a_100000210314_100009814098 [0,0,0,1,0,0|1,0,2]=4 3868 B12R1.37 CCCCCCSc1ccco1 62a_100009814098_100000210757 [0,0,0,1,0,0|1,0,2]=4 3869 B12R1.37 CCCCCNCC1CCCO1 2230a_100000209983_100000203698 [0,0,0,1,0,0|1,0,2]=4 3870 B12R1.37 CCCCCNCC1OCCO1 2230a_100000036311_100000210326 [0,0,0,1,0,0|2,0,1]=4 3871 B12R1.37 CCCCCNCC1OCCO1 2230a_100000209983_100000755774 [0,0,0,1,0,0|2,0,1]=4 3872 B12R1.37 CCCCCNCC1OCCO1 34a_100000036311_100000718602 [0,0,0,1,0,0|2,0,1]=4 3873 B12R1.37 CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210326 [0,0,0,1,0,0|1,0,2]=4 3874 B12R1.37 CCCCCNC[C@@H]1CCCO1 34a_100020590478_100000718602 [0,0,0,1,0,0|1,0,2]=4 3875 B12R1.37 CCCCCNCc1ccco1 207a_100000209983_100000186105 [0,0,0,1,0,0|1,0,2]=4 3876 B12R1.37 CCCCCNCc1ccco1 2230a_100000185738_100000210326 [0,0,0,1,0,0|1,0,2]=4 3877 B12R1.37 CCCCCNCc1ccco1 270004a_100000209983_100000186105 [0,0,0,1,0,0|1,0,2]=4 3878 B12R1.37 CCCCCNCc1ccco1 34a_100000185738_100000718602 [0,0,0,1,0,0|1,0,2]=4 3879 B12R1.37 CCCCCOCC1CCCO1 34a_100000210270_100000718602 [0,0,0,1,0,0|1,0,2]=4 3880 B12R1.37 CCCCCOCC1CCCO1 7a_100000210253_100000203698 [0,0,0,1,0,0|1,0,2]=4 3881 B12R1.37 CCCCCOCC1CCCO1 7a_100000210270_100000210326 [0,0,0,1,0,0|1,0,2]=4 3882 B12R1.37 CCCCCOCC1COCO1 34a_100011216627_100000718602 [0,0,0,1,0,0|2,0,1]=4 3883 B12R1.37 CCCCCOCC1OCCO1 34a_100000087154_100000718602 [0,0,0,1,0,0|2,0,1]=4 3884 B12R1.37 CCCCCOCC1OCCO1 34a_100000210253_100000755774 [0,0,0,1,0,0|2,0,1]=4 3885 B12R1.37 CCCCCOCC1OCCO1 7a_100000210253_100000755774 [0,0,0,1,0,0|2,0,1]=4 3886 B12R1.37 CCCCCOCc1ccco1 34a_100000210059_100000718602 [0,0,0,1,0,0|1,0,2]=4 3887 B12R1.37 CCCCCOCc1ccno1 34a_100000740478_100000718602 [0,0,0,1,0,0|2,0,1]=4 3888 B12R1.37 CCCCCSCC1CCCO1 62a_100000203698_100000210326 [0,0,0,1,0,0|1,0,2]=4 3889 B12R1.37 CCCCCSCC1CCCO1 62a_100000210326_100000203698 [0,0,0,1,0,0|1,0,2]=4 3890 B12R1.37 CCCCCSCC1OCCO1 62a_100000210326_100000755774 [0,0,0,1,0,0|2,0,1]=4 3891 B12R1.37 CCCCCSCC1OCCO1 62a_100000755774_100000210326 [0,0,0,1,0,0|2,0,1]=4 3892 B12R1.37 CCCCNCCC1OCCO1 2230a_100000034215_100000210211 [0,0,0,1,0,0|2,0,1]=4 3893 B12R1.37 CCCCNCCC1OCCO1 2230a_100000102301_100000740749 [0,0,0,1,0,0|2,0,1]=4 3894 B12R1.37 CCCCNCCC1OCCO1 34a_100000034215_100000210210 [0,0,0,1,0,0|2,0,1]=4 3895 B12R1.37 CCCCNCCC1OCCO1 7a_106832991798_100000740749 [0,0,0,1,0,0|2,0,1]=4 3896 B12R1.37 CCCCNCCc1ccco1 2230a_100000694680_100000210211 [0,0,0,1,0,0|1,0,2]=4 3897 B12R1.37 CCCCNCCc1ccco1 34a_100000694680_100000210210 [0,0,0,1,0,0|1,0,2]=4 3898 B12R1.37 CCCCOCCC1OCCO1 34a_100000210227_100000740749 [0,0,0,1,0,0|2,0,1]=4 3899 B12R1.37 CCCCOCCC1OCCO1 7a_100000210227_100000740749 [0,0,0,1,0,0|2,0,1]=4 3900 B12R1.37 CCCCSCCC1OCCO1 62a_100000210211_100000740749 [0,0,0,1,0,0|2,0,1]=4 3901 B12R1.37 CCCNCCCC1CCCC1 2230a_100000736752_100000210303 [0,0,0,1,0,0|2,0,1]=4 3902 B12R1.37 CCCNCCCC1CCCC1 34a_100000736752_100000210303 [0,0,0,1,0,0|2,0,1]=4 3903 B12R1.37 CCCOCCCC1CCCC1 34a_100000210258_100011713738 [0,0,0,1,0,0|2,0,1]=4 3904 B12R1.37 CCCOCCCC1CCCC1 34a_100011215328_100000210303 [0,0,0,1,0,0|2,0,1]=4 3905 B12R1.37 CCCOCCCC1CCCC1 7a_100011215328_100000210303 [0,0,0,1,0,0|2,0,1]=4 3906 B12R1.37 CCCOCCCC1OCCO1 34a_100000210258_100009861162 [0,0,0,1,0,0|2,0,1]=4 3907 B12R1.37 CCCOCCCC1OCCO1 34a_100009871617_100000210303 [0,0,0,1,0,0|2,0,1]=4 3908 B12R1.37 CCCOCCCC1OCCO1 7a_100009871617_100000210303 [0,0,0,1,0,0|2,0,1]=4 3909 B12R1.37 CCCSCCCC1CCCC1 62a_100000210303_100011713738 [0,0,0,1,0,0|2,0,1]=4 3910 B12R1.37 CCCSCCCC1CCCC1 62a_100011713738_100000210303 [0,0,0,1,0,0|2,0,1]=4 3911 B12R1.37 CCCSCCCC1OCCO1 62a_100000210303_100000042513 [0,0,0,1,0,0|2,0,1]=4 3912 B12R1.37 CCNCCCCC1OCCO1 2230a_100015525214_100000034956 [0,0,0,1,0,0|2,0,1]=4 3913 B12R1.37 CCOCCCCC1OCCO1 34a_100121572206_200009813554 [0,0,0,1,0,0|2,0,1]=4 3914 B12R1.37 CCSCCCCC1OCCO1 62a_100000210202_100000034956 [0,0,0,1,0,0|2,0,1]=4 3915 B12R1.37 FCCNCCCC1CCCC1 2230a_100000736752_100011217306 [0,0,0,1,0,0|2,0,1]=4 3916 B12R1.37 FCCNCCCC1CCCC1 34a_100000724931_100011713738 [0,0,0,1,0,0|2,0,1]=4 3917 B12R1.37 FCCNCCCC1CCCC1 34a_100000736752_100011217306 [0,0,0,1,0,0|2,0,1]=4 3918 B12R1.37 FCCOCCCC1CCCC1 34a_100011215328_100011217306 [0,0,0,1,0,0|2,0,1]=4 3919 B12R1.37 FCCOCCCC1CCCC1 7a_100011215328_100011217306 [0,0,0,1,0,0|2,0,1]=4 3920 B12R1.37 FCCSCCCC1CCCC1 62a_100011217306_100011713738 [0,0,0,1,0,0|2,0,1]=4 3921 B12R1.37 FCCSCCCC1CCCC1 62a_100011713738_100011217306 [0,0,0,1,0,0|2,0,1]=4 3922 B12R1.37 NCCOCCCC1CCCC1 34a_100000210304_100011713738 [0,0,0,1,0,0|2,0,1]=4 3923 B12R1.37 OCC#CCNCC1CCCC1 2230a_100000737975_200000047223 [0,0,0,1,0,0|1,0,2]=4 3924 B12R1.37 OCC#CCNCC1CCCC1 34a_100000737975_200000047223 [0,0,0,1,0,0|1,0,2]=4 3925 B12R1.37 OCC#CCOCC1CCCC1 34a_100000742336_200000047223 [0,0,0,1,0,0|1,0,2]=4 3926 B12R1.37 OCC#CCOCC1CCCC1 7a_100000742336_200000047223 [0,0,0,1,0,0|1,0,2]=4 3927 B12R1.37 OCC#CCSCC1CCCC1 62a_100000740388_200000047223 [0,0,0,1,0,0|1,0,2]=4 3928 B12R1.37 OCC#CCSCC1CCCC1 62a_200000047223_100000740388 [0,0,0,1,0,0|1,0,2]=4 3929 B12R1.37 OCCCCCCN1CCCC1 2230a_100000188435_100000766143 [0,0,0,1,0,0|1,0,2]=4 3930 B12R1.37 OCCCCCCN1CCCC1 269982a_100000188435_100000766143 [0,0,0,1,0,0|1,0,2]=4 3931 B12R1.37 OCCCCCNC1CCCC1 2230a_100000211070_100000746330 [0,0,0,1,0,0|1,0,2]=4 3932 B12R1.37 OCCCCCNC1CCCC1 2230a_100000762737_100000179811 [0,0,0,1,0,0|1,0,2]=4 3933 B12R1.37 OCCCCCNC1CCCC1 270004a_100000762737_100000210133 [0,0,0,1,0,0|1,0,2]=4 3934 B12R1.37 OCCCCCNC1CCCC1 34a_100000211070_100000746330 [0,0,0,1,0,0|1,0,2]=4 3935 B12R1.37 OCCCCCNC1CCCC1 34a_100000762737_100000179811 [0,0,0,1,0,0|1,0,2]=4 3936 B12R1.37 OCCCCCOC1CCCC1 34a_100000210269_100000746330 [0,0,0,1,0,0|1,0,2]=4 3937 B12R1.37 OCCCCCOC1CCCC1 7a_100000210269_100000746330 [0,0,0,1,0,0|1,0,2]=4 3938 B12R1.37 OCCCCCSC1CCCC1 62a_100000746330_100000179811 [0,0,0,1,0,0|1,0,2]=4 3939 B12R1.37 OCCCCCSC1CCCC1 62a_100011217020_100000746330 [0,0,0,1,0,0|1,0,2]=4 3940 B12R1.37 OCCCCNCC1CCCC1 2230a_100000737975_100000210776 [0,0,0,1,0,0|1,0,2]=4 3941 B12R1.37 OCCCCNCC1CCCC1 2230a_100000750430_100000740388 [0,0,0,1,0,0|1,0,2]=4 3942 B12R1.37 OCCCCNCC1CCCC1 269862a_100000750430_100000746403 [0,0,0,1,0,0|1,0,2]=4 3943 B12R1.37 OCCCCNCC1CCCC1 34a_100000737975_100011216708 [0,0,0,1,0,0|1,0,2]=4 3944 B12R1.37 OCCCCNCC1CCCC1 34a_100000750430_100000740388 [0,0,0,1,0,0|1,0,2]=4 3945 B12R1.37 OCCCCOCC1CCCC1 34a_100000742336_100011216708 [0,0,0,1,0,0|1,0,2]=4 3946 B12R1.37 OCCCCOCC1CCCC1 7a_100000742336_100000210776 [0,0,0,1,0,0|1,0,2]=4 3947 B12R1.37 OCCCCSCC1CCCC1 62a_100000210776_100000740388 [0,0,0,1,0,0|1,0,2]=4 3948 B12R1.37 OCCCCSCC1CCCC1 62a_100000740388_100000210776 [0,0,0,1,0,0|1,0,2]=4 3949 B12R1.37 OCCCNCCC1CCCC1 2230a_100000739158_100000230001 [0,0,0,1,0,0|1,0,2]=4 3950 B12R1.37 OCCCNCCC1CCCC1 34a_100000739158_100000230001 [0,0,0,1,0,0|1,0,2]=4 3951 B12R1.37 OCCCOCCC1CCCC1 34a_100000749090_100000230001 [0,0,0,1,0,0|1,0,2]=4 3952 B12R1.37 OCCCOCCC1CCCC1 7a_100000749090_100011215043 [0,0,0,1,0,0|1,0,2]=4 3953 B12R1.37 OCCCSCCC1CCCC1 62a_100000760354_100011215043 [0,0,0,1,0,0|1,0,2]=4 3954 B12R1.37 OCCCSCCC1CCCC1 62a_100011215043_100000760354 [0,0,0,1,0,0|1,0,2]=4 3955 B12R1.37 OCCNCCCC1CCCC1 2230a_100000736752_100000211926 [0,0,0,1,0,0|1,0,1]=3 3956 B12R1.37 OCCNCCCC1CCCC1 2230a_100016997473_100011713738 [0,0,0,1,0,0|1,0,1]=3 3957 B12R1.37 OCCNCCCC1CCCC1 34a_100000736752_100000211926 [0,0,0,1,0,0|1,0,1]=3 3958 B12R1.37 OCCNCCCC1CCCC1 34a_100016990907_100011713738 [0,0,0,1,0,0|1,0,1]=3 3959 B12R1.37 OCCNCCCN1CCCC1 2230a_100016997473_100011445909 [0,0,0,1,0,0|2,0,1]=4 3960 B12R1.37 OCCNCCCN1CCCC1 34a_100016990907_100016991639 [0,0,0,1,0,0|2,0,1]=4 3961 B12R1.37 OCCNCCOC1CCCC1 34a_100000741755_100000211926 [0,0,0,1,0,0|2,0,1]=4 3962 B12R1.37 OCCOCCCC1CCCC1 34a_100011215328_100000211926 [0,0,0,1,0,0|1,0,1]=3 3963 B12R1.37 OCCOCCCC1CCCC1 7a_100011215328_100000211926 [0,0,0,1,0,0|1,0,1]=3 3964 B12R1.37 OCCOCCNC1CCCC1 2230a_100000211070_100011215305 [0,0,0,1,0,0|2,0,1]=4 3965 B12R1.37 OCCOCCNC1CCCC1 2230a_100000211614_100000179811 [0,0,0,1,0,0|2,0,1]=4 3966 B12R1.37 OCCOCCNC1CCCC1 270004a_100000211614_100000210133 [0,0,0,1,0,0|2,0,1]=4 3967 B12R1.37 OCCOCCNC1CCCC1 34a_100000211070_100000692535 [0,0,0,1,0,0|2,0,1]=4 3968 B12R1.37 OCCOCCNC1CCCC1 34a_100000211614_100000179811 [0,0,0,1,0,0|2,0,1]=4 3969 B12R1.37 OCCOCCNC1CCCC1 34a_200000200444_100000211926 [0,0,0,1,0,0|2,0,1]=4 3970 B12R1.37 OCCOCCOC1CCCC1 34a_100000210269_100000692535 [0,0,0,1,0,0|2,0,1]=4 3971 B12R1.37 OCCOCCOC1CCCC1 34a_100000738311_100000211926 [0,0,0,1,0,0|2,0,1]=4 3972 B12R1.37 OCCOCCOC1CCCC1 7a_100000210269_100011215305 [0,0,0,1,0,0|2,0,1]=4 3973 B12R1.37 OCCOCCOC1CCCC1 7a_100000738311_100000211926 [0,0,0,1,0,0|2,0,1]=4 3974 B12R1.37 OCCOCCSC1CCCC1 62a_100011215305_100000179811 [0,0,0,1,0,0|2,0,1]=4 3975 B12R1.37 OCCOCCSC1CCCC1 62a_100011217020_100011215305 [0,0,0,1,0,0|2,0,1]=4 3976 B12R1.37 OCCSCCCC1CCCC1 62a_100000211926_100011713738 [0,0,0,1,0,0|1,0,1]=3 3977 B12R1.37 OCCSCCCC1CCCC1 62a_100011713738_100000211926 [0,0,0,1,0,0|1,0,1]=3 3978 B12R1.37 OCCSCCCN1CCCC1 62a_100000211926_100011445909 [0,0,0,1,0,0|2,0,1]=4 3979 B12R1.37 OCCSCCCN1CCCC1 62a_100016991639_100000211926 [0,0,0,1,0,0|2,0,1]=4 3980 B12R1.37 OCCSCCNC1CCCC1 2230a_100011219999_100000179811 [0,0,0,1,0,0|2,0,1]=4 3981 B12R1.37 OCCSCCNC1CCCC1 270004a_100011219999_100000210133 [0,0,0,1,0,0|2,0,1]=4 3982 B12R1.45 CC/C=C\CN1CCCC1CC 2230a_100000754278_100103147603 [0,0,0,1,0,0|2,0,0]=3 3983 B12R1.45 CC/C=C\CN1CCCC1CC 269982a_100000754278_100103147603 [0,0,0,1,0,0|2,0,0]=3 3984 B12R1.45 CC/C=C\CN1CCCC1CC 34a_100000754278_100103147603 [0,0,0,1,0,0|2,0,0]=3 3985 B12R1.45 CC/C=C\CN1CCC[C@@H]1CO 2230a_100000745186_100103147603 [0,0,0,1,0,0|3,0,0]=4 3986 B12R1.45 CC/C=C\CN1CCC[C@@H]1CO 269982a_100000745186_100103147603 [0,0,0,1,0,0|3,0,0]=4 3987 B12R1.45 CC/C=C\CN1CCC[C@@H]1CO 34a_100000745186_100103147603 [0,0,0,1,0,0|3,0,0]=4 3988 B12R1.45 CCC1CCCC1NCCCO 269862a_100000182051_100000749056 [0,0,0,1,0,0|1,0,2]=4 3989 B12R1.45 CCC1CCCC1NCCCO 270004a_100000182051_100000749056 [0,0,0,1,0,0|1,0,2]=4 3990 B12R1.45 CCC1CCCN1CC#CCO 2230a_100000754278_200000047223 [0,0,0,1,0,0|1,0,2]=4 3991 B12R1.45 CCC1CCCN1CC#CCO 34a_100000754278_200000047223 [0,0,0,1,0,0|1,0,2]=4 3992 B12R1.45 CCC1CCCN1CCCCO 2230a_100000754278_100000210776 [0,0,0,1,0,0|1,0,2]=4 3993 B12R1.45 CCC1CCCN1CCCCO 269982a_100000754278_100000210776 [0,0,0,1,0,0|1,0,2]=4 3994 B12R1.45 CCC1CCCN1CCCCO 34a_100000754278_100011216708 [0,0,0,1,0,0|1,0,2]=4 3995 B12R1.45 CCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210326 [0,0,0,1,0,0|1,0,2]=4 3996 B12R1.45 CCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210215 [0,0,0,1,0,0|1,0,2]=4 3997 B12R1.45 CCCCCN1CCC[C@@H]1CO 34a_100000745186_100000718602 [0,0,0,1,0,0|1,0,2]=4 3998 B12R1.45 CCCNN=C1CCC=C1CO 4a_100000740057_100000087531 [0,0,0,1,0,0|2,0,1]=4 3999 B12R1.45 CCN1CCCC1CNCCO 2230a_100000211693_100000211926 [0,0,0,1,0,0|2,0,1]=4 4000 B12R1.45 CCN1CCC[C@@H]1COCCO 34a_100011739246_100000211926 [0,0,0,1,0,0|2,0,1]=4 4001 B12R1.45 CCN1CCC[C@@H]1COCCO 7a_100011739246_100000211926 [0,0,0,1,0,0|2,0,1]=4 4002 B12R1.121 CCC1CCCCC1NCCF 269862a_100000724931_100000757040 [0,0,0,1,0,0|2,0,1]=4 4003 B12R1.121 CCC1CCCCC1NCCO 269862a_100000210304_100000757040 [0,0,0,1,0,0|1,0,1]=3 4004 B12R1.121 CCC1CCCCC1NCCO 270004a_100000210304_100000757040 [0,0,0,1,0,0|1,0,1]=3 4005 B12R1.121 CCC1CCCCC1OCCF 34a_100000210738_100011217306 [0,0,0,1,0,0|2,0,1]=4 4006 B12R1.121 CCC1CCCCC1OCCF 7a_100000210738_100011217306 [0,0,0,1,0,0|2,0,1]=4 4007 B12R1.121 CCC1CCCCC1OCCO 34a_100000210738_100000211926 [0,0,0,1,0,0|1,0,1]=3 4008 B12R1.121 CCC1CCCCC1OCCO 7a_100000210738_100000211926 [0,0,0,1,0,0|1,0,1]=3 4009 B12R1.121 CCC1CCCCN1CCCO 2230a_100000210034_100000230001 [0,0,0,1,0,0|1,0,2]=4 4010 B12R1.121 CCC1CCCCN1CCCO 269982a_100000210034_100011215043 [0,0,0,1,0,0|1,0,2]=4 4011 B12R1.121 CCC1CCCCN1CCCO 34a_100000210034_100000230001 [0,0,0,1,0,0|1,0,2]=4 4012 B12R1.121 CCCCN1CCCCC1CO 2230a_100000210821_100000210211 [0,0,0,1,0,0|1,0,2]=4 4013 B12R1.121 CCCCN1CCCCC1CO 269982a_100000210821_100000210211 [0,0,0,1,0,0|1,0,2]=4 4014 B12R1.121 CCCCN1CCCCC1CO 34a_100000210821_100000210210 [0,0,0,1,0,0|1,0,2]=4 4015 B12R1.121 CCCNC1CCCCC1CC 269862a_100020643023_100000757040 [0,0,0,1,0,0|2,0,1]=4 4016 B12R1.121 CCCNC1CCCCC1CC 270004a_100020643023_100000757040 [0,0,0,1,0,0|2,0,1]=4 4017 B12R1.121 CCCNC1CCCCC1CO 270004a_100020643023_100009861125 [0,0,0,1,0,0|1,0,2]=4 4018 B12R1.121 CCCOC1CCCCC1CC 34a_100000210738_100000210303 [0,0,0,1,0,0|2,0,1]=4 4019 B12R1.121 CCCOC1CCCCC1CC 7a_100000210738_100000210303 [0,0,0,1,0,0|2,0,1]=4 4020 B12R1.121 CCN1CCCCC1CCCO 2230a_100011934581_100000210202 [0,0,0,1,0,0|1,0,2]=4 4021 B12R1.121 CCN1CCCCC1CCCO 269982a_100011934581_100000204670 [0,0,0,1,0,0|1,0,2]=4 4022 B12R1.121 CCN1CCCCC1CCCO 34a_100011934581_100000210202 [0,0,0,1,0,0|1,0,2]=4 4023 B12R1.121 CN[C@@H]1CCCC[C@H]1OCCO 34a_100000708425_100000211926 [0,0,0,1,0,0|2,0,1]=4 4024 B12R1.121 COC1CCCCC1NCCO 270004a_100000210304_100000740605 [0,0,0,1,0,0|2,0,1]=4 4025 B12R1.121 COC1CCCCC1NCCO 34a_100011208099_100000211926 [0,0,0,1,0,0|2,0,1]=4 4026 B12R1.121 CO[C@H]1CCCC[C@@H]1OCCO 34a_200009815850_100000211926 [0,0,0,1,0,0|2,0,1]=4 4027 B12R1.121 CO[C@H]1CCCC[C@@H]1OCCO 7a_200009815850_100000211926 [0,0,0,1,0,0|2,0,1]=4 4028 B12R1.121 NCC1CCCCC1OCCO 34a_100011216029_100000211926 [0,0,0,1,0,0|2,0,1]=4 4029 B12R1.121 OCCNC1CCCCC1CO 270004a_100000210304_100009861125 [0,0,0,1,0,0|2,0,1]=4 4030 B12R1.169 CCCC1CCCCC1NCC 269862a_100015525214_100011218038 [0,0,0,1,0,0|2,0,1]=4 4031 B12R1.169 CCCC1CCCCC1NCC 270004a_100015525214_100011218038 [0,0,0,1,0,0|2,0,1]=4 4032 B12R1.169 CCCC1CCCCC1OCC 34a_100011217265_100000210202 [0,0,0,1,0,0|2,0,1]=4 4033 B12R1.169 CCCC1CCCCC1OCC 7a_100011217265_100000210202 [0,0,0,1,0,0|2,0,1]=4 4034 B12R1.169 CCCC1CCCCC1OCF 34a_100011217265_100015361967 [0,0,0,1,0,0|2,0,1]=4 4035 B12R1.169 CCCC1CCCCC1OCF 7a_100011217265_100015361967 [0,0,0,1,0,0|2,0,1]=4 4036 B12R1.169 CCCC1CCCCN1CCC 2230a_100000701414_100000210303 [0,0,0,1,0,0|2,0,1]=4 4037 B12R1.169 CCCC1CCCCN1CCC 269982a_100000701414_100000210303 [0,0,0,1,0,0|2,0,1]=4 4038 B12R1.169 CCCC1CCCCN1CCC 34a_100000701414_100000210303 [0,0,0,1,0,0|2,0,1]=4 4039 B12R1.169 CCCC1CCCCN1CCF 2230a_100000701414_100011217306 [0,0,0,1,0,0|2,0,1]=4 4040 B12R1.169 CCCC1CCCCN1CCF 269982a_100000701414_100011217306 [0,0,0,1,0,0|2,0,1]=4 4041 B12R1.169 CCCC1CCCCN1CCF 34a_100000701414_100011217306 [0,0,0,1,0,0|2,0,1]=4 4042 B12R1.169 CCCC1CCCCN1CCO 2230a_100000701414_100000211926 [0,0,0,1,0,0|1,0,1]=3 4043 B12R1.169 CCCC1CCCCN1CCO 269982a_100000701414_100000211926 [0,0,0,1,0,0|1,0,1]=3 4044 B12R1.169 CCCC1CCCCN1CCO 34a_100000701414_100000211926 [0,0,0,1,0,0|1,0,1]=3 4045 B12R1.169 CCCC1COCCN1CCO 2230a_102495339903_100000211926 [0,0,0,1,0,0|2,0,1]=4 4046 B12R1.169 CCCC1COCCN1CCO 269982a_102495339903_100000211926 [0,0,0,1,0,0|2,0,1]=4 4047 B12R1.169 CCCC1COCCN1CCO 34a_102495339903_100000211926 [0,0,0,1,0,0|2,0,1]=4 4048 B12R1.169 CCCN1CCCCC1CCO 2230a_100000211664_100000210303 [0,0,0,1,0,0|1,0,2]=4 4049 B12R1.169 CCCN1CCCCC1CCO 269982a_100000211664_100000210303 [0,0,0,1,0,0|1,0,2]=4 4050 B12R1.169 CCCN1CCCCC1CCO 34a_100000211664_100000210303 [0,0,0,1,0,0|1,0,2]=4 4051 B12R1.169 COCC1CCCCN1CCO 2230a_100015184032_100000211926 [0,0,0,1,0,0|2,0,1]=4 4052 B12R1.169 COCC1CCCCN1CCO 269982a_100015184032_100000211926 [0,0,0,1,0,0|2,0,1]=4 4053 B12R1.169 COCC1CCCCN1CCO 34a_100015184032_100000211926 [0,0,0,1,0,0|2,0,1]=4 4054 B12R1.169 OCCC1CCCCN1CCO 2230a_100000211664_100000211926 [0,0,0,1,0,0|2,0,1]=4 4055 B12R1.169 OCCC1CCCCN1CCO 269982a_100000211664_100000211926 [0,0,0,1,0,0|2,0,1]=4 4056 B12R1.169 OCCC1CCCCN1CCO 34a_100000211664_100000211926 [0,0,0,1,0,0|2,0,1]=4 4057 B12R1.173 CCCN1CCCCCCCC1 2230a_100000039187_100000210303 [0,0,0,1,0,0|2,0,1]=4 4058 B12R1.173 CCCN1CCCCCCCC1 269982a_100000039187_100000210303 [0,0,0,1,0,0|2,0,1]=4 4059 B12R1.173 CCCN1CCCCCCCC1 34a_100000039187_100000210303 [0,0,0,1,0,0|2,0,1]=4 4060 B12R1.173 CCNC1CCCCCCCC1 270004a_100015525214_100000038600 [0,0,0,1,0,0|2,0,1]=4 4061 B12R1.173 FCCN1CCCCCCCC1 2230a_100000039187_100011217306 [0,0,0,1,0,0|2,0,1]=4 4062 B12R1.173 FCCN1CCCCCCCC1 269982a_100000039187_100011217306 [0,0,0,1,0,0|2,0,1]=4 4063 B12R1.173 FCCN1CCCCCCCC1 34a_100000039187_100011217306 [0,0,0,1,0,0|2,0,1]=4 4064 B12R1.173 OCCN1CCCCCCCC1 2230a_100000039187_100000211926 [0,0,0,1,0,0|1,0,1]=3 4065 B12R1.173 OCCN1CCCCCCCC1 269982a_100000039187_100000211926 [0,0,0,1,0,0|1,0,1]=3 4066 B12R1.173 OCCN1CCCCCCCC1 34a_100000039187_100000211926 [0,0,0,1,0,0|1,0,1]=3 4067 B12R1.267 CC/C=C\CN1CCCCC1C 2230a_100000211376_100103147603 [0,0,0,1,0,0|2,0,0]=3 4068 B12R1.267 CC/C=C\CN1CCCCC1C 269982a_100000211376_100103147603 [0,0,0,1,0,0|2,0,0]=3 4069 B12R1.267 CC/C=C\CN1CCCCC1C 34a_100000211376_100103147603 [0,0,0,1,0,0|2,0,0]=3 4070 B12R1.267 CC/C=C\CN1CCOC[C@@H]1C 2230a_100009815349_100103147603 [0,0,0,1,0,0|3,0,0]=4 4071 B12R1.267 CC/C=C\CN1CCOC[C@@H]1C 269982a_100009815349_100103147603 [0,0,0,1,0,0|3,0,0]=4 4072 B12R1.267 CC/C=C\CN1CCOC[C@@H]1C 34a_100009815349_100103147603 [0,0,0,1,0,0|3,0,0]=4 4073 B12R1.267 CC1CCCCC1NCCCO 2230a_100000211402_100000230001 [0,0,0,1,0,0|1,0,2]=4 4074 B12R1.267 CC1CCCCC1NCCCO 269862a_100000182051_100000210921 [0,0,0,1,0,0|1,0,2]=4 4075 B12R1.267 CC1CCCCC1NCCCO 270004a_100000182051_100000210921 [0,0,0,1,0,0|1,0,2]=4 4076 B12R1.267 CC1CCCCC1NCCCO 34a_100000211402_100000230001 [0,0,0,1,0,0|1,0,2]=4 4077 B12R1.267 CC1CCCCC1OCCCO 34a_100000211207_100000230001 [0,0,0,1,0,0|1,0,2]=4 4078 B12R1.267 CC1CCCCC1OCCCO 7a_100000211207_100011215043 [0,0,0,1,0,0|1,0,2]=4 4079 B12R1.267 CC1CCCCN1CC#CCO 2230a_100000211376_200000047223 [0,0,0,1,0,0|1,0,2]=4 4080 B12R1.267 CC1CCCCN1CC#CCO 34a_100000211376_200000047223 [0,0,0,1,0,0|1,0,2]=4 4081 B12R1.267 CC1CCCCN1CCCCO 2230a_100000211376_100000210776 [0,0,0,1,0,0|1,0,2]=4 4082 B12R1.267 CC1CCCCN1CCCCO 269982a_100000211376_100000210776 [0,0,0,1,0,0|1,0,2]=4 4083 B12R1.267 CC1CCCCN1CCCCO 34a_100000211376_100011216708 [0,0,0,1,0,0|1,0,2]=4 4084 B12R1.267 CCCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210211 [0,0,0,1,0,0|2,0,1]=4 4085 B12R1.267 CCCCOC1CCCCC1O 34a_100000210227_100000038908 [0,0,0,1,0,0|1,0,2]=4 4086 B12R1.267 CCCCSC1CCCCC1O 62a_100000038908_100000210210 [0,0,0,1,0,0|1,0,2]=4 4087 B12R1.267 CCCCSC1CCCCC1O 62a_100000210211_100000038908 [0,0,0,1,0,0|1,0,2]=4 4088 B12R1.267 CCCNCC1CCCCC1O 34a_100011216029_100000210303 [0,0,0,1,0,0|1,0,2]=4 4089 B12R1.267 CN1CCCCC1CNCCO 34a_100011228421_100000211926 [0,0,0,1,0,0|2,0,1]=4 4090 B12R1.267 CN1CCCCC1CNCCO 34a_100016990907_100015186950 [0,0,0,1,0,0|2,0,1]=4 4091 B12R1.267 CN1CCCCC1COCCO 34a_100000225079_100000211926 [0,0,0,1,0,0|2,0,1]=4 4092 B12R1.267 CN1CCCCC1CSCCO 62a_100000211926_100015185383 [0,0,0,1,0,0|2,0,1]=4 4093 B12R1.267 CN1CCCCC1CSCCO 62a_100015185383_100000211926 [0,0,0,1,0,0|2,0,1]=4 4094 B12R1.267 OCCNCC1CCCCC1O 34a_100011216029_100000211926 [0,0,0,1,0,0|2,0,1]=4 4095 B12R1.271 CC/C=C\CCOCC1CC1C 34a_100000744939_100015370543 [0,0,0,1,0,0|2,0,0]=3 4096 B12R1.271 CC/C=C\CCOCC1CC1C 7a_100000744939_100015370543 [0,0,0,1,0,0|2,0,0]=3 4097 B12R1.271 CC1CC1COCCCCCO 34a_100000744939_100000746330 [0,0,0,1,0,0|1,0,2]=4 4098 B12R1.271 CC1CC1COCCCCCO 7a_100000744939_100000746330 [0,0,0,1,0,0|1,0,2]=4 4099 B12R1.271 CC1CC1COCCOCCO 34a_100000744939_100000692535 [0,0,0,1,0,0|2,0,1]=4 4100 B12R1.271 CC1CC1COCCOCCO 7a_100000744939_100011215305 [0,0,0,1,0,0|2,0,1]=4 4101 B12R1.272 CC/C=C/CCCOC1CCC1 34a_100016287902_100000749161 [0,0,0,1,0,0|2,0,0]=3 4102 B12R1.272 CC/C=C/CCCOC1COC1 34a_100016287902_100009818527 [0,0,0,1,0,0|3,0,0]=4 4103 B12R1.272 CC/C=C/CCCOC1COC1 7a_100016287902_100009818527 [0,0,0,1,0,0|3,0,0]=4 4104 B12R1.272 CC/C=C\CCNCC1CCC1 2230a_100000738700_100015370543 [0,0,0,1,0,0|2,0,0]=3 4105 B12R1.272 CC/C=C\CCNCC1CCC1 34a_100000738700_100015370543 [0,0,0,1,0,0|2,0,0]=3 4106 B12R1.272 CC/C=C\CCNCC1COC1 2230a_100015281925_100015370543 [0,0,0,1,0,0|3,0,0]=4 4107 B12R1.272 CC/C=C\CCNCC1COC1 34a_100015281925_100015370543 [0,0,0,1,0,0|3,0,0]=4 4108 B12R1.272 CC/C=C\CCNC[C@@H]1CCO1 2230a_100020831831_100015370543 [0,0,0,1,0,0|3,0,0]=4 4109 B12R1.272 CC/C=C\CCNC[C@@H]1CCO1 34a_100020831831_100015370543 [0,0,0,1,0,0|3,0,0]=4 4110 B12R1.272 CC/C=C\CCOCC1CCC1 34a_100000760304_100015370543 [0,0,0,1,0,0|2,0,0]=3 4111 B12R1.272 CC/C=C\CCOCC1CCC1 34a_100016288707_100000763275 [0,0,0,1,0,0|2,0,0]=3 4112 B12R1.272 CC/C=C\CCOCC1CCC1 7a_100016288707_100000763275 [0,0,0,1,0,0|2,0,0]=3 4113 B12R1.272 CC/C=C\CCOCC1CCO1 34a_100000039022_100015370543 [0,0,0,1,0,0|3,0,0]=4 4114 B12R1.272 CC/C=C\CCOCC1CCO1 34a_100016288707_100000103362 [0,0,0,1,0,0|3,0,0]=4 4115 B12R1.272 CC/C=C\CCOCC1CCO1 7a_100016288707_100000103362 [0,0,0,1,0,0|3,0,0]=4 4116 B12R1.272 CC/C=C\CCOCC1CNC1 34a_100016987283_100015370543 [0,0,0,1,0,0|3,0,0]=4 4117 B12R1.272 CC/C=C\CCOCC1COC1 34a_100000060846_100015370543 [0,0,0,1,0,0|3,0,0]=4 4118 B12R1.272 CC/C=C\CCOCC1COC1 34a_100016288707_100010264016 [0,0,0,1,0,0|3,0,0]=4 4119 B12R1.272 CC/C=C\CCOCC1COC1 7a_100016288707_100010264016 [0,0,0,1,0,0|3,0,0]=4 4120 B12R1.272 CC/C=C\CCSCC1CCC1 62a_100000763275_100015370543 [0,0,0,1,0,0|2,0,0]=3 4121 B12R1.272 CC/C=C\CCSCC1CCC1 62a_100015370543_100000763275 [0,0,0,1,0,0|2,0,0]=3 4122 B12R1.272 CC/C=C\CCSCC1CCO1 62a_100000103362_100015370543 [0,0,0,1,0,0|3,0,0]=4 4123 B12R1.272 CC/C=C\CCSCC1CCO1 62a_100015370543_100000103362 [0,0,0,1,0,0|3,0,0]=4 4124 B12R1.272 CC/C=C\CCSCC1COC1 62a_100010264016_100015370543 [0,0,0,1,0,0|3,0,0]=4 4125 B12R1.272 CC/C=C\CCSCC1COC1 62a_100015370543_100010264016 [0,0,0,1,0,0|3,0,0]=4 4126 B12R1.272 CC/C=C\COCCC1COC1 34a_100009855314_100103147603 [0,0,0,1,0,0|3,0,0]=4 4127 B12R1.272 CCCCCCCCN1CCC1 269982a_100000754969_100000210759 [0,0,0,1,0,0|2,0,1]=4 4128 B12R1.272 CCCCCCNCC1CCO1 2230a_100000210581_100000103362 [0,0,0,1,0,0|1,0,2]=4 4129 B12R1.272 CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210314 [0,0,0,1,0,0|1,0,2]=4 4130 B12R1.272 CCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210314 [0,0,0,1,0,0|1,0,2]=4 4131 B12R1.272 CCCCCCOCC1CCO1 34a_100000039022_100000210314 [0,0,0,1,0,0|1,0,2]=4 4132 B12R1.272 CCCCCCOCC1CCO1 34a_100000210259_100000103362 [0,0,0,1,0,0|1,0,2]=4 4133 B12R1.272 CCCCCCOCC1CCO1 7a_100000210259_100000103362 [0,0,0,1,0,0|1,0,2]=4 4134 B12R1.272 CCCCCCSCC1CCO1 62a_100000103362_100000210757 [0,0,0,1,0,0|1,0,2]=4 4135 B12R1.272 CCCCCCSCC1CCO1 62a_100000210314_100000103362 [0,0,0,1,0,0|1,0,2]=4 4136 B12R1.272 OCCCCCCCN1CCC1 269982a_100000754969_100000760002 [0,0,0,1,0,0|1,0,2]=4 4137 B12R1.272 OCCCCCCNC1CCC1 2230a_100000749019_100000766143 [0,0,0,1,0,0|1,0,2]=4 4138 B12R1.272 OCCCCCCNC1CCC1 270004a_100000686447_100000241760 [0,0,0,1,0,0|1,0,2]=4 4139 B12R1.272 OCCCCCCNC1CCC1 34a_100000686447_100000749161 [0,0,0,1,0,0|1,0,2]=4 4140 B12R1.272 OCCCCCCNC1CCC1 34a_100000749019_100000766143 [0,0,0,1,0,0|1,0,2]=4 4141 B12R1.272 OCCCCCCOC1CCC1 34a_100000748187_100000766143 [0,0,0,1,0,0|1,0,2]=4 4142 B12R1.272 OCCCCCCSC1CCC1 62a_100000766143_100000749161 [0,0,0,1,0,0|1,0,2]=4 4143 B12R1.272 OCCCCCNCC1CCC1 2230a_100000738700_100000746330 [0,0,0,1,0,0|1,0,2]=4 4144 B12R1.272 OCCCCCNCC1CCC1 2230a_100000762737_100000763275 [0,0,0,1,0,0|1,0,2]=4 4145 B12R1.272 OCCCCCNCC1CCC1 269862a_100000762737_100000753134 [0,0,0,1,0,0|1,0,2]=4 4146 B12R1.272 OCCCCCNCC1CCC1 34a_100000738700_100000746330 [0,0,0,1,0,0|1,0,2]=4 4147 B12R1.272 OCCCCCNCC1CCC1 34a_100000762737_100000763275 [0,0,0,1,0,0|1,0,2]=4 4148 B12R1.272 OCCCCCOCC1CCC1 34a_100000760304_100000746330 [0,0,0,1,0,0|1,0,2]=4 4149 B12R1.272 OCCCCCSCC1CCC1 62a_100000746330_100000763275 [0,0,0,1,0,0|1,0,2]=4 4150 B12R1.272 OCCCCCSCC1CCC1 62a_100000763275_100000746330 [0,0,0,1,0,0|1,0,2]=4 4151 B12R1.272 OCCOCCNCC1CCC1 2230a_100000211614_100000763275 [0,0,0,1,0,0|2,0,1]=4 4152 B12R1.272 OCCOCCNCC1CCC1 2230a_100000738700_100011215305 [0,0,0,1,0,0|2,0,1]=4 4153 B12R1.272 OCCOCCNCC1CCC1 269862a_100000211614_100000753134 [0,0,0,1,0,0|2,0,1]=4 4154 B12R1.272 OCCOCCNCC1CCC1 34a_100000211614_100000763275 [0,0,0,1,0,0|2,0,1]=4 4155 B12R1.272 OCCOCCNCC1CCC1 34a_100000738700_100000692535 [0,0,0,1,0,0|2,0,1]=4 4156 B12R1.272 OCCOCCOCC1CCC1 34a_100000760304_100000692535 [0,0,0,1,0,0|2,0,1]=4 4157 B12R1.272 OCCOCCSCC1CCC1 62a_100000763275_100011215305 [0,0,0,1,0,0|2,0,1]=4 4158 B12R1.272 OCCOCCSCC1CCC1 62a_100011215305_100000763275 [0,0,0,1,0,0|2,0,1]=4 4159 B12R1.272 OCCSCCNCC1CCC1 2230a_100011219999_100000763275 [0,0,0,1,0,0|2,0,1]=4 4160 B12R1.272 OCCSCCNCC1CCC1 269862a_100011219999_100000753134 [0,0,0,1,0,0|2,0,1]=4 4161 B12R1.320 CCCC1CCCC1NCCF 269862a_100000724931_100000723119 [0,0,0,1,0,0|2,0,1]=4 4162 B12R1.320 CCCC1CCCC1NCCO 269862a_100000210304_100000723119 [0,0,0,1,0,0|1,0,1]=3 4163 B12R1.320 CCCC1CCCC1NCCO 270004a_100000210304_100000723119 [0,0,0,1,0,0|1,0,1]=3 4164 B12R1.320 CCCCC1CCCC1NCC 269862a_100015525214_100000750825 [0,0,0,1,0,0|2,0,1]=4 4165 B12R1.320 CCCCC1CCCC1NCC 270004a_100015525214_100000750825 [0,0,0,1,0,0|2,0,1]=4 4166 B12R1.320 CCCNC1CCCC1CCC 269862a_100020643023_100000723119 [0,0,0,1,0,0|2,0,1]=4 4167 B12R1.320 CCCNC1CCCC1CCC 270004a_100020643023_100000723119 [0,0,0,1,0,0|2,0,1]=4 4168 B12R1.329 BrCCOC1CC/C=C\CCC1 34a_100000211926_100021000466 [0,0,0,1,0,0|3,0,0]=4 4169 B12R1.329 CCCNC1CCCCCCC1 2230a_100000211152_100000210303 [0,0,0,1,0,0|2,0,1]=4 4170 B12R1.329 CCCNC1CCCCCCC1 270004a_100020643023_100000210524 [0,0,0,1,0,0|2,0,1]=4 4171 B12R1.329 CCCNC1CCCCCCC1 34a_100000211152_100000210303 [0,0,0,1,0,0|2,0,1]=4 4172 B12R1.329 CCCOC1CC/C=C\CCC1 34a_100000210258_100021000466 [0,0,0,1,0,0|2,0,0]=3 4173 B12R1.329 CCCOC1CC/C=C\CCC1 34a_100016989180_100000210303 [0,0,0,1,0,0|2,0,0]=3 4174 B12R1.329 CCCOC1CCCCCCC1 34a_100000210054_100000210303 [0,0,0,1,0,0|2,0,1]=4 4175 B12R1.329 CCCOC1CCCCCCC1 7a_100000210054_100000210303 [0,0,0,1,0,0|2,0,1]=4 4176 B12R1.329 CCCSC1CC/C=C\CCC1 62a_100000210303_100021000466 [0,0,0,1,0,0|2,0,0]=3 4177 B12R1.329 CCCSC1CC/C=C\CCC1 62a_100021000466_100000210303 [0,0,0,1,0,0|2,0,0]=3 4178 B12R1.329 CCNCC1CC/C=C\CCC1 2230a_100102730862_100000210202 [0,0,0,1,0,0|2,0,0]=3 4179 B12R1.329 CCNCC1CC/C=C\CCC1 34a_100102730862_100000210202 [0,0,0,1,0,0|2,0,0]=3 4180 B12R1.329 CCOCC1CCCCCCC1 34a_100011216312_100000210202 [0,0,0,1,0,0|2,0,1]=4 4181 B12R1.329 CCOCC1CCCCCCC1 7a_100011216312_100000210202 [0,0,0,1,0,0|2,0,1]=4 4182 B12R1.329 COCSC1CC/C=C\CCC1 62a_100000766300_100021000466 [0,0,0,1,0,0|3,0,0]=4 4183 B12R1.329 COCSC1CC/C=C\CCC1 62a_100021000466_100000766300 [0,0,0,1,0,0|3,0,0]=4 4184 B12R1.329 CSCOC1CC/C=C\CCC1 34a_100016989180_100011218213 [0,0,0,1,0,0|3,0,0]=4 4185 B12R1.329 CSCSC1CC/C=C\CCC1 62a_100011218213_100021000466 [0,0,0,1,0,0|3,0,0]=4 4186 B12R1.329 CSCSC1CC/C=C\CCC1 62a_100021000466_100011218213 [0,0,0,1,0,0|3,0,0]=4 4187 B12R1.329 FCCNC1CC/C=C\CCC1 34a_100000724931_100021000466 [0,0,0,1,0,0|3,0,0]=4 4188 B12R1.329 FCCNC1CCCCCCC1 2230a_100000211152_100011217306 [0,0,0,1,0,0|2,0,1]=4 4189 B12R1.329 FCCNC1CCCCCCC1 34a_100000211152_100011217306 [0,0,0,1,0,0|2,0,1]=4 4190 B12R1.329 FCCOC1CC/C=C\CCC1 34a_100016989180_100011217306 [0,0,0,1,0,0|3,0,0]=4 4191 B12R1.329 FCCOC1CCCCCCC1 34a_100000210054_100011217306 [0,0,0,1,0,0|2,0,1]=4 4192 B12R1.329 FCCOC1CCCCCCC1 7a_100000210054_100011217306 [0,0,0,1,0,0|2,0,1]=4 4193 B12R1.329 FCCSC1CC/C=C\CCC1 62a_100011217306_100021000466 [0,0,0,1,0,0|3,0,0]=4 4194 B12R1.329 FCCSC1CC/C=C\CCC1 62a_100021000466_100011217306 [0,0,0,1,0,0|3,0,0]=4 4195 B12R1.329 FCNCC1CC/C=C\CCC1 34a_100102730862_100015361967 [0,0,0,1,0,0|3,0,0]=4 4196 B12R1.329 FCOCC1CCCCCCC1 34a_100011216312_100015361967 [0,0,0,1,0,0|2,0,1]=4 4197 B12R1.329 FCOCC1CCCCCCC1 7a_100011216312_100015361967 [0,0,0,1,0,0|2,0,1]=4 4198 B12R1.329 NCCOC1CC/C=C\CCC1 34a_100000210304_100021000466 [0,0,0,1,0,0|3,0,0]=4 4199 B12R1.329 OCCCN1CCCCCCC1 2230a_100000211400_100000230001 [0,0,0,1,0,0|1,0,2]=4 4200 B12R1.329 OCCCN1CCCCCCC1 269982a_100000211400_100011215043 [0,0,0,1,0,0|1,0,2]=4 4201 B12R1.329 OCCCN1CCCCCCC1 34a_100000211400_100000230001 [0,0,0,1,0,0|1,0,2]=4 4202 B12R1.329 OCCNC1CC/C=C\CCC1 34a_100016990907_100021000466 [0,0,0,1,0,0|3,0,0]=4 4203 B12R1.329 OCCNC1CCCCCCC1 2230a_100000211152_100000211926 [0,0,0,1,0,0|1,0,1]=3 4204 B12R1.329 OCCNC1CCCCCCC1 270004a_100000210304_100000210524 [0,0,0,1,0,0|1,0,1]=3 4205 B12R1.329 OCCNC1CCCCCCC1 34a_100000211152_100000211926 [0,0,0,1,0,0|1,0,1]=3 4206 B12R1.329 OCCOC1CC/C=C\CCC1 34a_100016989180_100000211926 [0,0,0,1,0,0|3,0,0]=4 4207 B12R1.329 OCCOC1CCCCCCC1 34a_100000210054_100000211926 [0,0,0,1,0,0|1,0,1]=3 4208 B12R1.329 OCCOC1CCCCCCC1 7a_100000210054_100000211926 [0,0,0,1,0,0|1,0,1]=3 4209 B12R1.329 OCCSC1CC/C=C\CCC1 62a_100000211926_100021000466 [0,0,0,1,0,0|3,0,0]=4 4210 B12R1.329 OCCSC1CC/C=C\CCC1 62a_100021000466_100000211926 [0,0,0,1,0,0|3,0,0]=4 4211 B12R1.372 CC/C=C\CCN1CCC[C@@H]1C 2230a_100020605311_100015370543 [0,0,0,1,0,0|2,0,0]=3 4212 B12R1.372 CC/C=C\CCN1CCC[C@@H]1C 269982a_100020605311_100015370543 [0,0,0,1,0,0|2,0,0]=3 4213 B12R1.372 CC/C=C\CCN1CCC[C@H]1C 2230a_100015189458_100015370543 [0,0,0,1,0,0|2,0,0]=3 4214 B12R1.372 CC/C=C\CCN1CCC[C@H]1C 269982a_100015189458_100015370543 [0,0,0,1,0,0|2,0,0]=3 4215 B12R1.372 CC/C=C\CCN1CCC[C@H]1C 34a_100015189458_100015370543 [0,0,0,1,0,0|2,0,0]=3 4216 B12R1.372 CC/C=C\CCN1CCSC1C 2230a_200011216479_100015370543 [0,0,0,1,0,0|3,0,0]=4 4217 B12R1.372 CC/C=C\CCN1CCSC1C 269982a_200011216479_100015370543 [0,0,0,1,0,0|3,0,0]=4 4218 B12R1.372 CC/C=C\CCN1CCSC1C 34a_200011216479_100015370543 [0,0,0,1,0,0|3,0,0]=4 4219 B12R1.372 CC/C=C\COC1CCCC1C 34a_100011216460_100103147603 [0,0,0,1,0,0|2,0,0]=3 4220 B12R1.372 CC/C=C\COC1CCCC1C 7a_100011216460_100103147603 [0,0,0,1,0,0|2,0,0]=3 4221 B12R1.372 CC/C=C\CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100103147603 [0,0,0,1,0,0|3,0,0]=4 4222 B12R1.372 CC/C=C\CO[C@H]1CCC[C@@H]1N 34a_100000748460_100103147603 [0,0,0,1,0,0|3,0,0]=4 4223 B12R1.372 CC/C=C\CO[C@H]1CNC[C@H]1C 34a_200015306588_100103147603 [0,0,0,1,0,0|3,0,0]=4 4224 B12R1.372 CC/C=C\CS[C@@H]1CCC[C@H]1O 62a_100103147603_200016002552 [0,0,0,1,0,0|3,0,0]=4 4225 B12R1.372 CC/C=C\CS[C@@H]1CCC[C@H]1O 62a_200016002552_100103147603 [0,0,0,1,0,0|3,0,0]=4 4226 B12R1.372 CC1CCCC1NCCCCO 269862a_100000750430_100000752053 [0,0,0,1,0,0|1,0,2]=4 4227 B12R1.372 CC1CCCC1OCC#CCO 34a_100011216460_200000047223 [0,0,0,1,0,0|1,0,2]=4 4228 B12R1.372 CC1CCCC1OCC#CCO 7a_100011216460_200000047223 [0,0,0,1,0,0|1,0,2]=4 4229 B12R1.372 CC1CCCC1OCCCCO 34a_100011216460_100011216708 [0,0,0,1,0,0|1,0,2]=4 4230 B12R1.372 CC1CCCC1OCCCCO 7a_100011216460_100000210776 [0,0,0,1,0,0|1,0,2]=4 4231 B12R1.372 CCCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210326 [0,0,0,1,0,0|2,0,1]=4 4232 B12R1.372 CCCCCOC1COCC1O 34a_100000210253_200000725654 [0,0,0,1,0,0|2,0,1]=4 4233 B12R1.372 CCCCCOC1COCC1O 7a_100000210253_200000725654 [0,0,0,1,0,0|2,0,1]=4 4234 B12R1.372 CCCCCSC1COCC1O 62a_100000210326_200000725654 [0,0,0,1,0,0|2,0,1]=4 4235 B12R1.372 CCCCCSC1COCC1O 62a_200000725654_100000210326 [0,0,0,1,0,0|2,0,1]=4 4236 B12R1.372 CCCCCS[C@@H]1CCC[C@H]1O 62a_100000210326_200016002552 [0,0,0,1,0,0|1,0,2]=4 4237 B12R1.372 CCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210326 [0,0,0,1,0,0|1,0,2]=4 4238 B12R1.372 CN1CCCC1CCNCCO 2230a_100016997473_100000005710 [0,0,0,1,0,0|2,0,1]=4 4239 B12R1.372 CN1CCCC1CCNCCO 34a_100016990907_100000005710 [0,0,0,1,0,0|2,0,1]=4 4240 B12R1.372 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[0,0,0,1,0,0|2,0,1]=4 4323 B12R1.375 OCCOCCOCCC1CC1 7a_100000754188_100011215305 [0,0,0,1,0,0|2,0,1]=4 4324 B12R1.375 OCCOCCSCCC1CC1 62a_100000764125_100011215305 [0,0,0,1,0,0|2,0,1]=4 4325 B12R1.375 OCCOCCSCCC1CC1 62a_100011215305_100000764125 [0,0,0,1,0,0|2,0,1]=4 4326 B12R1.375 OCCSCCNCCC1CC1 2230a_100011219999_100000694398 [0,0,0,1,0,0|2,0,1]=4 4327 B12R1.383 CC1CCN1CCCCCCO 269982a_100000755817_100000766143 [0,0,0,1,0,0|1,0,2]=4 4328 B12R1.383 CC1CCN1CCCCCCO 34a_100000755817_100000766143 [0,0,0,1,0,0|1,0,2]=4 4329 B12R1.458 CC/C=C\CN1CCC1COC 2230a_100015195929_100103147603 [0,0,0,1,0,0|3,0,0]=4 4330 B12R1.458 CC/C=C\CN1CCC1COC 269982a_100015195929_100103147603 [0,0,0,1,0,0|3,0,0]=4 4331 B12R1.458 CC/C=C\CN1CCC1COC 34a_100015195929_100103147603 [0,0,0,1,0,0|3,0,0]=4 4332 B12R1.1414 BrCCOCC1CCCCCC1 34a_100000211926_200000696569 [0,0,0,1,0,0|2,0,1]=4 4333 B12R1.1414 CC/C=C\CN1CCCCCC1 2230a_100000185865_100103147603 [0,0,0,1,0,0|2,0,0]=3 4334 B12R1.1414 CC/C=C\CN1CCCCCC1 269982a_100000185865_100103147603 [0,0,0,1,0,0|2,0,0]=3 4335 B12R1.1414 CC/C=C\CN1CCCCCC1 34a_100000185865_100103147603 [0,0,0,1,0,0|2,0,0]=3 4336 B12R1.1414 CC/C=C\CN1CCCOCC1 2230a_100000685342_100103147603 [0,0,0,1,0,0|3,0,0]=4 4337 B12R1.1414 CC/C=C\CN1CCCOCC1 269982a_100000685342_100103147603 [0,0,0,1,0,0|3,0,0]=4 4338 B12R1.1414 CC/C=C\CN1CCCOCC1 34a_100000685342_100103147603 [0,0,0,1,0,0|3,0,0]=4 4339 B12R1.1414 CCCNCC1CCCCCC1 2230a_100015204231_100000210303 [0,0,0,1,0,0|2,0,1]=4 4340 B12R1.1414 CCCNCC1CCCCCC1 269862a_100020643023_200000763224 [0,0,0,1,0,0|2,0,1]=4 4341 B12R1.1414 CCCNCC1CCCCCC1 34a_100015204231_100000210303 [0,0,0,1,0,0|2,0,1]=4 4342 B12R1.1414 CCCOCC1CCCCCC1 34a_100000210258_200000696569 [0,0,0,1,0,0|2,0,1]=4 4343 B12R1.1414 CCCOCC1CCCCCC1 34a_100000699130_100000210303 [0,0,0,1,0,0|2,0,1]=4 4344 B12R1.1414 CCCOCC1CCCCCC1 7a_100000699130_100000210303 [0,0,0,1,0,0|2,0,1]=4 4345 B12R1.1414 CCCSCC1CCCCCC1 62a_100000210303_200000696569 [0,0,0,1,0,0|2,0,1]=4 4346 B12R1.1414 CCCSCC1CCCCCC1 62a_200000696569_100000210303 [0,0,0,1,0,0|2,0,1]=4 4347 B12R1.1414 CCNCCC1CCCCCC1 2230a_100011532351_100000210202 [0,0,0,1,0,0|2,0,1]=4 4348 B12R1.1414 CCNCCC1CCCCCC1 34a_100011532351_100000210202 [0,0,0,1,0,0|2,0,1]=4 4349 B12R1.1414 FCCNCC1CCCCCC1 2230a_100015204231_100011217306 [0,0,0,1,0,0|2,0,1]=4 4350 B12R1.1414 FCCNCC1CCCCCC1 269862a_100000724931_200000763224 [0,0,0,1,0,0|2,0,1]=4 4351 B12R1.1414 FCCNCC1CCCCCC1 34a_100000724931_200000696569 [0,0,0,1,0,0|2,0,1]=4 4352 B12R1.1414 FCCNCC1CCCCCC1 34a_100015204231_100011217306 [0,0,0,1,0,0|2,0,1]=4 4353 B12R1.1414 FCCOCC1CCCCCC1 34a_100000699130_100011217306 [0,0,0,1,0,0|2,0,1]=4 4354 B12R1.1414 FCCOCC1CCCCCC1 7a_100000699130_100011217306 [0,0,0,1,0,0|2,0,1]=4 4355 B12R1.1414 FCCSCC1CCCCCC1 62a_100011217306_200000696569 [0,0,0,1,0,0|2,0,1]=4 4356 B12R1.1414 FCCSCC1CCCCCC1 62a_200000696569_100011217306 [0,0,0,1,0,0|2,0,1]=4 4357 B12R1.1414 FCNCCC1CCCCCC1 34a_100011532351_100015361967 [0,0,0,1,0,0|2,0,1]=4 4358 B12R1.1414 NCCOCC1CCCCCC1 34a_100000210304_200000696569 [0,0,0,1,0,0|2,0,1]=4 4359 B12R1.1414 OCC#CCN1CCCCCC1 2230a_100000185865_200000047223 [0,0,0,1,0,0|1,0,2]=4 4360 B12R1.1414 OCC#CCN1CCCCCC1 34a_100000185865_200000047223 [0,0,0,1,0,0|1,0,2]=4 4361 B12R1.1414 OCCCCN1CCCCCC1 2230a_100000185865_100000210776 [0,0,0,1,0,0|1,0,2]=4 4362 B12R1.1414 OCCCCN1CCCCCC1 269982a_100000185865_100000210776 [0,0,0,1,0,0|1,0,2]=4 4363 B12R1.1414 OCCCCN1CCCCCC1 34a_100000185865_100011216708 [0,0,0,1,0,0|1,0,2]=4 4364 B12R1.1414 OCCCNC1CCCCCC1 2230a_100000210984_100000230001 [0,0,0,1,0,0|1,0,2]=4 4365 B12R1.1414 OCCCNC1CCCCCC1 270004a_100000182051_100000210131 [0,0,0,1,0,0|1,0,2]=4 4366 B12R1.1414 OCCCNC1CCCCCC1 34a_100000210984_100000230001 [0,0,0,1,0,0|1,0,2]=4 4367 B12R1.1414 OCCCOC1CCCCCC1 34a_100000210887_100000230001 [0,0,0,1,0,0|1,0,2]=4 4368 B12R1.1414 OCCCOC1CCCCCC1 7a_100000210887_100011215043 [0,0,0,1,0,0|1,0,2]=4 4369 B12R1.1414 OCCCSC1CCCCCC1 62a_100011215043_100011217769 [0,0,0,1,0,0|1,0,2]=4 4370 B12R1.1414 OCCCSC1CCCCCC1 62a_100011217769_100011215043 [0,0,0,1,0,0|1,0,2]=4 4371 B12R1.1414 OCCNCC1CCCCCC1 2230a_100015204231_100000211926 [0,0,0,1,0,0|1,0,1]=3 4372 B12R1.1414 OCCNCC1CCCCCC1 2230a_100016997473_200000696569 [0,0,0,1,0,0|1,0,1]=3 4373 B12R1.1414 OCCNCC1CCCCCC1 269862a_100000210304_200000763224 [0,0,0,1,0,0|1,0,1]=3 4374 B12R1.1414 OCCNCC1CCCCCC1 34a_100015204231_100000211926 [0,0,0,1,0,0|1,0,1]=3 4375 B12R1.1414 OCCNCC1CCCCCC1 34a_100016990907_200000696569 [0,0,0,1,0,0|1,0,1]=3 4376 B12R1.1414 OCCOCC1CCCCCC1 34a_100000699130_100000211926 [0,0,0,1,0,0|1,0,1]=3 4377 B12R1.1414 OCCOCC1CCCCCC1 7a_100000699130_100000211926 [0,0,0,1,0,0|1,0,1]=3 4378 B12R1.1414 OCCSCC1CCCCCC1 62a_100000211926_200000696569 [0,0,0,1,0,0|1,0,1]=3 4379 B12R1.1414 OCCSCC1CCCCCC1 62a_200000696569_100000211926 [0,0,0,1,0,0|1,0,1]=3 4380 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [2,0,0,0,0,0|1,0,0]=3 4381 B9R0.45 C/C=C/CCOCCCF 34a_100016278192_100011934791 [2,0,0,0,0,0|2,0,0]=4 4382 B9R0.45 C/C=C/CCOCCCO 34a_100016278192_100000230001 [2,0,0,0,0,0|2,0,0]=4 4383 B9R0.45 C/C=C/CCOCCOC 34a_100016278192_100011201679 [2,0,0,0,0,0|2,0,0]=4 4384 B9R0.45 C/C=C/CCOCCSC 34a_100016278192_100000212216 [2,0,0,0,0,0|2,0,0]=4 4385 B9R0.45 C/C=C/CNCCCCO 34a_100000750430_100102629194 [2,0,0,0,0,0|2,0,0]=4 4386 B9R0.45 C/C=C/CNCCCOC 34a_100150723488_100102629194 [2,0,0,0,0,0|2,0,0]=4 4387 B9R0.45 C/C=C/CNCCOCC 34a_102516460346_100102629194 [2,0,0,0,0,0|2,0,0]=4 4388 B9R0.45 C/C=C/COCCCCBr 34a_100011216708_100102629194 [2,0,0,0,0,0|2,0,0]=4 4389 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [2,0,0,0,0,0|1,0,0]=3 4390 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [2,0,0,0,0,0|1,0,0]=3 4391 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [2,0,0,0,0,0|1,0,0]=3 4392 B9R0.45 C/C=C/COCCCCCl 34a_100000210776_100102629194 [2,0,0,0,0,0|2,0,0]=4 4393 B9R0.45 C/C=C/COCCCCCl 7a_100000210776_100102629194 [2,0,0,0,0,0|2,0,0]=4 4394 B9R0.45 C/C=C/COCCCCF 34a_100011995726_100102629194 [2,0,0,0,0,0|2,0,0]=4 4395 B9R0.45 C/C=C/COCCCCF 34a_100016270725_100000729493 [2,0,0,0,0,0|2,0,0]=4 4396 B9R0.45 C/C=C/COCCCCF 7a_100011995726_100102629194 [2,0,0,0,0,0|2,0,0]=4 4397 B9R0.45 C/C=C/COCCCCI 34a_200012148704_100102629194 [2,0,0,0,0,0|2,0,0]=4 4398 B9R0.45 C/C=C/COCCCCN 34a_100000750430_100102629194 [2,0,0,0,0,0|2,0,0]=4 4399 B9R0.45 C/C=C/COCCCCO 34a_100016270725_100011216708 [2,0,0,0,0,0|2,0,0]=4 4400 B9R0.45 C/C=C/COCCCNC 34a_100000213112_100102629194 [2,0,0,0,0,0|2,0,0]=4 4401 B9R0.45 C/C=C/COCCCOC 34a_100000740835_100102629194 [2,0,0,0,0,0|2,0,0]=4 4402 B9R0.45 C/C=C/COCCCOC 34a_100016270725_100000740836 [2,0,0,0,0,0|2,0,0]=4 4403 B9R0.45 C/C=C/COCCCSC 34a_100000690336_100102629194 [2,0,0,0,0,0|2,0,0]=4 4404 B9R0.45 C/C=C/COCCCSC 7a_100000690336_100102629194 [2,0,0,0,0,0|2,0,0]=4 4405 B9R0.45 C/C=C/COCCOCC 34a_100000210136_100102629194 [2,0,0,0,0,0|2,0,0]=4 4406 B9R0.45 C/C=C/COCCOCC 34a_100016270725_100000210147 [2,0,0,0,0,0|2,0,0]=4 4407 B9R0.45 C/C=C/COCCOCC 7a_100000210136_100102629194 [2,0,0,0,0,0|2,0,0]=4 4408 B9R0.45 C/C=C/COCCSCC 34a_100000212035_100102629194 [2,0,0,0,0,0|2,0,0]=4 4409 B9R0.45 C/C=C/COCCSCC 34a_100016270725_100000757381 [2,0,0,0,0,0|2,0,0]=4 4410 B9R0.45 C/C=C/COCCSCC 7a_100000212035_100102629194 [2,0,0,0,0,0|2,0,0]=4 4411 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [2,0,0,0,0,0|1,0,0]=3 4412 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [2,0,0,0,0,0|1,0,0]=3 4413 B9R0.45 C/C=C/CSCCCCF 62a_100000729493_100102629194 [2,0,0,0,0,0|2,0,0]=4 4414 B9R0.45 C/C=C/CSCCCCF 62a_100102629194_100000729493 [2,0,0,0,0,0|2,0,0]=4 4415 B9R0.45 C/C=C/CSCCCCO 62a_100000210776_100102629194 [2,0,0,0,0,0|2,0,0]=4 4416 B9R0.45 C/C=C/CSCCCCO 62a_100102629194_100000210776 [2,0,0,0,0,0|2,0,0]=4 4417 B9R0.45 C/C=C/CSCCCOC 62a_100000709357_100102629194 [2,0,0,0,0,0|2,0,0]=4 4418 B9R0.45 C/C=C/CSCCCOC 62a_100102629194_100000709357 [2,0,0,0,0,0|2,0,0]=4 4419 B9R0.45 C/C=C/CSCCOCC 62a_100000210147_100102629194 [2,0,0,0,0,0|2,0,0]=4 4420 B9R0.45 C/C=C/CSCCOCC 62a_100102629194_100011215890 [2,0,0,0,0,0|2,0,0]=4 4421 B9R0.45 C/C=C/CSCCSCC 62a_100000757381_100102629194 [2,0,0,0,0,0|2,0,0]=4 4422 B9R0.45 C/C=C/CSCCSCC 62a_100102629194_100000757381 [2,0,0,0,0,0|2,0,0]=4 4423 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [2,0,0,0,0,0|1,0,0]=3 4424 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [2,0,0,0,0,0|1,0,0]=3 4425 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [2,0,0,0,0,0|1,0,0]=3 4426 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [2,0,0,0,0,0|1,0,0]=3 4427 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [2,0,0,0,0,0|1,0,0]=3 4428 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [2,0,0,0,0,0|1,0,0]=3 4429 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [2,0,0,0,0,0|1,0,0]=3 4430 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [2,0,0,0,0,0|1,0,0]=3 4431 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [2,0,0,0,0,0|1,0,0]=3 4432 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [2,0,0,0,0,0|1,0,0]=3 4433 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [2,0,0,0,0,0|1,0,0]=3 4434 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [2,0,0,0,0,0|1,0,0]=3 4435 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [2,0,0,0,0,0|1,0,0]=3 4436 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [2,0,0,0,0,0|1,0,0]=3 4437 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [2,0,0,0,0,0|1,0,0]=3 4438 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [2,0,0,0,0,0|1,0,0]=3 4439 B9R0.45 C=CCCCCCOCF 34a_100011216702_100015361967 [2,0,0,0,0,0|2,0,0]=4 4440 B9R0.45 C=CCCCCCOCF 7a_100011216702_100015361967 [2,0,0,0,0,0|2,0,0]=4 4441 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [2,0,0,0,0,0|1,0,0]=3 4442 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [2,0,0,0,0,0|1,0,0]=3 4443 B9R0.45 C=CCCCCCSCF 62a_100000700193_100015361967 [2,0,0,0,0,0|2,0,0]=4 4444 B9R0.45 C=CCCCCCSCF 62a_100015361967_100000700193 [2,0,0,0,0,0|2,0,0]=4 4445 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [2,0,0,0,0,0|1,0,0]=3 4446 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [2,0,0,0,0,0|1,0,0]=3 4447 B9R0.45 C=CCCCCNCCF 2230a_100000703577_100011217306 [2,0,0,0,0,0|2,0,0]=4 4448 B9R0.45 C=CCCCCNCCF 34a_100000703577_100011217306 [2,0,0,0,0,0|2,0,0]=4 4449 B9R0.45 C=CCCCCNCCF 34a_100000724931_100011215482 [2,0,0,0,0,0|2,0,0]=4 4450 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [2,0,0,0,0,0|2,0,0]=4 4451 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [2,0,0,0,0,0|2,0,0]=4 4452 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [2,0,0,0,0,0|2,0,0]=4 4453 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [2,0,0,0,0,0|2,0,0]=4 4454 B9R0.45 C=CCCCCNCOC 2230a_100000703577_100000766300 [2,0,0,0,0,0|2,0,0]=4 4455 B9R0.45 C=CCCCCNCSC 2230a_100000703577_100011218213 [2,0,0,0,0,0|2,0,0]=4 4456 B9R0.45 C=CCCCCNCSC 34a_100000703577_100011218213 [2,0,0,0,0,0|2,0,0]=4 4457 B9R0.45 C=CCCCCOCCBr 34a_100000211926_100011215482 [2,0,0,0,0,0|2,0,0]=4 4458 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [2,0,0,0,0,0|1,0,0]=3 4459 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [2,0,0,0,0,0|1,0,0]=3 4460 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [2,0,0,0,0,0|1,0,0]=3 4461 B9R0.45 C=CCCCCOCCF 34a_100000766645_100011217306 [2,0,0,0,0,0|2,0,0]=4 4462 B9R0.45 C=CCCCCOCCF 7a_100000766645_100011217306 [2,0,0,0,0,0|2,0,0]=4 4463 B9R0.45 C=CCCCCOCCN 34a_100000210304_100011215482 [2,0,0,0,0,0|2,0,0]=4 4464 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [2,0,0,0,0,0|2,0,0]=4 4465 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [2,0,0,0,0,0|2,0,0]=4 4466 B9R0.45 C=CCCCCOCSC 34a_100000766645_100011218213 [2,0,0,0,0,0|2,0,0]=4 4467 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [2,0,0,0,0,0|1,0,0]=3 4468 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [2,0,0,0,0,0|1,0,0]=3 4469 B9R0.45 C=CCCCCSCCF 62a_100011215482_100011217306 [2,0,0,0,0,0|2,0,0]=4 4470 B9R0.45 C=CCCCCSCCF 62a_100011217306_100011215482 [2,0,0,0,0,0|2,0,0]=4 4471 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [2,0,0,0,0,0|2,0,0]=4 4472 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [2,0,0,0,0,0|2,0,0]=4 4473 B9R0.45 C=CCCCCSCOC 62a_100000766300_100011215482 [2,0,0,0,0,0|2,0,0]=4 4474 B9R0.45 C=CCCCCSCOC 62a_100011215482_100000766300 [2,0,0,0,0,0|2,0,0]=4 4475 B9R0.45 C=CCCCCSCSC 62a_100011215482_100011218213 [2,0,0,0,0,0|2,0,0]=4 4476 B9R0.45 C=CCCCCSCSC 62a_100011218213_100011215482 [2,0,0,0,0,0|2,0,0]=4 4477 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [2,0,0,0,0,0|1,0,0]=3 4478 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [2,0,0,0,0,0|1,0,0]=3 4479 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [2,0,0,0,0,0|1,0,0]=3 4480 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [2,0,0,0,0,0|1,0,0]=3 4481 B9R0.45 C=CCCCNCCCF 2230a_100000700776_100011934791 [2,0,0,0,0,0|2,0,0]=4 4482 B9R0.45 C=CCCCNCCCF 2230a_100015189416_100011713584 [2,0,0,0,0,0|2,0,0]=4 4483 B9R0.45 C=CCCCNCCCF 34a_100000700776_100011934791 [2,0,0,0,0,0|2,0,0]=4 4484 B9R0.45 C=CCCCNCCCF 34a_100015189416_100000757094 [2,0,0,0,0,0|2,0,0]=4 4485 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [2,0,0,0,0,0|2,0,0]=4 4486 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [2,0,0,0,0,0|2,0,0]=4 4487 B9R0.45 C=CCCCNCCOC 2230a_100000209980_100011713584 [2,0,0,0,0,0|2,0,0]=4 4488 B9R0.45 C=CCCCNCCOC 2230a_100000700776_100011201679 [2,0,0,0,0,0|2,0,0]=4 4489 B9R0.45 C=CCCCNCCOC 34a_100000700776_100011201679 [2,0,0,0,0,0|2,0,0]=4 4490 B9R0.45 C=CCCCNCCSC 2230a_100000700776_100000751147 [2,0,0,0,0,0|2,0,0]=4 4491 B9R0.45 C=CCCCNCCSC 2230a_100020590264_100011713584 [2,0,0,0,0,0|2,0,0]=4 4492 B9R0.45 C=CCCCNCCSC 34a_100000700776_100000212216 [2,0,0,0,0,0|2,0,0]=4 4493 B9R0.45 C=CCCCOCCCBr 34a_100011217188_100000757094 [2,0,0,0,0,0|2,0,0]=4 4494 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [2,0,0,0,0,0|1,0,0]=3 4495 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [2,0,0,0,0,0|1,0,0]=3 4496 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [2,0,0,0,0,0|1,0,0]=3 4497 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [2,0,0,0,0,0|1,0,0]=3 4498 B9R0.45 C=CCCCOCCCCl 34a_100000230001_100000757094 [2,0,0,0,0,0|2,0,0]=4 4499 B9R0.45 C=CCCCOCCCF 34a_100000758997_100011934791 [2,0,0,0,0,0|2,0,0]=4 4500 B9R0.45 C=CCCCOCCCF 34a_100000759539_100000757094 [2,0,0,0,0,0|2,0,0]=4 4501 B9R0.45 C=CCCCOCCCF 7a_100000758997_100011934791 [2,0,0,0,0,0|2,0,0]=4 4502 B9R0.45 C=CCCCOCCCN 34a_100000182051_100000757094 [2,0,0,0,0,0|2,0,0]=4 4503 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [2,0,0,0,0,0|2,0,0]=4 4504 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [2,0,0,0,0,0|2,0,0]=4 4505 B9R0.45 C=CCCCOCCOC 34a_100000210237_100000757094 [2,0,0,0,0,0|2,0,0]=4 4506 B9R0.45 C=CCCCOCCOC 34a_100000758997_100011201679 [2,0,0,0,0,0|2,0,0]=4 4507 B9R0.45 C=CCCCOCCOC 7a_100000758997_100000233755 [2,0,0,0,0,0|2,0,0]=4 4508 B9R0.45 C=CCCCOCCSC 34a_100000230434_100000757094 [2,0,0,0,0,0|2,0,0]=4 4509 B9R0.45 C=CCCCOCCSC 34a_100000758997_100000212216 [2,0,0,0,0,0|2,0,0]=4 4510 B9R0.45 C=CCCCOCCSC 7a_100000230434_100000757094 [2,0,0,0,0,0|2,0,0]=4 4511 B9R0.45 C=CCCCOCCSC 7a_100000758997_100000212216 [2,0,0,0,0,0|2,0,0]=4 4512 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [2,0,0,0,0,0|1,0,0]=3 4513 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [2,0,0,0,0,0|1,0,0]=3 4514 B9R0.45 C=CCCCSCCCF 62a_100011713584_100011934791 [2,0,0,0,0,0|2,0,0]=4 4515 B9R0.45 C=CCCCSCCCF 62a_100011934791_100000757094 [2,0,0,0,0,0|2,0,0]=4 4516 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [2,0,0,0,0,0|2,0,0]=4 4517 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [2,0,0,0,0,0|2,0,0]=4 4518 B9R0.45 C=CCCCSCCOC 62a_100000233755_100000757094 [2,0,0,0,0,0|2,0,0]=4 4519 B9R0.45 C=CCCCSCCOC 62a_100011713584_100000233755 [2,0,0,0,0,0|2,0,0]=4 4520 B9R0.45 C=CCCCSCCSC 62a_100000212216_100000757094 [2,0,0,0,0,0|2,0,0]=4 4521 B9R0.45 C=CCCCSCCSC 62a_100011713584_100000751147 [2,0,0,0,0,0|2,0,0]=4 4522 B9R0.45 C=CCCCSCOCC 62a_100000739092_100000757094 [2,0,0,0,0,0|2,0,0]=4 4523 B9R0.45 C=CCCCSCOCC 62a_100011713584_100000739092 [2,0,0,0,0,0|2,0,0]=4 4524 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [2,0,0,0,0,0|1,0,0]=3 4525 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [2,0,0,0,0,0|1,0,0]=3 4526 B9R0.45 C=CCCNCCCCF 2230a_100015191253_100000729493 [2,0,0,0,0,0|2,0,0]=4 4527 B9R0.45 C=CCCNCCCCO 2230a_100000750430_100000754431 [2,0,0,0,0,0|2,0,0]=4 4528 B9R0.45 C=CCCNCCCCO 2230a_100015191253_100000210776 [2,0,0,0,0,0|2,0,0]=4 4529 B9R0.45 C=CCCNCCCCO 34a_100000750430_100000754431 [2,0,0,0,0,0|2,0,0]=4 4530 B9R0.45 C=CCCNCCCOC 2230a_100015191253_100000740836 [2,0,0,0,0,0|2,0,0]=4 4531 B9R0.45 C=CCCNCCCOC 34a_100150723488_100000754431 [2,0,0,0,0,0|2,0,0]=4 4532 B9R0.45 C=CCCNCCCSC 2230a_100000749238_100000754431 [2,0,0,0,0,0|2,0,0]=4 4533 B9R0.45 C=CCCNCCOCC 2230a_100015191253_100011215890 [2,0,0,0,0,0|2,0,0]=4 4534 B9R0.45 C=CCCNCCOCC 2230a_102516460346_100000754431 [2,0,0,0,0,0|2,0,0]=4 4535 B9R0.45 C=CCCNCCOCC 34a_102516460346_100000754431 [2,0,0,0,0,0|2,0,0]=4 4536 B9R0.45 C=CCCNCCSCC 2230a_100000106463_100000754431 [2,0,0,0,0,0|2,0,0]=4 4537 B9R0.45 C=CCCNCCSCC 2230a_100015191253_100000757381 [2,0,0,0,0,0|2,0,0]=4 4538 B9R0.45 C=CCCOCCCCBr 34a_100011216708_100000754431 [2,0,0,0,0,0|2,0,0]=4 4539 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [2,0,0,0,0,0|1,0,0]=3 4540 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [2,0,0,0,0,0|1,0,0]=3 4541 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [2,0,0,0,0,0|1,0,0]=3 4542 B9R0.45 C=CCCOCCCCCl 34a_100000210776_100000754431 [2,0,0,0,0,0|2,0,0]=4 4543 B9R0.45 C=CCCOCCCCCl 7a_100000210776_100000754431 [2,0,0,0,0,0|2,0,0]=4 4544 B9R0.45 C=CCCOCCCCF 34a_100011205117_100000729493 [2,0,0,0,0,0|2,0,0]=4 4545 B9R0.45 C=CCCOCCCCF 34a_100011995726_100000754431 [2,0,0,0,0,0|2,0,0]=4 4546 B9R0.45 C=CCCOCCCCF 7a_100011995726_100000754431 [2,0,0,0,0,0|2,0,0]=4 4547 B9R0.45 C=CCCOCCCCI 34a_200012148704_100000754431 [2,0,0,0,0,0|2,0,0]=4 4548 B9R0.45 C=CCCOCCCCN 34a_100000750430_100000754431 [2,0,0,0,0,0|2,0,0]=4 4549 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [2,0,0,0,0,0|2,0,0]=4 4550 B9R0.45 C=CCCOCCCNC 34a_100000213112_100000754431 [2,0,0,0,0,0|2,0,0]=4 4551 B9R0.45 C=CCCOCCCOC 34a_100000740835_100000754431 [2,0,0,0,0,0|2,0,0]=4 4552 B9R0.45 C=CCCOCCCOC 34a_100011205117_100000740836 [2,0,0,0,0,0|2,0,0]=4 4553 B9R0.45 C=CCCOCCCSC 34a_100000690336_100000754431 [2,0,0,0,0,0|2,0,0]=4 4554 B9R0.45 C=CCCOCCCSC 7a_100000690336_100000754431 [2,0,0,0,0,0|2,0,0]=4 4555 B9R0.45 C=CCCOCCOCC 34a_100000210136_100000754431 [2,0,0,0,0,0|2,0,0]=4 4556 B9R0.45 C=CCCOCCOCC 34a_100011205117_100000210147 [2,0,0,0,0,0|2,0,0]=4 4557 B9R0.45 C=CCCOCCOCC 7a_100000210136_100000754431 [2,0,0,0,0,0|2,0,0]=4 4558 B9R0.45 C=CCCOCCSCC 34a_100000212035_100000754431 [2,0,0,0,0,0|2,0,0]=4 4559 B9R0.45 C=CCCOCCSCC 34a_100011205117_100000757381 [2,0,0,0,0,0|2,0,0]=4 4560 B9R0.45 C=CCCOCCSCC 7a_100000212035_100000754431 [2,0,0,0,0,0|2,0,0]=4 4561 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [2,0,0,0,0,0|1,0,0]=3 4562 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [2,0,0,0,0,0|1,0,0]=3 4563 B9R0.45 C=CCCSCCCCF 62a_100000729493_100000754431 [2,0,0,0,0,0|2,0,0]=4 4564 B9R0.45 C=CCCSCCCCF 62a_100000754431_100000729493 [2,0,0,0,0,0|2,0,0]=4 4565 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [2,0,0,0,0,0|2,0,0]=4 4566 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [2,0,0,0,0,0|2,0,0]=4 4567 B9R0.45 C=CCCSCCCOC 62a_100000709357_100000754431 [2,0,0,0,0,0|2,0,0]=4 4568 B9R0.45 C=CCCSCCCOC 62a_100000754431_100000709357 [2,0,0,0,0,0|2,0,0]=4 4569 B9R0.45 C=CCCSCCOCC 62a_100000210147_100000754431 [2,0,0,0,0,0|2,0,0]=4 4570 B9R0.45 C=CCCSCCOCC 62a_100000754431_100011215890 [2,0,0,0,0,0|2,0,0]=4 4571 B9R0.45 C=CCCSCCSCC 62a_100000754431_100000757381 [2,0,0,0,0,0|2,0,0]=4 4572 B9R0.45 C=CCCSCCSCC 62a_100000757381_100000754431 [2,0,0,0,0,0|2,0,0]=4 4573 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [2,0,0,0,0,0|1,0,0]=3 4574 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [2,0,0,0,0,0|1,0,0]=3 4575 B9R0.45 C=CCNCCCCCF 2230a_100020586998_100000729378 [2,0,0,0,0,0|2,0,0]=4 4576 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [2,0,0,0,0,0|2,0,0]=4 4577 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [2,0,0,0,0,0|2,0,0]=4 4578 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [2,0,0,0,0,0|2,0,0]=4 4579 B9R0.45 C=CCNCCCCOC 2230a_100020586998_100000730899 [2,0,0,0,0,0|2,0,0]=4 4580 B9R0.45 C=CCNCCCOCC 2230a_100000210961_100000210623 [2,0,0,0,0,0|2,0,0]=4 4581 B9R0.45 C=CCNCCCOCC 2230a_100020586998_100012232248 [2,0,0,0,0,0|2,0,0]=4 4582 B9R0.45 C=CCNCCCOCC 34a_100000210961_100015514636 [2,0,0,0,0,0|2,0,0]=4 4583 B9R0.45 C=CCNCCOCCC 2230a_100020586998_100011215938 [2,0,0,0,0,0|2,0,0]=4 4584 B9R0.45 C=CCNCCOCCC 2230a_100161115042_100000210623 [2,0,0,0,0,0|2,0,0]=4 4585 B9R0.45 C=CCNCCOCCC 34a_100161115042_100015514636 [2,0,0,0,0,0|2,0,0]=4 4586 B9R0.45 C=CCNCCSCCC 2230a_100020603323_100000210623 [2,0,0,0,0,0|2,0,0]=4 4587 B9R0.45 C=CCNCOCCCC 2230a_100020586998_100011995733 [2,0,0,0,0,0|2,0,0]=4 4588 B9R0.45 C=CCOCCCCCBr 34a_100000746331_100015514636 [2,0,0,0,0,0|2,0,0]=4 4589 B9R0.45 C=CCOCCCCCBr 7a_100000746331_100015514636 [2,0,0,0,0,0|2,0,0]=4 4590 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [2,0,0,0,0,0|1,0,0]=3 4591 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [2,0,0,0,0,0|1,0,0]=3 4592 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [2,0,0,0,0,0|1,0,0]=3 4593 B9R0.45 C=CCOCCCCCCl 34a_100000746330_100015514636 [2,0,0,0,0,0|2,0,0]=4 4594 B9R0.45 C=CCOCCCCCCl 7a_100000746330_100015514636 [2,0,0,0,0,0|2,0,0]=4 4595 B9R0.45 C=CCOCCCCCF 34a_200000210373_100000729378 [2,0,0,0,0,0|2,0,0]=4 4596 B9R0.45 C=CCOCCCCCI 34a_200012148887_100015514636 [2,0,0,0,0,0|2,0,0]=4 4597 B9R0.45 C=CCOCCCCCI 7a_200012148887_100015514636 [2,0,0,0,0,0|2,0,0]=4 4598 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [2,0,0,0,0,0|2,0,0]=4 4599 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [2,0,0,0,0,0|2,0,0]=4 4600 B9R0.45 C=CCOCCCCOC 34a_100000740925_100015514636 [2,0,0,0,0,0|2,0,0]=4 4601 B9R0.45 C=CCOCCCCOC 34a_200000210373_100000755781 [2,0,0,0,0,0|2,0,0]=4 4602 B9R0.45 C=CCOCCCCSC 34a_100011217163_100015514636 [2,0,0,0,0,0|2,0,0]=4 4603 B9R0.45 C=CCOCCCCSC 7a_100011217163_100015514636 [2,0,0,0,0,0|2,0,0]=4 4604 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [2,0,0,0,0,0|2,0,0]=4 4605 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [2,0,0,0,0,0|2,0,0]=4 4606 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [2,0,0,0,0,0|2,0,0]=4 4607 B9R0.45 C=CCOCCCSCC 34a_100011216438_100015514636 [2,0,0,0,0,0|2,0,0]=4 4608 B9R0.45 C=CCOCCCSCC 7a_100011216438_100015514636 [2,0,0,0,0,0|2,0,0]=4 4609 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [2,0,0,0,0,0|2,0,0]=4 4610 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [2,0,0,0,0,0|2,0,0]=4 4611 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [2,0,0,0,0,0|2,0,0]=4 4612 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [2,0,0,0,0,0|2,0,0]=4 4613 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [2,0,0,0,0,0|2,0,0]=4 4614 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [2,0,0,0,0,0|2,0,0]=4 4615 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [2,0,0,0,0,0|2,0,0]=4 4616 B9R0.45 C=CCOCOCCCC 34a_200000210373_100011995733 [2,0,0,0,0,0|2,0,0]=4 4617 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [2,0,0,0,0,0|1,0,0]=3 4618 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [2,0,0,0,0,0|1,0,0]=3 4619 B9R0.45 C=CCSCCCCCF 62a_100000210623_100000729378 [2,0,0,0,0,0|2,0,0]=4 4620 B9R0.45 C=CCSCCCCCF 62a_100000729378_100000210623 [2,0,0,0,0,0|2,0,0]=4 4621 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [2,0,0,0,0,0|2,0,0]=4 4622 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [2,0,0,0,0,0|2,0,0]=4 4623 B9R0.45 C=CCSCCCCOC 62a_100000210623_100000730899 [2,0,0,0,0,0|2,0,0]=4 4624 B9R0.45 C=CCSCCCCOC 62a_100000730899_100000210623 [2,0,0,0,0,0|2,0,0]=4 4625 B9R0.45 C=CCSCCCOCC 62a_100000210623_100012232248 [2,0,0,0,0,0|2,0,0]=4 4626 B9R0.45 C=CCSCCCOCC 62a_100012232248_100000210623 [2,0,0,0,0,0|2,0,0]=4 4627 B9R0.45 C=CCSCCOCCC 62a_100000210623_100011215938 [2,0,0,0,0,0|2,0,0]=4 4628 B9R0.45 C=CCSCCOCCC 62a_100011215938_100000210623 [2,0,0,0,0,0|2,0,0]=4 4629 B9R0.45 C=CCSCOCCCC 62a_100000210623_100011995733 [2,0,0,0,0,0|2,0,0]=4 4630 B9R0.45 C=CCSCOCCCC 62a_100011995733_100000210623 [2,0,0,0,0,0|2,0,0]=4 4631 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [2,0,0,0,0,0|2,0,0]=4 4632 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [2,0,0,0,0,0|2,0,0]=4 4633 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [2,0,0,0,0,0|2,0,0]=4 4634 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [2,0,0,0,0,0|2,0,0]=4 4635 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [2,0,0,0,0,0|2,0,0]=4 4636 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [2,0,0,0,0,0|2,0,0]=4 4637 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [2,0,0,0,0,0|2,0,0]=4 4638 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [2,0,0,0,0,0|2,0,0]=4 4639 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [2,0,0,0,0,0|2,0,0]=4 4640 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [2,0,0,0,0,0|2,0,0]=4 4641 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [2,0,0,0,0,0|2,0,0]=4 4642 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [2,0,0,0,0,0|2,0,0]=4 4643 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [2,0,0,0,0,0|2,0,0]=4 4644 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [2,0,0,0,0,0|2,0,0]=4 4645 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [2,0,0,0,0,0|2,0,0]=4 4646 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [2,0,0,0,0,0|2,0,0]=4 4647 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [2,0,0,0,0,0|2,0,0]=4 4648 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [2,0,0,0,0,0|2,0,0]=4 4649 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [2,0,0,0,0,0|2,0,0]=4 4650 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [2,0,0,0,0,0|2,0,0]=4 4651 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [2,0,0,0,0,0|2,0,0]=4 4652 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [2,0,0,0,0,0|2,0,0]=4 4653 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [2,0,0,0,0,0|2,0,0]=4 4654 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [2,0,0,0,0,0|2,0,0]=4 4655 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [2,0,0,0,0,0|2,0,0]=4 4656 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [2,0,0,0,0,0|2,0,0]=4 4657 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [2,0,0,0,0,0|2,0,0]=4 4658 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [2,0,0,0,0,0|2,0,0]=4 4659 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [2,0,0,0,0,0|2,0,0]=4 4660 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [2,0,0,0,0,0|1,0,0]=3 4661 B9R0.45 CC=CCCCOCCF 34a_100020645299_100011217306 [2,0,0,0,0,0|2,0,0]=4 4662 B9R0.45 CC=CCCCOCCO 34a_100020645299_100000211926 [2,0,0,0,0,0|2,0,0]=4 4663 B9R0.45 CC=CCCCOCSC 34a_100020645299_100011218213 [2,0,0,0,0,0|2,0,0]=4 4664 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [2,0,0,0,0,0|1,0,0]=3 4665 B9R0.45 CC=CCNCCCCO 2230a_100000750430_100000070051 [2,0,0,0,0,0|2,0,0]=4 4666 B9R0.45 CC=CCNCCCCO 34a_100000750430_100000070051 [2,0,0,0,0,0|2,0,0]=4 4667 B9R0.45 CC=CCNCCCOC 34a_100150723488_100000070051 [2,0,0,0,0,0|2,0,0]=4 4668 B9R0.45 CC=CCNCCCSC 2230a_100000749238_100000070051 [2,0,0,0,0,0|2,0,0]=4 4669 B9R0.45 CC=CCNCCOCC 2230a_102516460346_100000070051 [2,0,0,0,0,0|2,0,0]=4 4670 B9R0.45 CC=CCNCCOCC 34a_102516460346_100000070051 [2,0,0,0,0,0|2,0,0]=4 4671 B9R0.45 CC=CCNCCSCC 2230a_100000106463_100000070051 [2,0,0,0,0,0|2,0,0]=4 4672 B9R0.45 CC=CCOCCCCBr 34a_100011216708_100000070051 [2,0,0,0,0,0|2,0,0]=4 4673 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [2,0,0,0,0,0|1,0,0]=3 4674 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [2,0,0,0,0,0|1,0,0]=3 4675 B9R0.45 CC=CCOCCCCCl 34a_100000210776_100000070051 [2,0,0,0,0,0|2,0,0]=4 4676 B9R0.45 CC=CCOCCCCCl 7a_100000210776_100000070051 [2,0,0,0,0,0|2,0,0]=4 4677 B9R0.45 CC=CCOCCCCF 34a_100011995726_100000070051 [2,0,0,0,0,0|2,0,0]=4 4678 B9R0.45 CC=CCOCCCCF 7a_100011995726_100000070051 [2,0,0,0,0,0|2,0,0]=4 4679 B9R0.45 CC=CCOCCCCI 34a_200012148704_100000070051 [2,0,0,0,0,0|2,0,0]=4 4680 B9R0.45 CC=CCOCCCCN 34a_100000750430_100000070051 [2,0,0,0,0,0|2,0,0]=4 4681 B9R0.45 CC=CCOCCCNC 34a_100000213112_100000070051 [2,0,0,0,0,0|2,0,0]=4 4682 B9R0.45 CC=CCOCCCOC 34a_100000740835_100000070051 [2,0,0,0,0,0|2,0,0]=4 4683 B9R0.45 CC=CCOCCCSC 34a_100000690336_100000070051 [2,0,0,0,0,0|2,0,0]=4 4684 B9R0.45 CC=CCOCCCSC 7a_100000690336_100000070051 [2,0,0,0,0,0|2,0,0]=4 4685 B9R0.45 CC=CCOCCOCC 34a_100000210136_100000070051 [2,0,0,0,0,0|2,0,0]=4 4686 B9R0.45 CC=CCOCCOCC 7a_100000210136_100000070051 [2,0,0,0,0,0|2,0,0]=4 4687 B9R0.45 CC=CCOCCSCC 34a_100000212035_100000070051 [2,0,0,0,0,0|2,0,0]=4 4688 B9R0.45 CC=CCOCCSCC 7a_100000212035_100000070051 [2,0,0,0,0,0|2,0,0]=4 4689 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [2,0,0,0,0,0|1,0,0]=3 4690 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [2,0,0,0,0,0|1,0,0]=3 4691 B9R0.45 CC=CCSCCCCF 62a_100000070051_100000729493 [2,0,0,0,0,0|2,0,0]=4 4692 B9R0.45 CC=CCSCCCCF 62a_100000729493_100000070051 [2,0,0,0,0,0|2,0,0]=4 4693 B9R0.45 CC=CCSCCCCO 62a_100000070051_100000210776 [2,0,0,0,0,0|2,0,0]=4 4694 B9R0.45 CC=CCSCCCCO 62a_100000210776_100000070051 [2,0,0,0,0,0|2,0,0]=4 4695 B9R0.45 CC=CCSCCCOC 62a_100000070051_100000709357 [2,0,0,0,0,0|2,0,0]=4 4696 B9R0.45 CC=CCSCCCOC 62a_100000709357_100000070051 [2,0,0,0,0,0|2,0,0]=4 4697 B9R0.45 CC=CCSCCOCC 62a_100000070051_100011215890 [2,0,0,0,0,0|2,0,0]=4 4698 B9R0.45 CC=CCSCCOCC 62a_100000210147_100000070051 [2,0,0,0,0,0|2,0,0]=4 4699 B9R0.45 CC=CCSCCSCC 62a_100000070051_100000757381 [2,0,0,0,0,0|2,0,0]=4 4700 B9R0.45 CC=CCSCCSCC 62a_100000757381_100000070051 [2,0,0,0,0,0|2,0,0]=4 4701 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [2,0,0,0,0,0|1,0,0]=3 4702 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [2,0,0,0,0,0|1,0,0]=3 4703 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [2,0,0,0,0,0|1,0,0]=3 4704 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [2,0,0,0,0,0|1,0,0]=3 4705 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [2,0,0,0,0,0|1,0,0]=3 4706 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [2,0,0,0,0,0|1,0,0]=3 4707 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [2,0,0,0,0,0|1,0,0]=3 4708 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [2,0,0,0,0,0|1,0,0]=3 4709 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [2,0,0,0,0,0|1,0,0]=3 4710 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [2,0,0,0,0,0|1,0,0]=3 4711 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [2,0,0,0,0,0|1,0,0]=3 4712 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [2,0,0,0,0,0|1,0,0]=3 4713 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [2,0,0,0,0,0|1,0,0]=3 4714 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [2,0,0,0,0,0|1,0,0]=3 4715 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [2,0,0,0,0,0|1,0,0]=3 4716 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [2,0,0,0,0,0|1,0,0]=3 4717 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [2,0,0,0,0,0|1,0,1]=4 4718 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [2,0,0,0,0,0|1,0,1]=4 4719 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [2,0,0,0,0,0|1,0,1]=4 4720 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [2,0,0,0,0,0|1,0,1]=4 4721 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [2,0,0,0,0,0|1,0,1]=4 4722 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [2,0,0,0,0,0|2,0,0]=4 4723 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [2,0,0,0,0,0|2,0,0]=4 4724 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [2,0,0,0,0,0|1,0,1]=4 4725 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [2,0,0,0,0,0|1,0,1]=4 4726 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [2,0,0,0,0,0|2,0,0]=4 4727 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [2,0,0,0,0,0|2,0,0]=4 4728 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [2,0,0,0,0,0|1,0,1]=4 4729 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [2,0,0,0,0,0|1,0,1]=4 4730 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [2,0,0,0,0,0|2,0,0]=4 4731 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [2,0,0,0,0,0|2,0,0]=4 4732 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [2,0,0,0,0,0|1,0,0]=3 4733 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [2,0,0,0,0,0|1,0,0]=3 4734 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [2,0,0,0,0,0|1,0,0]=3 4735 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [2,0,0,0,0,0|2,0,0]=4 4736 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [2,0,0,0,0,0|2,0,0]=4 4737 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [2,0,0,0,0,0|1,0,1]=4 4738 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [2,0,0,0,0,0|1,0,1]=4 4739 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [2,0,0,0,0,0|2,0,0]=4 4740 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [2,0,0,0,0,0|1,0,1]=4 4741 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [2,0,0,0,0,0|1,0,1]=4 4742 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [2,0,0,0,0,0|1,0,1]=4 4743 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [2,0,0,0,0,0|2,0,0]=4 4744 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [2,0,0,0,0,0|2,0,0]=4 4745 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [2,0,0,0,0,0|2,0,0]=4 4746 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [2,0,0,0,0,0|1,0,0]=3 4747 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [2,0,0,0,0,0|1,0,0]=3 4748 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [2,0,0,0,0,0|2,0,0]=4 4749 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [2,0,0,0,0,0|1,0,1]=4 4750 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [2,0,0,0,0,0|1,0,1]=4 4751 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [2,0,0,0,0,0|1,0,1]=4 4752 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [2,0,0,0,0,0|1,0,1]=4 4753 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [2,0,0,0,0,0|2,0,0]=4 4754 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [2,0,0,0,0,0|2,0,0]=4 4755 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [2,0,0,0,0,0|1,0,0]=3 4756 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [2,0,0,0,0,0|1,0,0]=3 4757 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [2,0,0,0,0,0|2,0,0]=4 4758 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [2,0,0,0,0,0|2,0,0]=4 4759 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [2,0,0,0,0,0|2,0,0]=4 4760 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [2,0,0,0,0,0|2,0,0]=4 4761 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [2,0,0,0,0,0|1,0,1]=4 4762 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [2,0,0,0,0,0|1,0,1]=4 4763 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [2,0,0,0,0,0|1,0,1]=4 4764 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [2,0,0,0,0,0|2,0,0]=4 4765 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [2,0,0,0,0,0|2,0,0]=4 4766 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [2,0,0,0,0,0|2,0,0]=4 4767 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [2,0,0,0,0,0|1,0,0]=3 4768 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [2,0,0,0,0,0|2,0,0]=4 4769 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [2,0,0,0,0,0|2,0,0]=4 4770 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [2,0,0,0,0,0|2,0,0]=4 4771 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [2,0,0,0,0,0|2,0,0]=4 4772 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [2,0,0,0,0,0|2,0,0]=4 4773 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [2,0,0,0,0,0|2,0,0]=4 4774 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [2,0,0,0,0,0|2,0,0]=4 4775 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [2,0,0,0,0,0|1,0,1]=4 4776 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [2,0,0,0,0,0|1,0,1]=4 4777 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [2,0,0,0,0,0|1,0,1]=4 4778 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [2,0,0,0,0,0|1,0,1]=4 4779 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [2,0,0,0,0,0|2,0,0]=4 4780 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [2,0,0,0,0,0|2,0,0]=4 4781 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [2,0,0,0,0,0|2,0,0]=4 4782 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [2,0,0,0,0,0|2,0,0]=4 4783 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [2,0,0,0,0,0|2,0,0]=4 4784 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [2,0,0,0,0,0|1,0,0]=3 4785 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [2,0,0,0,0,0|1,0,0]=3 4786 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [2,0,0,0,0,0|2,0,0]=4 4787 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [2,0,0,0,0,0|2,0,0]=4 4788 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [2,0,0,0,0,0|2,0,0]=4 4789 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [2,0,0,0,0,0|2,0,0]=4 4790 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [2,0,0,0,0,0|2,0,0]=4 4791 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [2,0,0,0,0,0|2,0,0]=4 4792 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [2,0,0,0,0,0|2,0,0]=4 4793 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [2,0,0,0,0,0|2,0,0]=4 4794 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [2,0,0,0,0,0|2,0,0]=4 4795 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [2,0,0,0,0,0|2,0,0]=4 4796 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [2,0,0,0,0,0|2,0,0]=4 4797 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [2,0,0,0,0,0|1,0,1]=4 4798 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [2,0,0,0,0,0|1,0,1]=4 4799 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [2,0,0,0,0,0|2,0,0]=4 4800 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [2,0,0,0,0,0|2,0,0]=4 4801 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [2,0,0,0,0,0|1,0,0]=3 4802 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [2,0,0,0,0,0|1,0,0]=3 4803 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [2,0,0,0,0,0|2,0,0]=4 4804 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [2,0,0,0,0,0|2,0,0]=4 4805 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [2,0,0,0,0,0|2,0,0]=4 4806 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [2,0,0,0,0,0|2,0,0]=4 4807 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [2,0,0,0,0,0|1,0,1]=4 4808 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [2,0,0,0,0,0|1,0,1]=4 4809 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [2,0,0,0,0,0|2,0,0]=4 4810 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [2,0,0,0,0,0|2,0,0]=4 4811 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [2,0,0,0,0,0|1,0,0]=3 4812 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [2,0,0,0,0,0|1,0,0]=3 4813 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [2,0,0,0,0,0|1,0,0]=3 4814 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [2,0,0,0,0,0|1,0,0]=3 4815 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [2,0,0,0,0,0|2,0,0]=4 4816 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [2,0,0,0,0,0|2,0,0]=4 4817 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [2,0,0,0,0,0|2,0,0]=4 4818 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [2,0,0,0,0,0|2,0,0]=4 4819 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [2,0,0,0,0,0|1,0,1]=4 4820 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [2,0,0,0,0,0|2,0,0]=4 4821 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [2,0,0,0,0,0|2,0,0]=4 4822 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [2,0,0,0,0,0|2,0,0]=4 4823 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [2,0,0,0,0,0|2,0,0]=4 4824 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [2,0,0,0,0,0|2,0,0]=4 4825 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [2,0,0,0,0,0|2,0,0]=4 4826 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [2,0,0,0,0,0|2,0,0]=4 4827 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [2,0,0,0,0,0|2,0,0]=4 4828 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [2,0,0,0,0,0|2,0,0]=4 4829 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [2,0,0,0,0,0|1,0,0]=3 4830 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [2,0,0,0,0,0|1,0,0]=3 4831 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [2,0,0,0,0,0|2,0,0]=4 4832 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [2,0,0,0,0,0|2,0,0]=4 4833 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [2,0,0,0,0,0|2,0,0]=4 4834 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [2,0,0,0,0,0|2,0,0]=4 4835 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [2,0,0,0,0,0|2,0,0]=4 4836 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [2,0,0,0,0,0|2,0,0]=4 4837 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [2,0,0,0,0,0|2,0,0]=4 4838 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [2,0,0,0,0,0|2,0,0]=4 4839 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [2,0,0,0,0,0|2,0,0]=4 4840 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [2,0,0,0,0,0|2,0,0]=4 4841 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [2,0,0,0,0,0|2,0,0]=4 4842 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [2,0,0,0,0,0|2,0,0]=4 4843 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [2,0,0,0,0,0|2,0,0]=4 4844 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [2,0,0,0,0,0|2,0,0]=4 4845 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [2,0,0,0,0,0|2,0,0]=4 4846 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [2,0,0,0,0,0|2,0,0]=4 4847 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [2,0,0,0,0,0|2,0,0]=4 4848 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [2,0,0,0,0,0|2,0,0]=4 4849 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [2,0,0,0,0,0|1,0,1]=4 4850 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [2,0,0,0,0,0|1,0,1]=4 4851 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [2,0,0,0,0,0|2,0,0]=4 4852 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [2,0,0,0,0,0|2,0,0]=4 4853 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [2,0,0,0,0,0|1,0,0]=3 4854 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [2,0,0,0,0,0|1,0,0]=3 4855 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [2,0,0,0,0,0|2,0,0]=4 4856 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [2,0,0,0,0,0|2,0,0]=4 4857 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [2,0,0,0,0,0|1,0,0]=3 4858 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [2,0,0,0,0,0|1,0,0]=3 4859 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [2,0,0,0,0,0|2,0,0]=4 4860 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [2,0,0,0,0,0|2,0,0]=4 4861 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [2,0,0,0,0,0|2,0,0]=4 4862 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [2,0,0,0,0,0|2,0,0]=4 4863 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [2,0,0,0,0,0|2,0,0]=4 4864 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [2,0,0,0,0,0|2,0,0]=4 4865 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [2,0,0,0,0,0|2,0,0]=4 4866 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [2,0,0,0,0,0|2,0,0]=4 4867 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [2,0,0,0,0,0|2,0,0]=4 4868 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [2,0,0,0,0,0|2,0,0]=4 4869 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [2,0,0,0,0,0|2,0,0]=4 4870 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [2,0,0,0,0,0|1,0,0]=3 4871 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [2,0,0,0,0,0|2,0,0]=4 4872 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [2,0,0,0,0,0|2,0,0]=4 4873 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [2,0,0,0,0,0|2,0,0]=4 4874 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [2,0,0,0,0,0|2,0,0]=4 4875 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [2,0,0,0,0,0|2,0,0]=4 4876 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [2,0,0,0,0,0|2,0,0]=4 4877 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [2,0,0,0,0,0|2,0,0]=4 4878 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [2,0,0,0,0,0|2,0,0]=4 4879 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [2,0,0,0,0,0|2,0,0]=4 4880 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [2,0,0,0,0,0|2,0,0]=4 4881 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [2,0,0,0,0,0|2,0,0]=4 4882 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [2,0,0,0,0,0|2,0,0]=4 4883 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [2,0,0,0,0,0|2,0,0]=4 4884 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [2,0,0,0,0,0|1,0,1]=4 4885 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [2,0,0,0,0,0|1,0,1]=4 4886 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [2,0,0,0,0,0|2,0,0]=4 4887 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [2,0,0,0,0,0|2,0,0]=4 4888 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [2,0,0,0,0,0|1,0,0]=3 4889 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [2,0,0,0,0,0|1,0,0]=3 4890 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [2,0,0,0,0,0|2,0,0]=4 4891 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [2,0,0,0,0,0|2,0,0]=4 4892 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [2,0,0,0,0,0|2,0,0]=4 4893 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [2,0,0,0,0,0|2,0,0]=4 4894 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [2,0,0,0,0,0|2,0,0]=4 4895 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [2,0,0,0,0,0|2,0,0]=4 4896 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [2,0,0,0,0,0|2,0,0]=4 4897 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [2,0,0,0,0,0|1,0,1]=4 4898 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [2,0,0,0,0,0|2,0,0]=4 4899 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [2,0,0,0,0,0|1,0,0]=3 4900 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [2,0,0,0,0,0|1,0,0]=3 4901 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [2,0,0,0,0,0|1,0,0]=3 4902 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [2,0,0,0,0,0|2,0,0]=4 4903 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [2,0,0,0,0,0|2,0,0]=4 4904 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [2,0,0,0,0,0|2,0,0]=4 4905 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [2,0,0,0,0,0|2,0,0]=4 4906 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [2,0,0,0,0,0|2,0,0]=4 4907 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [2,0,0,0,0,0|2,0,0]=4 4908 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [2,0,0,0,0,0|2,0,0]=4 4909 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [2,0,0,0,0,0|2,0,0]=4 4910 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [2,0,0,0,0,0|2,0,0]=4 4911 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [2,0,0,0,0,0|2,0,0]=4 4912 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [2,0,0,0,0,0|1,0,0]=3 4913 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [2,0,0,0,0,0|2,0,0]=4 4914 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [2,0,0,0,0,0|2,0,0]=4 4915 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [2,0,0,0,0,0|2,0,0]=4 4916 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [2,0,0,0,0,0|2,0,0]=4 4917 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [2,0,0,0,0,0|2,0,0]=4 4918 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [2,0,0,0,0,0|2,0,0]=4 4919 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [2,0,0,0,0,0|2,0,0]=4 4920 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [2,0,0,0,0,0|2,0,0]=4 4921 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [2,0,0,0,0,0|2,0,0]=4 4922 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [2,0,0,0,0,0|2,0,0]=4 4923 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [2,0,0,0,0,0|2,0,0]=4 4924 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [2,0,0,0,0,0|2,0,0]=4 4925 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [2,0,0,0,0,0|2,0,0]=4 4926 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [2,0,0,0,0,0|2,0,0]=4 4927 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [2,0,0,0,0,0|2,0,0]=4 4928 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [2,0,0,0,0,0|2,0,0]=4 4929 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [2,0,0,0,0,0|2,0,0]=4 4930 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [2,0,0,0,0,0|1,0,1]=4 4931 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [2,0,0,0,0,0|1,0,1]=4 4932 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [2,0,0,0,0,0|2,0,0]=4 4933 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [2,0,0,0,0,0|2,0,0]=4 4934 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [2,0,0,0,0,0|1,0,0]=3 4935 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [2,0,0,0,0,0|1,0,0]=3 4936 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [2,0,0,0,0,0|2,0,0]=4 4937 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [2,0,0,0,0,0|2,0,0]=4 4938 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [2,0,0,0,0,0|2,0,0]=4 4939 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [2,0,0,0,0,0|2,0,0]=4 4940 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [2,0,0,0,0,0|2,0,0]=4 4941 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [2,0,0,0,0,0|2,0,0]=4 4942 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [2,0,0,0,0,0|2,0,0]=4 4943 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [2,0,0,0,0,0|1,0,0]=3 4944 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [2,0,0,0,0,0|1,0,0]=3 4945 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [2,0,0,0,0,0|1,0,0]=3 4946 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [2,0,0,0,0,0|1,0,0]=3 4947 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [2,0,0,0,0,0|1,0,0]=3 4948 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [2,0,0,0,0,0|2,0,0]=4 4949 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [2,0,0,0,0,0|2,0,0]=4 4950 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [2,0,0,0,0,0|2,0,0]=4 4951 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [2,0,0,0,0,0|2,0,0]=4 4952 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [2,0,0,0,0,0|2,0,0]=4 4953 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [2,0,0,0,0,0|2,0,0]=4 4954 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [2,0,0,0,0,0|2,0,0]=4 4955 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [2,0,0,0,0,0|2,0,0]=4 4956 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [2,0,0,0,0,0|2,0,0]=4 4957 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [2,0,0,0,0,0|1,0,0]=3 4958 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [2,0,0,0,0,0|2,0,0]=4 4959 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [2,0,0,0,0,0|2,0,0]=4 4960 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [2,0,0,0,0,0|2,0,0]=4 4961 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [2,0,0,0,0,0|2,0,0]=4 4962 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [2,0,0,0,0,0|2,0,0]=4 4963 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [2,0,0,0,0,0|2,0,0]=4 4964 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [2,0,0,0,0,0|2,0,0]=4 4965 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [2,0,0,0,0,0|2,0,0]=4 4966 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [2,0,0,0,0,0|2,0,0]=4 4967 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [2,0,0,0,0,0|2,0,0]=4 4968 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [2,0,0,0,0,0|2,0,0]=4 4969 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [2,0,0,0,0,0|2,0,0]=4 4970 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [2,0,0,0,0,0|2,0,0]=4 4971 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [2,0,0,0,0,0|2,0,0]=4 4972 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [2,0,0,0,0,0|2,0,0]=4 4973 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [2,0,0,0,0,0|2,0,0]=4 4974 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [2,0,0,0,0,0|2,0,0]=4 4975 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [2,0,0,0,0,0|2,0,0]=4 4976 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [2,0,0,0,0,0|2,0,0]=4 4977 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [2,0,0,0,0,0|2,0,0]=4 4978 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [2,0,0,0,0,0|2,0,0]=4 4979 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [2,0,0,0,0,0|2,0,0]=4 4980 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [2,0,0,0,0,0|2,0,0]=4 4981 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [2,0,0,0,0,0|2,0,0]=4 4982 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [2,0,0,0,0,0|2,0,0]=4 4983 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [2,0,0,0,0,0|2,0,0]=4 4984 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [2,0,0,0,0,0|2,0,0]=4 4985 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [2,0,0,0,0,0|1,0,0]=3 4986 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [2,0,0,0,0,0|1,0,0]=3 4987 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [2,0,0,0,0,0|2,0,0]=4 4988 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [2,0,0,0,0,0|2,0,0]=4 4989 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [2,0,0,0,0,0|2,0,0]=4 4990 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [2,0,0,0,0,0|2,0,0]=4 4991 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [2,0,0,0,0,0|2,0,0]=4 4992 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [2,0,0,0,0,0|2,0,0]=4 4993 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [2,0,0,0,0,0|2,0,0]=4 4994 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [2,0,0,0,0,0|2,0,0]=4 4995 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [2,0,0,0,0,0|2,0,0]=4 4996 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [2,0,0,0,0,0|2,0,0]=4 4997 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [2,0,0,0,0,0|2,0,0]=4 4998 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [2,0,0,0,0,0|2,0,0]=4 4999 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [2,0,0,0,0,0|2,0,0]=4 5000 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [2,0,0,0,0,0|2,0,0]=4 5001 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [2,0,0,0,0,0|2,0,0]=4 5002 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [2,0,0,0,0,0|2,0,0]=4 5003 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [2,0,0,0,0,0|2,0,0]=4 5004 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [2,0,0,0,0,0|2,0,0]=4 5005 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [2,0,0,0,0,0|2,0,0]=4 5006 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [2,0,0,0,0,0|2,0,0]=4 5007 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [2,0,0,0,0,0|2,0,0]=4 5008 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [2,0,0,0,0,0|2,0,0]=4 5009 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [2,0,0,0,0,0|2,0,0]=4 5010 B9R0.45 OCCCCCNCCF 2230a_100000762737_100011217306 [2,0,0,0,0,0|2,0,0]=4 5011 B9R0.45 OCCCCCNCCF 34a_100000724931_100000746330 [2,0,0,0,0,0|2,0,0]=4 5012 B9R0.45 OCCCCCNCCF 34a_100000762737_100011217306 [2,0,0,0,0,0|2,0,0]=4 5013 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [2,0,0,0,0,0|2,0,0]=4 5014 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [2,0,0,0,0,0|2,0,0]=4 5015 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [2,0,0,0,0,0|2,0,0]=4 5016 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [2,0,0,0,0,0|2,0,0]=4 5017 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [2,0,0,0,0,0|2,0,0]=4 5018 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [2,0,0,0,0,0|2,0,0]=4 5019 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [2,0,0,0,0,0|2,0,0]=4 5020 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [2,0,0,0,0,0|2,0,0]=4 5021 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [2,0,0,0,0,0|2,0,0]=4 5022 B9R0.45 OCCCCNCCCF 2230a_100000750430_100011934791 [2,0,0,0,0,0|2,0,0]=4 5023 B9R0.45 OCCCCNCCCF 2230a_100015189416_100000210776 [2,0,0,0,0,0|2,0,0]=4 5024 B9R0.45 OCCCCNCCCF 34a_100000750430_100011934791 [2,0,0,0,0,0|2,0,0]=4 5025 B9R0.45 OCCCCNCCCF 34a_100015189416_100011216708 [2,0,0,0,0,0|2,0,0]=4 5026 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [2,0,0,0,0,0|2,0,0]=4 5027 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [2,0,0,0,0,0|2,0,0]=4 5028 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [2,0,0,0,0,0|2,0,0]=4 5029 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [2,0,0,0,0,0|2,0,0]=4 5030 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [2,0,0,0,0,0|2,0,0]=4 5031 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [2,0,0,0,0,0|2,0,0]=4 5032 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [2,0,0,0,0,0|2,0,0]=4 5033 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [2,0,0,0,0,0|2,0,0]=4 5034 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [2,0,0,0,0,0|2,0,0]=4 5035 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [2,0,0,0,0,0|2,0,0]=4 5036 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [2,0,0,0,0,0|2,0,0]=4 5037 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [2,0,0,0,0,0|2,0,0]=4 5038 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [2,0,0,0,0,0|2,0,0]=4 5039 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [2,0,0,0,0,0|2,0,0]=4 5040 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [2,0,0,0,0,0|2,0,0]=4 5041 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [2,0,0,0,0,0|2,0,0]=4 5042 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [2,0,0,0,0,0|2,0,0]=4 5043 B9R0.45 OCCNCCCCCF 2230a_100016997473_100000729378 [2,0,0,0,0,0|2,0,0]=4 5044 B9R0.45 OCCNCCCCCF 34a_100016990907_100000729378 [2,0,0,0,0,0|2,0,0]=4 5045 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [2,0,0,0,0,0|2,0,0]=4 5046 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [2,0,0,0,0,0|2,0,0]=4 5047 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [2,0,0,0,0,0|2,0,0]=4 5048 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [2,0,0,0,0,0|2,0,0]=4 5049 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [2,0,0,0,0,0|2,0,0]=4 5050 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [2,0,0,0,0,0|2,0,0]=4 5051 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [2,0,0,0,0,0|2,0,0]=4 5052 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [2,0,0,0,0,0|2,0,0]=4 5053 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [2,0,0,0,0,0|1,0,0]=3 5054 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [2,0,0,0,0,0|1,0,0]=3 5055 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [2,0,0,0,0,0|2,0,0]=4 5056 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [2,0,0,0,0,0|2,0,0]=4 5057 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [2,0,0,0,0,0|2,0,0]=4 5058 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [2,0,0,0,0,0|2,0,0]=4 5059 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [2,0,0,0,0,0|2,0,0]=4 5060 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [2,0,0,0,0,0|1,0,0]=3 5061 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [2,0,0,0,0,0|1,0,0]=3 5062 B11R0.4 C/C=C/C(C)OCCCCCC 34a_200102604097_100000210314 [1,1,0,0,0,0|1,0,0]=3 5063 B11R0.4 C/C=C/C(C)OCCCCCF 34a_200102604097_100000729378 [1,1,0,0,0,0|2,0,0]=4 5064 B11R0.4 C/C=C/C(C)OCCCCCO 34a_200102604097_100000746330 [1,1,0,0,0,0|2,0,0]=4 5065 B11R0.4 C/C=C/C(C)OCCCCOC 34a_200102604097_100000755781 [1,1,0,0,0,0|2,0,0]=4 5066 B11R0.4 C/C=C/C(C)OCCCOCC 34a_200102604097_100012232248 [1,1,0,0,0,0|2,0,0]=4 5067 B11R0.4 C/C=C/C(C)OCCOCCC 34a_200102604097_100011215938 [1,1,0,0,0,0|2,0,0]=4 5068 B11R0.4 C/C=C/C(C)OCOCCCC 34a_200102604097_100011995733 [1,1,0,0,0,0|2,0,0]=4 5069 B11R0.4 C/C=C/CCOCC(C)CCC 34a_100016278192_100011216630 [1,1,0,0,0,0|1,0,0]=3 5070 B11R0.4 C/C=C/CCOCC(O)COC 34a_100016278192_100011215053 [1,1,0,0,0,0|2,0,0]=4 5071 B11R0.4 C/C=C/COCCC(C)CCC 34a_100011217855_100102629194 [1,1,0,0,0,0|1,0,0]=3 5072 B11R0.4 C/C=C/COCCC(C)CCC 7a_100011217855_100102629194 [1,1,0,0,0,0|1,0,0]=3 5073 B11R0.4 C/C=C/COCC[C@@H](N)CCC 34a_100015193777_100102629194 [1,1,0,0,0,0|1,0,0]=3 5074 B11R0.4 CC/C=C\CCNC(C)CCC 2230a_100000741246_100015370543 [1,1,0,0,0,0|2,0,0]=4 5075 B11R0.4 CC/C=C\CCOC(C)CCC 34a_100000764384_100015370543 [1,1,0,0,0,0|2,0,0]=4 5076 B11R0.4 CC/C=C\CCOC(C)CCC 34a_100016288707_100000766640 [1,1,0,0,0,0|2,0,0]=4 5077 B11R0.4 CC/C=C\CCOC(C)CCC 7a_100000764384_100015370543 [1,1,0,0,0,0|2,0,0]=4 5078 B11R0.4 CC/C=C\CCOC(C)CCC 7a_100016288707_100000766640 [1,1,0,0,0,0|2,0,0]=4 5079 B11R0.4 CC/C=C\CCSC(C)CCC 62a_100000766640_100015370543 [1,1,0,0,0,0|2,0,0]=4 5080 B11R0.4 CC/C=C\CCSC(C)CCC 62a_100015370543_100000766640 [1,1,0,0,0,0|2,0,0]=4 5081 B11R0.4 CC/C=C\COCC(C)CCC 34a_100000688023_100103147603 [1,1,0,0,0,0|2,0,0]=4 5082 B11R0.4 CC/C=C\COCC(C)CCC 34a_100016268518_100011216630 [1,1,0,0,0,0|2,0,0]=4 5083 B11R0.4 CC/C=C\COCC(C)CCC 7a_100000688023_100103147603 [1,1,0,0,0,0|2,0,0]=4 5084 B11R0.4 CC/C=C\COC[C@@H](N)CCC 34a_100000732646_100103147603 [1,1,0,0,0,0|2,0,0]=4 5085 B11R0.4 CC/C=C\CSCC(C)CCC 62a_100011216630_100103147603 [1,1,0,0,0,0|2,0,0]=4 5086 B11R0.4 CC/C=C\CSCC(C)CCC 62a_100103147603_100011216630 [1,1,0,0,0,0|2,0,0]=4 5087 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [1,1,0,0,0,0|0,0,1]=3 5088 B11R0.4 CC=CC(=O)CCCCCCF 1458a_100000210699_100015922095 [1,1,0,0,0,0|1,0,1]=4 5089 B11R0.4 CC=CC(=O)CCCCCCO 1458a_100000210699_100000766143 [1,1,0,0,0,0|1,0,1]=4 5090 B11R0.4 CC=CC(=O)CCOCCCC 1458a_100000210699_100000743108 [1,1,0,0,0,0|1,0,1]=4 5091 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [1,1,0,0,0,0|1,0,1]=4 5092 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [1,1,0,0,0,0|1,0,1]=4 5093 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [1,1,0,0,0,0|1,0,1]=4 5094 B11R0.4 CC=CCCCOC(C)CCC 34a_100020645299_100000766640 [1,1,0,0,0,0|1,0,0]=3 5095 B11R0.4 CC=CCCCOC(C)CCO 34a_100020645299_100009893172 [1,1,0,0,0,0|2,0,0]=4 5096 B11R0.4 CC=CCCCOC(C)COC 34a_100020645299_100000765312 [1,1,0,0,0,0|2,0,0]=4 5097 B11R0.4 CC=CCOCCC(C)CCC 34a_100011217855_100000070051 [1,1,0,0,0,0|1,0,0]=3 5098 B11R0.4 CC=CCOCCC(C)CCC 7a_100011217855_100000070051 [1,1,0,0,0,0|1,0,0]=3 5099 B11R0.4 CC=CCOCC[C@@H](N)CCC 34a_100015193777_100000070051 [1,1,0,0,0,0|1,0,0]=3 5100 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [1,1,0,0,0,0|0,0,2]=4 5101 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [1,1,0,0,0,0|0,0,2]=4 5102 B11R0.4 CCCC(C)CCCOCCO 34a_100011713154_100000211926 [1,1,0,0,0,0|1,0,1]=4 5103 B11R0.4 CCCC(C)CCCOCCO 7a_100011713154_100000211926 [1,1,0,0,0,0|1,0,1]=4 5104 B11R0.4 CCCC(C)CCOCCCO 34a_100011217855_100000230001 [1,1,0,0,0,0|1,0,1]=4 5105 B11R0.4 CCCC(C)CCOCCCO 7a_100011217855_100011215043 [1,1,0,0,0,0|1,0,1]=4 5106 B11R0.4 CCCC(C)CNCCCCO 2230a_100000750430_100011216630 [1,1,0,0,0,0|1,0,1]=4 5107 B11R0.4 CCCC(C)CNCCCCO 270004a_100000750430_100000243154 [1,1,0,0,0,0|1,0,1]=4 5108 B11R0.4 CCCC(C)CNCCCCO 34a_100000750430_100011216630 [1,1,0,0,0,0|1,0,1]=4 5109 B11R0.4 CCCC(C)COCCCCO 34a_100000688023_100011216708 [1,1,0,0,0,0|1,0,1]=4 5110 B11R0.4 CCCC(C)COCCCCO 7a_100000688023_100000210776 [1,1,0,0,0,0|1,0,1]=4 5111 B11R0.4 CCCC(C)CSCCCCO 62a_100000210776_100011216630 [1,1,0,0,0,0|1,0,1]=4 5112 B11R0.4 CCCC(C)CSCCCCO 62a_100011216630_100000210776 [1,1,0,0,0,0|1,0,1]=4 5113 B11R0.4 CCCC(C)NCCCCCO 2230a_100000741246_100000746330 [1,1,0,0,0,0|1,0,1]=4 5114 B11R0.4 CCCC(C)NCCCCCO 2230a_100000762737_100000766640 [1,1,0,0,0,0|1,0,1]=4 5115 B11R0.4 CCCC(C)NCCCCCO 270004a_100000762737_100000211909 [1,1,0,0,0,0|1,0,1]=4 5116 B11R0.4 CCCC(C)NCCCCCO 34a_100000762737_100000766640 [1,1,0,0,0,0|1,0,1]=4 5117 B11R0.4 CCCC(C)OCCCCCO 34a_100000764384_100000746330 [1,1,0,0,0,0|1,0,1]=4 5118 B11R0.4 CCCC(C)OCCCCCO 7a_100000764384_100000746330 [1,1,0,0,0,0|1,0,1]=4 5119 B11R0.4 CCCC(C)SCCCCCO 62a_100000746330_100000766640 [1,1,0,0,0,0|1,0,1]=4 5120 B11R0.4 CCCC(C)SCCCCCO 62a_100000766640_100000746330 [1,1,0,0,0,0|1,0,1]=4 5121 B11R0.4 CCCCCCCC(=O)C=CBr 1458a_100016273825_100000210614 [1,1,0,0,0,0|1,0,1]=4 5122 B11R0.4 CCCCCCCC(=O)C=CCl 1458a_200016279998_100000210614 [1,1,0,0,0,0|1,0,1]=4 5123 B11R0.4 CCCCCCCC(=O)C=CI 1458a_100016256311_100000210614 [1,1,0,0,0,0|1,0,1]=4 5124 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [1,1,0,0,0,0|1,0,1]=4 5125 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [1,1,0,0,0,0|1,0,1]=4 5126 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [1,1,0,0,0,0|1,0,1]=4 5127 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [1,1,0,0,0,0|0,0,1]=3 5128 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [1,1,0,0,0,0|0,0,1]=3 5129 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [1,1,0,0,0,0|2,0,0]=4 5130 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [1,1,0,0,0,0|2,0,0]=4 5131 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [1,1,0,0,0,0|2,0,0]=4 5132 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [1,1,0,0,0,0|1,0,1]=4 5133 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [1,1,0,0,0,0|1,0,1]=4 5134 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [1,1,0,0,0,0|1,0,1]=4 5135 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [1,1,0,0,0,0|1,0,1]=4 5136 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [1,1,0,0,0,0|1,0,1]=4 5137 B11R0.4 CCCCCCCC(C)OCF 34a_200011215852_100015361967 [1,1,0,0,0,0|2,0,0]=4 5138 B11R0.4 CCCCCCCC(C)OCF 7a_200011215852_100015361967 [1,1,0,0,0,0|2,0,0]=4 5139 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [1,1,0,0,0,0|1,0,1]=4 5140 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [1,1,0,0,0,0|1,0,1]=4 5141 B11R0.4 CCCCCCCC(C)SCF 62a_100015361967_200011218727 [1,1,0,0,0,0|2,0,0]=4 5142 B11R0.4 CCCCCCCC(C)SCF 62a_200011218727_100015361967 [1,1,0,0,0,0|2,0,0]=4 5143 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [1,1,0,0,0,0|1,0,1]=4 5144 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [1,1,0,0,0,0|1,0,1]=4 5145 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [1,1,0,0,0,0|1,0,1]=4 5146 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [1,1,0,0,0,0|1,0,1]=4 5147 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [1,1,0,0,0,0|1,0,1]=4 5148 B11R0.4 CCCCCCNC(C)CCO 2230a_100000210581_100009893172 [1,1,0,0,0,0|1,0,1]=4 5149 B11R0.4 CCCCCCN[C@H](C)CCO 2230a_100000706166_100000210314 [1,1,0,0,0,0|1,0,1]=4 5150 B11R0.4 CCCCCCN[C@H](C)CCO 34a_100000706166_100000210314 [1,1,0,0,0,0|1,0,1]=4 5151 B11R0.4 CCCCCCOC(C)CCO 34a_100000210259_100009893172 [1,1,0,0,0,0|1,0,1]=4 5152 B11R0.4 CCCCCCOC(C)CCO 7a_100000210259_100009893172 [1,1,0,0,0,0|1,0,1]=4 5153 B11R0.4 CCCCCCSC(C)CCO 62a_100000210314_100009893172 [1,1,0,0,0,0|1,0,1]=4 5154 B11R0.4 CCCCCCSC(C)CCO 62a_100009893172_100000210757 [1,1,0,0,0,0|1,0,1]=4 5155 B11R0.4 CCCCCNCC(=O)NCO 2230a_100000209983_100000185155 [1,1,0,0,0,0|2,0,0]=4 5156 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [1,1,0,0,0,0|2,0,0]=4 5157 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [1,1,0,0,0,0|2,0,0]=4 5158 B11R0.4 CCCCCSCC(=O)NCO 62a_100000185155_100000210326 [1,1,0,0,0,0|2,0,0]=4 5159 B11R0.4 CCCCCSCC(=O)NCO 62a_100000210326_100000185155 [1,1,0,0,0,0|2,0,0]=4 5160 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [1,1,0,0,0,0|1,0,1]=4 5161 B11R0.4 CCCN(C)CCCCCCO 2230a_100000747261_100000766143 [1,1,0,0,0,0|1,0,1]=4 5162 B11R0.4 CCCN(C)CCCCCCO 269982a_100000747261_100000766143 [1,1,0,0,0,0|1,0,1]=4 5163 B11R0.4 CCC[C@H](N)CCOCCCO 34a_100015193777_100000230001 [1,1,0,0,0,0|1,0,1]=4 5164 B11R0.4 CCC[C@H](N)COCCCCO 34a_100000732646_100011216708 [1,1,0,0,0,0|1,0,1]=4 5165 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [1,1,0,0,0,0|1,0,1]=4 5166 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [1,1,0,0,0,0|1,0,1]=4 5167 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [1,1,0,0,0,0|1,0,1]=4 5168 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [1,1,0,0,0,0|1,0,1]=4 5169 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [1,1,0,0,0,0|0,0,2]=4 5170 B11R0.40 C#CCCCCCCC(=O)CO 1458a_100000210174_100012276617 [1,1,0,0,0,0|0,0,2]=4 5171 B11R0.40 C/C=C/COCCCC(C)CC 7a_100011216074_100102629194 [1,1,0,0,0,0|1,0,0]=3 5172 B11R0.40 C/C=C/COCCC[C@@H](C)CN 34a_100160569302_100102629194 [1,1,0,0,0,0|2,0,0]=4 5173 B11R0.40 C/C=C/CSCCCN(C)CC 62a_100102629194_100015186262 [1,1,0,0,0,0|2,0,0]=4 5174 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [1,1,0,0,0,0|0,0,1]=3 5175 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [1,1,0,0,0,0|1,0,1]=4 5176 B11R0.40 C=CC(=O)CCCCCCOC 1458a_100000185746_100011998445 [1,1,0,0,0,0|1,0,1]=4 5177 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [1,1,0,0,0,0|1,0,1]=4 5178 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [1,1,0,0,0,0|1,0,1]=4 5179 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [1,1,0,0,0,0|0,0,2]=4 5180 B11R0.40 CC/C=C/CCCOC(C)CC 34a_100016287902_100011215416 [1,1,0,0,0,0|2,0,0]=4 5181 B11R0.40 CC/C=C/CCCOC(C)CC 7a_100016287902_100000758301 [1,1,0,0,0,0|2,0,0]=4 5182 B11R0.40 CC/C=C\CCNCC(C)CC 2230a_100020588543_100015370543 [1,1,0,0,0,0|2,0,0]=4 5183 B11R0.40 CC/C=C\CCNCC(O)CC 2230a_100011218483_100015370543 [1,1,0,0,0,0|2,0,0]=4 5184 B11R0.40 CC/C=C\CCOCC(C)CC 34a_100016288707_100000748023 [1,1,0,0,0,0|2,0,0]=4 5185 B11R0.40 CC/C=C\CCOCC(C)CC 7a_100016288707_100000748023 [1,1,0,0,0,0|2,0,0]=4 5186 B11R0.40 CC/C=C\CCOCC(O)CC 34a_100016288707_100011218378 [1,1,0,0,0,0|2,0,0]=4 5187 B11R0.40 CC/C=C\CCOCC(O)CC 7a_100016288707_100011218378 [1,1,0,0,0,0|2,0,0]=4 5188 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 34a_100016288707_100009816398 [1,1,0,0,0,0|2,0,0]=4 5189 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 7a_100009816381_100015370543 [1,1,0,0,0,0|2,0,0]=4 5190 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 7a_100016288707_100009816398 [1,1,0,0,0,0|2,0,0]=4 5191 B11R0.40 CC/C=C\CCSCC(C)CC 62a_100000748023_100015370543 [1,1,0,0,0,0|2,0,0]=4 5192 B11R0.40 CC/C=C\CCSCC(C)CC 62a_100015370543_100000748023 [1,1,0,0,0,0|2,0,0]=4 5193 B11R0.40 CC/C=C\CCSCC(O)CC 62a_100011218378_100015370543 [1,1,0,0,0,0|2,0,0]=4 5194 B11R0.40 CC/C=C\CCSCC(O)CC 62a_100015370543_100011218378 [1,1,0,0,0,0|2,0,0]=4 5195 B11R0.40 CC/C=C\CCSC[C@@H](C)CC 62a_100009816398_100015370543 [1,1,0,0,0,0|2,0,0]=4 5196 B11R0.40 CC/C=C\CCSC[C@@H](C)CC 62a_100015370543_100009816398 [1,1,0,0,0,0|2,0,0]=4 5197 B11R0.40 CC/C=C\CNCCC(C)CC 2230a_100020591266_100103147603 [1,1,0,0,0,0|2,0,0]=4 5198 B11R0.40 CC/C=C\COCCC(C)CC 7a_100011215188_100103147603 [1,1,0,0,0,0|2,0,0]=4 5199 B11R0.40 CC=CCCCOCC(C)CC 34a_100020645299_100000748023 [1,1,0,0,0,0|1,0,0]=3 5200 B11R0.40 CC=CCCCOCC(O)CC 34a_100020645299_100011218378 [1,1,0,0,0,0|1,0,0]=3 5201 B11R0.40 CC=CCCCOCC(O)CO 34a_100020645299_100011219619 [1,1,0,0,0,0|2,0,0]=4 5202 B11R0.40 CC=CCCCOC[C@@H](C)CC 34a_100020645299_100009816398 [1,1,0,0,0,0|1,0,0]=3 5203 B11R0.40 CC=CCCCOC[C@@H](C)CO 34a_100020645299_100000059175 [1,1,0,0,0,0|2,0,0]=4 5204 B11R0.40 CC=CCCCOC[C@@H](O)CF 34a_100020645299_100015614560 [1,1,0,0,0,0|2,0,0]=4 5205 B11R0.40 CC=CCCCOC[C@@H](O)CO 34a_100020645299_100009815848 [1,1,0,0,0,0|2,0,0]=4 5206 B11R0.40 CC=CCOCCCC(C)CC 7a_100011216074_100000070051 [1,1,0,0,0,0|1,0,0]=3 5207 B11R0.40 CC=CCOCCC[C@@H](C)CN 34a_100160569302_100000070051 [1,1,0,0,0,0|2,0,0]=4 5208 B11R0.40 CC=CCSCCCN(C)CC 62a_100000070051_100015186262 [1,1,0,0,0,0|2,0,0]=4 5209 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [1,1,0,0,0,0|0,0,2]=4 5210 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [1,1,0,0,0,0|0,0,2]=4 5211 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [1,1,0,0,0,0|1,0,1]=4 5212 B11R0.40 CCC(C)CCCCCOCF 7a_200000035636_100015361967 [1,1,0,0,0,0|2,0,0]=4 5213 B11R0.40 CCC(C)CCCOCCCO 7a_100011216074_100011215043 [1,1,0,0,0,0|1,0,1]=4 5214 B11R0.40 CCC(C)CCNCCCCO 2230a_100020591266_100000210776 [1,1,0,0,0,0|1,0,1]=4 5215 B11R0.40 CCC(C)CCOCCCCO 7a_100011215188_100000210776 [1,1,0,0,0,0|1,0,1]=4 5216 B11R0.40 CCC(C)CNCCCCCO 2230a_100000762737_100000748023 [1,1,0,0,0,0|1,0,1]=4 5217 B11R0.40 CCC(C)CNCCCCCO 2230a_100020588543_100000746330 [1,1,0,0,0,0|1,0,1]=4 5218 B11R0.40 CCC(C)CNCCCCCO 270004a_100000762737_100000243153 [1,1,0,0,0,0|1,0,1]=4 5219 B11R0.40 CCC(C)CNCCCCCO 34a_100000762737_100000748023 [1,1,0,0,0,0|1,0,1]=4 5220 B11R0.40 CCC(C)CSCCCCCO 62a_100000746330_100000748023 [1,1,0,0,0,0|1,0,1]=4 5221 B11R0.40 CCC(C)CSCCCCCO 62a_100000748023_100000746330 [1,1,0,0,0,0|1,0,1]=4 5222 B11R0.40 CCC(C)NCCCCCCO 2230a_100000209981_100000766143 [1,1,0,0,0,0|1,0,1]=4 5223 B11R0.40 CCC(C)NCCCCCCO 2230a_100000686447_100000758301 [1,1,0,0,0,0|1,0,1]=4 5224 B11R0.40 CCC(C)NCCCCCCO 34a_100000686447_100011215416 [1,1,0,0,0,0|1,0,1]=4 5225 B11R0.40 CCC(C)OCCCCCCO 7a_100000210228_100000766143 [1,1,0,0,0,0|1,0,1]=4 5226 B11R0.40 CCC(C)SCCCCCCO 62a_100000758301_100000766143 [1,1,0,0,0,0|1,0,1]=4 5227 B11R0.40 CCC(C)SCCCCCCO 62a_100000766143_100000758301 [1,1,0,0,0,0|1,0,1]=4 5228 B11R0.40 CCC(O)CNCCCCCO 2230a_100000762737_100011218378 [1,1,0,0,0,0|1,0,1]=4 5229 B11R0.40 CCC(O)CNCCCCCO 2230a_100011218483_100000746330 [1,1,0,0,0,0|1,0,1]=4 5230 B11R0.40 CCC(O)CNCCCCCO 34a_100000762737_100011218378 [1,1,0,0,0,0|1,0,1]=4 5231 B11R0.40 CCC(O)CSCCCCCO 62a_100000746330_100011218378 [1,1,0,0,0,0|1,0,1]=4 5232 B11R0.40 CCC(O)CSCCCCCO 62a_100011218378_100000746330 [1,1,0,0,0,0|1,0,1]=4 5233 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [1,1,0,0,0,0|0,0,2]=4 5234 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [1,1,0,0,0,0|1,0,1]=4 5235 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [1,1,0,0,0,0|1,0,1]=4 5236 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [1,1,0,0,0,0|0,0,1]=3 5237 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [1,1,0,0,0,0|0,0,1]=3 5238 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [1,1,0,0,0,0|1,0,0]=3 5239 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [1,1,0,0,0,0|0,0,0]=2 5240 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [1,1,0,0,0,0|1,0,0]=3 5241 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [1,1,0,0,0,0|1,0,0]=3 5242 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [1,1,0,0,0,0|1,0,0]=3 5243 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [1,1,0,0,0,0|1,0,0]=3 5244 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [1,1,0,0,0,0|1,0,1]=4 5245 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [1,1,0,0,0,0|1,0,1]=4 5246 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [1,1,0,0,0,0|1,0,1]=4 5247 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [1,1,0,0,0,0|1,0,1]=4 5248 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [1,1,0,0,0,0|1,0,1]=4 5249 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [1,1,0,0,0,0|1,0,1]=4 5250 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [1,1,0,0,0,0|1,0,1]=4 5251 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [1,1,0,0,0,0|1,0,1]=4 5252 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [1,1,0,0,0,0|1,0,1]=4 5253 B11R0.40 CCCCCCCCN(C)CF 269982a_100000207567_100015361967 [1,1,0,0,0,0|2,0,0]=4 5254 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [1,1,0,0,0,0|1,0,1]=4 5255 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [1,1,0,0,0,0|1,0,1]=4 5256 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [1,1,0,0,0,0|1,0,1]=4 5257 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [1,1,0,0,0,0|1,0,1]=4 5258 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [1,1,0,0,0,0|1,0,0]=3 5259 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [1,1,0,0,0,0|1,0,0]=3 5260 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [1,1,0,0,0,0|2,0,0]=4 5261 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [1,1,0,0,0,0|2,0,0]=4 5262 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [1,1,0,0,0,0|2,0,0]=4 5263 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [1,1,0,0,0,0|2,0,0]=4 5264 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [1,1,0,0,0,0|2,0,0]=4 5265 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [1,1,0,0,0,0|2,0,0]=4 5266 B11R0.40 CCCCCCCNC(C)CO 2230a_100000229938_100012180447 [1,1,0,0,0,0|1,0,1]=4 5267 B11R0.40 CCCCCCCN[C@H](C)CO 2230a_100000737577_100000210681 [1,1,0,0,0,0|1,0,1]=4 5268 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [1,1,0,0,0,0|1,0,1]=4 5269 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [1,1,0,0,0,0|1,0,1]=4 5270 B11R0.40 CCCCCCCSC(C)CO 62a_100012180447_100000210316 [1,1,0,0,0,0|1,0,1]=4 5271 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100000210614_100016084084 [1,1,0,0,0,0|1,0,1]=4 5272 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100016084084_100000210316 [1,1,0,0,0,0|1,0,1]=4 5273 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [1,1,0,0,0,0|2,0,0]=4 5274 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [1,1,0,0,0,0|2,0,0]=4 5275 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [1,1,0,0,0,0|2,0,0]=4 5276 B11R0.40 CCCCCCNCC(C)CO 34a_100000744482_100000210314 [1,1,0,0,0,0|1,0,1]=4 5277 B11R0.40 CCCCCCNCC(O)CO 2230a_100000210581_100011219619 [1,1,0,0,0,0|1,0,1]=4 5278 B11R0.40 CCCCCCNC[C@@H](C)CO 2230a_100000210581_100000059175 [1,1,0,0,0,0|1,0,1]=4 5279 B11R0.40 CCCCCCNC[C@@H](F)CO 34a_100015665980_100000210314 [1,1,0,0,0,0|1,0,1]=4 5280 B11R0.40 CCCCCCNC[C@@H](O)CO 2230a_100000210581_100009815848 [1,1,0,0,0,0|1,0,1]=4 5281 B11R0.40 CCCCCCNC[C@H](O)CO 2230a_100020644852_100000210314 [1,1,0,0,0,0|1,0,1]=4 5282 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [1,1,0,0,0,0|1,0,1]=4 5283 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [1,1,0,0,0,0|1,0,1]=4 5284 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [1,1,0,0,0,0|2,0,0]=4 5285 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [1,1,0,0,0,0|2,0,0]=4 5286 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [1,1,0,0,0,0|2,0,0]=4 5287 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [1,1,0,0,0,0|2,0,0]=4 5288 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [1,1,0,0,0,0|2,0,0]=4 5289 B11R0.40 CCCCCCOCC(O)CO 34a_100000210259_100011219619 [1,1,0,0,0,0|1,0,1]=4 5290 B11R0.40 CCCCCCOCC(O)CO 7a_100000210259_100011219619 [1,1,0,0,0,0|1,0,1]=4 5291 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [1,1,0,0,0,0|1,0,1]=4 5292 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [1,1,0,0,0,0|1,0,1]=4 5293 B11R0.40 CCCCCCOC[C@@H](O)CO 34a_100000210259_100009815848 [1,1,0,0,0,0|1,0,1]=4 5294 B11R0.40 CCCCCCOC[C@@H](O)CO 7a_100000210259_100009815848 [1,1,0,0,0,0|1,0,1]=4 5295 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [1,1,0,0,0,0|1,0,1]=4 5296 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [1,1,0,0,0,0|1,0,1]=4 5297 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [1,1,0,0,0,0|2,0,0]=4 5298 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [1,1,0,0,0,0|2,0,0]=4 5299 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [1,1,0,0,0,0|2,0,0]=4 5300 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [1,1,0,0,0,0|2,0,0]=4 5301 B11R0.40 CCCCCCSCC(O)CO 62a_100000210314_100011219619 [1,1,0,0,0,0|1,0,1]=4 5302 B11R0.40 CCCCCCSCC(O)CO 62a_100011219619_100000210757 [1,1,0,0,0,0|1,0,1]=4 5303 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000059175_100000210757 [1,1,0,0,0,0|1,0,1]=4 5304 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000210314_100000059175 [1,1,0,0,0,0|1,0,1]=4 5305 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100000210314_100009815848 [1,1,0,0,0,0|1,0,1]=4 5306 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100009815848_100000210757 [1,1,0,0,0,0|1,0,1]=4 5307 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [1,1,0,0,0,0|2,0,0]=4 5308 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [1,1,0,0,0,0|2,0,0]=4 5309 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [1,1,0,0,0,0|2,0,0]=4 5310 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [1,1,0,0,0,0|2,0,0]=4 5311 B11R0.40 CCCCCNCCC(C)CO 2230a_106354213184_100000210326 [1,1,0,0,0,0|1,0,1]=4 5312 B11R0.40 CCCCCNCCC(C)CO 34a_106354213184_100000718602 [1,1,0,0,0,0|1,0,1]=4 5313 B11R0.40 CCCCCOCCC(=NO)N 34a_100000749954_100000718602 [1,1,0,0,0,0|2,0,0]=4 5314 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [1,1,0,0,0,0|2,0,0]=4 5315 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [1,1,0,0,0,0|2,0,0]=4 5316 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [1,1,0,0,0,0|2,0,0]=4 5317 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [1,1,0,0,0,0|2,0,0]=4 5318 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [1,1,0,0,0,0|2,0,0]=4 5319 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [1,1,0,0,0,0|2,0,0]=4 5320 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [1,1,0,0,0,0|2,0,0]=4 5321 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [1,1,0,0,0,0|2,0,0]=4 5322 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [1,1,0,0,0,0|2,0,0]=4 5323 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [1,1,0,0,0,0|2,0,0]=4 5324 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [1,1,0,0,0,0|2,0,0]=4 5325 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [1,1,0,0,0,0|2,0,0]=4 5326 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [1,1,0,0,0,0|2,0,0]=4 5327 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [1,1,0,0,0,0|2,0,0]=4 5328 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [1,1,0,0,0,0|2,0,0]=4 5329 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [1,1,0,0,0,0|2,0,0]=4 5330 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [1,1,0,0,0,0|2,0,0]=4 5331 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [1,1,0,0,0,0|2,0,0]=4 5332 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [1,1,0,0,0,0|2,0,0]=4 5333 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [1,1,0,0,0,0|2,0,0]=4 5334 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [1,1,0,0,0,0|2,0,0]=4 5335 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [1,1,0,0,0,0|2,0,0]=4 5336 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [1,1,0,0,0,0|2,0,0]=4 5337 B11R0.40 CCCCSCCNC(=O)CO 240690a_100025743550_100000210174 [1,1,0,0,0,0|2,0,0]=4 5338 B11R0.40 CCCCSCCNC(=O)CO 527a_100025743550_100000210174 [1,1,0,0,0,0|2,0,0]=4 5339 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [1,1,0,0,0,0|2,0,0]=4 5340 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [1,1,0,0,0,0|2,0,0]=4 5341 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [1,1,0,0,0,0|2,0,0]=4 5342 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [1,1,0,0,0,0|2,0,0]=4 5343 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [1,1,0,0,0,0|2,0,0]=4 5344 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [1,1,0,0,0,0|2,0,0]=4 5345 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [1,1,0,0,0,0|2,0,0]=4 5346 B11R0.40 CCN(C)CCCCCCCO 2230a_100000225621_100000760002 [1,1,0,0,0,0|1,0,1]=4 5347 B11R0.40 CCN(C)CCCCCCCO 269982a_100000225621_100000760002 [1,1,0,0,0,0|1,0,1]=4 5348 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [1,1,0,0,0,0|2,0,0]=4 5349 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [1,1,0,0,0,0|2,0,0]=4 5350 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [1,1,0,0,0,0|2,0,0]=4 5351 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [1,1,0,0,0,0|2,0,0]=4 5352 B11R0.40 CCOCCCCCC(C)CC 7a_200000035636_100000210202 [1,1,0,0,0,0|1,0,1]=4 5353 B11R0.40 CCOCCOCCC(=O)CO 1458a_100000210174_100011211534 [1,1,0,0,0,0|2,0,0]=4 5354 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [1,1,0,0,0,0|2,0,0]=4 5355 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [1,1,0,0,0,0|2,0,0]=4 5356 B11R0.40 CC[C@H](C)CNCCCCCO 2230a_100000762737_100009816398 [1,1,0,0,0,0|1,0,1]=4 5357 B11R0.40 CC[C@H](C)CNCCCCCO 34a_100000762737_100009816398 [1,1,0,0,0,0|1,0,1]=4 5358 B11R0.40 CC[C@H](C)COCCCCCO 7a_100009816381_100000746330 [1,1,0,0,0,0|1,0,1]=4 5359 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100000746330_100009816398 [1,1,0,0,0,0|1,0,1]=4 5360 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100009816398_100000746330 [1,1,0,0,0,0|1,0,1]=4 5361 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [1,1,0,0,0,0|2,0,0]=4 5362 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [1,1,0,0,0,0|2,0,0]=4 5363 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [1,1,0,0,0,0|2,0,0]=4 5364 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [1,1,0,0,0,0|2,0,0]=4 5365 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [1,1,0,0,0,0|2,0,0]=4 5366 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [1,1,0,0,0,0|2,0,0]=4 5367 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [1,1,0,0,0,0|2,0,0]=4 5368 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [1,1,0,0,0,0|2,0,0]=4 5369 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [1,1,0,0,0,0|2,0,0]=4 5370 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [1,1,0,0,0,0|2,0,0]=4 5371 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [1,1,0,0,0,0|1,0,0]=3 5372 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [1,1,0,0,0,0|2,0,0]=4 5373 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [1,1,0,0,0,0|2,0,0]=4 5374 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [1,1,0,0,0,0|2,0,0]=4 5375 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [1,1,0,0,0,0|2,0,0]=4 5376 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [1,1,0,0,0,0|2,0,0]=4 5377 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [1,1,0,0,0,0|2,0,0]=4 5378 B11R0.40 N#CCCCCCCC(=O)CO 1458a_100000210174_100009813337 [1,1,0,0,0,0|1,0,1]=4 5379 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [1,1,0,0,0,0|2,0,0]=4 5380 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [1,1,0,0,0,0|1,0,0]=3 5381 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [1,1,0,0,0,0|2,0,0]=4 5382 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [1,1,0,0,0,0|2,0,0]=4 5383 B11R0.81 C/C=C/CC(=O)CCCCCC 1458a_100102632555_100102629194 [1,1,0,0,0,0|0,0,1]=3 5384 B11R0.81 C/C=C/CC(=O)CCCCCO 1458a_100102619762_100102629194 [1,1,0,0,0,0|1,0,1]=4 5385 B11R0.81 C/C=C/CC(=O)COCCCC 1458a_100000757543_100102629194 [1,1,0,0,0,0|1,0,1]=4 5386 B11R0.81 C/C=C/CC(=O)CSCCCC 1458a_100000191162_100102629194 [1,1,0,0,0,0|1,0,1]=4 5387 B11R0.81 C/C=C/CCOC(C)CCCC 34a_100016278192_200011215066 [1,1,0,0,0,0|1,0,0]=3 5388 B11R0.81 C/C=C/CN(C)CCCCCC 269982a_106256046315_100102629194 [1,1,0,0,0,0|1,0,0]=3 5389 B11R0.81 C/C=C/CN(C)CCCCCO 269982a_100000722520_100102629194 [1,1,0,0,0,0|2,0,0]=4 5390 B11R0.81 C/C=C/CNCC(C)OCCC 34a_100015185124_100102629194 [1,1,0,0,0,0|2,0,0]=4 5391 B11R0.81 C/C=C/CNCC(O)COCC 34a_102515437182_100102629194 [1,1,0,0,0,0|2,0,0]=4 5392 B11R0.81 C/C=C/CNC[C@H](C)CCCO 34a_100160569302_100102629194 [1,1,0,0,0,0|2,0,0]=4 5393 B11R0.81 C/C=C/COCC(C)CCCC 34a_100011995851_100102629194 [1,1,0,0,0,0|1,0,0]=3 5394 B11R0.81 C/C=C/COCC(C)CCCC 7a_100011995851_100102629194 [1,1,0,0,0,0|1,0,0]=3 5395 B11R0.81 C/C=C/COC[C@@H](N)CCCC 34a_100011934283_100102629194 [1,1,0,0,0,0|1,0,0]=3 5396 B11R0.81 C/C=C/COC[C@@H](N)CCSC 34a_100011827619_100102629194 [1,1,0,0,0,0|2,0,0]=4 5397 B11R0.81 CC/C=C\CCC(=O)CCCC 1458a_100000210183_100015370543 [1,1,0,0,0,0|1,0,1]=4 5398 B11R0.81 CC/C=C\CCN(C)CCCC 2230a_100000207549_100015370543 [1,1,0,0,0,0|2,0,0]=4 5399 B11R0.81 CC/C=C\CCN(C)CCCC 269982a_100000207549_100015370543 [1,1,0,0,0,0|2,0,0]=4 5400 B11R0.81 CC/C=C\CNC(C)CCCC 2230a_100000126638_100103147603 [1,1,0,0,0,0|2,0,0]=4 5401 B11R0.81 CC/C=C\COC(C)CCCC 34a_100000687866_100103147603 [1,1,0,0,0,0|2,0,0]=4 5402 B11R0.81 CC/C=C\COC(C)CCCC 34a_100016268518_200011215066 [1,1,0,0,0,0|2,0,0]=4 5403 B11R0.81 CC/C=C\COC(C)CCCC 7a_100000687866_100103147603 [1,1,0,0,0,0|2,0,0]=4 5404 B11R0.81 CC/C=C\CSC(C)CCCC 62a_100103147603_200011215066 [1,1,0,0,0,0|2,0,0]=4 5405 B11R0.81 CC/C=C\CSC(C)CCCC 62a_200011215066_100103147603 [1,1,0,0,0,0|2,0,0]=4 5406 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100102632555_100000070051 [1,1,0,0,0,0|0,0,1]=3 5407 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100121576822_100000210757 [1,1,0,0,0,0|0,0,1]=3 5408 B11R0.81 CC=CCC(=O)CCCCCF 1458a_100121576822_100000729378 [1,1,0,0,0,0|1,0,1]=4 5409 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100102619762_100000070051 [1,1,0,0,0,0|1,0,1]=4 5410 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100121576822_100000746330 [1,1,0,0,0,0|1,0,1]=4 5411 B11R0.81 CC=CCC(=O)CCCCOC 1458a_100121576822_100000755781 [1,1,0,0,0,0|1,0,1]=4 5412 B11R0.81 CC=CCC(=O)CCCOCC 1458a_100121576822_100012232248 [1,1,0,0,0,0|1,0,1]=4 5413 B11R0.81 CC=CCC(=O)CCOCCC 1458a_100121576822_100011215938 [1,1,0,0,0,0|1,0,1]=4 5414 B11R0.81 CC=CCC(=O)COCCCC 1458a_100000757543_100000070051 [1,1,0,0,0,0|1,0,1]=4 5415 B11R0.81 CC=CCC(=O)COCCCC 1458a_100121576822_100011995733 [1,1,0,0,0,0|1,0,1]=4 5416 B11R0.81 CC=CCC(=O)CSCCCC 1458a_100000191162_100000070051 [1,1,0,0,0,0|1,0,1]=4 5417 B11R0.81 CC=CCC(=O)NCCCCC 11a_100000209983_100121576822 [1,1,0,0,0,0|1,0,1]=4 5418 B11R0.81 CC=CCC(=O)NCCCCC 1626a_100000209983_100121576822 [1,1,0,0,0,0|1,0,1]=4 5419 B11R0.81 CC=CCC(=O)NCCCCC 240690a_100000209983_100121576822 [1,1,0,0,0,0|1,0,1]=4 5420 B11R0.81 CC=CCC(=O)NCCCCC 527a_100000209983_100121576822 [1,1,0,0,0,0|1,0,1]=4 5421 B11R0.81 CC=CCN(C)CCCCCC 2230a_106256046315_100000070051 [1,1,0,0,0,0|1,0,0]=3 5422 B11R0.81 CC=CCN(C)CCCCCO 2230a_100000722520_100000070051 [1,1,0,0,0,0|2,0,0]=4 5423 B11R0.81 CC=CCNCC(C)OCCC 2230a_100015185124_100000070051 [1,1,0,0,0,0|2,0,0]=4 5424 B11R0.81 CC=CCNCC(C)OCCC 34a_100015185124_100000070051 [1,1,0,0,0,0|2,0,0]=4 5425 B11R0.81 CC=CCNCC(O)COCC 2230a_102515437182_100000070051 [1,1,0,0,0,0|2,0,0]=4 5426 B11R0.81 CC=CCNCC(O)COCC 34a_102515437182_100000070051 [1,1,0,0,0,0|2,0,0]=4 5427 B11R0.81 CC=CCNC[C@H](C)CCCO 2230a_100160569302_100000070051 [1,1,0,0,0,0|2,0,0]=4 5428 B11R0.81 CC=CCNC[C@H](C)CCCO 34a_100160569302_100000070051 [1,1,0,0,0,0|2,0,0]=4 5429 B11R0.81 CC=CCOCC(C)CCCC 34a_100011995851_100000070051 [1,1,0,0,0,0|1,0,0]=3 5430 B11R0.81 CC=CCOCC(C)CCCC 7a_100011995851_100000070051 [1,1,0,0,0,0|1,0,0]=3 5431 B11R0.81 CC=CCOC[C@@H](N)CCCC 34a_100011934283_100000070051 [1,1,0,0,0,0|1,0,0]=3 5432 B11R0.81 CC=CCOC[C@@H](N)CCSC 34a_100011827619_100000070051 [1,1,0,0,0,0|2,0,0]=4 5433 B11R0.81 CCC=CC(=O)CCCCCC 1458a_100000212282_100000210757 [1,1,0,0,0,0|1,0,1]=4 5434 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [1,1,0,0,0,0|0,0,2]=4 5435 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [1,1,0,0,0,0|0,0,2]=4 5436 B11R0.81 CCCCC(C)CCCCOC 34a_200011021034_200000210301 [1,1,0,0,0,0|1,0,1]=4 5437 B11R0.81 CCCCC(C)CCCCOC 7a_200011021034_200000210301 [1,1,0,0,0,0|1,0,1]=4 5438 B11R0.81 CCCCC(C)CCCCO[13CH3] 34a_200011021034_200025704644 [1,1,0,0,0,0|1,0,1]=4 5439 B11R0.81 CCCCC(C)CCCCO[13CH3] 7a_200011021034_200025704644 [1,1,0,0,0,0|1,0,1]=4 5440 B11R0.81 CCCCC(C)COCCCO 34a_100011995851_100000230001 [1,1,0,0,0,0|1,0,1]=4 5441 B11R0.81 CCCCC(C)COCCCO 7a_100011995851_100011215043 [1,1,0,0,0,0|1,0,1]=4 5442 B11R0.81 CCCCC(C)NCCCCO 2230a_100000126638_100000210776 [1,1,0,0,0,0|1,0,1]=4 5443 B11R0.81 CCCCC(C)NCCCCO 2230a_100000750430_200011215066 [1,1,0,0,0,0|1,0,1]=4 5444 B11R0.81 CCCCC(C)NCCCCO 270004a_100000750430_100000210087 [1,1,0,0,0,0|1,0,1]=4 5445 B11R0.81 CCCCC(C)NCCCCO 34a_100000750430_200011215066 [1,1,0,0,0,0|1,0,1]=4 5446 B11R0.81 CCCCC(C)OCCCCO 34a_100000687866_100011216708 [1,1,0,0,0,0|1,0,1]=4 5447 B11R0.81 CCCCC(C)OCCCCO 7a_100000687866_100000210776 [1,1,0,0,0,0|1,0,1]=4 5448 B11R0.81 CCCCC(C)SCCCCO 62a_100000210776_200011215066 [1,1,0,0,0,0|1,0,1]=4 5449 B11R0.81 CCCCC(C)SCCCCO 62a_200011215066_100000210776 [1,1,0,0,0,0|1,0,1]=4 5450 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [1,1,0,0,0,0|0,0,2]=4 5451 B11R0.81 CCCCCCC(C)CCOC 34a_200011024964_200000210301 [1,1,0,0,0,0|1,0,1]=4 5452 B11R0.81 CCCCCCC(C)CCOC 7a_200011024964_200000210301 [1,1,0,0,0,0|1,0,1]=4 5453 B11R0.81 CCCCCCC(C)CCO[13CH3] 34a_200011024964_200025704644 [1,1,0,0,0,0|1,0,1]=4 5454 B11R0.81 CCCCCCC(C)CCO[13CH3] 7a_200011024964_200025704644 [1,1,0,0,0,0|1,0,1]=4 5455 B11R0.81 CCCCCCC(C)NCCO 2230a_100000210919_100000211926 [1,1,0,0,0,0|1,0,1]=4 5456 B11R0.81 CCCCCCC(C)NCCO 2230a_100016997473_100011215978 [1,1,0,0,0,0|1,0,1]=4 5457 B11R0.81 CCCCCCC(C)NCCO 270004a_100000210304_100000210826 [1,1,0,0,0,0|1,0,1]=4 5458 B11R0.81 CCCCCCC(C)NCCO 34a_100000210919_100000211926 [1,1,0,0,0,0|1,0,1]=4 5459 B11R0.81 CCCCCCC(C)NCCO 34a_100016990907_100011215978 [1,1,0,0,0,0|1,0,1]=4 5460 B11R0.81 CCCCCCC(C)OCCO 34a_100000210265_100000211926 [1,1,0,0,0,0|1,0,1]=4 5461 B11R0.81 CCCCCCC(C)OCCO 7a_100000210265_100000211926 [1,1,0,0,0,0|1,0,1]=4 5462 B11R0.81 CCCCCCC(C)SCCO 62a_100000211926_100011215978 [1,1,0,0,0,0|1,0,1]=4 5463 B11R0.81 CCCCCCC(C)SCCO 62a_100011215978_100000211926 [1,1,0,0,0,0|1,0,1]=4 5464 B11R0.81 CCCCCCN(C)CCCO 2230a_100000213112_100000210314 [1,1,0,0,0,0|1,0,1]=4 5465 B11R0.81 CCCCCCN(C)CCCO 2230a_106256046315_100000230001 [1,1,0,0,0,0|1,0,1]=4 5466 B11R0.81 CCCCCCN(C)CCCO 269982a_100000213112_100000210757 [1,1,0,0,0,0|1,0,1]=4 5467 B11R0.81 CCCCCCN(C)CCCO 269982a_106256046315_100011215043 [1,1,0,0,0,0|1,0,1]=4 5468 B11R0.81 CCCCN(C)CCCCCO 2230a_100000207549_100000746330 [1,1,0,0,0,0|1,0,1]=4 5469 B11R0.81 CCCCN(C)CCCCCO 2230a_100000722520_100000210211 [1,1,0,0,0,0|1,0,1]=4 5470 B11R0.81 CCCCN(C)CCCCCO 269982a_100000207549_100000746330 [1,1,0,0,0,0|1,0,1]=4 5471 B11R0.81 CCCCN(C)CCCCCO 269982a_100000722520_100000210211 [1,1,0,0,0,0|1,0,1]=4 5472 B11R0.81 CCCCNC[C@H](C)CCCO 2230a_100160569302_100000210211 [1,1,0,0,0,0|1,0,1]=4 5473 B11R0.81 CCCCNC[C@H](C)CCCO 34a_100160569302_100000210210 [1,1,0,0,0,0|1,0,1]=4 5474 B11R0.81 CCCC[C@H](N)COCCCO 34a_100011934283_100000230001 [1,1,0,0,0,0|1,0,1]=4 5475 B11R0.140 C/C=C/COC(C)CCCCC 34a_100011215632_100102629194 [1,1,0,0,0,0|1,0,0]=3 5476 B11R0.140 C/C=C/COC(C)CCCCC 34a_100016270725_200011218191 [1,1,0,0,0,0|1,0,0]=3 5477 B11R0.140 C/C=C/COC(C)CCCCC 7a_100011215632_100102629194 [1,1,0,0,0,0|1,0,0]=3 5478 B11R0.140 C/C=C/COC(C)CCCOC 34a_200011539412_100102629194 [1,1,0,0,0,0|2,0,0]=4 5479 B11R0.140 C/C=C/COC(C)CCCOC 7a_200011539412_100102629194 [1,1,0,0,0,0|2,0,0]=4 5480 B11R0.140 C/C=C/CSC(C)CCCCC 62a_100102629194_200011218191 [1,1,0,0,0,0|1,0,0]=3 5481 B11R0.140 C/C=C/CSC(C)CCCCC 62a_200011218191_100102629194 [1,1,0,0,0,0|1,0,0]=3 5482 B11R0.140 CC/C=C/CC(=O)CCCCC 1458a_100016274230_100000210326 [1,1,0,0,0,0|1,0,1]=4 5483 B11R0.140 CC/C=C\CC(=O)CCCCC 1458a_100000212188_100103147603 [1,1,0,0,0,0|1,0,1]=4 5484 B11R0.140 CC/C=C\CN(C)CCCCC 2230a_100000223495_100103147603 [1,1,0,0,0,0|2,0,0]=4 5485 B11R0.140 CC/C=C\CN(C)CCCCC 269982a_100000223495_100103147603 [1,1,0,0,0,0|2,0,0]=4 5486 B11R0.140 CC=CCNC(C)CCCCC 2230a_100000211957_100000070051 [1,1,0,0,0,0|1,0,0]=3 5487 B11R0.140 CC=CCOC(C)CCCCC 34a_100011215632_100000070051 [1,1,0,0,0,0|1,0,0]=3 5488 B11R0.140 CC=CCOC(C)CCCCC 7a_100011215632_100000070051 [1,1,0,0,0,0|1,0,0]=3 5489 B11R0.140 CC=CCOC(C)CCCOC 34a_200011539412_100000070051 [1,1,0,0,0,0|2,0,0]=4 5490 B11R0.140 CC=CCOC(C)CCCOC 7a_200011539412_100000070051 [1,1,0,0,0,0|2,0,0]=4 5491 B11R0.140 CC=CCSC(C)CCCCC 62a_100000070051_200011218191 [1,1,0,0,0,0|1,0,0]=3 5492 B11R0.140 CC=CCSC(C)CCCCC 62a_200011218191_100000070051 [1,1,0,0,0,0|1,0,0]=3 5493 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000212188_100000210776 [1,1,0,0,0,0|0,0,2]=4 5494 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000695505_100000210326 [1,1,0,0,0,0|0,0,2]=4 5495 B11R0.140 CCCCCC(C)NCCCO 2230a_100000211957_100000230001 [1,1,0,0,0,0|1,0,1]=4 5496 B11R0.140 CCCCCC(C)NCCCO 270004a_100000182051_100000211708 [1,1,0,0,0,0|1,0,1]=4 5497 B11R0.140 CCCCCC(C)OCCCO 34a_100011215632_100000230001 [1,1,0,0,0,0|1,0,1]=4 5498 B11R0.140 CCCCCC(C)OCCCO 7a_100011215632_100011215043 [1,1,0,0,0,0|1,0,1]=4 5499 B11R0.140 CCCCCC(C)SCCCO 62a_100011215043_200011218191 [1,1,0,0,0,0|1,0,1]=4 5500 B11R0.140 CCCCCC(C)SCCCO 62a_200011218191_100011215043 [1,1,0,0,0,0|1,0,1]=4 5501 B11R0.140 CCCCCN(C)CCCCO 2230a_100000223495_100000210776 [1,1,0,0,0,0|1,0,1]=4 5502 B11R0.140 CCCCCN(C)CCCCO 2230a_100000717598_100000210326 [1,1,0,0,0,0|1,0,1]=4 5503 B11R0.140 CCCCCN(C)CCCCO 269982a_100000223495_100000210776 [1,1,0,0,0,0|1,0,1]=4 5504 B11R0.140 CCCCCN(C)CCCCO 269982a_100000717598_100000210215 [1,1,0,0,0,0|1,0,1]=4 5505 B11R0.148 C/C=C/CCOCCCC(=O)C 34a_100016278192_100000685027 [1,1,0,0,0,0|1,0,1]=4 5506 B11R0.148 C/C=C/CCOCCCC(C)C 34a_100016278192_100011214892 [1,1,0,0,0,0|1,0,0]=3 5507 B11R0.148 C/C=C/CCOCCCC(C)O 34a_100016278192_200000718107 [1,1,0,0,0,0|1,0,0]=3 5508 B11R0.148 C/C=C/CCOCCOC(C)C 34a_100016278192_100000211751 [1,1,0,0,0,0|2,0,0]=4 5509 B11R0.148 C/C=C/CCOCCSC(C)C 34a_100016278192_100000730970 [1,1,0,0,0,0|2,0,0]=4 5510 B11R0.148 C/C=C/CNCCCOC(C)C 34a_100000737246_100102629194 [1,1,0,0,0,0|2,0,0]=4 5511 B11R0.148 C/C=C/COCCCCC(=O)C 34a_100016270725_100009817362 [1,1,0,0,0,0|1,0,1]=4 5512 B11R0.148 C/C=C/COCCCCC(C)C 34a_100011214890_100102629194 [1,1,0,0,0,0|1,0,0]=3 5513 B11R0.148 C/C=C/COCCCCC(C)C 34a_100016270725_100011216152 [1,1,0,0,0,0|1,0,0]=3 5514 B11R0.148 C/C=C/COCCCCC(C)C 7a_100011214890_100102629194 [1,1,0,0,0,0|1,0,0]=3 5515 B11R0.148 C/C=C/COCCCNC(C)C 34a_100000182298_100102629194 [1,1,0,0,0,0|2,0,0]=4 5516 B11R0.148 C/C=C/COCCNCC(C)C 34a_100015185251_100102629194 [1,1,0,0,0,0|2,0,0]=4 5517 B11R0.148 C/C=C/COCCOCC(C)C 34a_100000703358_100102629194 [1,1,0,0,0,0|2,0,0]=4 5518 B11R0.148 C/C=C/COCCOCC(C)C 7a_100000703358_100102629194 [1,1,0,0,0,0|2,0,0]=4 5519 B11R0.148 C/C=C/COCCSCC(C)C 34a_200000230437_100102629194 [1,1,0,0,0,0|2,0,0]=4 5520 B11R0.148 C/C=C/COCCSCC(C)C 7a_200000230437_100102629194 [1,1,0,0,0,0|2,0,0]=4 5521 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100000735457_100102629194 [1,1,0,0,0,0|1,0,1]=4 5522 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100102629194_100000735457 [1,1,0,0,0,0|1,0,1]=4 5523 B11R0.148 C/C=C/CSCCCCC(C)C 62a_100011216152_100102629194 [1,1,0,0,0,0|1,0,0]=3 5524 B11R0.148 C/C=C/CSCCCCC(C)C 62a_100102629194_100011216152 [1,1,0,0,0,0|1,0,0]=3 5525 B11R0.148 C/C=C/CSCCCCN(C)C 62a_100102629194_100000690147 [1,1,0,0,0,0|2,0,0]=4 5526 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [1,1,0,0,0,0|1,0,1]=4 5527 B11R0.148 C=C(C)CCOCCCC=CC 34a_100020645299_100000730704 [1,1,0,0,0,0|1,0,1]=4 5528 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [1,1,0,0,0,0|1,0,1]=4 5529 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [1,1,0,0,0,0|1,0,1]=4 5530 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [1,1,0,0,0,0|1,0,1]=4 5531 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [1,1,0,0,0,0|1,0,1]=4 5532 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [1,1,0,0,0,0|1,0,1]=4 5533 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [1,1,0,0,0,0|1,0,1]=4 5534 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [1,1,0,0,0,0|1,0,1]=4 5535 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [1,1,0,0,0,0|1,0,1]=4 5536 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [1,1,0,0,0,0|1,0,1]=4 5537 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [1,1,0,0,0,0|1,0,1]=4 5538 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [1,1,0,0,0,0|1,0,1]=4 5539 B11R0.148 CC(=CCCNCCCCO)C 2230a_100000750430_100011217483 [1,1,0,0,0,0|2,0,0]=4 5540 B11R0.148 CC(=CCCNCCCCO)C 34a_100000750430_100011217483 [1,1,0,0,0,0|2,0,0]=4 5541 B11R0.148 CC(=CCCOCCCCBr)C 34a_100011216708_100011217483 [1,1,0,0,0,0|2,0,0]=4 5542 B11R0.148 CC(=CCCOCCCCCl)C 34a_100000210776_100011217483 [1,1,0,0,0,0|2,0,0]=4 5543 B11R0.148 CC(=CCCOCCCCCl)C 7a_100000210776_100011217483 [1,1,0,0,0,0|2,0,0]=4 5544 B11R0.148 CC(=CCCOCCCCF)C 34a_100011995726_100011217483 [1,1,0,0,0,0|2,0,0]=4 5545 B11R0.148 CC(=CCCOCCCCF)C 7a_100011995726_100011217483 [1,1,0,0,0,0|2,0,0]=4 5546 B11R0.148 CC(=CCCOCCCCI)C 34a_200012148704_100011217483 [1,1,0,0,0,0|2,0,0]=4 5547 B11R0.148 CC(=CCCOCCCCN)C 34a_100000750430_100011217483 [1,1,0,0,0,0|2,0,0]=4 5548 B11R0.148 CC(=CCCSCCCCF)C 62a_100000729493_100011217483 [1,1,0,0,0,0|2,0,0]=4 5549 B11R0.148 CC(=CCCSCCCCF)C 62a_100011217483_100000729493 [1,1,0,0,0,0|2,0,0]=4 5550 B11R0.148 CC(=CCCSCCCCO)C 62a_100000210776_100011217483 [1,1,0,0,0,0|2,0,0]=4 5551 B11R0.148 CC(=CCCSCCCCO)C 62a_100011217483_100000210776 [1,1,0,0,0,0|2,0,0]=4 5552 B11R0.148 CC(=CCNCCCCCF)C 34a_100000718196_100000729378 [1,1,0,0,0,0|2,0,0]=4 5553 B11R0.148 CC(=CCNCCCCCO)C 2230a_100000762737_100000761012 [1,1,0,0,0,0|2,0,0]=4 5554 B11R0.148 CC(=CCNCCCCCO)C 34a_100000718196_100000746330 [1,1,0,0,0,0|2,0,0]=4 5555 B11R0.148 CC(=CCNCCCCCO)C 34a_100000762737_100000761012 [1,1,0,0,0,0|2,0,0]=4 5556 B11R0.148 CC(=CCOCCCCCBr)C 34a_100000746331_100000761012 [1,1,0,0,0,0|2,0,0]=4 5557 B11R0.148 CC(=CCOCCCCCBr)C 7a_100000746331_100000761012 [1,1,0,0,0,0|2,0,0]=4 5558 B11R0.148 CC(=CCOCCCCCCl)C 34a_100000746330_100000761012 [1,1,0,0,0,0|2,0,0]=4 5559 B11R0.148 CC(=CCOCCCCCCl)C 7a_100000746330_100000761012 [1,1,0,0,0,0|2,0,0]=4 5560 B11R0.148 CC(=CCOCCCCCF)C 34a_100000753907_100000729378 [1,1,0,0,0,0|2,0,0]=4 5561 B11R0.148 CC(=CCOCCCCCI)C 34a_200012148887_100000761012 [1,1,0,0,0,0|2,0,0]=4 5562 B11R0.148 CC(=CCOCCCCCI)C 7a_200012148887_100000761012 [1,1,0,0,0,0|2,0,0]=4 5563 B11R0.148 CC(=CCOCCCCCN)C 34a_100000762737_100000761012 [1,1,0,0,0,0|2,0,0]=4 5564 B11R0.148 CC(=CCOCCCCCO)C 34a_100000753907_100000746330 [1,1,0,0,0,0|2,0,0]=4 5565 B11R0.148 CC(=CCSCCCCCF)C 62a_100000729378_100000761012 [1,1,0,0,0,0|2,0,0]=4 5566 B11R0.148 CC(=CCSCCCCCF)C 62a_100000761012_100000729378 [1,1,0,0,0,0|2,0,0]=4 5567 B11R0.148 CC(=CCSCCCCCO)C 62a_100000746330_100000761012 [1,1,0,0,0,0|2,0,0]=4 5568 B11R0.148 CC(=CCSCCCCCO)C 62a_100000761012_100000746330 [1,1,0,0,0,0|2,0,0]=4 5569 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [1,1,0,0,0,0|0,0,2]=4 5570 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [1,1,0,0,0,0|2,0,0]=4 5571 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [1,1,0,0,0,0|2,0,0]=4 5572 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [1,1,0,0,0,0|2,0,0]=4 5573 B11R0.148 CC(Br)CCOCCCCCO 34a_100009893172_100000746330 [1,1,0,0,0,0|1,0,1]=4 5574 B11R0.148 CC(Br)COCCCCCCO 34a_100012180447_100000766143 [1,1,0,0,0,0|1,0,1]=4 5575 B11R0.148 CC(C)CCCCCCCO[13CH3] 34a_200000210741_200025704644 [1,1,0,0,0,0|1,0,1]=4 5576 B11R0.148 CC(C)CCCCCCCO[13CH3] 7a_200000210741_200025704644 [1,1,0,0,0,0|1,0,1]=4 5577 B11R0.148 CC(C)CCCCCCNCF 34a_100000211014_100015361967 [1,1,0,0,0,0|2,0,0]=4 5578 B11R0.148 CC(C)CCCCCNCCO 2230a_100011290863_100000211926 [1,1,0,0,0,0|1,0,1]=4 5579 B11R0.148 CC(C)CCCCCNCCO 2230a_100016997473_100000210682 [1,1,0,0,0,0|1,0,1]=4 5580 B11R0.148 CC(C)CCCCCNCCO 34a_100011290863_100000211926 [1,1,0,0,0,0|1,0,1]=4 5581 B11R0.148 CC(C)CCCCCNCCO 34a_100016990907_100000210682 [1,1,0,0,0,0|1,0,1]=4 5582 B11R0.148 CC(C)CCCCCOCCO 34a_100011995859_100000211926 [1,1,0,0,0,0|1,0,1]=4 5583 B11R0.148 CC(C)CCCCCOCCO 7a_100011995859_100000211926 [1,1,0,0,0,0|1,0,1]=4 5584 B11R0.148 CC(C)CCCCCSCCO 62a_100000210682_100000211926 [1,1,0,0,0,0|1,0,1]=4 5585 B11R0.148 CC(C)CCCCCSCCO 62a_100000211926_100000210682 [1,1,0,0,0,0|1,0,1]=4 5586 B11R0.148 CC(C)CCCCOCCCO 34a_100011214890_100000230001 [1,1,0,0,0,0|1,0,1]=4 5587 B11R0.148 CC(C)CCCCOCCCO 7a_100011214890_100011215043 [1,1,0,0,0,0|1,0,1]=4 5588 B11R0.148 CC(C)CCCCSCCCO 62a_100011215043_100011216152 [1,1,0,0,0,0|1,0,1]=4 5589 B11R0.148 CC(C)CCCCSCCCO 62a_100011216152_100011215043 [1,1,0,0,0,0|1,0,1]=4 5590 B11R0.148 CC(C)CCCNCCCCO 2230a_100000750430_100011214892 [1,1,0,0,0,0|1,0,1]=4 5591 B11R0.148 CC(C)CCCNCCCCO 2230a_200000737386_100000210776 [1,1,0,0,0,0|1,0,1]=4 5592 B11R0.148 CC(C)CCCNCCCCO 34a_100000750430_100011214892 [1,1,0,0,0,0|1,0,1]=4 5593 B11R0.148 CC(C)CCCNCCCCO 34a_200000737386_100011216708 [1,1,0,0,0,0|1,0,1]=4 5594 B11R0.148 CC(C)CCCOCCCCO 34a_100000210774_100011216708 [1,1,0,0,0,0|1,0,1]=4 5595 B11R0.148 CC(C)CCCOCCCCO 7a_100000210774_100000210776 [1,1,0,0,0,0|1,0,1]=4 5596 B11R0.148 CC(C)CCCSCCCCO 62a_100000210776_100011214892 [1,1,0,0,0,0|1,0,1]=4 5597 B11R0.148 CC(C)CCCSCCCCO 62a_100011214892_100000210776 [1,1,0,0,0,0|1,0,1]=4 5598 B11R0.148 CC(C)CCNCCCCCO 2230a_100000762737_100000210312 [1,1,0,0,0,0|1,0,1]=4 5599 B11R0.148 CC(C)CCNCCCCCO 269862a_100000762737_100000185833 [1,1,0,0,0,0|1,0,1]=4 5600 B11R0.148 CC(C)CCNCCCCCO 34a_100000762737_100000210312 [1,1,0,0,0,0|1,0,1]=4 5601 B11R0.148 CC(C)CCOCCCCCO 34a_100000210254_100000746330 [1,1,0,0,0,0|1,0,1]=4 5602 B11R0.148 CC(C)CCOCCCCCO 7a_100000210254_100000746330 [1,1,0,0,0,0|1,0,1]=4 5603 B11R0.148 CC(C)CCSCCCCCO 62a_100000210312_100000746330 [1,1,0,0,0,0|1,0,1]=4 5604 B11R0.148 CC(C)CCSCCCCCO 62a_100000746330_100000210312 [1,1,0,0,0,0|1,0,1]=4 5605 B11R0.148 CC(C)CNCCCCCCO 2230a_100000210953_100000766143 [1,1,0,0,0,0|1,0,1]=4 5606 B11R0.148 CC(C)CNCCCCCCO 2230a_100000686447_100000210760 [1,1,0,0,0,0|1,0,1]=4 5607 B11R0.148 CC(C)CNCCCCCCO 270004a_100000686447_100000210432 [1,1,0,0,0,0|1,0,1]=4 5608 B11R0.148 CC(C)CNCCCCCCO 34a_100000210953_100000766143 [1,1,0,0,0,0|1,0,1]=4 5609 B11R0.148 CC(C)CNCCCCCCO 34a_100000686447_100000210624 [1,1,0,0,0,0|1,0,1]=4 5610 B11R0.148 CC(C)COCCCCCCO 34a_100000210257_100000766143 [1,1,0,0,0,0|1,0,1]=4 5611 B11R0.148 CC(C)CSCCCCCCO 62a_100000210624_100000766143 [1,1,0,0,0,0|1,0,1]=4 5612 B11R0.148 CC(C)CSCCCCCCO 62a_100000766143_100000210760 [1,1,0,0,0,0|1,0,1]=4 5613 B11R0.148 CC(C)NCCCCCCCO 2230a_100011996573_100000210206 [1,1,0,0,0,0|1,0,1]=4 5614 B11R0.148 CC(C)NCCCCCCCO 2230a_100138425928_100000760002 [1,1,0,0,0,0|1,0,1]=4 5615 B11R0.148 CC(C)NCCCCCCCO 34a_100011996573_100000210206 [1,1,0,0,0,0|1,0,1]=4 5616 B11R0.148 CC(C)NCCCCCCCO 34a_100138425928_100000760002 [1,1,0,0,0,0|1,0,1]=4 5617 B11R0.148 CC(C)OCCCCCCCO 34a_100000212225_100000760002 [1,1,0,0,0,0|1,0,1]=4 5618 B11R0.148 CC(C)SCCCCCCCO 62a_100000210206_100000760002 [1,1,0,0,0,0|1,0,1]=4 5619 B11R0.148 CC(C)SCCCCCCCO 62a_100000760002_100000210206 [1,1,0,0,0,0|1,0,1]=4 5620 B11R0.148 CC(F)COCCCCCCO 34a_100015925927_100000766143 [1,1,0,0,0,0|1,0,1]=4 5621 B11R0.148 CC(O)CCCNCCCCO 2230a_100000750430_200000718107 [1,1,0,0,0,0|1,0,1]=4 5622 B11R0.148 CC(O)CCCNCCCCO 34a_100000750430_200000718107 [1,1,0,0,0,0|1,0,1]=4 5623 B11R0.148 CC(O)CCCSCCCCO 62a_100000210776_200000718107 [1,1,0,0,0,0|1,0,1]=4 5624 B11R0.148 CC(O)CCCSCCCCO 62a_200000718107_100000210776 [1,1,0,0,0,0|1,0,1]=4 5625 B11R0.148 CC(O)CCNCCCCCO 2230a_100000762737_100012276601 [1,1,0,0,0,0|1,0,1]=4 5626 B11R0.148 CC(O)CCNCCCCCO 2230a_200000755665_100000746330 [1,1,0,0,0,0|1,0,1]=4 5627 B11R0.148 CC(O)CCNCCCCCO 34a_100000762737_100012276601 [1,1,0,0,0,0|1,0,1]=4 5628 B11R0.148 CC(O)CCSCCCCCO 62a_100000746330_100012276601 [1,1,0,0,0,0|1,0,1]=4 5629 B11R0.148 CC(O)CCSCCCCCO 62a_100012276601_100000746330 [1,1,0,0,0,0|1,0,1]=4 5630 B11R0.148 CC(O)CNCCCCCCO 2230a_100000210904_100000766143 [1,1,0,0,0,0|1,0,1]=4 5631 B11R0.148 CC(O)CNCCCCCCO 2230a_100000686447_100011218427 [1,1,0,0,0,0|1,0,1]=4 5632 B11R0.148 CC(O)CNCCCCCCO 34a_100000210904_100000766143 [1,1,0,0,0,0|1,0,1]=4 5633 B11R0.148 CC(O)CNCCCCCCO 34a_100000686447_100011218427 [1,1,0,0,0,0|1,0,1]=4 5634 B11R0.148 CC(O)CSCCCCCCO 62a_100000766143_100011218427 [1,1,0,0,0,0|1,0,1]=4 5635 B11R0.148 CC(O)CSCCCCCCO 62a_100011218427_100000766143 [1,1,0,0,0,0|1,0,1]=4 5636 B11R0.148 CC/C=C/CCCOCC(C)C 34a_100016287902_100000210624 [1,1,0,0,0,0|2,0,0]=4 5637 B11R0.148 CC/C=C/CCCOCC(C)C 7a_100016287902_100000210760 [1,1,0,0,0,0|2,0,0]=4 5638 B11R0.148 CC/C=C/CCCOCC(C)O 34a_100016287902_100011218427 [1,1,0,0,0,0|2,0,0]=4 5639 B11R0.148 CC/C=C/CCCOCC(C)O 7a_100016287902_100011218427 [1,1,0,0,0,0|2,0,0]=4 5640 B11R0.148 CC/C=C/CCCOC[C@@H](C)O 34a_100016287902_100009817552 [1,1,0,0,0,0|2,0,0]=4 5641 B11R0.148 CC/C=C/CCCOC[C@@H](C)O 7a_100016287902_100009817552 [1,1,0,0,0,0|2,0,0]=4 5642 B11R0.148 CC/C=C\CCCCOC(C)C 34a_100016287862_100000210206 [1,1,0,0,0,0|2,0,0]=4 5643 B11R0.148 CC/C=C\CCCCOC(C)C 7a_100016287862_100000210206 [1,1,0,0,0,0|2,0,0]=4 5644 B11R0.148 CC/C=C\CCNCCC(C)O 2230a_200000755665_100015370543 [1,1,0,0,0,0|2,0,0]=4 5645 B11R0.148 CC/C=C\CCOCCC(C)Br 34a_100009893172_100015370543 [1,1,0,0,0,0|2,0,0]=4 5646 B11R0.148 CC/C=C\CCOCCC(C)C 34a_100000210254_100015370543 [1,1,0,0,0,0|2,0,0]=4 5647 B11R0.148 CC/C=C\CCOCCC(C)C 34a_100016288707_100000210312 [1,1,0,0,0,0|2,0,0]=4 5648 B11R0.148 CC/C=C\CCOCCC(C)C 7a_100000210254_100015370543 [1,1,0,0,0,0|2,0,0]=4 5649 B11R0.148 CC/C=C\CCOCCC(C)C 7a_100016288707_100000210626 [1,1,0,0,0,0|2,0,0]=4 5650 B11R0.148 CC/C=C\CCOCCC(C)O 34a_100016288707_100012276601 [1,1,0,0,0,0|2,0,0]=4 5651 B11R0.148 CC/C=C\CCOCCC(C)O 7a_100016288707_100012276601 [1,1,0,0,0,0|2,0,0]=4 5652 B11R0.148 CC/C=C\CCOCC[C@@H](C)N 34a_100000706166_100015370543 [1,1,0,0,0,0|2,0,0]=4 5653 B11R0.148 CC/C=C\CCSCCC(C)C 62a_100000210312_100015370543 [1,1,0,0,0,0|2,0,0]=4 5654 B11R0.148 CC/C=C\CCSCCC(C)C 62a_100015370543_100000210312 [1,1,0,0,0,0|2,0,0]=4 5655 B11R0.148 CC/C=C\CCSCCC(C)O 62a_100012276601_100015370543 [1,1,0,0,0,0|2,0,0]=4 5656 B11R0.148 CC/C=C\CCSCCC(C)O 62a_100015370543_100012276601 [1,1,0,0,0,0|2,0,0]=4 5657 B11R0.148 CC/C=C\CNCCCC(C)C 2230a_200000737386_100103147603 [1,1,0,0,0,0|2,0,0]=4 5658 B11R0.148 CC/C=C\CNCCCC(C)C 34a_200000737386_100103147603 [1,1,0,0,0,0|2,0,0]=4 5659 B11R0.148 CC/C=C\COCCCC(C)C 34a_100000210774_100103147603 [1,1,0,0,0,0|2,0,0]=4 5660 B11R0.148 CC/C=C\COCCCC(C)C 34a_100016268518_100011214892 [1,1,0,0,0,0|2,0,0]=4 5661 B11R0.148 CC/C=C\COCCCC(C)C 7a_100000210774_100103147603 [1,1,0,0,0,0|2,0,0]=4 5662 B11R0.148 CC/C=C\COCCCC(C)O 34a_100016268518_200000718107 [1,1,0,0,0,0|2,0,0]=4 5663 B11R0.148 CC/C=C\CSCCCC(C)C 62a_100011214892_100103147603 [1,1,0,0,0,0|2,0,0]=4 5664 B11R0.148 CC/C=C\CSCCCC(C)C 62a_100103147603_100011214892 [1,1,0,0,0,0|2,0,0]=4 5665 B11R0.148 CC/C=C\CSCCCC(C)O 62a_100103147603_200000718107 [1,1,0,0,0,0|2,0,0]=4 5666 B11R0.148 CC/C=C\CSCCCC(C)O 62a_200000718107_100103147603 [1,1,0,0,0,0|2,0,0]=4 5667 B11R0.148 CC=CCCCOCCC(C)C 34a_100020645299_100000210312 [1,1,0,0,0,0|1,0,0]=3 5668 B11R0.148 CC=CCCCOCCC(C)O 34a_100020645299_100012276601 [1,1,0,0,0,0|1,0,0]=3 5669 B11R0.148 CC=CCCCOCOC(C)C 34a_100020645299_100000709892 [1,1,0,0,0,0|2,0,0]=4 5670 B11R0.148 CC=CCNCCCOC(C)C 2230a_100000737246_100000070051 [1,1,0,0,0,0|2,0,0]=4 5671 B11R0.148 CC=CCNCCCOC(C)C 34a_100000737246_100000070051 [1,1,0,0,0,0|2,0,0]=4 5672 B11R0.148 CC=CCOCCCCC(C)C 34a_100011214890_100000070051 [1,1,0,0,0,0|1,0,0]=3 5673 B11R0.148 CC=CCOCCCCC(C)C 7a_100011214890_100000070051 [1,1,0,0,0,0|1,0,0]=3 5674 B11R0.148 CC=CCOCCCNC(C)C 34a_100000182298_100000070051 [1,1,0,0,0,0|2,0,0]=4 5675 B11R0.148 CC=CCOCCNCC(C)C 34a_100015185251_100000070051 [1,1,0,0,0,0|2,0,0]=4 5676 B11R0.148 CC=CCOCCOCC(C)C 34a_100000703358_100000070051 [1,1,0,0,0,0|2,0,0]=4 5677 B11R0.148 CC=CCOCCOCC(C)C 7a_100000703358_100000070051 [1,1,0,0,0,0|2,0,0]=4 5678 B11R0.148 CC=CCOCCSCC(C)C 34a_200000230437_100000070051 [1,1,0,0,0,0|2,0,0]=4 5679 B11R0.148 CC=CCOCCSCC(C)C 7a_200000230437_100000070051 [1,1,0,0,0,0|2,0,0]=4 5680 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000070051_100000735457 [1,1,0,0,0,0|1,0,1]=4 5681 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000735457_100000070051 [1,1,0,0,0,0|1,0,1]=4 5682 B11R0.148 CC=CCSCCCCC(C)C 62a_100000070051_100011216152 [1,1,0,0,0,0|1,0,0]=3 5683 B11R0.148 CC=CCSCCCCC(C)C 62a_100011216152_100000070051 [1,1,0,0,0,0|1,0,0]=3 5684 B11R0.148 CC=CCSCCCCN(C)C 62a_100000070051_100000690147 [1,1,0,0,0,0|2,0,0]=4 5685 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [1,1,0,0,0,0|0,0,1]=3 5686 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [1,1,0,0,0,0|0,0,1]=3 5687 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [1,1,0,0,0,0|0,0,1]=3 5688 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [1,1,0,0,0,0|0,0,1]=3 5689 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [1,1,0,0,0,0|0,0,1]=3 5690 B11R0.148 CCCCCCCCCN(C)C 2230a_100000232482_200000210301 [1,1,0,0,0,0|1,0,1]=4 5691 B11R0.148 CCCCCCCCCN(C)C 2230a_100102631434_100011214924 [1,1,0,0,0,0|1,0,1]=4 5692 B11R0.148 CCCCCCCCCN(C)C 269982a_100000232482_200000210301 [1,1,0,0,0,0|1,0,1]=4 5693 B11R0.148 CCCCCCCCCN(C)C 269982a_100102631434_100000210670 [1,1,0,0,0,0|1,0,1]=4 5694 B11R0.148 CCCCCCCCCN(C)[13CH3] 2230a_100000232482_200025704644 [1,1,0,0,0,0|1,0,1]=4 5695 B11R0.148 CCCCCCCCCN(C)[13CH3] 269982a_100000232482_200025704644 [1,1,0,0,0,0|1,0,1]=4 5696 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [1,1,0,0,0,0|1,0,0]=3 5697 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [1,1,0,0,0,0|1,0,0]=3 5698 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [1,1,0,0,0,0|1,0,0]=3 5699 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [1,1,0,0,0,0|1,0,0]=3 5700 B11R0.148 CCCCCCCCNC(C)C 2230a_100000229939_100000210206 [1,1,0,0,0,0|1,0,1]=4 5701 B11R0.148 CCCCCCCCNC(C)C 2230a_100138425928_100000210759 [1,1,0,0,0,0|1,0,1]=4 5702 B11R0.148 CCCCCCCCNC(C)C 34a_100000229939_100000210206 [1,1,0,0,0,0|1,0,1]=4 5703 B11R0.148 CCCCCCCCNC(C)C 34a_100138425928_100000210759 [1,1,0,0,0,0|1,0,1]=4 5704 B11R0.148 CCCCCCCCOC(C)C 34a_100000210232_100000210206 [1,1,0,0,0,0|1,0,1]=4 5705 B11R0.148 CCCCCCCCOC(C)C 34a_100000212225_100000210759 [1,1,0,0,0,0|1,0,1]=4 5706 B11R0.148 CCCCCCCCOC(C)C 7a_100000210232_100000210206 [1,1,0,0,0,0|1,0,1]=4 5707 B11R0.148 CCCCCCCCSC(C)C 62a_100000210206_100000210317 [1,1,0,0,0,0|1,0,1]=4 5708 B11R0.148 CCCCCCCCSC(C)C 62a_100000210759_100000210206 [1,1,0,0,0,0|1,0,1]=4 5709 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [1,1,0,0,0,0|1,0,1]=4 5710 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [1,1,0,0,0,0|1,0,1]=4 5711 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [1,1,0,0,0,0|1,0,1]=4 5712 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [1,1,0,0,0,0|1,0,1]=4 5713 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [1,1,0,0,0,0|1,0,1]=4 5714 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [1,1,0,0,0,0|1,0,1]=4 5715 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [1,1,0,0,0,0|1,0,1]=4 5716 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [1,1,0,0,0,0|1,0,1]=4 5717 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [1,1,0,0,0,0|1,0,1]=4 5718 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [1,1,0,0,0,0|1,0,1]=4 5719 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [1,1,0,0,0,0|1,0,1]=4 5720 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [1,1,0,0,0,0|1,0,1]=4 5721 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [1,1,0,0,0,0|1,0,1]=4 5722 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [1,1,0,0,0,0|1,0,1]=4 5723 B11R0.148 CCCCCCNCC=C(C)C 2230a_100000210581_100000761012 [1,1,0,0,0,0|1,0,0]=3 5724 B11R0.148 CCCCCCNCC=C(C)C 34a_100000718196_100000210314 [1,1,0,0,0,0|1,0,0]=3 5725 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [1,1,0,0,0,0|1,0,1]=4 5726 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [1,1,0,0,0,0|1,0,1]=4 5727 B11R0.148 CCCCCCOCC=C(C)C 34a_100000210259_100000761012 [1,1,0,0,0,0|1,0,0]=3 5728 B11R0.148 CCCCCCOCC=C(C)C 34a_100000753907_100000210314 [1,1,0,0,0,0|1,0,0]=3 5729 B11R0.148 CCCCCCOCC=C(C)C 7a_100000210259_100000761012 [1,1,0,0,0,0|1,0,0]=3 5730 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [1,1,0,0,0,0|1,0,1]=4 5731 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [1,1,0,0,0,0|1,0,1]=4 5732 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [1,1,0,0,0,0|1,0,1]=4 5733 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [1,1,0,0,0,0|1,0,1]=4 5734 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [1,1,0,0,0,0|1,0,1]=4 5735 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [1,1,0,0,0,0|2,0,0]=4 5736 B11R0.148 CCCCCCSCC=C(C)C 62a_100000210314_100000761012 [1,1,0,0,0,0|1,0,0]=3 5737 B11R0.148 CCCCCCSCC=C(C)C 62a_100000761012_100000210757 [1,1,0,0,0,0|1,0,0]=3 5738 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [1,1,0,0,0,0|1,0,1]=4 5739 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [1,1,0,0,0,0|1,0,1]=4 5740 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [1,1,0,0,0,0|1,0,1]=4 5741 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [1,1,0,0,0,0|1,0,1]=4 5742 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [1,1,0,0,0,0|2,0,0]=4 5743 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [1,1,0,0,0,0|2,0,0]=4 5744 B11R0.148 CCCCCNC/C=C/B(O)O 2230a_100000209983_100016262062 [1,1,0,0,0,0|2,0,0]=4 5745 B11R0.148 CCCCCNCCC=C(C)C 2230a_100000209983_100011217483 [1,1,0,0,0,0|1,0,0]=3 5746 B11R0.148 CCCCCNCCC=C(F)F 2230a_100000209983_200009816681 [1,1,0,0,0,0|2,0,0]=4 5747 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [1,1,0,0,0,0|1,0,1]=4 5748 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [1,1,0,0,0,0|2,0,0]=4 5749 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [1,1,0,0,0,0|2,0,0]=4 5750 B11R0.148 CCCCCOC/C=C/B(O)O 34a_100000210253_100016262062 [1,1,0,0,0,0|2,0,0]=4 5751 B11R0.148 CCCCCOC/C=C/B(O)O 7a_100000210253_100016262062 [1,1,0,0,0,0|2,0,0]=4 5752 B11R0.148 CCCCCOCCC=C(C)C 34a_100000210253_100011217483 [1,1,0,0,0,0|1,0,0]=3 5753 B11R0.148 CCCCCOCCC=C(C)C 7a_100000210253_100011217483 [1,1,0,0,0,0|1,0,0]=3 5754 B11R0.148 CCCCCOCCC=C(F)F 34a_100000210253_200009816681 [1,1,0,0,0,0|2,0,0]=4 5755 B11R0.148 CCCCCOCCC=C(F)F 7a_100000210253_200009816681 [1,1,0,0,0,0|2,0,0]=4 5756 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [1,1,0,0,0,0|1,0,1]=4 5757 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [1,1,0,0,0,0|1,0,1]=4 5758 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [1,1,0,0,0,0|1,0,1]=4 5759 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [1,1,0,0,0,0|1,0,1]=4 5760 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [1,1,0,0,0,0|1,0,1]=4 5761 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [1,1,0,0,0,0|1,0,1]=4 5762 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [1,1,0,0,0,0|2,0,0]=4 5763 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [1,1,0,0,0,0|2,0,0]=4 5764 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [1,1,0,0,0,0|2,0,0]=4 5765 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [1,1,0,0,0,0|2,0,0]=4 5766 B11R0.148 CCCCCSC/C=C/B(O)O 62a_100000210326_100016262062 [1,1,0,0,0,0|2,0,0]=4 5767 B11R0.148 CCCCCSC/C=C/B(O)O 62a_100016262062_100000210326 [1,1,0,0,0,0|2,0,0]=4 5768 B11R0.148 CCCCCSCCC=C(C)C 62a_100000210326_100011217483 [1,1,0,0,0,0|1,0,0]=3 5769 B11R0.148 CCCCCSCCC=C(C)C 62a_100011217483_100000210326 [1,1,0,0,0,0|1,0,0]=3 5770 B11R0.148 CCCCCSCCC=C(F)F 62a_100000210326_200009816681 [1,1,0,0,0,0|2,0,0]=4 5771 B11R0.148 CCCCCSCCC=C(F)F 62a_200009816681_100000210326 [1,1,0,0,0,0|2,0,0]=4 5772 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [1,1,0,0,0,0|1,0,1]=4 5773 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [1,1,0,0,0,0|1,0,1]=4 5774 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [1,1,0,0,0,0|1,0,1]=4 5775 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [1,1,0,0,0,0|1,0,1]=4 5776 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [1,1,0,0,0,0|2,0,0]=4 5777 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [1,1,0,0,0,0|2,0,0]=4 5778 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [1,1,0,0,0,0|2,0,0]=4 5779 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [1,1,0,0,0,0|2,0,0]=4 5780 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [1,1,0,0,0,0|1,0,1]=4 5781 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [1,1,0,0,0,0|2,0,0]=4 5782 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [1,1,0,0,0,0|2,0,0]=4 5783 B11R0.148 CCCCNCCCOC(=S)C 2230a_100000102301_200135323944 [1,1,0,0,0,0|2,0,0]=4 5784 B11R0.148 CCCCNCCCOC(=S)C 7a_106832991798_200135323944 [1,1,0,0,0,0|2,0,0]=4 5785 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [1,1,0,0,0,0|2,0,0]=4 5786 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [1,1,0,0,0,0|2,0,0]=4 5787 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [1,1,0,0,0,0|1,0,1]=4 5788 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [1,1,0,0,0,0|1,0,1]=4 5789 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [1,1,0,0,0,0|2,0,0]=4 5790 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [1,1,0,0,0,0|2,0,0]=4 5791 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [1,1,0,0,0,0|2,0,0]=4 5792 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [1,1,0,0,0,0|2,0,0]=4 5793 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [1,1,0,0,0,0|2,0,0]=4 5794 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [1,1,0,0,0,0|2,0,0]=4 5795 B11R0.148 CCCCOCCCOC(=S)C 34a_100000210227_200135323944 [1,1,0,0,0,0|2,0,0]=4 5796 B11R0.148 CCCCOCCCOC(=S)C 7a_100000210227_200135323944 [1,1,0,0,0,0|2,0,0]=4 5797 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [1,1,0,0,0,0|2,0,0]=4 5798 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [1,1,0,0,0,0|2,0,0]=4 5799 B11R0.148 CCCCOCNCC=C(C)C 34a_100000718196_100011995733 [1,1,0,0,0,0|2,0,0]=4 5800 B11R0.148 CCCCOCOCC=C(C)C 34a_100000753907_100011995733 [1,1,0,0,0,0|2,0,0]=4 5801 B11R0.148 CCCCOCSCC=C(C)C 62a_100000761012_100011995733 [1,1,0,0,0,0|2,0,0]=4 5802 B11R0.148 CCCCOCSCC=C(C)C 62a_100011995733_100000761012 [1,1,0,0,0,0|2,0,0]=4 5803 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [1,1,0,0,0,0|1,0,1]=4 5804 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [1,1,0,0,0,0|1,0,1]=4 5805 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [1,1,0,0,0,0|2,0,0]=4 5806 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [1,1,0,0,0,0|2,0,0]=4 5807 B11R0.148 CCCCSCCCOC(=S)C 62a_100000210211_200135323944 [1,1,0,0,0,0|2,0,0]=4 5808 B11R0.148 CCCCSCCCOC(=S)C 62a_200135323944_100000210210 [1,1,0,0,0,0|2,0,0]=4 5809 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [1,1,0,0,0,0|2,0,0]=4 5810 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [1,1,0,0,0,0|2,0,0]=4 5811 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [1,1,0,0,0,0|2,0,0]=4 5812 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [1,1,0,0,0,0|2,0,0]=4 5813 B11R0.148 CCCOCCC/C=C/B(O)O 34a_100000210258_200016261450 [1,1,0,0,0,0|2,0,0]=4 5814 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [1,1,0,0,0,0|2,0,0]=4 5815 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [1,1,0,0,0,0|2,0,0]=4 5816 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [1,1,0,0,0,0|2,0,0]=4 5817 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [1,1,0,0,0,0|2,0,0]=4 5818 B11R0.148 CCCOCCNCC=C(C)C 2230a_100161115042_100000761012 [1,1,0,0,0,0|2,0,0]=4 5819 B11R0.148 CCCOCCNCC=C(C)C 34a_100000718196_100011215938 [1,1,0,0,0,0|2,0,0]=4 5820 B11R0.148 CCCOCCNCC=C(C)C 34a_100161115042_100000761012 [1,1,0,0,0,0|2,0,0]=4 5821 B11R0.148 CCCOCCOCC=C(C)C 34a_100000752267_100000761012 [1,1,0,0,0,0|2,0,0]=4 5822 B11R0.148 CCCOCCOCC=C(C)C 34a_100000753907_100011215938 [1,1,0,0,0,0|2,0,0]=4 5823 B11R0.148 CCCOCCOCC=C(C)C 7a_100000752267_100000761012 [1,1,0,0,0,0|2,0,0]=4 5824 B11R0.148 CCCOCCSCC=C(C)C 62a_100000761012_100011215938 [1,1,0,0,0,0|2,0,0]=4 5825 B11R0.148 CCCOCCSCC=C(C)C 62a_100011215938_100000761012 [1,1,0,0,0,0|2,0,0]=4 5826 B11R0.148 CCCSCCC/C=C/B(O)O 62a_100000210303_200016261450 [1,1,0,0,0,0|2,0,0]=4 5827 B11R0.148 CCCSCCC/C=C/B(O)O 62a_200016261450_100000210303 [1,1,0,0,0,0|2,0,0]=4 5828 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [1,1,0,0,0,0|2,0,0]=4 5829 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [1,1,0,0,0,0|2,0,0]=4 5830 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [1,1,0,0,0,0|2,0,0]=4 5831 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [1,1,0,0,0,0|2,0,0]=4 5832 B11R0.148 CCCSCCNCC=C(C)C 2230a_100020603323_100000761012 [1,1,0,0,0,0|2,0,0]=4 5833 B11R0.148 CCCSCCOCC=C(C)C 34a_200000230433_100000761012 [1,1,0,0,0,0|2,0,0]=4 5834 B11R0.148 CCCSCCOCC=C(C)C 7a_200000230433_100000761012 [1,1,0,0,0,0|2,0,0]=4 5835 B11R0.148 CCNCCCCCCC(C)C 2230a_100000211014_100000210202 [1,1,0,0,0,0|1,0,1]=4 5836 B11R0.148 CCNCCCCCCC(C)C 34a_100000211014_100000210202 [1,1,0,0,0,0|1,0,1]=4 5837 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [1,1,0,0,0,0|2,0,0]=4 5838 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [1,1,0,0,0,0|2,0,0]=4 5839 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [1,1,0,0,0,0|2,0,0]=4 5840 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [1,1,0,0,0,0|2,0,0]=4 5841 B11R0.148 CCOCCCNCC=C(C)C 2230a_100000210961_100000761012 [1,1,0,0,0,0|2,0,0]=4 5842 B11R0.148 CCOCCCNCC=C(C)C 34a_100000210961_100000761012 [1,1,0,0,0,0|2,0,0]=4 5843 B11R0.148 CCOCCCNCC=C(C)C 34a_100000718196_100012232248 [1,1,0,0,0,0|2,0,0]=4 5844 B11R0.148 CCOCCCOCC=C(C)C 34a_100000753907_100012232248 [1,1,0,0,0,0|2,0,0]=4 5845 B11R0.148 CCOCCCOCC=C(C)C 34a_100000757476_100000761012 [1,1,0,0,0,0|2,0,0]=4 5846 B11R0.148 CCOCCCOCC=C(C)C 7a_100000757476_100000761012 [1,1,0,0,0,0|2,0,0]=4 5847 B11R0.148 CCOCCCSCC=C(C)C 62a_100000761012_100012232248 [1,1,0,0,0,0|2,0,0]=4 5848 B11R0.148 CCOCCCSCC=C(C)C 62a_100012232248_100000761012 [1,1,0,0,0,0|2,0,0]=4 5849 B11R0.148 CCOCCNCCC=C(C)C 2230a_102516460346_100011217483 [1,1,0,0,0,0|2,0,0]=4 5850 B11R0.148 CCOCCNCCC=C(C)C 34a_102516460346_100011217483 [1,1,0,0,0,0|2,0,0]=4 5851 B11R0.148 CCOCCOCCC=C(C)C 34a_100000210136_100011217483 [1,1,0,0,0,0|2,0,0]=4 5852 B11R0.148 CCOCCOCCC=C(C)C 7a_100000210136_100011217483 [1,1,0,0,0,0|2,0,0]=4 5853 B11R0.148 CCOCCSCCC=C(C)C 62a_100000210147_100011217483 [1,1,0,0,0,0|2,0,0]=4 5854 B11R0.148 CCOCCSCCC=C(C)C 62a_100011217483_100011215890 [1,1,0,0,0,0|2,0,0]=4 5855 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [1,1,0,0,0,0|2,0,0]=4 5856 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [1,1,0,0,0,0|2,0,0]=4 5857 B11R0.148 CCSCCCOCC=C(C)C 34a_100011216438_100000761012 [1,1,0,0,0,0|2,0,0]=4 5858 B11R0.148 CCSCCCOCC=C(C)C 7a_100011216438_100000761012 [1,1,0,0,0,0|2,0,0]=4 5859 B11R0.148 CCSCCNCCC=C(C)C 2230a_100000106463_100011217483 [1,1,0,0,0,0|2,0,0]=4 5860 B11R0.148 CCSCCOCCC=C(C)C 34a_100000212035_100011217483 [1,1,0,0,0,0|2,0,0]=4 5861 B11R0.148 CCSCCOCCC=C(C)C 7a_100000212035_100011217483 [1,1,0,0,0,0|2,0,0]=4 5862 B11R0.148 CCSCCSCCC=C(C)C 62a_100000757381_100011217483 [1,1,0,0,0,0|2,0,0]=4 5863 B11R0.148 CCSCCSCCC=C(C)C 62a_100011217483_100000757381 [1,1,0,0,0,0|2,0,0]=4 5864 B11R0.148 CN(C)CCCCCCCCO 2230a_100102631434_100000033203 [1,1,0,0,0,0|1,0,1]=4 5865 B11R0.148 CN(C)CCCCCCCCO 269982a_100102631434_100000033203 [1,1,0,0,0,0|1,0,1]=4 5866 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [1,1,0,0,0,0|2,0,0]=4 5867 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [1,1,0,0,0,0|2,0,0]=4 5868 B11R0.148 CNCCCOCCC=C(C)C 34a_100000213112_100011217483 [1,1,0,0,0,0|2,0,0]=4 5869 B11R0.148 COCCCCCCCC(C)C 34a_200000210741_200000210301 [1,1,0,0,0,0|1,0,1]=4 5870 B11R0.148 COCCCCCCCC(C)C 7a_200000210741_200000210301 [1,1,0,0,0,0|1,0,1]=4 5871 B11R0.148 COCCCCNCC=C(C)C 34a_100000718196_100000755781 [1,1,0,0,0,0|2,0,0]=4 5872 B11R0.148 COCCCCOCC=C(C)C 34a_100000740925_100000761012 [1,1,0,0,0,0|2,0,0]=4 5873 B11R0.148 COCCCCOCC=C(C)C 34a_100000753907_100000755781 [1,1,0,0,0,0|2,0,0]=4 5874 B11R0.148 COCCCCSCC=C(C)C 62a_100000730899_100000761012 [1,1,0,0,0,0|2,0,0]=4 5875 B11R0.148 COCCCCSCC=C(C)C 62a_100000761012_100000730899 [1,1,0,0,0,0|2,0,0]=4 5876 B11R0.148 COCCCNCCC=C(C)C 34a_100150723488_100011217483 [1,1,0,0,0,0|2,0,0]=4 5877 B11R0.148 COCCCOCCC=C(C)C 34a_100000740835_100011217483 [1,1,0,0,0,0|2,0,0]=4 5878 B11R0.148 COCCCSCCC=C(C)C 62a_100000709357_100011217483 [1,1,0,0,0,0|2,0,0]=4 5879 B11R0.148 COCCCSCCC=C(C)C 62a_100011217483_100000709357 [1,1,0,0,0,0|2,0,0]=4 5880 B11R0.148 CSCCCCOCC=C(C)C 34a_100011217163_100000761012 [1,1,0,0,0,0|2,0,0]=4 5881 B11R0.148 CSCCCCOCC=C(C)C 7a_100011217163_100000761012 [1,1,0,0,0,0|2,0,0]=4 5882 B11R0.148 CSCCCNCCC=C(C)C 2230a_100000749238_100011217483 [1,1,0,0,0,0|2,0,0]=4 5883 B11R0.148 CSCCCOCCC=C(C)C 34a_100000690336_100011217483 [1,1,0,0,0,0|2,0,0]=4 5884 B11R0.148 CSCCCOCCC=C(C)C 7a_100000690336_100011217483 [1,1,0,0,0,0|2,0,0]=4 5885 B11R0.148 C[C@@H](Cl)COCCCCCCO 34a_100016084084_100000766143 [1,1,0,0,0,0|1,0,1]=4 5886 B11R0.148 C[C@@H](N)CCOCCCCCO 34a_100000706166_100000746330 [1,1,0,0,0,0|1,0,1]=4 5887 B11R0.148 C[C@@H](N)COCCCCCCO 34a_100000737577_100000766143 [1,1,0,0,0,0|1,0,1]=4 5888 B11R0.148 C[C@@H](O)CNCCCCCCO 2230a_100000686447_100009817552 [1,1,0,0,0,0|1,0,1]=4 5889 B11R0.148 C[C@@H](O)CNCCCCCCO 34a_100000686447_100009817552 [1,1,0,0,0,0|1,0,1]=4 5890 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100000766143_100009817552 [1,1,0,0,0,0|1,0,1]=4 5891 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100009817552_100000766143 [1,1,0,0,0,0|1,0,1]=4 5892 B13R0.2 C#CCC(=O)C=CCCCCCCC 1458a_200015332781_100000184674 [0,2,0,0,0,0|1,0,1]=4 5893 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100000210558_100000184674 [0,2,0,0,0,0|1,0,1]=4 5894 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100011220946_100000210670 [0,2,0,0,0,0|1,0,1]=4 5895 B13R0.2 C#CCC(=O)NCCCCCCCC 1626a_100000229939_100011220946 [0,2,0,0,0,0|2,0,0]=4 5896 B13R0.2 C#CCC(=O)NCCCCCCCC 527a_100000229939_100011220946 [0,2,0,0,0,0|2,0,0]=4 5897 B13R0.2 C#CCCCCCCCC(=O)CCO 1458a_100000087357_100000211926 [0,2,0,0,0,0|0,0,2]=4 5898 B13R0.2 C#CCCCCCCCC(=O)CCO 1458a_100011216618_100153394163 [0,2,0,0,0,0|0,0,2]=4 5899 B13R0.2 C=CCC(=O)C=CCCCCCCC 1458a_200015332781_100000210623 [0,2,0,0,0,0|1,0,1]=4 5900 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210193_100000210670 [0,2,0,0,0,0|1,0,1]=4 5901 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210558_100000210623 [0,2,0,0,0,0|1,0,1]=4 5902 B13R0.2 C=CCC(=O)NCCCCCCCC 11a_100000229939_100000210193 [0,2,0,0,0,0|2,0,0]=4 5903 B13R0.2 C=CCC(=O)NCCCCCCCC 1626a_100000229939_100000210193 [0,2,0,0,0,0|2,0,0]=4 5904 B13R0.2 C=CCC(=O)NCCCCCCCC 240690a_100000229939_100000210193 [0,2,0,0,0,0|2,0,0]=4 5905 B13R0.2 C=CCC(=O)NCCCCCCCC 527a_100000229939_100000210193 [0,2,0,0,0,0|2,0,0]=4 5906 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216160_100000211926 [0,2,0,0,0,0|0,0,2]=4 5907 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216618_100012355270 [0,2,0,0,0,0|0,0,2]=4 5908 B13R0.2 CC/C=C/CCCOCC(=O)CCC 7a_100016287902_100000747444 [0,2,0,0,0,0|1,0,1]=4 5909 B13R0.2 CC/C=C/CCCOCC(C)CCC 34a_100016287902_100011216630 [0,2,0,0,0,0|1,0,0]=3 5910 B13R0.2 CC/C=C/CCCOCC(C)CCC 7a_100016287902_100011216630 [0,2,0,0,0,0|1,0,0]=3 5911 B13R0.2 CC/C=C/CCCOCC(O)COC 34a_100016287902_100011215053 [0,2,0,0,0,0|2,0,0]=4 5912 B13R0.2 CC/C=C/CCCOCC(O)COC 7a_100016287902_100011215053 [0,2,0,0,0,0|2,0,0]=4 5913 B13R0.2 CC/C=C\CCCCOC(C)CCC 34a_100016287862_100000766640 [0,2,0,0,0,0|1,0,0]=3 5914 B13R0.2 CC/C=C\CCCCOC(C)CCC 7a_100016287862_100000766640 [0,2,0,0,0,0|1,0,0]=3 5915 B13R0.2 CC/C=C\CCCCOC(C)CCO 34a_100016287862_100009893172 [0,2,0,0,0,0|2,0,0]=4 5916 B13R0.2 CC/C=C\CCCCOC(C)CCO 7a_100016287862_100009893172 [0,2,0,0,0,0|2,0,0]=4 5917 B13R0.2 CC/C=C\CCCCOC(C)COC 34a_100016287862_100000765312 [0,2,0,0,0,0|2,0,0]=4 5918 B13R0.2 CC/C=C\CCCCOC(C)COC 7a_100016287862_100000765312 [0,2,0,0,0,0|2,0,0]=4 5919 B13R0.2 CC/C=C\CCOCCC(C)CCC 34a_100011217855_100015370543 [0,2,0,0,0,0|1,0,0]=3 5920 B13R0.2 CC/C=C\CCOCCC(C)CCC 7a_100011217855_100015370543 [0,2,0,0,0,0|1,0,0]=3 5921 B13R0.2 CC/C=C\CCOCC[C@@H](N)CCC 34a_100015193777_100015370543 [0,2,0,0,0,0|1,0,0]=3 5922 B13R0.2 CC/C=C\COCCCC(C)CCC 34a_100011713154_100103147603 [0,2,0,0,0,0|1,0,0]=3 5923 B13R0.2 CC/C=C\COCCCC(C)CCC 7a_100011713154_100103147603 [0,2,0,0,0,0|1,0,0]=3 5924 B13R0.2 CC=CC(=O)CCCCCCCCC 1458a_100000210699_100000210670 [0,2,0,0,0,0|1,0,1]=4 5925 B13R0.2 CC=CC(=O)CCCCCCCCO 1458a_100000210699_100000033203 [0,2,0,0,0,0|1,0,1]=4 5926 B13R0.2 CC=CC(=O)NCCCCCCCC 11a_100000229939_100000210699 [0,2,0,0,0,0|1,0,1]=4 5927 B13R0.2 CC=CC(=O)NCCCCCCCC 1626a_100000229939_100000210699 [0,2,0,0,0,0|1,0,1]=4 5928 B13R0.2 CC=CC(=O)NCCCCCCCC 240690a_100000229939_100000210699 [0,2,0,0,0,0|1,0,1]=4 5929 B13R0.2 CCCC(=O)CCCCCCCCO 1458a_100000211992_100000033203 [0,2,0,0,0,0|0,0,2]=4 5930 B13R0.2 CCCC(C)CCCOCC#CCO 34a_100011713154_200000047223 [0,2,0,0,0,0|0,0,2]=4 5931 B13R0.2 CCCC(C)CCCOCC#CCO 7a_100011713154_200000047223 [0,2,0,0,0,0|0,0,2]=4 5932 B13R0.2 CCCC(C)CCCOCCCCO 34a_100011713154_100011216708 [0,2,0,0,0,0|0,0,2]=4 5933 B13R0.2 CCCC(C)CCCOCCCCO 7a_100011713154_100000210776 [0,2,0,0,0,0|0,0,2]=4 5934 B13R0.2 CCCC(C)CCOCCCCCO 34a_100011217855_100000746330 [0,2,0,0,0,0|0,0,2]=4 5935 B13R0.2 CCCC(C)CCOCCCCCO 7a_100011217855_100000746330 [0,2,0,0,0,0|0,0,2]=4 5936 B13R0.2 CCCC(C)CCOCCOCCO 34a_100011217855_100000692535 [0,2,0,0,0,0|1,0,1]=4 5937 B13R0.2 CCCC(C)CCOCCOCCO 7a_100011217855_100011215305 [0,2,0,0,0,0|1,0,1]=4 5938 B13R0.2 CCCC(C)CNCCCCCCO 2230a_100000686447_100011216630 [0,2,0,0,0,0|0,0,2]=4 5939 B13R0.2 CCCC(C)CNCCCCCCO 270004a_100000686447_100000243154 [0,2,0,0,0,0|0,0,2]=4 5940 B13R0.2 CCCC(C)CNCCCCCCO 34a_100000686447_100011216630 [0,2,0,0,0,0|0,0,2]=4 5941 B13R0.2 CCCC(C)COCCCCCCO 34a_100000688023_100000766143 [0,2,0,0,0,0|0,0,2]=4 5942 B13R0.2 CCCC(C)COCCCCCCO 7a_100000688023_100000766143 [0,2,0,0,0,0|0,0,2]=4 5943 B13R0.2 CCCC(C)CSCCCCCCO 62a_100000766143_100011216630 [0,2,0,0,0,0|0,0,2]=4 5944 B13R0.2 CCCC(C)CSCCCCCCO 62a_100011216630_100000766143 [0,2,0,0,0,0|0,0,2]=4 5945 B13R0.2 CCCC(C)NCCCCCCCO 2230a_100000741246_100000760002 [0,2,0,0,0,0|0,0,2]=4 5946 B13R0.2 CCCC(C)NCCCCCCCO 2230a_100011996573_100000766640 [0,2,0,0,0,0|0,0,2]=4 5947 B13R0.2 CCCC(C)NCCCCCCCO 270004a_100011996573_100000211909 [0,2,0,0,0,0|0,0,2]=4 5948 B13R0.2 CCCC(C)NCCCCCCCO 34a_100011996573_100000766640 [0,2,0,0,0,0|0,0,2]=4 5949 B13R0.2 CCCC(C)OCCCCCCCO 34a_100000764384_100000760002 [0,2,0,0,0,0|0,0,2]=4 5950 B13R0.2 CCCC(C)OCCCCCCCO 7a_100000764384_100000760002 [0,2,0,0,0,0|0,0,2]=4 5951 B13R0.2 CCCC(C)SCCCCCCCO 62a_100000760002_100000766640 [0,2,0,0,0,0|0,0,2]=4 5952 B13R0.2 CCCC(C)SCCCCCCCO 62a_100000766640_100000760002 [0,2,0,0,0,0|0,0,2]=4 5953 B13R0.2 CCCCC#CCCCC(=O)CCO 1458a_100011216618_200000047210 [0,2,0,0,0,0|0,0,2]=4 5954 B13R0.2 CCCCC/C=C/CCC(=O)CCO 1458a_200015255902_100000211926 [0,2,0,0,0,0|0,0,2]=4 5955 B13R0.2 CCCCCC/C=C/CC(=O)CCO 1458a_100020681715_100000211926 [0,2,0,0,0,0|0,0,2]=4 5956 B13R0.2 CCCCCCCC=CC(=O)CC#N 1458a_200015332781_100011214920 [0,2,0,0,0,0|1,0,1]=4 5957 B13R0.2 CCCCCCCC=CC(=O)CCC 1458a_200015332781_100000210303 [0,2,0,0,0,0|1,0,1]=4 5958 B13R0.2 CCCCCCCC=CC(=O)CCF 1458a_200015332781_100011217306 [0,2,0,0,0,0|1,0,1]=4 5959 B13R0.2 CCCCCCCC=CC(=O)CCO 1458a_200015332781_100000211926 [0,2,0,0,0,0|0,0,1]=3 5960 B13R0.2 CCCCCCCC=CC(=O)NCC 11a_100015525214_200015332781 [0,2,0,0,0,0|1,0,1]=4 5961 B13R0.2 CCCCCCCC=CC(=O)NCC 240690a_100015525214_200015332781 [0,2,0,0,0,0|1,0,1]=4 5962 B13R0.2 CCCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210670 [0,2,0,0,0,0|1,0,1]=4 5963 B13R0.2 CCCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210670 [0,2,0,0,0,0|1,0,1]=4 5964 B13R0.2 CCCCCCCCCC(=O)C=CI 1458a_100016256311_100000210670 [0,2,0,0,0,0|1,0,1]=4 5965 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100000210558_100011214920 [0,2,0,0,0,0|1,0,1]=4 5966 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210670 [0,2,0,0,0,0|1,0,1]=4 5967 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000210558_100000210303 [0,2,0,0,0,0|1,0,1]=4 5968 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000211992_100000210670 [0,2,0,0,0,0|1,0,1]=4 5969 B13R0.2 CCCCCCCCCC(=O)CCF 1458a_100000210558_100011217306 [0,2,0,0,0,0|1,0,1]=4 5970 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [0,2,0,0,0,0|0,0,1]=3 5971 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [0,2,0,0,0,0|0,0,1]=3 5972 B13R0.2 CCCCCCCCCC(=O)COC 1458a_100000210968_100000210670 [0,2,0,0,0,0|0,0,1]=3 5973 B13R0.2 CCCCCCCCCC(=O)CSC 1458a_100000184570_100000210670 [0,2,0,0,0,0|0,1,1]=4 5974 B13R0.2 CCCCCCCCCC(=O)NCC 11a_100015525214_100000210558 [0,2,0,0,0,0|1,0,1]=4 5975 B13R0.2 CCCCCCCCCC(=O)NCC 240690a_100015525214_100000210558 [0,2,0,0,0,0|1,0,1]=4 5976 B13R0.2 CCCCCCCCCC(=O)NCC 527a_100015525214_100000210558 [0,2,0,0,0,0|1,0,1]=4 5977 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000210263_100011214924 [0,2,0,0,0,0|0,0,2]=4 5978 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000232482_100000211926 [0,2,0,0,0,0|0,0,2]=4 5979 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000210263_100000210670 [0,2,0,0,0,0|0,0,2]=4 5980 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000232482_100000211926 [0,2,0,0,0,0|0,0,2]=4 5981 B13R0.2 CCCCCCCCCN(C)COC 2230a_100000232482_100000766300 [0,2,0,0,0,0|1,0,1]=4 5982 B13R0.2 CCCCCCCCCN(C)COC 269982a_100000232482_100000766300 [0,2,0,0,0,0|1,0,1]=4 5983 B13R0.2 CCCCCCCCNC(=O)C=CBr 1626a_100000229939_100016273825 [0,2,0,0,0,0|1,0,1]=4 5984 B13R0.2 CCCCCCCCNC(=O)C=CBr 240690a_100000229939_100016273825 [0,2,0,0,0,0|1,0,1]=4 5985 B13R0.2 CCCCCCCCNC(=O)C=CCl 11a_100000229939_200016279998 [0,2,0,0,0,0|1,0,1]=4 5986 B13R0.2 CCCCCCCCNC(=O)C=CCl 1626a_100000229939_200016279998 [0,2,0,0,0,0|1,0,1]=4 5987 B13R0.2 CCCCCCCCNC(=O)C=CCl 240690a_100000229939_200016279998 [0,2,0,0,0,0|1,0,1]=4 5988 B13R0.2 CCCCCCCCNC(=O)C=CI 1626a_100000229939_100016256311 [0,2,0,0,0,0|1,0,1]=4 5989 B13R0.2 CCCCCCCCNC(=O)CC#N 1626a_100000229939_100051588842 [0,2,0,0,0,0|2,0,0]=4 5990 B13R0.2 CCCCCCCCNC(=O)CC#N 240690a_100000229939_100051588842 [0,2,0,0,0,0|2,0,0]=4 5991 B13R0.2 CCCCCCCCNC(=O)CCC 11a_100000229939_100000211992 [0,2,0,0,0,0|1,0,1]=4 5992 B13R0.2 CCCCCCCCNC(=O)CCC 1626a_100000229939_100000211992 [0,2,0,0,0,0|1,0,1]=4 5993 B13R0.2 CCCCCCCCNC(=O)CCC 240690a_100000229939_100000211992 [0,2,0,0,0,0|1,0,1]=4 5994 B13R0.2 CCCCCCCCNC(=O)CCC 527a_100000229939_100000211992 [0,2,0,0,0,0|1,0,1]=4 5995 B13R0.2 CCCCCCCCNC(=O)CCO 240690a_100000229939_100011216618 [0,2,0,0,0,0|0,0,1]=3 5996 B13R0.2 CCCCCCCCNC(=O)COC 11a_100000229939_100000210968 [0,2,0,0,0,0|1,0,0]=3 5997 B13R0.2 CCCCCCCCNC(=O)COC 1626a_100000229939_100000210968 [0,2,0,0,0,0|1,0,0]=3 5998 B13R0.2 CCCCCCCCNC(=O)COC 240690a_100000229939_100000210968 [0,2,0,0,0,0|1,0,0]=3 5999 B13R0.2 CCCCCCCCNC(=O)COC 527a_100000229939_100000210968 [0,2,0,0,0,0|1,0,0]=3 6000 B13R0.2 CCCCCCCCNC(=O)CSC 11a_100000229939_100000184570 [0,2,0,0,0,0|1,1,0]=4 6001 B13R0.2 CCCCCCCCNC(=O)CSC 1626a_100000229939_100000184570 [0,2,0,0,0,0|1,1,0]=4 6002 B13R0.2 CCCCCCCCNC(=O)CSC 240690a_100000229939_100000184570 [0,2,0,0,0,0|1,1,0]=4 6003 B13R0.2 CCCCCCCCNC(=O)CSC 527a_100000229939_100000184570 [0,2,0,0,0,0|1,1,0]=4 6004 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100000229939_100015525214 [0,2,0,0,0,0|2,0,0]=4 6005 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100015525214_100000229939 [0,2,0,0,0,0|2,0,0]=4 6006 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100000229939_100015525214 [0,2,0,0,0,0|2,0,0]=4 6007 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100015525214_100000229939 [0,2,0,0,0,0|2,0,0]=4 6008 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100000229939_100015525214 [0,2,0,0,0,0|2,0,0]=4 6009 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100015525214_100000229939 [0,2,0,0,0,0|2,0,0]=4 6010 B13R0.2 CCCCCCCCNC(C)CCO 2230a_100000229939_100009893172 [0,2,0,0,0,0|0,0,2]=4 6011 B13R0.2 CCCCCCCCNC(C)CCO 34a_100000229939_100009893172 [0,2,0,0,0,0|0,0,2]=4 6012 B13R0.2 CCCCCCCCNC(C)COC 2230a_100000229939_100000765312 [0,2,0,0,0,0|1,0,1]=4 6013 B13R0.2 CCCCCCCCNC(C)COC 270004a_100000229939_100000749346 [0,2,0,0,0,0|1,0,1]=4 6014 B13R0.2 CCCCCCCCNC(C)COC 34a_100000229939_100000765312 [0,2,0,0,0,0|1,0,1]=4 6015 B13R0.2 CCCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210759 [0,2,0,0,0,0|0,0,2]=4 6016 B13R0.2 CCCCCCCCN[C@H](C)CCO 34a_100000706166_100000210759 [0,2,0,0,0,0|0,0,2]=4 6017 B13R0.2 CCCCCCCCN[C@H](C)COC 2230a_100000764878_100000210759 [0,2,0,0,0,0|1,0,1]=4 6018 B13R0.2 CCCCCCCCOC(C)CCO 34a_100000210232_100009893172 [0,2,0,0,0,0|0,0,2]=4 6019 B13R0.2 CCCCCCCCOC(C)CCO 7a_100000210232_100009893172 [0,2,0,0,0,0|0,0,2]=4 6020 B13R0.2 CCCCCCCCOC(C)COC 34a_100000210232_100000765312 [0,2,0,0,0,0|1,0,1]=4 6021 B13R0.2 CCCCCCCCOC(C)COC 7a_100000210232_100000765312 [0,2,0,0,0,0|1,0,1]=4 6022 B13R0.2 CCCCCCCCO[C@H](C)COC 34a_100011934205_100000210759 [0,2,0,0,0,0|1,0,1]=4 6023 B13R0.2 CCCCCCCCSC(C)CCO 62a_100000210759_100009893172 [0,2,0,0,0,0|0,0,2]=4 6024 B13R0.2 CCCCCCCCSC(C)CCO 62a_100009893172_100000210317 [0,2,0,0,0,0|0,0,2]=4 6025 B13R0.2 CCCCCCCCSC(C)COC 62a_100000210759_100000765312 [0,2,0,0,0,0|1,0,1]=4 6026 B13R0.2 CCCCCCCCSC(C)COC 62a_100000765312_100000210317 [0,2,0,0,0,0|1,0,1]=4 6027 B13R0.2 CCCCCCCNCC(=O)CCC 2230a_100000229938_100000747444 [0,2,0,0,0,0|1,0,1]=4 6028 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100000229938_100000183381 [0,2,0,0,0,0|2,0,0]=4 6029 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100016988866_100000210681 [0,2,0,0,0,0|2,0,0]=4 6030 B13R0.2 CCCCCCCNCC(=O)NCO 2230a_100000229938_100000185155 [0,2,0,0,0,0|1,0,0]=3 6031 B13R0.2 CCCCCCCNCC(=O)OCC 2230a_100000229938_100000188475 [0,2,0,0,0,0|2,0,0]=4 6032 B13R0.2 CCCCCCCOCC(=O)CCC 7a_100000210272_100000747444 [0,2,0,0,0,0|1,0,1]=4 6033 B13R0.2 CCCCCCCOCC(=O)NCC 34a_100000210272_100000183381 [0,2,0,0,0,0|2,0,0]=4 6034 B13R0.2 CCCCCCCOCC(=O)NCC 7a_100000210272_100000183381 [0,2,0,0,0,0|2,0,0]=4 6035 B13R0.2 CCCCCCCOCC(=O)NCO 34a_100000210272_100000185155 [0,2,0,0,0,0|1,0,0]=3 6036 B13R0.2 CCCCCCCOCC(=O)NCO 7a_100000210272_100000185155 [0,2,0,0,0,0|1,0,0]=3 6037 B13R0.2 CCCCCCCOCC(=O)OCC 34a_100000210272_100000188475 [0,2,0,0,0,0|2,0,0]=4 6038 B13R0.2 CCCCCCCOCC(=O)OCC 7a_100000210272_100000188475 [0,2,0,0,0,0|2,0,0]=4 6039 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000210614_100000747444 [0,2,0,0,0,0|1,0,1]=4 6040 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000747444_100000210316 [0,2,0,0,0,0|1,0,1]=4 6041 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000183381_100000210316 [0,2,0,0,0,0|2,0,0]=4 6042 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000210614_100000183381 [0,2,0,0,0,0|2,0,0]=4 6043 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000185155_100000210316 [0,2,0,0,0,0|1,0,0]=3 6044 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000210614_100000185155 [0,2,0,0,0,0|1,0,0]=3 6045 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000188475_100000210316 [0,2,0,0,0,0|2,0,0]=4 6046 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000210614_100000188475 [0,2,0,0,0,0|2,0,0]=4 6047 B13R0.2 CCCCCCNCCC(=O)NCC 2230a_100000210581_100000737597 [0,2,0,0,0,0|2,0,0]=4 6048 B13R0.2 CCCCCCNCCC(=O)NCC 34a_100025743525_100000210314 [0,2,0,0,0,0|2,0,0]=4 6049 B13R0.2 CCCCCCNCCC(=O)OCC 2230a_100000210581_100011206558 [0,2,0,0,0,0|2,0,0]=4 6050 B13R0.2 CCCCCCOCCC(=O)NCC 7a_100000210259_100000737597 [0,2,0,0,0,0|2,0,0]=4 6051 B13R0.2 CCCCCCOCCC(=O)OCC 34a_100000210259_100000765890 [0,2,0,0,0,0|2,0,0]=4 6052 B13R0.2 CCCCCCOCCC(=O)OCC 7a_100000210259_100011206558 [0,2,0,0,0,0|2,0,0]=4 6053 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000210314_100000737597 [0,2,0,0,0,0|2,0,0]=4 6054 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000737597_100000210757 [0,2,0,0,0,0|2,0,0]=4 6055 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000210314_100000765890 [0,2,0,0,0,0|2,0,0]=4 6056 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000765890_100000210757 [0,2,0,0,0,0|2,0,0]=4 6057 B13R0.2 CCCCCNCCCC(=O)OCC 2230a_100000209983_100009991533 [0,2,0,0,0,0|2,0,0]=4 6058 B13R0.2 CCCCCOCCCC(=O)OCC 34a_100000210253_100009991533 [0,2,0,0,0,0|2,0,0]=4 6059 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100000210253_100011215271 [0,2,0,0,0,0|2,0,0]=4 6060 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100012001163_100000210326 [0,2,0,0,0,0|2,0,0]=4 6061 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100000210326_100009991533 [0,2,0,0,0,0|2,0,0]=4 6062 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100009991533_100000210326 [0,2,0,0,0,0|2,0,0]=4 6063 B13R0.2 CCCCNCCCCC(=O)OCC 2230a_100000102301_100000750268 [0,2,0,0,0,0|2,0,0]=4 6064 B13R0.2 CCCCNCCCCC(=O)OCC 7a_106832991798_100000750268 [0,2,0,0,0,0|2,0,0]=4 6065 B13R0.2 CCCCOCCCCC(=O)OCC 34a_100000210227_100000750268 [0,2,0,0,0,0|2,0,0]=4 6066 B13R0.2 CCCCOCCCCC(=O)OCC 7a_100000210227_100000750268 [0,2,0,0,0,0|2,0,0]=4 6067 B13R0.2 CCCCOCCCNC(=O)CCO 240690a_200000211371_100011216618 [0,2,0,0,0,0|1,0,1]=4 6068 B13R0.2 CCCCOCCCNC(=O)COC 1626a_200000211371_100000210968 [0,2,0,0,0,0|2,0,0]=4 6069 B13R0.2 CCCCOCCCNC(=O)COC 240690a_200000211371_100000210968 [0,2,0,0,0,0|2,0,0]=4 6070 B13R0.2 CCCCOCCCNC(=O)COC 527a_200000211371_100000210968 [0,2,0,0,0,0|2,0,0]=4 6071 B13R0.2 CCCCOCCOCC(=O)CCO 1458a_100011216887_100000211926 [0,2,0,0,0,0|1,0,1]=4 6072 B13R0.2 CCCCOCCOCC(=O)NCO 34a_100000210238_100000185155 [0,2,0,0,0,0|2,0,0]=4 6073 B13R0.2 CCCCOCCOCC(=O)NCO 7a_100000210238_100000185155 [0,2,0,0,0,0|2,0,0]=4 6074 B13R0.2 CCCCOCCSCC(=O)NCO 62a_100000185155_100000743108 [0,2,0,0,0,0|2,0,0]=4 6075 B13R0.2 CCCCOCCSCC(=O)NCO 62a_100000743108_100000185155 [0,2,0,0,0,0|2,0,0]=4 6076 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000210211_100000750268 [0,2,0,0,0,0|2,0,0]=4 6077 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000750268_100000210210 [0,2,0,0,0,0|2,0,0]=4 6078 B13R0.2 CCCCSCCNCC(=O)NCO 2230a_100025743550_100000185155 [0,2,0,0,0,0|2,0,0]=4 6079 B13R0.2 CCCCSCCOCC(=O)NCO 34a_200000230436_100000185155 [0,2,0,0,0,0|2,0,0]=4 6080 B13R0.2 CCCCSCCOCC(=O)NCO 7a_200000230436_100000185155 [0,2,0,0,0,0|2,0,0]=4 6081 B13R0.2 CCCN(C)CCCCCCCCO 2230a_100000747261_100000033203 [0,2,0,0,0,0|0,0,2]=4 6082 B13R0.2 CCCN(C)CCCCCCCCO 269982a_100000747261_100000033203 [0,2,0,0,0,0|0,0,2]=4 6083 B13R0.2 CCCOCCCCCC(=O)OCC 34a_100000210258_100000755133 [0,2,0,0,0,0|2,0,0]=4 6084 B13R0.2 CCCOCCCCCC(=O)OCC 7a_100011214988_100000210303 [0,2,0,0,0,0|2,0,0]=4 6085 B13R0.2 CCCOCCCNCC(=O)NCO 2230a_100011217757_100000185155 [0,2,0,0,0,0|2,0,0]=4 6086 B13R0.2 CCCOCCCNCC(=O)NCO 34a_100011217757_100000185155 [0,2,0,0,0,0|2,0,0]=4 6087 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000210303_100000755133 [0,2,0,0,0,0|2,0,0]=4 6088 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000755133_100000210303 [0,2,0,0,0,0|2,0,0]=4 6089 B13R0.2 CCC[C@H](N)CCOCCCCCO 34a_100015193777_100000746330 [0,2,0,0,0,0|0,0,2]=4 6090 B13R0.2 CCC[C@H](N)CCOCCOCCO 34a_100015193777_100000692535 [0,2,0,0,0,0|1,0,1]=4 6091 B13R0.2 CCC[C@H](N)COCCCCCCO 34a_100000732646_100000766143 [0,2,0,0,0,0|0,0,2]=4 6092 B13R0.2 CCNC(=O)CCCCCCCCO 240690a_100015525214_100000015970 [0,2,0,0,0,0|2,0,0]=4 6093 B13R0.2 CCNCCCCCCC(=O)OCC 2230a_100015525214_100009814379 [0,2,0,0,0,0|2,0,0]=4 6094 B13R0.2 CCOC(=O)CCCCCCCNC 2230a_106832991635_100009991516 [0,2,0,0,0,0|2,0,0]=4 6095 B13R0.2 CCOC(=O)CCCCCCCNC 34a_100102657272_100009991516 [0,2,0,0,0,0|2,0,0]=4 6096 B13R0.2 CCOC(=O)CCCCCCCNC 7a_106832991635_100009991516 [0,2,0,0,0,0|2,0,0]=4 6097 B13R0.2 CCOC(=O)CCCCCCCOC 34a_100138415774_100009991516 [0,2,0,0,0,0|2,0,0]=4 6098 B13R0.2 CCOC(=O)CCCCCCCSC 62a_200000210301_100009991516 [0,2,0,0,0,0|2,0,0]=4 6099 B13R0.2 CCOC(=O)CCCCCCCS[13CH3] 62a_200025704644_100009991516 [0,2,0,0,0,0|2,0,0]=4 6100 B13R0.2 CCOC(=O)CCCCCCSCC 62a_100000210202_100009814379 [0,2,0,0,0,0|2,0,0]=4 6101 B13R0.2 CCOCCCCCCC(=O)OCC 34a_100121572206_100009814379 [0,2,0,0,0,0|2,0,0]=4 6102 B13R0.2 CN(CCO)CCCCCCCCO 2230a_100000210263_100000033203 [0,2,0,0,0,0|1,0,1]=4 6103 B13R0.2 CN(CCO)CCCCCCCCO 269982a_100000210263_100000033203 [0,2,0,0,0,0|1,0,1]=4 6104 B13R0.2 CNCCCCCOCC(=O)NCO 34a_100000722520_100000185155 [0,2,0,0,0,0|2,0,0]=4 6105 B13R0.2 COCC(=O)CCCCCCCCO 1458a_100000210968_100000033203 [0,2,0,0,0,0|1,0,1]=4 6106 B13R0.2 COCC(=O)NCCCCCCCO 240690a_100011996573_100000210968 [0,2,0,0,0,0|2,0,0]=4 6107 B13R0.2 COCCCCCNCC(=O)NCO 2230a_100000747528_100000185155 [0,2,0,0,0,0|2,0,0]=4 6108 B13R0.2 COCCCCCNCC(=O)NCO 34a_100000747528_100000185155 [0,2,0,0,0,0|2,0,0]=4 6109 B13R0.2 NCCCCCCOCC(=O)NCO 34a_100000686447_100000185155 [0,2,0,0,0,0|2,0,0]=4 6110 B13R0.2 O=C(C=CBr)CCCCCCCCO 1458a_100016273825_100000033203 [0,2,0,0,0,0|1,0,1]=4 6111 B13R0.2 O=C(C=CCl)CCCCCCCCO 1458a_200016279998_100000033203 [0,2,0,0,0,0|1,0,1]=4 6112 B13R0.2 O=C(C=CI)CCCCCCCCO 1458a_100016256311_100000033203 [0,2,0,0,0,0|1,0,1]=4 6113 B13R0.2 O=C(CCO)CCCCCCCCO 1458a_100011216618_100000033203 [0,2,0,0,0,0|0,0,1]=3 6114 B13R0.2 O=C(CCO)NCCCCCCCO 240690a_100011996573_100011216618 [0,2,0,0,0,0|1,0,1]=4 6115 B13R0.2 O=C(CNCCCCCCO)NCO 2230a_100000686447_100000185155 [0,2,0,0,0,0|2,0,0]=4 6116 B13R0.2 O=C(CNCCCCCCO)NCO 34a_100000686447_100000185155 [0,2,0,0,0,0|2,0,0]=4 6117 B13R0.2 O=C(COCCCCCCBr)NCO 34a_100011215345_100000185155 [0,2,0,0,0,0|2,0,0]=4 6118 B13R0.2 O=C(COCCCCCCBr)NCO 7a_100011215345_100000185155 [0,2,0,0,0,0|2,0,0]=4 6119 B13R0.2 O=C(COCCCCCCCl)NCO 34a_100000766143_100000185155 [0,2,0,0,0,0|2,0,0]=4 6120 B13R0.2 O=C(COCCCCCCCl)NCO 7a_100000766143_100000185155 [0,2,0,0,0,0|2,0,0]=4 6121 B13R0.2 O=C(COCCCCCCF)NCO 34a_100000732779_100000185155 [0,2,0,0,0,0|2,0,0]=4 6122 B13R0.2 O=C(COCCCCCCF)NCO 7a_100000732779_100000185155 [0,2,0,0,0,0|2,0,0]=4 6123 B13R0.2 O=C(CSCCCCCCF)NCO 62a_100000185155_100015922095 [0,2,0,0,0,0|2,0,0]=4 6124 B13R0.2 O=C(CSCCCCCCF)NCO 62a_100015922095_100000185155 [0,2,0,0,0,0|2,0,0]=4 6125 B13R0.2 O=C(CSCCCCCCO)NCO 62a_100000185155_100000766143 [0,2,0,0,0,0|2,0,0]=4 6126 B13R0.2 O=C(CSCCCCCCO)NCO 62a_100000766143_100000185155 [0,2,0,0,0,0|2,0,0]=4 6127 B13R0.66 C#CCCC(=O)CCCCCCCC 1458a_100000210188_100000753159 [0,2,0,0,0,0|1,0,1]=4 6128 B13R0.66 C#CCCC(=O)CCCCCCCC 1458a_100000692101_100000210759 [0,2,0,0,0,0|1,0,1]=4 6129 B13R0.66 C#CCNC(=O)CCCCCCCC 11a_100000212058_100000210188 [0,2,0,0,0,0|2,0,0]=4 6130 B13R0.66 C#CCNC(=O)CCCCCCCC 1626a_100000212058_100000210188 [0,2,0,0,0,0|2,0,0]=4 6131 B13R0.66 C#CCNC(=O)CCCCCCCC 240690a_100000212058_100000210188 [0,2,0,0,0,0|2,0,0]=4 6132 B13R0.66 C#CCNC(=O)CCCCCCCC 527a_100000212058_100000210188 [0,2,0,0,0,0|2,0,0]=4 6133 B13R0.66 C/C=C/CC(=O)CCCCCCCC 1458a_100000210188_100102629194 [0,2,0,0,0,0|1,0,1]=4 6134 B13R0.66 C=C(COCCCCCC)OCOC 34a_100000210259_100000042856 [0,2,0,0,0,0|2,0,0]=4 6135 B13R0.66 C=C(CSCCCCCC)OCOC 62a_100000042856_100000210757 [0,2,0,0,0,0|2,0,0]=4 6136 B13R0.66 C=C(CSCCCCCC)OCOC 62a_100000210314_100000042856 [0,2,0,0,0,0|2,0,0]=4 6137 B13R0.66 C=CC=CC(=O)CCCCCCCC 1458a_100016291481_100000210759 [0,2,0,0,0,0|1,0,1]=4 6138 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000210188_100000754431 [0,2,0,0,0,0|1,0,1]=4 6139 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000749702_100000210759 [0,2,0,0,0,0|1,0,1]=4 6140 B13R0.66 C=CCNC(=O)CCCCCCCC 1626a_100020586998_100000210188 [0,2,0,0,0,0|2,0,0]=4 6141 B13R0.66 C=CCNC(=O)CCCCCCCC 240690a_100020586998_100000210188 [0,2,0,0,0,0|2,0,0]=4 6142 B13R0.66 C=CCNC(=O)CCCCCCCC 527a_100020586998_100000210188 [0,2,0,0,0,0|2,0,0]=4 6143 B13R0.66 CC/C=C/CCCOC(C)CCCC 34a_100016287902_200011215066 [0,2,0,0,0,0|1,0,0]=3 6144 B13R0.66 CC/C=C/CCCOC(C)CCCC 7a_100016287902_200011215066 [0,2,0,0,0,0|1,0,0]=3 6145 B13R0.66 CC/C=C\CCNCC(C)OCCC 2230a_100015185124_100015370543 [0,2,0,0,0,0|2,0,0]=4 6146 B13R0.66 CC/C=C\CCNCC(C)OCCC 34a_100015185124_100015370543 [0,2,0,0,0,0|2,0,0]=4 6147 B13R0.66 CC/C=C\CCNCC(O)COCC 2230a_102515437182_100015370543 [0,2,0,0,0,0|2,0,0]=4 6148 B13R0.66 CC/C=C\CCNCC(O)COCC 34a_102515437182_100015370543 [0,2,0,0,0,0|2,0,0]=4 6149 B13R0.66 CC/C=C\CCNC[C@H](C)CCCO 2230a_100160569302_100015370543 [0,2,0,0,0,0|2,0,0]=4 6150 B13R0.66 CC/C=C\CCNC[C@H](C)CCCO 34a_100160569302_100015370543 [0,2,0,0,0,0|2,0,0]=4 6151 B13R0.66 CC/C=C\CCOCC(C)CCCC 34a_100011995851_100015370543 [0,2,0,0,0,0|1,0,0]=3 6152 B13R0.66 CC/C=C\CCOCC(C)CCCC 7a_100011995851_100015370543 [0,2,0,0,0,0|1,0,0]=3 6153 B13R0.66 CC/C=C\CCOC[C@@H](N)CCCC 34a_100011934283_100015370543 [0,2,0,0,0,0|1,0,0]=3 6154 B13R0.66 CC/C=C\CCOC[C@@H](N)CCSC 34a_100011827619_100015370543 [0,2,0,0,0,0|2,0,0]=4 6155 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100000210188_100000070051 [0,2,0,0,0,0|1,0,1]=4 6156 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100121576822_100000210759 [0,2,0,0,0,0|1,0,1]=4 6157 B13R0.66 CCC#CC(=O)CCCCCCCC 1458a_100011827653_100000210759 [0,2,0,0,0,0|1,0,1]=4 6158 B13R0.66 CCC=CC(=O)CCCCCCCC 1458a_100000212282_100000210759 [0,2,0,0,0,0|1,0,0]=3 6159 B13R0.66 CCC=CC(=O)CCCCCCCO 1458a_100000212282_100000760002 [0,2,0,0,0,0|1,0,1]=4 6160 B13R0.66 CCC=CC(=O)CCCCCCOC 1458a_100000212282_100011998445 [0,2,0,0,0,0|1,0,1]=4 6161 B13R0.66 CCC=CC(=O)NCCCCCCC 11a_100000229938_100000212282 [0,2,0,0,0,0|1,0,1]=4 6162 B13R0.66 CCC=CC(=O)NCCCCCCC 1626a_100000229938_100000212282 [0,2,0,0,0,0|1,0,1]=4 6163 B13R0.66 CCC=CC(=O)NCCCCCCC 240690a_100000229938_100000212282 [0,2,0,0,0,0|1,0,1]=4 6164 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100000210183_100000760002 [0,2,0,0,0,0|0,0,2]=4 6165 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100011219782_100000210211 [0,2,0,0,0,0|0,0,2]=4 6166 B13R0.66 CCCCC(C)CCCCOCCO 34a_200011021034_100000211926 [0,2,0,0,0,0|0,0,2]=4 6167 B13R0.66 CCCCC(C)CCCCOCCO 7a_200011021034_100000211926 [0,2,0,0,0,0|0,0,2]=4 6168 B13R0.66 CCCCC(C)COCCCCCO 34a_100011995851_100000746330 [0,2,0,0,0,0|0,0,2]=4 6169 B13R0.66 CCCCC(C)COCCCCCO 7a_100011995851_100000746330 [0,2,0,0,0,0|0,0,2]=4 6170 B13R0.66 CCCCC(C)COCCOCCO 34a_100011995851_100000692535 [0,2,0,0,0,0|1,0,1]=4 6171 B13R0.66 CCCCC(C)COCCOCCO 7a_100011995851_100011215305 [0,2,0,0,0,0|1,0,1]=4 6172 B13R0.66 CCCCC(C)NCCCCCCO 2230a_100000126638_100000766143 [0,2,0,0,0,0|0,0,2]=4 6173 B13R0.66 CCCCC(C)NCCCCCCO 2230a_100000686447_200011215066 [0,2,0,0,0,0|0,0,2]=4 6174 B13R0.66 CCCCC(C)NCCCCCCO 270004a_100000686447_100000210087 [0,2,0,0,0,0|0,0,2]=4 6175 B13R0.66 CCCCC(C)NCCCCCCO 34a_100000686447_200011215066 [0,2,0,0,0,0|0,0,2]=4 6176 B13R0.66 CCCCC(C)OCCCCCCO 34a_100000687866_100000766143 [0,2,0,0,0,0|0,0,2]=4 6177 B13R0.66 CCCCC(C)OCCCCCCO 7a_100000687866_100000766143 [0,2,0,0,0,0|0,0,2]=4 6178 B13R0.66 CCCCC(C)SCCCCCCO 62a_100000766143_200011215066 [0,2,0,0,0,0|0,0,2]=4 6179 B13R0.66 CCCCC(C)SCCCCCCO 62a_200011215066_100000766143 [0,2,0,0,0,0|0,0,2]=4 6180 B13R0.66 CCCCCCCCC(=NNCC)C 4a_100000756455_100011216694 [0,2,0,0,0,0|2,0,0]=4 6181 B13R0.66 CCCCCCCCC(=O)C#CCO 1458a_100000049017_100000210759 [0,2,0,0,0,0|0,0,1]=3 6182 B13R0.66 CCCCCCCCC(=O)C=COC 1458a_100016268678_100000210759 [0,2,0,0,0,0|0,0,1]=3 6183 B13R0.66 CCCCCCCCC(=O)CCC#N 1458a_100000210188_100011215226 [0,2,0,0,0,0|1,0,1]=4 6184 B13R0.66 CCCCCCCCC(=O)CCC#N 1458a_100011934036_100000210759 [0,2,0,0,0,0|1,0,1]=4 6185 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210183_100000210759 [0,2,0,0,0,0|1,0,1]=4 6186 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210188_100000210211 [0,2,0,0,0,0|1,0,1]=4 6187 B13R0.66 CCCCCCCCC(=O)CCCF 1458a_100000210188_100011934791 [0,2,0,0,0,0|1,0,1]=4 6188 B13R0.66 CCCCCCCCC(=O)CCCO 1458a_100000210188_100011215043 [0,2,0,0,0,0|0,0,1]=3 6189 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000210188_100000233755 [0,2,0,0,0,0|0,0,1]=3 6190 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000749529_100000210759 [0,2,0,0,0,0|0,0,1]=3 6191 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000174002_100000210759 [0,2,0,0,0,0|0,1,1]=4 6192 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000210188_100000751147 [0,2,0,0,0,0|0,1,1]=4 6193 B13R0.66 CCCCCCCCC(=O)COCC 1458a_100000211967_100000210759 [0,2,0,0,0,0|1,0,1]=4 6194 B13R0.66 CCCCCCCCC(=O)CSCC 1458a_100000230394_100000210759 [0,2,0,0,0,0|1,0,1]=4 6195 B13R0.66 CCCCCCCCC(=O)NCC#N 1626a_100000734998_100000210188 [0,2,0,0,0,0|2,0,0]=4 6196 B13R0.66 CCCCCCCCC(=O)NCC#N 527a_100000734998_100000210188 [0,2,0,0,0,0|2,0,0]=4 6197 B13R0.66 CCCCCCCCC(=O)NCCC 11a_100020643023_100000210188 [0,2,0,0,0,0|1,0,1]=4 6198 B13R0.66 CCCCCCCCC(=O)NCCC 1626a_100020643023_100000210188 [0,2,0,0,0,0|1,0,1]=4 6199 B13R0.66 CCCCCCCCC(=O)NCCC 240690a_100020643023_100000210188 [0,2,0,0,0,0|1,0,1]=4 6200 B13R0.66 CCCCCCCCC(=O)NCCC 527a_100020643023_100000210188 [0,2,0,0,0,0|1,0,1]=4 6201 B13R0.66 CCCCCCCCC(=O)NCCF 11a_100000724931_100000210188 [0,2,0,0,0,0|1,0,1]=4 6202 B13R0.66 CCCCCCCCC(=O)NCCF 1626a_100000724931_100000210188 [0,2,0,0,0,0|1,0,1]=4 6203 B13R0.66 CCCCCCCCC(=O)NCCF 240690a_100000724931_100000210188 [0,2,0,0,0,0|1,0,1]=4 6204 B13R0.66 CCCCCCCCC(=O)NCCF 527a_100000724931_100000210188 [0,2,0,0,0,0|1,0,1]=4 6205 B13R0.66 CCCCCCCCC(=O)NCCO 240690a_100000210304_100000210188 [0,2,0,0,0,0|0,0,1]=3 6206 B13R0.66 CCCCCCCCC(=O)NCCO 527a_100000210304_100000210188 [0,2,0,0,0,0|0,0,1]=3 6207 B13R0.66 CCCCCCCCC(=O)NNCC 22a_100000756455_100000210188 [0,2,0,0,0,0|2,0,0]=4 6208 B13R0.66 CCCCCCCCC(C)NCCO 270004a_100000210304_100011216694 [0,2,0,0,0,0|0,0,2]=4 6209 B13R0.66 CCCCCCCCC(C)OCCO 34a_100000210740_100000211926 [0,2,0,0,0,0|0,0,2]=4 6210 B13R0.66 CCCCCCCCC(C)OCCO 7a_100000210740_100000211926 [0,2,0,0,0,0|0,0,2]=4 6211 B13R0.66 CCCCCCCCN(C)CCCO 2230a_100000207567_100000230001 [0,2,0,0,0,0|0,0,2]=4 6212 B13R0.66 CCCCCCCCN(C)CCCO 2230a_100000213112_100000210759 [0,2,0,0,0,0|0,0,2]=4 6213 B13R0.66 CCCCCCCCN(C)CCCO 269982a_100000207567_100011215043 [0,2,0,0,0,0|0,0,2]=4 6214 B13R0.66 CCCCCCCCN(C)CCCO 269982a_100000213112_100000210759 [0,2,0,0,0,0|0,0,2]=4 6215 B13R0.66 CCCCCCCCN(C)CCOC 2230a_100000207567_100011201679 [0,2,0,0,0,0|1,0,1]=4 6216 B13R0.66 CCCCCCCCN(C)CCOC 2230a_100000743101_100000210759 [0,2,0,0,0,0|1,0,1]=4 6217 B13R0.66 CCCCCCCCN(C)CCOC 269982a_100000207567_100000233755 [0,2,0,0,0,0|1,0,1]=4 6218 B13R0.66 CCCCCCCCN(C)CCOC 269982a_100000743101_100000210759 [0,2,0,0,0,0|1,0,1]=4 6219 B13R0.66 CCCCCCCNC(=O)C=COC 1626a_100000229938_100016268678 [0,2,0,0,0,0|1,0,1]=4 6220 B13R0.66 CCCCCCCNC(=O)C=COC 240690a_100000229938_100016268678 [0,2,0,0,0,0|1,0,1]=4 6221 B13R0.66 CCCCCCCNC(=O)CCOC 11a_100000229938_100000749529 [0,2,0,0,0,0|1,0,1]=4 6222 B13R0.66 CCCCCCCNC(=O)CCOC 1626a_100000229938_100000749529 [0,2,0,0,0,0|1,0,1]=4 6223 B13R0.66 CCCCCCCNC(=O)CCOC 240690a_100000229938_100000749529 [0,2,0,0,0,0|1,0,1]=4 6224 B13R0.66 CCCCCCCNC(=O)CCOC 527a_100000229938_100000749529 [0,2,0,0,0,0|1,0,1]=4 6225 B13R0.66 CCCCCCCNC(=O)NCCO 2708a_100000229938_100000210304 [0,2,0,0,0,0|1,0,1]=4 6226 B13R0.66 CCCCCCCNC(=O)NCCO 273464a_100000210304_100000229938 [0,2,0,0,0,0|1,0,1]=4 6227 B13R0.66 CCCCCCCNC(=O)NCCO 273464a_100000229938_100000210304 [0,2,0,0,0,0|1,0,1]=4 6228 B13R0.66 CCCCCCCNC(=O)NCCO 512a_100000229938_100000210304 [0,2,0,0,0,0|1,0,1]=4 6229 B13R0.66 CCCCCCNC[C@H](C)CCCO 2230a_100160569302_100000210314 [0,2,0,0,0,0|0,0,2]=4 6230 B13R0.66 CCCCCCNC[C@H](C)CCCO 34a_100160569302_100000210314 [0,2,0,0,0,0|0,0,2]=4 6231 B13R0.66 CCCCN(C)CCCCCCCO 2230a_100000207549_100000760002 [0,2,0,0,0,0|0,0,2]=4 6232 B13R0.66 CCCCN(C)CCCCCCCO 269982a_100000207549_100000760002 [0,2,0,0,0,0|0,0,2]=4 6233 B13R0.66 CCCC[C@H](N)COCCCCCO 34a_100011934283_100000746330 [0,2,0,0,0,0|0,0,2]=4 6234 B13R0.66 CCCC[C@H](N)COCCOCCO 34a_100011934283_100000692535 [0,2,0,0,0,0|1,0,1]=4 6235 B13R0.66 COC=CC(=O)CCCCCCCO 1458a_100016268678_100000760002 [0,2,0,0,0,0|1,0,1]=4 6236 B13R0.66 COC=CC(=O)CCCCCCOC 1458a_100016268678_100011998445 [0,2,0,0,0,0|1,0,1]=4 6237 B13R0.66 COCCC(=O)CCCCCCCO 1458a_100000749529_100000760002 [0,2,0,0,0,0|1,0,1]=4 6238 B13R0.66 COCCC(=O)CCCCCCCO 1458a_100011219782_100000233755 [0,2,0,0,0,0|1,0,1]=4 6239 B13R0.66 COCCCCCCC(=O)C#CCO 1458a_100000049017_100011998445 [0,2,0,0,0,0|1,0,1]=4 6240 B13R0.66 COCCCCCCC(=O)CCOC 1458a_100000749529_100011998445 [0,2,0,0,0,0|1,0,1]=4 6241 B13R0.66 O=C(C#CCO)CCCCCCCO 1458a_100000049017_100000760002 [0,2,0,0,0,0|1,0,1]=4 6242 B13R0.66 O=C(CCCCCCCO)NCCO 240690a_100000210304_100011219782 [0,2,0,0,0,0|1,0,1]=4 6243 B13R0.66 O=C(CCCO)CCCCCCCO 1458a_100011219782_100011215043 [0,2,0,0,0,0|1,0,1]=4 6244 B13R0.87 CCC(C)CCCOCC(=O)NCO 7a_100011216074_100000185155 [0,2,0,0,0,0|2,0,0]=4 6245 B13R0.88 CC(C)CCCCCCC(=O)CCF 1458a_100000040743_100011217306 [0,2,0,0,0,0|1,0,1]=4 6246 B13R0.88 CC(C)CCCCCCC(=O)CCO 1458a_100000040743_100000211926 [0,2,0,0,0,0|0,0,1]=3 6247 B13R0.88 CC(C)CCCCCNC(=O)CCO 240690a_100011290863_100011216618 [0,2,0,0,0,0|1,0,1]=4 6248 B13R0.88 CC(C)CCCCOCC(=O)NCO 34a_100011214890_100000185155 [0,2,0,0,0,0|2,0,0]=4 6249 B13R0.88 CC(C)CCCCOCC(=O)NCO 7a_100011214890_100000185155 [0,2,0,0,0,0|2,0,0]=4 6250 B13R0.88 CC(C)CCCCSCC(=O)NCO 62a_100000185155_100011216152 [0,2,0,0,0,0|2,0,0]=4 6251 B13R0.88 CC(C)CCCCSCC(=O)NCO 62a_100011216152_100000185155 [0,2,0,0,0,0|2,0,0]=4 6252 B13R0.88 CCCC(=O)CCCC/C=C/C(C)C 1458a_200016995844_100000210303 [0,2,0,0,0,0|1,0,1]=4 6253 B13R0.88 CCCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210303 [0,2,0,0,0,0|1,0,1]=4 6254 B13R0.88 CCCC(C)CCOC/C=C/B(O)O 34a_100011217855_100016262062 [0,2,0,0,0,0|2,0,0]=4 6255 B13R0.88 CCCC(C)CCOC/C=C/B(O)O 7a_100011217855_100016262062 [0,2,0,0,0,0|2,0,0]=4 6256 B13R0.88 CCCC(C)NCCC/C=C/B(O)O 2230a_100000741246_200016261450 [0,2,0,0,0,0|2,0,0]=4 6257 B13R0.88 CCCC(C)OCCC/C=C/B(O)O 34a_100000764384_200016261450 [0,2,0,0,0,0|2,0,0]=4 6258 B13R0.88 CCCC(C)OCCC/C=C/B(O)O 7a_100000764384_200016261450 [0,2,0,0,0,0|2,0,0]=4 6259 B13R0.88 CCCC(C)SCCC/C=C/B(O)O 62a_100000766640_200016261450 [0,2,0,0,0,0|2,0,0]=4 6260 B13R0.88 CCCC(C)SCCC/C=C/B(O)O 62a_200016261450_100000766640 [0,2,0,0,0,0|2,0,0]=4 6261 B13R0.88 CCC[C@H](N)CCOC/C=C/B(O)O 34a_100015193777_100016262062 [0,2,0,0,0,0|2,0,0]=4 6262 B13R0.88 CCNC(=O)CCCCCCC(C)C 11a_100015525214_100000040743 [0,2,0,0,0,0|2,0,0]=4 6263 B13R0.88 CCNC(=O)CCCCCCC(C)C 240690a_100015525214_100000040743 [0,2,0,0,0,0|2,0,0]=4 6264 B13R0.88 CCNC(=O)CCCCCCC(C)C 527a_100015525214_100000040743 [0,2,0,0,0,0|2,0,0]=4 6265 B13R0.175 CCCCC(C)COCC(=O)NCO 34a_100011995851_100000185155 [0,2,0,0,0,0|2,0,0]=4 6266 B13R0.175 CCCCC(C)COCC(=O)NCO 7a_100011995851_100000185155 [0,2,0,0,0,0|2,0,0]=4 6267 B13R0.175 CCCC[C@H](N)COCC(=O)NCO 34a_100011934283_100000185155 [0,2,0,0,0,0|2,0,0]=4 6268 B13R0.193 CCCCCC(C)CCC(=O)CCC 1458a_100000034243_100000210303 [0,2,0,0,0,0|1,0,1]=4 6269 B13R0.193 CCCCCC(C)CCC(=O)CCF 1458a_100000034243_100011217306 [0,2,0,0,0,0|1,0,1]=4 6270 B13R0.193 CCCCCC(C)CCC(=O)CCO 1458a_100000034243_100000211926 [0,2,0,0,0,0|0,0,1]=3 6271 B13R0.193 CCCCCC(C)CCC(=O)NCC 11a_100015525214_100000034243 [0,2,0,0,0,0|2,0,0]=4 6272 B13R0.193 CCCCCC(C)CCC(=O)NCC 240690a_100015525214_100000034243 [0,2,0,0,0,0|2,0,0]=4 6273 B13R0.193 CCCCCC(C)CCC(=O)NCC 527a_100015525214_100000034243 [0,2,0,0,0,0|2,0,0]=4 6274 B13R0.193 CCCCCC(C)NCC(=O)NCO 2230a_100000211957_100000185155 [0,2,0,0,0,0|2,0,0]=4 6275 B13R0.193 CCCCCC(C)OCC(=O)NCO 34a_100011215632_100000185155 [0,2,0,0,0,0|2,0,0]=4 6276 B13R0.193 CCCCCC(C)OCC(=O)NCO 7a_100011215632_100000185155 [0,2,0,0,0,0|2,0,0]=4 6277 B13R0.193 CCCCCC(C)SCC(=O)NCO 62a_100000185155_200011218191 [0,2,0,0,0,0|2,0,0]=4 6278 B13R0.193 CCCCCC(C)SCC(=O)NCO 62a_200011218191_100000185155 [0,2,0,0,0,0|2,0,0]=4 6279 B13R0.193 CCCCCN(C)CCC(=O)CCO 1458a_100016987678_100000211926 [0,2,0,0,0,0|1,0,1]=4 6280 B13R0.275 CC/C=C(\C)/C(=O)CCCCCCC 1458a_100016988807_100000210614 [0,2,0,0,0,0|1,0,1]=4 6281 B13R0.275 CC/C=C\CCOC(C)C(C)CCC 34a_100000708338_100015370543 [0,2,0,0,0,0|2,0,0]=4 6282 B13R0.275 CC/C=C\CCOC(C)C(C)CCC 7a_100000708338_100015370543 [0,2,0,0,0,0|2,0,0]=4 6283 B13R0.275 CC=CC(=O)C(C)CCCCCCC 1458a_100000210699_200011218727 [0,2,0,0,0,0|1,0,1]=4 6284 B13R0.275 CCCCCCCC(C)C(=O)C=CBr 1458a_100016273825_200011218727 [0,2,0,0,0,0|1,0,1]=4 6285 B13R0.275 CCCCCCCC(C)C(=O)C=CCl 1458a_200016279998_200011218727 [0,2,0,0,0,0|1,0,1]=4 6286 B13R0.275 CCCCCCCC(C)C(=O)C=CI 1458a_100016256311_200011218727 [0,2,0,0,0,0|1,0,1]=4 6287 B13R0.275 CCCCCCCC(C)C(=O)CCC 1458a_100000211992_200011218727 [0,2,0,0,0,0|1,0,1]=4 6288 B13R0.275 CCCCCCCC(C)C(=O)CCO 1458a_100011216618_200011218727 [0,2,0,0,0,0|0,0,1]=3 6289 B13R0.275 CCCCCCCC(C)N(C)CCO 2230a_100000210263_200011218727 [0,2,0,0,0,0|1,0,1]=4 6290 B13R0.275 CCCCCCCC(C)N(C)CCO 269982a_100000210263_200011218727 [0,2,0,0,0,0|1,0,1]=4 6291 B13R0.275 CCCCCCCC(C)N(C)CCO 270004a_100000210263_100000210596 [0,2,0,0,0,0|1,0,1]=4 6292 B13R0.275 CCCCCCCN(C)C(=O)CCO 240690a_100000228206_100011216618 [0,2,0,0,0,0|1,0,1]=4 6293 B13R0.282 CC/C=C/CCCOC(CC)CCC 7a_100016287902_100011219200 [0,2,0,0,0,0|2,0,0]=4 6294 B13R0.282 CC/C=C\COCCC(CCC)SC 34a_100000032865_100103147603 [0,2,0,0,0,0|2,0,0]=4 6295 B13R0.282 CC/C=C\COCCC(CCC)SC 7a_100000032865_100103147603 [0,2,0,0,0,0|2,0,0]=4 6296 B13R0.282 CCCCCCCCN(CC)CCO 2230a_100000210973_100000210759 [0,2,0,0,0,0|1,0,1]=4 6297 B13R0.282 CCCCCCCCN(CC)CCO 269982a_100000210973_100000210759 [0,2,0,0,0,0|1,0,1]=4 6298 B13R0.330 CC/C=C\CCC(=O)CC(C)CCC 1458a_100000748435_100015370543 [0,2,0,0,0,0|1,0,1]=4 6299 B13R0.330 CCCCCCC(=O)CC(=O)NCO 1458a_100102632555_100000185155 [0,2,0,0,0,0|1,0,1]=4 6300 B13R0.330 CCCCCCC(C)NC(=O)CCO 240690a_100000210919_100011216618 [0,2,0,0,0,0|1,0,1]=4 6301 B13R0.330 CCCCCCN(C)CC(=O)NCO 2230a_106256046315_100000185155 [0,2,0,0,0,0|2,0,0]=4 6302 B13R0.330 CCCCCCN(C)CC(=O)NCO 269982a_106256046315_100000185155 [0,2,0,0,0,0|2,0,0]=4 6303 B13R0.335 CC(O)CC(=O)CCCCCCCO 1458a_100011219782_100011218427 [0,2,0,0,0,0|1,0,1]=4 6304 B13R0.335 CC/C=C/CCCOC(C)CC(C)C 34a_100016287902_100000731052 [0,2,0,0,0,0|2,0,0]=4 6305 B13R0.335 CC/C=C/CCCOC(C)CC(C)C 7a_100016287902_100000731052 [0,2,0,0,0,0|2,0,0]=4 6306 B13R0.335 CC/C=C\CCOC[C@@H](N)CC(C)C 34a_100011830311_100015370543 [0,2,0,0,0,0|2,0,0]=4 6307 B13R0.335 CC/C=C\COCC[C@@H](N)CC(C)C 34a_100161151251_100103147603 [0,2,0,0,0,0|2,0,0]=4 6308 B13R0.335 CCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210759 [0,2,0,0,0,0|1,0,1]=4 6309 B13R0.335 CCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210759 [0,2,0,0,0,0|1,0,1]=4 6310 B13R0.335 CCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210759 [0,2,0,0,0,0|1,0,1]=4 6311 B13R0.335 CCCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210759 [0,2,0,0,0,0|1,0,1]=4 6312 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210188_100000210624 [0,2,0,0,0,0|1,0,1]=4 6313 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210759 [0,2,0,0,0,0|1,0,1]=4 6314 B13R0.335 CCCCCCCCC(=O)CC(C)O 1458a_100000210188_100011218427 [0,2,0,0,0,0|0,0,1]=3 6315 B13R0.335 CCCCCCCCC(=O)CC(F)F 1458a_100000210188_100011934356 [0,2,0,0,0,0|1,0,1]=4 6316 B13R0.335 CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210759 [0,2,0,0,0,0|0,0,1]=3 6317 B13R0.335 CCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210188 [0,2,0,0,0,0|2,0,0]=4 6318 B13R0.335 CCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210188 [0,2,0,0,0,0|2,0,0]=4 6319 B13R0.335 CCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210188 [0,2,0,0,0,0|2,0,0]=4 6320 B13R0.335 CCCCCCCCC(=O)NC(C)C 527a_100138425928_100000210188 [0,2,0,0,0,0|2,0,0]=4 6321 B13R0.335 CCCCCCCCN(C)CC(C)O 2230a_100000207567_100011218427 [0,2,0,0,0,0|1,0,1]=4 6322 B13R0.335 CCCCCCCCN(C)CC(C)O 2230a_100000227577_100000210759 [0,2,0,0,0,0|1,0,1]=4 6323 B13R0.335 CCCCCCCCN(C)CC(C)O 269982a_100000207567_100011218427 [0,2,0,0,0,0|1,0,1]=4 6324 B13R0.335 CCCCCCCCN(C)CC(C)O 269982a_100000227577_100000210759 [0,2,0,0,0,0|1,0,1]=4 6325 B13R0.335 CCCCCCCCN(C)C[C@@H](C)O 2230a_100000207567_100009817552 [0,2,0,0,0,0|1,0,1]=4 6326 B13R0.335 CCCCCCCCN(C)C[C@@H](C)O 269982a_100000207567_100009817552 [0,2,0,0,0,0|1,0,1]=4 6327 B13R0.335 CCCCCCCNC(=O)C[C@@H](C)O 240690a_100000229938_100011933948 [0,2,0,0,0,0|1,0,1]=4 6328 B13R0.335 COCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011998445 [0,2,0,0,0,0|1,0,1]=4 6329 B13R0.335 C[C@@H](O)CC(=O)CCCCCCCO 1458a_100011933948_100000760002 [0,2,0,0,0,0|1,0,1]=4 6330 B13R0.340 C/C=C(\C)/C(=O)CCCCCCCC 1458a_100020587367_100000210759 [0,2,0,0,0,0|1,0,1]=4 6331 B13R0.340 CCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210759 [0,2,0,0,0,0|2,0,0]=4 6332 B13R0.340 CCCCCCCCC(=O)C(C)CC 1458a_100000210188_100000758301 [0,2,0,0,0,0|1,0,1]=4 6333 B13R0.340 CCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210759 [0,2,0,0,0,0|1,0,1]=4 6334 B13R0.340 CCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210759 [0,2,0,0,0,0|1,0,1]=4 6335 B13R0.340 CCCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210759 [0,2,0,0,0,0|0,0,1]=3 6336 B13R0.340 CCCCCCCCC(=O)N(C)CC 11a_100000225621_100000210188 [0,2,0,0,0,0|2,0,0]=4 6337 B13R0.340 CCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000210188 [0,2,0,0,0,0|2,0,0]=4 6338 B13R0.340 CCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000210188 [0,2,0,0,0,0|2,0,0]=4 6339 B13R0.340 CCCCCCCCC(=O)N(C)CC 527a_100000225621_100000210188 [0,2,0,0,0,0|2,0,0]=4 6340 B13R0.340 CCCCCCCCC(O)C(=O)CC 1458a_200011995895_100000210202 [0,2,0,0,0,0|1,0,1]=4 6341 B13R0.340 CCCCCCCCC(O)C(=O)CF 1458a_200011995895_100015361967 [0,2,0,0,0,0|1,0,1]=4 6342 B13R0.340 CCCCCCCCN(C)C(=O)CC 11a_100000207567_100000210414 [0,2,0,0,0,0|2,0,0]=4 6343 B13R0.340 CCCCCCCCN(C)C(=O)CC 1626a_100000207567_100000210414 [0,2,0,0,0,0|2,0,0]=4 6344 B13R0.340 CCCCCCCCN(C)C(=O)CC 240690a_100000207567_100000210414 [0,2,0,0,0,0|2,0,0]=4 6345 B13R0.340 CCCCCCCCN(C)C(=O)CC 527a_100000207567_100000210414 [0,2,0,0,0,0|2,0,0]=4 6346 B13R0.340 CCCCCCCCN(C)C(=O)CO 240690a_100000207567_100000210174 [0,2,0,0,0,0|1,0,0]=3 6347 B13R0.340 CCCCCCCCN(C)C(=O)CO 527a_100000207567_100000210174 [0,2,0,0,0,0|1,0,0]=3 6348 B13R0.340 CCCCCCCCN(C)C(C)CO 2230a_100000207567_100012180447 [0,2,0,0,0,0|1,0,1]=4 6349 B13R0.340 CCCCCCCCN(C)C(C)CO 2230a_100000693034_100000210759 [0,2,0,0,0,0|1,0,1]=4 6350 B13R0.340 CCCCCCCCN(C)C(C)CO 269982a_100000693034_100000210759 [0,2,0,0,0,0|1,0,1]=4 6351 B13R0.340 CCCCCCCCN(C)[C@H](C)CO 269982a_100000207567_100016084084 [0,2,0,0,0,0|1,0,1]=4 6352 B13R0.340 CCCCCCCNC(=O)C(O)CO 240690a_100000229938_100011215603 [0,2,0,0,0,0|1,0,1]=4 6353 B13R0.340 COCCCCCCC(=O)C(O)CO 1458a_100011215603_100011998445 [0,2,0,0,0,0|1,0,1]=4 6354 B13R0.340 O=C(CCCCCCCO)C(O)CO 1458a_100011215603_100000760002 [0,2,0,0,0,0|1,0,1]=4 6355 B13R0.367 CCCC(C)CCOCC(=O)NCO 34a_100011217855_100000185155 [0,2,0,0,0,0|2,0,0]=4 6356 B13R0.367 CCCC(C)CCOCC(=O)NCO 7a_100011217855_100000185155 [0,2,0,0,0,0|2,0,0]=4 6357 B13R0.367 CCC[C@H](N)CCOCC(=O)NCO 34a_100015193777_100000185155 [0,2,0,0,0,0|2,0,0]=4 6358 B13R0.1338 CC/C=C\CCOCC(C)(C)CCC 7a_100011995695_100015370543 [0,2,0,0,0,0|2,0,0]=4 6359 B13R0.54 C=C(C)CCOCCCC/C=C\CC 34a_100016287862_100000730704 [0,2,0,0,0,0|1,0,1]=4 6360 B13R0.54 C=C(C)CCOCCCC/C=C\CC 7a_100016287862_100000730704 [0,2,0,0,0,0|1,0,1]=4 6361 B13R0.54 C=C(C)COCCCCC/C=C\CC 34a_100016268722_100000748629 [0,2,0,0,0,0|1,0,1]=4 6362 B13R0.54 C=C(C)COCCCCC/C=C\CC 7a_100016268722_100000748629 [0,2,0,0,0,0|1,0,1]=4 6363 B13R0.54 CC(=O)CCCCCCCCCCO 1458a_100000070787_100009813290 [0,2,0,0,0,0|0,0,2]=4 6364 B13R0.54 CC(Br)CCOCCCCCCCO 34a_100009893172_100000760002 [0,2,0,0,0,0|0,0,2]=4 6365 B13R0.54 CC(Br)COCCCCCCCCO 34a_100012180447_100000033203 [0,2,0,0,0,0|0,0,2]=4 6366 B13R0.54 CC(C)CCCCCCCOCCO 34a_200000210741_100000211926 [0,2,0,0,0,0|0,0,2]=4 6367 B13R0.54 CC(C)CCCCCCCOCCO 7a_200000210741_100000211926 [0,2,0,0,0,0|0,0,2]=4 6368 B13R0.54 CC(C)CCCCCCNCCCO 2230a_100000211014_100000230001 [0,2,0,0,0,0|0,0,2]=4 6369 B13R0.54 CC(C)CCCCCCNCCCO 34a_100000211014_100000230001 [0,2,0,0,0,0|0,0,2]=4 6370 B13R0.54 CC(C)CCCCCNCC#CCO 2230a_100011290863_200000047223 [0,2,0,0,0,0|0,0,2]=4 6371 B13R0.54 CC(C)CCCCCNCC#CCO 34a_100011290863_200000047223 [0,2,0,0,0,0|0,0,2]=4 6372 B13R0.54 CC(C)CCCCCNCCCCO 2230a_100000750430_100000210682 [0,2,0,0,0,0|0,0,2]=4 6373 B13R0.54 CC(C)CCCCCNCCCCO 2230a_100011290863_100000210776 [0,2,0,0,0,0|0,0,2]=4 6374 B13R0.54 CC(C)CCCCCNCCCCO 34a_100000750430_100000210682 [0,2,0,0,0,0|0,0,2]=4 6375 B13R0.54 CC(C)CCCCCNCCCCO 34a_100011290863_100011216708 [0,2,0,0,0,0|0,0,2]=4 6376 B13R0.54 CC(C)CCCCCOCC#CCO 34a_100011995859_200000047223 [0,2,0,0,0,0|0,0,2]=4 6377 B13R0.54 CC(C)CCCCCOCC#CCO 7a_100011995859_200000047223 [0,2,0,0,0,0|0,0,2]=4 6378 B13R0.54 CC(C)CCCCCOCCCCO 34a_100011995859_100011216708 [0,2,0,0,0,0|0,0,2]=4 6379 B13R0.54 CC(C)CCCCCOCCCCO 7a_100011995859_100000210776 [0,2,0,0,0,0|0,0,2]=4 6380 B13R0.54 CC(C)CCCCCSCC#CCO 62a_100000210682_200000047223 [0,2,0,0,0,0|0,0,2]=4 6381 B13R0.54 CC(C)CCCCCSCC#CCO 62a_200000047223_100000210682 [0,2,0,0,0,0|0,0,2]=4 6382 B13R0.54 CC(C)CCCCCSCCCCO 62a_100000210682_100000210776 [0,2,0,0,0,0|0,0,2]=4 6383 B13R0.54 CC(C)CCCCCSCCCCO 62a_100000210776_100000210682 [0,2,0,0,0,0|0,0,2]=4 6384 B13R0.54 CC(C)CCCCNCCCCCO 2230a_100000762737_100011216152 [0,2,0,0,0,0|0,0,2]=4 6385 B13R0.54 CC(C)CCCCNCCCCCO 34a_100000762737_100011216152 [0,2,0,0,0,0|0,0,2]=4 6386 B13R0.54 CC(C)CCCCNCCOCCO 2230a_100000211614_100011216152 [0,2,0,0,0,0|1,0,1]=4 6387 B13R0.54 CC(C)CCCCNCCOCCO 34a_100000211614_100011216152 [0,2,0,0,0,0|1,0,1]=4 6388 B13R0.54 CC(C)CCCCNCCSCCO 2230a_100011219999_100011216152 [0,2,0,0,0,0|1,0,1]=4 6389 B13R0.54 CC(C)CCCCOCCCCCO 34a_100011214890_100000746330 [0,2,0,0,0,0|0,0,2]=4 6390 B13R0.54 CC(C)CCCCOCCCCCO 7a_100011214890_100000746330 [0,2,0,0,0,0|0,0,2]=4 6391 B13R0.54 CC(C)CCCCOCCOCCO 34a_100011214890_100000692535 [0,2,0,0,0,0|1,0,1]=4 6392 B13R0.54 CC(C)CCCCOCCOCCO 7a_100011214890_100011215305 [0,2,0,0,0,0|1,0,1]=4 6393 B13R0.54 CC(C)CCCCSCCCCCO 62a_100000746330_100011216152 [0,2,0,0,0,0|0,0,2]=4 6394 B13R0.54 CC(C)CCCCSCCCCCO 62a_100011216152_100000746330 [0,2,0,0,0,0|0,0,2]=4 6395 B13R0.54 CC(C)CCCCSCCOCCO 62a_100011215305_100011216152 [0,2,0,0,0,0|1,0,1]=4 6396 B13R0.54 CC(C)CCCCSCCOCCO 62a_100011216152_100011215305 [0,2,0,0,0,0|1,0,1]=4 6397 B13R0.54 CC(C)CCCNCCCCCCO 2230a_100000686447_100011214892 [0,2,0,0,0,0|0,0,2]=4 6398 B13R0.54 CC(C)CCCNCCCCCCO 2230a_200000737386_100000766143 [0,2,0,0,0,0|0,0,2]=4 6399 B13R0.54 CC(C)CCCNCCCCCCO 34a_100000686447_100011214892 [0,2,0,0,0,0|0,0,2]=4 6400 B13R0.54 CC(C)CCCNCCCCCCO 34a_200000737386_100000766143 [0,2,0,0,0,0|0,0,2]=4 6401 B13R0.54 CC(C)CCCOCCCCCCO 34a_100000210774_100000766143 [0,2,0,0,0,0|0,0,2]=4 6402 B13R0.54 CC(C)CCCOCCCCCCO 7a_100000210774_100000766143 [0,2,0,0,0,0|0,0,2]=4 6403 B13R0.54 CC(C)CCCSCCCCCCO 62a_100000766143_100011214892 [0,2,0,0,0,0|0,0,2]=4 6404 B13R0.54 CC(C)CCCSCCCCCCO 62a_100011214892_100000766143 [0,2,0,0,0,0|0,0,2]=4 6405 B13R0.54 CC(C)CCNCCCCCCCO 2230a_100011996573_100000210312 [0,2,0,0,0,0|0,0,2]=4 6406 B13R0.54 CC(C)CCNCCCCCCCO 269862a_100011996573_100000185833 [0,2,0,0,0,0|0,0,2]=4 6407 B13R0.54 CC(C)CCNCCCCCCCO 34a_100011996573_100000210312 [0,2,0,0,0,0|0,0,2]=4 6408 B13R0.54 CC(C)CCOCCCCCCCO 34a_100000210254_100000760002 [0,2,0,0,0,0|0,0,2]=4 6409 B13R0.54 CC(C)CCOCCCCCCCO 7a_100000210254_100000760002 [0,2,0,0,0,0|0,0,2]=4 6410 B13R0.54 CC(C)CCSCCCCCCCO 62a_100000210312_100000760002 [0,2,0,0,0,0|0,0,2]=4 6411 B13R0.54 CC(C)CCSCCCCCCCO 62a_100000760002_100000210312 [0,2,0,0,0,0|0,0,2]=4 6412 B13R0.54 CC(C)CNCCCCCCCCO 2230a_100000210953_100000033203 [0,2,0,0,0,0|0,0,2]=4 6413 B13R0.54 CC(C)CNCCCCCCCCO 2230a_102515433106_100000210760 [0,2,0,0,0,0|0,0,2]=4 6414 B13R0.54 CC(C)CNCCCCCCCCO 270004a_102515433106_100000210432 [0,2,0,0,0,0|0,0,2]=4 6415 B13R0.54 CC(C)CNCCCCCCCCO 34a_100000210953_100000033203 [0,2,0,0,0,0|0,0,2]=4 6416 B13R0.54 CC(C)CNCCCCCCCCO 34a_102515433106_100000210624 [0,2,0,0,0,0|0,0,2]=4 6417 B13R0.54 CC(C)COCCCCCCCCO 34a_100000210257_100000033203 [0,2,0,0,0,0|0,0,2]=4 6418 B13R0.54 CC(C)CSCCCCCCCCO 62a_100000033203_100000210760 [0,2,0,0,0,0|0,0,2]=4 6419 B13R0.54 CC(C)CSCCCCCCCCO 62a_100000210624_100000033203 [0,2,0,0,0,0|0,0,2]=4 6420 B13R0.54 CC(C)NCCCCCCCCCO 2230a_100000078944_100000210206 [0,2,0,0,0,0|0,0,2]=4 6421 B13R0.54 CC(C)NCCCCCCCCCO 2230a_100138425928_100009813782 [0,2,0,0,0,0|0,0,2]=4 6422 B13R0.54 CC(C)NCCCCCCCCCO 34a_100000078944_100000210206 [0,2,0,0,0,0|0,0,2]=4 6423 B13R0.54 CC(C)NCCCCCCCCCO 34a_100138425928_100009813782 [0,2,0,0,0,0|0,0,2]=4 6424 B13R0.54 CC(C)OCCCCCCCCCO 34a_100000212225_100009813782 [0,2,0,0,0,0|0,0,2]=4 6425 B13R0.54 CC(C)SCCCCCCCCCO 62a_100000210206_100009813782 [0,2,0,0,0,0|0,0,2]=4 6426 B13R0.54 CC(C)SCCCCCCCCCO 62a_100009813782_100000210206 [0,2,0,0,0,0|0,0,2]=4 6427 B13R0.54 CC(F)COCCCCCCCCO 34a_100015925927_100000033203 [0,2,0,0,0,0|0,0,2]=4 6428 B13R0.54 CC(O)CCCNCCCCCCO 2230a_100000686447_200000718107 [0,2,0,0,0,0|0,0,2]=4 6429 B13R0.54 CC(O)CCCNCCCCCCO 34a_100000686447_200000718107 [0,2,0,0,0,0|0,0,2]=4 6430 B13R0.54 CC(O)CCCSCCCCCCO 62a_100000766143_200000718107 [0,2,0,0,0,0|0,0,2]=4 6431 B13R0.54 CC(O)CCCSCCCCCCO 62a_200000718107_100000766143 [0,2,0,0,0,0|0,0,2]=4 6432 B13R0.54 CC(O)CCNCCCCCCCO 2230a_100011996573_100012276601 [0,2,0,0,0,0|0,0,2]=4 6433 B13R0.54 CC(O)CCNCCCCCCCO 2230a_200000755665_100000760002 [0,2,0,0,0,0|0,0,2]=4 6434 B13R0.54 CC(O)CCNCCCCCCCO 34a_100011996573_100012276601 [0,2,0,0,0,0|0,0,2]=4 6435 B13R0.54 CC(O)CCSCCCCCCCO 62a_100000760002_100012276601 [0,2,0,0,0,0|0,0,2]=4 6436 B13R0.54 CC(O)CCSCCCCCCCO 62a_100012276601_100000760002 [0,2,0,0,0,0|0,0,2]=4 6437 B13R0.54 CC(O)CNCCCCCCCCO 2230a_100000210904_100000033203 [0,2,0,0,0,0|0,0,2]=4 6438 B13R0.54 CC(O)CNCCCCCCCCO 2230a_102515433106_100011218427 [0,2,0,0,0,0|0,0,2]=4 6439 B13R0.54 CC(O)CNCCCCCCCCO 34a_100000210904_100000033203 [0,2,0,0,0,0|0,0,2]=4 6440 B13R0.54 CC(O)CNCCCCCCCCO 34a_102515433106_100011218427 [0,2,0,0,0,0|0,0,2]=4 6441 B13R0.54 CC(O)COCCCCCCCCBr 34a_100009813846_100011218427 [0,2,0,0,0,0|1,0,1]=4 6442 B13R0.54 CC(O)COCCCCCCCCBr 7a_100009813846_100011218427 [0,2,0,0,0,0|1,0,1]=4 6443 B13R0.54 CC(O)COCCCCCCCCCl 34a_100000033203_100011218427 [0,2,0,0,0,0|1,0,1]=4 6444 B13R0.54 CC(O)COCCCCCCCCCl 7a_100000033203_100011218427 [0,2,0,0,0,0|1,0,1]=4 6445 B13R0.54 CC(O)COCCCCCCCCN 34a_102515433106_100011218427 [0,2,0,0,0,0|1,0,1]=4 6446 B13R0.54 CC(O)CSCCCCCCCCO 62a_100000033203_100011218427 [0,2,0,0,0,0|0,0,2]=4 6447 B13R0.54 CC(O)CSCCCCCCCCO 62a_100011218427_100000033203 [0,2,0,0,0,0|0,0,2]=4 6448 B13R0.54 CC/C=C/CCCOCCCC(=O)C 34a_100016287902_100000685027 [0,2,0,0,0,0|1,0,1]=4 6449 B13R0.54 CC/C=C/CCCOCCCC(=O)C 7a_100016287902_100011215641 [0,2,0,0,0,0|1,0,1]=4 6450 B13R0.54 CC/C=C/CCCOCCCC(C)C 34a_100016287902_100011214892 [0,2,0,0,0,0|1,0,0]=3 6451 B13R0.54 CC/C=C/CCCOCCCC(C)C 7a_100016287902_100011214892 [0,2,0,0,0,0|1,0,0]=3 6452 B13R0.54 CC/C=C/CCCOCCCC(C)O 34a_100016287902_200000718107 [0,2,0,0,0,0|1,0,0]=3 6453 B13R0.54 CC/C=C/CCCOCCCC(C)O 7a_100016287902_200000718107 [0,2,0,0,0,0|1,0,0]=3 6454 B13R0.54 CC/C=C/CCCOCCCN(C)C 7a_100016287902_100000757444 [0,2,0,0,0,0|2,0,0]=4 6455 B13R0.54 CC/C=C/CCCOCCOC(C)C 34a_100016287902_100000211751 [0,2,0,0,0,0|2,0,0]=4 6456 B13R0.54 CC/C=C/CCCOCCOC(C)C 7a_100016287902_100000211751 [0,2,0,0,0,0|2,0,0]=4 6457 B13R0.54 CC/C=C/CCCOCCSC(C)C 34a_100016287902_100000730970 [0,2,0,0,0,0|2,0,0]=4 6458 B13R0.54 CC/C=C/CCCOCCSC(C)C 7a_100016287902_100000730970 [0,2,0,0,0,0|2,0,0]=4 6459 B13R0.54 CC/C=C\CCCCCNCC(C)C 269862a_100000210953_100016288537 [0,2,0,0,0,0|1,0,0]=3 6460 B13R0.54 CC/C=C\CCCCCNCC(C)O 269862a_100000210904_100016288537 [0,2,0,0,0,0|1,0,0]=3 6461 B13R0.54 CC/C=C\CCCCCOCC(C)C 34a_100016268722_100000210624 [0,2,0,0,0,0|1,0,0]=3 6462 B13R0.54 CC/C=C\CCCCCOCC(C)C 7a_100016268722_100000210760 [0,2,0,0,0,0|1,0,0]=3 6463 B13R0.54 CC/C=C\CCCCCOCC(C)O 34a_100016268722_100011218427 [0,2,0,0,0,0|1,0,0]=3 6464 B13R0.54 CC/C=C\CCCCCOCC(C)O 7a_100016268722_100011218427 [0,2,0,0,0,0|1,0,0]=3 6465 B13R0.54 CC/C=C\CCCCCOCC(F)F 34a_100016268722_100011934356 [0,2,0,0,0,0|2,0,0]=4 6466 B13R0.54 CC/C=C\CCCCCOCC(F)F 7a_100016268722_100011934356 [0,2,0,0,0,0|2,0,0]=4 6467 B13R0.54 CC/C=C\CCCCCOC[C@@H](C)O 34a_100016268722_100009817552 [0,2,0,0,0,0|1,0,0]=3 6468 B13R0.54 CC/C=C\CCCCCOC[C@@H](C)O 7a_100016268722_100009817552 [0,2,0,0,0,0|1,0,0]=3 6469 B13R0.54 CC/C=C\CCCCOCCC(=O)C 7a_100016287862_100000053229 [0,2,0,0,0,0|1,0,1]=4 6470 B13R0.54 CC/C=C\CCCCOCCC(C)C 34a_100016287862_100000210312 [0,2,0,0,0,0|1,0,0]=3 6471 B13R0.54 CC/C=C\CCCCOCCC(C)C 7a_100016287862_100000210626 [0,2,0,0,0,0|1,0,0]=3 6472 B13R0.54 CC/C=C\CCCCOCCC(C)O 34a_100016287862_100012276601 [0,2,0,0,0,0|1,0,0]=3 6473 B13R0.54 CC/C=C\CCCCOCCC(C)O 7a_100016287862_100012276601 [0,2,0,0,0,0|1,0,0]=3 6474 B13R0.54 CC/C=C\CCCCOCCN(C)C 7a_100016287862_100000755713 [0,2,0,0,0,0|2,0,0]=4 6475 B13R0.54 CC/C=C\CCCCOCOC(C)C 34a_100016287862_100000709892 [0,2,0,0,0,0|2,0,0]=4 6476 B13R0.54 CC/C=C\CCNCCCOC(C)C 2230a_100000737246_100015370543 [0,2,0,0,0,0|2,0,0]=4 6477 B13R0.54 CC/C=C\CCNCCCOC(C)C 34a_100000737246_100015370543 [0,2,0,0,0,0|2,0,0]=4 6478 B13R0.54 CC/C=C\CCOCCCCC(=O)C 34a_100016288707_100009817362 [0,2,0,0,0,0|1,0,1]=4 6479 B13R0.54 CC/C=C\CCOCCCCC(=O)C 7a_100016288707_100000735457 [0,2,0,0,0,0|1,0,1]=4 6480 B13R0.54 CC/C=C\CCOCCCCC(C)C 34a_100011214890_100015370543 [0,2,0,0,0,0|1,0,0]=3 6481 B13R0.54 CC/C=C\CCOCCCCC(C)C 34a_100016288707_100011216152 [0,2,0,0,0,0|1,0,0]=3 6482 B13R0.54 CC/C=C\CCOCCCCC(C)C 7a_100011214890_100015370543 [0,2,0,0,0,0|1,0,0]=3 6483 B13R0.54 CC/C=C\CCOCCCCC(C)C 7a_100016288707_100011216152 [0,2,0,0,0,0|1,0,0]=3 6484 B13R0.54 CC/C=C\CCOCCCNC(C)C 34a_100000182298_100015370543 [0,2,0,0,0,0|2,0,0]=4 6485 B13R0.54 CC/C=C\CCOCCNCC(C)C 34a_100015185251_100015370543 [0,2,0,0,0,0|2,0,0]=4 6486 B13R0.54 CC/C=C\CCOCCOCC(C)C 34a_100000703358_100015370543 [0,2,0,0,0,0|2,0,0]=4 6487 B13R0.54 CC/C=C\CCOCCOCC(C)C 7a_100000703358_100015370543 [0,2,0,0,0,0|2,0,0]=4 6488 B13R0.54 CC/C=C\CCOCCSCC(C)C 34a_200000230437_100015370543 [0,2,0,0,0,0|2,0,0]=4 6489 B13R0.54 CC/C=C\CCOCCSCC(C)C 7a_200000230437_100015370543 [0,2,0,0,0,0|2,0,0]=4 6490 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100000735457_100015370543 [0,2,0,0,0,0|1,0,1]=4 6491 B13R0.54 CC/C=C\CCSCCCCC(=O)C 62a_100015370543_100000735457 [0,2,0,0,0,0|1,0,1]=4 6492 B13R0.54 CC/C=C\CCSCCCCC(C)C 62a_100011216152_100015370543 [0,2,0,0,0,0|1,0,0]=3 6493 B13R0.54 CC/C=C\CCSCCCCC(C)C 62a_100015370543_100011216152 [0,2,0,0,0,0|1,0,0]=3 6494 B13R0.54 CC/C=C\CCSCCCCN(C)C 62a_100015370543_100000690147 [0,2,0,0,0,0|2,0,0]=4 6495 B13R0.54 CC/C=C\CNCCCCCC(C)C 2230a_100011290863_100103147603 [0,2,0,0,0,0|1,0,0]=3 6496 B13R0.54 CC/C=C\CNCCCCCC(C)C 34a_100011290863_100103147603 [0,2,0,0,0,0|1,0,0]=3 6497 B13R0.54 CC/C=C\CNCCCOCC(C)C 2230a_100000205972_100103147603 [0,2,0,0,0,0|2,0,0]=4 6498 B13R0.54 CC/C=C\CNCCCOCC(C)C 34a_100000205972_100103147603 [0,2,0,0,0,0|2,0,0]=4 6499 B13R0.54 CC/C=C\COCCCCCC(C)C 34a_100011995859_100103147603 [0,2,0,0,0,0|1,0,0]=3 6500 B13R0.54 CC/C=C\COCCCCCC(C)C 34a_100016268518_100000210682 [0,2,0,0,0,0|1,0,0]=3 6501 B13R0.54 CC/C=C\COCCCCCC(C)C 7a_100011995859_100103147603 [0,2,0,0,0,0|1,0,0]=3 6502 B13R0.54 CC/C=C\COCCCCNC(C)C 34a_100011521146_100103147603 [0,2,0,0,0,0|2,0,0]=4 6503 B13R0.54 CC/C=C\CSCCCCCC(C)C 62a_100000210682_100103147603 [0,2,0,0,0,0|1,0,0]=3 6504 B13R0.54 CC/C=C\CSCCCCCC(C)C 62a_100103147603_100000210682 [0,2,0,0,0,0|1,0,0]=3 6505 B13R0.54 CCC/C=C/COCCCCC(C)C 34a_100016278788_100011216152 [0,2,0,0,0,0|2,0,0]=4 6506 B13R0.54 CCC/C=C/COCCCCC(C)C 7a_100016278788_100011216152 [0,2,0,0,0,0|2,0,0]=4 6507 B13R0.54 CCCCCCCCC=NNC(C)C 4a_100000741168_100011218696 [0,2,0,0,0,0|2,0,0]=4 6508 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [0,2,0,0,0,0|0,0,2]=4 6509 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [0,2,0,0,0,0|0,0,2]=4 6510 B13R0.54 CCCCCCCCCNCC(=O)O 269956a_100016091260_100000210670 [0,2,0,0,0,0|1,0,1]=4 6511 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000210904_100011214924 [0,2,0,0,0,0|0,0,2]=4 6512 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000212291_100011218427 [0,2,0,0,0,0|0,0,2]=4 6513 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000210904_100011214924 [0,2,0,0,0,0|0,0,2]=4 6514 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000212291_100011218427 [0,2,0,0,0,0|0,0,2]=4 6515 B13R0.54 CCCCCCCCCNC[C@@H](C)O 2230a_100000212291_100009817552 [0,2,0,0,0,0|0,0,2]=4 6516 B13R0.54 CCCCCCCCCNC[C@@H](C)O 34a_100000212291_100009817552 [0,2,0,0,0,0|0,0,2]=4 6517 B13R0.54 CCCCCCCCCOCC(C)O 34a_100000210712_100011218427 [0,2,0,0,0,0|0,0,2]=4 6518 B13R0.54 CCCCCCCCCOCC(C)O 7a_100000210712_100011218427 [0,2,0,0,0,0|0,0,2]=4 6519 B13R0.54 CCCCCCCCCOC[C@@H](C)O 34a_100000210712_100009817552 [0,2,0,0,0,0|0,0,2]=4 6520 B13R0.54 CCCCCCCCCOC[C@@H](C)O 7a_100000210712_100009817552 [0,2,0,0,0,0|0,0,2]=4 6521 B13R0.54 CCCCCCCCCSCC(C)O 62a_100011218427_100000210670 [0,2,0,0,0,0|0,0,2]=4 6522 B13R0.54 CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210670 [0,2,0,0,0,0|0,0,2]=4 6523 B13R0.54 CCCCCCCCNCCC(C)O 2230a_100000229939_100012276601 [0,2,0,0,0,0|0,0,2]=4 6524 B13R0.54 CCCCCCCCNCCC(C)O 2230a_200000755665_100000210759 [0,2,0,0,0,0|0,0,2]=4 6525 B13R0.54 CCCCCCCCNCCC(C)O 34a_100000229939_100012276601 [0,2,0,0,0,0|0,0,2]=4 6526 B13R0.54 CCCCCCCCNOCC(=O)O 269956a_100000106656_100000210759 [0,2,0,0,0,0|2,0,0]=4 6527 B13R0.54 CCCCCCCCOCCC(C)O 34a_100000210232_100012276601 [0,2,0,0,0,0|0,0,2]=4 6528 B13R0.54 CCCCCCCCOCCC(C)O 7a_100000210232_100012276601 [0,2,0,0,0,0|0,0,2]=4 6529 B13R0.54 CCCCCCCCSCCC(C)O 62a_100000210759_100012276601 [0,2,0,0,0,0|0,0,2]=4 6530 B13R0.54 CCCCCCCCSCCC(C)O 62a_100012276601_100000210317 [0,2,0,0,0,0|0,0,2]=4 6531 B13R0.54 CCCCCCCNC/C=C/B(O)O 2230a_100000229938_100016262062 [0,2,0,0,0,0|1,0,0]=3 6532 B13R0.54 CCCCCCCNCCCC(C)O 2230a_100000229938_200000718107 [0,2,0,0,0,0|0,0,2]=4 6533 B13R0.54 CCCCCCCOC/C=C/B(O)O 34a_100000210272_100016262062 [0,2,0,0,0,0|1,0,0]=3 6534 B13R0.54 CCCCCCCOC/C=C/B(O)O 7a_100000210272_100016262062 [0,2,0,0,0,0|1,0,0]=3 6535 B13R0.54 CCCCCCCOCCCC(C)O 34a_100000210272_200000718107 [0,2,0,0,0,0|0,0,2]=4 6536 B13R0.54 CCCCCCCOCCCC(C)O 7a_100000210272_200000718107 [0,2,0,0,0,0|0,0,2]=4 6537 B13R0.54 CCCCCCCSC/C=C/B(O)O 62a_100000210614_100016262062 [0,2,0,0,0,0|1,0,0]=3 6538 B13R0.54 CCCCCCCSC/C=C/B(O)O 62a_100016262062_100000210316 [0,2,0,0,0,0|1,0,0]=3 6539 B13R0.54 CCCCCCCSCCCC(C)O 62a_100000210614_200000718107 [0,2,0,0,0,0|0,0,2]=4 6540 B13R0.54 CCCCCCCSCCCC(C)O 62a_200000718107_100000210316 [0,2,0,0,0,0|0,0,2]=4 6541 B13R0.54 CCCCCCOCCOCC(C)O 34a_100000691444_100011218427 [0,2,0,0,0,0|1,0,1]=4 6542 B13R0.54 CCCCCCOCCOCC(C)O 7a_100000691444_100011218427 [0,2,0,0,0,0|1,0,1]=4 6543 B13R0.54 CCCCCCOCCOC[C@@H](C)O 34a_100000691444_100009817552 [0,2,0,0,0,0|1,0,1]=4 6544 B13R0.54 CCCCCCOCCOC[C@@H](C)O 7a_100000691444_100009817552 [0,2,0,0,0,0|1,0,1]=4 6545 B13R0.54 CCCCCNCCC/C=C/B(O)O 2230a_100000209983_200016261450 [0,2,0,0,0,0|1,0,0]=3 6546 B13R0.54 CCCCCOCCC/C=C/B(O)O 34a_100000210253_200016261450 [0,2,0,0,0,0|1,0,0]=3 6547 B13R0.54 CCCCCOCCC/C=C/B(O)O 7a_100000210253_200016261450 [0,2,0,0,0,0|1,0,0]=3 6548 B13R0.54 CCCCCSCCC/C=C/B(O)O 62a_100000210326_200016261450 [0,2,0,0,0,0|1,0,0]=3 6549 B13R0.54 CCCCCSCCC/C=C/B(O)O 62a_200016261450_100000210326 [0,2,0,0,0,0|1,0,0]=3 6550 B13R0.54 CCCCNCCCCOCC(C)O 34a_200011216965_100011218427 [0,2,0,0,0,0|1,0,1]=4 6551 B13R0.54 CCCCNCCCCOC[C@@H](C)O 34a_200011216965_100009817552 [0,2,0,0,0,0|1,0,1]=4 6552 B13R0.54 CCCCOCCCCOCC(C)O 34a_200000760531_100011218427 [0,2,0,0,0,0|1,0,1]=4 6553 B13R0.54 CCCCOCCCCOCC(C)O 7a_200000760531_100011218427 [0,2,0,0,0,0|1,0,1]=4 6554 B13R0.54 CCCCOCCCCOC[C@@H](C)O 34a_200000760531_100009817552 [0,2,0,0,0,0|1,0,1]=4 6555 B13R0.54 CCCCOCCCCOC[C@@H](C)O 7a_200000760531_100009817552 [0,2,0,0,0,0|1,0,1]=4 6556 B13R0.54 CCCCOCCOC/C=C/B(O)O 34a_100000210238_100016262062 [0,2,0,0,0,0|2,0,0]=4 6557 B13R0.54 CCCCOCCOC/C=C/B(O)O 7a_100000210238_100016262062 [0,2,0,0,0,0|2,0,0]=4 6558 B13R0.54 CCCCOCCSC/C=C/B(O)O 62a_100000743108_100016262062 [0,2,0,0,0,0|2,0,0]=4 6559 B13R0.54 CCCCOCCSC/C=C/B(O)O 62a_100016262062_100000743108 [0,2,0,0,0,0|2,0,0]=4 6560 B13R0.54 CCCCSCCNC/C=C/B(O)O 2230a_100025743550_100016262062 [0,2,0,0,0,0|2,0,0]=4 6561 B13R0.54 CCCCSCCOC/C=C/B(O)O 34a_200000230436_100016262062 [0,2,0,0,0,0|2,0,0]=4 6562 B13R0.54 CCCCSCCOC/C=C/B(O)O 7a_200000230436_100016262062 [0,2,0,0,0,0|2,0,0]=4 6563 B13R0.54 CCCOCCCNC/C=C/B(O)O 2230a_100011217757_100016262062 [0,2,0,0,0,0|2,0,0]=4 6564 B13R0.54 CCCOCCCNC/C=C/B(O)O 34a_100011217757_100016262062 [0,2,0,0,0,0|2,0,0]=4 6565 B13R0.54 CCOCCNCCC/C=C/B(O)O 2230a_102516460346_200016261450 [0,2,0,0,0,0|2,0,0]=4 6566 B13R0.54 CCOCCNCCC/C=C/B(O)O 34a_102516460346_200016261450 [0,2,0,0,0,0|2,0,0]=4 6567 B13R0.54 CCOCCOCCC/C=C/B(O)O 34a_100000210136_200016261450 [0,2,0,0,0,0|2,0,0]=4 6568 B13R0.54 CCOCCOCCC/C=C/B(O)O 7a_100000210136_200016261450 [0,2,0,0,0,0|2,0,0]=4 6569 B13R0.54 CCOCCSCCC/C=C/B(O)O 62a_100000210147_200016261450 [0,2,0,0,0,0|2,0,0]=4 6570 B13R0.54 CCOCCSCCC/C=C/B(O)O 62a_200016261450_100011215890 [0,2,0,0,0,0|2,0,0]=4 6571 B13R0.54 CCSCCNCCC/C=C/B(O)O 2230a_100000106463_200016261450 [0,2,0,0,0,0|2,0,0]=4 6572 B13R0.54 CCSCCOCCC/C=C/B(O)O 34a_100000212035_200016261450 [0,2,0,0,0,0|2,0,0]=4 6573 B13R0.54 CCSCCOCCC/C=C/B(O)O 7a_100000212035_200016261450 [0,2,0,0,0,0|2,0,0]=4 6574 B13R0.54 CCSCCSCCC/C=C/B(O)O 62a_100000757381_200016261450 [0,2,0,0,0,0|2,0,0]=4 6575 B13R0.54 CCSCCSCCC/C=C/B(O)O 62a_200016261450_100000757381 [0,2,0,0,0,0|2,0,0]=4 6576 B13R0.54 CN(C)CCCCCCCCCCO 2230a_100102631434_100009813290 [0,2,0,0,0,0|0,0,2]=4 6577 B13R0.54 CN(C)CCCCCCCCCCO 269982a_100102631434_100009813290 [0,2,0,0,0,0|0,0,2]=4 6578 B13R0.54 CNCCCCCOC/C=C/B(O)O 34a_100000722520_100016262062 [0,2,0,0,0,0|2,0,0]=4 6579 B13R0.54 CNCCCOCCC/C=C/B(O)O 34a_100000213112_200016261450 [0,2,0,0,0,0|2,0,0]=4 6580 B13R0.54 COCCCCCNC/C=C/B(O)O 2230a_100000747528_100016262062 [0,2,0,0,0,0|2,0,0]=4 6581 B13R0.54 COCCCCCNC/C=C/B(O)O 34a_100000747528_100016262062 [0,2,0,0,0,0|2,0,0]=4 6582 B13R0.54 COCCCNCCC/C=C/B(O)O 34a_100150723488_200016261450 [0,2,0,0,0,0|2,0,0]=4 6583 B13R0.54 COCCCOCCC/C=C/B(O)O 34a_100000740835_200016261450 [0,2,0,0,0,0|2,0,0]=4 6584 B13R0.54 COCCCSCCC/C=C/B(O)O 62a_100000709357_200016261450 [0,2,0,0,0,0|2,0,0]=4 6585 B13R0.54 COCCCSCCC/C=C/B(O)O 62a_200016261450_100000709357 [0,2,0,0,0,0|2,0,0]=4 6586 B13R0.54 COCCNCCCCCCC(C)C 2230a_100000211014_100011201679 [0,2,0,0,0,0|1,0,1]=4 6587 B13R0.54 COCCNCCCCCCC(C)C 34a_100000211014_100011201679 [0,2,0,0,0,0|1,0,1]=4 6588 B13R0.54 CSCCCNCCC/C=C/B(O)O 2230a_100000749238_200016261450 [0,2,0,0,0,0|2,0,0]=4 6589 B13R0.54 CSCCCOCCC/C=C/B(O)O 34a_100000690336_200016261450 [0,2,0,0,0,0|2,0,0]=4 6590 B13R0.54 CSCCCOCCC/C=C/B(O)O 7a_100000690336_200016261450 [0,2,0,0,0,0|2,0,0]=4 6591 B13R0.54 C[C@@H](Cl)COCCCCCCCCO 34a_100016084084_100000033203 [0,2,0,0,0,0|0,0,2]=4 6592 B13R0.54 C[C@@H](N)CCOCCCCCCCO 34a_100000706166_100000760002 [0,2,0,0,0,0|0,0,2]=4 6593 B13R0.54 C[C@@H](N)COCCCCCCCCO 34a_100000737577_100000033203 [0,2,0,0,0,0|0,0,2]=4 6594 B13R0.54 C[C@@H](O)CNCCCCCCCCO 2230a_102515433106_100009817552 [0,2,0,0,0,0|0,0,2]=4 6595 B13R0.54 C[C@@H](O)CNCCCCCCCCO 34a_102515433106_100009817552 [0,2,0,0,0,0|0,0,2]=4 6596 B13R0.54 C[C@@H](O)COCCCCCCCCBr 34a_100009813846_100009817552 [0,2,0,0,0,0|1,0,1]=4 6597 B13R0.54 C[C@@H](O)COCCCCCCCCBr 7a_100009813846_100009817552 [0,2,0,0,0,0|1,0,1]=4 6598 B13R0.54 C[C@@H](O)COCCCCCCCCCl 34a_100000033203_100009817552 [0,2,0,0,0,0|1,0,1]=4 6599 B13R0.54 C[C@@H](O)COCCCCCCCCCl 7a_100000033203_100009817552 [0,2,0,0,0,0|1,0,1]=4 6600 B13R0.54 C[C@@H](O)COCCCCCCCCN 34a_102515433106_100009817552 [0,2,0,0,0,0|1,0,1]=4 6601 B13R0.54 C[C@@H](O)CSCCCCCCCCO 62a_100000033203_100009817552 [0,2,0,0,0,0|0,0,2]=4 6602 B13R0.54 C[C@@H](O)CSCCCCCCCCO 62a_100009817552_100000033203 [0,2,0,0,0,0|0,0,2]=4 6603 B13R0.54 NCCCCCCOC/C=C/B(O)O 34a_100000686447_100016262062 [0,2,0,0,0,0|2,0,0]=4 6604 B13R0.54 NCCCCOCCC/C=C/B(O)O 34a_100000750430_200016261450 [0,2,0,0,0,0|2,0,0]=4 6605 B13R0.54 OB(O)/C=C/CCCOCCCCBr 34a_100011216708_200016261450 [0,2,0,0,0,0|2,0,0]=4 6606 B13R0.54 OB(O)/C=C/CCCOCCCCCl 34a_100000210776_200016261450 [0,2,0,0,0,0|2,0,0]=4 6607 B13R0.54 OB(O)/C=C/CCCOCCCCCl 7a_100000210776_200016261450 [0,2,0,0,0,0|2,0,0]=4 6608 B13R0.54 OB(O)/C=C/CCCOCCCCF 34a_100011995726_200016261450 [0,2,0,0,0,0|2,0,0]=4 6609 B13R0.54 OB(O)/C=C/CCCOCCCCF 7a_100011995726_200016261450 [0,2,0,0,0,0|2,0,0]=4 6610 B13R0.54 OB(O)/C=C/CCCOCCCCI 34a_200012148704_200016261450 [0,2,0,0,0,0|2,0,0]=4 6611 B13R0.54 OB(O)/C=C/CCCSCCCCF 62a_100000729493_200016261450 [0,2,0,0,0,0|2,0,0]=4 6612 B13R0.54 OB(O)/C=C/CCCSCCCCF 62a_200016261450_100000729493 [0,2,0,0,0,0|2,0,0]=4 6613 B13R0.54 OB(O)/C=C/COCCCCCCBr 34a_100011215345_100016262062 [0,2,0,0,0,0|2,0,0]=4 6614 B13R0.54 OB(O)/C=C/COCCCCCCBr 7a_100011215345_100016262062 [0,2,0,0,0,0|2,0,0]=4 6615 B13R0.54 OB(O)/C=C/COCCCCCCCl 34a_100000766143_100016262062 [0,2,0,0,0,0|2,0,0]=4 6616 B13R0.54 OB(O)/C=C/COCCCCCCCl 7a_100000766143_100016262062 [0,2,0,0,0,0|2,0,0]=4 6617 B13R0.54 OB(O)/C=C/COCCCCCCF 34a_100000732779_100016262062 [0,2,0,0,0,0|2,0,0]=4 6618 B13R0.54 OB(O)/C=C/COCCCCCCF 7a_100000732779_100016262062 [0,2,0,0,0,0|2,0,0]=4 6619 B13R0.54 OB(O)/C=C/CSCCCCCCF 62a_100015922095_100016262062 [0,2,0,0,0,0|2,0,0]=4 6620 B13R0.54 OB(O)/C=C/CSCCCCCCF 62a_100016262062_100015922095 [0,2,0,0,0,0|2,0,0]=4 6621 B13R0.54 OCCCCCCNC/C=C/B(O)O 2230a_100000686447_100016262062 [0,2,0,0,0,0|2,0,0]=4 6622 B13R0.54 OCCCCCCNC/C=C/B(O)O 34a_100000686447_100016262062 [0,2,0,0,0,0|2,0,0]=4 6623 B13R0.54 OCCCCCCSC/C=C/B(O)O 62a_100000766143_100016262062 [0,2,0,0,0,0|2,0,0]=4 6624 B13R0.54 OCCCCCCSC/C=C/B(O)O 62a_100016262062_100000766143 [0,2,0,0,0,0|2,0,0]=4 6625 B13R0.54 OCCCCNCCC/C=C/B(O)O 2230a_100000750430_200016261450 [0,2,0,0,0,0|2,0,0]=4 6626 B13R0.54 OCCCCNCCC/C=C/B(O)O 34a_100000750430_200016261450 [0,2,0,0,0,0|2,0,0]=4 6627 B13R0.54 OCCCCSCCC/C=C/B(O)O 62a_100000210776_200016261450 [0,2,0,0,0,0|2,0,0]=4 6628 B13R0.54 OCCCCSCCC/C=C/B(O)O 62a_200016261450_100000210776 [0,2,0,0,0,0|2,0,0]=4 6629 B13R0.147 C#C/C(=C\COCCCCCCC)/C 34a_100016990848_100000210614 [0,2,0,0,0,0|1,0,1]=4 6630 B13R0.147 C#CC(C)OCCCCC/C=C\CC 34a_100016268722_200000035995 [0,2,0,0,0,0|2,0,0]=4 6631 B13R0.147 C=CC(O)CNCCCCCCCC 2230a_100000229939_100000730141 [0,2,0,0,0,0|1,0,1]=4 6632 B13R0.147 C=CC(O)CNCCCCCCCC 34a_100000229939_100000730141 [0,2,0,0,0,0|1,0,1]=4 6633 B13R0.147 C=CC(O)COCCCCCCCC 34a_100000210232_100000730141 [0,2,0,0,0,0|1,0,1]=4 6634 B13R0.147 C=CC(O)COCCCCCCCC 7a_100000210232_100000730141 [0,2,0,0,0,0|1,0,1]=4 6635 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000210759_100000730141 [0,2,0,0,0,0|1,0,1]=4 6636 B13R0.147 C=CC(O)CSCCCCCCCC 62a_100000730141_100000210317 [0,2,0,0,0,0|1,0,1]=4 6637 B13R0.147 C=CCCCCCCCCC(=O)CO 1458a_100000210174_100011933949 [0,2,0,0,0,0|0,0,2]=4 6638 B13R0.147 CC(CO)NCCCCCCCCO 2230a_102515433106_100012180447 [0,2,0,0,0,0|1,0,1]=4 6639 B13R0.147 CC(CO)NCCCCCCCCO 34a_102515433106_100012180447 [0,2,0,0,0,0|1,0,1]=4 6640 B13R0.147 CC(CO)OCCCCCCCCBr 34a_100009813846_100012180447 [0,2,0,0,0,0|1,0,1]=4 6641 B13R0.147 CC(CO)OCCCCCCCCBr 7a_100009813846_100012180447 [0,2,0,0,0,0|1,0,1]=4 6642 B13R0.147 CC(CO)OCCCCCCCCCl 34a_100000033203_100012180447 [0,2,0,0,0,0|1,0,1]=4 6643 B13R0.147 CC(CO)OCCCCCCCCCl 7a_100000033203_100012180447 [0,2,0,0,0,0|1,0,1]=4 6644 B13R0.147 CC(CO)OCCCCCCCCN 34a_102515433106_100012180447 [0,2,0,0,0,0|1,0,1]=4 6645 B13R0.147 CC(CO)SCCCCCCCCO 62a_100012180447_100000033203 [0,2,0,0,0,0|1,0,1]=4 6646 B13R0.147 CC/C=C\CCCCCNC(C)CC 269862a_100000209981_100016288537 [0,2,0,0,0,0|1,0,0]=3 6647 B13R0.147 CC/C=C\CCCCCN[C@H](C)CF 269862a_100102880703_100016288537 [0,2,0,0,0,0|2,0,0]=4 6648 B13R0.147 CC/C=C\CCCCCN[C@H](C)CO 269862a_100000737577_100016288537 [0,2,0,0,0,0|2,0,0]=4 6649 B13R0.147 CC/C=C\CCCCCOC(C)C#N 7a_100016268722_100000703298 [0,2,0,0,0,0|2,0,0]=4 6650 B13R0.147 CC/C=C\CCCCCOC(C)CC 34a_100016268722_100011215416 [0,2,0,0,0,0|1,0,0]=3 6651 B13R0.147 CC/C=C\CCCCCOC(C)CC 7a_100016268722_100000758301 [0,2,0,0,0,0|1,0,0]=3 6652 B13R0.147 CC/C=C\CCCCCOC(C)CO 34a_100016268722_100012180447 [0,2,0,0,0,0|2,0,0]=4 6653 B13R0.147 CC/C=C\CCCCCOC(C)CO 7a_100016268722_100012180447 [0,2,0,0,0,0|2,0,0]=4 6654 B13R0.147 CC/C=C\CCCCOCC(=O)CC 7a_100016287862_100000747405 [0,2,0,0,0,0|1,0,1]=4 6655 B13R0.147 CC/C=C\CCCCOCC(C)CC 34a_100016287862_100000748023 [0,2,0,0,0,0|1,0,0]=3 6656 B13R0.147 CC/C=C\CCCCOCC(C)CC 7a_100016287862_100000748023 [0,2,0,0,0,0|1,0,0]=3 6657 B13R0.147 CC/C=C\CCCCOCC(O)CC 34a_100016287862_100011218378 [0,2,0,0,0,0|1,0,0]=3 6658 B13R0.147 CC/C=C\CCCCOCC(O)CC 7a_100016287862_100011218378 [0,2,0,0,0,0|1,0,0]=3 6659 B13R0.147 CC/C=C\CCCCOCC(O)CO 34a_100016287862_100011219619 [0,2,0,0,0,0|2,0,0]=4 6660 B13R0.147 CC/C=C\CCCCOCC(O)CO 7a_100016287862_100011219619 [0,2,0,0,0,0|2,0,0]=4 6661 B13R0.147 CC/C=C\CCCCOC[C@@H](C)CC 34a_100016287862_100009816398 [0,2,0,0,0,0|1,0,0]=3 6662 B13R0.147 CC/C=C\CCCCOC[C@@H](C)CC 7a_100016287862_100009816398 [0,2,0,0,0,0|1,0,0]=3 6663 B13R0.147 CC/C=C\CCCCOC[C@@H](C)CO 34a_100016287862_100000059175 [0,2,0,0,0,0|2,0,0]=4 6664 B13R0.147 CC/C=C\CCCCOC[C@@H](C)CO 7a_100016287862_100000059175 [0,2,0,0,0,0|2,0,0]=4 6665 B13R0.147 CC/C=C\CCCCOC[C@@H](O)CF 34a_100016287862_100015614560 [0,2,0,0,0,0|2,0,0]=4 6666 B13R0.147 CC/C=C\CCCCOC[C@@H](O)CF 7a_100016287862_100015614560 [0,2,0,0,0,0|2,0,0]=4 6667 B13R0.147 CC/C=C\CCCCOC[C@@H](O)CO 34a_100016287862_100009815848 [0,2,0,0,0,0|2,0,0]=4 6668 B13R0.147 CC/C=C\CCCCOC[C@@H](O)CO 7a_100016287862_100009815848 [0,2,0,0,0,0|2,0,0]=4 6669 B13R0.147 CC/C=C\CCOCCCC(C)CC 7a_100011216074_100015370543 [0,2,0,0,0,0|1,0,0]=3 6670 B13R0.147 CC/C=C\CCOCCCN(C)CC 7a_100016288707_100015186262 [0,2,0,0,0,0|2,0,0]=4 6671 B13R0.147 CC/C=C\CCOCCC[C@@H](C)CN 34a_100160569302_100015370543 [0,2,0,0,0,0|2,0,0]=4 6672 B13R0.147 CC/C=C\CCSCCCN(C)CC 62a_100015370543_100015186262 [0,2,0,0,0,0|2,0,0]=4 6673 B13R0.147 CCC#CCCCCCCC(=O)CO 1458a_100000210174_200000036426 [0,2,0,0,0,0|0,0,2]=4 6674 B13R0.147 CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210202 [0,2,0,0,0,0|1,0,1]=4 6675 B13R0.147 CCC(=O)CCCCCCCCCO 1458a_100000210414_100009813782 [0,2,0,0,0,0|0,0,2]=4 6676 B13R0.147 CCC(=O)NCCCCCCCCO 240690a_102515433106_100000210414 [0,2,0,0,0,0|2,0,0]=4 6677 B13R0.147 CCC(C)CCCCCOCCCO 7a_200000035636_100011215043 [0,2,0,0,0,0|0,0,2]=4 6678 B13R0.147 CCC(C)CCCCCOCCOC 7a_200000035636_100000233755 [0,2,0,0,0,0|1,0,1]=4 6679 B13R0.147 CCC(C)CCCOCCCCCO 7a_100011216074_100000746330 [0,2,0,0,0,0|0,0,2]=4 6680 B13R0.147 CCC(C)CCCOCCOCCO 7a_100011216074_100011215305 [0,2,0,0,0,0|1,0,1]=4 6681 B13R0.147 CCC(C)CCNCCCCCCO 2230a_100020591266_100000766143 [0,2,0,0,0,0|0,0,2]=4 6682 B13R0.147 CCC(C)CCOCCCCCCO 7a_100011215188_100000766143 [0,2,0,0,0,0|0,0,2]=4 6683 B13R0.147 CCC(C)CNCCCCCCCO 2230a_100011996573_100000748023 [0,2,0,0,0,0|0,0,2]=4 6684 B13R0.147 CCC(C)CNCCCCCCCO 2230a_100020588543_100000760002 [0,2,0,0,0,0|0,0,2]=4 6685 B13R0.147 CCC(C)CNCCCCCCCO 270004a_100011996573_100000243153 [0,2,0,0,0,0|0,0,2]=4 6686 B13R0.147 CCC(C)CNCCCCCCCO 34a_100011996573_100000748023 [0,2,0,0,0,0|0,0,2]=4 6687 B13R0.147 CCC(C)CSCCCCCCCO 62a_100000748023_100000760002 [0,2,0,0,0,0|0,0,2]=4 6688 B13R0.147 CCC(C)CSCCCCCCCO 62a_100000760002_100000748023 [0,2,0,0,0,0|0,0,2]=4 6689 B13R0.147 CCC(C)NCCCCCCCCO 2230a_100000209981_100000033203 [0,2,0,0,0,0|0,0,2]=4 6690 B13R0.147 CCC(C)NCCCCCCCCO 2230a_102515433106_100000758301 [0,2,0,0,0,0|0,0,2]=4 6691 B13R0.147 CCC(C)NCCCCCCCCO 34a_102515433106_100011215416 [0,2,0,0,0,0|0,0,2]=4 6692 B13R0.147 CCC(C)OCCCCCCCCO 7a_100000210228_100000033203 [0,2,0,0,0,0|0,0,2]=4 6693 B13R0.147 CCC(C)SCCCCCCCCO 62a_100000033203_100000758301 [0,2,0,0,0,0|0,0,2]=4 6694 B13R0.147 CCC(C)SCCCCCCCCO 62a_100000758301_100000033203 [0,2,0,0,0,0|0,0,2]=4 6695 B13R0.147 CCC(O)CNCCCCCCCO 2230a_100011218483_100000760002 [0,2,0,0,0,0|0,0,2]=4 6696 B13R0.147 CCC(O)CNCCCCCCCO 2230a_100011996573_100011218378 [0,2,0,0,0,0|0,0,2]=4 6697 B13R0.147 CCC(O)CNCCCCCCCO 34a_100011996573_100011218378 [0,2,0,0,0,0|0,0,2]=4 6698 B13R0.147 CCC(O)CSCCCCCCCO 62a_100000760002_100011218378 [0,2,0,0,0,0|0,0,2]=4 6699 B13R0.147 CCC(O)CSCCCCCCCO 62a_100011218378_100000760002 [0,2,0,0,0,0|0,0,2]=4 6700 B13R0.147 CCCCCCCCC=CC(=O)CC 1458a_100015345288_100000210202 [0,2,0,0,0,0|1,0,0]=3 6701 B13R0.147 CCCCCCCCC=CC(=O)CF 1458a_100015345288_100015361967 [0,2,0,0,0,0|1,0,0]=3 6702 B13R0.147 CCCCCCCCC=CC(=O)NC 11a_106832991635_100015345288 [0,2,0,0,0,0|0,0,2]=4 6703 B13R0.147 CCCCCCCCC=CC(=O)NC 1626a_100102657272_100015345288 [0,2,0,0,0,0|0,0,2]=4 6704 B13R0.147 CCCCCCCCC=CC(=O)NC 240690a_100102657272_100015345288 [0,2,0,0,0,0|0,0,2]=4 6705 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210375_100000210202 [0,2,0,0,0,0|1,0,1]=4 6706 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210414_100000210319 [0,2,0,0,0,0|1,0,1]=4 6707 B13R0.147 CCCCCCCCCCC(=O)CF 1458a_100000210375_100015361967 [0,2,0,0,0,0|1,0,1]=4 6708 B13R0.147 CCCCCCCCCCC(=O)CO 1458a_100000210174_100000210319 [0,2,0,0,0,0|0,0,1]=3 6709 B13R0.147 CCCCCCCCCCC(C)OC 34a_100011215000_200000210301 [0,2,0,0,0,0|0,0,2]=4 6710 B13R0.147 CCCCCCCCCCC(C)OC 7a_100011215000_200000210301 [0,2,0,0,0,0|0,0,2]=4 6711 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 34a_100011215000_200025704644 [0,2,0,0,0,0|0,0,2]=4 6712 B13R0.147 CCCCCCCCCCC(C)O[13CH3] 7a_100011215000_200025704644 [0,2,0,0,0,0|0,0,2]=4 6713 B13R0.147 CCCCCCCCCNC(=O)CC 11a_100000212291_100000210414 [0,2,0,0,0,0|1,0,1]=4 6714 B13R0.147 CCCCCCCCCNC(=O)CC 1626a_100000212291_100000210414 [0,2,0,0,0,0|1,0,1]=4 6715 B13R0.147 CCCCCCCCCNC(=O)CC 240690a_100000212291_100000210414 [0,2,0,0,0,0|1,0,1]=4 6716 B13R0.147 CCCCCCCCCNC(=O)CC 527a_100000212291_100000210414 [0,2,0,0,0,0|1,0,1]=4 6717 B13R0.147 CCCCCCCCCNC(=O)CO 240690a_100000212291_100000210174 [0,2,0,0,0,0|0,0,1]=3 6718 B13R0.147 CCCCCCCCCNC(=O)CO 527a_100000212291_100000210174 [0,2,0,0,0,0|0,0,1]=3 6719 B13R0.147 CCCCCCCCCNC(C)CO 2230a_100000212291_100012180447 [0,2,0,0,0,0|0,0,2]=4 6720 B13R0.147 CCCCCCCCCNC(C)CO 34a_100000212291_100012180447 [0,2,0,0,0,0|0,0,2]=4 6721 B13R0.147 CCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011214924 [0,2,0,0,0,0|0,0,2]=4 6722 B13R0.147 CCCCCCCCCOC(C)CO 34a_100000210712_100012180447 [0,2,0,0,0,0|0,0,2]=4 6723 B13R0.147 CCCCCCCCCOC(C)CO 7a_100000210712_100012180447 [0,2,0,0,0,0|0,0,2]=4 6724 B13R0.147 CCCCCCCCCSC(C)CO 62a_100012180447_100000210670 [0,2,0,0,0,0|0,0,2]=4 6725 B13R0.147 CCCCCCCCCSC(C)OC 62a_100009879195_100000210670 [0,2,0,0,0,0|1,0,1]=4 6726 B13R0.147 CCCCCCCCCS[C@H](C)CO 62a_100016084084_100000210670 [0,2,0,0,0,0|0,0,2]=4 6727 B13R0.147 CCCCCCCCNCC(C)CO 34a_100000744482_100000210759 [0,2,0,0,0,0|0,0,2]=4 6728 B13R0.147 CCCCCCCCNCC(O)CC 2230a_100000229939_100011218378 [0,2,0,0,0,0|1,0,1]=4 6729 B13R0.147 CCCCCCCCNCC(O)CC 2230a_100011218483_100000210759 [0,2,0,0,0,0|1,0,1]=4 6730 B13R0.147 CCCCCCCCNCC(O)CC 34a_100000229939_100011218378 [0,2,0,0,0,0|1,0,1]=4 6731 B13R0.147 CCCCCCCCNCC(O)CO 2230a_100000229939_100011219619 [0,2,0,0,0,0|0,0,2]=4 6732 B13R0.147 CCCCCCCCNCC(O)CO 34a_100000229939_100011219619 [0,2,0,0,0,0|0,0,2]=4 6733 B13R0.147 CCCCCCCCNC[C@@H](C)CO 2230a_100000229939_100000059175 [0,2,0,0,0,0|0,0,2]=4 6734 B13R0.147 CCCCCCCCNC[C@@H](C)CO 34a_100000229939_100000059175 [0,2,0,0,0,0|0,0,2]=4 6735 B13R0.147 CCCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210759 [0,2,0,0,0,0|1,0,1]=4 6736 B13R0.147 CCCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210759 [0,2,0,0,0,0|0,0,2]=4 6737 B13R0.147 CCCCCCCCNC[C@@H](O)CF 2230a_100000229939_100015614560 [0,2,0,0,0,0|1,0,1]=4 6738 B13R0.147 CCCCCCCCNC[C@@H](O)CF 34a_100000229939_100015614560 [0,2,0,0,0,0|1,0,1]=4 6739 B13R0.147 CCCCCCCCNC[C@@H](O)CO 2230a_100000229939_100009815848 [0,2,0,0,0,0|0,0,2]=4 6740 B13R0.147 CCCCCCCCNC[C@@H](O)CO 34a_100000229939_100009815848 [0,2,0,0,0,0|0,0,2]=4 6741 B13R0.147 CCCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210759 [0,2,0,0,0,0|0,0,2]=4 6742 B13R0.147 CCCCCCCCOCC(=O)CC 1458a_100000759886_100000210202 [0,2,0,0,0,0|1,0,1]=4 6743 B13R0.147 CCCCCCCCOCC(=O)CC 34a_100000725409_100000210759 [0,2,0,0,0,0|1,0,1]=4 6744 B13R0.147 CCCCCCCCOCC(=O)CC 7a_100000210232_100000747405 [0,2,0,0,0,0|1,0,1]=4 6745 B13R0.147 CCCCCCCCOCC(=O)CF 1458a_100000759886_100015361967 [0,2,0,0,0,0|1,0,1]=4 6746 B13R0.147 CCCCCCCCOCC(C)OC 34a_100000690652_100000210759 [0,2,0,0,0,0|1,0,1]=4 6747 B13R0.147 CCCCCCCCOCC(O)CC 34a_100000210232_100011218378 [0,2,0,0,0,0|1,0,1]=4 6748 B13R0.147 CCCCCCCCOCC(O)CC 7a_100000210232_100011218378 [0,2,0,0,0,0|1,0,1]=4 6749 B13R0.147 CCCCCCCCOCC(O)CO 34a_100000210232_100011219619 [0,2,0,0,0,0|0,0,2]=4 6750 B13R0.147 CCCCCCCCOCC(O)CO 7a_100000210232_100011219619 [0,2,0,0,0,0|0,0,2]=4 6751 B13R0.147 CCCCCCCCOC[C@@H](C)CO 34a_100000210232_100000059175 [0,2,0,0,0,0|0,0,2]=4 6752 B13R0.147 CCCCCCCCOC[C@@H](C)CO 7a_100000210232_100000059175 [0,2,0,0,0,0|0,0,2]=4 6753 B13R0.147 CCCCCCCCOC[C@@H](O)CF 34a_100000210232_100015614560 [0,2,0,0,0,0|1,0,1]=4 6754 B13R0.147 CCCCCCCCOC[C@@H](O)CF 7a_100000210232_100015614560 [0,2,0,0,0,0|1,0,1]=4 6755 B13R0.147 CCCCCCCCOC[C@@H](O)CO 34a_100000210232_100009815848 [0,2,0,0,0,0|0,0,2]=4 6756 B13R0.147 CCCCCCCCOC[C@@H](O)CO 7a_100000210232_100009815848 [0,2,0,0,0,0|0,0,2]=4 6757 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000210759_100000747405 [0,2,0,0,0,0|1,0,1]=4 6758 B13R0.147 CCCCCCCCSCC(=O)CC 62a_100000747405_100000210317 [0,2,0,0,0,0|1,0,1]=4 6759 B13R0.147 CCCCCCCCSCC(O)CC 62a_100000210759_100011218378 [0,2,0,0,0,0|1,0,1]=4 6760 B13R0.147 CCCCCCCCSCC(O)CC 62a_100011218378_100000210317 [0,2,0,0,0,0|1,0,1]=4 6761 B13R0.147 CCCCCCCCSCC(O)CO 62a_100000210759_100011219619 [0,2,0,0,0,0|0,0,2]=4 6762 B13R0.147 CCCCCCCCSCC(O)CO 62a_100011219619_100000210317 [0,2,0,0,0,0|0,0,2]=4 6763 B13R0.147 CCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210317 [0,2,0,0,0,0|0,0,2]=4 6764 B13R0.147 CCCCCCCCSC[C@@H](C)CO 62a_100000210759_100000059175 [0,2,0,0,0,0|0,0,2]=4 6765 B13R0.147 CCCCCCCCSC[C@@H](O)CF 62a_100000210759_100015614560 [0,2,0,0,0,0|1,0,1]=4 6766 B13R0.147 CCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210317 [0,2,0,0,0,0|1,0,1]=4 6767 B13R0.147 CCCCCCCCSC[C@@H](O)CO 62a_100000210759_100009815848 [0,2,0,0,0,0|0,0,2]=4 6768 B13R0.147 CCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210317 [0,2,0,0,0,0|0,0,2]=4 6769 B13R0.147 CCCCCCCNCCC(C)CO 2230a_106354213184_100000210681 [0,2,0,0,0,0|0,0,2]=4 6770 B13R0.147 CCCCCCCNCCC(C)CO 34a_106354213184_100000210614 [0,2,0,0,0,0|0,0,2]=4 6771 B13R0.147 CCCCCCCOCCC(=NO)N 34a_100000749954_100000210614 [0,2,0,0,0,0|1,0,1]=4 6772 B13R0.147 CCCCCCNC/C=C/C(=O)OC 2230a_100000210581_100000742655 [0,2,0,0,0,0|1,0,1]=4 6773 B13R0.147 CCCCCCNCCNC(=O)CC 34a_100132302217_100000210314 [0,2,0,0,0,0|2,0,0]=4 6774 B13R0.147 CCCCCCOC/C=C/C(=O)OC 34a_100000210259_100000742655 [0,2,0,0,0,0|1,0,1]=4 6775 B13R0.147 CCCCCCOC/C=C/C(=O)OC 7a_100000210259_100000742655 [0,2,0,0,0,0|1,0,1]=4 6776 B13R0.147 CCCCCCOCCNC(=O)CC 34a_200000158885_100000210314 [0,2,0,0,0,0|2,0,0]=4 6777 B13R0.147 CCCCCCOCCNC(=O)CC 7a_200000158885_100000210314 [0,2,0,0,0,0|2,0,0]=4 6778 B13R0.147 CCCCCCOCCOC(=O)CC 7a_200000031056_100000210314 [0,2,0,0,0,0|2,0,0]=4 6779 B13R0.147 CCCCCCOCCOC(C)CO 34a_100000691444_100012180447 [0,2,0,0,0,0|1,0,1]=4 6780 B13R0.147 CCCCCCOCCOC(C)CO 7a_100000691444_100012180447 [0,2,0,0,0,0|1,0,1]=4 6781 B13R0.147 CCCCCCSC/C=C/C(=O)OC 62a_100000210314_100000742655 [0,2,0,0,0,0|1,0,1]=4 6782 B13R0.147 CCCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210757 [0,2,0,0,0,0|1,0,1]=4 6783 B13R0.147 CCCCNCCCCOC(C)CO 34a_200011216965_100012180447 [0,2,0,0,0,0|1,0,1]=4 6784 B13R0.147 CCCCOCCCCOC(C)CO 34a_200000760531_100012180447 [0,2,0,0,0,0|1,0,1]=4 6785 B13R0.147 CCCCOCCCCOC(C)CO 7a_200000760531_100012180447 [0,2,0,0,0,0|1,0,1]=4 6786 B13R0.147 CCCOCCOCCNC(=O)CO 240690a_200011904461_100000210174 [0,2,0,0,0,0|2,0,0]=4 6787 B13R0.147 CCN(C)CCCCCCCCCO 2230a_100000225621_100009813782 [0,2,0,0,0,0|0,0,2]=4 6788 B13R0.147 CCN(C)CCCCCCCCCO 269982a_100000225621_100009813782 [0,2,0,0,0,0|0,0,2]=4 6789 B13R0.147 CC[C@H](C)CNCCCCCCCO 2230a_100011996573_100009816398 [0,2,0,0,0,0|0,0,2]=4 6790 B13R0.147 CC[C@H](C)CNCCCCCCCO 34a_100011996573_100009816398 [0,2,0,0,0,0|0,0,2]=4 6791 B13R0.147 CC[C@H](C)COCCCCCCCO 7a_100009816381_100000760002 [0,2,0,0,0,0|0,0,2]=4 6792 B13R0.147 CC[C@H](C)CSCCCCCCCO 62a_100000760002_100009816398 [0,2,0,0,0,0|0,0,2]=4 6793 B13R0.147 CC[C@H](C)CSCCCCCCCO 62a_100009816398_100000760002 [0,2,0,0,0,0|0,0,2]=4 6794 B13R0.147 C[C@H](CO)NCCCCCCCCO 2230a_100000737577_100000033203 [0,2,0,0,0,0|1,0,1]=4 6795 B13R0.147 C[C@H](CO)SCCCCCCCCO 62a_100000033203_100016084084 [0,2,0,0,0,0|1,0,1]=4 6796 B13R0.147 C[C@H](CO)SCCCCCCCCO 62a_100016084084_100000033203 [0,2,0,0,0,0|1,0,1]=4 6797 B13R0.147 O=C(CF)CCCCCCCCCF 1458a_200009909015_100015361967 [0,2,0,0,0,0|1,0,1]=4 6798 B13R0.147 O=C(CO)CCCCCCCCCO 1458a_100000210174_100009813782 [0,2,0,0,0,0|0,0,1]=3 6799 B13R0.147 O=C(CO)NCCCCCCCCO 240690a_102515433106_100000210174 [0,2,0,0,0,0|1,0,0]=3 6800 B13R0.165 CC/C=C\CCC(=O)CCCCCC 1458a_100102632555_100015370543 [0,2,0,0,0,0|1,0,0]=3 6801 B13R0.165 CC/C=C\CCC(=O)CCCCCO 1458a_100102619762_100015370543 [0,2,0,0,0,0|1,0,1]=4 6802 B13R0.165 CC/C=C\CCC(=O)COCCCC 1458a_100000757543_100015370543 [0,2,0,0,0,0|1,0,1]=4 6803 B13R0.165 CC/C=C\CCC(=O)CSCCCC 1458a_100000191162_100015370543 [0,2,0,0,0,0|1,0,1]=4 6804 B13R0.165 CC/C=C\CCN(C)CCCCCC 2230a_106256046315_100015370543 [0,2,0,0,0,0|1,0,0]=3 6805 B13R0.165 CC/C=C\CCN(C)CCCCCC 269982a_106256046315_100015370543 [0,2,0,0,0,0|1,0,0]=3 6806 B13R0.165 CC/C=C\CCN(C)CCCCCO 2230a_100000722520_100015370543 [0,2,0,0,0,0|2,0,0]=4 6807 B13R0.165 CC/C=C\CCN(C)CCCCCO 269982a_100000722520_100015370543 [0,2,0,0,0,0|2,0,0]=4 6808 B13R0.165 CC/C=C\CNC(C)CCCCCC 2230a_100000210919_100103147603 [0,2,0,0,0,0|1,0,0]=3 6809 B13R0.165 CC/C=C\CNC(C)CCCCCC 34a_100000210919_100103147603 [0,2,0,0,0,0|1,0,0]=3 6810 B13R0.165 CC/C=C\COC(C)CCCCCC 34a_100000210265_100103147603 [0,2,0,0,0,0|1,0,0]=3 6811 B13R0.165 CC/C=C\COC(C)CCCCCC 34a_100016268518_100011215978 [0,2,0,0,0,0|1,0,0]=3 6812 B13R0.165 CC/C=C\COC(C)CCCCCC 7a_100000210265_100103147603 [0,2,0,0,0,0|1,0,0]=3 6813 B13R0.165 CC/C=C\COC(C)COCCCC 34a_100011217071_100103147603 [0,2,0,0,0,0|2,0,0]=4 6814 B13R0.165 CC/C=C\COC(C)COCCCC 7a_100011217071_100103147603 [0,2,0,0,0,0|2,0,0]=4 6815 B13R0.165 CCC/C=C/CC(=O)CCCCCC 1458a_200016266809_100000210757 [0,2,0,0,0,0|1,0,1]=4 6816 B13R0.165 CCCCCCC(=O)CCCCCO 1458a_100102619762_100000210757 [0,2,0,0,0,0|0,0,2]=4 6817 B13R0.165 CCCCCCC(=O)CCCCCO 1458a_100102632555_100000746330 [0,2,0,0,0,0|0,0,2]=4 6818 B13R0.165 CCCCCCC(=O)CCOCCO 1458a_100011229844_100000210757 [0,2,0,0,0,0|1,0,1]=4 6819 B13R0.165 CCCCCCC(=O)CCOCCO 1458a_100102632555_100011215305 [0,2,0,0,0,0|1,0,1]=4 6820 B13R0.165 CCCCCCC(C)CCOCCO 34a_200011024964_100000211926 [0,2,0,0,0,0|0,0,2]=4 6821 B13R0.165 CCCCCCC(C)CCOCCO 7a_200011024964_100000211926 [0,2,0,0,0,0|0,0,2]=4 6822 B13R0.165 CCCCCCC(C)NCC#CCO 2230a_100000210919_200000047223 [0,2,0,0,0,0|0,0,2]=4 6823 B13R0.165 CCCCCCC(C)NCC#CCO 34a_100000210919_200000047223 [0,2,0,0,0,0|0,0,2]=4 6824 B13R0.165 CCCCCCC(C)NCCCCO 2230a_100000210919_100000210776 [0,2,0,0,0,0|0,0,2]=4 6825 B13R0.165 CCCCCCC(C)NCCCCO 2230a_100000750430_100011215978 [0,2,0,0,0,0|0,0,2]=4 6826 B13R0.165 CCCCCCC(C)NCCCCO 270004a_100000750430_100000210826 [0,2,0,0,0,0|0,0,2]=4 6827 B13R0.165 CCCCCCC(C)NCCCCO 34a_100000210919_100011216708 [0,2,0,0,0,0|0,0,2]=4 6828 B13R0.165 CCCCCCC(C)NCCCCO 34a_100000750430_100011215978 [0,2,0,0,0,0|0,0,2]=4 6829 B13R0.165 CCCCCCC(C)OCC#CCO 34a_100000210265_200000047223 [0,2,0,0,0,0|0,0,2]=4 6830 B13R0.165 CCCCCCC(C)OCC#CCO 7a_100000210265_200000047223 [0,2,0,0,0,0|0,0,2]=4 6831 B13R0.165 CCCCCCC(C)OCCCCO 34a_100000210265_100011216708 [0,2,0,0,0,0|0,0,2]=4 6832 B13R0.165 CCCCCCC(C)OCCCCO 7a_100000210265_100000210776 [0,2,0,0,0,0|0,0,2]=4 6833 B13R0.165 CCCCCCC(C)SCC#CCO 62a_100011215978_200000047223 [0,2,0,0,0,0|0,0,2]=4 6834 B13R0.165 CCCCCCC(C)SCC#CCO 62a_200000047223_100011215978 [0,2,0,0,0,0|0,0,2]=4 6835 B13R0.165 CCCCCCC(C)SCCCCO 62a_100000210776_100011215978 [0,2,0,0,0,0|0,0,2]=4 6836 B13R0.165 CCCCCCC(C)SCCCCO 62a_100011215978_100000210776 [0,2,0,0,0,0|0,0,2]=4 6837 B13R0.165 CCCCCCN(C)CCCCCO 2230a_100000722520_100000210314 [0,2,0,0,0,0|0,0,2]=4 6838 B13R0.165 CCCCCCN(C)CCCCCO 2230a_106256046315_100000746330 [0,2,0,0,0,0|0,0,2]=4 6839 B13R0.165 CCCCCCN(C)CCCCCO 269982a_100000722520_100000210757 [0,2,0,0,0,0|0,0,2]=4 6840 B13R0.165 CCCCCCN(C)CCCCCO 269982a_106256046315_100000746330 [0,2,0,0,0,0|0,0,2]=4 6841 B13R0.165 CCCCCCN(C)CCOCCO 2230a_100000228057_100000210314 [0,2,0,0,0,0|1,0,1]=4 6842 B13R0.165 CCCCCCN(C)CCOCCO 2230a_106256046315_100011215305 [0,2,0,0,0,0|1,0,1]=4 6843 B13R0.165 CCCCCCN(C)CCOCCO 269982a_100000228057_100000210757 [0,2,0,0,0,0|1,0,1]=4 6844 B13R0.165 CCCCCCN(C)CCOCCO 269982a_106256046315_100011215305 [0,2,0,0,0,0|1,0,1]=4 6845 B13R0.336 C#CCCCCCCCCOCCO 34a_100000065265_100000211926 [0,2,0,0,0,0|1,0,1]=4 6846 B13R0.336 C#CCCCCCCCCOCCO 7a_100000065265_100000211926 [0,2,0,0,0,0|1,0,1]=4 6847 B13R0.336 C#CCCCCCCOC/C=C\CC 34a_100011217361_100103147603 [0,2,0,0,0,0|1,0,1]=4 6848 B13R0.336 C#CCCCCCCOC/C=C\CC 34a_100016268518_100012276617 [0,2,0,0,0,0|1,0,1]=4 6849 B13R0.336 C#CCCCCCCOC/C=C\CC 7a_100011217361_100103147603 [0,2,0,0,0,0|1,0,1]=4 6850 B13R0.336 C#CCCCCCCSC/C=C\CC 62a_100012276617_100103147603 [0,2,0,0,0,0|1,0,1]=4 6851 B13R0.336 C#CCCCCCCSC/C=C\CC 62a_100103147603_100012276617 [0,2,0,0,0,0|1,0,1]=4 6852 B13R0.336 C#CCCCCCOCC/C=C\CC 34a_100000766912_100015370543 [0,2,0,0,0,0|1,0,1]=4 6853 B13R0.336 C#CCCCCCOCC/C=C\CC 34a_100016288707_100012094781 [0,2,0,0,0,0|1,0,1]=4 6854 B13R0.336 C#CCCCCCOCC/C=C\CC 7a_100000766912_100015370543 [0,2,0,0,0,0|1,0,1]=4 6855 B13R0.336 C#CCCCCCOCC/C=C\CC 7a_100016288707_100012094781 [0,2,0,0,0,0|1,0,1]=4 6856 B13R0.336 C#CCCCCCSCC/C=C\CC 62a_100012094781_100015370543 [0,2,0,0,0,0|1,0,1]=4 6857 B13R0.336 C#CCCCCCSCC/C=C\CC 62a_100015370543_100012094781 [0,2,0,0,0,0|1,0,1]=4 6858 B13R0.336 C#CCCCCOCCC/C=C/CC 34a_100016287902_100010269958 [0,2,0,0,0,0|1,0,1]=4 6859 B13R0.336 C#CCCCCOCCC/C=C/CC 7a_100016287902_100010269958 [0,2,0,0,0,0|1,0,1]=4 6860 B13R0.336 C#CCCCOCCCC/C=C\CC 34a_100016287862_100000695029 [0,2,0,0,0,0|1,0,1]=4 6861 B13R0.336 C#CCCCOCCCC/C=C\CC 7a_100016287862_100011215417 [0,2,0,0,0,0|1,0,1]=4 6862 B13R0.336 C#CCCOCCCCC/C=C\CC 34a_100016268722_100000688953 [0,2,0,0,0,0|1,0,1]=4 6863 B13R0.336 C#CCCOCCCCC/C=C\CC 7a_100016268722_100000688953 [0,2,0,0,0,0|1,0,1]=4 6864 B13R0.336 C/C=C/C=C/CCCCCCCOC 34a_100020681108_200000210301 [0,2,0,0,0,0|1,0,1]=4 6865 B13R0.336 C/C=C/C=C/CCCCCCCOC 7a_100020681108_200000210301 [0,2,0,0,0,0|1,0,1]=4 6866 B13R0.336 C/C=C/C=C/CCCCCCCO[13CH3] 34a_100020681108_200025704644 [0,2,0,0,0,0|1,0,1]=4 6867 B13R0.336 C/C=C/C=C/CCCCCCCO[13CH3] 7a_100020681108_200025704644 [0,2,0,0,0,0|1,0,1]=4 6868 B13R0.336 C/C=C/C=C/COCCCCCCC 34a_100016283227_100000210614 [0,2,0,0,0,0|1,0,1]=4 6869 B13R0.336 C/C=C/COCCCCC/C=C\CC 34a_100016268722_100102629194 [0,2,0,0,0,0|1,0,1]=4 6870 B13R0.336 C/C=C/COCCCCC/C=C\CC 7a_100016268722_100102629194 [0,2,0,0,0,0|1,0,1]=4 6871 B13R0.336 C=CCCCCCCCCNCCO 2230a_100016997473_100011933949 [0,2,0,0,0,0|1,0,1]=4 6872 B13R0.336 C=CCCCCCCCCNCCO 34a_100016990907_100011933949 [0,2,0,0,0,0|1,0,1]=4 6873 B13R0.336 C=CCCCCCCCCOCCO 34a_100011215194_100000211926 [0,2,0,0,0,0|1,0,1]=4 6874 B13R0.336 C=CCCCCCCCCOCCO 7a_100011215194_100000211926 [0,2,0,0,0,0|1,0,1]=4 6875 B13R0.336 C=CCCCCCCCCSCCO 62a_100000211926_100011933949 [0,2,0,0,0,0|1,0,1]=4 6876 B13R0.336 C=CCCCCCCCCSCCO 62a_100011933949_100000211926 [0,2,0,0,0,0|1,0,1]=4 6877 B13R0.336 C=CCCCCCCOC/C=C\CC 34a_100016268518_100011215473 [0,2,0,0,0,0|1,0,1]=4 6878 B13R0.336 C=CCCCCCCOC/C=C\CC 34a_200011216477_100103147603 [0,2,0,0,0,0|1,0,1]=4 6879 B13R0.336 C=CCCCCCCOC/C=C\CC 7a_200011216477_100103147603 [0,2,0,0,0,0|1,0,1]=4 6880 B13R0.336 C=CCCCCCCSC/C=C\CC 62a_100011215473_100103147603 [0,2,0,0,0,0|1,0,1]=4 6881 B13R0.336 C=CCCCCCCSC/C=C\CC 62a_100103147603_100011215473 [0,2,0,0,0,0|1,0,1]=4 6882 B13R0.336 C=CCCCCCOCC/C=C\CC 34a_100011216702_100015370543 [0,2,0,0,0,0|1,0,1]=4 6883 B13R0.336 C=CCCCCCOCC/C=C\CC 34a_100016288707_100000700193 [0,2,0,0,0,0|1,0,1]=4 6884 B13R0.336 C=CCCCCCOCC/C=C\CC 7a_100011216702_100015370543 [0,2,0,0,0,0|1,0,1]=4 6885 B13R0.336 C=CCCCCCOCC/C=C\CC 7a_100016288707_100000700193 [0,2,0,0,0,0|1,0,1]=4 6886 B13R0.336 C=CCCCCCSCC/C=C\CC 62a_100000700193_100015370543 [0,2,0,0,0,0|1,0,1]=4 6887 B13R0.336 C=CCCCCCSCC/C=C\CC 62a_100015370543_100000700193 [0,2,0,0,0,0|1,0,1]=4 6888 B13R0.336 C=CCCCCOCCC/C=C/CC 34a_100016287902_100011215482 [0,2,0,0,0,0|1,0,1]=4 6889 B13R0.336 C=CCCCCOCCC/C=C/CC 7a_100016287902_100011215482 [0,2,0,0,0,0|1,0,1]=4 6890 B13R0.336 C=CCCCOCCCC/C=C\CC 34a_100016287862_100000757094 [0,2,0,0,0,0|1,0,1]=4 6891 B13R0.336 C=CCCCOCCCC/C=C\CC 7a_100016287862_100000757094 [0,2,0,0,0,0|1,0,1]=4 6892 B13R0.336 C=CCCNCCCCC/C=C\CC 269862a_100015191253_100016288537 [0,2,0,0,0,0|1,0,1]=4 6893 B13R0.336 C=CCCOCCCCC/C=C\CC 34a_100016268722_100000754431 [0,2,0,0,0,0|1,0,1]=4 6894 B13R0.336 C=CCCOCCCCC/C=C\CC 7a_100016268722_100000754431 [0,2,0,0,0,0|1,0,1]=4 6895 B13R0.336 C=COCCNCCCCCCCC 2230a_100000229939_100000039644 [0,2,0,0,0,0|1,0,1]=4 6896 B13R0.336 C=COCCNCCCCCCCC 34a_100000229939_100000039644 [0,2,0,0,0,0|1,0,1]=4 6897 B13R0.336 C=COCCOCCCCCCCC 34a_100000033082_100000210759 [0,2,0,0,0,0|1,0,1]=4 6898 B13R0.336 C=COCCOCCCCCCCC 34a_100000210232_100000039644 [0,2,0,0,0,0|1,0,1]=4 6899 B13R0.336 C=COCCOCCCCCCCC 7a_100000210232_100000039644 [0,2,0,0,0,0|1,0,1]=4 6900 B13R0.336 C=COCCSCCCCCCCC 62a_100000039644_100000210317 [0,2,0,0,0,0|1,0,1]=4 6901 B13R0.336 C=COCCSCCCCCCCC 62a_100000210759_100000039644 [0,2,0,0,0,0|1,0,1]=4 6902 B13R0.336 CC#CCOCCCCC/C=C\CC 34a_100016268722_100000748600 [0,2,0,0,0,0|1,0,1]=4 6903 B13R0.336 CC#CCOCCCCC/C=C\CC 7a_100016268722_100000748600 [0,2,0,0,0,0|1,0,1]=4 6904 B13R0.336 CC/C=C/C/C=C/CCOCCCC 34a_200016273837_100000210210 [0,2,0,0,0,0|1,0,1]=4 6905 B13R0.336 CC/C=C/C/C=C/CCOCCCC 7a_200016273837_100000210211 [0,2,0,0,0,0|1,0,1]=4 6906 B13R0.336 CC/C=C/CC/C=C/COCCCC 34a_100016264143_100000210210 [0,2,0,0,0,0|1,0,1]=4 6907 B13R0.336 CC/C=C/CC/C=C/COCCCC 7a_100016264143_100000210211 [0,2,0,0,0,0|1,0,1]=4 6908 B13R0.336 CC/C=C/CCCOCCCCC#N 7a_100016287902_100000211819 [0,2,0,0,0,0|1,0,1]=4 6909 B13R0.336 CC/C=C/CCCOCCCCC=O 7a_100016287902_100000139335 [0,2,0,0,0,0|1,0,1]=4 6910 B13R0.336 CC/C=C/CCCOCCCCCC 34a_100016287902_100000210314 [0,2,0,0,0,0|1,0,0]=3 6911 B13R0.336 CC/C=C/CCCOCCCCCC 7a_100016287902_100000210314 [0,2,0,0,0,0|1,0,0]=3 6912 B13R0.336 CC/C=C/CCCOCCCCCF 34a_100016287902_100000729378 [0,2,0,0,0,0|1,0,0]=3 6913 B13R0.336 CC/C=C/CCCOCCCCCF 7a_100016287902_100000729378 [0,2,0,0,0,0|1,0,0]=3 6914 B13R0.336 CC/C=C/CCCOCCCCCO 34a_100016287902_100000746330 [0,2,0,0,0,0|1,0,0]=3 6915 B13R0.336 CC/C=C/CCCOCCCCCO 7a_100016287902_100000746330 [0,2,0,0,0,0|1,0,0]=3 6916 B13R0.336 CC/C=C/CCCOCCCCOC 34a_100016287902_100000755781 [0,2,0,0,0,0|1,0,0]=3 6917 B13R0.336 CC/C=C/CCCOCCCCOC 7a_100016287902_100000730899 [0,2,0,0,0,0|1,0,0]=3 6918 B13R0.336 CC/C=C/CCCOCCCOCC 34a_100016287902_100012232248 [0,2,0,0,0,0|1,0,0]=3 6919 B13R0.336 CC/C=C/CCCOCCCOCC 7a_100016287902_100012232248 [0,2,0,0,0,0|1,0,0]=3 6920 B13R0.336 CC/C=C/CCCOCCOCCC 34a_100016287902_100011215938 [0,2,0,0,0,0|1,0,0]=3 6921 B13R0.336 CC/C=C/CCCOCCOCCC 7a_100016287902_100011215938 [0,2,0,0,0,0|1,0,0]=3 6922 B13R0.336 CC/C=C/CCCOCCOCCO 34a_100016287902_100000692535 [0,2,0,0,0,0|2,0,0]=4 6923 B13R0.336 CC/C=C/CCCOCCOCCO 7a_100016287902_100011215305 [0,2,0,0,0,0|2,0,0]=4 6924 B13R0.336 CC/C=C/CCCOCOCCCC 34a_100016287902_100011995733 [0,2,0,0,0,0|1,0,0]=3 6925 B13R0.336 CC/C=C\CCC=NNCCCCC 4a_100000694160_100016279218 [0,2,0,0,0,0|1,0,1]=4 6926 B13R0.336 CC/C=C\CCCCC=NNCCC 4a_100000740057_100016288537 [0,2,0,0,0,0|1,0,1]=4 6927 B13R0.336 CC/C=C\CCCCCCCNCC 269862a_100015525214_200025770492 [0,2,0,0,0,0|1,0,0]=3 6928 B13R0.336 CC/C=C\CCCCCNCCCC 269862a_100000102301_100016288537 [0,2,0,0,0,0|1,0,0]=3 6929 B13R0.336 CC/C=C\CCCCCNCCCF 269862a_100015189416_100016288537 [0,2,0,0,0,0|1,0,0]=3 6930 B13R0.336 CC/C=C\CCCCCNCCCO 269862a_100000182051_100016288537 [0,2,0,0,0,0|1,0,0]=3 6931 B13R0.336 CC/C=C\CCCCCNCCOC 269862a_100000209980_100016288537 [0,2,0,0,0,0|1,0,0]=3 6932 B13R0.336 CC/C=C\CCCCCNCCSC 269862a_100020590264_100016288537 [0,2,0,0,0,0|1,0,0]=3 6933 B13R0.336 CC/C=C\CCCCCOCCC#N 7a_100016268722_100000184422 [0,2,0,0,0,0|1,0,1]=4 6934 B13R0.336 CC/C=C\CCCCCOCCCC 34a_100016268722_100000210210 [0,2,0,0,0,0|1,0,0]=3 6935 B13R0.336 CC/C=C\CCCCCOCCCC 7a_100016268722_100000210211 [0,2,0,0,0,0|1,0,0]=3 6936 B13R0.336 CC/C=C\CCCCCOCCCF 34a_100016268722_100011934791 [0,2,0,0,0,0|1,0,0]=3 6937 B13R0.336 CC/C=C\CCCCCOCCCF 7a_100016268722_100011934791 [0,2,0,0,0,0|1,0,0]=3 6938 B13R0.336 CC/C=C\CCCCCOCCCO 34a_100016268722_100000230001 [0,2,0,0,0,0|1,0,0]=3 6939 B13R0.336 CC/C=C\CCCCCOCCCO 7a_100016268722_100011215043 [0,2,0,0,0,0|1,0,0]=3 6940 B13R0.336 CC/C=C\CCCCCOCCOC 34a_100016268722_100011201679 [0,2,0,0,0,0|1,0,0]=3 6941 B13R0.336 CC/C=C\CCCCCOCCOC 7a_100016268722_100000233755 [0,2,0,0,0,0|1,0,0]=3 6942 B13R0.336 CC/C=C\CCCCCOCCSC 34a_100016268722_100000212216 [0,2,0,0,0,0|1,0,0]=3 6943 B13R0.336 CC/C=C\CCCCCOCCSC 7a_100016268722_100000212216 [0,2,0,0,0,0|1,0,0]=3 6944 B13R0.336 CC/C=C\CCCCOC/C=C\CC 34a_100016287862_100103147603 [0,2,0,0,0,0|1,0,1]=4 6945 B13R0.336 CC/C=C\CCCCOC/C=C\CC 7a_100016287862_100103147603 [0,2,0,0,0,0|1,0,1]=4 6946 B13R0.336 CC/C=C\CCCCOCCCC#N 7a_100016287862_100000687738 [0,2,0,0,0,0|1,0,1]=4 6947 B13R0.336 CC/C=C\CCCCOCCCC=O 7a_100016287862_200011292268 [0,2,0,0,0,0|1,0,1]=4 6948 B13R0.336 CC/C=C\CCCCOCCCCC 34a_100016287862_100000718602 [0,2,0,0,0,0|1,0,0]=3 6949 B13R0.336 CC/C=C\CCCCOCCCCC 7a_100016287862_100000210326 [0,2,0,0,0,0|1,0,0]=3 6950 B13R0.336 CC/C=C\CCCCOCCCCF 34a_100016287862_100000729493 [0,2,0,0,0,0|1,0,0]=3 6951 B13R0.336 CC/C=C\CCCCOCCCCF 7a_100016287862_100000729493 [0,2,0,0,0,0|1,0,0]=3 6952 B13R0.336 CC/C=C\CCCCOCCCCO 34a_100016287862_100011216708 [0,2,0,0,0,0|1,0,0]=3 6953 B13R0.336 CC/C=C\CCCCOCCCCO 7a_100016287862_100000210776 [0,2,0,0,0,0|1,0,0]=3 6954 B13R0.336 CC/C=C\CCCCOCCCOC 34a_100016287862_100000740836 [0,2,0,0,0,0|1,0,0]=3 6955 B13R0.336 CC/C=C\CCCCOCCCOC 7a_100016287862_100000740836 [0,2,0,0,0,0|1,0,0]=3 6956 B13R0.336 CC/C=C\CCCCOCCOCC 34a_100016287862_100000210147 [0,2,0,0,0,0|1,0,0]=3 6957 B13R0.336 CC/C=C\CCCCOCCOCC 7a_100016287862_100011215890 [0,2,0,0,0,0|1,0,0]=3 6958 B13R0.336 CC/C=C\CCCCOCCSCC 34a_100016287862_100000757381 [0,2,0,0,0,0|1,0,0]=3 6959 B13R0.336 CC/C=C\CCCCOCCSCC 7a_100016287862_100000757381 [0,2,0,0,0,0|1,0,0]=3 6960 B13R0.336 CC/C=C\CCNCCCCCCC 2230a_100000229938_100015370543 [0,2,0,0,0,0|1,0,0]=3 6961 B13R0.336 CC/C=C\CCNCCCCCCO 2230a_100000686447_100015370543 [0,2,0,0,0,0|1,0,0]=3 6962 B13R0.336 CC/C=C\CCNCCCCCCO 34a_100000686447_100015370543 [0,2,0,0,0,0|1,0,0]=3 6963 B13R0.336 CC/C=C\CCNCCCCCOC 2230a_100000747528_100015370543 [0,2,0,0,0,0|1,0,0]=3 6964 B13R0.336 CC/C=C\CCNCCCCCOC 34a_100000747528_100015370543 [0,2,0,0,0,0|1,0,0]=3 6965 B13R0.336 CC/C=C\CCNCCCOCCC 2230a_100011217757_100015370543 [0,2,0,0,0,0|1,0,0]=3 6966 B13R0.336 CC/C=C\CCNCCCOCCC 34a_100011217757_100015370543 [0,2,0,0,0,0|1,0,0]=3 6967 B13R0.336 CC/C=C\CCNCCOCCOC 2230a_100000745349_100015370543 [0,2,0,0,0,0|2,0,0]=4 6968 B13R0.336 CC/C=C\CCNCCOCCOC 34a_100000745349_100015370543 [0,2,0,0,0,0|2,0,0]=4 6969 B13R0.336 CC/C=C\CCNCCSCCCC 2230a_100025743550_100015370543 [0,2,0,0,0,0|1,0,0]=3 6970 B13R0.336 CC/C=C\CCOC/C=C/CCCC 34a_200016272032_100015370543 [0,2,0,0,0,0|1,0,1]=4 6971 B13R0.336 CC/C=C\CCOC/C=C/CCCC 7a_200016272032_100015370543 [0,2,0,0,0,0|1,0,1]=4 6972 B13R0.336 CC/C=C\CCOCC#CCCCC 34a_200000034558_100015370543 [0,2,0,0,0,0|1,0,1]=4 6973 B13R0.336 CC/C=C\CCOCC#CCCCC 7a_200000034558_100015370543 [0,2,0,0,0,0|1,0,1]=4 6974 B13R0.336 CC/C=C\CCOCCC#CCCC 34a_100000042726_100015370543 [0,2,0,0,0,0|1,0,1]=4 6975 B13R0.336 CC/C=C\CCOCCC#CCCC 7a_100000042726_100015370543 [0,2,0,0,0,0|1,0,1]=4 6976 B13R0.336 CC/C=C\CCOCCC/C=C/CC 34a_100016287902_100015370543 [0,2,0,0,0,0|1,0,1]=4 6977 B13R0.336 CC/C=C\CCOCCC/C=C/CC 7a_100016287902_100015370543 [0,2,0,0,0,0|1,0,1]=4 6978 B13R0.336 CC/C=C\CCOCCCCCC#N 7a_100016288707_100009813376 [0,2,0,0,0,0|1,0,1]=4 6979 B13R0.336 CC/C=C\CCOCCCCCC=O 7a_100016288707_100000139337 [0,2,0,0,0,0|1,0,1]=4 6980 B13R0.336 CC/C=C\CCOCCCCCCBr 34a_100011215345_100015370543 [0,2,0,0,0,0|1,0,0]=3 6981 B13R0.336 CC/C=C\CCOCCCCCCBr 7a_100011215345_100015370543 [0,2,0,0,0,0|1,0,0]=3 6982 B13R0.336 CC/C=C\CCOCCCCCCC 34a_100000210272_100015370543 [0,2,0,0,0,0|1,0,0]=3 6983 B13R0.336 CC/C=C\CCOCCCCCCC 34a_100016288707_100000210614 [0,2,0,0,0,0|1,0,0]=3 6984 B13R0.336 CC/C=C\CCOCCCCCCC 7a_100000210272_100015370543 [0,2,0,0,0,0|1,0,0]=3 6985 B13R0.336 CC/C=C\CCOCCCCCCC 7a_100016288707_100000210614 [0,2,0,0,0,0|1,0,0]=3 6986 B13R0.336 CC/C=C\CCOCCCCCCCl 34a_100000766143_100015370543 [0,2,0,0,0,0|1,0,0]=3 6987 B13R0.336 CC/C=C\CCOCCCCCCCl 7a_100000766143_100015370543 [0,2,0,0,0,0|1,0,0]=3 6988 B13R0.336 CC/C=C\CCOCCCCCCF 34a_100000732779_100015370543 [0,2,0,0,0,0|1,0,0]=3 6989 B13R0.336 CC/C=C\CCOCCCCCCF 34a_100016288707_100015922095 [0,2,0,0,0,0|1,0,0]=3 6990 B13R0.336 CC/C=C\CCOCCCCCCF 7a_100000732779_100015370543 [0,2,0,0,0,0|1,0,0]=3 6991 B13R0.336 CC/C=C\CCOCCCCCCF 7a_100016288707_100015922095 [0,2,0,0,0,0|1,0,0]=3 6992 B13R0.336 CC/C=C\CCOCCCCCCN 34a_100000686447_100015370543 [0,2,0,0,0,0|1,0,0]=3 6993 B13R0.336 CC/C=C\CCOCCCCCCO 34a_100016288707_100000766143 [0,2,0,0,0,0|1,0,0]=3 6994 B13R0.336 CC/C=C\CCOCCCCCCO 7a_100016288707_100000766143 [0,2,0,0,0,0|1,0,0]=3 6995 B13R0.336 CC/C=C\CCOCCCCCNC 34a_100000722520_100015370543 [0,2,0,0,0,0|1,0,0]=3 6996 B13R0.336 CC/C=C\CCOCCOCCCC 34a_100000210238_100015370543 [0,2,0,0,0,0|1,0,0]=3 6997 B13R0.336 CC/C=C\CCOCCOCCCC 34a_100016288707_100000743108 [0,2,0,0,0,0|1,0,0]=3 6998 B13R0.336 CC/C=C\CCOCCOCCCC 7a_100000210238_100015370543 [0,2,0,0,0,0|1,0,0]=3 6999 B13R0.336 CC/C=C\CCOCCOCCCC 7a_100016288707_100000743108 [0,2,0,0,0,0|1,0,0]=3 7000 B13R0.336 CC/C=C\CCOCCOCCNC 34a_100000228057_100015370543 [0,2,0,0,0,0|2,0,0]=4 7001 B13R0.336 CC/C=C\CCOCCOCCOC 34a_100011215163_100015370543 [0,2,0,0,0,0|2,0,0]=4 7002 B13R0.336 CC/C=C\CCOCCOCCOC 34a_100016288707_100000695917 [0,2,0,0,0,0|2,0,0]=4 7003 B13R0.336 CC/C=C\CCOCCOCCOC 7a_100011215163_100015370543 [0,2,0,0,0,0|2,0,0]=4 7004 B13R0.336 CC/C=C\CCOCCOCCOC 7a_100016288707_100000695917 [0,2,0,0,0,0|2,0,0]=4 7005 B13R0.336 CC/C=C\CCOCCSCCCC 34a_200000230436_100015370543 [0,2,0,0,0,0|1,0,0]=3 7006 B13R0.336 CC/C=C\CCOCCSCCCC 7a_200000230436_100015370543 [0,2,0,0,0,0|1,0,0]=3 7007 B13R0.336 CC/C=C\CCSCCCCCC#N 62a_100009813376_100015370543 [0,2,0,0,0,0|1,0,1]=4 7008 B13R0.336 CC/C=C\CCSCCCCCC#N 62a_100015370543_100009813376 [0,2,0,0,0,0|1,0,1]=4 7009 B13R0.336 CC/C=C\CCSCCCCCC=O 62a_100000139337_100015370543 [0,2,0,0,0,0|1,0,1]=4 7010 B13R0.336 CC/C=C\CCSCCCCCC=O 62a_100015370543_100000139337 [0,2,0,0,0,0|1,0,1]=4 7011 B13R0.336 CC/C=C\CCSCCCCCCF 62a_100015370543_100015922095 [0,2,0,0,0,0|1,0,0]=3 7012 B13R0.336 CC/C=C\CCSCCCCCCF 62a_100015922095_100015370543 [0,2,0,0,0,0|1,0,0]=3 7013 B13R0.336 CC/C=C\CCSCCCCCCO 62a_100000766143_100015370543 [0,2,0,0,0,0|1,0,0]=3 7014 B13R0.336 CC/C=C\CCSCCCCCCO 62a_100015370543_100000766143 [0,2,0,0,0,0|1,0,0]=3 7015 B13R0.336 CC/C=C\CCSCCOCCCC 62a_100000743108_100015370543 [0,2,0,0,0,0|1,0,0]=3 7016 B13R0.336 CC/C=C\CCSCCOCCCC 62a_100015370543_100000743108 [0,2,0,0,0,0|1,0,0]=3 7017 B13R0.336 CC/C=C\CCSCCOCCOC 62a_100000695917_100015370543 [0,2,0,0,0,0|2,0,0]=4 7018 B13R0.336 CC/C=C\CCSCCOCCOC 62a_100015370543_100000695917 [0,2,0,0,0,0|2,0,0]=4 7019 B13R0.336 CC/C=C\CNCCCCCCCC 2230a_100000229939_100103147603 [0,2,0,0,0,0|1,0,0]=3 7020 B13R0.336 CC/C=C\CNCCCCCCCC 34a_100000229939_100103147603 [0,2,0,0,0,0|1,0,0]=3 7021 B13R0.336 CC/C=C\CNCCCCCCCO 2230a_100011996573_100103147603 [0,2,0,0,0,0|1,0,0]=3 7022 B13R0.336 CC/C=C\CNCCCCCCCO 34a_100011996573_100103147603 [0,2,0,0,0,0|1,0,0]=3 7023 B13R0.336 CC/C=C\CNCCCOCCCC 2230a_200000211371_100103147603 [0,2,0,0,0,0|1,0,0]=3 7024 B13R0.336 CC/C=C\CNCCCOCCCC 34a_200000211371_100103147603 [0,2,0,0,0,0|1,0,0]=3 7025 B13R0.336 CC/C=C\CNCCCOCCCO 2230a_100011310245_100103147603 [0,2,0,0,0,0|2,0,0]=4 7026 B13R0.336 CC/C=C\CNCCCOCCCO 34a_100011310245_100103147603 [0,2,0,0,0,0|2,0,0]=4 7027 B13R0.336 CC/C=C\CNCCCOCCOC 2230a_100000206027_100103147603 [0,2,0,0,0,0|2,0,0]=4 7028 B13R0.336 CC/C=C\CNCCCOCCOC 34a_100000206027_100103147603 [0,2,0,0,0,0|2,0,0]=4 7029 B13R0.336 CC/C=C\CNCCOCCOCC 2230a_100102712874_100103147603 [0,2,0,0,0,0|2,0,0]=4 7030 B13R0.336 CC/C=C\CNCCOCCOCC 34a_100102712874_100103147603 [0,2,0,0,0,0|2,0,0]=4 7031 B13R0.336 CC/C=C\COC/C=C/CCCCC 34a_100016258190_100103147603 [0,2,0,0,0,0|1,0,1]=4 7032 B13R0.336 CC/C=C\COC/C=C/CCCCC 7a_100016258190_100103147603 [0,2,0,0,0,0|1,0,1]=4 7033 B13R0.336 CC/C=C\COCC#CCCCCC 34a_100016268518_100009816472 [0,2,0,0,0,0|1,0,1]=4 7034 B13R0.336 CC/C=C\COCC#CCCCCC 34a_200000033628_100103147603 [0,2,0,0,0,0|1,0,1]=4 7035 B13R0.336 CC/C=C\COCC#CCCCCC 7a_200000033628_100103147603 [0,2,0,0,0,0|1,0,1]=4 7036 B13R0.336 CC/C=C\COCC/C=C\CCCC 34a_200016286491_100103147603 [0,2,0,0,0,0|1,0,1]=4 7037 B13R0.336 CC/C=C\COCC/C=C\CCCC 7a_200016286491_100103147603 [0,2,0,0,0,0|1,0,1]=4 7038 B13R0.336 CC/C=C\COCCC#CCCCC 34a_100000037610_100103147603 [0,2,0,0,0,0|1,0,1]=4 7039 B13R0.336 CC/C=C\COCCC#CCCCC 7a_100000037610_100103147603 [0,2,0,0,0,0|1,0,1]=4 7040 B13R0.336 CC/C=C\COCCCCCCCBr 34a_100000760002_100103147603 [0,2,0,0,0,0|1,0,0]=3 7041 B13R0.336 CC/C=C\COCCCCCCCBr 7a_100000760002_100103147603 [0,2,0,0,0,0|1,0,0]=3 7042 B13R0.336 CC/C=C\COCCCCCCCC 34a_100000210232_100103147603 [0,2,0,0,0,0|1,0,0]=3 7043 B13R0.336 CC/C=C\COCCCCCCCC 34a_100016268518_100000210759 [0,2,0,0,0,0|1,0,0]=3 7044 B13R0.336 CC/C=C\COCCCCCCCC 7a_100000210232_100103147603 [0,2,0,0,0,0|1,0,0]=3 7045 B13R0.336 CC/C=C\COCCCCCCCN 34a_100011996573_100103147603 [0,2,0,0,0,0|1,0,0]=3 7046 B13R0.336 CC/C=C\COCCCCCCCO 34a_100016268518_100000760002 [0,2,0,0,0,0|1,0,0]=3 7047 B13R0.336 CC/C=C\COCCCCCCOC 34a_100016268518_100011998445 [0,2,0,0,0,0|1,0,0]=3 7048 B13R0.336 CC/C=C\COCCCCCCOC 34a_200012092642_100103147603 [0,2,0,0,0,0|1,0,0]=3 7049 B13R0.336 CC/C=C\COCCCCCCOC 7a_200012092642_100103147603 [0,2,0,0,0,0|1,0,0]=3 7050 B13R0.336 CC/C=C\COCCCOCCCC 34a_200011215613_100103147603 [0,2,0,0,0,0|1,0,0]=3 7051 B13R0.336 CC/C=C\COCCCOCCCC 7a_200011215613_100103147603 [0,2,0,0,0,0|1,0,0]=3 7052 B13R0.336 CC/C=C\COCCCOCCCN 34a_100011310245_100103147603 [0,2,0,0,0,0|2,0,0]=4 7053 B13R0.336 CC/C=C\COCCCOCCOC 34a_100016268518_100011216529 [0,2,0,0,0,0|2,0,0]=4 7054 B13R0.336 CC/C=C\COCCNCCCCC 34a_100000224656_100103147603 [0,2,0,0,0,0|1,0,0]=3 7055 B13R0.336 CC/C=C\COCCOCCCCC 34a_100011215259_100103147603 [0,2,0,0,0,0|1,0,0]=3 7056 B13R0.336 CC/C=C\COCCOCCCCC 7a_100011215259_100103147603 [0,2,0,0,0,0|1,0,0]=3 7057 B13R0.336 CC/C=C\COCCOCCOCC 34a_100000210240_100103147603 [0,2,0,0,0,0|2,0,0]=4 7058 B13R0.336 CC/C=C\COCCOCCOCC 34a_100016268518_100011211534 [0,2,0,0,0,0|2,0,0]=4 7059 B13R0.336 CC/C=C\COCCOCCOCC 7a_100000210240_100103147603 [0,2,0,0,0,0|2,0,0]=4 7060 B13R0.336 CC/C=C\CSCC#CCCCCC 62a_100009816472_100103147603 [0,2,0,0,0,0|1,0,1]=4 7061 B13R0.336 CC/C=C\CSCC#CCCCCC 62a_100103147603_100009816472 [0,2,0,0,0,0|1,0,1]=4 7062 B13R0.336 CC/C=C\CSCCCCCCC#N 62a_100009813337_100103147603 [0,2,0,0,0,0|1,0,1]=4 7063 B13R0.336 CC/C=C\CSCCCCCCC#N 62a_100103147603_100009813337 [0,2,0,0,0,0|1,0,1]=4 7064 B13R0.336 CC/C=C\CSCCCCCCCO 62a_100000760002_100103147603 [0,2,0,0,0,0|1,0,0]=3 7065 B13R0.336 CC/C=C\CSCCCCCCCO 62a_100103147603_100000760002 [0,2,0,0,0,0|1,0,0]=3 7066 B13R0.336 CC/C=C\CSCCCCCCOC 62a_100011998445_100103147603 [0,2,0,0,0,0|1,0,0]=3 7067 B13R0.336 CC/C=C\CSCCCCCCOC 62a_100103147603_100011998445 [0,2,0,0,0,0|1,0,0]=3 7068 B13R0.336 CC/C=C\CSCCCOCCOC 62a_100011216529_100103147603 [0,2,0,0,0,0|2,0,0]=4 7069 B13R0.336 CC/C=C\CSCCCOCCOC 62a_100103147603_100011216529 [0,2,0,0,0,0|2,0,0]=4 7070 B13R0.336 CC/C=C\CSCCOCCOCC 62a_100011211534_100103147603 [0,2,0,0,0,0|2,0,0]=4 7071 B13R0.336 CC/C=C\CSCCOCCOCC 62a_100103147603_100011211534 [0,2,0,0,0,0|2,0,0]=4 7072 B13R0.336 CC=CCOCCCCC/C=C\CC 34a_100016268722_100000070051 [0,2,0,0,0,0|1,0,1]=4 7073 B13R0.336 CC=CCOCCCCC/C=C\CC 7a_100016268722_100000070051 [0,2,0,0,0,0|1,0,1]=4 7074 B13R0.336 CCC#CCCCCCCNCCO 2230a_100016997473_200000036426 [0,2,0,0,0,0|1,0,1]=4 7075 B13R0.336 CCC#CCCCCCCNCCO 34a_100016990907_200000036426 [0,2,0,0,0,0|1,0,1]=4 7076 B13R0.336 CCC#CCCCCCCSCCO 62a_100000211926_200000036426 [0,2,0,0,0,0|1,0,1]=4 7077 B13R0.336 CCC#CCCCCCCSCCO 62a_200000036426_100000211926 [0,2,0,0,0,0|1,0,1]=4 7078 B13R0.336 CCC#CCOCCCC/C=C\CC 34a_100016287862_100009813939 [0,2,0,0,0,0|1,0,1]=4 7079 B13R0.336 CCC#CCOCCCC/C=C\CC 7a_100016287862_100009813939 [0,2,0,0,0,0|1,0,1]=4 7080 B13R0.336 CCC/C=C/COCCCCCCC 34a_100016278788_100000210614 [0,2,0,0,0,0|1,0,0]=3 7081 B13R0.336 CCC/C=C/COCCCCCCC 7a_100016278788_100000210614 [0,2,0,0,0,0|1,0,0]=3 7082 B13R0.336 CCC/C=C/COCCCCCCF 34a_100016278788_100015922095 [0,2,0,0,0,0|2,0,0]=4 7083 B13R0.336 CCC/C=C/COCCCCCCF 7a_100016278788_100015922095 [0,2,0,0,0,0|2,0,0]=4 7084 B13R0.336 CCC/C=C/COCCCCCCO 34a_100016278788_100000766143 [0,2,0,0,0,0|2,0,0]=4 7085 B13R0.336 CCC/C=C/COCCCCCCO 7a_100016278788_100000766143 [0,2,0,0,0,0|2,0,0]=4 7086 B13R0.336 CCC/C=C/COCCOCCCC 34a_100016278788_100000743108 [0,2,0,0,0,0|2,0,0]=4 7087 B13R0.336 CCC/C=C/COCCOCCCC 7a_100016278788_100000743108 [0,2,0,0,0,0|2,0,0]=4 7088 B13R0.336 CCCC/C=C/CCCCOCCC 34a_200020645093_100000210303 [0,2,0,0,0,0|2,0,0]=4 7089 B13R0.336 CCCC/C=C/CCCCOCCC 7a_200020645093_100000210303 [0,2,0,0,0,0|2,0,0]=4 7090 B13R0.336 CCCC/C=C/CCCCOCCO 34a_200020645093_100000211926 [0,2,0,0,0,0|1,0,1]=4 7091 B13R0.336 CCCC/C=C/CCCCOCCO 7a_200020645093_100000211926 [0,2,0,0,0,0|1,0,1]=4 7092 B13R0.336 CCCC/C=C/COCCCCCC 34a_200016272032_100000210314 [0,2,0,0,0,0|2,0,0]=4 7093 B13R0.336 CCCC/C=C/COCCCCCC 7a_200016272032_100000210314 [0,2,0,0,0,0|2,0,0]=4 7094 B13R0.336 CCCC/C=C\CCOCCCCC 34a_200016286491_100000718602 [0,2,0,0,0,0|2,0,0]=4 7095 B13R0.336 CCCC/C=C\CCOCCCCC 7a_200016286491_100000210326 [0,2,0,0,0,0|2,0,0]=4 7096 B13R0.336 CCCCC#CCCCCOCCO 34a_200000066234_100000211926 [0,2,0,0,0,0|1,0,1]=4 7097 B13R0.336 CCCCC#CCCCCOCCO 7a_200000066234_100000211926 [0,2,0,0,0,0|1,0,1]=4 7098 B13R0.336 CCCCC/C=C\CCCOCCO 34a_100020655193_100000211926 [0,2,0,0,0,0|1,0,1]=4 7099 B13R0.336 CCCCC/C=C\CCCOCCO 7a_100020655193_100000211926 [0,2,0,0,0,0|1,0,1]=4 7100 B13R0.336 CCCCCC/C=C/C=C/COCC 34a_200028454808_100000210202 [0,2,0,0,0,0|0,0,2]=4 7101 B13R0.336 CCCCCC/C=C/C=C/COCC 7a_200028454808_100000210202 [0,2,0,0,0,0|0,0,2]=4 7102 B13R0.336 CCCCCC/C=C/C=C/COCF 34a_200028454808_100015361967 [0,2,0,0,0,0|0,0,2]=4 7103 B13R0.336 CCCCCC/C=C/C=C/COCF 7a_200028454808_100015361967 [0,2,0,0,0,0|0,0,2]=4 7104 B13R0.336 CCCCCCC#CCCOCCO 34a_200000033163_100000211926 [0,2,0,0,0,0|1,0,1]=4 7105 B13R0.336 CCCCCCC#CCCOCCO 7a_200000033163_100000211926 [0,2,0,0,0,0|1,0,1]=4 7106 B13R0.336 CCCCCCC/C=C/C=C/COC 34a_200025756345_200000210301 [0,2,0,0,0,0|0,0,1]=3 7107 B13R0.336 CCCCCCC/C=C/C=C/COC 7a_200025756345_200000210301 [0,2,0,0,0,0|0,0,1]=3 7108 B13R0.336 CCCCCCC/C=C/C=C/CO[13CH3] 34a_200025756345_200025704644 [0,2,0,0,0,0|0,0,1]=3 7109 B13R0.336 CCCCCCC/C=C/C=C/CO[13CH3] 7a_200025756345_200025704644 [0,2,0,0,0,0|0,0,1]=3 7110 B13R0.336 CCCCCCCC#CCOCCO 34a_200000061759_100000211926 [0,2,0,0,0,0|1,0,1]=4 7111 B13R0.336 CCCCCCCC#CCOCCO 7a_200000061759_100000211926 [0,2,0,0,0,0|1,0,1]=4 7112 B13R0.336 CCCCCCCC/C=C/COCC 34a_200020667288_100000210202 [0,2,0,0,0,0|0,0,0]=2 7113 B13R0.336 CCCCCCCC/C=C/COCC 7a_200020667288_100000210202 [0,2,0,0,0,0|0,0,0]=2 7114 B13R0.336 CCCCCCCC/C=C/COCF 34a_200020667288_100015361967 [0,2,0,0,0,0|0,0,0]=2 7115 B13R0.336 CCCCCCCC/C=C/COCF 7a_200020667288_100015361967 [0,2,0,0,0,0|0,0,0]=2 7116 B13R0.336 CCCCCCCC=CC=NNCC 4a_100000756455_200016991098 [0,2,0,0,0,0|1,0,1]=4 7117 B13R0.336 CCCCCCCCC/C=C/COC 34a_100015232335_200000210301 [0,2,0,0,0,0|0,0,0]=2 7118 B13R0.336 CCCCCCCCC/C=C/COC 7a_100015232335_200000210301 [0,2,0,0,0,0|0,0,0]=2 7119 B13R0.336 CCCCCCCCC/C=C/CO[13CH3] 34a_100015232335_200025704644 [0,2,0,0,0,0|0,0,0]=2 7120 B13R0.336 CCCCCCCCC/C=C/CO[13CH3] 7a_100015232335_200025704644 [0,2,0,0,0,0|0,0,0]=2 7121 B13R0.336 CCCCCCCCC=NNCCC 4a_100000740057_100011218696 [0,2,0,0,0,0|1,0,1]=4 7122 B13R0.336 CCCCCCCCC=NNCCO 4a_100000210001_100011218696 [0,2,0,0,0,0|0,0,1]=3 7123 B13R0.336 CCCCCCCCCC=NNCC 4a_100000756455_100000210895 [0,2,0,0,0,0|1,0,1]=4 7124 B13R0.336 CCCCCCCCCCCCOC 34a_100000210810_200000210301 [0,2,0,0,0,0|0,0,2]=4 7125 B13R0.336 CCCCCCCCCCCCOC 34a_100138415774_100000759014 [0,2,0,0,0,0|0,0,2]=4 7126 B13R0.336 CCCCCCCCCCCCOC 7a_100000210810_200000210301 [0,2,0,0,0,0|0,0,2]=4 7127 B13R0.336 CCCCCCCCCCCCO[13CH3] 34a_100000210810_200025704644 [0,2,0,0,0,0|0,0,2]=4 7128 B13R0.336 CCCCCCCCCCCCO[13CH3] 7a_100000210810_200025704644 [0,2,0,0,0,0|0,0,2]=4 7129 B13R0.336 CCCCCCCCCCCOCC 34a_100000210809_100000210202 [0,2,0,0,0,0|0,0,2]=4 7130 B13R0.336 CCCCCCCCCCCOCC 34a_100121572206_100011215454 [0,2,0,0,0,0|0,0,2]=4 7131 B13R0.336 CCCCCCCCCCCOCC 7a_100000210809_100000210202 [0,2,0,0,0,0|0,0,2]=4 7132 B13R0.336 CCCCCCCCCCCOCF 34a_100000210809_100015361967 [0,2,0,0,0,0|0,0,2]=4 7133 B13R0.336 CCCCCCCCCCCOCF 7a_100000210809_100015361967 [0,2,0,0,0,0|0,0,2]=4 7134 B13R0.336 CCCCCCCCCCNCCO 2230a_100000684558_100000211926 [0,2,0,0,0,0|0,0,2]=4 7135 B13R0.336 CCCCCCCCCCNCCO 2230a_100016997473_100000210320 [0,2,0,0,0,0|0,0,2]=4 7136 B13R0.336 CCCCCCCCCCNCCO 34a_100000684558_100000211926 [0,2,0,0,0,0|0,0,2]=4 7137 B13R0.336 CCCCCCCCCCNCCO 34a_100016990907_100000210320 [0,2,0,0,0,0|0,0,2]=4 7138 B13R0.336 CCCCCCCCCCNCOC 2230a_100000684558_100000766300 [0,2,0,0,0,0|0,0,2]=4 7139 B13R0.336 CCCCCCCCCCOCCO 34a_100000210711_100000211926 [0,2,0,0,0,0|0,0,2]=4 7140 B13R0.336 CCCCCCCCCCOCCO 7a_100000210711_100000211926 [0,2,0,0,0,0|0,0,2]=4 7141 B13R0.336 CCCCCCCCCCSCCO 62a_100000211926_100000210320 [0,2,0,0,0,0|0,0,2]=4 7142 B13R0.336 CCCCCCCCCCSCOC 62a_100000766300_100000210320 [0,2,0,0,0,0|0,0,2]=4 7143 B13R0.336 CCCCCCCCCNCCCO 2230a_100000212291_100000230001 [0,2,0,0,0,0|0,0,2]=4 7144 B13R0.336 CCCCCCCCCNCCCO 34a_100000212291_100000230001 [0,2,0,0,0,0|0,0,2]=4 7145 B13R0.336 CCCCCCCCCNCCOC 2230a_100000209980_100011214924 [0,2,0,0,0,0|0,0,2]=4 7146 B13R0.336 CCCCCCCCCNCCOC 2230a_100000212291_100011201679 [0,2,0,0,0,0|0,0,2]=4 7147 B13R0.336 CCCCCCCCCNCCOC 34a_100000212291_100011201679 [0,2,0,0,0,0|0,0,2]=4 7148 B13R0.336 CCCCCCCCCOCCCO 34a_100000210712_100000230001 [0,2,0,0,0,0|0,0,2]=4 7149 B13R0.336 CCCCCCCCCOCCCO 7a_100000210712_100011215043 [0,2,0,0,0,0|0,0,2]=4 7150 B13R0.336 CCCCCCCCCOCCOC 34a_100000210237_100011214924 [0,2,0,0,0,0|0,0,2]=4 7151 B13R0.336 CCCCCCCCCOCCOC 34a_100000210712_100011201679 [0,2,0,0,0,0|0,0,2]=4 7152 B13R0.336 CCCCCCCCCOCCOC 7a_100000210712_100000233755 [0,2,0,0,0,0|0,0,2]=4 7153 B13R0.336 CCCCCCCCCOCCON 34a_100000700252_100011214924 [0,2,0,0,0,0|0,0,2]=4 7154 B13R0.336 CCCCCCCCCSCCCO 62a_100011215043_100000210670 [0,2,0,0,0,0|0,0,2]=4 7155 B13R0.336 CCCCCCCCCSCCOC 62a_100000233755_100000210670 [0,2,0,0,0,0|0,0,2]=4 7156 B13R0.336 CCCCCCCCCSCOCC 62a_100000739092_100000210670 [0,2,0,0,0,0|1,0,1]=4 7157 B13R0.336 CCCCCCCCNCC#CCO 2230a_100000229939_200000047223 [0,2,0,0,0,0|0,0,2]=4 7158 B13R0.336 CCCCCCCCNCC#CCO 34a_100000229939_200000047223 [0,2,0,0,0,0|0,0,2]=4 7159 B13R0.336 CCCCCCCCNCCCCO 2230a_100000229939_100000210776 [0,2,0,0,0,0|0,0,2]=4 7160 B13R0.336 CCCCCCCCNCCCCO 2230a_100000750430_100000210759 [0,2,0,0,0,0|0,0,2]=4 7161 B13R0.336 CCCCCCCCNCCCCO 34a_100000229939_100011216708 [0,2,0,0,0,0|0,0,2]=4 7162 B13R0.336 CCCCCCCCNCCCCO 34a_100000750430_100000210759 [0,2,0,0,0,0|0,0,2]=4 7163 B13R0.336 CCCCCCCCNCCCOC 2230a_100000229939_100000740836 [0,2,0,0,0,0|0,0,2]=4 7164 B13R0.336 CCCCCCCCNCCCOC 34a_100000229939_100000740836 [0,2,0,0,0,0|0,0,2]=4 7165 B13R0.336 CCCCCCCCNCCCOC 34a_100150723488_100000210759 [0,2,0,0,0,0|0,0,2]=4 7166 B13R0.336 CCCCCCCCNCCOCC 2230a_100000229939_100011215890 [0,2,0,0,0,0|1,0,1]=4 7167 B13R0.336 CCCCCCCCNCCOCC 2230a_102516460346_100000210759 [0,2,0,0,0,0|1,0,1]=4 7168 B13R0.336 CCCCCCCCNCCOCC 34a_100000229939_100000210147 [0,2,0,0,0,0|1,0,1]=4 7169 B13R0.336 CCCCCCCCNCCOCC 34a_102516460346_100000210759 [0,2,0,0,0,0|1,0,1]=4 7170 B13R0.336 CCCCCCCCOCC#CCO 34a_100000210232_200000047223 [0,2,0,0,0,0|0,0,2]=4 7171 B13R0.336 CCCCCCCCOCC#CCO 7a_100000210232_200000047223 [0,2,0,0,0,0|0,0,2]=4 7172 B13R0.336 CCCCCCCCOCCCCO 34a_100000210232_100011216708 [0,2,0,0,0,0|0,0,2]=4 7173 B13R0.336 CCCCCCCCOCCCCO 7a_100000210232_100000210776 [0,2,0,0,0,0|0,0,2]=4 7174 B13R0.336 CCCCCCCCOCCCOC 34a_100000210232_100000740836 [0,2,0,0,0,0|0,0,2]=4 7175 B13R0.336 CCCCCCCCOCCCOC 34a_100000740835_100000210759 [0,2,0,0,0,0|0,0,2]=4 7176 B13R0.336 CCCCCCCCOCCCOC 7a_100000210232_100000740836 [0,2,0,0,0,0|0,0,2]=4 7177 B13R0.336 CCCCCCCCOCCOCC 34a_100000210136_100000210759 [0,2,0,0,0,0|1,0,1]=4 7178 B13R0.336 CCCCCCCCOCCOCC 34a_100000210232_100000210147 [0,2,0,0,0,0|1,0,1]=4 7179 B13R0.336 CCCCCCCCOCCOCC 7a_100000210136_100000210759 [0,2,0,0,0,0|1,0,1]=4 7180 B13R0.336 CCCCCCCCOCCOCC 7a_100000210232_100011215890 [0,2,0,0,0,0|1,0,1]=4 7181 B13R0.336 CCCCCCCCSCC#CCO 62a_100000210759_200000047223 [0,2,0,0,0,0|0,0,2]=4 7182 B13R0.336 CCCCCCCCSCC#CCO 62a_200000047223_100000210317 [0,2,0,0,0,0|0,0,2]=4 7183 B13R0.336 CCCCCCCCSCCCCO 62a_100000210759_100000210776 [0,2,0,0,0,0|0,0,2]=4 7184 B13R0.336 CCCCCCCCSCCCCO 62a_100000210776_100000210317 [0,2,0,0,0,0|0,0,2]=4 7185 B13R0.336 CCCCCCCCSCCCOC 62a_100000210759_100000709357 [0,2,0,0,0,0|0,0,2]=4 7186 B13R0.336 CCCCCCCCSCCCOC 62a_100000709357_100000210317 [0,2,0,0,0,0|0,0,2]=4 7187 B13R0.336 CCCCCCCCSCCOCC 62a_100000210147_100000210317 [0,2,0,0,0,0|1,0,1]=4 7188 B13R0.336 CCCCCCCCSCCOCC 62a_100000210759_100011215890 [0,2,0,0,0,0|1,0,1]=4 7189 B13R0.336 CCCCCCCNCCCCCO 2230a_100000229938_100000746330 [0,2,0,0,0,0|0,0,2]=4 7190 B13R0.336 CCCCCCCNCCCCCO 2230a_100000762737_100000210681 [0,2,0,0,0,0|0,0,2]=4 7191 B13R0.336 CCCCCCCNCCCCCO 34a_100000762737_100000210614 [0,2,0,0,0,0|0,0,2]=4 7192 B13R0.336 CCCCCCCNCCCCOC 2230a_100000229938_100000730899 [0,2,0,0,0,0|0,0,2]=4 7193 B13R0.336 CCCCCCCNCCOCCO 2230a_100000211614_100000210681 [0,2,0,0,0,0|0,0,2]=4 7194 B13R0.336 CCCCCCCNCCOCCO 2230a_100000229938_100011215305 [0,2,0,0,0,0|0,0,2]=4 7195 B13R0.336 CCCCCCCNCCOCCO 34a_100000211614_100000210614 [0,2,0,0,0,0|0,0,2]=4 7196 B13R0.336 CCCCCCCNCCSCCO 2230a_100011219999_100000210681 [0,2,0,0,0,0|0,0,2]=4 7197 B13R0.336 CCCCCCCNCOCCOC 2230a_100000229938_100000231047 [0,2,0,0,0,0|1,0,1]=4 7198 B13R0.336 CCCCCCCOCCCCCO 34a_100000210272_100000746330 [0,2,0,0,0,0|0,0,2]=4 7199 B13R0.336 CCCCCCCOCCCCCO 7a_100000210272_100000746330 [0,2,0,0,0,0|0,0,2]=4 7200 B13R0.336 CCCCCCCOCCCCOC 34a_100000210272_100000755781 [0,2,0,0,0,0|0,0,2]=4 7201 B13R0.336 CCCCCCCOCCCCOC 34a_100000740925_100000210614 [0,2,0,0,0,0|0,0,2]=4 7202 B13R0.336 CCCCCCCOCCCCOC 7a_100000210272_100000730899 [0,2,0,0,0,0|0,0,2]=4 7203 B13R0.336 CCCCCCCOCCOCCO 34a_100000210272_100000692535 [0,2,0,0,0,0|0,0,2]=4 7204 B13R0.336 CCCCCCCOCCOCCO 7a_100000210272_100011215305 [0,2,0,0,0,0|0,0,2]=4 7205 B13R0.336 CCCCCCCSCCCCCO 62a_100000210614_100000746330 [0,2,0,0,0,0|0,0,2]=4 7206 B13R0.336 CCCCCCCSCCCCCO 62a_100000746330_100000210316 [0,2,0,0,0,0|0,0,2]=4 7207 B13R0.336 CCCCCCCSCCCCOC 62a_100000210614_100000730899 [0,2,0,0,0,0|0,0,2]=4 7208 B13R0.336 CCCCCCCSCCCCOC 62a_100000730899_100000210316 [0,2,0,0,0,0|0,0,2]=4 7209 B13R0.336 CCCCCCCSCCOCCO 62a_100000210614_100011215305 [0,2,0,0,0,0|0,0,2]=4 7210 B13R0.336 CCCCCCCSCCOCCO 62a_100011215305_100000210316 [0,2,0,0,0,0|0,0,2]=4 7211 B13R0.336 CCCCCCCSCOCCOC 62a_100000210614_100000231047 [0,2,0,0,0,0|1,0,1]=4 7212 B13R0.336 CCCCCCCSCOCCOC 62a_100000231047_100000210316 [0,2,0,0,0,0|1,0,1]=4 7213 B13R0.336 CCCCCCNCCCCCCO 2230a_100000210581_100000766143 [0,2,0,0,0,0|0,0,2]=4 7214 B13R0.336 CCCCCCNCCCCCCO 2230a_100000686447_100000210314 [0,2,0,0,0,0|0,0,2]=4 7215 B13R0.336 CCCCCCNCCCCCCO 34a_100000686447_100000210314 [0,2,0,0,0,0|0,0,2]=4 7216 B13R0.336 CCCCCCNCCCCCOC 2230a_100000747528_100000210314 [0,2,0,0,0,0|0,0,2]=4 7217 B13R0.336 CCCCCCNCCCCCOC 34a_100000747528_100000210314 [0,2,0,0,0,0|0,0,2]=4 7218 B13R0.336 CCCCCCNCCOCCOC 2230a_100000210581_100000695917 [0,2,0,0,0,0|1,0,1]=4 7219 B13R0.336 CCCCCCNCCOCCOC 2230a_100000745349_100000210314 [0,2,0,0,0,0|1,0,1]=4 7220 B13R0.336 CCCCCCNCCOCCOC 34a_100000745349_100000210314 [0,2,0,0,0,0|1,0,1]=4 7221 B13R0.336 CCCCCCOCCCCCCO 34a_100000210259_100000766143 [0,2,0,0,0,0|0,0,2]=4 7222 B13R0.336 CCCCCCOCCCCCCO 7a_100000210259_100000766143 [0,2,0,0,0,0|0,0,2]=4 7223 B13R0.336 CCCCCCOCCOCCCO 34a_100000691444_100000230001 [0,2,0,0,0,0|0,0,2]=4 7224 B13R0.336 CCCCCCOCCOCCCO 7a_100000691444_100011215043 [0,2,0,0,0,0|0,0,2]=4 7225 B13R0.336 CCCCCCOCCOCCOC 34a_100000032842_200000210301 [0,2,0,0,0,0|1,0,1]=4 7226 B13R0.336 CCCCCCOCCOCCOC 34a_100000210259_100000695917 [0,2,0,0,0,0|1,0,1]=4 7227 B13R0.336 CCCCCCOCCOCCOC 34a_100000691444_100011201679 [0,2,0,0,0,0|1,0,1]=4 7228 B13R0.336 CCCCCCOCCOCCOC 34a_100011215163_100000210314 [0,2,0,0,0,0|1,0,1]=4 7229 B13R0.336 CCCCCCOCCOCCOC 7a_100000032842_200000210301 [0,2,0,0,0,0|1,0,1]=4 7230 B13R0.336 CCCCCCOCCOCCOC 7a_100000210259_100000695917 [0,2,0,0,0,0|1,0,1]=4 7231 B13R0.336 CCCCCCOCCOCCOC 7a_100000691444_100000233755 [0,2,0,0,0,0|1,0,1]=4 7232 B13R0.336 CCCCCCOCCOCCOC 7a_100011215163_100000210314 [0,2,0,0,0,0|1,0,1]=4 7233 B13R0.336 CCCCCCOCCOCCO[13CH3] 34a_100000032842_200025704644 [0,2,0,0,0,0|1,0,1]=4 7234 B13R0.336 CCCCCCOCCOCCO[13CH3] 7a_100000032842_200025704644 [0,2,0,0,0,0|1,0,1]=4 7235 B13R0.336 CCCCCCSCCCCCCO 62a_100000210314_100000766143 [0,2,0,0,0,0|0,0,2]=4 7236 B13R0.336 CCCCCCSCCCCCCO 62a_100000766143_100000210757 [0,2,0,0,0,0|0,0,2]=4 7237 B13R0.336 CCCCCCSCCOCCOC 62a_100000210314_100000695917 [0,2,0,0,0,0|1,0,1]=4 7238 B13R0.336 CCCCCCSCCOCCOC 62a_100000695917_100000210757 [0,2,0,0,0,0|1,0,1]=4 7239 B13R0.336 CCCCCNCCCCCCCO 2230a_100000209983_100000760002 [0,2,0,0,0,0|0,0,2]=4 7240 B13R0.336 CCCCCNCCCCCCCO 2230a_100011996573_100000210326 [0,2,0,0,0,0|0,0,2]=4 7241 B13R0.336 CCCCCNCCCCCCCO 34a_100011996573_100000718602 [0,2,0,0,0,0|0,0,2]=4 7242 B13R0.336 CCCCCNCCCCCCOC 2230a_100000209983_100011998445 [0,2,0,0,0,0|0,0,2]=4 7243 B13R0.336 CCCCCNCCCOCCCO 2230a_100011310245_100000210326 [0,2,0,0,0,0|0,0,2]=4 7244 B13R0.336 CCCCCNCCCOCCCO 34a_100011310245_100000718602 [0,2,0,0,0,0|0,0,2]=4 7245 B13R0.336 CCCCCNCCCOCCOC 2230a_100000206027_100000210326 [0,2,0,0,0,0|1,0,1]=4 7246 B13R0.336 CCCCCNCCCOCCOC 2230a_100000209983_100011216529 [0,2,0,0,0,0|1,0,1]=4 7247 B13R0.336 CCCCCNCCCOCCOC 34a_100000206027_100000718602 [0,2,0,0,0,0|1,0,1]=4 7248 B13R0.336 CCCCCNCCOCC#CCO 34a_100000224656_200000047223 [0,2,0,0,0,0|0,0,2]=4 7249 B13R0.336 CCCCCNCCOCCCCO 34a_100000224656_100011216708 [0,2,0,0,0,0|0,0,2]=4 7250 B13R0.336 CCCCCOCCCCCCCO 34a_100000210253_100000760002 [0,2,0,0,0,0|0,0,2]=4 7251 B13R0.336 CCCCCOCCCCCCCO 7a_100000210253_100000760002 [0,2,0,0,0,0|0,0,2]=4 7252 B13R0.336 CCCCCOCCCCCCOC 34a_100000210253_100011998445 [0,2,0,0,0,0|0,0,2]=4 7253 B13R0.336 CCCCCOCCCCCCOC 34a_200012092642_100000718602 [0,2,0,0,0,0|0,0,2]=4 7254 B13R0.336 CCCCCOCCCCCCOC 7a_100000210253_100011998445 [0,2,0,0,0,0|0,0,2]=4 7255 B13R0.336 CCCCCOCCCCCCOC 7a_200012092642_100000210326 [0,2,0,0,0,0|0,0,2]=4 7256 B13R0.336 CCCCCOCCCOCCOC 34a_100000210253_100011216529 [0,2,0,0,0,0|1,0,1]=4 7257 B13R0.336 CCCCCOCCCOCCOC 7a_100000210253_100011216529 [0,2,0,0,0,0|1,0,1]=4 7258 B13R0.336 CCCCCOCCOCC#CCO 34a_100011215259_200000047223 [0,2,0,0,0,0|0,0,2]=4 7259 B13R0.336 CCCCCOCCOCC#CCO 7a_100011215259_200000047223 [0,2,0,0,0,0|0,0,2]=4 7260 B13R0.336 CCCCCOCCOCCCCO 34a_100011215259_100011216708 [0,2,0,0,0,0|0,0,2]=4 7261 B13R0.336 CCCCCOCCOCCCCO 7a_100011215259_100000210776 [0,2,0,0,0,0|0,0,2]=4 7262 B13R0.336 CCCCCSCCCCCCCO 62a_100000210326_100000760002 [0,2,0,0,0,0|0,0,2]=4 7263 B13R0.336 CCCCCSCCCCCCCO 62a_100000760002_100000210326 [0,2,0,0,0,0|0,0,2]=4 7264 B13R0.336 CCCCCSCCCCCCOC 62a_100000210326_100011998445 [0,2,0,0,0,0|0,0,2]=4 7265 B13R0.336 CCCCCSCCCCCCOC 62a_100011998445_100000210326 [0,2,0,0,0,0|0,0,2]=4 7266 B13R0.336 CCCCCSCCCOCCOC 62a_100000210326_100011216529 [0,2,0,0,0,0|1,0,1]=4 7267 B13R0.336 CCCCCSCCCOCCOC 62a_100011216529_100000210326 [0,2,0,0,0,0|1,0,1]=4 7268 B13R0.336 CCCCNCCCCCCCCO 2230a_100000102301_100000033203 [0,2,0,0,0,0|0,0,2]=4 7269 B13R0.336 CCCCNCCCCCCCCO 2230a_102515433106_100000210211 [0,2,0,0,0,0|0,0,2]=4 7270 B13R0.336 CCCCNCCCCCCCCO 34a_102515433106_100000210210 [0,2,0,0,0,0|0,0,2]=4 7271 B13R0.336 CCCCNCCCCCCCCO 7a_106832991798_100000033203 [0,2,0,0,0,0|0,0,2]=4 7272 B13R0.336 CCCCNCCCCOCCCO 34a_200011216965_100000230001 [0,2,0,0,0,0|0,0,2]=4 7273 B13R0.336 CCCCNCCCCOCCOC 34a_200011216965_100011201679 [0,2,0,0,0,0|1,0,1]=4 7274 B13R0.336 CCCCNCCOCCOCCO 2230a_100000102301_100000032323 [0,2,0,0,0,0|1,0,1]=4 7275 B13R0.336 CCCCNCCOCCOCCO 2230a_100011998139_100000210211 [0,2,0,0,0,0|1,0,1]=4 7276 B13R0.336 CCCCNCCOCCOCCO 34a_100011998139_100000210210 [0,2,0,0,0,0|1,0,1]=4 7277 B13R0.336 CCCCNCCOCCOCCO 7a_106832991798_100000032323 [0,2,0,0,0,0|1,0,1]=4 7278 B13R0.336 CCCCOCCCCCCCCO 34a_100000210227_100000033203 [0,2,0,0,0,0|0,0,2]=4 7279 B13R0.336 CCCCOCCCCCCCCO 7a_100000210227_100000033203 [0,2,0,0,0,0|0,0,2]=4 7280 B13R0.336 CCCCOCCCCOCCCO 34a_200000760531_100000230001 [0,2,0,0,0,0|0,0,2]=4 7281 B13R0.336 CCCCOCCCCOCCCO 7a_200000760531_100011215043 [0,2,0,0,0,0|0,0,2]=4 7282 B13R0.336 CCCCOCCCCOCCOC 34a_200000760531_100011201679 [0,2,0,0,0,0|1,0,1]=4 7283 B13R0.336 CCCCOCCCCOCCOC 7a_200000760531_100000233755 [0,2,0,0,0,0|1,0,1]=4 7284 B13R0.336 CCCCOCCCNCC#CCO 2230a_200000211371_200000047223 [0,2,0,0,0,0|0,0,2]=4 7285 B13R0.336 CCCCOCCCNCC#CCO 34a_200000211371_200000047223 [0,2,0,0,0,0|0,0,2]=4 7286 B13R0.336 CCCCOCCCNCCCCO 2230a_200000211371_100000210776 [0,2,0,0,0,0|0,0,2]=4 7287 B13R0.336 CCCCOCCCNCCCCO 34a_200000211371_100011216708 [0,2,0,0,0,0|0,0,2]=4 7288 B13R0.336 CCCCOCCCOCC#CCO 34a_200011215613_200000047223 [0,2,0,0,0,0|0,0,2]=4 7289 B13R0.336 CCCCOCCCOCC#CCO 7a_200011215613_200000047223 [0,2,0,0,0,0|0,0,2]=4 7290 B13R0.336 CCCCOCCCOCCCCO 34a_200011215613_100011216708 [0,2,0,0,0,0|0,0,2]=4 7291 B13R0.336 CCCCOCCCOCCCCO 7a_200011215613_100000210776 [0,2,0,0,0,0|0,0,2]=4 7292 B13R0.336 CCCCOCCNCCCCCO 2230a_100000762737_100000743108 [0,2,0,0,0,0|0,0,2]=4 7293 B13R0.336 CCCCOCCNCCCCCO 34a_100000762737_100000743108 [0,2,0,0,0,0|0,0,2]=4 7294 B13R0.336 CCCCOCCNCCOCCO 2230a_100000211614_100000743108 [0,2,0,0,0,0|1,0,1]=4 7295 B13R0.336 CCCCOCCNCCOCCO 34a_100000211614_100000743108 [0,2,0,0,0,0|1,0,1]=4 7296 B13R0.336 CCCCOCCNCCSCCO 2230a_100011219999_100000743108 [0,2,0,0,0,0|1,0,1]=4 7297 B13R0.336 CCCCOCCOCCCCCO 34a_100000210238_100000746330 [0,2,0,0,0,0|0,0,2]=4 7298 B13R0.336 CCCCOCCOCCCCCO 7a_100000210238_100000746330 [0,2,0,0,0,0|0,0,2]=4 7299 B13R0.336 CCCCOCCOCCOCCO 34a_100000210227_100000032323 [0,2,0,0,0,0|1,0,1]=4 7300 B13R0.336 CCCCOCCOCCOCCO 34a_100000210238_100000692535 [0,2,0,0,0,0|1,0,1]=4 7301 B13R0.336 CCCCOCCOCCOCCO 34a_100011215186_100000211926 [0,2,0,0,0,0|1,0,1]=4 7302 B13R0.336 CCCCOCCOCCOCCO 7a_100000210227_100000032323 [0,2,0,0,0,0|1,0,1]=4 7303 B13R0.336 CCCCOCCOCCOCCO 7a_100000210238_100011215305 [0,2,0,0,0,0|1,0,1]=4 7304 B13R0.336 CCCCOCCOCCOCCO 7a_100011215186_100000211926 [0,2,0,0,0,0|1,0,1]=4 7305 B13R0.336 CCCCOCCSCCCCCO 62a_100000743108_100000746330 [0,2,0,0,0,0|0,0,2]=4 7306 B13R0.336 CCCCOCCSCCCCCO 62a_100000746330_100000743108 [0,2,0,0,0,0|0,0,2]=4 7307 B13R0.336 CCCCOCCSCCOCCO 62a_100000743108_100011215305 [0,2,0,0,0,0|1,0,1]=4 7308 B13R0.336 CCCCOCCSCCOCCO 62a_100011215305_100000743108 [0,2,0,0,0,0|1,0,1]=4 7309 B13R0.336 CCCCOCNCCCCCCO 2230a_100000686447_100011995733 [0,2,0,0,0,0|0,0,2]=4 7310 B13R0.336 CCCCOCNCCCCCCO 34a_100000686447_100011995733 [0,2,0,0,0,0|0,0,2]=4 7311 B13R0.336 CCCCOCSCCCCCCO 62a_100000766143_100011995733 [0,2,0,0,0,0|0,0,2]=4 7312 B13R0.336 CCCCOCSCCCCCCO 62a_100011995733_100000766143 [0,2,0,0,0,0|0,0,2]=4 7313 B13R0.336 CCCCSCCCCCCCCO 62a_100000033203_100000210210 [0,2,0,0,0,0|0,0,2]=4 7314 B13R0.336 CCCCSCCCCCCCCO 62a_100000210211_100000033203 [0,2,0,0,0,0|0,0,2]=4 7315 B13R0.336 CCCCSCCNCCCCCO 2230a_100025743550_100000746330 [0,2,0,0,0,0|0,0,2]=4 7316 B13R0.336 CCCCSCCNCCOCCO 2230a_100025743550_100011215305 [0,2,0,0,0,0|1,0,1]=4 7317 B13R0.336 CCCCSCCOCCCCCO 34a_200000230436_100000746330 [0,2,0,0,0,0|0,0,2]=4 7318 B13R0.336 CCCCSCCOCCCCCO 7a_200000230436_100000746330 [0,2,0,0,0,0|0,0,2]=4 7319 B13R0.336 CCCCSCCOCCOCCO 34a_200000230436_100000692535 [0,2,0,0,0,0|1,0,1]=4 7320 B13R0.336 CCCCSCCOCCOCCO 62a_100000032323_100000210210 [0,2,0,0,0,0|1,0,1]=4 7321 B13R0.336 CCCCSCCOCCOCCO 62a_100000210211_100000032323 [0,2,0,0,0,0|1,0,1]=4 7322 B13R0.336 CCCCSCCOCCOCCO 7a_200000230436_100011215305 [0,2,0,0,0,0|1,0,1]=4 7323 B13R0.336 CCCNCCCCCCCCCO 2230a_100000078944_100000210303 [0,2,0,0,0,0|0,0,2]=4 7324 B13R0.336 CCCNCCCCCCCCCO 34a_100000078944_100000210303 [0,2,0,0,0,0|0,0,2]=4 7325 B13R0.336 CCCNCCCOCCOCCO 2230a_100011996194_100000210303 [0,2,0,0,0,0|1,0,1]=4 7326 B13R0.336 CCCNCCCOCCOCCO 34a_100011996194_100000210303 [0,2,0,0,0,0|1,0,1]=4 7327 B13R0.336 CCCOCCCCCCCCCO 34a_100000210258_100009813782 [0,2,0,0,0,0|0,0,2]=4 7328 B13R0.336 CCCOCCCNCCCCCO 2230a_100011217757_100000746330 [0,2,0,0,0,0|0,0,2]=4 7329 B13R0.336 CCCOCCCNCCCCCO 34a_100011217757_100000746330 [0,2,0,0,0,0|0,0,2]=4 7330 B13R0.336 CCCOCCCNCCOCCO 2230a_100011217757_100011215305 [0,2,0,0,0,0|1,0,1]=4 7331 B13R0.336 CCCOCCCNCCOCCO 34a_100011217757_100000692535 [0,2,0,0,0,0|1,0,1]=4 7332 B13R0.336 CCCOCCNCCCCCCO 2230a_100000686447_100011215938 [0,2,0,0,0,0|0,0,2]=4 7333 B13R0.336 CCCOCCNCCCCCCO 2230a_100161115042_100000766143 [0,2,0,0,0,0|0,0,2]=4 7334 B13R0.336 CCCOCCNCCCCCCO 34a_100000686447_100011215938 [0,2,0,0,0,0|0,0,2]=4 7335 B13R0.336 CCCOCCNCCCCCCO 34a_100161115042_100000766143 [0,2,0,0,0,0|0,0,2]=4 7336 B13R0.336 CCCOCCOCCCCCCO 34a_100000752267_100000766143 [0,2,0,0,0,0|0,0,2]=4 7337 B13R0.336 CCCOCCOCCCCCCO 7a_100000752267_100000766143 [0,2,0,0,0,0|0,0,2]=4 7338 B13R0.336 CCCOCCSCCCCCCO 62a_100000766143_100011215938 [0,2,0,0,0,0|0,0,2]=4 7339 B13R0.336 CCCOCCSCCCCCCO 62a_100011215938_100000766143 [0,2,0,0,0,0|0,0,2]=4 7340 B13R0.336 CCCSCCCCCCCCCO 62a_100000210303_100009813782 [0,2,0,0,0,0|0,0,2]=4 7341 B13R0.336 CCCSCCCCCCCCCO 62a_100009813782_100000210303 [0,2,0,0,0,0|0,0,2]=4 7342 B13R0.336 CCCSCCNCCCCCCO 2230a_100020603323_100000766143 [0,2,0,0,0,0|0,0,2]=4 7343 B13R0.336 CCCSCCOCCCCCCO 34a_200000230433_100000766143 [0,2,0,0,0,0|0,0,2]=4 7344 B13R0.336 CCCSCCOCCCCCCO 7a_200000230433_100000766143 [0,2,0,0,0,0|0,0,2]=4 7345 B13R0.336 CCNCCCCCCCCCCO 2230a_100000066964_100000210202 [0,2,0,0,0,0|0,0,2]=4 7346 B13R0.336 CCNCCCCCCCCCCO 2230a_100015525214_100009813290 [0,2,0,0,0,0|0,0,2]=4 7347 B13R0.336 CCNCCCCCCCCCCO 34a_100000066964_100000210202 [0,2,0,0,0,0|0,0,2]=4 7348 B13R0.336 CCOCCCCCCCCCCO 34a_100121572206_100009813290 [0,2,0,0,0,0|0,0,2]=4 7349 B13R0.336 CCOCCCCCCCCCOC 34a_100009875440_200000210301 [0,2,0,0,0,0|0,0,2]=4 7350 B13R0.336 CCOCCCCCCCCCOC 7a_100009875440_200000210301 [0,2,0,0,0,0|0,0,2]=4 7351 B13R0.336 CCOCCCCCCCCCO[13CH3] 34a_100009875440_200025704644 [0,2,0,0,0,0|0,0,2]=4 7352 B13R0.336 CCOCCCCCCCCCO[13CH3] 7a_100009875440_200025704644 [0,2,0,0,0,0|0,0,2]=4 7353 B13R0.336 CCOCCCNCCCCCCO 2230a_100000210961_100000766143 [0,2,0,0,0,0|0,0,2]=4 7354 B13R0.336 CCOCCCNCCCCCCO 2230a_100000686447_100012232248 [0,2,0,0,0,0|0,0,2]=4 7355 B13R0.336 CCOCCCNCCCCCCO 34a_100000210961_100000766143 [0,2,0,0,0,0|0,0,2]=4 7356 B13R0.336 CCOCCCNCCCCCCO 34a_100000686447_100012232248 [0,2,0,0,0,0|0,0,2]=4 7357 B13R0.336 CCOCCCOCCCCCCO 34a_100000757476_100000766143 [0,2,0,0,0,0|0,0,2]=4 7358 B13R0.336 CCOCCCOCCCCCCO 7a_100000757476_100000766143 [0,2,0,0,0,0|0,0,2]=4 7359 B13R0.336 CCOCCCSCCCCCCO 62a_100000766143_100012232248 [0,2,0,0,0,0|0,0,2]=4 7360 B13R0.336 CCOCCCSCCCCCCO 62a_100012232248_100000766143 [0,2,0,0,0,0|0,0,2]=4 7361 B13R0.336 CCOCCNCCCCCCCO 2230a_100011996573_100011215890 [0,2,0,0,0,0|0,0,2]=4 7362 B13R0.336 CCOCCNCCCCCCCO 2230a_102516460346_100000760002 [0,2,0,0,0,0|0,0,2]=4 7363 B13R0.336 CCOCCNCCCCCCCO 34a_100011996573_100000210147 [0,2,0,0,0,0|0,0,2]=4 7364 B13R0.336 CCOCCNCCCCCCCO 34a_102516460346_100000760002 [0,2,0,0,0,0|0,0,2]=4 7365 B13R0.336 CCOCCOCCCCCCCO 34a_100000210136_100000760002 [0,2,0,0,0,0|0,0,2]=4 7366 B13R0.336 CCOCCOCCCCCCCO 7a_100000210136_100000760002 [0,2,0,0,0,0|0,0,2]=4 7367 B13R0.336 CCOCCSCCCCCCCO 62a_100000210147_100000760002 [0,2,0,0,0,0|0,0,2]=4 7368 B13R0.336 CCOCCSCCCCCCCO 62a_100000760002_100011215890 [0,2,0,0,0,0|0,0,2]=4 7369 B13R0.336 CCOCSCCCCCCCCO 62a_100000033203_100000739092 [0,2,0,0,0,0|0,0,2]=4 7370 B13R0.336 CCOCSCCCCCCCCO 62a_100000739092_100000033203 [0,2,0,0,0,0|0,0,2]=4 7371 B13R0.336 CCSCCCCCCCCCCO 62a_100000210202_200000033068 [0,2,0,0,0,0|0,0,2]=4 7372 B13R0.336 CCSCCCCCCCCCCO 62a_100009813290_100000210202 [0,2,0,0,0,0|0,0,2]=4 7373 B13R0.336 CCSCCCOCCCCCCO 34a_100011216438_100000766143 [0,2,0,0,0,0|0,0,2]=4 7374 B13R0.336 CCSCCCOCCCCCCO 7a_100011216438_100000766143 [0,2,0,0,0,0|0,0,2]=4 7375 B13R0.336 CCSCCNCCCCCCCO 2230a_100000106463_100000760002 [0,2,0,0,0,0|0,0,2]=4 7376 B13R0.336 CCSCCNCCCCCCCO 2230a_100011996573_100000757381 [0,2,0,0,0,0|0,0,2]=4 7377 B13R0.336 CCSCCNCCCCCCCO 34a_100011996573_100000757381 [0,2,0,0,0,0|0,0,2]=4 7378 B13R0.336 CCSCCOCCCCCCCO 34a_100000212035_100000760002 [0,2,0,0,0,0|0,0,2]=4 7379 B13R0.336 CCSCCOCCCCCCCO 7a_100000212035_100000760002 [0,2,0,0,0,0|0,0,2]=4 7380 B13R0.336 CCSCCSCCCCCCCO 62a_100000757381_100000760002 [0,2,0,0,0,0|0,0,2]=4 7381 B13R0.336 CCSCCSCCCCCCCO 62a_100000760002_100000757381 [0,2,0,0,0,0|0,0,2]=4 7382 B13R0.336 CNCCCCCCCCCCCO 2230a_106832991635_100009812471 [0,2,0,0,0,0|0,0,2]=4 7383 B13R0.336 CNCCCCCCCCCCCO 34a_100102657272_100009812471 [0,2,0,0,0,0|0,0,2]=4 7384 B13R0.336 CNCCCCCCCCCCCO 7a_106832991635_100009812471 [0,2,0,0,0,0|0,0,2]=4 7385 B13R0.336 CNCCCCCOCCCCCO 34a_100000722520_100000746330 [0,2,0,0,0,0|0,0,2]=4 7386 B13R0.336 CNCCCCCOCCOCCO 34a_100000722520_100000692535 [0,2,0,0,0,0|1,0,1]=4 7387 B13R0.336 CNCCCOCCCCCCCO 34a_100000213112_100000760002 [0,2,0,0,0,0|0,0,2]=4 7388 B13R0.336 COCCCCCCCCCCCBr 34a_100009812471_200000210301 [0,2,0,0,0,0|0,0,2]=4 7389 B13R0.336 COCCCCCCCCCCCBr 7a_100009812471_200000210301 [0,2,0,0,0,0|0,0,2]=4 7390 B13R0.336 COCCCCCCCCCCCO 34a_100138415774_100009812471 [0,2,0,0,0,0|0,0,2]=4 7391 B13R0.336 COCCCCCCNCCCCO 2230a_100000750430_100011998445 [0,2,0,0,0,0|0,0,2]=4 7392 B13R0.336 COCCCCCCNCCCCO 34a_100000750430_100011998445 [0,2,0,0,0,0|0,0,2]=4 7393 B13R0.336 COCCCCCCOCC#CCO 34a_200012092642_200000047223 [0,2,0,0,0,0|0,0,2]=4 7394 B13R0.336 COCCCCCCOCC#CCO 7a_200012092642_200000047223 [0,2,0,0,0,0|0,0,2]=4 7395 B13R0.336 COCCCCCCOCCCCO 34a_200012092642_100011216708 [0,2,0,0,0,0|0,0,2]=4 7396 B13R0.336 COCCCCCCOCCCCO 7a_200012092642_100000210776 [0,2,0,0,0,0|0,0,2]=4 7397 B13R0.336 COCCCCCCSCC#CCO 62a_100011998445_200000047223 [0,2,0,0,0,0|0,0,2]=4 7398 B13R0.336 COCCCCCCSCC#CCO 62a_200000047223_100011998445 [0,2,0,0,0,0|0,0,2]=4 7399 B13R0.336 COCCCCCCSCCCCO 62a_100000210776_100011998445 [0,2,0,0,0,0|0,0,2]=4 7400 B13R0.336 COCCCCCCSCCCCO 62a_100011998445_100000210776 [0,2,0,0,0,0|0,0,2]=4 7401 B13R0.336 COCCCCCNCCCCCO 2230a_100000747528_100000746330 [0,2,0,0,0,0|0,0,2]=4 7402 B13R0.336 COCCCCCNCCCCCO 34a_100000747528_100000746330 [0,2,0,0,0,0|0,0,2]=4 7403 B13R0.336 COCCCCCNCCOCCO 2230a_100000747528_100011215305 [0,2,0,0,0,0|1,0,1]=4 7404 B13R0.336 COCCCCCNCCOCCO 34a_100000747528_100000692535 [0,2,0,0,0,0|1,0,1]=4 7405 B13R0.336 COCCCCNCCCCCCO 2230a_100000686447_100000730899 [0,2,0,0,0,0|0,0,2]=4 7406 B13R0.336 COCCCCNCCCCCCO 34a_100000686447_100000755781 [0,2,0,0,0,0|0,0,2]=4 7407 B13R0.336 COCCCCOCCCCCCO 34a_100000740925_100000766143 [0,2,0,0,0,0|0,0,2]=4 7408 B13R0.336 COCCCCSCCCCCCO 62a_100000730899_100000766143 [0,2,0,0,0,0|0,0,2]=4 7409 B13R0.336 COCCCCSCCCCCCO 62a_100000766143_100000730899 [0,2,0,0,0,0|0,0,2]=4 7410 B13R0.336 COCCCNCCCCCCCO 2230a_100011996573_100000740836 [0,2,0,0,0,0|0,0,2]=4 7411 B13R0.336 COCCCNCCCCCCCO 34a_100011996573_100000740836 [0,2,0,0,0,0|0,0,2]=4 7412 B13R0.336 COCCCNCCCCCCCO 34a_100150723488_100000760002 [0,2,0,0,0,0|0,0,2]=4 7413 B13R0.336 COCCCOCCCCCCCO 34a_100000740835_100000760002 [0,2,0,0,0,0|0,0,2]=4 7414 B13R0.336 COCCCSCCCCCCCO 62a_100000709357_100000760002 [0,2,0,0,0,0|0,0,2]=4 7415 B13R0.336 COCCCSCCCCCCCO 62a_100000760002_100000709357 [0,2,0,0,0,0|0,0,2]=4 7416 B13R0.336 COCCNCCCCCCCCO 2230a_100000209980_100000033203 [0,2,0,0,0,0|0,0,2]=4 7417 B13R0.336 COCCNCCCCCCCCO 2230a_102515433106_100011201679 [0,2,0,0,0,0|0,0,2]=4 7418 B13R0.336 COCCNCCCCCCCCO 34a_102515433106_100011201679 [0,2,0,0,0,0|0,0,2]=4 7419 B13R0.336 COCCOCCCCCCCCBr 34a_100009813846_100011201679 [0,2,0,0,0,0|1,0,1]=4 7420 B13R0.336 COCCOCCCCCCCCBr 7a_100009813846_100000233755 [0,2,0,0,0,0|1,0,1]=4 7421 B13R0.336 COCCOCCCCCCCCCl 34a_100000033203_100011201679 [0,2,0,0,0,0|1,0,1]=4 7422 B13R0.336 COCCOCCCCCCCCCl 7a_100000033203_100000233755 [0,2,0,0,0,0|1,0,1]=4 7423 B13R0.336 COCCOCCCCCCCCN 34a_102515433106_100011201679 [0,2,0,0,0,0|1,0,1]=4 7424 B13R0.336 COCCOCCCCCCCCO 34a_100000210237_100000033203 [0,2,0,0,0,0|0,0,2]=4 7425 B13R0.336 COCCSCCCCCCCCO 62a_100000033203_100000233755 [0,2,0,0,0,0|0,0,2]=4 7426 B13R0.336 COCCSCCCCCCCCO 62a_100000233755_100000033203 [0,2,0,0,0,0|0,0,2]=4 7427 B13R0.336 COCNCCCCCCCCCO 2230a_100000078944_100000766300 [0,2,0,0,0,0|0,0,2]=4 7428 B13R0.336 COCSCCCCCCCCCO 62a_100000766300_100009813782 [0,2,0,0,0,0|0,0,2]=4 7429 B13R0.336 COCSCCCCCCCCCO 62a_100009813782_100000766300 [0,2,0,0,0,0|0,0,2]=4 7430 B13R0.336 CSCCCCCCCCCCCO 62a_100009812471_200000210301 [0,2,0,0,0,0|0,0,2]=4 7431 B13R0.336 CSCCCCOCCCCCCO 34a_100011217163_100000766143 [0,2,0,0,0,0|0,0,2]=4 7432 B13R0.336 CSCCCCOCCCCCCO 7a_100011217163_100000766143 [0,2,0,0,0,0|0,0,2]=4 7433 B13R0.336 CSCCCNCCCCCCCO 2230a_100000749238_100000760002 [0,2,0,0,0,0|0,0,2]=4 7434 B13R0.336 CSCCCOCCCCCCCO 34a_100000690336_100000760002 [0,2,0,0,0,0|0,0,2]=4 7435 B13R0.336 CSCCCOCCCCCCCO 7a_100000690336_100000760002 [0,2,0,0,0,0|0,0,2]=4 7436 B13R0.336 CSCCNCCCCCCCCO 2230a_100020590264_100000033203 [0,2,0,0,0,0|0,0,2]=4 7437 B13R0.336 CSCCNCCCCCCCCO 2230a_102515433106_100000751147 [0,2,0,0,0,0|0,0,2]=4 7438 B13R0.336 CSCCNCCCCCCCCO 34a_102515433106_100000212216 [0,2,0,0,0,0|0,0,2]=4 7439 B13R0.336 CSCCOCCCCCCCCO 34a_100000230434_100000033203 [0,2,0,0,0,0|0,0,2]=4 7440 B13R0.336 CSCCOCCCCCCCCO 7a_100000230434_100000033203 [0,2,0,0,0,0|0,0,2]=4 7441 B13R0.336 CSCCSCCCCCCCCO 62a_100000033203_100000751147 [0,2,0,0,0,0|0,0,2]=4 7442 B13R0.336 CSCCSCCCCCCCCO 62a_100000212216_100000033203 [0,2,0,0,0,0|0,0,2]=4 7443 B13R0.336 CSCNCCCCCCCCCO 2230a_100000078944_100011218213 [0,2,0,0,0,0|0,0,2]=4 7444 B13R0.336 CSCNCCCCCCCCCO 34a_100000078944_100011218213 [0,2,0,0,0,0|0,0,2]=4 7445 B13R0.336 CSCSCCCCCCCCCO 62a_100009813782_100011218213 [0,2,0,0,0,0|0,0,2]=4 7446 B13R0.336 CSCSCCCCCCCCCO 62a_100011218213_100009813782 [0,2,0,0,0,0|0,0,2]=4 7447 B13R0.336 NCCCCCCCCCOCCO 34a_100000078944_100000211926 [0,2,0,0,0,0|0,0,2]=4 7448 B13R0.336 NCCCCCCCCOCCCO 34a_102515433106_100000230001 [0,2,0,0,0,0|0,0,2]=4 7449 B13R0.336 NCCCCCCCOCC#CCO 34a_100011996573_200000047223 [0,2,0,0,0,0|0,0,2]=4 7450 B13R0.336 NCCCCCCCOCCCCO 34a_100011996573_100011216708 [0,2,0,0,0,0|0,0,2]=4 7451 B13R0.336 NCCCCCCOCCCCCO 34a_100000686447_100000746330 [0,2,0,0,0,0|0,0,2]=4 7452 B13R0.336 NCCCCCCOCCOCCO 34a_100000686447_100000692535 [0,2,0,0,0,0|1,0,1]=4 7453 B13R0.336 NCCCCCOCCCCCCO 34a_100000762737_100000766143 [0,2,0,0,0,0|0,0,2]=4 7454 B13R0.336 NCCCCOCCCCCCCO 34a_100000750430_100000760002 [0,2,0,0,0,0|0,0,2]=4 7455 B13R0.336 NCCCOCCCCCCCCO 34a_100000182051_100000033203 [0,2,0,0,0,0|0,0,2]=4 7456 B13R0.336 NCCOCCCCCCCCCO 34a_100000210304_100009813782 [0,2,0,0,0,0|0,0,2]=4 7457 B13R0.336 NOCCOCCCCCCCCO 34a_100000700252_100000033203 [0,2,0,0,0,0|1,0,1]=4 7458 B13R0.336 OCC#CCNCCCCCCCO 2230a_100011996573_200000047223 [0,2,0,0,0,0|0,0,2]=4 7459 B13R0.336 OCC#CCNCCCCCCCO 34a_100011996573_200000047223 [0,2,0,0,0,0|0,0,2]=4 7460 B13R0.336 OCC#CCOCCCCCCCBr 34a_100000760002_200000047223 [0,2,0,0,0,0|0,0,2]=4 7461 B13R0.336 OCC#CCOCCCCCCCBr 7a_100000760002_200000047223 [0,2,0,0,0,0|0,0,2]=4 7462 B13R0.336 OCC#CCSCCCCCCCO 62a_100000760002_200000047223 [0,2,0,0,0,0|0,0,2]=4 7463 B13R0.336 OCC#CCSCCCCCCCO 62a_200000047223_100000760002 [0,2,0,0,0,0|0,0,2]=4 7464 B13R0.336 OCCCCCCCCCCNCF 34a_100000066964_100015361967 [0,2,0,0,0,0|0,0,2]=4 7465 B13R0.336 OCCCCCCCCCCSCF 62a_100009813290_100015361967 [0,2,0,0,0,0|0,0,2]=4 7466 B13R0.336 OCCCCCCCCCCSCF 62a_100015361967_200000033068 [0,2,0,0,0,0|0,0,2]=4 7467 B13R0.336 OCCCCCCCCCNCCF 2230a_100000078944_100011217306 [0,2,0,0,0,0|0,0,2]=4 7468 B13R0.336 OCCCCCCCCCNCCF 34a_100000078944_100011217306 [0,2,0,0,0,0|0,0,2]=4 7469 B13R0.336 OCCCCCCCCCNCCF 34a_100000724931_100009813782 [0,2,0,0,0,0|0,0,2]=4 7470 B13R0.336 OCCCCCCCCCNCCO 2230a_100000078944_100000211926 [0,2,0,0,0,0|0,0,2]=4 7471 B13R0.336 OCCCCCCCCCNCCO 2230a_100016997473_100009813782 [0,2,0,0,0,0|0,0,2]=4 7472 B13R0.336 OCCCCCCCCCNCCO 34a_100000078944_100000211926 [0,2,0,0,0,0|0,0,2]=4 7473 B13R0.336 OCCCCCCCCCNCCO 34a_100016990907_100009813782 [0,2,0,0,0,0|0,0,2]=4 7474 B13R0.336 OCCCCCCCCCOCCBr 34a_100000211926_100009813782 [0,2,0,0,0,0|0,0,2]=4 7475 B13R0.336 OCCCCCCCCCSCCF 62a_100009813782_100011217306 [0,2,0,0,0,0|0,0,2]=4 7476 B13R0.336 OCCCCCCCCCSCCF 62a_100011217306_100009813782 [0,2,0,0,0,0|0,0,2]=4 7477 B13R0.336 OCCCCCCCCCSCCO 62a_100000211926_100009813782 [0,2,0,0,0,0|0,0,2]=4 7478 B13R0.336 OCCCCCCCCCSCCO 62a_100009813782_100000211926 [0,2,0,0,0,0|0,0,2]=4 7479 B13R0.336 OCCCCCCCCNCCCF 2230a_100015189416_100000033203 [0,2,0,0,0,0|0,0,2]=4 7480 B13R0.336 OCCCCCCCCNCCCF 2230a_102515433106_100011934791 [0,2,0,0,0,0|0,0,2]=4 7481 B13R0.336 OCCCCCCCCNCCCF 34a_100015189416_100000033203 [0,2,0,0,0,0|0,0,2]=4 7482 B13R0.336 OCCCCCCCCNCCCF 34a_102515433106_100011934791 [0,2,0,0,0,0|0,0,2]=4 7483 B13R0.336 OCCCCCCCCNCCCO 2230a_102515433106_100000230001 [0,2,0,0,0,0|0,0,2]=4 7484 B13R0.336 OCCCCCCCCNCCCO 34a_102515433106_100000230001 [0,2,0,0,0,0|0,0,2]=4 7485 B13R0.336 OCCCCCCCCOCCCBr 34a_100011217188_100000033203 [0,2,0,0,0,0|0,0,2]=4 7486 B13R0.336 OCCCCCCCCOCCCCl 34a_100000230001_100000033203 [0,2,0,0,0,0|0,0,2]=4 7487 B13R0.336 OCCCCCCCCOCCCF 34a_100000759539_100000033203 [0,2,0,0,0,0|0,0,2]=4 7488 B13R0.336 OCCCCCCCCSCCCF 62a_100000033203_100011934791 [0,2,0,0,0,0|0,0,2]=4 7489 B13R0.336 OCCCCCCCCSCCCF 62a_100011934791_100000033203 [0,2,0,0,0,0|0,0,2]=4 7490 B13R0.336 OCCCCCCCCSCCCO 62a_100000033203_100011215043 [0,2,0,0,0,0|0,0,2]=4 7491 B13R0.336 OCCCCCCCCSCCCO 62a_100011215043_100000033203 [0,2,0,0,0,0|0,0,2]=4 7492 B13R0.336 OCCCCCCCNCCCCF 2230a_100011996573_100000729493 [0,2,0,0,0,0|0,0,2]=4 7493 B13R0.336 OCCCCCCCNCCCCF 34a_100011996573_100000729493 [0,2,0,0,0,0|0,0,2]=4 7494 B13R0.336 OCCCCCCCNCCCCO 2230a_100000750430_100000760002 [0,2,0,0,0,0|0,0,2]=4 7495 B13R0.336 OCCCCCCCNCCCCO 2230a_100011996573_100000210776 [0,2,0,0,0,0|0,0,2]=4 7496 B13R0.336 OCCCCCCCNCCCCO 34a_100000750430_100000760002 [0,2,0,0,0,0|0,0,2]=4 7497 B13R0.336 OCCCCCCCNCCCCO 34a_100011996573_100011216708 [0,2,0,0,0,0|0,0,2]=4 7498 B13R0.336 OCCCCCCCOCCCCBr 34a_100011216708_100000760002 [0,2,0,0,0,0|0,0,2]=4 7499 B13R0.336 OCCCCCCCOCCCCCl 34a_100000210776_100000760002 [0,2,0,0,0,0|0,0,2]=4 7500 B13R0.336 OCCCCCCCOCCCCCl 7a_100000210776_100000760002 [0,2,0,0,0,0|0,0,2]=4 7501 B13R0.336 OCCCCCCCOCCCCF 34a_100011995726_100000760002 [0,2,0,0,0,0|0,0,2]=4 7502 B13R0.336 OCCCCCCCOCCCCF 7a_100011995726_100000760002 [0,2,0,0,0,0|0,0,2]=4 7503 B13R0.336 OCCCCCCCOCCCCI 34a_200012148704_100000760002 [0,2,0,0,0,0|0,0,2]=4 7504 B13R0.336 OCCCCCCCSCCCCF 62a_100000729493_100000760002 [0,2,0,0,0,0|0,0,2]=4 7505 B13R0.336 OCCCCCCCSCCCCF 62a_100000760002_100000729493 [0,2,0,0,0,0|0,0,2]=4 7506 B13R0.336 OCCCCCCCSCCCCO 62a_100000210776_100000760002 [0,2,0,0,0,0|0,0,2]=4 7507 B13R0.336 OCCCCCCCSCCCCO 62a_100000760002_100000210776 [0,2,0,0,0,0|0,0,2]=4 7508 B13R0.336 OCCCCCCNCCCCCF 2230a_100000686447_100000729378 [0,2,0,0,0,0|0,0,2]=4 7509 B13R0.336 OCCCCCCNCCCCCF 34a_100000686447_100000729378 [0,2,0,0,0,0|0,0,2]=4 7510 B13R0.336 OCCCCCCNCCCCCO 2230a_100000686447_100000746330 [0,2,0,0,0,0|0,0,2]=4 7511 B13R0.336 OCCCCCCNCCCCCO 2230a_100000762737_100000766143 [0,2,0,0,0,0|0,0,2]=4 7512 B13R0.336 OCCCCCCNCCCCCO 34a_100000686447_100000746330 [0,2,0,0,0,0|0,0,2]=4 7513 B13R0.336 OCCCCCCNCCCCCO 34a_100000762737_100000766143 [0,2,0,0,0,0|0,0,2]=4 7514 B13R0.336 OCCCCCCNCCOCCO 2230a_100000211614_100000766143 [0,2,0,0,0,0|1,0,1]=4 7515 B13R0.336 OCCCCCCNCCOCCO 2230a_100000686447_100011215305 [0,2,0,0,0,0|1,0,1]=4 7516 B13R0.336 OCCCCCCNCCOCCO 34a_100000211614_100000766143 [0,2,0,0,0,0|1,0,1]=4 7517 B13R0.336 OCCCCCCNCCOCCO 34a_100000686447_100000692535 [0,2,0,0,0,0|1,0,1]=4 7518 B13R0.336 OCCCCCCNCCSCCO 2230a_100011219999_100000766143 [0,2,0,0,0,0|1,0,1]=4 7519 B13R0.336 OCCCCCCOCCCCCBr 34a_100000746331_100000766143 [0,2,0,0,0,0|0,0,2]=4 7520 B13R0.336 OCCCCCCOCCCCCBr 7a_100000746331_100000766143 [0,2,0,0,0,0|0,0,2]=4 7521 B13R0.336 OCCCCCCOCCCCCCl 34a_100000746330_100000766143 [0,2,0,0,0,0|0,0,2]=4 7522 B13R0.336 OCCCCCCOCCCCCCl 7a_100000746330_100000766143 [0,2,0,0,0,0|0,0,2]=4 7523 B13R0.336 OCCCCCCOCCCCCI 34a_200012148887_100000766143 [0,2,0,0,0,0|0,0,2]=4 7524 B13R0.336 OCCCCCCOCCCCCI 7a_200012148887_100000766143 [0,2,0,0,0,0|0,0,2]=4 7525 B13R0.336 OCCCCCCSCCCCCF 62a_100000729378_100000766143 [0,2,0,0,0,0|0,0,2]=4 7526 B13R0.336 OCCCCCCSCCCCCF 62a_100000766143_100000729378 [0,2,0,0,0,0|0,0,2]=4 7527 B13R0.336 OCCCCCCSCCCCCO 62a_100000746330_100000766143 [0,2,0,0,0,0|0,0,2]=4 7528 B13R0.336 OCCCCCCSCCCCCO 62a_100000766143_100000746330 [0,2,0,0,0,0|0,0,2]=4 7529 B13R0.336 OCCCCCCSCCOCCO 62a_100000766143_100011215305 [0,2,0,0,0,0|1,0,1]=4 7530 B13R0.336 OCCCCCCSCCOCCO 62a_100011215305_100000766143 [0,2,0,0,0,0|1,0,1]=4 7531 B13R0.336 OCCCCCNCCCCCCF 2230a_100000762737_100015922095 [0,2,0,0,0,0|0,0,2]=4 7532 B13R0.336 OCCCCCNCCCCCCF 34a_100000762737_100015922095 [0,2,0,0,0,0|0,0,2]=4 7533 B13R0.336 OCCCCCOCCCCCCBr 34a_100011215345_100000746330 [0,2,0,0,0,0|0,0,2]=4 7534 B13R0.336 OCCCCCOCCCCCCBr 7a_100011215345_100000746330 [0,2,0,0,0,0|0,0,2]=4 7535 B13R0.336 OCCCCCOCCCCCCCl 34a_100000766143_100000746330 [0,2,0,0,0,0|0,0,2]=4 7536 B13R0.336 OCCCCCOCCCCCCCl 7a_100000766143_100000746330 [0,2,0,0,0,0|0,0,2]=4 7537 B13R0.336 OCCCCCOCCCCCCF 34a_100000732779_100000746330 [0,2,0,0,0,0|0,0,2]=4 7538 B13R0.336 OCCCCCOCCCCCCF 7a_100000732779_100000746330 [0,2,0,0,0,0|0,0,2]=4 7539 B13R0.336 OCCCCCSCCCCCCF 62a_100000746330_100015922095 [0,2,0,0,0,0|0,0,2]=4 7540 B13R0.336 OCCCCCSCCCCCCF 62a_100015922095_100000746330 [0,2,0,0,0,0|0,0,2]=4 7541 B13R0.336 OCCCCOCCCCCCCBr 34a_100000760002_100011216708 [0,2,0,0,0,0|0,0,2]=4 7542 B13R0.336 OCCCCOCCCCCCCBr 7a_100000760002_100000210776 [0,2,0,0,0,0|0,0,2]=4 7543 B13R0.336 OCCCOCCCCCCCCBr 34a_100009813846_100000230001 [0,2,0,0,0,0|0,0,2]=4 7544 B13R0.336 OCCCOCCCCCCCCBr 7a_100009813846_100011215043 [0,2,0,0,0,0|0,0,2]=4 7545 B13R0.336 OCCCOCCCCCCCCCl 34a_100000033203_100000230001 [0,2,0,0,0,0|0,0,2]=4 7546 B13R0.336 OCCCOCCCCCCCCCl 7a_100000033203_100011215043 [0,2,0,0,0,0|0,0,2]=4 7547 B13R0.336 OCCOCCCCCCCCCBr 34a_100009813782_100000211926 [0,2,0,0,0,0|0,0,2]=4 7548 B13R0.336 OCCOCCCCCCCCCBr 7a_100009813782_100000211926 [0,2,0,0,0,0|0,0,2]=4 7549 B13R0.336 OCCOCCCCCCCCCCl 34a_100009868337_100000211926 [0,2,0,0,0,0|0,0,2]=4 7550 B13R0.336 OCCOCCCCCCCCCCl 7a_100009868337_100000211926 [0,2,0,0,0,0|0,0,2]=4 7551 B13R0.336 OCCOCCNCCCCCCF 2230a_100000211614_100015922095 [0,2,0,0,0,0|1,0,1]=4 7552 B13R0.336 OCCOCCNCCCCCCF 34a_100000211614_100015922095 [0,2,0,0,0,0|1,0,1]=4 7553 B13R0.336 OCCOCCOCCCCCCBr 34a_100011215345_100000692535 [0,2,0,0,0,0|1,0,1]=4 7554 B13R0.336 OCCOCCOCCCCCCBr 7a_100011215345_100011215305 [0,2,0,0,0,0|1,0,1]=4 7555 B13R0.336 OCCOCCOCCCCCCCl 34a_100000766143_100000692535 [0,2,0,0,0,0|1,0,1]=4 7556 B13R0.336 OCCOCCOCCCCCCCl 7a_100000766143_100011215305 [0,2,0,0,0,0|1,0,1]=4 7557 B13R0.336 OCCOCCOCCCCCCF 34a_100000732779_100000692535 [0,2,0,0,0,0|1,0,1]=4 7558 B13R0.336 OCCOCCOCCCCCCF 7a_100000732779_100011215305 [0,2,0,0,0,0|1,0,1]=4 7559 B13R0.336 OCCOCCSCCCCCCF 62a_100011215305_100015922095 [0,2,0,0,0,0|1,0,1]=4 7560 B13R0.336 OCCOCCSCCCCCCF 62a_100015922095_100011215305 [0,2,0,0,0,0|1,0,1]=4 7561 B13R0.336 OCCSCCNCCCCCCF 2230a_100011219999_100015922095 [0,2,0,0,0,0|1,0,1]=4 7562 B13R0.336 [13CH3]OCCCCCCCCCCCBr 34a_100009812471_200025704644 [0,2,0,0,0,0|0,0,2]=4 7563 B13R0.336 [13CH3]OCCCCCCCCCCCBr 7a_100009812471_200025704644 [0,2,0,0,0,0|0,0,2]=4 7564 B13R0.336 [13CH3]SCCCCCCCCCCCO 62a_100009812471_200025704644 [0,2,0,0,0,0|0,0,2]=4 7565 B13R0.338 CC/C=C/CC(=O)CCCCCCC 1458a_100016274230_100000210614 [0,2,0,0,0,0|1,0,0]=3 7566 B13R0.338 CC/C=C/CC(=O)CCCCCCF 1458a_100016274230_100015922095 [0,2,0,0,0,0|1,0,1]=4 7567 B13R0.338 CC/C=C/CC(=O)CCCCCCO 1458a_100016274230_100000766143 [0,2,0,0,0,0|1,0,1]=4 7568 B13R0.338 CC/C=C/CC(=O)CCOCCCC 1458a_100016274230_100000743108 [0,2,0,0,0,0|1,0,1]=4 7569 B13R0.338 CC/C=C/CC(=O)NCCCCCC 11a_100000210581_100016274230 [0,2,0,0,0,0|1,0,1]=4 7570 B13R0.338 CC/C=C/CC(=O)NCCCCCC 1626a_100000210581_100016274230 [0,2,0,0,0,0|1,0,1]=4 7571 B13R0.338 CC/C=C/CC(=O)NCCCCCC 240690a_100000210581_100016274230 [0,2,0,0,0,0|1,0,1]=4 7572 B13R0.338 CC/C=C/CC(=O)NCCCCCC 527a_100000210581_100016274230 [0,2,0,0,0,0|1,0,1]=4 7573 B13R0.338 CC/C=C\CC(=O)CCCCCCC 1458a_100000211969_100103147603 [0,2,0,0,0,0|1,0,0]=3 7574 B13R0.338 CC/C=C\CC(=O)CCCCCCO 1458a_100011996774_100103147603 [0,2,0,0,0,0|1,0,1]=4 7575 B13R0.338 CC/C=C\CC(=O)CCCCCOC 1458a_100011935119_100103147603 [0,2,0,0,0,0|1,0,1]=4 7576 B13R0.338 CC/C=C\CCNC(C)CCCCC 2230a_100000211957_100015370543 [0,2,0,0,0,0|1,0,0]=3 7577 B13R0.338 CC/C=C\CCOC(C)CCCCC 34a_100011215632_100015370543 [0,2,0,0,0,0|1,0,0]=3 7578 B13R0.338 CC/C=C\CCOC(C)CCCCC 34a_100016288707_200011218191 [0,2,0,0,0,0|1,0,0]=3 7579 B13R0.338 CC/C=C\CCOC(C)CCCCC 7a_100011215632_100015370543 [0,2,0,0,0,0|1,0,0]=3 7580 B13R0.338 CC/C=C\CCOC(C)CCCCC 7a_100016288707_200011218191 [0,2,0,0,0,0|1,0,0]=3 7581 B13R0.338 CC/C=C\CCOC(C)CCCOC 34a_200011539412_100015370543 [0,2,0,0,0,0|2,0,0]=4 7582 B13R0.338 CC/C=C\CCOC(C)CCCOC 7a_200011539412_100015370543 [0,2,0,0,0,0|2,0,0]=4 7583 B13R0.338 CC/C=C\CN(C)CCCCCCC 2230a_100000228206_100103147603 [0,2,0,0,0,0|1,0,0]=3 7584 B13R0.338 CC/C=C\CN(C)CCCCCCC 269982a_100000228206_100103147603 [0,2,0,0,0,0|1,0,0]=3 7585 B13R0.338 CC/C=C\COCC(=O)CCCCC 34a_100016268518_200012276598 [0,2,0,0,0,0|1,0,1]=4 7586 B13R0.338 CC/C=C\COC[C@@H](N)CCCCN 34a_100016993712_100103147603 [0,2,0,0,0,0|2,0,0]=4 7587 B13R0.338 CC/C=C\CSCC(=O)CCCCC 62a_100103147603_200012276598 [0,2,0,0,0,0|1,0,1]=4 7588 B13R0.338 CC/C=C\CSCC(=O)CCCCC 62a_200012276598_100103147603 [0,2,0,0,0,0|1,0,1]=4 7589 B13R0.338 CCC/C=C/COC(C)CCCCC 34a_100016278788_200011218191 [0,2,0,0,0,0|2,0,0]=4 7590 B13R0.338 CCC/C=C/COC(C)CCCCC 7a_100016278788_200011218191 [0,2,0,0,0,0|2,0,0]=4 7591 B13R0.338 CCCC=CC(=O)CCCCCCC 1458a_100000212230_100000210614 [0,2,0,0,0,0|1,0,1]=4 7592 B13R0.338 CCCCCC(=O)CCCCCCO 1458a_100000212188_100000766143 [0,2,0,0,0,0|0,0,2]=4 7593 B13R0.338 CCCCCC(=O)CCCCCCO 1458a_100011996774_100000210326 [0,2,0,0,0,0|0,0,2]=4 7594 B13R0.338 CCCCCC(C)NCCCCCO 2230a_100000211957_100000746330 [0,2,0,0,0,0|0,0,2]=4 7595 B13R0.338 CCCCCC(C)NCCCCCO 2230a_100000762737_200011218191 [0,2,0,0,0,0|0,0,2]=4 7596 B13R0.338 CCCCCC(C)NCCCCCO 270004a_100000762737_100000211708 [0,2,0,0,0,0|0,0,2]=4 7597 B13R0.338 CCCCCC(C)NCCCCCO 34a_100000762737_200011218191 [0,2,0,0,0,0|0,0,2]=4 7598 B13R0.338 CCCCCC(C)NCCOCCO 2230a_100000211614_200011218191 [0,2,0,0,0,0|1,0,1]=4 7599 B13R0.338 CCCCCC(C)NCCOCCO 2230a_100000211957_100011215305 [0,2,0,0,0,0|1,0,1]=4 7600 B13R0.338 CCCCCC(C)NCCOCCO 270004a_100000211614_100000211708 [0,2,0,0,0,0|1,0,1]=4 7601 B13R0.338 CCCCCC(C)NCCOCCO 34a_100000211614_200011218191 [0,2,0,0,0,0|1,0,1]=4 7602 B13R0.338 CCCCCC(C)NCCSCCO 2230a_100011219999_200011218191 [0,2,0,0,0,0|1,0,1]=4 7603 B13R0.338 CCCCCC(C)NCCSCCO 270004a_100011219999_100000211708 [0,2,0,0,0,0|1,0,1]=4 7604 B13R0.338 CCCCCC(C)OCCCCCO 34a_100011215632_100000746330 [0,2,0,0,0,0|0,0,2]=4 7605 B13R0.338 CCCCCC(C)OCCCCCO 7a_100011215632_100000746330 [0,2,0,0,0,0|0,0,2]=4 7606 B13R0.338 CCCCCC(C)OCCOCCO 34a_100011215632_100000692535 [0,2,0,0,0,0|1,0,1]=4 7607 B13R0.338 CCCCCC(C)OCCOCCO 7a_100011215632_100011215305 [0,2,0,0,0,0|1,0,1]=4 7608 B13R0.338 CCCCCC(C)SCCCCCO 62a_100000746330_200011218191 [0,2,0,0,0,0|0,0,2]=4 7609 B13R0.338 CCCCCC(C)SCCCCCO 62a_200011218191_100000746330 [0,2,0,0,0,0|0,0,2]=4 7610 B13R0.338 CCCCCC(C)SCCOCCO 62a_100011215305_200011218191 [0,2,0,0,0,0|1,0,1]=4 7611 B13R0.338 CCCCCC(C)SCCOCCO 62a_200011218191_100011215305 [0,2,0,0,0,0|1,0,1]=4 7612 B13R0.338 CCCCCCCC(=O)C=CCOC 1458a_100016285016_100000210614 [0,2,0,0,0,0|0,0,1]=3 7613 B13R0.338 CCCCCCCC(=O)C=COCC 1458a_100016266692_100000210614 [0,2,0,0,0,0|1,0,1]=4 7614 B13R0.338 CCCCCCCC(=O)CC#CCO 1458a_100000211969_200000047223 [0,2,0,0,0,0|0,0,2]=4 7615 B13R0.338 CCCCCCCC(=O)CCCCO 1458a_100000211969_100000210776 [0,2,0,0,0,0|0,0,2]=4 7616 B13R0.338 CCCCCCCC(=O)CCCCO 1458a_100000695505_100000210614 [0,2,0,0,0,0|0,0,2]=4 7617 B13R0.338 CCCCCCCC(=O)COCCO 1458a_100000708028_100000210614 [0,2,0,0,0,0|1,0,1]=4 7618 B13R0.338 CCCCCCCC(C)NCCCO 270004a_100000182051_100000210596 [0,2,0,0,0,0|0,0,2]=4 7619 B13R0.338 CCCCCCCC(C)NCCOC 2230a_100000209980_200011218727 [0,2,0,0,0,0|1,0,1]=4 7620 B13R0.338 CCCCCCCC(C)NCCOC 270004a_100000209980_100000210596 [0,2,0,0,0,0|1,0,1]=4 7621 B13R0.338 CCCCCCCC(C)OCCCO 34a_200011215852_100000230001 [0,2,0,0,0,0|0,0,2]=4 7622 B13R0.338 CCCCCCCC(C)OCCCO 7a_200011215852_100011215043 [0,2,0,0,0,0|0,0,2]=4 7623 B13R0.338 CCCCCCCC(C)OCCOC 34a_100000210237_200011218727 [0,2,0,0,0,0|1,0,1]=4 7624 B13R0.338 CCCCCCCC(C)OCCOC 34a_200011215852_100011201679 [0,2,0,0,0,0|1,0,1]=4 7625 B13R0.338 CCCCCCCC(C)OCCOC 7a_200011215852_100000233755 [0,2,0,0,0,0|1,0,1]=4 7626 B13R0.338 CCCCCCCC(C)OCCON 34a_100000700252_200011218727 [0,2,0,0,0,0|1,0,1]=4 7627 B13R0.338 CCCCCCCC(C)SCCCO 62a_100011215043_200011218727 [0,2,0,0,0,0|0,0,2]=4 7628 B13R0.338 CCCCCCCC(C)SCCCO 62a_200011218727_100011215043 [0,2,0,0,0,0|0,0,2]=4 7629 B13R0.338 CCCCCCCC(C)SCCOC 62a_100000233755_200011218727 [0,2,0,0,0,0|1,0,1]=4 7630 B13R0.338 CCCCCCCC(C)SCCOC 62a_200011218727_100000233755 [0,2,0,0,0,0|1,0,1]=4 7631 B13R0.338 CCCCCCCN(C)CC#CCO 2230a_100000228206_200000047223 [0,2,0,0,0,0|0,0,2]=4 7632 B13R0.338 CCCCCCCN(C)CCCCO 2230a_100000228206_100000210776 [0,2,0,0,0,0|0,0,2]=4 7633 B13R0.338 CCCCCCCN(C)CCCCO 2230a_100000717598_100000210681 [0,2,0,0,0,0|0,0,2]=4 7634 B13R0.338 CCCCCCCN(C)CCCCO 269982a_100000228206_100000210776 [0,2,0,0,0,0|0,0,2]=4 7635 B13R0.338 CCCCCCCN(C)CCCCO 269982a_100000717598_100000210681 [0,2,0,0,0,0|0,0,2]=4 7636 B13R0.338 CCCCCCNC(=O)C=CCOC 11a_100000210581_100016285016 [0,2,0,0,0,0|1,0,1]=4 7637 B13R0.338 CCCCCCNC(=O)C=CCOC 1626a_100000210581_100016285016 [0,2,0,0,0,0|1,0,1]=4 7638 B13R0.338 CCCCCCNC(=O)C=CCOC 240690a_100000210581_100016285016 [0,2,0,0,0,0|1,0,1]=4 7639 B13R0.338 CCCCCN(C)CCCCCCO 2230a_100000223495_100000766143 [0,2,0,0,0,0|0,0,2]=4 7640 B13R0.338 CCCCCN(C)CCCCCCO 269982a_100000223495_100000766143 [0,2,0,0,0,0|0,0,2]=4 7641 B13R0.338 CCCCOCCC(=O)C=CCOC 1458a_100016285016_100000743108 [0,2,0,0,0,0|1,0,1]=4 7642 B13R0.338 COCC=CC(=O)CCCCCCF 1458a_100016285016_100015922095 [0,2,0,0,0,0|1,0,1]=4 7643 B13R0.338 COCC=CC(=O)CCCCCCO 1458a_100016285016_100000766143 [0,2,0,0,0,0|1,0,1]=4 7644 B13R0.1 CC(C)CCCC(C)CCNCCO 2230a_100016997473_100009816328 [0,2,0,0,0,0|1,0,1]=4 7645 B13R0.1 CC(C)CCCC(C)CCNCCO 2230a_102516457229_100000211926 [0,2,0,0,0,0|1,0,1]=4 7646 B13R0.1 CC(C)CCCC(C)CCNCCO 34a_100016990907_100009816328 [0,2,0,0,0,0|1,0,1]=4 7647 B13R0.1 CC(C)CCCC(C)CCOCCO 34a_100000015991_100000211926 [0,2,0,0,0,0|1,0,1]=4 7648 B13R0.1 CC(C)CCCC(C)CCOCCO 7a_100000015991_100000211926 [0,2,0,0,0,0|1,0,1]=4 7649 B13R0.1 CC(C)CCCC(C)CCSCCO 62a_100000211926_100009816328 [0,2,0,0,0,0|1,0,1]=4 7650 B13R0.1 CC(C)CCCC(C)CCSCCO 62a_100009816328_100000211926 [0,2,0,0,0,0|1,0,1]=4 7651 B13R0.1 CC/C=C\CCC(=O)CCCC(C)C 1458a_100011216857_100015370543 [0,2,0,0,0,0|1,0,1]=4 7652 B13R0.1 CC/C=C\CNC(C)CCCC(C)C 2230a_100000210607_100103147603 [0,2,0,0,0,0|2,0,0]=4 7653 B13R0.1 CC/C=C\COC(C)CCCC(C)C 34a_200011218570_100103147603 [0,2,0,0,0,0|2,0,0]=4 7654 B13R0.1 CC/C=C\COC(C)CCCC(C)C 7a_200011218570_100103147603 [0,2,0,0,0,0|2,0,0]=4 7655 B13R0.1 CCCCCCC(=O)C/C=C/B(O)O 1458a_100102632555_100016262062 [0,2,0,0,0,0|1,0,1]=4 7656 B13R0.1 CCCCCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210757 [0,2,0,0,0,0|1,0,1]=4 7657 B13R0.1 CCCCCCN(C)C/C=C/B(O)O 2230a_106256046315_100016262062 [0,2,0,0,0,0|2,0,0]=4 7658 B13R0.1 CCCCCCN(C)C/C=C/B(O)O 269982a_106256046315_100016262062 [0,2,0,0,0,0|2,0,0]=4 7659 B13R0.188 CC/C=C/CC(=O)CCCCC(C)C 1458a_100016274230_100011216152 [0,2,0,0,0,0|1,0,1]=4 7660 B13R0.188 CC/C=C\CC(=O)CCCCC(C)C 1458a_100011933920_100103147603 [0,2,0,0,0,0|1,0,1]=4 7661 B13R0.188 CCCCCC(C)NC/C=C/B(O)O 2230a_100000211957_100016262062 [0,2,0,0,0,0|2,0,0]=4 7662 B13R0.188 CCCCCC(C)OC/C=C/B(O)O 34a_100011215632_100016262062 [0,2,0,0,0,0|2,0,0]=4 7663 B13R0.188 CCCCCC(C)OC/C=C/B(O)O 7a_100011215632_100016262062 [0,2,0,0,0,0|2,0,0]=4 7664 B13R0.188 CCCCCC(C)SC/C=C/B(O)O 62a_100016262062_200011218191 [0,2,0,0,0,0|2,0,0]=4 7665 B13R0.188 CCCCCC(C)SC/C=C/B(O)O 62a_200011218191_100016262062 [0,2,0,0,0,0|2,0,0]=4 7666 B13R0.278 C#CC(CCCCC)OC/C=C\CC 34a_100011216489_100103147603 [0,2,0,0,0,0|2,0,0]=4 7667 B13R0.278 C#CC(CCCCC)OC/C=C\CC 7a_100011216489_100103147603 [0,2,0,0,0,0|2,0,0]=4 7668 B13R0.278 C=CC(CCCCC)OC/C=C\CC 34a_100011216863_100103147603 [0,2,0,0,0,0|2,0,0]=4 7669 B13R0.278 C=CC(CCCCC)OC/C=C\CC 7a_100011216863_100103147603 [0,2,0,0,0,0|2,0,0]=4 7670 B13R0.278 CC/C=C\COC(CC)CCCCC 34a_100011215405_100103147603 [0,2,0,0,0,0|2,0,0]=4 7671 B13R0.278 CC/C=C\COC(CC)CCCCC 7a_100011215405_100103147603 [0,2,0,0,0,0|2,0,0]=4 7672 B13R0.398 CC/C=C/CC(=O)C(C)CCCCC 1458a_100016274230_200011218191 [0,2,0,0,0,0|1,0,1]=4 7673 B13R0.398 CC/C=C\CC(=O)C(C)CCCCC 1458a_100011215998_100103147603 [0,2,0,0,0,0|1,0,1]=4 7674 B13R0.1170 CC/C=C\CCC(=O)CCC(C)CC 1458a_100000701222_100015370543 [0,2,0,0,0,0|1,0,1]=4 7675 B13R0.1170 CC/C=C\COC(C)CCC(C)CC 7a_200011216552_100103147603 [0,2,0,0,0,0|2,0,0]=4 7676 B13R0.1171 CC/C=C\CCC(=O)C(C)CCCC 1458a_100000725509_100015370543 [0,2,0,0,0,0|1,0,1]=4 7677 B13R0.1171 CC/C=C\CCC(=O)C(O)CCCC 1458a_100000720857_100015370543 [0,2,0,0,0,0|1,0,1]=4 7678 B13R0.1171 CCC=CC(=O)C(C)CCCCCC 1458a_100000212282_100011215978 [0,2,0,0,0,0|1,0,1]=4 7679 B13R0.119 CCC=CC(=O)CCCCCC(C)C 1458a_100000212282_100000210682 [0,2,0,0,0,0|1,0,1]=4 7680 B13R0.119 CCCCC(C)COC/C=C/B(O)O 34a_100011995851_100016262062 [0,2,0,0,0,0|2,0,0]=4 7681 B13R0.119 CCCCC(C)COC/C=C/B(O)O 7a_100011995851_100016262062 [0,2,0,0,0,0|2,0,0]=4 7682 B13R0.119 CCCCN(C)CCC/C=C/B(O)O 2230a_100000207549_200016261450 [0,2,0,0,0,0|2,0,0]=4 7683 B13R0.119 CCCCN(C)CCC/C=C/B(O)O 269982a_100000207549_200016261450 [0,2,0,0,0,0|2,0,0]=4 7684 B13R0.119 CCCC[C@H](N)COC/C=C/B(O)O 34a_100011934283_100016262062 [0,2,0,0,0,0|2,0,0]=4 7685 B13R0.154 CC/C=C\CCNC(C)CCC(C)C 2230a_100138410893_100015370543 [0,2,0,0,0,0|2,0,0]=4 7686 B13R0.154 CC/C=C\CCOC(C)CCC(C)C 34a_100011215350_100015370543 [0,2,0,0,0,0|2,0,0]=4 7687 B13R0.154 CC/C=C\CCOC(C)CCC(C)C 34a_100016288707_100011261404 [0,2,0,0,0,0|2,0,0]=4 7688 B13R0.154 CC/C=C\CCOC(C)CCC(C)C 7a_100011215350_100015370543 [0,2,0,0,0,0|2,0,0]=4 7689 B13R0.154 CC/C=C\CCSC(C)CCC(C)C 62a_100011261404_100015370543 [0,2,0,0,0,0|2,0,0]=4 7690 B13R0.154 CC/C=C\CCSC(C)CCC(C)C 62a_100015370543_100011261404 [0,2,0,0,0,0|2,0,0]=4 7691 B13R0.154 CCCCCCCC(=O)C=CC(C)C 1458a_100016268746_100000210614 [0,2,0,0,0,0|1,0,1]=4 7692 B13R0.154 CCCCCCCC(C)NCC(C)O 2230a_100000210904_200011218727 [0,2,0,0,0,0|1,0,1]=4 7693 B13R0.154 CCCCCCCC(C)NCC(C)O 270004a_100000210904_100000210596 [0,2,0,0,0,0|1,0,1]=4 7694 B13R0.154 CCCCCCCC(C)NCC(C)O 34a_100000210904_200011218727 [0,2,0,0,0,0|1,0,1]=4 7695 B13R0.154 CCCCCCCC(C)OCC(C)O 34a_200011215852_100011218427 [0,2,0,0,0,0|1,0,1]=4 7696 B13R0.154 CCCCCCCC(C)OCC(C)O 7a_200011215852_100011218427 [0,2,0,0,0,0|1,0,1]=4 7697 B13R0.154 CCCCCCCC(C)OC[C@@H](C)O 34a_200011215852_100009817552 [0,2,0,0,0,0|1,0,1]=4 7698 B13R0.154 CCCCCCCC(C)OC[C@@H](C)O 7a_200011215852_100009817552 [0,2,0,0,0,0|1,0,1]=4 7699 B13R0.154 CCCCCCCC(C)SCC(C)O 62a_100011218427_200011218727 [0,2,0,0,0,0|1,0,1]=4 7700 B13R0.154 CCCCCCCC(C)SCC(C)O 62a_200011218727_100011218427 [0,2,0,0,0,0|1,0,1]=4 7701 B13R0.154 CCCCCCCC(C)SC[C@@H](C)O 62a_100009817552_200011218727 [0,2,0,0,0,0|1,0,1]=4 7702 B13R0.154 CCCCCCCC(C)SC[C@@H](C)O 62a_200011218727_100009817552 [0,2,0,0,0,0|1,0,1]=4 7703 B13R0.272 C#CC(CCCC)OCC/C=C\CC 34a_200011217967_100015370543 [0,2,0,0,0,0|2,0,0]=4 7704 B13R0.272 C#CC(CCCC)OCC/C=C\CC 7a_200011217967_100015370543 [0,2,0,0,0,0|2,0,0]=4 7705 B13R0.272 C=CC(CCCC)OCC/C=C\CC 34a_200011215037_100015370543 [0,2,0,0,0,0|2,0,0]=4 7706 B13R0.272 C=CC(CCCC)OCC/C=C\CC 7a_200011215037_100015370543 [0,2,0,0,0,0|2,0,0]=4 7707 B13R0.272 C=CC(CCCCCCC)OCCO 34a_200011934235_100000211926 [0,2,0,0,0,0|1,0,1]=4 7708 B13R0.272 C=CC(CCCCCCC)OCCO 7a_200011934235_100000211926 [0,2,0,0,0,0|1,0,1]=4 7709 B13R0.272 CC/C=C\CCN[C@H](CO)CCCC 2230a_100011934283_100015370543 [0,2,0,0,0,0|2,0,0]=4 7710 B13R0.272 CC/C=C\CCN[C@H](CO)CCCC 34a_100011934283_100015370543 [0,2,0,0,0,0|2,0,0]=4 7711 B13R0.272 CC/C=C\CCOC(CC)CCCC 34a_100011215227_100015370543 [0,2,0,0,0,0|2,0,0]=4 7712 B13R0.272 CC/C=C\CCOC(CC)CCCC 34a_100016288707_200011216223 [0,2,0,0,0,0|2,0,0]=4 7713 B13R0.272 CC/C=C\CCOC(CC)CCCC 7a_100011215227_100015370543 [0,2,0,0,0,0|2,0,0]=4 7714 B13R0.272 CC/C=C\CCOC(CC)CCCC 7a_100016288707_200011216223 [0,2,0,0,0,0|2,0,0]=4 7715 B13R0.272 CC/C=C\CNCC(CC)CCCC 2230a_100000209976_100103147603 [0,2,0,0,0,0|2,0,0]=4 7716 B13R0.272 CC/C=C\COCC(CC)CCCC 34a_100000210273_100103147603 [0,2,0,0,0,0|2,0,0]=4 7717 B13R0.272 CC/C=C\COCC(CC)CCCC 34a_100016268518_100000211942 [0,2,0,0,0,0|2,0,0]=4 7718 B13R0.272 CC/C=C\COCC(CC)CCCC 7a_100000210273_100103147603 [0,2,0,0,0,0|2,0,0]=4 7719 B13R0.272 CC/C=C\CSCC(CC)CCCC 62a_100000211942_100103147603 [0,2,0,0,0,0|2,0,0]=4 7720 B13R0.272 CC/C=C\CSCC(CC)CCCC 62a_100103147603_100000211942 [0,2,0,0,0,0|2,0,0]=4 7721 B13R0.272 CCCCCCCC(CC)NCCO 270004a_100000210304_200011217162 [0,2,0,0,0,0|1,0,1]=4 7722 B13R0.272 CCCCCCCC(CC)OCCO 34a_200011217053_100000211926 [0,2,0,0,0,0|1,0,1]=4 7723 B13R0.272 CCCCCCCC(CC)OCCO 7a_200011217053_100000211926 [0,2,0,0,0,0|1,0,1]=4 7724 B13R0.274 CC/C=C\CCNC(C)CC(C)CC 2230a_100000763565_100015370543 [0,2,0,0,0,0|2,0,0]=4 7725 B13R0.274 CCCCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210614 [0,2,0,0,0,0|1,0,1]=4 7726 B13R0.274 CCCCCCCC(C)N[C@H](C)CO 2230a_100000737577_200011218727 [0,2,0,0,0,0|1,0,1]=4 7727 B13R0.274 CCCCCCCC(C)N[C@H](C)CO 270004a_100000737577_100000210596 [0,2,0,0,0,0|1,0,1]=4 7728 B13R0.274 CCCCCCCC(C)OC(C)CO 34a_200011215852_100012180447 [0,2,0,0,0,0|1,0,1]=4 7729 B13R0.274 CCCCCCCC(C)OC(C)CO 7a_200011215852_100012180447 [0,2,0,0,0,0|1,0,1]=4 7730 B13R0.274 CCCCCCCC(C)SC(C)CO 62a_100012180447_200011218727 [0,2,0,0,0,0|1,0,1]=4 7731 B13R0.274 CCCCCCCC(C)S[C@H](C)CO 62a_100016084084_200011218727 [0,2,0,0,0,0|1,0,1]=4 7732 B13R0.274 CCCCCCCC(C)S[C@H](C)CO 62a_200011218727_100016084084 [0,2,0,0,0,0|1,0,1]=4 7733 B13R0.274 CCCCCCCC(O)CC(=O)CC 1458a_200011667753_100000210202 [0,2,0,0,0,0|1,0,1]=4 7734 B13R0.274 CCCCCCCC(O)CC(=O)CF 1458a_200011667753_100015361967 [0,2,0,0,0,0|1,0,1]=4 7735 B13R0.689 CC/C=C\CCOC(C)(C)CCCC 7a_100011219641_100015370543 [0,2,0,0,0,0|2,0,0]=4 7736 B13R0.689 CC/C=C\COCC(C)(C)CCCC 7a_200011995781_100103147603 [0,2,0,0,0,0|2,0,0]=4 7737 B13R0.689 CCCCCCCC(C)(C)NCCO 34a_100016990907_200000046972 [0,2,0,0,0,0|1,0,1]=4 7738 B13R0.689 CCCCCCCC(C)(C)SCCO 62a_100000211926_200000046972 [0,2,0,0,0,0|1,0,1]=4 7739 B13R0.689 CCCCCCCC(C)(C)SCCO 62a_200000046972_100000211926 [0,2,0,0,0,0|1,0,1]=4 7740 B13R0.150 CC/C=C\CCOCCC(N)C(C)C 34a_100161115045_100015370543 [0,2,0,0,0,0|2,0,0]=4 7741 B13R0.150 CCCCCCCC=CC(=O)C(C)C 1458a_200015332781_100000210206 [0,2,0,0,0,0|1,0,1]=4 7742 B13R0.150 CCCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210670 [0,2,0,0,0,0|1,0,1]=4 7743 B13R0.150 CCCCCCCCCC(=O)C(C)C 1458a_100000210558_100000210206 [0,2,0,0,0,0|1,0,1]=4 7744 B13R0.150 CCCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210670 [0,2,0,0,0,0|1,0,1]=4 7745 B13R0.150 CCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210670 [0,2,0,0,0,0|0,0,1]=3 7746 B13R0.150 CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210670 [0,2,0,0,0,0|0,0,1]=3 7747 B13R0.150 CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210670 [0,2,0,0,0,0|0,0,1]=3 7748 B13R0.150 CCCCCCCCNC(=O)C(C)C 11a_100000229939_100000210198 [0,2,0,0,0,0|2,0,0]=4 7749 B13R0.150 CCCCCCCCNC(=O)C(C)C 1626a_100000229939_100000210198 [0,2,0,0,0,0|2,0,0]=4 7750 B13R0.150 CCCCCCCCNC(=O)C(C)C 240690a_100000229939_100000210198 [0,2,0,0,0,0|2,0,0]=4 7751 B13R0.150 CCCCCCCCNC(=O)C(C)C 527a_100000229939_100000210198 [0,2,0,0,0,0|2,0,0]=4 7752 B13R0.150 CCCCCCCCNC(=O)C(C)F 11a_100000229939_100000062450 [0,2,0,0,0,0|2,0,0]=4 7753 B13R0.150 CCCCCCCCNC(=O)C(C)F 1626a_100000229939_100000062450 [0,2,0,0,0,0|2,0,0]=4 7754 B13R0.150 CCCCCCCCNC(=O)C(C)F 240690a_100000229939_100000062450 [0,2,0,0,0,0|2,0,0]=4 7755 B13R0.150 CCCCCCCCNC(=O)C(C)F 527a_100000229939_100000062450 [0,2,0,0,0,0|2,0,0]=4 7756 B13R0.150 CCCCCCCCNC(=O)C(F)F 11a_100000229939_100000210393 [0,2,0,0,0,0|2,0,0]=4 7757 B13R0.150 CCCCCCCCNC(=O)C(F)F 1626a_100000229939_100000210393 [0,2,0,0,0,0|2,0,0]=4 7758 B13R0.150 CCCCCCCCNC(=O)C(F)F 240690a_100000229939_100000210393 [0,2,0,0,0,0|2,0,0]=4 7759 B13R0.150 CCCCCCCCNC(=O)C(F)F 527a_100000229939_100000210393 [0,2,0,0,0,0|2,0,0]=4 7760 B13R0.150 CCCCCCCCNC(=O)C(O)O 240690a_100000229939_100000233687 [0,2,0,0,0,0|1,0,0]=3 7761 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)O 240690a_100000229939_100000717761 [0,2,0,0,0,0|1,0,0]=3 7762 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O 1626a_100000229939_217856618621 [0,2,0,0,0,0|1,0,0]=3 7763 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O 240690a_100000229939_217856618621 [0,2,0,0,0,0|1,0,0]=3 7764 B13R0.150 CCCCOCCCNC(=O)C(O)O 240690a_200000211371_100000233687 [0,2,0,0,0,0|2,0,0]=4 7765 B13R0.150 CCCCOCCCNC(=O)[C@@H](C)O 240690a_200000211371_100000717761 [0,2,0,0,0,0|2,0,0]=4 7766 B13R0.150 CCCCOCCCNC(=O)[C@H](C)O 1626a_200000211371_217856618621 [0,2,0,0,0,0|2,0,0]=4 7767 B13R0.150 CCCCOCCCNC(=O)[C@H](C)O 240690a_200000211371_217856618621 [0,2,0,0,0,0|2,0,0]=4 7768 B13R0.150 C[C@@H](O)C(=O)CCCCCCCCO 1458a_100000717761_100000033203 [0,2,0,0,0,0|1,0,1]=4 7769 B13R0.150 C[C@@H](O)C(=O)NCCCCCCCO 240690a_100011996573_100000717761 [0,2,0,0,0,0|2,0,0]=4 7770 B13R0.150 C[C@H](O)C(=O)CCCCCCCCO 1458a_217856618621_100000033203 [0,2,0,0,0,0|1,0,1]=4 7771 B13R0.150 C[C@H](O)C(=O)NCCCCCCCO 240690a_100011996573_217856618621 [0,2,0,0,0,0|2,0,0]=4 7772 B13R0.150 O=C(CCCCCCCCO)C(O)O 1458a_100000233687_100000033203 [0,2,0,0,0,0|1,0,1]=4 7773 B13R0.150 O=C(NCCCCCCCO)C(O)O 240690a_100011996573_100000233687 [0,2,0,0,0,0|2,0,0]=4 7774 B13R0.179 CC(Br)CCOCCC/C=C/B(O)O 34a_100009893172_200016261450 [0,2,0,0,0,0|2,0,0]=4 7775 B13R0.179 CC(C)CCCCCCNCC(C)O 2230a_100000211014_100011218427 [0,2,0,0,0,0|1,0,1]=4 7776 B13R0.179 CC(C)CCCCCCNCC(C)O 34a_100000211014_100011218427 [0,2,0,0,0,0|1,0,1]=4 7777 B13R0.179 CC(C)CCCCCCNC[C@@H](C)O 2230a_100000211014_100009817552 [0,2,0,0,0,0|1,0,1]=4 7778 B13R0.179 CC(C)CCCCCCNC[C@@H](C)O 34a_100000211014_100009817552 [0,2,0,0,0,0|1,0,1]=4 7779 B13R0.179 CC(C)CCCCOC/C=C/B(O)O 34a_100011214890_100016262062 [0,2,0,0,0,0|2,0,0]=4 7780 B13R0.179 CC(C)CCCCOC/C=C/B(O)O 7a_100011214890_100016262062 [0,2,0,0,0,0|2,0,0]=4 7781 B13R0.179 CC(C)CCCCSC/C=C/B(O)O 62a_100011216152_100016262062 [0,2,0,0,0,0|2,0,0]=4 7782 B13R0.179 CC(C)CCCCSC/C=C/B(O)O 62a_100016262062_100011216152 [0,2,0,0,0,0|2,0,0]=4 7783 B13R0.179 CC(C)CCOCCC/C=C/B(O)O 34a_100000210254_200016261450 [0,2,0,0,0,0|2,0,0]=4 7784 B13R0.179 CC(C)CCOCCC/C=C/B(O)O 7a_100000210254_200016261450 [0,2,0,0,0,0|2,0,0]=4 7785 B13R0.179 CC(C)CCSCCC/C=C/B(O)O 62a_100000210312_200016261450 [0,2,0,0,0,0|2,0,0]=4 7786 B13R0.179 CC(C)CCSCCC/C=C/B(O)O 62a_200016261450_100000210312 [0,2,0,0,0,0|2,0,0]=4 7787 B13R0.179 CC(O)CCNCCC/C=C/B(O)O 2230a_200000755665_200016261450 [0,2,0,0,0,0|2,0,0]=4 7788 B13R0.179 CC(O)CCSCCC/C=C/B(O)O 62a_100012276601_200016261450 [0,2,0,0,0,0|2,0,0]=4 7789 B13R0.179 CC(O)CCSCCC/C=C/B(O)O 62a_200016261450_100012276601 [0,2,0,0,0,0|2,0,0]=4 7790 B13R0.179 C[C@@H](N)CCOCCC/C=C/B(O)O 34a_100000706166_200016261450 [0,2,0,0,0,0|2,0,0]=4 7791 B13R0.202 CC(C)CCCCCCNC(=O)CO 240690a_100000211014_100000210174 [0,2,0,0,0,0|1,0,0]=3 7792 B13R0.202 CC(C)CCCCCCNC(=O)CO 527a_100000211014_100000210174 [0,2,0,0,0,0|1,0,0]=3 7793 B13R0.202 CC(C)CCCCCCNC(C)CO 2230a_100000211014_100012180447 [0,2,0,0,0,0|1,0,1]=4 7794 B13R0.202 CC(C)CCCCCCNC(C)CO 34a_100000211014_100012180447 [0,2,0,0,0,0|1,0,1]=4 7795 B13R0.202 CCC(=O)NCCCCCCC(C)C 11a_100000211014_100000210414 [0,2,0,0,0,0|2,0,0]=4 7796 B13R0.202 CCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000210414 [0,2,0,0,0,0|2,0,0]=4 7797 B13R0.202 CCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000210414 [0,2,0,0,0,0|2,0,0]=4 7798 B13R0.202 CCC(=O)NCCCCCCC(C)C 527a_100000211014_100000210414 [0,2,0,0,0,0|2,0,0]=4 7799 B13R0.202 CCC(C)CCCCCOCC(C)O 7a_200000035636_100011218427 [0,2,0,0,0,0|1,0,1]=4 7800 B13R0.202 CCC(C)CCCCCOC[C@@H](C)O 7a_200000035636_100009817552 [0,2,0,0,0,0|1,0,1]=4 7801 B13R0.202 CCC(C)CCCOC/C=C/B(O)O 7a_100011216074_100016262062 [0,2,0,0,0,0|2,0,0]=4 7802 B13R0.202 CCC(C)CNCCC/C=C/B(O)O 2230a_100020588543_200016261450 [0,2,0,0,0,0|2,0,0]=4 7803 B13R0.202 CCC(C)CSCCC/C=C/B(O)O 62a_100000748023_200016261450 [0,2,0,0,0,0|2,0,0]=4 7804 B13R0.202 CCC(C)CSCCC/C=C/B(O)O 62a_200016261450_100000748023 [0,2,0,0,0,0|2,0,0]=4 7805 B13R0.202 CCC(O)CNCCC/C=C/B(O)O 2230a_100011218483_200016261450 [0,2,0,0,0,0|2,0,0]=4 7806 B13R0.202 CCC(O)CSCCC/C=C/B(O)O 62a_100011218378_200016261450 [0,2,0,0,0,0|2,0,0]=4 7807 B13R0.202 CCC(O)CSCCC/C=C/B(O)O 62a_200016261450_100011218378 [0,2,0,0,0,0|2,0,0]=4 7808 B13R0.202 CC[C@H](C)COCCC/C=C/B(O)O 7a_100009816381_200016261450 [0,2,0,0,0,0|2,0,0]=4 7809 B13R0.202 CC[C@H](C)CSCCC/C=C/B(O)O 62a_100009816398_200016261450 [0,2,0,0,0,0|2,0,0]=4 7810 B13R0.202 CC[C@H](C)CSCCC/C=C/B(O)O 62a_200016261450_100009816398 [0,2,0,0,0,0|2,0,0]=4 7811 B13R0.202 CN(C)CCCCCCNC(=O)CO 240690a_200011233508_100000210174 [0,2,0,0,0,0|2,0,0]=4 7812 B13R0.280 CC/C=C/CCCOCCC(C)(C)C 34a_100016287902_100000755188 [0,2,0,0,0,0|2,0,0]=4 7813 B13R0.280 CC/C=C/CCCOCCC(C)(C)C 7a_100016287902_100000755188 [0,2,0,0,0,0|2,0,0]=4 7814 B13R0.280 CC/C=C/CCCOCCC(C)(C)O 34a_100016287902_100000702414 [0,2,0,0,0,0|2,0,0]=4 7815 B13R0.280 CC/C=C/CCCOCCC(C)(C)O 7a_100016287902_100000702414 [0,2,0,0,0,0|2,0,0]=4 7816 B13R0.280 CC/C=C\CCCCCOC(C)(C)C 34a_100016268722_100000210625 [0,2,0,0,0,0|2,0,0]=4 7817 B13R0.280 CC/C=C\CCCCOCC(C)(C)C 34a_100016287862_100011219605 [0,2,0,0,0,0|2,0,0]=4 7818 B13R0.280 CC/C=C\CCCCOCC(C)(C)F 34a_100016287862_100011997219 [0,2,0,0,0,0|2,0,0]=4 7819 B13R0.280 CC/C=C\CCCCOCC(C)(C)O 34a_100016287862_100000764493 [0,2,0,0,0,0|2,0,0]=4 7820 B13R0.280 CC/C=C\CCCCOCC(C)(C)O 7a_100016287862_100000764493 [0,2,0,0,0,0|2,0,0]=4 7821 B13R0.280 CC/C=C\CCOCCCC(C)(C)O 34a_100016288707_100009888830 [0,2,0,0,0,0|2,0,0]=4 7822 B13R0.280 CC/C=C\CCOCCCC(C)(C)O 7a_100016288707_100009888830 [0,2,0,0,0,0|2,0,0]=4 7823 B13R0.280 CC/C=C\CCSCCCC(C)(C)O 62a_100009888830_100015370543 [0,2,0,0,0,0|2,0,0]=4 7824 B13R0.280 CC/C=C\CCSCCCC(C)(C)O 62a_100015370543_100009888830 [0,2,0,0,0,0|2,0,0]=4 7825 B13R0.280 CCCCCCCCNCC(C)(C)O 2230a_100000751335_100000210759 [0,2,0,0,0,0|1,0,1]=4 7826 B13R0.280 CCCCCCCCNCC(C)(C)O 34a_100000229939_100000764493 [0,2,0,0,0,0|1,0,1]=4 7827 B13R0.280 CCCCCCCCOCC(C)(C)O 34a_100000210232_100000764493 [0,2,0,0,0,0|1,0,1]=4 7828 B13R0.280 CCCCCCCCOCC(C)(C)O 7a_100000210232_100000764493 [0,2,0,0,0,0|1,0,1]=4 7829 B13R0.280 CCCCCCCCSCC(C)(C)O 62a_100000210759_100000764493 [0,2,0,0,0,0|1,0,1]=4 7830 B13R0.280 CCCCCCCCSCC(C)(C)O 62a_100000764493_100000210317 [0,2,0,0,0,0|1,0,1]=4 7831 B13R0.280 CCCCCCOCC=CC(F)(F)F 34a_100000001234_100000210314 [0,2,0,0,0,0|2,0,0]=4 7832 B13R0.201 CCC(C)CCCCCOC(C)CO 7a_200000035636_100012180447 [0,2,0,0,0,0|1,0,1]=4 7833 B13R0.412 C=C[C@@H](CO)NCCCCCCCC 2230a_100016989147_100000210759 [0,2,0,0,0,0|1,0,1]=4 7834 B13R0.412 C=C[C@@H](CO)NCCCCCCCC 34a_100016989147_100000210759 [0,2,0,0,0,0|1,0,1]=4 7835 B13R0.412 CC/C=C/CCCOCC(CC)CC 34a_100016287902_100011215472 [0,2,0,0,0,0|2,0,0]=4 7836 B13R0.412 CC/C=C/CCCOCC(CC)CC 7a_100016287902_100011215472 [0,2,0,0,0,0|2,0,0]=4 7837 B13R0.412 CC/C=C\CCCCOC(CC)CC 7a_100016287862_100000210505 [0,2,0,0,0,0|2,0,0]=4 7838 B13R0.412 CCCCCCCCNC(CO)CO 2230a_100000759517_100000210759 [0,2,0,0,0,0|1,0,1]=4 7839 B13R0.412 CCCCCCCCN[C@@H](CC)CO 2230a_100000709445_100000210759 [0,2,0,0,0,0|1,0,1]=4 7840 B13R0.1215 CC/C=C\CCCCOC(C)(C)CC 7a_100016287862_100000210677 [0,2,0,0,0,0|2,0,0]=4 7841 B13R0.1215 CCCCCCCCNC(C)(C)CO 2230a_100000210608_100000210759 [0,2,0,0,0,0|1,0,1]=4 7842 B13R0.1215 CCCCCCCCSC(F)(F)CO 62a_100000210759_100011217949 [0,2,0,0,0,0|1,0,1]=4 7843 B13R0.1215 CCCCCCCCSC(F)(F)CO 62a_100011217949_100000210317 [0,2,0,0,0,0|1,0,1]=4 7844 B11R1.4 C/C=C/CCOC1CCCC1 34a_100016278192_100000179811 [1,0,0,1,0,0|1,0,0]=3 7845 B11R1.4 C/C=C/CCOC1CCOC1 34a_100016278192_100000690089 [1,0,0,1,0,0|2,0,0]=4 7846 B11R1.4 C/C=C/CNCC1CCCC1 34a_100000737975_100102629194 [1,0,0,1,0,0|1,0,0]=3 7847 B11R1.4 C/C=C/CNCC1CCOC1 34a_100000737293_100102629194 [1,0,0,1,0,0|2,0,0]=4 7848 B11R1.4 C/C=C/CNC[C@@H]1CCCO1 34a_100020590478_100102629194 [1,0,0,1,0,0|2,0,0]=4 7849 B11R1.4 C/C=C/COCC1CCCC1 34a_100000742336_100102629194 [1,0,0,1,0,0|1,0,0]=3 7850 B11R1.4 C/C=C/COCC1CCCC1 34a_100016270725_100000740388 [1,0,0,1,0,0|1,0,0]=3 7851 B11R1.4 C/C=C/COCC1CCCC1 7a_100000742336_100102629194 [1,0,0,1,0,0|1,0,0]=3 7852 B11R1.4 C/C=C/COCC1CCCO1 34a_100000210270_100102629194 [1,0,0,1,0,0|2,0,0]=4 7853 B11R1.4 C/C=C/COCC1CCCO1 7a_100000210270_100102629194 [1,0,0,1,0,0|2,0,0]=4 7854 B11R1.4 C/C=C/COCC1CCNC1 34a_100000748654_100102629194 [1,0,0,1,0,0|2,0,0]=4 7855 B11R1.4 C/C=C/COCC1CCOC1 34a_100000740260_100102629194 [1,0,0,1,0,0|2,0,0]=4 7856 B11R1.4 C/C=C/COCC1CCOC1 34a_100016270725_100011261433 [1,0,0,1,0,0|2,0,0]=4 7857 B11R1.4 C/C=C/COC[C@H]1CCCN1 34a_100000745186_100102629194 [1,0,0,1,0,0|2,0,0]=4 7858 B11R1.4 C/C=C/CSCC1CCCC1 62a_100000740388_100102629194 [1,0,0,1,0,0|1,0,0]=3 7859 B11R1.4 C/C=C/CSCC1CCCC1 62a_100102629194_100000740388 [1,0,0,1,0,0|1,0,0]=3 7860 B11R1.4 C/C=C/CSCC1CCCO1 62a_100000203698_100102629194 [1,0,0,1,0,0|2,0,0]=4 7861 B11R1.4 C/C=C/CSCC1CCCO1 62a_100102629194_100000203698 [1,0,0,1,0,0|2,0,0]=4 7862 B11R1.4 C/C=C/CSCC1CCOC1 62a_100000702531_100102629194 [1,0,0,1,0,0|2,0,0]=4 7863 B11R1.4 C/C=C/CSCC1CCOC1 62a_100102629194_100000702531 [1,0,0,1,0,0|2,0,0]=4 7864 B11R1.4 CC/C=C\CCN1CCCC1 2230a_100000188435_100015370543 [1,0,0,1,0,0|2,0,0]=4 7865 B11R1.4 CC/C=C\CCN1CCCC1 269982a_100000188435_100015370543 [1,0,0,1,0,0|2,0,0]=4 7866 B11R1.4 CC/C=C\CNC1CCCC1 2230a_100000211070_100103147603 [1,0,0,1,0,0|2,0,0]=4 7867 B11R1.4 CC/C=C\CNC1CCCC1 34a_100000211070_100103147603 [1,0,0,1,0,0|2,0,0]=4 7868 B11R1.4 CC/C=C\COC1CCCC1 34a_100000210269_100103147603 [1,0,0,1,0,0|2,0,0]=4 7869 B11R1.4 CC/C=C\COC1CCCC1 34a_100016268518_100000179811 [1,0,0,1,0,0|2,0,0]=4 7870 B11R1.4 CC/C=C\COC1CCCC1 7a_100000210269_100103147603 [1,0,0,1,0,0|2,0,0]=4 7871 B11R1.4 CC/C=C\CSC1CCCC1 62a_100011217020_100103147603 [1,0,0,1,0,0|2,0,0]=4 7872 B11R1.4 CC/C=C\CSC1CCCC1 62a_100103147603_100000179811 [1,0,0,1,0,0|2,0,0]=4 7873 B11R1.4 CC=CCNCC1CCCC1 2230a_100000737975_100000070051 [1,0,0,1,0,0|1,0,0]=3 7874 B11R1.4 CC=CCNCC1CCCC1 34a_100000737975_100000070051 [1,0,0,1,0,0|1,0,0]=3 7875 B11R1.4 CC=CCNCC1CCOC1 2230a_100000737293_100000070051 [1,0,0,1,0,0|2,0,0]=4 7876 B11R1.4 CC=CCNCC1CCOC1 34a_100000737293_100000070051 [1,0,0,1,0,0|2,0,0]=4 7877 B11R1.4 CC=CCNC[C@@H]1CCCO1 2230a_100020590478_100000070051 [1,0,0,1,0,0|2,0,0]=4 7878 B11R1.4 CC=CCNC[C@@H]1CCCO1 34a_100020590478_100000070051 [1,0,0,1,0,0|2,0,0]=4 7879 B11R1.4 CC=CCOCC1CCCC1 34a_100000742336_100000070051 [1,0,0,1,0,0|1,0,0]=3 7880 B11R1.4 CC=CCOCC1CCCC1 7a_100000742336_100000070051 [1,0,0,1,0,0|1,0,0]=3 7881 B11R1.4 CC=CCOCC1CCCO1 34a_100000210270_100000070051 [1,0,0,1,0,0|2,0,0]=4 7882 B11R1.4 CC=CCOCC1CCCO1 7a_100000210270_100000070051 [1,0,0,1,0,0|2,0,0]=4 7883 B11R1.4 CC=CCOCC1CCNC1 34a_100000748654_100000070051 [1,0,0,1,0,0|2,0,0]=4 7884 B11R1.4 CC=CCOCC1CCOC1 34a_100000740260_100000070051 [1,0,0,1,0,0|2,0,0]=4 7885 B11R1.4 CC=CCOC[C@H]1CCCN1 34a_100000745186_100000070051 [1,0,0,1,0,0|2,0,0]=4 7886 B11R1.4 CC=CCSCC1CCCC1 62a_100000070051_100000740388 [1,0,0,1,0,0|1,0,0]=3 7887 B11R1.4 CC=CCSCC1CCCC1 62a_100000740388_100000070051 [1,0,0,1,0,0|1,0,0]=3 7888 B11R1.4 CC=CCSCC1CCCO1 62a_100000070051_100000203698 [1,0,0,1,0,0|2,0,0]=4 7889 B11R1.4 CC=CCSCC1CCCO1 62a_100000203698_100000070051 [1,0,0,1,0,0|2,0,0]=4 7890 B11R1.4 CC=CCSCC1CCOC1 62a_100000070051_100000702531 [1,0,0,1,0,0|2,0,0]=4 7891 B11R1.4 CC=CCSCC1CCOC1 62a_100000702531_100000070051 [1,0,0,1,0,0|2,0,0]=4 7892 B11R1.4 CCCCCCN1CC=CC1 269982a_100015195280_100000210757 [1,0,0,1,0,0|1,0,0]=3 7893 B11R1.4 CCCCCNC1CC=CC1 2230a_100015188752_100000210326 [1,0,0,1,0,0|1,0,0]=3 7894 B11R1.4 CCCCCOC1CCCO1 34a_100000085407_100000718602 [1,0,0,1,0,0|1,0,1]=4 7895 B11R1.4 CCCCNCC1CCCO1 2230a_100000102301_100000203698 [1,0,0,1,0,0|1,0,1]=4 7896 B11R1.4 CCCCNCC1CCCO1 7a_106832991798_100000203698 [1,0,0,1,0,0|1,0,1]=4 7897 B11R1.4 CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210211 [1,0,0,1,0,0|1,0,1]=4 7898 B11R1.4 CCCCNC[C@@H]1CCCO1 34a_100020590478_100000210210 [1,0,0,1,0,0|1,0,1]=4 7899 B11R1.4 CCCCOCC1CC=CC1 34a_100000688395_100000210210 [1,0,0,1,0,0|1,0,0]=3 7900 B11R1.4 CCCCOCC1CCCO1 34a_100000210270_100000210210 [1,0,0,1,0,0|1,0,1]=4 7901 B11R1.4 CCCCOCC1CCCO1 7a_100000210227_100000203698 [1,0,0,1,0,0|1,0,1]=4 7902 B11R1.4 CCCCOCC1CCCO1 7a_100000210270_100000210211 [1,0,0,1,0,0|1,0,1]=4 7903 B11R1.4 CCCCOCC1COCO1 34a_100011216627_100000210210 [1,0,0,1,0,0|2,0,0]=4 7904 B11R1.4 CCCCOCN1CC=CC1 269982a_100015195280_100011995733 [1,0,0,1,0,0|2,0,0]=4 7905 B11R1.4 CCCCSCC1CCCO1 62a_100000203698_100000210210 [1,0,0,1,0,0|1,0,1]=4 7906 B11R1.4 CCCCSCC1CCCO1 62a_100000210211_100000203698 [1,0,0,1,0,0|1,0,1]=4 7907 B11R1.4 CCCOCCN1CC=CC1 269982a_100015195280_100011215938 [1,0,0,1,0,0|2,0,0]=4 7908 B11R1.4 CCNCCCC1CCCC1 2230a_100000736752_100000210202 [1,0,0,1,0,0|1,0,1]=4 7909 B11R1.4 CCNCCCC1CCCC1 2230a_100015525214_100011713738 [1,0,0,1,0,0|1,0,1]=4 7910 B11R1.4 CCNCCCC1CCCC1 34a_100000736752_100000210202 [1,0,0,1,0,0|1,0,1]=4 7911 B11R1.4 CCOCCCC1CCCC1 34a_100011215328_100000210202 [1,0,0,1,0,0|1,0,1]=4 7912 B11R1.4 CCOCCCC1CCCC1 34a_100121572206_100011713738 [1,0,0,1,0,0|1,0,1]=4 7913 B11R1.4 CCOCCCC1CCCC1 7a_100011215328_100000210202 [1,0,0,1,0,0|1,0,1]=4 7914 B11R1.4 CCOCCCN1CC=CC1 269982a_100015195280_100012232248 [1,0,0,1,0,0|2,0,0]=4 7915 B11R1.4 CCOCCNC1CC=CC1 2230a_100015188752_100011215890 [1,0,0,1,0,0|2,0,0]=4 7916 B11R1.4 CCSCCCC1CCCC1 62a_100000210202_100011713738 [1,0,0,1,0,0|1,0,1]=4 7917 B11R1.4 CCSCCCC1CCCC1 62a_100011713738_100000210202 [1,0,0,1,0,0|1,0,1]=4 7918 B11R1.4 CCSCCNC1CC=CC1 2230a_100015188752_100000757381 [1,0,0,1,0,0|2,0,0]=4 7919 B11R1.4 COCCCCN1CC=CC1 269982a_100015195280_100000730899 [1,0,0,1,0,0|2,0,0]=4 7920 B11R1.4 COCCCNC1CC=CC1 2230a_100015188752_100000740836 [1,0,0,1,0,0|2,0,0]=4 7921 B11R1.4 COCCOCC1CC=CC1 34a_100000688395_100011201679 [1,0,0,1,0,0|2,0,0]=4 7922 B11R1.4 CSCCOCC1CC=CC1 34a_100000688395_100000212216 [1,0,0,1,0,0|2,0,0]=4 7923 B11R1.4 FCCCCCN1CC=CC1 269982a_100015195280_100000729378 [1,0,0,1,0,0|2,0,0]=4 7924 B11R1.4 FCCCCNC1CC=CC1 2230a_100015188752_100000729493 [1,0,0,1,0,0|2,0,0]=4 7925 B11R1.4 FCCCOCC1CC=CC1 34a_100000688395_100011934791 [1,0,0,1,0,0|2,0,0]=4 7926 B11R1.4 FCNCCCC1CCCC1 34a_100000736752_100015361967 [1,0,0,1,0,0|2,0,0]=4 7927 B11R1.4 FCOCCCC1CCCC1 34a_100011215328_100015361967 [1,0,0,1,0,0|2,0,0]=4 7928 B11R1.4 FCOCCCC1CCCC1 7a_100011215328_100015361967 [1,0,0,1,0,0|2,0,0]=4 7929 B11R1.4 FCSCCCC1CCCC1 62a_100011713738_100015361967 [1,0,0,1,0,0|2,0,0]=4 7930 B11R1.4 FCSCCCC1CCCC1 62a_100015361967_100011713738 [1,0,0,1,0,0|2,0,0]=4 7931 B11R1.4 OCCCCCN1CC=CC1 269982a_100015195280_100000746330 [1,0,0,1,0,0|2,0,0]=4 7932 B11R1.4 OCCCCCN1CCCC1 2230a_100000188435_100000746330 [1,0,0,1,0,0|1,0,1]=4 7933 B11R1.4 OCCCCCN1CCCC1 269982a_100000188435_100000746330 [1,0,0,1,0,0|1,0,1]=4 7934 B11R1.4 OCCCCNC1CC=CC1 2230a_100015188752_100000210776 [1,0,0,1,0,0|2,0,0]=4 7935 B11R1.4 OCCCCNC1CCCC1 2230a_100000211070_100000210776 [1,0,0,1,0,0|1,0,1]=4 7936 B11R1.4 OCCCCNC1CCCC1 2230a_100000750430_100000179811 [1,0,0,1,0,0|1,0,1]=4 7937 B11R1.4 OCCCCNC1CCCC1 270004a_100000750430_100000210133 [1,0,0,1,0,0|1,0,1]=4 7938 B11R1.4 OCCCCNC1CCCC1 34a_100000211070_100011216708 [1,0,0,1,0,0|1,0,1]=4 7939 B11R1.4 OCCCCNC1CCCC1 34a_100000750430_100000179811 [1,0,0,1,0,0|1,0,1]=4 7940 B11R1.4 OCCCCOC1CCCC1 34a_100000210269_100011216708 [1,0,0,1,0,0|1,0,1]=4 7941 B11R1.4 OCCCCOC1CCCC1 7a_100000210269_100000210776 [1,0,0,1,0,0|1,0,1]=4 7942 B11R1.4 OCCCCSC1CCCC1 62a_100000210776_100000179811 [1,0,0,1,0,0|1,0,1]=4 7943 B11R1.4 OCCCCSC1CCCC1 62a_100011217020_100000210776 [1,0,0,1,0,0|1,0,1]=4 7944 B11R1.4 OCCCNCC1CCCC1 2230a_100000737975_100000230001 [1,0,0,1,0,0|1,0,1]=4 7945 B11R1.4 OCCCNCC1CCCC1 269862a_100000182051_100000746403 [1,0,0,1,0,0|1,0,1]=4 7946 B11R1.4 OCCCNCC1CCCC1 34a_100000737975_100000230001 [1,0,0,1,0,0|1,0,1]=4 7947 B11R1.4 OCCCOCC1CC=CC1 34a_100000688395_100000230001 [1,0,0,1,0,0|2,0,0]=4 7948 B11R1.4 OCCCOCC1CCCC1 34a_100000742336_100000230001 [1,0,0,1,0,0|1,0,1]=4 7949 B11R1.4 OCCCOCC1CCCC1 7a_100000742336_100011215043 [1,0,0,1,0,0|1,0,1]=4 7950 B11R1.4 OCCCSCC1CCCC1 62a_100000740388_100011215043 [1,0,0,1,0,0|1,0,1]=4 7951 B11R1.4 OCCCSCC1CCCC1 62a_100011215043_100000740388 [1,0,0,1,0,0|1,0,1]=4 7952 B11R1.4 OCCNCCC1CCCC1 2230a_100000739158_100000211926 [1,0,0,1,0,0|1,0,1]=4 7953 B11R1.4 OCCNCCC1CCCC1 2230a_100016997473_100000760354 [1,0,0,1,0,0|1,0,1]=4 7954 B11R1.4 OCCNCCC1CCCC1 34a_100000739158_100000211926 [1,0,0,1,0,0|1,0,1]=4 7955 B11R1.4 OCCNCCC1CCCC1 34a_100016990907_100000760354 [1,0,0,1,0,0|1,0,1]=4 7956 B11R1.4 OCCOCCC1CCCC1 34a_100000749090_100000211926 [1,0,0,1,0,0|1,0,1]=4 7957 B11R1.4 OCCOCCC1CCCC1 7a_100000749090_100000211926 [1,0,0,1,0,0|1,0,1]=4 7958 B11R1.4 OCCSCCC1CCCC1 62a_100000211926_100000760354 [1,0,0,1,0,0|1,0,1]=4 7959 B11R1.4 OCCSCCC1CCCC1 62a_100000760354_100000211926 [1,0,0,1,0,0|1,0,1]=4 7960 B11R1.17 C/C=C/CN1CCCCC1C 269982a_100000211376_100102629194 [1,0,0,1,0,0|1,0,0]=3 7961 B11R1.17 C/C=C/CN1CCCCC1C 34a_100000211376_100102629194 [1,0,0,1,0,0|1,0,0]=3 7962 B11R1.17 C/C=C/CN1CCOC[C@@H]1C 269982a_100009815349_100102629194 [1,0,0,1,0,0|2,0,0]=4 7963 B11R1.17 C/C=C/CN1CCOC[C@@H]1C 34a_100009815349_100102629194 [1,0,0,1,0,0|2,0,0]=4 7964 B11R1.17 CC1CCCCC1NCCO 2230a_100000211402_100000211926 [1,0,0,1,0,0|1,0,1]=4 7965 B11R1.17 CC1CCCCC1NCCO 269862a_100000210304_100000210921 [1,0,0,1,0,0|1,0,1]=4 7966 B11R1.17 CC1CCCCC1NCCO 270004a_100000210304_100000210921 [1,0,0,1,0,0|1,0,1]=4 7967 B11R1.17 CC1CCCCC1NCCO 34a_100000211402_100000211926 [1,0,0,1,0,0|1,0,1]=4 7968 B11R1.17 CC1CCCCC1OCCO 34a_100000211207_100000211926 [1,0,0,1,0,0|1,0,1]=4 7969 B11R1.17 CC1CCCCC1OCCO 7a_100000211207_100000211926 [1,0,0,1,0,0|1,0,1]=4 7970 B11R1.17 CC1CCCCN1CCCO 2230a_100000211376_100000230001 [1,0,0,1,0,0|1,0,1]=4 7971 B11R1.17 CC1CCCCN1CCCO 269982a_100000211376_100011215043 [1,0,0,1,0,0|1,0,1]=4 7972 B11R1.17 CC1CCCCN1CCCO 34a_100000211376_100000230001 [1,0,0,1,0,0|1,0,1]=4 7973 B11R1.17 CC=CCN1CCCCC1C 2230a_100000211376_100000070051 [1,0,0,1,0,0|1,0,0]=3 7974 B11R1.17 CC=CCN1CCCCC1C 34a_100000211376_100000070051 [1,0,0,1,0,0|1,0,0]=3 7975 B11R1.17 CC=CCN1CCOC[C@@H]1C 2230a_100009815349_100000070051 [1,0,0,1,0,0|2,0,0]=4 7976 B11R1.17 CC=CCN1CCOC[C@@H]1C 34a_100009815349_100000070051 [1,0,0,1,0,0|2,0,0]=4 7977 B11R1.17 CCCOC1CCCCC1O 34a_100000210258_100000038908 [1,0,0,1,0,0|1,0,1]=4 7978 B11R1.17 CCCSC1CCCCC1O 62a_100000038908_100000210303 [1,0,0,1,0,0|1,0,1]=4 7979 B11R1.17 CCCSC1CCCCC1O 62a_100000210303_100000038908 [1,0,0,1,0,0|1,0,1]=4 7980 B11R1.17 CCNCC1CCCCC1O 34a_100011216029_100000210202 [1,0,0,1,0,0|1,0,1]=4 7981 B11R1.17 CN1CCCCC1CCCO 2230a_100011934581_200000210301 [1,0,0,1,0,0|1,0,1]=4 7982 B11R1.17 CN1CCCCC1CCCO 269982a_100011934581_200000210301 [1,0,0,1,0,0|1,0,1]=4 7983 B11R1.17 CN1CCCCC1CCCO 34a_100011934581_200000210301 [1,0,0,1,0,0|1,0,1]=4 7984 B11R1.17 [13CH3]N1CCCCC1CCCO 2230a_100011934581_200025704644 [1,0,0,1,0,0|1,0,1]=4 7985 B11R1.17 [13CH3]N1CCCCC1CCCO 269982a_100011934581_200025704644 [1,0,0,1,0,0|1,0,1]=4 7986 B11R1.17 [13CH3]N1CCCCC1CCCO 34a_100011934581_200025704644 [1,0,0,1,0,0|1,0,1]=4 7987 B11R1.18 C/C=C/CN1CCCC1CC 269982a_100000754278_100102629194 [1,0,0,1,0,0|1,0,0]=3 7988 B11R1.18 C/C=C/CN1CCCC1CC 34a_100000754278_100102629194 [1,0,0,1,0,0|1,0,0]=3 7989 B11R1.18 C/C=C/CN1CCC[C@@H]1CO 269982a_100000745186_100102629194 [1,0,0,1,0,0|2,0,0]=4 7990 B11R1.18 C/C=C/CN1CCC[C@@H]1CO 34a_100000745186_100102629194 [1,0,0,1,0,0|2,0,0]=4 7991 B11R1.18 CC=CCN1CCCC1CC 2230a_100000754278_100000070051 [1,0,0,1,0,0|1,0,0]=3 7992 B11R1.18 CC=CCN1CCCC1CC 34a_100000754278_100000070051 [1,0,0,1,0,0|1,0,0]=3 7993 B11R1.18 CC=CCN1CCC[C@@H]1CO 2230a_100000745186_100000070051 [1,0,0,1,0,0|2,0,0]=4 7994 B11R1.18 CC=CCN1CCC[C@@H]1CO 34a_100000745186_100000070051 [1,0,0,1,0,0|2,0,0]=4 7995 B11R1.18 CCC1CCCC1NCCO 269862a_100000210304_100000749056 [1,0,0,1,0,0|1,0,1]=4 7996 B11R1.18 CCC1CCCC1NCCO 270004a_100000210304_100000749056 [1,0,0,1,0,0|1,0,1]=4 7997 B11R1.18 CCC1CCCN1CCCO 2230a_100000754278_100000230001 [1,0,0,1,0,0|1,0,1]=4 7998 B11R1.18 CCC1CCCN1CCCO 269982a_100000754278_100011215043 [1,0,0,1,0,0|1,0,1]=4 7999 B11R1.18 CCC1CCCN1CCCO 34a_100000754278_100000230001 [1,0,0,1,0,0|1,0,1]=4 8000 B11R1.18 CCCCC1CCCC1NC 269862a_106832991636_100000750825 [1,0,0,1,0,0|1,0,1]=4 8001 B11R1.18 CCCCC1CCCC1NC 270004a_106832991635_100000750825 [1,0,0,1,0,0|1,0,1]=4 8002 B11R1.18 CCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210211 [1,0,0,1,0,0|1,0,1]=4 8003 B11R1.18 CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210211 [1,0,0,1,0,0|1,0,1]=4 8004 B11R1.18 CCCCN1CCC[C@@H]1CO 34a_100000745186_100000210210 [1,0,0,1,0,0|1,0,1]=4 8005 B11R1.28 C/C=C/CNC1CCCCC1 34a_100000182618_100102629194 [1,0,0,1,0,0|1,0,0]=3 8006 B11R1.28 C/C=C/CNC1CCCOC1 34a_100000719290_100102629194 [1,0,0,1,0,0|2,0,0]=4 8007 B11R1.28 C/C=C/CNC1CCOCC1 34a_100000741149_100102629194 [1,0,0,1,0,0|2,0,0]=4 8008 B11R1.28 C/C=C/CNC1CCSCC1 34a_100000748639_100102629194 [1,0,0,1,0,0|2,0,0]=4 8009 B11R1.28 C/C=C/COC1CCCCC1 34a_100000210231_100102629194 [1,0,0,1,0,0|1,0,0]=3 8010 B11R1.28 C/C=C/COC1CCCCC1 34a_100016270725_100000210327 [1,0,0,1,0,0|1,0,0]=3 8011 B11R1.28 C/C=C/COC1CCCCC1 7a_100000210231_100102629194 [1,0,0,1,0,0|1,0,0]=3 8012 B11R1.28 C/C=C/COC1CCCCO1 34a_100000033831_100102629194 [1,0,0,1,0,0|2,0,0]=4 8013 B11R1.28 C/C=C/COC1CCCOC1 34a_100000754041_100102629194 [1,0,0,1,0,0|2,0,0]=4 8014 B11R1.28 C/C=C/COC1CCCOC1 34a_100016270725_100000693364 [1,0,0,1,0,0|2,0,0]=4 8015 B11R1.28 C/C=C/COC1CCCSC1 7a_100015962668_100102629194 [1,0,0,1,0,0|2,0,0]=4 8016 B11R1.28 C/C=C/COC1CCOCC1 34a_100000744328_100102629194 [1,0,0,1,0,0|2,0,0]=4 8017 B11R1.28 C/C=C/COC1CCSCC1 34a_100000731022_100102629194 [1,0,0,1,0,0|2,0,0]=4 8018 B11R1.28 C/C=C/COC1CCSCC1 34a_100016270725_100000069128 [1,0,0,1,0,0|2,0,0]=4 8019 B11R1.28 C/C=C/COC1CCSCC1 7a_100000731022_100102629194 [1,0,0,1,0,0|2,0,0]=4 8020 B11R1.28 C/C=C/CSC1CCCCC1 62a_100000210327_100102629194 [1,0,0,1,0,0|1,0,0]=3 8021 B11R1.28 C/C=C/CSC1CCCCC1 62a_100102629194_100000210327 [1,0,0,1,0,0|1,0,0]=3 8022 B11R1.28 C/C=C/CSC1CCCOC1 62a_100102629194_100000693364 [1,0,0,1,0,0|2,0,0]=4 8023 B11R1.28 C/C=C/CSC1CCOCC1 62a_100102629194_100011324220 [1,0,0,1,0,0|2,0,0]=4 8024 B11R1.28 C/C=C/CSC1CCSCC1 62a_100102629194_100000069128 [1,0,0,1,0,0|2,0,0]=4 8025 B11R1.28 CC=CCNC1CCCCC1 2230a_100000182618_100000070051 [1,0,0,1,0,0|1,0,0]=3 8026 B11R1.28 CC=CCNC1CCCCC1 34a_100000182618_100000070051 [1,0,0,1,0,0|1,0,0]=3 8027 B11R1.28 CC=CCNC1CCCOC1 2230a_100000719290_100000070051 [1,0,0,1,0,0|2,0,0]=4 8028 B11R1.28 CC=CCNC1CCCOC1 34a_100000719290_100000070051 [1,0,0,1,0,0|2,0,0]=4 8029 B11R1.28 CC=CCNC1CCOCC1 2230a_100000741149_100000070051 [1,0,0,1,0,0|2,0,0]=4 8030 B11R1.28 CC=CCNC1CCOCC1 34a_100000741149_100000070051 [1,0,0,1,0,0|2,0,0]=4 8031 B11R1.28 CC=CCNC1CCSCC1 2230a_100000748639_100000070051 [1,0,0,1,0,0|2,0,0]=4 8032 B11R1.28 CC=CCNC1CCSCC1 34a_100000748639_100000070051 [1,0,0,1,0,0|2,0,0]=4 8033 B11R1.28 CC=CCOC1CCCCC1 34a_100000210231_100000070051 [1,0,0,1,0,0|1,0,0]=3 8034 B11R1.28 CC=CCOC1CCCCC1 7a_100000210231_100000070051 [1,0,0,1,0,0|1,0,0]=3 8035 B11R1.28 CC=CCOC1CCCCO1 34a_100000033831_100000070051 [1,0,0,1,0,0|2,0,0]=4 8036 B11R1.28 CC=CCOC1CCCOC1 34a_100000754041_100000070051 [1,0,0,1,0,0|2,0,0]=4 8037 B11R1.28 CC=CCOC1CCCSC1 7a_100015962668_100000070051 [1,0,0,1,0,0|2,0,0]=4 8038 B11R1.28 CC=CCOC1CCOCC1 34a_100000744328_100000070051 [1,0,0,1,0,0|2,0,0]=4 8039 B11R1.28 CC=CCOC1CCSCC1 34a_100000731022_100000070051 [1,0,0,1,0,0|2,0,0]=4 8040 B11R1.28 CC=CCOC1CCSCC1 7a_100000731022_100000070051 [1,0,0,1,0,0|2,0,0]=4 8041 B11R1.28 CC=CCSC1CCCCC1 62a_100000070051_100000210327 [1,0,0,1,0,0|1,0,0]=3 8042 B11R1.28 CC=CCSC1CCCCC1 62a_100000210327_100000070051 [1,0,0,1,0,0|1,0,0]=3 8043 B11R1.28 CC=CCSC1CCCOC1 62a_100000070051_100000693364 [1,0,0,1,0,0|2,0,0]=4 8044 B11R1.28 CC=CCSC1CCOCC1 62a_100000070051_100011324220 [1,0,0,1,0,0|2,0,0]=4 8045 B11R1.28 CC=CCSC1CCSCC1 62a_100000070051_100000069128 [1,0,0,1,0,0|2,0,0]=4 8046 B11R1.28 CC=NNCC1CCCCC1 4a_100000740227_200000210099 [1,0,0,1,0,0|2,0,0]=4 8047 B11R1.28 CCCCCN1CC=CCC1 2230a_100000698166_100000210326 [1,0,0,1,0,0|1,0,0]=3 8048 B11R1.28 CCCCCN1CC=CCC1 269982a_100000698166_100000210215 [1,0,0,1,0,0|1,0,0]=3 8049 B11R1.28 CCCCCN1CC=CCC1 34a_100000698166_100000718602 [1,0,0,1,0,0|1,0,0]=3 8050 B11R1.28 CCCCOC1CC=CCC1 34a_100000073881_100000210210 [1,0,0,1,0,0|1,0,0]=3 8051 B11R1.28 CCCCOC1CCCCO1 34a_100000033831_100000210210 [1,0,0,1,0,0|1,0,1]=4 8052 B11R1.28 CCCNCC1CC=CCC1 270004a_100020643023_100000189434 [1,0,0,1,0,0|1,0,0]=3 8053 B11R1.28 CCCNCC1CCCCO1 2230a_100000174945_100000210303 [1,0,0,1,0,0|1,0,1]=4 8054 B11R1.28 CCCNCC1CCCCO1 34a_100000174945_100000210303 [1,0,0,1,0,0|1,0,1]=4 8055 B11R1.28 CCCOCC1CC=CCC1 34a_100000210713_100000210303 [1,0,0,1,0,0|1,0,0]=3 8056 B11R1.28 CCCOCC1CCC=CO1 34a_100011217868_100000210303 [1,0,0,1,0,0|1,0,0]=3 8057 B11R1.28 CCCOCC1CCCCO1 34a_100000210258_100000211543 [1,0,0,1,0,0|1,0,1]=4 8058 B11R1.28 CCCOCC1CCCCO1 34a_100000211370_100000210303 [1,0,0,1,0,0|1,0,1]=4 8059 B11R1.28 CCCOCC1CCCCO1 7a_100000211370_100000210303 [1,0,0,1,0,0|1,0,1]=4 8060 B11R1.28 CCCSCC1CCCCO1 62a_100000210303_100000211543 [1,0,0,1,0,0|1,0,1]=4 8061 B11R1.28 CCCSCC1CCCCO1 62a_100000211543_100000210303 [1,0,0,1,0,0|1,0,1]=4 8062 B11R1.28 CCNCCC1CCCCC1 2230a_100000738074_100000210202 [1,0,0,1,0,0|1,0,1]=4 8063 B11R1.28 CCNCCC1CCCCC1 2230a_100015525214_100012355289 [1,0,0,1,0,0|1,0,1]=4 8064 B11R1.28 CCNCCC1CCCCC1 270004a_100015525214_100011713444 [1,0,0,1,0,0|1,0,1]=4 8065 B11R1.28 CCNCCC1CCCCC1 34a_100000738074_100000210202 [1,0,0,1,0,0|1,0,1]=4 8066 B11R1.28 CCNCCC1CCCCO1 2230a_100015183643_100000210202 [1,0,0,1,0,0|1,0,1]=4 8067 B11R1.28 CCNCCC1CCCCO1 34a_100015183643_100000210202 [1,0,0,1,0,0|1,0,1]=4 8068 B11R1.28 CCOCCC1CCCCC1 34a_100011217863_100000210202 [1,0,0,1,0,0|1,0,1]=4 8069 B11R1.28 CCOCCC1CCCCC1 34a_100121572206_100011209188 [1,0,0,1,0,0|1,0,1]=4 8070 B11R1.28 CCOCCC1CCCCC1 7a_100011217863_100000210202 [1,0,0,1,0,0|1,0,1]=4 8071 B11R1.28 CCOCCN1CC=CCC1 2230a_100000698166_100011215890 [1,0,0,1,0,0|2,0,0]=4 8072 B11R1.28 CCOCCN1CC=CCC1 269982a_100000698166_100011215890 [1,0,0,1,0,0|2,0,0]=4 8073 B11R1.28 CCOCCN1CC=CCC1 34a_100000698166_100000210147 [1,0,0,1,0,0|2,0,0]=4 8074 B11R1.28 CCSCCC1CCCCC1 62a_100000210202_100012355289 [1,0,0,1,0,0|1,0,1]=4 8075 B11R1.28 CCSCCC1CCCCC1 62a_100012355289_100000210202 [1,0,0,1,0,0|1,0,1]=4 8076 B11R1.28 CCSCCN1CC=CCC1 2230a_100000698166_100000757381 [1,0,0,1,0,0|2,0,0]=4 8077 B11R1.28 CCSCCN1CC=CCC1 269982a_100000698166_100000757381 [1,0,0,1,0,0|2,0,0]=4 8078 B11R1.28 CCSCCN1CC=CCC1 34a_100000698166_100000757381 [1,0,0,1,0,0|2,0,0]=4 8079 B11R1.28 CNCCCC1CCCCC1 2230a_100011211642_200000210301 [1,0,0,1,0,0|1,0,1]=4 8080 B11R1.28 CNCCCC1CCCCC1 2230a_106832991635_100011713725 [1,0,0,1,0,0|1,0,1]=4 8081 B11R1.28 CNCCCC1CCCCC1 34a_100011211642_200000210301 [1,0,0,1,0,0|1,0,1]=4 8082 B11R1.28 CNCCCC1CCCCC1 34a_100102657272_100011713725 [1,0,0,1,0,0|1,0,1]=4 8083 B11R1.28 CNCCCC1CCCCC1 7a_106832991635_100011713725 [1,0,0,1,0,0|1,0,1]=4 8084 B11R1.28 COCCCC1CCCCC1 34a_100000198086_200000210301 [1,0,0,1,0,0|1,0,1]=4 8085 B11R1.28 COCCCC1CCCCC1 34a_100138415774_100011713725 [1,0,0,1,0,0|1,0,1]=4 8086 B11R1.28 COCCCC1CCCCC1 7a_100000198086_200000210301 [1,0,0,1,0,0|1,0,1]=4 8087 B11R1.28 COCCCN1CC=CCC1 2230a_100000698166_100000740836 [1,0,0,1,0,0|2,0,0]=4 8088 B11R1.28 COCCCN1CC=CCC1 269982a_100000698166_100000740836 [1,0,0,1,0,0|2,0,0]=4 8089 B11R1.28 COCCCN1CC=CCC1 34a_100000698166_100000740836 [1,0,0,1,0,0|2,0,0]=4 8090 B11R1.28 COCCOC1CC=CCC1 34a_100000073881_100011201679 [1,0,0,1,0,0|2,0,0]=4 8091 B11R1.28 CSCCCC1CCCCC1 62a_100011713725_200000210301 [1,0,0,1,0,0|1,0,1]=4 8092 B11R1.28 CSCCCC1CCCCC1 62a_200000210301_100011713725 [1,0,0,1,0,0|1,0,1]=4 8093 B11R1.28 CSCCOC1CC=CCC1 34a_100000073881_100000212216 [1,0,0,1,0,0|2,0,0]=4 8094 B11R1.28 CSCOCC1CC=CCC1 34a_100000210713_100011218213 [1,0,0,1,0,0|2,0,0]=4 8095 B11R1.28 CSCOCC1CCC=CO1 34a_100011217868_100011218213 [1,0,0,1,0,0|2,0,0]=4 8096 B11R1.28 FCCCCN1CC=CCC1 2230a_100000698166_100000729493 [1,0,0,1,0,0|2,0,0]=4 8097 B11R1.28 FCCCCN1CC=CCC1 269982a_100000698166_100000729493 [1,0,0,1,0,0|2,0,0]=4 8098 B11R1.28 FCCCCN1CC=CCC1 34a_100000698166_100000729493 [1,0,0,1,0,0|2,0,0]=4 8099 B11R1.28 FCCCOC1CC=CCC1 34a_100000073881_100011934791 [1,0,0,1,0,0|2,0,0]=4 8100 B11R1.28 FCCOCC1CC=CCC1 34a_100000210713_100011217306 [1,0,0,1,0,0|2,0,0]=4 8101 B11R1.28 FCCOCC1CCC=CO1 34a_100011217868_100011217306 [1,0,0,1,0,0|2,0,0]=4 8102 B11R1.28 FCNCCC1CCCCC1 34a_100000738074_100015361967 [1,0,0,1,0,0|2,0,0]=4 8103 B11R1.28 FCOCCC1CCCCC1 34a_100011217863_100015361967 [1,0,0,1,0,0|2,0,0]=4 8104 B11R1.28 FCOCCC1CCCCC1 7a_100011217863_100015361967 [1,0,0,1,0,0|2,0,0]=4 8105 B11R1.28 FCSCCC1CCCCC1 62a_100012355289_100015361967 [1,0,0,1,0,0|2,0,0]=4 8106 B11R1.28 FCSCCC1CCCCC1 62a_100015361967_100012355289 [1,0,0,1,0,0|2,0,0]=4 8107 B11R1.28 OCCCCN1CC=CCC1 2230a_100000698166_100000210776 [1,0,0,1,0,0|2,0,0]=4 8108 B11R1.28 OCCCCN1CC=CCC1 269982a_100000698166_100000210776 [1,0,0,1,0,0|2,0,0]=4 8109 B11R1.28 OCCCCN1CC=CCC1 34a_100000698166_100011216708 [1,0,0,1,0,0|2,0,0]=4 8110 B11R1.28 OCCCNC1CCCCC1 2230a_100000182618_100000230001 [1,0,0,1,0,0|1,0,1]=4 8111 B11R1.28 OCCCNC1CCCCC1 270004a_100000182051_100000210434 [1,0,0,1,0,0|1,0,1]=4 8112 B11R1.28 OCCCNC1CCCCC1 34a_100000182618_100000230001 [1,0,0,1,0,0|1,0,1]=4 8113 B11R1.28 OCCCOC1CC=CCC1 34a_100000073881_100000230001 [1,0,0,1,0,0|2,0,0]=4 8114 B11R1.28 OCCCOC1CCCCC1 34a_100000210231_100000230001 [1,0,0,1,0,0|1,0,1]=4 8115 B11R1.28 OCCCOC1CCCCC1 7a_100000210231_100011215043 [1,0,0,1,0,0|1,0,1]=4 8116 B11R1.28 OCCCSC1CCCCC1 62a_100000210327_100011215043 [1,0,0,1,0,0|1,0,1]=4 8117 B11R1.28 OCCCSC1CCCCC1 62a_100011215043_100000210327 [1,0,0,1,0,0|1,0,1]=4 8118 B11R1.28 OCCNCC1CC=CCC1 270004a_100000210304_100000189434 [1,0,0,1,0,0|2,0,0]=4 8119 B11R1.28 OCCNCC1CCCCC1 2230a_100000210473_100000211926 [1,0,0,1,0,0|1,0,1]=4 8120 B11R1.28 OCCNCC1CCCCC1 2230a_100016997473_100000211423 [1,0,0,1,0,0|1,0,1]=4 8121 B11R1.28 OCCNCC1CCCCC1 269862a_100000210304_100000211278 [1,0,0,1,0,0|1,0,1]=4 8122 B11R1.28 OCCNCC1CCCCC1 34a_100000210473_100000211926 [1,0,0,1,0,0|1,0,1]=4 8123 B11R1.28 OCCNCC1CCCCC1 34a_100016990907_100000211423 [1,0,0,1,0,0|1,0,1]=4 8124 B11R1.28 OCCOCC1CC=CCC1 34a_100000210713_100000211926 [1,0,0,1,0,0|2,0,0]=4 8125 B11R1.28 OCCOCC1CCC=CO1 34a_100011217868_100000211926 [1,0,0,1,0,0|2,0,0]=4 8126 B11R1.28 OCCOCC1CCCCC1 34a_100000212181_100000211926 [1,0,0,1,0,0|1,0,1]=4 8127 B11R1.28 OCCOCC1CCCCC1 7a_100000212181_100000211926 [1,0,0,1,0,0|1,0,1]=4 8128 B11R1.28 OCCSCC1CCCCC1 62a_100000211423_100000211926 [1,0,0,1,0,0|1,0,1]=4 8129 B11R1.28 OCCSCC1CCCCC1 62a_100000211926_100000211423 [1,0,0,1,0,0|1,0,1]=4 8130 B11R1.28 [13CH3]NCCCC1CCCCC1 2230a_100011211642_200025704644 [1,0,0,1,0,0|1,0,1]=4 8131 B11R1.28 [13CH3]NCCCC1CCCCC1 34a_100011211642_200025704644 [1,0,0,1,0,0|1,0,1]=4 8132 B11R1.28 [13CH3]OCCCC1CCCCC1 34a_100000198086_200025704644 [1,0,0,1,0,0|1,0,1]=4 8133 B11R1.28 [13CH3]OCCCC1CCCCC1 7a_100000198086_200025704644 [1,0,0,1,0,0|1,0,1]=4 8134 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_100011713725_200025704644 [1,0,0,1,0,0|1,0,1]=4 8135 B11R1.28 [13CH3]SCCCC1CCCCC1 62a_200025704644_100011713725 [1,0,0,1,0,0|1,0,1]=4 8136 B11R1.41 CCC1CCCCC1OCF 34a_100000210738_100015361967 [1,0,0,1,0,0|2,0,0]=4 8137 B11R1.41 CCC1CCCCC1OCF 7a_100000210738_100015361967 [1,0,0,1,0,0|2,0,0]=4 8138 B11R1.41 CCC1CCCCN1CCO 2230a_100000210034_100000211926 [1,0,0,1,0,0|1,0,1]=4 8139 B11R1.41 CCC1CCCCN1CCO 269982a_100000210034_100000211926 [1,0,0,1,0,0|1,0,1]=4 8140 B11R1.41 CCC1CCCCN1CCO 34a_100000210034_100000211926 [1,0,0,1,0,0|1,0,1]=4 8141 B11R1.41 CCCC1CCCCC1NC 269862a_106832991636_100011218038 [1,0,0,1,0,0|1,0,1]=4 8142 B11R1.41 CCCC1CCCCC1NC 270004a_106832991635_100011218038 [1,0,0,1,0,0|1,0,1]=4 8143 B11R1.41 CCCC1CCCCC1OC 34a_100011217265_200000210301 [1,0,0,1,0,0|1,0,1]=4 8144 B11R1.41 CCCC1CCCCC1OC 7a_100011217265_200000210301 [1,0,0,1,0,0|1,0,1]=4 8145 B11R1.41 CCCC1CCCCC1O[13CH3] 34a_100011217265_200025704644 [1,0,0,1,0,0|1,0,1]=4 8146 B11R1.41 CCCC1CCCCC1O[13CH3] 7a_100011217265_200025704644 [1,0,0,1,0,0|1,0,1]=4 8147 B11R1.41 CCCC1CCCCN1CC 2230a_100000701414_100000210202 [1,0,0,1,0,0|1,0,1]=4 8148 B11R1.41 CCCC1CCCCN1CC 269982a_100000701414_100000204670 [1,0,0,1,0,0|1,0,1]=4 8149 B11R1.41 CCCC1CCCCN1CC 34a_100000701414_100000210202 [1,0,0,1,0,0|1,0,1]=4 8150 B11R1.41 CCCC1CCCCN1CF 269982a_100000701414_100015361967 [1,0,0,1,0,0|2,0,0]=4 8151 B11R1.41 CCCC1CCCCN1CF 34a_100000701414_100015361967 [1,0,0,1,0,0|2,0,0]=4 8152 B11R1.41 CCCN1CCCCC1CO 2230a_100000210821_100000210303 [1,0,0,1,0,0|1,0,1]=4 8153 B11R1.41 CCCN1CCCCC1CO 269982a_100000210821_100000210303 [1,0,0,1,0,0|1,0,1]=4 8154 B11R1.41 CCCN1CCCCC1CO 34a_100000210821_100000210303 [1,0,0,1,0,0|1,0,1]=4 8155 B11R1.41 CCN1CCCCC1CCO 2230a_100000211664_100000210202 [1,0,0,1,0,0|1,0,1]=4 8156 B11R1.41 CCN1CCCCC1CCO 269982a_100000211664_100000204670 [1,0,0,1,0,0|1,0,1]=4 8157 B11R1.41 CCN1CCCCC1CCO 34a_100000211664_100000210202 [1,0,0,1,0,0|1,0,1]=4 8158 B11R1.41 CCNC1CCCCC1CC 269862a_100015525214_100000757040 [1,0,0,1,0,0|1,0,1]=4 8159 B11R1.41 CCNC1CCCCC1CC 270004a_100015525214_100000757040 [1,0,0,1,0,0|1,0,1]=4 8160 B11R1.41 CCNC1CCCCC1CO 270004a_100015525214_100009861125 [1,0,0,1,0,0|1,0,1]=4 8161 B11R1.41 CCOC1CCCCC1CC 34a_100000210738_100000210202 [1,0,0,1,0,0|1,0,1]=4 8162 B11R1.41 CCOC1CCCCC1CC 7a_100000210738_100000210202 [1,0,0,1,0,0|1,0,1]=4 8163 B11R1.46 CC/C=C\COCC1CC1C 34a_100000744939_100103147603 [1,0,0,1,0,0|2,0,0]=4 8164 B11R1.46 CC/C=C\COCC1CC1C 7a_100000744939_100103147603 [1,0,0,1,0,0|2,0,0]=4 8165 B11R1.46 CC1CC1COCCCCO 34a_100000744939_100011216708 [1,0,0,1,0,0|1,0,1]=4 8166 B11R1.46 CC1CC1COCCCCO 7a_100000744939_100000210776 [1,0,0,1,0,0|1,0,1]=4 8167 B11R1.47 C/C=C/CCOCC1CCC1 34a_100016278192_100000763275 [1,0,0,1,0,0|1,0,0]=3 8168 B11R1.47 C/C=C/CCOCC1CCO1 34a_100016278192_100000103362 [1,0,0,1,0,0|2,0,0]=4 8169 B11R1.47 C/C=C/CCOCC1COC1 34a_100016278192_100010264016 [1,0,0,1,0,0|2,0,0]=4 8170 B11R1.47 C/C=C/COCCC1COC1 34a_100009855314_100102629194 [1,0,0,1,0,0|2,0,0]=4 8171 B11R1.47 CC/C=C\CCNC1CCC1 2230a_100000749019_100015370543 [1,0,0,1,0,0|2,0,0]=4 8172 B11R1.47 CC/C=C\CCNC1CCC1 34a_100000749019_100015370543 [1,0,0,1,0,0|2,0,0]=4 8173 B11R1.47 CC/C=C\CCOC1CCC1 34a_100000748187_100015370543 [1,0,0,1,0,0|2,0,0]=4 8174 B11R1.47 CC/C=C\CCOC1CCC1 34a_100016288707_100000749161 [1,0,0,1,0,0|2,0,0]=4 8175 B11R1.47 CC/C=C\CCSC1CCC1 62a_100015370543_100000749161 [1,0,0,1,0,0|2,0,0]=4 8176 B11R1.47 CC/C=C\CNCC1CCC1 2230a_100000738700_100103147603 [1,0,0,1,0,0|2,0,0]=4 8177 B11R1.47 CC/C=C\CNCC1CCC1 34a_100000738700_100103147603 [1,0,0,1,0,0|2,0,0]=4 8178 B11R1.47 CC/C=C\COCC1CCC1 34a_100000760304_100103147603 [1,0,0,1,0,0|2,0,0]=4 8179 B11R1.47 CC/C=C\COCC1CCC1 34a_100016268518_100000763275 [1,0,0,1,0,0|2,0,0]=4 8180 B11R1.47 CC/C=C\CSCC1CCC1 62a_100000763275_100103147603 [1,0,0,1,0,0|2,0,0]=4 8181 B11R1.47 CC/C=C\CSCC1CCC1 62a_100103147603_100000763275 [1,0,0,1,0,0|2,0,0]=4 8182 B11R1.47 CC=CCCCOC1CCC1 34a_100020645299_100000749161 [1,0,0,1,0,0|1,0,0]=3 8183 B11R1.47 CC=CCCCOC1COC1 34a_100020645299_100009818527 [1,0,0,1,0,0|2,0,0]=4 8184 B11R1.47 CC=CCOCCC1COC1 34a_100009855314_100000070051 [1,0,0,1,0,0|2,0,0]=4 8185 B11R1.47 CCCCCNCC1CCO1 2230a_100000209983_100000103362 [1,0,0,1,0,0|1,0,1]=4 8186 B11R1.47 CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210326 [1,0,0,1,0,0|1,0,1]=4 8187 B11R1.47 CCCCCNC[C@@H]1CCO1 34a_100020831831_100000718602 [1,0,0,1,0,0|1,0,1]=4 8188 B11R1.47 CCCCCOCC1CCO1 34a_100000039022_100000718602 [1,0,0,1,0,0|1,0,1]=4 8189 B11R1.47 CCCCCOCC1CCO1 34a_100000210253_100000103362 [1,0,0,1,0,0|1,0,1]=4 8190 B11R1.47 CCCCCOCC1CCO1 7a_100000210253_100000103362 [1,0,0,1,0,0|1,0,1]=4 8191 B11R1.47 CCCCCSCC1CCO1 62a_100000103362_100000210326 [1,0,0,1,0,0|1,0,1]=4 8192 B11R1.47 CCCCCSCC1CCO1 62a_100000210326_100000103362 [1,0,0,1,0,0|1,0,1]=4 8193 B11R1.47 OCCCCCCN1CCC1 269982a_100000754969_100000766143 [1,0,0,1,0,0|1,0,1]=4 8194 B11R1.47 OCCCCCNC1CCC1 2230a_100000749019_100000746330 [1,0,0,1,0,0|1,0,1]=4 8195 B11R1.47 OCCCCCNC1CCC1 270004a_100000762737_100000241760 [1,0,0,1,0,0|1,0,1]=4 8196 B11R1.47 OCCCCCNC1CCC1 34a_100000749019_100000746330 [1,0,0,1,0,0|1,0,1]=4 8197 B11R1.47 OCCCCCNC1CCC1 34a_100000762737_100000749161 [1,0,0,1,0,0|1,0,1]=4 8198 B11R1.47 OCCCCCOC1CCC1 34a_100000748187_100000746330 [1,0,0,1,0,0|1,0,1]=4 8199 B11R1.47 OCCCCCSC1CCC1 62a_100000746330_100000749161 [1,0,0,1,0,0|1,0,1]=4 8200 B11R1.47 OCCCCNCC1CCC1 2230a_100000738700_100000210776 [1,0,0,1,0,0|1,0,1]=4 8201 B11R1.47 OCCCCNCC1CCC1 2230a_100000750430_100000763275 [1,0,0,1,0,0|1,0,1]=4 8202 B11R1.47 OCCCCNCC1CCC1 269862a_100000750430_100000753134 [1,0,0,1,0,0|1,0,1]=4 8203 B11R1.47 OCCCCNCC1CCC1 34a_100000738700_100011216708 [1,0,0,1,0,0|1,0,1]=4 8204 B11R1.47 OCCCCNCC1CCC1 34a_100000750430_100000763275 [1,0,0,1,0,0|1,0,1]=4 8205 B11R1.47 OCCCCOCC1CCC1 34a_100000760304_100011216708 [1,0,0,1,0,0|1,0,1]=4 8206 B11R1.47 OCCCCSCC1CCC1 62a_100000210776_100000763275 [1,0,0,1,0,0|1,0,1]=4 8207 B11R1.47 OCCCCSCC1CCC1 62a_100000763275_100000210776 [1,0,0,1,0,0|1,0,1]=4 8208 B11R1.99 C/C=C/CCOCCC1CC1 34a_100016278192_100000694398 [1,0,0,1,0,0|1,0,0]=3 8209 B11R1.99 C/C=C/CCOCCC1CO1 34a_100016278192_100000732470 [1,0,0,1,0,0|2,0,0]=4 8210 B11R1.99 C/C=C/COCCCC1CO1 34a_100016270725_100000733510 [1,0,0,1,0,0|2,0,0]=4 8211 B11R1.99 C/C=C/COCCNC1CC1 34a_100000738766_100102629194 [1,0,0,1,0,0|2,0,0]=4 8212 B11R1.99 C/C=C/CSCCCC1CO1 62a_100000733510_100102629194 [1,0,0,1,0,0|2,0,0]=4 8213 B11R1.99 C/C=C/CSCCCC1CO1 62a_100102629194_100000733510 [1,0,0,1,0,0|2,0,0]=4 8214 B11R1.99 CC/C=C/CCCOC1CC1 34a_100016287902_100000211595 [1,0,0,1,0,0|2,0,0]=4 8215 B11R1.99 CC/C=C\CCNCC1CC1 2230a_100000735609_100015370543 [1,0,0,1,0,0|2,0,0]=4 8216 B11R1.99 CC/C=C\CCNCC1CC1 34a_100000735609_100015370543 [1,0,0,1,0,0|2,0,0]=4 8217 B11R1.99 CC/C=C\CCOCC1CC1 34a_100000211283_100015370543 [1,0,0,1,0,0|2,0,0]=4 8218 B11R1.99 CC/C=C\CCOCC1CC1 34a_100016288707_100000742324 [1,0,0,1,0,0|2,0,0]=4 8219 B11R1.99 CC/C=C\CCOCC1CC1 7a_100016288707_100000742324 [1,0,0,1,0,0|2,0,0]=4 8220 B11R1.99 CC/C=C\CCSCC1CC1 62a_100000756562_100015370543 [1,0,0,1,0,0|2,0,0]=4 8221 B11R1.99 CC/C=C\CCSCC1CC1 62a_100015370543_100000742324 [1,0,0,1,0,0|2,0,0]=4 8222 B11R1.99 CC/C=C\CNCCC1CC1 34a_100000764129_100103147603 [1,0,0,1,0,0|2,0,0]=4 8223 B11R1.99 CC/C=C\COCCC1CC1 34a_100000754188_100103147603 [1,0,0,1,0,0|2,0,0]=4 8224 B11R1.99 CC/C=C\COCCC1CC1 34a_100016268518_100000694398 [1,0,0,1,0,0|2,0,0]=4 8225 B11R1.99 CC/C=C\COCCC1CC1 7a_100000754188_100103147603 [1,0,0,1,0,0|2,0,0]=4 8226 B11R1.99 CC/C=C\CSCCC1CC1 62a_100000764125_100103147603 [1,0,0,1,0,0|2,0,0]=4 8227 B11R1.99 CC/C=C\CSCCC1CC1 62a_100103147603_100000764125 [1,0,0,1,0,0|2,0,0]=4 8228 B11R1.99 CC=CCCCOCC1CC1 34a_100020645299_100000742324 [1,0,0,1,0,0|1,0,0]=3 8229 B11R1.99 CC=CCCCOCC1CO1 34a_100020645299_102125554688 [1,0,0,1,0,0|2,0,0]=4 8230 B11R1.99 CC=CCOCCNC1CC1 34a_100000738766_100000070051 [1,0,0,1,0,0|2,0,0]=4 8231 B11R1.99 CC=CCSCCCC1CO1 62a_100000070051_100000733510 [1,0,0,1,0,0|2,0,0]=4 8232 B11R1.99 CC=CCSCCCC1CO1 62a_100000733510_100000070051 [1,0,0,1,0,0|2,0,0]=4 8233 B11R1.99 CCCCCCNCC1CO1 2230a_100000210581_100011216344 [1,0,0,1,0,0|1,0,1]=4 8234 B11R1.99 CCCCCCOCC1CO1 34a_100000210259_102125554688 [1,0,0,1,0,0|1,0,1]=4 8235 B11R1.99 CCCCCCOCC1CO1 7a_100000210259_102125554688 [1,0,0,1,0,0|1,0,1]=4 8236 B11R1.99 CCCCCCOC[C@@H]1CO1 34a_100000757423_100000210314 [1,0,0,1,0,0|1,0,1]=4 8237 B11R1.99 CCCCCCOC[C@@H]1CO1 7a_100000210259_100000745022 [1,0,0,1,0,0|1,0,1]=4 8238 B11R1.99 CCCCCCSCC1CO1 62a_100000210314_102125554688 [1,0,0,1,0,0|1,0,1]=4 8239 B11R1.99 CCCCCCSCC1CO1 62a_102125554688_100000210757 [1,0,0,1,0,0|1,0,1]=4 8240 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000210314_100000745022 [1,0,0,1,0,0|1,0,1]=4 8241 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000745022_100000210757 [1,0,0,1,0,0|1,0,1]=4 8242 B11R1.99 CCCCCNCCC1CO1 2230a_100000209983_100000732470 [1,0,0,1,0,0|1,0,1]=4 8243 B11R1.99 CCCCCOCCC1CO1 34a_100000210253_100000732470 [1,0,0,1,0,0|1,0,1]=4 8244 B11R1.99 CCCCCOCCC1CO1 7a_100000210253_100000732470 [1,0,0,1,0,0|1,0,1]=4 8245 B11R1.99 CCCCCOCC[C@@H]1CO1 34a_100009820653_100000718602 [1,0,0,1,0,0|1,0,1]=4 8246 B11R1.99 CCCCCSCCC1CO1 62a_100000210326_100000732470 [1,0,0,1,0,0|1,0,1]=4 8247 B11R1.99 CCCCCSCCC1CO1 62a_100000732470_100000210326 [1,0,0,1,0,0|1,0,1]=4 8248 B11R1.99 CCCCNCCCC1CO1 2230a_100000102301_100000733510 [1,0,0,1,0,0|1,0,1]=4 8249 B11R1.99 CCCCNCCCC1CO1 7a_106832991798_100000733510 [1,0,0,1,0,0|1,0,1]=4 8250 B11R1.99 CCCCOCCCC1CO1 34a_100000210227_100000733510 [1,0,0,1,0,0|1,0,1]=4 8251 B11R1.99 CCCCOCCCC1CO1 7a_100000210227_100000733510 [1,0,0,1,0,0|1,0,1]=4 8252 B11R1.99 CCCCSCCCC1CO1 62a_100000210211_100000733510 [1,0,0,1,0,0|1,0,1]=4 8253 B11R1.99 CCCCSCCCC1CO1 62a_100000733510_100000210210 [1,0,0,1,0,0|1,0,1]=4 8254 B11R1.99 OCCCCCCNC1CC1 34a_100000212008_100000766143 [1,0,0,1,0,0|1,0,1]=4 8255 B11R1.99 OCCCCCCNC1CC1 34a_100000686447_100000211595 [1,0,0,1,0,0|1,0,1]=4 8256 B11R1.99 OCCCCCCSC1CC1 62a_100000766143_100000211595 [1,0,0,1,0,0|1,0,1]=4 8257 B11R1.99 OCCCCCNCC1CC1 2230a_100000735609_100000746330 [1,0,0,1,0,0|1,0,1]=4 8258 B11R1.99 OCCCCCNCC1CC1 2230a_100000762737_100000742324 [1,0,0,1,0,0|1,0,1]=4 8259 B11R1.99 OCCCCCNCC1CC1 269862a_100000762737_100000741477 [1,0,0,1,0,0|1,0,1]=4 8260 B11R1.99 OCCCCCNCC1CC1 34a_100000735609_100000746330 [1,0,0,1,0,0|1,0,1]=4 8261 B11R1.99 OCCCCCNCC1CC1 34a_100000762737_100000742324 [1,0,0,1,0,0|1,0,1]=4 8262 B11R1.99 OCCCCCOCC1CC1 34a_100000211283_100000746330 [1,0,0,1,0,0|1,0,1]=4 8263 B11R1.99 OCCCCCSCC1CC1 62a_100000746330_100000742324 [1,0,0,1,0,0|1,0,1]=4 8264 B11R1.99 OCCCCCSCC1CC1 62a_100000756562_100000746330 [1,0,0,1,0,0|1,0,1]=4 8265 B11R1.99 OCCCCNCCC1CC1 2230a_100000750430_100000694398 [1,0,0,1,0,0|1,0,1]=4 8266 B11R1.99 OCCCCNCCC1CC1 34a_100000750430_100000694398 [1,0,0,1,0,0|1,0,1]=4 8267 B11R1.99 OCCCCNCCC1CC1 34a_100000764129_100011216708 [1,0,0,1,0,0|1,0,1]=4 8268 B11R1.99 OCCCCOCCC1CC1 34a_100000754188_100011216708 [1,0,0,1,0,0|1,0,1]=4 8269 B11R1.99 OCCCCOCCC1CC1 7a_100000754188_100000210776 [1,0,0,1,0,0|1,0,1]=4 8270 B11R1.99 OCCCCSCCC1CC1 62a_100000210776_100000764125 [1,0,0,1,0,0|1,0,1]=4 8271 B11R1.99 OCCCCSCCC1CC1 62a_100000764125_100000210776 [1,0,0,1,0,0|1,0,1]=4 8272 B11R1.109 CCCC1CCCC1NCC 269862a_100015525214_100000723119 [1,0,0,1,0,0|1,0,1]=4 8273 B11R1.109 CCCC1CCCC1NCC 270004a_100015525214_100000723119 [1,0,0,1,0,0|1,0,1]=4 8274 B11R1.117 CCNC1CCCCCCC1 2230a_100000211152_100000210202 [1,0,0,1,0,0|1,0,1]=4 8275 B11R1.117 CCNC1CCCCCCC1 270004a_100015525214_100000210524 [1,0,0,1,0,0|1,0,1]=4 8276 B11R1.117 CCNC1CCCCCCC1 34a_100000211152_100000210202 [1,0,0,1,0,0|1,0,1]=4 8277 B11R1.117 CCOC1CC/C=C\CCC1 34a_100016989180_100000210202 [1,0,0,1,0,0|2,0,0]=4 8278 B11R1.117 CCOC1CC/C=C\CCC1 34a_100121572206_100021000466 [1,0,0,1,0,0|2,0,0]=4 8279 B11R1.117 CCOC1CCCCCCC1 34a_100000210054_100000210202 [1,0,0,1,0,0|1,0,1]=4 8280 B11R1.117 CCOC1CCCCCCC1 7a_100000210054_100000210202 [1,0,0,1,0,0|1,0,1]=4 8281 B11R1.117 CCSC1CC/C=C\CCC1 62a_100000210202_100021000466 [1,0,0,1,0,0|2,0,0]=4 8282 B11R1.117 CCSC1CC/C=C\CCC1 62a_100021000466_100000210202 [1,0,0,1,0,0|2,0,0]=4 8283 B11R1.117 CNCC1CC/C=C\CCC1 2230a_100102730862_200000210301 [1,0,0,1,0,0|2,0,0]=4 8284 B11R1.117 CNCC1CC/C=C\CCC1 34a_100102730862_200000210301 [1,0,0,1,0,0|2,0,0]=4 8285 B11R1.117 COCC1CCCCCCC1 34a_100011216312_200000210301 [1,0,0,1,0,0|1,0,1]=4 8286 B11R1.117 COCC1CCCCCCC1 7a_100011216312_200000210301 [1,0,0,1,0,0|1,0,1]=4 8287 B11R1.117 FCNC1CCCCCCC1 34a_100000211152_100015361967 [1,0,0,1,0,0|2,0,0]=4 8288 B11R1.117 FCOC1CCCCCCC1 34a_100000210054_100015361967 [1,0,0,1,0,0|2,0,0]=4 8289 B11R1.117 FCOC1CCCCCCC1 7a_100000210054_100015361967 [1,0,0,1,0,0|2,0,0]=4 8290 B11R1.117 OCCN1CCCCCCC1 2230a_100000211400_100000211926 [1,0,0,1,0,0|1,0,1]=4 8291 B11R1.117 OCCN1CCCCCCC1 269982a_100000211400_100000211926 [1,0,0,1,0,0|1,0,1]=4 8292 B11R1.117 OCCN1CCCCCCC1 34a_100000211400_100000211926 [1,0,0,1,0,0|1,0,1]=4 8293 B11R1.117 [13CH3]NCC1CC/C=C\CCC1 2230a_100102730862_200025704644 [1,0,0,1,0,0|2,0,0]=4 8294 B11R1.117 [13CH3]NCC1CC/C=C\CCC1 34a_100102730862_200025704644 [1,0,0,1,0,0|2,0,0]=4 8295 B11R1.117 [13CH3]OCC1CCCCCCC1 34a_100011216312_200025704644 [1,0,0,1,0,0|1,0,1]=4 8296 B11R1.117 [13CH3]OCC1CCCCCCC1 7a_100011216312_200025704644 [1,0,0,1,0,0|1,0,1]=4 8297 B11R1.180 C/C=C/COC1CCCC1C 34a_100011216460_100102629194 [1,0,0,1,0,0|1,0,0]=3 8298 B11R1.180 C/C=C/COC1CCCC1C 7a_100011216460_100102629194 [1,0,0,1,0,0|1,0,0]=3 8299 B11R1.180 C/C=C/CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100102629194 [1,0,0,1,0,0|2,0,0]=4 8300 B11R1.180 C/C=C/CO[C@H]1CCC[C@@H]1N 34a_100000748460_100102629194 [1,0,0,1,0,0|2,0,0]=4 8301 B11R1.180 C/C=C/CO[C@H]1CNC[C@H]1C 34a_200015306588_100102629194 [1,0,0,1,0,0|2,0,0]=4 8302 B11R1.180 C/C=C/CS[C@@H]1CCC[C@H]1O 62a_100102629194_200016002552 [1,0,0,1,0,0|2,0,0]=4 8303 B11R1.180 C/C=C/CS[C@@H]1CCC[C@H]1O 62a_200016002552_100102629194 [1,0,0,1,0,0|2,0,0]=4 8304 B11R1.180 CC/C=C\CN1CCC[C@@H]1C 2230a_100020605311_100103147603 [1,0,0,1,0,0|2,0,0]=4 8305 B11R1.180 CC/C=C\CN1CCC[C@@H]1C 269982a_100020605311_100103147603 [1,0,0,1,0,0|2,0,0]=4 8306 B11R1.180 CC/C=C\CN1CCC[C@H]1C 2230a_100015189458_100103147603 [1,0,0,1,0,0|2,0,0]=4 8307 B11R1.180 CC/C=C\CN1CCC[C@H]1C 269982a_100015189458_100103147603 [1,0,0,1,0,0|2,0,0]=4 8308 B11R1.180 CC/C=C\CN1CCC[C@H]1C 34a_100015189458_100103147603 [1,0,0,1,0,0|2,0,0]=4 8309 B11R1.180 CC1CCCC1NCCCO 269862a_100000182051_100000752053 [1,0,0,1,0,0|1,0,1]=4 8310 B11R1.180 CC1CCCC1OCCCO 34a_100011216460_100000230001 [1,0,0,1,0,0|1,0,1]=4 8311 B11R1.180 CC1CCCC1OCCCO 7a_100011216460_100011215043 [1,0,0,1,0,0|1,0,1]=4 8312 B11R1.180 CC=CCOC1CCCC1C 34a_100011216460_100000070051 [1,0,0,1,0,0|1,0,0]=3 8313 B11R1.180 CC=CCOC1CCCC1C 7a_100011216460_100000070051 [1,0,0,1,0,0|1,0,0]=3 8314 B11R1.180 CC=CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000070051 [1,0,0,1,0,0|2,0,0]=4 8315 B11R1.180 CC=CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000070051 [1,0,0,1,0,0|2,0,0]=4 8316 B11R1.180 CC=CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000070051 [1,0,0,1,0,0|2,0,0]=4 8317 B11R1.180 CC=CCS[C@@H]1CCC[C@H]1O 62a_100000070051_200016002552 [1,0,0,1,0,0|2,0,0]=4 8318 B11R1.180 CC=CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000070051 [1,0,0,1,0,0|2,0,0]=4 8319 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_100000210211_200016002552 [1,0,0,1,0,0|1,0,1]=4 8320 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210210 [1,0,0,1,0,0|1,0,1]=4 8321 B11R1.180 C[C@@H]1CCCN1CCCCO 2230a_100015189458_100000210776 [1,0,0,1,0,0|1,0,1]=4 8322 B11R1.180 C[C@@H]1CCCN1CCCCO 269982a_100015189458_100000210776 [1,0,0,1,0,0|1,0,1]=4 8323 B11R1.180 C[C@@H]1CCCN1CCCCO 34a_100015189458_100011216708 [1,0,0,1,0,0|1,0,1]=4 8324 B11R1.180 C[C@H]1CCCN1CCCCO 2230a_100020605311_100000210776 [1,0,0,1,0,0|1,0,1]=4 8325 B11R1.180 C[C@H]1CCCN1CCCCO 269982a_100020605311_100000210776 [1,0,0,1,0,0|1,0,1]=4 8326 B11R1.190 CC/C=C\CCN1CCC1C 269982a_100000755817_100015370543 [1,0,0,1,0,0|2,0,0]=4 8327 B11R1.190 CC/C=C\CCN1CCC1C 34a_100000755817_100015370543 [1,0,0,1,0,0|2,0,0]=4 8328 B11R1.190 CC1CCN1CCCCCO 269982a_100000755817_100000746330 [1,0,0,1,0,0|1,0,1]=4 8329 B11R1.190 CC1CCN1CCCCCO 34a_100000755817_100000746330 [1,0,0,1,0,0|1,0,1]=4 8330 B11R1.203 C/C=C/CN1CCCCCC1 269982a_100000185865_100102629194 [1,0,0,1,0,0|1,0,0]=3 8331 B11R1.203 C/C=C/CN1CCCCCC1 34a_100000185865_100102629194 [1,0,0,1,0,0|1,0,0]=3 8332 B11R1.203 C/C=C/CN1CCCOCC1 269982a_100000685342_100102629194 [1,0,0,1,0,0|2,0,0]=4 8333 B11R1.203 C/C=C/CN1CCCOCC1 34a_100000685342_100102629194 [1,0,0,1,0,0|2,0,0]=4 8334 B11R1.203 CC=CCN1CCCCCC1 2230a_100000185865_100000070051 [1,0,0,1,0,0|1,0,0]=3 8335 B11R1.203 CC=CCN1CCCCCC1 34a_100000185865_100000070051 [1,0,0,1,0,0|1,0,0]=3 8336 B11R1.203 CC=CCN1CCCOCC1 2230a_100000685342_100000070051 [1,0,0,1,0,0|2,0,0]=4 8337 B11R1.203 CC=CCN1CCCOCC1 34a_100000685342_100000070051 [1,0,0,1,0,0|2,0,0]=4 8338 B11R1.203 CCNCC1CCCCCC1 2230a_100015204231_100000210202 [1,0,0,1,0,0|1,0,1]=4 8339 B11R1.203 CCNCC1CCCCCC1 2230a_100015525214_200000696569 [1,0,0,1,0,0|1,0,1]=4 8340 B11R1.203 CCNCC1CCCCCC1 269862a_100015525214_200000763224 [1,0,0,1,0,0|1,0,1]=4 8341 B11R1.203 CCNCC1CCCCCC1 34a_100015204231_100000210202 [1,0,0,1,0,0|1,0,1]=4 8342 B11R1.203 CCOCC1CCCCCC1 34a_100000699130_100000210202 [1,0,0,1,0,0|1,0,1]=4 8343 B11R1.203 CCOCC1CCCCCC1 34a_100121572206_200000696569 [1,0,0,1,0,0|1,0,1]=4 8344 B11R1.203 CCOCC1CCCCCC1 7a_100000699130_100000210202 [1,0,0,1,0,0|1,0,1]=4 8345 B11R1.203 CCSCC1CCCCCC1 62a_100000210202_200000696569 [1,0,0,1,0,0|1,0,1]=4 8346 B11R1.203 CCSCC1CCCCCC1 62a_200000696569_100000210202 [1,0,0,1,0,0|1,0,1]=4 8347 B11R1.203 CNCCC1CCCCCC1 2230a_100011532351_200000210301 [1,0,0,1,0,0|1,0,1]=4 8348 B11R1.203 CNCCC1CCCCCC1 34a_100011532351_200000210301 [1,0,0,1,0,0|1,0,1]=4 8349 B11R1.203 FCNCC1CCCCCC1 34a_100015204231_100015361967 [1,0,0,1,0,0|2,0,0]=4 8350 B11R1.203 FCOCC1CCCCCC1 34a_100000699130_100015361967 [1,0,0,1,0,0|2,0,0]=4 8351 B11R1.203 FCOCC1CCCCCC1 7a_100000699130_100015361967 [1,0,0,1,0,0|2,0,0]=4 8352 B11R1.203 FCSCC1CCCCCC1 62a_100015361967_200000696569 [1,0,0,1,0,0|2,0,0]=4 8353 B11R1.203 FCSCC1CCCCCC1 62a_200000696569_100015361967 [1,0,0,1,0,0|2,0,0]=4 8354 B11R1.203 OCCCN1CCCCCC1 2230a_100000185865_100000230001 [1,0,0,1,0,0|1,0,1]=4 8355 B11R1.203 OCCCN1CCCCCC1 269982a_100000185865_100011215043 [1,0,0,1,0,0|1,0,1]=4 8356 B11R1.203 OCCCN1CCCCCC1 34a_100000185865_100000230001 [1,0,0,1,0,0|1,0,1]=4 8357 B11R1.203 OCCNC1CCCCCC1 2230a_100000210984_100000211926 [1,0,0,1,0,0|1,0,1]=4 8358 B11R1.203 OCCNC1CCCCCC1 270004a_100000210304_100000210131 [1,0,0,1,0,0|1,0,1]=4 8359 B11R1.203 OCCNC1CCCCCC1 34a_100000210984_100000211926 [1,0,0,1,0,0|1,0,1]=4 8360 B11R1.203 OCCNC1CCCCCC1 34a_100016990907_100011217769 [1,0,0,1,0,0|1,0,1]=4 8361 B11R1.203 OCCOC1CCCCCC1 34a_100000210887_100000211926 [1,0,0,1,0,0|1,0,1]=4 8362 B11R1.203 OCCOC1CCCCCC1 7a_100000210887_100000211926 [1,0,0,1,0,0|1,0,1]=4 8363 B11R1.203 OCCSC1CCCCCC1 62a_100000211926_100011217769 [1,0,0,1,0,0|1,0,1]=4 8364 B11R1.203 OCCSC1CCCCCC1 62a_100011217769_100000211926 [1,0,0,1,0,0|1,0,1]=4 8365 B11R1.203 [13CH3]NCCC1CCCCCC1 2230a_100011532351_200025704644 [1,0,0,1,0,0|1,0,1]=4 8366 B11R1.203 [13CH3]NCCC1CCCCCC1 34a_100011532351_200025704644 [1,0,0,1,0,0|1,0,1]=4 8367 B11R1.232 C/C=C/CN1CCC1COC 269982a_100015195929_100102629194 [1,0,0,1,0,0|2,0,0]=4 8368 B11R1.232 C/C=C/CN1CCC1COC 34a_100015195929_100102629194 [1,0,0,1,0,0|2,0,0]=4 8369 B11R1.232 CC=CCN1CCC1COC 2230a_100015195929_100000070051 [1,0,0,1,0,0|2,0,0]=4 8370 B11R1.232 CC=CCN1CCC1COC 34a_100015195929_100000070051 [1,0,0,1,0,0|2,0,0]=4 8371 B11R1.248 CCN1CCCCCCCC1 2230a_100000039187_100000210202 [1,0,0,1,0,0|1,0,1]=4 8372 B11R1.248 CCN1CCCCCCCC1 269982a_100000039187_100000204670 [1,0,0,1,0,0|1,0,1]=4 8373 B11R1.248 CCN1CCCCCCCC1 34a_100000039187_100000210202 [1,0,0,1,0,0|1,0,1]=4 8374 B11R1.248 CNC1CCCCCCCC1 270004a_106832991635_100000038600 [1,0,0,1,0,0|1,0,1]=4 8375 B11R1.248 FCN1CCCCCCCC1 269982a_100000039187_100015361967 [1,0,0,1,0,0|2,0,0]=4 8376 B11R1.248 FCN1CCCCCCCC1 34a_100000039187_100015361967 [1,0,0,1,0,0|2,0,0]=4 8377 B13R1.6 CC/C=C\CCN1CCCC(C1)F 2230a_100000697950_100015370543 [0,1,0,1,0,0|2,0,0]=4 8378 B13R1.6 CC/C=C\CCN1CCCC(C1)F 269982a_100000697950_100015370543 [0,1,0,1,0,0|2,0,0]=4 8379 B13R1.6 CC/C=C\CCN1CCCC(C1)F 34a_100000697950_100015370543 [0,1,0,1,0,0|2,0,0]=4 8380 B13R1.6 CC/C=C\CCN1CCCC(C1)O 2230a_100000211013_100015370543 [0,1,0,1,0,0|2,0,0]=4 8381 B13R1.6 CC/C=C\CCN1CCCC(C1)O 269982a_100000211013_100015370543 [0,1,0,1,0,0|2,0,0]=4 8382 B13R1.6 CC/C=C\CCN1CCC[C@@H](C1)C 2230a_100000717927_100015370543 [0,1,0,1,0,0|2,0,0]=4 8383 B13R1.6 CC/C=C\CCN1CCC[C@@H](C1)C 269982a_100000717927_100015370543 [0,1,0,1,0,0|2,0,0]=4 8384 B13R1.6 CC/C=C\CCN1CCC[C@@H](C1)C 34a_100000717927_100015370543 [0,1,0,1,0,0|2,0,0]=4 8385 B13R1.6 CC/C=C\CNC1CCCC(C1)C 2230a_100011194320_100103147603 [0,1,0,1,0,0|2,0,0]=4 8386 B13R1.6 CC/C=C\CNC1CCCC(C1)C 34a_100011194320_100103147603 [0,1,0,1,0,0|2,0,0]=4 8387 B13R1.6 CC/C=C\CNC1CCCC(C1)O 2230a_100015190357_100103147603 [0,1,0,1,0,0|2,0,0]=4 8388 B13R1.6 CC/C=C\COC1CCCC(C1)C 34a_100000211399_100103147603 [0,1,0,1,0,0|2,0,0]=4 8389 B13R1.6 CCCCCCN1CCC=C(C1)C 2230a_100000725631_100000210314 [0,1,0,1,0,0|2,0,0]=4 8390 B13R1.6 CCCCCCN1CCC=C(C1)C 269982a_100000725631_100000210757 [0,1,0,1,0,0|2,0,0]=4 8391 B13R1.6 CCCCCCN1CCC=C(C1)C 34a_100000725631_100000210314 [0,1,0,1,0,0|2,0,0]=4 8392 B13R1.42 CC=CC(=O)CCC1CCCCC1 1458a_100000210699_100011273959 [0,1,0,1,0,0|1,0,1]=4 8393 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211375_100000210303 [0,1,0,1,0,0|1,0,1]=4 8394 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211992_100011273959 [0,1,0,1,0,0|1,0,1]=4 8395 B13R1.42 CCCC(C)COC1CC=CCC1 34a_100000073881_100011216630 [0,1,0,1,0,0|2,0,0]=4 8396 B13R1.42 CCCC(C)NCC1CC=CCC1 270004a_100000741246_100000189434 [0,1,0,1,0,0|2,0,0]=4 8397 B13R1.42 CCCC(C)OCC1CC=CCC1 34a_100000210713_100000766640 [0,1,0,1,0,0|2,0,0]=4 8398 B13R1.42 CCNC(=O)CCC1CCCCC1 11a_100015525214_100000211375 [0,1,0,1,0,0|2,0,0]=4 8399 B13R1.42 CCNC(=O)CCC1CCCCC1 240690a_100015525214_100000211375 [0,1,0,1,0,0|2,0,0]=4 8400 B13R1.42 CCNC(=O)CCC1CCCCC1 527a_100015525214_100000211375 [0,1,0,1,0,0|2,0,0]=4 8401 B13R1.42 CN(CCO)CCC1CCCCC1 2230a_100000210263_100012355289 [0,1,0,1,0,0|1,0,1]=4 8402 B13R1.42 CN(CCO)CCC1CCCCC1 269982a_100000210263_100011273959 [0,1,0,1,0,0|1,0,1]=4 8403 B13R1.42 CN(CCO)CCC1CCCCC1 270004a_100000210263_100011713444 [0,1,0,1,0,0|1,0,1]=4 8404 B13R1.42 O=C(C=CBr)CCC1CCCCC1 1458a_100016273825_100011273959 [0,1,0,1,0,0|1,0,1]=4 8405 B13R1.42 O=C(C=CCl)CCC1CCCCC1 1458a_200016279998_100011273959 [0,1,0,1,0,0|1,0,1]=4 8406 B13R1.42 O=C(C=CI)CCC1CCCCC1 1458a_100016256311_100011273959 [0,1,0,1,0,0|1,0,1]=4 8407 B13R1.42 O=C(CCF)CCC1CCCCC1 1458a_100000211375_100011217306 [0,1,0,1,0,0|1,0,1]=4 8408 B13R1.42 O=C(CCO)CCC1CCCCC1 1458a_100000211375_100000211926 [0,1,0,1,0,0|0,0,1]=3 8409 B13R1.42 O=C(CCO)CCC1CCCCC1 1458a_100011216618_100011273959 [0,1,0,1,0,0|0,0,1]=3 8410 B13R1.42 O=C(CCO)CCC1CCOCC1 1458a_100011216618_100011934994 [0,1,0,1,0,0|1,0,1]=4 8411 B13R1.42 O=C(CCO)CCN1CCCCC1 1458a_100000743487_100000211926 [0,1,0,1,0,0|1,0,1]=4 8412 B13R1.42 O=C(CCO)CCN1CCCCC1 1458a_100011216618_100000739454 [0,1,0,1,0,0|1,0,1]=4 8413 B13R1.42 O=C(CCO)COC1CCCCC1 1458a_100011216618_100011935260 [0,1,0,1,0,0|1,0,1]=4 8414 B13R1.42 O=C(CCO)COC1CCCCC1 1458a_100011223303_100000211926 [0,1,0,1,0,0|1,0,1]=4 8415 B13R1.42 O=C(CCO)NCC1CCCCC1 240690a_100000210473_100011216618 [0,1,0,1,0,0|1,0,1]=4 8416 B13R1.42 O=C(CNC1CCCCC1)NCO 2230a_100000182618_100000185155 [0,1,0,1,0,0|2,0,0]=4 8417 B13R1.42 O=C(CNC1CCCCC1)NCO 34a_100000182618_100000185155 [0,1,0,1,0,0|2,0,0]=4 8418 B13R1.42 O=C(COC1CCCCC1)NCO 34a_100000210231_100000185155 [0,1,0,1,0,0|2,0,0]=4 8419 B13R1.42 O=C(COC1CCCCC1)NCO 7a_100000210231_100000185155 [0,1,0,1,0,0|2,0,0]=4 8420 B13R1.42 O=C(CSC1CCCCC1)NCO 62a_100000185155_100000210327 [0,1,0,1,0,0|2,0,0]=4 8421 B13R1.42 O=C(CSC1CCCCC1)NCO 62a_100000210327_100000185155 [0,1,0,1,0,0|2,0,0]=4 8422 B13R1.119 CC/C=C/CCCOC1CCCC1 34a_100016287902_100000179811 [0,1,0,1,0,0|1,0,0]=3 8423 B13R1.119 CC/C=C/CCCOC1CCCC1 7a_100016287902_100000179811 [0,1,0,1,0,0|1,0,0]=3 8424 B13R1.119 CC/C=C/CCCOC1CCOC1 34a_100016287902_100000690089 [0,1,0,1,0,0|2,0,0]=4 8425 B13R1.119 CC/C=C/CCCOC1CCOC1 7a_100016287902_100000731011 [0,1,0,1,0,0|2,0,0]=4 8426 B13R1.119 CC/C=C\CCNCC1CCCC1 2230a_100000737975_100015370543 [0,1,0,1,0,0|1,0,0]=3 8427 B13R1.119 CC/C=C\CCNCC1CCCC1 34a_100000737975_100015370543 [0,1,0,1,0,0|1,0,0]=3 8428 B13R1.119 CC/C=C\CCNCC1CCOC1 2230a_100000737293_100015370543 [0,1,0,1,0,0|2,0,0]=4 8429 B13R1.119 CC/C=C\CCNCC1CCOC1 34a_100000737293_100015370543 [0,1,0,1,0,0|2,0,0]=4 8430 B13R1.119 CC/C=C\CCNC[C@@H]1CCCO1 2230a_100020590478_100015370543 [0,1,0,1,0,0|2,0,0]=4 8431 B13R1.119 CC/C=C\CCNC[C@@H]1CCCO1 34a_100020590478_100015370543 [0,1,0,1,0,0|2,0,0]=4 8432 B13R1.119 CC/C=C\CCOCC1CCCC1 34a_100000742336_100015370543 [0,1,0,1,0,0|1,0,0]=3 8433 B13R1.119 CC/C=C\CCOCC1CCCC1 34a_100016288707_100000740388 [0,1,0,1,0,0|1,0,0]=3 8434 B13R1.119 CC/C=C\CCOCC1CCCC1 7a_100000742336_100015370543 [0,1,0,1,0,0|1,0,0]=3 8435 B13R1.119 CC/C=C\CCOCC1CCCC1 7a_100016288707_100000740388 [0,1,0,1,0,0|1,0,0]=3 8436 B13R1.119 CC/C=C\CCOCC1CCCO1 34a_100000210270_100015370543 [0,1,0,1,0,0|2,0,0]=4 8437 B13R1.119 CC/C=C\CCOCC1CCCO1 7a_100000210270_100015370543 [0,1,0,1,0,0|2,0,0]=4 8438 B13R1.119 CC/C=C\CCOCC1CCCO1 7a_100016288707_100000203698 [0,1,0,1,0,0|2,0,0]=4 8439 B13R1.119 CC/C=C\CCOCC1CCNC1 34a_100000748654_100015370543 [0,1,0,1,0,0|2,0,0]=4 8440 B13R1.119 CC/C=C\CCOCC1CCOC1 34a_100000740260_100015370543 [0,1,0,1,0,0|2,0,0]=4 8441 B13R1.119 CC/C=C\CCOCC1CCOC1 34a_100016288707_100011261433 [0,1,0,1,0,0|2,0,0]=4 8442 B13R1.119 CC/C=C\CCOCC1CCOC1 7a_100016288707_100000702531 [0,1,0,1,0,0|2,0,0]=4 8443 B13R1.119 CC/C=C\CCOC[C@H]1CCCN1 34a_100000745186_100015370543 [0,1,0,1,0,0|2,0,0]=4 8444 B13R1.119 CC/C=C\CCSCC1CCCC1 62a_100000740388_100015370543 [0,1,0,1,0,0|1,0,0]=3 8445 B13R1.119 CC/C=C\CCSCC1CCCC1 62a_100015370543_100000740388 [0,1,0,1,0,0|1,0,0]=3 8446 B13R1.119 CC/C=C\CCSCC1CCCO1 62a_100000203698_100015370543 [0,1,0,1,0,0|2,0,0]=4 8447 B13R1.119 CC/C=C\CCSCC1CCCO1 62a_100015370543_100000203698 [0,1,0,1,0,0|2,0,0]=4 8448 B13R1.119 CC/C=C\CCSCC1CCOC1 62a_100000702531_100015370543 [0,1,0,1,0,0|2,0,0]=4 8449 B13R1.119 CC/C=C\CCSCC1CCOC1 62a_100015370543_100000702531 [0,1,0,1,0,0|2,0,0]=4 8450 B13R1.119 CC/C=C\CNCCC1CCCC1 2230a_100000739158_100103147603 [0,1,0,1,0,0|1,0,0]=3 8451 B13R1.119 CC/C=C\CNCCC1CCCC1 34a_100000739158_100103147603 [0,1,0,1,0,0|1,0,0]=3 8452 B13R1.119 CC/C=C\COCCC1CCCC1 34a_100000749090_100103147603 [0,1,0,1,0,0|1,0,0]=3 8453 B13R1.119 CC/C=C\COCCC1CCCC1 34a_100016268518_100000760354 [0,1,0,1,0,0|1,0,0]=3 8454 B13R1.119 CC/C=C\COCCC1CCCC1 7a_100000749090_100103147603 [0,1,0,1,0,0|1,0,0]=3 8455 B13R1.119 CC/C=C\COCCC1CCNC1 34a_100016987287_100103147603 [0,1,0,1,0,0|2,0,0]=4 8456 B13R1.119 CC/C=C\COCCC1CCOC1 34a_100011879284_100103147603 [0,1,0,1,0,0|2,0,0]=4 8457 B13R1.119 CC/C=C\CSCCC1CCCC1 62a_100000760354_100103147603 [0,1,0,1,0,0|1,0,0]=3 8458 B13R1.119 CC/C=C\CSCCC1CCCC1 62a_100103147603_100000760354 [0,1,0,1,0,0|1,0,0]=3 8459 B13R1.119 CC/C=C\CSCCN1CCCC1 62a_100000700749_100103147603 [0,1,0,1,0,0|2,0,0]=4 8460 B13R1.119 CC/C=C\CSCCN1CCCC1 62a_100103147603_100000004467 [0,1,0,1,0,0|2,0,0]=4 8461 B13R1.119 CCC/C=C/COCC1CCCC1 34a_100016278788_100000740388 [0,1,0,1,0,0|2,0,0]=4 8462 B13R1.119 CCC/C=C/COCC1CCCC1 7a_100016278788_100000740388 [0,1,0,1,0,0|2,0,0]=4 8463 B13R1.119 CCCCCCCOC1CCCO1 34a_100000085407_100000210614 [0,1,0,1,0,0|0,0,2]=4 8464 B13R1.119 CCCCCCCSc1ccco1 62a_100000210614_100009814098 [0,1,0,1,0,0|0,0,2]=4 8465 B13R1.119 CCCCCCCSc1ccco1 62a_100009814098_100000210316 [0,1,0,1,0,0|0,0,2]=4 8466 B13R1.119 CCCCCCCSc1ccoc1 62a_100000210614_100011215275 [0,1,0,1,0,0|1,0,1]=4 8467 B13R1.119 CCCCCCCSc1ccoc1 62a_100011215275_100000210316 [0,1,0,1,0,0|1,0,1]=4 8468 B13R1.119 CCCCCCCSc1ccon1 62a_100000210614_100009818083 [0,1,0,1,0,0|1,0,1]=4 8469 B13R1.119 CCCCCCCSc1ccon1 62a_100009818083_100000210316 [0,1,0,1,0,0|1,0,1]=4 8470 B13R1.119 CCCCCCCSc1cnco1 62a_100000210614_100020591547 [0,1,0,1,0,0|1,0,1]=4 8471 B13R1.119 CCCCCCCSc1cnco1 62a_100020591547_100000210316 [0,1,0,1,0,0|1,0,1]=4 8472 B13R1.119 CCCCCCCSc1cnoc1 62a_100000210614_100009815712 [0,1,0,1,0,0|2,0,0]=4 8473 B13R1.119 CCCCCCCSc1cnoc1 62a_100009815712_100000210316 [0,1,0,1,0,0|2,0,0]=4 8474 B13R1.119 CCCCCCCSc1ncco1 62a_100000210614_100011787736 [0,1,0,1,0,0|1,0,1]=4 8475 B13R1.119 CCCCCCCSc1ncco1 62a_100011787736_100000210316 [0,1,0,1,0,0|1,0,1]=4 8476 B13R1.119 CCCCCCNCC1CCCO1 2230a_100000210581_100000203698 [0,1,0,1,0,0|0,0,2]=4 8477 B13R1.119 CCCCCCNCC1OCCO1 2230a_100000036311_100000210314 [0,1,0,1,0,0|1,0,1]=4 8478 B13R1.119 CCCCCCNCC1OCCO1 2230a_100000210581_100000755774 [0,1,0,1,0,0|1,0,1]=4 8479 B13R1.119 CCCCCCNCC1OCCO1 34a_100000036311_100000210314 [0,1,0,1,0,0|1,0,1]=4 8480 B13R1.119 CCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210314 [0,1,0,1,0,0|0,0,2]=4 8481 B13R1.119 CCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000210314 [0,1,0,1,0,0|0,0,2]=4 8482 B13R1.119 CCCCCCNCc1ccco1 207a_100000210581_100000186105 [0,1,0,1,0,0|0,0,2]=4 8483 B13R1.119 CCCCCCNCc1ccco1 2230a_100000185738_100000210314 [0,1,0,1,0,0|0,0,2]=4 8484 B13R1.119 CCCCCCNCc1ccco1 270004a_100000210581_100000186105 [0,1,0,1,0,0|0,0,2]=4 8485 B13R1.119 CCCCCCNCc1ccco1 34a_100000185738_100000210314 [0,1,0,1,0,0|0,0,2]=4 8486 B13R1.119 CCCCCCNCc1ccoc1 207a_100000210581_100011215517 [0,1,0,1,0,0|1,0,1]=4 8487 B13R1.119 CCCCCCNCc1ccoc1 2230a_100015206860_100000210314 [0,1,0,1,0,0|1,0,1]=4 8488 B13R1.119 CCCCCCNCc1ccoc1 270004a_100000210581_100011215517 [0,1,0,1,0,0|1,0,1]=4 8489 B13R1.119 CCCCCCNCc1ccoc1 34a_100015206860_100000210314 [0,1,0,1,0,0|1,0,1]=4 8490 B13R1.119 CCCCCCNCc1ccon1 2230a_100000210581_100000234950 [0,1,0,1,0,0|1,0,1]=4 8491 B13R1.119 CCCCCCNCc1cnco1 270004a_100000210581_100000064291 [0,1,0,1,0,0|1,0,1]=4 8492 B13R1.119 CCCCCCNCc1ncco1 2230a_100000210581_103436540062 [0,1,0,1,0,0|1,0,1]=4 8493 B13R1.119 CCCCCCNCc1ncco1 2230a_100016994969_100000210314 [0,1,0,1,0,0|1,0,1]=4 8494 B13R1.119 CCCCCCNCc1ncco1 270004a_100000210581_100000064290 [0,1,0,1,0,0|1,0,1]=4 8495 B13R1.119 CCCCCCOCC1CCCO1 34a_100000210270_100000210314 [0,1,0,1,0,0|0,0,2]=4 8496 B13R1.119 CCCCCCOCC1CCCO1 7a_100000210259_100000203698 [0,1,0,1,0,0|0,0,2]=4 8497 B13R1.119 CCCCCCOCC1CCCO1 7a_100000210270_100000210314 [0,1,0,1,0,0|0,0,2]=4 8498 B13R1.119 CCCCCCOCC1COCO1 34a_100011216627_100000210314 [0,1,0,1,0,0|1,0,1]=4 8499 B13R1.119 CCCCCCOCC1OCCO1 34a_100000087154_100000210314 [0,1,0,1,0,0|1,0,1]=4 8500 B13R1.119 CCCCCCOCC1OCCO1 34a_100000210259_100000755774 [0,1,0,1,0,0|1,0,1]=4 8501 B13R1.119 CCCCCCOCC1OCCO1 7a_100000210259_100000755774 [0,1,0,1,0,0|1,0,1]=4 8502 B13R1.119 CCCCCCOCc1ccco1 34a_100000210059_100000210314 [0,1,0,1,0,0|0,0,2]=4 8503 B13R1.119 CCCCCCOCc1ccno1 34a_100000740478_100000210314 [0,1,0,1,0,0|1,0,1]=4 8504 B13R1.119 CCCCCCOCc1ccoc1 34a_100011215357_100000210314 [0,1,0,1,0,0|1,0,1]=4 8505 B13R1.119 CCCCCCOCc1ccon1 34a_100000210259_100000234950 [0,1,0,1,0,0|1,0,1]=4 8506 B13R1.119 CCCCCCOCc1ccon1 7a_100000210259_100000234950 [0,1,0,1,0,0|1,0,1]=4 8507 B13R1.119 CCCCCCOCc1ncco1 34a_100000062594_100000210314 [0,1,0,1,0,0|1,0,1]=4 8508 B13R1.119 CCCCCCOCc1ncco1 34a_100000210259_103436540062 [0,1,0,1,0,0|1,0,1]=4 8509 B13R1.119 CCCCCCOCc1ncco1 7a_100000210259_103436540062 [0,1,0,1,0,0|1,0,1]=4 8510 B13R1.119 CCCCCCSCC1CCCO1 62a_100000203698_100000210757 [0,1,0,1,0,0|0,0,2]=4 8511 B13R1.119 CCCCCCSCC1CCCO1 62a_100000210314_100000203698 [0,1,0,1,0,0|0,0,2]=4 8512 B13R1.119 CCCCCCSCC1OCCO1 62a_100000210314_100000755774 [0,1,0,1,0,0|1,0,1]=4 8513 B13R1.119 CCCCCCSCC1OCCO1 62a_100000755774_100000210757 [0,1,0,1,0,0|1,0,1]=4 8514 B13R1.119 CCCCCCSCc1ccon1 62a_100000210314_100000234950 [0,1,0,1,0,0|1,0,1]=4 8515 B13R1.119 CCCCCCSCc1ccon1 62a_100000234950_100000210757 [0,1,0,1,0,0|1,0,1]=4 8516 B13R1.119 CCCCCCSCc1ncco1 62a_100000210314_103436540062 [0,1,0,1,0,0|1,0,1]=4 8517 B13R1.119 CCCCCCSCc1ncco1 62a_103436540062_100000210757 [0,1,0,1,0,0|1,0,1]=4 8518 B13R1.119 CCCCCNCCC1OCCO1 2230a_100000034215_100000210326 [0,1,0,1,0,0|1,0,1]=4 8519 B13R1.119 CCCCCNCCC1OCCO1 2230a_100000209983_100000740749 [0,1,0,1,0,0|1,0,1]=4 8520 B13R1.119 CCCCCNCCC1OCCO1 34a_100000034215_100000718602 [0,1,0,1,0,0|1,0,1]=4 8521 B13R1.119 CCCCCNCCc1ccco1 2230a_100000694680_100000210326 [0,1,0,1,0,0|0,0,2]=4 8522 B13R1.119 CCCCCNCCc1ccco1 34a_100000694680_100000718602 [0,1,0,1,0,0|0,0,2]=4 8523 B13R1.119 CCCCCOCCC1OCCO1 34a_100000210253_100000740749 [0,1,0,1,0,0|1,0,1]=4 8524 B13R1.119 CCCCCOCCC1OCCO1 7a_100000210253_100000740749 [0,1,0,1,0,0|1,0,1]=4 8525 B13R1.119 CCCCCOCCc1cnoc1 34a_100000732699_100000718602 [0,1,0,1,0,0|2,0,0]=4 8526 B13R1.119 CCCCCSCCC1OCCO1 62a_100000210326_100000740749 [0,1,0,1,0,0|1,0,1]=4 8527 B13R1.119 CCCCNCCCC1OCCO1 2230a_100000102301_100000042513 [0,1,0,1,0,0|1,0,1]=4 8528 B13R1.119 CCCCNCCCC1OCCO1 7a_106832991798_100000042513 [0,1,0,1,0,0|1,0,1]=4 8529 B13R1.119 CCCCOCCCC1OCCO1 34a_100000210227_100009861162 [0,1,0,1,0,0|1,0,1]=4 8530 B13R1.119 CCCCOCCCC1OCCO1 34a_100009871617_100000210210 [0,1,0,1,0,0|1,0,1]=4 8531 B13R1.119 CCCCOCCCC1OCCO1 7a_100000210227_100000042513 [0,1,0,1,0,0|1,0,1]=4 8532 B13R1.119 CCCCOCCCC1OCCO1 7a_100009871617_100000210211 [0,1,0,1,0,0|1,0,1]=4 8533 B13R1.119 CCCCOCCCc1cnoc1 34a_100011738005_100000210210 [0,1,0,1,0,0|2,0,0]=4 8534 B13R1.119 CCCCSCCCC1OCCO1 62a_100000210211_100000042513 [0,1,0,1,0,0|1,0,1]=4 8535 B13R1.119 CCCOCCCCC1OCCO1 34a_100000210258_200009813554 [0,1,0,1,0,0|1,0,1]=4 8536 B13R1.119 CCCSCCCCC1OCCO1 62a_100000210303_100000034956 [0,1,0,1,0,0|1,0,1]=4 8537 B13R1.119 COCCNCCCC1CCCC1 2230a_100000209980_100011713738 [0,1,0,1,0,0|1,0,1]=4 8538 B13R1.119 COCCNCCCC1CCCC1 2230a_100000736752_100011201679 [0,1,0,1,0,0|1,0,1]=4 8539 B13R1.119 COCCNCCCC1CCCC1 34a_100000736752_100011201679 [0,1,0,1,0,0|1,0,1]=4 8540 B13R1.119 COCCOCCCC1CCCC1 34a_100000210237_100011713738 [0,1,0,1,0,0|1,0,1]=4 8541 B13R1.119 COCCOCCCC1CCCC1 34a_100011215328_100011201679 [0,1,0,1,0,0|1,0,1]=4 8542 B13R1.119 COCCOCCCC1CCCC1 7a_100011215328_100000233755 [0,1,0,1,0,0|1,0,1]=4 8543 B13R1.119 COCCSCCCC1CCCC1 62a_100000233755_100011713738 [0,1,0,1,0,0|1,0,1]=4 8544 B13R1.119 COCCSCCCC1CCCC1 62a_100011713738_100000233755 [0,1,0,1,0,0|1,0,1]=4 8545 B13R1.119 NOCCOCCCC1CCCC1 34a_100000700252_100011713738 [0,1,0,1,0,0|1,0,1]=4 8546 B13R1.119 OCC#CCNCCC1CCCC1 2230a_100000739158_200000047223 [0,1,0,1,0,0|0,0,2]=4 8547 B13R1.119 OCC#CCNCCC1CCCC1 34a_100000739158_200000047223 [0,1,0,1,0,0|0,0,2]=4 8548 B13R1.119 OCC#CCOCCC1CCCC1 34a_100000749090_200000047223 [0,1,0,1,0,0|0,0,2]=4 8549 B13R1.119 OCC#CCOCCC1CCCC1 7a_100000749090_200000047223 [0,1,0,1,0,0|0,0,2]=4 8550 B13R1.119 OCC#CCSCCC1CCCC1 62a_100000760354_200000047223 [0,1,0,1,0,0|0,0,2]=4 8551 B13R1.119 OCC#CCSCCC1CCCC1 62a_200000047223_100000760354 [0,1,0,1,0,0|0,0,2]=4 8552 B13R1.119 OCCCCCCCN1CCCC1 2230a_100000188435_100000760002 [0,1,0,1,0,0|0,0,2]=4 8553 B13R1.119 OCCCCCCCN1CCCC1 269982a_100000188435_100000760002 [0,1,0,1,0,0|0,0,2]=4 8554 B13R1.119 OCCCCCCNC1CCCC1 2230a_100000211070_100000766143 [0,1,0,1,0,0|0,0,2]=4 8555 B13R1.119 OCCCCCCNC1CCCC1 2230a_100000686447_100000179811 [0,1,0,1,0,0|0,0,2]=4 8556 B13R1.119 OCCCCCCNC1CCCC1 270004a_100000686447_100000210133 [0,1,0,1,0,0|0,0,2]=4 8557 B13R1.119 OCCCCCCNC1CCCC1 34a_100000211070_100000766143 [0,1,0,1,0,0|0,0,2]=4 8558 B13R1.119 OCCCCCCNC1CCCC1 34a_100000686447_100000179811 [0,1,0,1,0,0|0,0,2]=4 8559 B13R1.119 OCCCCCCOC1CCCC1 34a_100000210269_100000766143 [0,1,0,1,0,0|0,0,2]=4 8560 B13R1.119 OCCCCCCOC1CCCC1 7a_100000210269_100000766143 [0,1,0,1,0,0|0,0,2]=4 8561 B13R1.119 OCCCCCCSC1CCCC1 62a_100000766143_100000179811 [0,1,0,1,0,0|0,0,2]=4 8562 B13R1.119 OCCCCCCSC1CCCC1 62a_100011217020_100000766143 [0,1,0,1,0,0|0,0,2]=4 8563 B13R1.119 OCCCCCNCC1CCCC1 2230a_100000737975_100000746330 [0,1,0,1,0,0|0,0,2]=4 8564 B13R1.119 OCCCCCNCC1CCCC1 2230a_100000762737_100000740388 [0,1,0,1,0,0|0,0,2]=4 8565 B13R1.119 OCCCCCNCC1CCCC1 269862a_100000762737_100000746403 [0,1,0,1,0,0|0,0,2]=4 8566 B13R1.119 OCCCCCNCC1CCCC1 34a_100000737975_100000746330 [0,1,0,1,0,0|0,0,2]=4 8567 B13R1.119 OCCCCCNCC1CCCC1 34a_100000762737_100000740388 [0,1,0,1,0,0|0,0,2]=4 8568 B13R1.119 OCCCCCOCC1CCCC1 34a_100000742336_100000746330 [0,1,0,1,0,0|0,0,2]=4 8569 B13R1.119 OCCCCCOCC1CCCC1 7a_100000742336_100000746330 [0,1,0,1,0,0|0,0,2]=4 8570 B13R1.119 OCCCCCSCC1CCCC1 62a_100000740388_100000746330 [0,1,0,1,0,0|0,0,2]=4 8571 B13R1.119 OCCCCCSCC1CCCC1 62a_100000746330_100000740388 [0,1,0,1,0,0|0,0,2]=4 8572 B13R1.119 OCCCCNCCC1CCCC1 2230a_100000739158_100000210776 [0,1,0,1,0,0|0,0,2]=4 8573 B13R1.119 OCCCCNCCC1CCCC1 2230a_100000750430_100000760354 [0,1,0,1,0,0|0,0,2]=4 8574 B13R1.119 OCCCCNCCC1CCCC1 34a_100000739158_100011216708 [0,1,0,1,0,0|0,0,2]=4 8575 B13R1.119 OCCCCNCCC1CCCC1 34a_100000750430_100000760354 [0,1,0,1,0,0|0,0,2]=4 8576 B13R1.119 OCCCCOCCC1CCCC1 34a_100000749090_100011216708 [0,1,0,1,0,0|0,0,2]=4 8577 B13R1.119 OCCCCOCCC1CCCC1 7a_100000749090_100000210776 [0,1,0,1,0,0|0,0,2]=4 8578 B13R1.119 OCCCCSCCC1CCCC1 62a_100000210776_100000760354 [0,1,0,1,0,0|0,0,2]=4 8579 B13R1.119 OCCCCSCCC1CCCC1 62a_100000760354_100000210776 [0,1,0,1,0,0|0,0,2]=4 8580 B13R1.119 OCCCNCCCC1CCCC1 2230a_100000736752_100000230001 [0,1,0,1,0,0|0,0,2]=4 8581 B13R1.119 OCCCNCCCC1CCCC1 34a_100000736752_100000230001 [0,1,0,1,0,0|0,0,2]=4 8582 B13R1.119 OCCCOCCCC1CCCC1 34a_100011215328_100000230001 [0,1,0,1,0,0|0,0,2]=4 8583 B13R1.119 OCCCOCCCC1CCCC1 7a_100011215328_100011215043 [0,1,0,1,0,0|0,0,2]=4 8584 B13R1.119 OCCCSCCCC1CCCC1 62a_100011215043_100011713738 [0,1,0,1,0,0|0,0,2]=4 8585 B13R1.119 OCCCSCCCC1CCCC1 62a_100011713738_100011215043 [0,1,0,1,0,0|0,0,2]=4 8586 B13R1.119 OCCNCCCOC1CCCC1 34a_100000747560_100000211926 [0,1,0,1,0,0|1,0,1]=4 8587 B13R1.119 OCCOCCNCC1CCCC1 2230a_100000211614_100000740388 [0,1,0,1,0,0|1,0,1]=4 8588 B13R1.119 OCCOCCNCC1CCCC1 2230a_100000737975_100011215305 [0,1,0,1,0,0|1,0,1]=4 8589 B13R1.119 OCCOCCNCC1CCCC1 269862a_100000211614_100000746403 [0,1,0,1,0,0|1,0,1]=4 8590 B13R1.119 OCCOCCNCC1CCCC1 34a_100000211614_100000740388 [0,1,0,1,0,0|1,0,1]=4 8591 B13R1.119 OCCOCCNCC1CCCC1 34a_100000737975_100000692535 [0,1,0,1,0,0|1,0,1]=4 8592 B13R1.119 OCCOCCOCC1CCCC1 34a_100000742336_100000692535 [0,1,0,1,0,0|1,0,1]=4 8593 B13R1.119 OCCOCCOCC1CCCC1 7a_100000742336_100011215305 [0,1,0,1,0,0|1,0,1]=4 8594 B13R1.119 OCCOCCSCC1CCCC1 62a_100000740388_100011215305 [0,1,0,1,0,0|1,0,1]=4 8595 B13R1.119 OCCOCCSCC1CCCC1 62a_100011215305_100000740388 [0,1,0,1,0,0|1,0,1]=4 8596 B13R1.119 OCCSCCNCC1CCCC1 2230a_100011219999_100000740388 [0,1,0,1,0,0|1,0,1]=4 8597 B13R1.119 OCCSCCNCC1CCCC1 269862a_100011219999_100000746403 [0,1,0,1,0,0|1,0,1]=4 8598 B13R1.208 CCCC1CCCC1N(C)CCO 270004a_100000210263_100000723119 [0,1,0,1,0,0|1,0,1]=4 8599 B13R1.362 CC/C=C\CCNCC1CC(C1)O 2230a_100016992100_100015370543 [0,1,0,1,0,0|2,0,0]=4 8600 B13R1.362 CC/C=C\CCOCC1CC(C1)Cl 34a_100009874164_100015370543 [0,1,0,1,0,0|2,0,0]=4 8601 B13R1.362 CCCCCCCCN1CC(C1)O 269982a_100000749847_100000210759 [0,1,0,1,0,0|1,0,1]=4 8602 B13R1.369 CCCNCC1CCC(=CC1C)C 269862a_100020643023_100000075207 [0,1,0,1,0,0|2,0,0]=4 8603 B13R1.404 CC=CC(=O)CCCC1CCCC1 1458a_100000210699_100011713738 [0,1,0,1,0,0|1,0,1]=4 8604 B13R1.404 CCCC(=O)CCCC1CCCC1 1458a_100000211992_100011713738 [0,1,0,1,0,0|1,0,1]=4 8605 B13R1.404 CN(CCO)CCCC1CCCC1 2230a_100000210263_100011713738 [0,1,0,1,0,0|1,0,1]=4 8606 B13R1.404 CN(CCO)CCCC1CCCC1 2230a_100015186261_100000211926 [0,1,0,1,0,0|1,0,1]=4 8607 B13R1.404 CN(CCO)CCCC1CCCC1 269982a_100000210263_100011713738 [0,1,0,1,0,0|1,0,1]=4 8608 B13R1.404 CN(CCO)CCCC1CCCC1 269982a_100015186261_100000211926 [0,1,0,1,0,0|1,0,1]=4 8609 B13R1.404 CN(CCO)CCCC1CCCC1 34a_100015186261_100000211926 [0,1,0,1,0,0|1,0,1]=4 8610 B13R1.404 O=C(C=CBr)CCCC1CCCC1 1458a_100016273825_100011713738 [0,1,0,1,0,0|1,0,1]=4 8611 B13R1.404 O=C(C=CCl)CCCC1CCCC1 1458a_200016279998_100011713738 [0,1,0,1,0,0|1,0,1]=4 8612 B13R1.404 O=C(C=CI)CCCC1CCCC1 1458a_100016256311_100011713738 [0,1,0,1,0,0|1,0,1]=4 8613 B13R1.404 O=C(CCO)CCCC1CCCC1 1458a_100011216618_100011713738 [0,1,0,1,0,0|0,0,1]=3 8614 B13R1.404 O=C(CCO)CCCN1CCCC1 1458a_100000743284_100000211926 [0,1,0,1,0,0|1,0,1]=4 8615 B13R1.404 O=C(CCO)CCCN1CCCC1 1458a_100011216618_100011445909 [0,1,0,1,0,0|1,0,1]=4 8616 B13R1.404 O=C(CCO)NCCC1CCCC1 240690a_100000739158_100011216618 [0,1,0,1,0,0|1,0,1]=4 8617 B13R1.404 O=C(CNCC1CCCC1)NCO 2230a_100000737975_100000185155 [0,1,0,1,0,0|2,0,0]=4 8618 B13R1.404 O=C(CNCC1CCCC1)NCO 34a_100000737975_100000185155 [0,1,0,1,0,0|2,0,0]=4 8619 B13R1.404 O=C(COCC1CCCC1)NCO 34a_100000742336_100000185155 [0,1,0,1,0,0|2,0,0]=4 8620 B13R1.404 O=C(COCC1CCCC1)NCO 7a_100000742336_100000185155 [0,1,0,1,0,0|2,0,0]=4 8621 B13R1.404 O=C(CSCC1CCCC1)NCO 62a_100000185155_100000740388 [0,1,0,1,0,0|2,0,0]=4 8622 B13R1.404 O=C(CSCC1CCCC1)NCO 62a_100000740388_100000185155 [0,1,0,1,0,0|2,0,0]=4 8623 B13R1.443 CCC1CCCN1CC(=O)NCO 2230a_100000754278_100000185155 [0,1,0,1,0,0|2,0,0]=4 8624 B13R1.443 CCC1CCCN1CC(=O)NCO 269982a_100000754278_100000185155 [0,1,0,1,0,0|2,0,0]=4 8625 B13R1.443 CCC1CCCN1CC(=O)NCO 34a_100000754278_100000185155 [0,1,0,1,0,0|2,0,0]=4 8626 B13R1.444 CC1CCCC1OCC(=O)NCO 34a_100011216460_100000185155 [0,1,0,1,0,0|2,0,0]=4 8627 B13R1.444 CC1CCCC1OCC(=O)NCO 7a_100011216460_100000185155 [0,1,0,1,0,0|2,0,0]=4 8628 B13R1.444 CN1CCCC1CCC(=O)CCO 1458a_100011216618_100000005710 [0,1,0,1,0,0|1,0,1]=4 8629 B13R1.463 CN1CCCCCC1C(=O)CCO 1458a_100015187800_100000211926 [0,1,0,1,0,0|1,0,1]=4 8630 B13R1.464 CCC1CCCCC1N(C)CCO 270004a_100000210263_100000757040 [0,1,0,1,0,0|1,0,1]=4 8631 B13R1.464 CCC1CCCCN1C(=O)CCO 240690a_100000210034_100011216618 [0,1,0,1,0,0|1,0,1]=4 8632 B13R1.464 CCN1CCCCC1C(=O)CCO 1458a_100000743832_100000211926 [0,1,0,1,0,0|1,0,1]=4 8633 B13R1.470 CC1CCCCC1NC(=O)CCO 240690a_100000211402_100011216618 [0,1,0,1,0,0|1,0,1]=4 8634 B13R1.470 CC1CCCCN1CC(=O)NCO 2230a_100000211376_100000185155 [0,1,0,1,0,0|2,0,0]=4 8635 B13R1.470 CC1CCCCN1CC(=O)NCO 269982a_100000211376_100000185155 [0,1,0,1,0,0|2,0,0]=4 8636 B13R1.470 CC1CCCCN1CC(=O)NCO 34a_100000211376_100000185155 [0,1,0,1,0,0|2,0,0]=4 8637 B13R1.470 CN1CCCCC1CC(=O)CCO 1458a_100011216618_100015185383 [0,1,0,1,0,0|1,0,1]=4 8638 B13R1.654 CC/C=C\CCOC1CCCC1C 34a_100011216460_100015370543 [0,1,0,1,0,0|1,0,0]=3 8639 B13R1.654 CC/C=C\CCOC1CCCC1C 7a_100011216460_100015370543 [0,1,0,1,0,0|1,0,0]=3 8640 B13R1.654 CC/C=C\CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100015370543 [0,1,0,1,0,0|2,0,0]=4 8641 B13R1.654 CC/C=C\CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100015370543 [0,1,0,1,0,0|2,0,0]=4 8642 B13R1.654 CC/C=C\CCO[C@H]1CNC[C@H]1C 34a_200015306588_100015370543 [0,1,0,1,0,0|2,0,0]=4 8643 B13R1.654 CC/C=C\CCS[C@@H]1CCC[C@H]1O 62a_100015370543_200016002552 [0,1,0,1,0,0|2,0,0]=4 8644 B13R1.654 CC/C=C\CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100015370543 [0,1,0,1,0,0|2,0,0]=4 8645 B13R1.654 CC/C=C\COCC1CCCN1C 34a_100000743107_100103147603 [0,1,0,1,0,0|2,0,0]=4 8646 B13R1.654 CC1CCCC1NCCCCCO 269862a_100000762737_100000752053 [0,1,0,1,0,0|0,0,2]=4 8647 B13R1.654 CC1CCCC1NCCOCCO 269862a_100000211614_100000752053 [0,1,0,1,0,0|1,0,1]=4 8648 B13R1.654 CC1CCCC1NCCSCCO 269862a_100011219999_100000752053 [0,1,0,1,0,0|1,0,1]=4 8649 B13R1.654 CC1CCCC1OCCCCCO 34a_100011216460_100000746330 [0,1,0,1,0,0|0,0,2]=4 8650 B13R1.654 CC1CCCC1OCCCCCO 7a_100011216460_100000746330 [0,1,0,1,0,0|0,0,2]=4 8651 B13R1.654 CC1CCCC1OCCOCCO 34a_100011216460_100000692535 [0,1,0,1,0,0|1,0,1]=4 8652 B13R1.654 CC1CCCC1OCCOCCO 7a_100011216460_100011215305 [0,1,0,1,0,0|1,0,1]=4 8653 B13R1.654 CCCCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210314 [0,1,0,1,0,0|1,0,1]=4 8654 B13R1.654 CCCCCCOC1COCC1O 34a_100000210259_200000725654 [0,1,0,1,0,0|1,0,1]=4 8655 B13R1.654 CCCCCCOC1COCC1O 7a_100000210259_200000725654 [0,1,0,1,0,0|1,0,1]=4 8656 B13R1.654 CCCCCCSC1COCC1O 62a_100000210314_200000725654 [0,1,0,1,0,0|1,0,1]=4 8657 B13R1.654 CCCCCCSC1COCC1O 62a_200000725654_100000210757 [0,1,0,1,0,0|1,0,1]=4 8658 B13R1.654 CCCCCCS[C@@H]1CCC[C@H]1O 62a_100000210314_200016002552 [0,1,0,1,0,0|0,0,2]=4 8659 B13R1.654 CCCCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210757 [0,1,0,1,0,0|0,0,2]=4 8660 B13R1.654 C[C@@H]1CCCN1CCCCCCO 2230a_100015189458_100000766143 [0,1,0,1,0,0|0,0,2]=4 8661 B13R1.654 C[C@@H]1CCCN1CCCCCCO 269982a_100015189458_100000766143 [0,1,0,1,0,0|0,0,2]=4 8662 B13R1.654 C[C@@H]1CCCN1CCCCCCO 34a_100015189458_100000766143 [0,1,0,1,0,0|0,0,2]=4 8663 B13R1.654 C[C@H]1CCCN1CCCCCCO 2230a_100020605311_100000766143 [0,1,0,1,0,0|0,0,2]=4 8664 B13R1.654 C[C@H]1CCCN1CCCCCCO 269982a_100020605311_100000766143 [0,1,0,1,0,0|0,0,2]=4 8665 B13R1.1149 CC/C=C\CN1CCCC(CC1)C 2230a_100025706717_100103147603 [0,1,0,1,0,0|2,0,0]=4 8666 B13R1.1149 CC/C=C\CN1CCCC(CC1)C 269982a_100025706717_100103147603 [0,1,0,1,0,0|2,0,0]=4 8667 B13R1.1149 CC/C=C\CN1CCCC(CC1)C 34a_100025706717_100103147603 [0,1,0,1,0,0|2,0,0]=4 8668 B13R1.1149 CC/C=C\CN1CCCC(CC1)O 2230a_100015186869_100103147603 [0,1,0,1,0,0|2,0,0]=4 8669 B13R1.1149 CC/C=C\CN1CCCC(CC1)O 269982a_100015186869_100103147603 [0,1,0,1,0,0|2,0,0]=4 8670 B13R1.1464 CCCC(=O)C1CC/C=C\CCC1 1458a_100000211992_100021000466 [0,1,0,1,0,0|1,0,1]=4 8671 B13R1.1464 CCCN(C)C1CC/C=C\CCC1 269982a_100000747261_100021000466 [0,1,0,1,0,0|2,0,0]=4 8672 B13R1.1464 CN(CCO)C1CCCCCCC1 270004a_100000210263_100000210524 [0,1,0,1,0,0|1,0,1]=4 8673 B13R1.1464 O=C(CCO)N1CCCCCCC1 240690a_100000211400_100011216618 [0,1,0,1,0,0|1,0,1]=4 8674 B13R1.1575 CC=CC(=O)CC1CCCCCC1 1458a_100000210699_200000696569 [0,1,0,1,0,0|1,0,1]=4 8675 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000211992_200000696569 [0,1,0,1,0,0|1,0,1]=4 8676 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000685095_100000210303 [0,1,0,1,0,0|1,0,1]=4 8677 B13R1.1575 CCNC(=O)CC1CCCCCC1 11a_100015525214_100000685095 [0,1,0,1,0,0|2,0,0]=4 8678 B13R1.1575 CCNC(=O)CC1CCCCCC1 240690a_100015525214_100000685095 [0,1,0,1,0,0|2,0,0]=4 8679 B13R1.1575 CCNC(=O)CC1CCCCCC1 527a_100015525214_100000685095 [0,1,0,1,0,0|2,0,0]=4 8680 B13R1.1575 CN(CCO)CC1CCCCCC1 2230a_100000210263_200000696569 [0,1,0,1,0,0|1,0,1]=4 8681 B13R1.1575 CN(CCO)CC1CCCCCC1 269982a_100000210263_200000696569 [0,1,0,1,0,0|1,0,1]=4 8682 B13R1.1575 O=C(C=CBr)CC1CCCCCC1 1458a_100016273825_200000696569 [0,1,0,1,0,0|1,0,1]=4 8683 B13R1.1575 O=C(C=CCl)CC1CCCCCC1 1458a_200016279998_200000696569 [0,1,0,1,0,0|1,0,1]=4 8684 B13R1.1575 O=C(C=CI)CC1CCCCCC1 1458a_100016256311_200000696569 [0,1,0,1,0,0|1,0,1]=4 8685 B13R1.1575 O=C(CCF)CC1CCCCCC1 1458a_100000685095_100011217306 [0,1,0,1,0,0|1,0,1]=4 8686 B13R1.1575 O=C(CCO)CC1CCCCCC1 1458a_100000685095_100000211926 [0,1,0,1,0,0|0,0,1]=3 8687 B13R1.1575 O=C(CCO)CC1CCCCCC1 1458a_100011216618_200000696569 [0,1,0,1,0,0|0,0,1]=3 8688 B13R1.1575 O=C(CCO)CN1CCCCCC1 1458a_100000740298_100000211926 [0,1,0,1,0,0|1,0,1]=4 8689 B13R1.1575 O=C(CCO)NC1CCCCCC1 240690a_100000210984_100011216618 [0,1,0,1,0,0|1,0,1]=4 8690 B13R1.1575 O=C(CN1CCCCCC1)NCO 2230a_100000185865_100000185155 [0,1,0,1,0,0|2,0,0]=4 8691 B13R1.1575 O=C(CN1CCCCCC1)NCO 269982a_100000185865_100000185155 [0,1,0,1,0,0|2,0,0]=4 8692 B13R1.1575 O=C(CN1CCCCCC1)NCO 34a_100000185865_100000185155 [0,1,0,1,0,0|2,0,0]=4 8693 B13R1.3151 CC/C=C\CCNCC(O)C1CC1 2230a_100000751198_100015370543 [0,1,0,1,0,0|2,0,0]=4 8694 B13R1.3151 CC/C=C\CCNCC(O)C1CC1 34a_100000751198_100015370543 [0,1,0,1,0,0|2,0,0]=4 8695 B13R1.3151 CC/C=C\CCOC[C@H](N)C1CC1 34a_100020623730_100015370543 [0,1,0,1,0,0|2,0,0]=4 8696 B13R1.3151 CCCCCCCCC(=O)C1CC1 1458a_100000210395_100000210759 [0,1,0,1,0,0|1,0,1]=4 8697 B13R1.3151 CCCCCCCCC(=O)C1CO1 1458a_100000701028_100000210759 [0,1,0,1,0,0|0,0,1]=3 8698 B13R1.3151 CCCCCCCNC(=O)C1CO1 11a_100000229938_100000701028 [0,1,0,1,0,0|1,0,1]=4 8699 B13R1.3151 CCCCCCCNC(=O)C1CO1 1626a_100000229938_100000701028 [0,1,0,1,0,0|1,0,1]=4 8700 B13R1.3151 CCCCCCCNC(=O)C1CO1 240690a_100000229938_100000701028 [0,1,0,1,0,0|1,0,1]=4 8701 B13R1.3151 CCCCCCCNC(=O)C1CO1 527a_100000229938_100000701028 [0,1,0,1,0,0|1,0,1]=4 8702 B13R1.3151 COCCCCCCC(=O)C1CO1 1458a_100000701028_100011998445 [0,1,0,1,0,0|1,0,1]=4 8703 B13R1.3151 O=C(CCCCCCCO)C1CO1 1458a_100000701028_100000760002 [0,1,0,1,0,0|1,0,1]=4 8704 B13R1.3673 CC/C=C\CCNCC1(CCC1)C 2230a_100000706607_100015370543 [0,1,0,1,0,0|2,0,0]=4 8705 B13R1.3673 CC/C=C\CCNCC1(CCC1)O 2230a_100000752638_100015370543 [0,1,0,1,0,0|2,0,0]=4 8706 B13R1.3673 CC/C=C\CCOCC1(CCC1)C 34a_100016288707_100000726658 [0,1,0,1,0,0|2,0,0]=4 8707 B13R1.3673 CC/C=C\CCOCC1(CCC1)C 7a_100016288707_100000726658 [0,1,0,1,0,0|2,0,0]=4 8708 B13R1.3673 CC/C=C\CCSCC1(CCC1)C 62a_100000726658_100015370543 [0,1,0,1,0,0|2,0,0]=4 8709 B13R1.3673 CC/C=C\CCSCC1(CCC1)C 62a_100015370543_100000726658 [0,1,0,1,0,0|2,0,0]=4 8710 B13R1.28 CC/C=C\CCNC1CCCCC1 2230a_100000182618_100015370543 [0,1,0,1,0,0|1,0,0]=3 8711 B13R1.28 CC/C=C\CCNC1CCCCC1 34a_100000182618_100015370543 [0,1,0,1,0,0|1,0,0]=3 8712 B13R1.28 CC/C=C\CCNC1CCCOC1 2230a_100000719290_100015370543 [0,1,0,1,0,0|2,0,0]=4 8713 B13R1.28 CC/C=C\CCNC1CCCOC1 34a_100000719290_100015370543 [0,1,0,1,0,0|2,0,0]=4 8714 B13R1.28 CC/C=C\CCNC1CCOCC1 2230a_100000741149_100015370543 [0,1,0,1,0,0|2,0,0]=4 8715 B13R1.28 CC/C=C\CCNC1CCOCC1 34a_100000741149_100015370543 [0,1,0,1,0,0|2,0,0]=4 8716 B13R1.28 CC/C=C\CCNC1CCSCC1 2230a_100000748639_100015370543 [0,1,0,1,0,0|2,0,0]=4 8717 B13R1.28 CC/C=C\CCNC1CCSCC1 34a_100000748639_100015370543 [0,1,0,1,0,0|2,0,0]=4 8718 B13R1.28 CC/C=C\CCOC1CCCCC1 34a_100000210231_100015370543 [0,1,0,1,0,0|1,0,0]=3 8719 B13R1.28 CC/C=C\CCOC1CCCCC1 34a_100016288707_100000210327 [0,1,0,1,0,0|1,0,0]=3 8720 B13R1.28 CC/C=C\CCOC1CCCCC1 7a_100000210231_100015370543 [0,1,0,1,0,0|1,0,0]=3 8721 B13R1.28 CC/C=C\CCOC1CCCCC1 7a_100016288707_100000210327 [0,1,0,1,0,0|1,0,0]=3 8722 B13R1.28 CC/C=C\CCOC1CCCCO1 34a_100000033831_100015370543 [0,1,0,1,0,0|2,0,0]=4 8723 B13R1.28 CC/C=C\CCOC1CCCOC1 34a_100000754041_100015370543 [0,1,0,1,0,0|2,0,0]=4 8724 B13R1.28 CC/C=C\CCOC1CCCOC1 34a_100016288707_100000693364 [0,1,0,1,0,0|2,0,0]=4 8725 B13R1.28 CC/C=C\CCOC1CCCOC1 7a_100016288707_100000693364 [0,1,0,1,0,0|2,0,0]=4 8726 B13R1.28 CC/C=C\CCOC1CCCSC1 7a_100015962668_100015370543 [0,1,0,1,0,0|2,0,0]=4 8727 B13R1.28 CC/C=C\CCOC1CCOCC1 34a_100000744328_100015370543 [0,1,0,1,0,0|2,0,0]=4 8728 B13R1.28 CC/C=C\CCOC1CCOCC1 7a_100016288707_100000686592 [0,1,0,1,0,0|2,0,0]=4 8729 B13R1.28 CC/C=C\CCOC1CCSCC1 34a_100000731022_100015370543 [0,1,0,1,0,0|2,0,0]=4 8730 B13R1.28 CC/C=C\CCOC1CCSCC1 34a_100016288707_100000069128 [0,1,0,1,0,0|2,0,0]=4 8731 B13R1.28 CC/C=C\CCOC1CCSCC1 7a_100000731022_100015370543 [0,1,0,1,0,0|2,0,0]=4 8732 B13R1.28 CC/C=C\CCOC1CCSCC1 7a_100016288707_100011500858 [0,1,0,1,0,0|2,0,0]=4 8733 B13R1.28 CC/C=C\CCSC1CCCCC1 62a_100000210327_100015370543 [0,1,0,1,0,0|1,0,0]=3 8734 B13R1.28 CC/C=C\CCSC1CCCCC1 62a_100015370543_100000210327 [0,1,0,1,0,0|1,0,0]=3 8735 B13R1.28 CC/C=C\CCSC1CCCOC1 62a_100015370543_100000693364 [0,1,0,1,0,0|2,0,0]=4 8736 B13R1.28 CC/C=C\CCSC1CCOCC1 62a_100015370543_100011324220 [0,1,0,1,0,0|2,0,0]=4 8737 B13R1.28 CC/C=C\CCSC1CCSCC1 62a_100015370543_100000069128 [0,1,0,1,0,0|2,0,0]=4 8738 B13R1.28 CC/C=C\CNCC1CCCCC1 2230a_100000210473_100103147603 [0,1,0,1,0,0|1,0,0]=3 8739 B13R1.28 CC/C=C\CNCC1CCCCC1 34a_100000210473_100103147603 [0,1,0,1,0,0|1,0,0]=3 8740 B13R1.28 CC/C=C\CNCC1CCCCO1 2230a_100000174945_100103147603 [0,1,0,1,0,0|2,0,0]=4 8741 B13R1.28 CC/C=C\CNCC1CCCCO1 34a_100000174945_100103147603 [0,1,0,1,0,0|2,0,0]=4 8742 B13R1.28 CC/C=C\CNCC1CCCOC1 2230a_100000720124_100103147603 [0,1,0,1,0,0|2,0,0]=4 8743 B13R1.28 CC/C=C\CNCC1CCCOC1 34a_100000720124_100103147603 [0,1,0,1,0,0|2,0,0]=4 8744 B13R1.28 CC/C=C\CNCC1CCOCC1 2230a_100000746373_100103147603 [0,1,0,1,0,0|2,0,0]=4 8745 B13R1.28 CC/C=C\CNCC1CCOCC1 34a_100000746373_100103147603 [0,1,0,1,0,0|2,0,0]=4 8746 B13R1.28 CC/C=C\CNCC1CCSCC1 2230a_100015188806_100103147603 [0,1,0,1,0,0|2,0,0]=4 8747 B13R1.28 CC/C=C\CNCC1CCSCC1 34a_100015188806_100103147603 [0,1,0,1,0,0|2,0,0]=4 8748 B13R1.28 CC/C=C\COCC1CCCCC1 34a_100000212181_100103147603 [0,1,0,1,0,0|1,0,0]=3 8749 B13R1.28 CC/C=C\COCC1CCCCC1 34a_100016268518_100000211423 [0,1,0,1,0,0|1,0,0]=3 8750 B13R1.28 CC/C=C\COCC1CCCCC1 7a_100000212181_100103147603 [0,1,0,1,0,0|1,0,0]=3 8751 B13R1.28 CC/C=C\COCC1CCCCN1 34a_100000210821_100103147603 [0,1,0,1,0,0|2,0,0]=4 8752 B13R1.28 CC/C=C\COCC1CCCCO1 34a_100000211370_100103147603 [0,1,0,1,0,0|2,0,0]=4 8753 B13R1.28 CC/C=C\COCC1CCCCO1 34a_100016268518_100000211543 [0,1,0,1,0,0|2,0,0]=4 8754 B13R1.28 CC/C=C\COCC1CCCCO1 7a_100000211370_100103147603 [0,1,0,1,0,0|2,0,0]=4 8755 B13R1.28 CC/C=C\COCC1CCCNC1 34a_100000211344_100103147603 [0,1,0,1,0,0|2,0,0]=4 8756 B13R1.28 CC/C=C\COCC1CCCOC1 34a_100000741520_100103147603 [0,1,0,1,0,0|2,0,0]=4 8757 B13R1.28 CC/C=C\COCC1CCCOC1 34a_100016268518_100000741521 [0,1,0,1,0,0|2,0,0]=4 8758 B13R1.28 CC/C=C\COCC1CCNCC1 34a_100000738675_100103147603 [0,1,0,1,0,0|2,0,0]=4 8759 B13R1.28 CC/C=C\COCC1CCOCC1 34a_100000749013_100103147603 [0,1,0,1,0,0|2,0,0]=4 8760 B13R1.28 CC/C=C\COCC1CCOCC1 34a_100016268518_100000754603 [0,1,0,1,0,0|2,0,0]=4 8761 B13R1.28 CC/C=C\COCC1CCSCC1 34a_100000070558_100103147603 [0,1,0,1,0,0|2,0,0]=4 8762 B13R1.28 CC/C=C\COCC1CCSCC1 7a_100000070558_100103147603 [0,1,0,1,0,0|2,0,0]=4 8763 B13R1.28 CC/C=C\CSCC1CCCCC1 62a_100000211423_100103147603 [0,1,0,1,0,0|1,0,0]=3 8764 B13R1.28 CC/C=C\CSCC1CCCCC1 62a_100103147603_100000211423 [0,1,0,1,0,0|1,0,0]=3 8765 B13R1.28 CC/C=C\CSCC1CCCCO1 62a_100000211543_100103147603 [0,1,0,1,0,0|2,0,0]=4 8766 B13R1.28 CC/C=C\CSCC1CCCCO1 62a_100103147603_100000211543 [0,1,0,1,0,0|2,0,0]=4 8767 B13R1.28 CC/C=C\CSCC1CCCOC1 62a_100000741521_100103147603 [0,1,0,1,0,0|2,0,0]=4 8768 B13R1.28 CC/C=C\CSCC1CCCOC1 62a_100103147603_100000741521 [0,1,0,1,0,0|2,0,0]=4 8769 B13R1.28 CC/C=C\CSCC1CCOCC1 62a_100000754603_100103147603 [0,1,0,1,0,0|2,0,0]=4 8770 B13R1.28 CC/C=C\CSCC1CCOCC1 62a_100103147603_100000749018 [0,1,0,1,0,0|2,0,0]=4 8771 B13R1.28 CCC/C=C/COC1CCCCC1 34a_100016278788_100000210327 [0,1,0,1,0,0|2,0,0]=4 8772 B13R1.28 CCC/C=C/COC1CCCCC1 7a_100016278788_100000210327 [0,1,0,1,0,0|2,0,0]=4 8773 B13R1.28 CCCCCCCN1CC=CCC1 2230a_100000698166_100000210681 [0,1,0,1,0,0|1,0,0]=3 8774 B13R1.28 CCCCCCCN1CC=CCC1 269982a_100000698166_100000210681 [0,1,0,1,0,0|1,0,0]=3 8775 B13R1.28 CCCCCCCN1CC=CCC1 34a_100000698166_100000210614 [0,1,0,1,0,0|1,0,0]=3 8776 B13R1.28 CCCCCCNC1C=CCCC1 2230a_100000210581_100000751183 [0,1,0,1,0,0|2,0,0]=4 8777 B13R1.28 CCCCCCOC1C=CCCC1 34a_100011215024_100000210314 [0,1,0,1,0,0|2,0,0]=4 8778 B13R1.28 CCCCCCOC1C=CCCC1 7a_100000210259_100000751183 [0,1,0,1,0,0|2,0,0]=4 8779 B13R1.28 CCCCCCOC1CC=CCC1 34a_100000073881_100000210314 [0,1,0,1,0,0|1,0,0]=3 8780 B13R1.28 CCCCCCOC1CCCCO1 34a_100000033831_100000210314 [0,1,0,1,0,0|0,0,2]=4 8781 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000210314_100000751183 [0,1,0,1,0,0|2,0,0]=4 8782 B13R1.28 CCCCCCSC1C=CCCC1 62a_100000751183_100000210757 [0,1,0,1,0,0|2,0,0]=4 8783 B13R1.28 CCCCCNCC1CC=CCC1 270004a_100000209983_100000189434 [0,1,0,1,0,0|1,0,0]=3 8784 B13R1.28 CCCCCNCC1CCCCO1 2230a_100000174945_100000210326 [0,1,0,1,0,0|0,0,2]=4 8785 B13R1.28 CCCCCNCC1CCCCO1 2230a_100000209983_100000211543 [0,1,0,1,0,0|0,0,2]=4 8786 B13R1.28 CCCCCNCC1CCCCO1 34a_100000174945_100000718602 [0,1,0,1,0,0|0,0,2]=4 8787 B13R1.28 CCCCCNC[C@H]1COCCO1 2230a_100010981119_100000210326 [0,1,0,1,0,0|1,0,1]=4 8788 B13R1.28 CCCCCNC[C@H]1COCCO1 34a_100010981119_100000718602 [0,1,0,1,0,0|1,0,1]=4 8789 B13R1.28 CCCCCOCC1CC=CCC1 34a_100000210713_100000718602 [0,1,0,1,0,0|1,0,0]=3 8790 B13R1.28 CCCCCOCC1CCC=CO1 34a_100011217868_100000718602 [0,1,0,1,0,0|0,0,2]=4 8791 B13R1.28 CCCCCOCC1CCCCO1 34a_100000210253_100000211543 [0,1,0,1,0,0|0,0,2]=4 8792 B13R1.28 CCCCCOCC1CCCCO1 34a_100000211370_100000718602 [0,1,0,1,0,0|0,0,2]=4 8793 B13R1.28 CCCCCOCC1CCCCO1 7a_100000210253_100000211543 [0,1,0,1,0,0|0,0,2]=4 8794 B13R1.28 CCCCCOCC1CCCCO1 7a_100000211370_100000210326 [0,1,0,1,0,0|0,0,2]=4 8795 B13R1.28 CCCCCOC[C@@H]1CNCCO1 34a_100015189573_100000718602 [0,1,0,1,0,0|1,0,1]=4 8796 B13R1.28 CCCCCOC[C@H]1COCCO1 34a_100009875890_100000718602 [0,1,0,1,0,0|1,0,1]=4 8797 B13R1.28 CCCCCSCC1CCCCO1 62a_100000210326_100000211543 [0,1,0,1,0,0|0,0,2]=4 8798 B13R1.28 CCCCCSCC1CCCCO1 62a_100000211543_100000210326 [0,1,0,1,0,0|0,0,2]=4 8799 B13R1.28 CCCCNCCC1CCCCO1 2230a_100015183643_100000210211 [0,1,0,1,0,0|0,0,2]=4 8800 B13R1.28 CCCCNCCC1CCCCO1 34a_100015183643_100000210210 [0,1,0,1,0,0|0,0,2]=4 8801 B13R1.28 CCCCOCCN1CC=CCC1 2230a_100000698166_100000743108 [0,1,0,1,0,0|2,0,0]=4 8802 B13R1.28 CCCCOCCN1CC=CCC1 269982a_100000698166_100000743108 [0,1,0,1,0,0|2,0,0]=4 8803 B13R1.28 CCCCOCCN1CC=CCC1 34a_100000698166_100000743108 [0,1,0,1,0,0|2,0,0]=4 8804 B13R1.28 CCCCOCOC1CC=CCC1 34a_100000073881_100011995733 [0,1,0,1,0,0|2,0,0]=4 8805 B13R1.28 CCCOCCCC1=CCC=CC1 34a_100020667889_100000210303 [0,1,0,1,0,0|1,0,1]=4 8806 B13R1.28 CCCOCCOC1CC=CCC1 34a_100000073881_100011215938 [0,1,0,1,0,0|2,0,0]=4 8807 B13R1.28 CCNN=CCCC1CCCCC1 4a_100000756455_200000189433 [0,1,0,1,0,0|2,0,0]=4 8808 B13R1.28 CCOCCCOC1CC=CCC1 34a_100000073881_100012232248 [0,1,0,1,0,0|2,0,0]=4 8809 B13R1.28 CCOCCNCC1CC=CCC1 270004a_102516460346_100000189434 [0,1,0,1,0,0|2,0,0]=4 8810 B13R1.28 CCOCCOCC1CC=CCC1 34a_100000210713_100000210147 [0,1,0,1,0,0|2,0,0]=4 8811 B13R1.28 CCSCCNCC1CC=CCC1 270004a_100000106463_100000189434 [0,1,0,1,0,0|2,0,0]=4 8812 B13R1.28 CCSCCOCC1CC=CCC1 34a_100000210713_100000757381 [0,1,0,1,0,0|2,0,0]=4 8813 B13R1.28 COCCCCOC1CC=CCC1 34a_100000073881_100000755781 [0,1,0,1,0,0|2,0,0]=4 8814 B13R1.28 COCCCNCC1CC=CCC1 270004a_100150723488_100000189434 [0,1,0,1,0,0|2,0,0]=4 8815 B13R1.28 COCCCOCC1CC=CCC1 34a_100000210713_100000740836 [0,1,0,1,0,0|2,0,0]=4 8816 B13R1.28 COCCNCCC1CCCCC1 2230a_100000209980_100012355289 [0,1,0,1,0,0|1,0,1]=4 8817 B13R1.28 COCCNCCC1CCCCC1 2230a_100000738074_100011201679 [0,1,0,1,0,0|1,0,1]=4 8818 B13R1.28 COCCNCCC1CCCCC1 270004a_100000209980_100011713444 [0,1,0,1,0,0|1,0,1]=4 8819 B13R1.28 COCCNCCC1CCCCC1 34a_100000738074_100011201679 [0,1,0,1,0,0|1,0,1]=4 8820 B13R1.28 COCCOCCC1CCCCC1 34a_100000210237_100011209188 [0,1,0,1,0,0|1,0,1]=4 8821 B13R1.28 COCCOCCC1CCCCC1 34a_100011217863_100011201679 [0,1,0,1,0,0|1,0,1]=4 8822 B13R1.28 COCCOCCC1CCCCC1 7a_100011217863_100000233755 [0,1,0,1,0,0|1,0,1]=4 8823 B13R1.28 COCCSCCC1CCCCC1 62a_100000233755_100012355289 [0,1,0,1,0,0|1,0,1]=4 8824 B13R1.28 COCCSCCC1CCCCC1 62a_100012355289_100000233755 [0,1,0,1,0,0|1,0,1]=4 8825 B13R1.28 COCNCCCC1CCCCC1 2230a_100011211642_100000766300 [0,1,0,1,0,0|1,0,1]=4 8826 B13R1.28 COCSCCCC1CCCCC1 62a_100000766300_100011713725 [0,1,0,1,0,0|1,0,1]=4 8827 B13R1.28 COCSCCCC1CCCCC1 62a_100011713725_100000766300 [0,1,0,1,0,0|1,0,1]=4 8828 B13R1.28 CSCCCNCC1CC=CCC1 270004a_100000749238_100000189434 [0,1,0,1,0,0|2,0,0]=4 8829 B13R1.28 FCCCCCCN1CC=CCC1 2230a_100000698166_100015922095 [0,1,0,1,0,0|2,0,0]=4 8830 B13R1.28 FCCCCCCN1CC=CCC1 269982a_100000698166_100015922095 [0,1,0,1,0,0|2,0,0]=4 8831 B13R1.28 FCCCCCCN1CC=CCC1 34a_100000698166_100015922095 [0,1,0,1,0,0|2,0,0]=4 8832 B13R1.28 FCCCCCOC1CC=CCC1 34a_100000073881_100000729378 [0,1,0,1,0,0|2,0,0]=4 8833 B13R1.28 FCCCCOCC1CC=CCC1 34a_100000210713_100000729493 [0,1,0,1,0,0|2,0,0]=4 8834 B13R1.28 NOCCOCCC1CCCCC1 34a_100000700252_100011209188 [0,1,0,1,0,0|1,0,1]=4 8835 B13R1.28 OCC#CCNCC1CCCCC1 2230a_100000210473_200000047223 [0,1,0,1,0,0|0,0,2]=4 8836 B13R1.28 OCC#CCNCC1CCCCC1 34a_100000210473_200000047223 [0,1,0,1,0,0|0,0,2]=4 8837 B13R1.28 OCC#CCOCC1CCCCC1 34a_100000212181_200000047223 [0,1,0,1,0,0|0,0,2]=4 8838 B13R1.28 OCC#CCOCC1CCCCC1 7a_100000212181_200000047223 [0,1,0,1,0,0|0,0,2]=4 8839 B13R1.28 OCC#CCSCC1CCCCC1 62a_100000211423_200000047223 [0,1,0,1,0,0|0,0,2]=4 8840 B13R1.28 OCC#CCSCC1CCCCC1 62a_200000047223_100000211423 [0,1,0,1,0,0|0,0,2]=4 8841 B13R1.28 OCCCCCCN1CC=CCC1 2230a_100000698166_100000766143 [0,1,0,1,0,0|2,0,0]=4 8842 B13R1.28 OCCCCCCN1CC=CCC1 269982a_100000698166_100000766143 [0,1,0,1,0,0|2,0,0]=4 8843 B13R1.28 OCCCCCCN1CC=CCC1 34a_100000698166_100000766143 [0,1,0,1,0,0|2,0,0]=4 8844 B13R1.28 OCCCCCNC1CCCCC1 2230a_100000182618_100000746330 [0,1,0,1,0,0|0,0,2]=4 8845 B13R1.28 OCCCCCNC1CCCCC1 270004a_100000762737_100000210434 [0,1,0,1,0,0|0,0,2]=4 8846 B13R1.28 OCCCCCNC1CCCCC1 34a_100000182618_100000746330 [0,1,0,1,0,0|0,0,2]=4 8847 B13R1.28 OCCCCCNC1CCCCC1 34a_100000762737_100000210327 [0,1,0,1,0,0|0,0,2]=4 8848 B13R1.28 OCCCCCOC1CC=CCC1 34a_100000073881_100000746330 [0,1,0,1,0,0|2,0,0]=4 8849 B13R1.28 OCCCCCOC1CCCCC1 34a_100000210231_100000746330 [0,1,0,1,0,0|0,0,2]=4 8850 B13R1.28 OCCCCCOC1CCCCC1 7a_100000210231_100000746330 [0,1,0,1,0,0|0,0,2]=4 8851 B13R1.28 OCCCCCSC1CCCCC1 62a_100000210327_100000746330 [0,1,0,1,0,0|0,0,2]=4 8852 B13R1.28 OCCCCCSC1CCCCC1 62a_100000746330_100000210327 [0,1,0,1,0,0|0,0,2]=4 8853 B13R1.28 OCCCCNCC1CC=CCC1 270004a_100000750430_100000189434 [0,1,0,1,0,0|2,0,0]=4 8854 B13R1.28 OCCCCNCC1CCCCC1 2230a_100000210473_100000210776 [0,1,0,1,0,0|0,0,2]=4 8855 B13R1.28 OCCCCNCC1CCCCC1 2230a_100000750430_100000211423 [0,1,0,1,0,0|0,0,2]=4 8856 B13R1.28 OCCCCNCC1CCCCC1 269862a_100000750430_100000211278 [0,1,0,1,0,0|0,0,2]=4 8857 B13R1.28 OCCCCNCC1CCCCC1 34a_100000210473_100011216708 [0,1,0,1,0,0|0,0,2]=4 8858 B13R1.28 OCCCCNCC1CCCCC1 34a_100000750430_100000211423 [0,1,0,1,0,0|0,0,2]=4 8859 B13R1.28 OCCCCOCC1CC=CCC1 34a_100000210713_100011216708 [0,1,0,1,0,0|2,0,0]=4 8860 B13R1.28 OCCCCOCC1CCCCC1 34a_100000212181_100011216708 [0,1,0,1,0,0|0,0,2]=4 8861 B13R1.28 OCCCCOCC1CCCCC1 7a_100000212181_100000210776 [0,1,0,1,0,0|0,0,2]=4 8862 B13R1.28 OCCCCSCC1CCCCC1 62a_100000210776_100000211423 [0,1,0,1,0,0|0,0,2]=4 8863 B13R1.28 OCCCCSCC1CCCCC1 62a_100000211423_100000210776 [0,1,0,1,0,0|0,0,2]=4 8864 B13R1.28 OCCCNCCC1CCCCC1 2230a_100000738074_100000230001 [0,1,0,1,0,0|0,0,2]=4 8865 B13R1.28 OCCCNCCC1CCCCC1 270004a_100000182051_100011713444 [0,1,0,1,0,0|0,0,2]=4 8866 B13R1.28 OCCCNCCC1CCCCC1 34a_100000738074_100000230001 [0,1,0,1,0,0|0,0,2]=4 8867 B13R1.28 OCCCOCCC1CCCCC1 34a_100011217863_100000230001 [0,1,0,1,0,0|0,0,2]=4 8868 B13R1.28 OCCCOCCC1CCCCC1 7a_100011217863_100011215043 [0,1,0,1,0,0|0,0,2]=4 8869 B13R1.28 OCCCSCCC1CCCCC1 62a_100011215043_100012355289 [0,1,0,1,0,0|0,0,2]=4 8870 B13R1.28 OCCCSCCC1CCCCC1 62a_100012355289_100011215043 [0,1,0,1,0,0|0,0,2]=4 8871 B13R1.28 OCCNCCCC1CCCCC1 2230a_100011211642_100000211926 [0,1,0,1,0,0|0,0,2]=4 8872 B13R1.28 OCCNCCCC1CCCCC1 2230a_100016997473_100011713725 [0,1,0,1,0,0|0,0,2]=4 8873 B13R1.28 OCCNCCCC1CCCCC1 34a_100011211642_100000211926 [0,1,0,1,0,0|0,0,2]=4 8874 B13R1.28 OCCNCCCC1CCCCC1 34a_100016990907_100011713725 [0,1,0,1,0,0|0,0,2]=4 8875 B13R1.28 OCCNCCCN1CCCCC1 2230a_100016997473_100000690320 [0,1,0,1,0,0|1,0,1]=4 8876 B13R1.28 OCCNCCCN1CCCCC1 34a_100016990907_100000690320 [0,1,0,1,0,0|1,0,1]=4 8877 B13R1.28 OCCNCCOC1CCCCC1 2230a_100016997473_100011211530 [0,1,0,1,0,0|1,0,1]=4 8878 B13R1.28 OCCNCCOC1CCCCC1 34a_100015206981_100000211926 [0,1,0,1,0,0|1,0,1]=4 8879 B13R1.28 OCCNCCOC1CCCCC1 34a_100016990907_100011211530 [0,1,0,1,0,0|1,0,1]=4 8880 B13R1.28 OCCOCCCC1CCCCC1 34a_100000198086_100000211926 [0,1,0,1,0,0|0,0,2]=4 8881 B13R1.28 OCCOCCCC1CCCCC1 7a_100000198086_100000211926 [0,1,0,1,0,0|0,0,2]=4 8882 B13R1.28 OCCOCCCC1CCCCN1 34a_100011934581_100000211926 [0,1,0,1,0,0|1,0,1]=4 8883 B13R1.28 OCCOCCCC1CCCNC1 34a_100150707839_100000211926 [0,1,0,1,0,0|1,0,1]=4 8884 B13R1.28 OCCOCCCC1CCNCC1 34a_100016988962_100000211926 [0,1,0,1,0,0|1,0,1]=4 8885 B13R1.28 OCCOCCCN1CCCCC1 34a_100000212458_100000211926 [0,1,0,1,0,0|1,0,1]=4 8886 B13R1.28 OCCOCCNC1CCCCC1 2230a_100000182618_100011215305 [0,1,0,1,0,0|1,0,1]=4 8887 B13R1.28 OCCOCCNC1CCCCC1 270004a_100000211614_100000210434 [0,1,0,1,0,0|1,0,1]=4 8888 B13R1.28 OCCOCCNC1CCCCC1 34a_100000182618_100000692535 [0,1,0,1,0,0|1,0,1]=4 8889 B13R1.28 OCCOCCNC1CCCCC1 34a_100000200466_100000211926 [0,1,0,1,0,0|1,0,1]=4 8890 B13R1.28 OCCOCCNC1CCCCC1 34a_100000211614_100000210327 [0,1,0,1,0,0|1,0,1]=4 8891 B13R1.28 OCCOCCOC1CCCCC1 34a_100000210231_100000692535 [0,1,0,1,0,0|1,0,1]=4 8892 B13R1.28 OCCOCCOC1CCCCC1 34a_100011249652_100000211926 [0,1,0,1,0,0|1,0,1]=4 8893 B13R1.28 OCCOCCOC1CCCCC1 7a_100000210231_100011215305 [0,1,0,1,0,0|1,0,1]=4 8894 B13R1.28 OCCOCCOC1CCCCC1 7a_100011249652_100000211926 [0,1,0,1,0,0|1,0,1]=4 8895 B13R1.28 OCCOCCSC1CCCCC1 62a_100000210327_100011215305 [0,1,0,1,0,0|1,0,1]=4 8896 B13R1.28 OCCOCCSC1CCCCC1 62a_100011215305_100000210327 [0,1,0,1,0,0|1,0,1]=4 8897 B13R1.28 OCCSCCCC1CCCCC1 62a_100000211926_100011713725 [0,1,0,1,0,0|0,0,2]=4 8898 B13R1.28 OCCSCCCC1CCCCC1 62a_100011713725_100000211926 [0,1,0,1,0,0|0,0,2]=4 8899 B13R1.28 OCCSCCCN1CCCCC1 62a_100000211926_100000007876 [0,1,0,1,0,0|1,0,1]=4 8900 B13R1.28 OCCSCCCN1CCCCC1 62a_100132302099_100000211926 [0,1,0,1,0,0|1,0,1]=4 8901 B13R1.28 OCCSCCNC1CCCCC1 270004a_100011219999_100000210434 [0,1,0,1,0,0|1,0,1]=4 8902 B13R1.28 OCCSCCOC1CCCCC1 62a_100000211926_100011211530 [0,1,0,1,0,0|1,0,1]=4 8903 B13R1.28 OCCSCCOC1CCCCC1 62a_100011211530_100000211926 [0,1,0,1,0,0|1,0,1]=4 8904 B13R1.84 CC/C=C\CN1CCCCC1CC 2230a_100000210034_100103147603 [0,1,0,1,0,0|1,0,0]=3 8905 B13R1.84 CC/C=C\CN1CCCCC1CC 269982a_100000210034_100103147603 [0,1,0,1,0,0|1,0,0]=3 8906 B13R1.84 CC/C=C\CN1CCCCC1CC 34a_100000210034_100103147603 [0,1,0,1,0,0|1,0,0]=3 8907 B13R1.84 CC/C=C\CN1CCCCC1CO 2230a_100000210821_100103147603 [0,1,0,1,0,0|2,0,0]=4 8908 B13R1.84 CC/C=C\CN1CCCCC1CO 269982a_100000210821_100103147603 [0,1,0,1,0,0|2,0,0]=4 8909 B13R1.84 CC/C=C\CN1CCCCC1CO 34a_100000210821_100103147603 [0,1,0,1,0,0|2,0,0]=4 8910 B13R1.84 CC/C=C\CN1CCOC[C@@H]1CC 2230a_100016988097_100103147603 [0,1,0,1,0,0|2,0,0]=4 8911 B13R1.84 CC/C=C\CN1CCOC[C@@H]1CC 269982a_100016988097_100103147603 [0,1,0,1,0,0|2,0,0]=4 8912 B13R1.84 CC/C=C\CN1CCOC[C@@H]1CC 34a_100016988097_100103147603 [0,1,0,1,0,0|2,0,0]=4 8913 B13R1.84 CCC1CCCCC1NCCCO 269862a_100000182051_100000757040 [0,1,0,1,0,0|0,0,2]=4 8914 B13R1.84 CCC1CCCCC1NCCCO 270004a_100000182051_100000757040 [0,1,0,1,0,0|0,0,2]=4 8915 B13R1.84 CCC1CCCCC1NCCOC 269862a_100000209980_100000757040 [0,1,0,1,0,0|1,0,1]=4 8916 B13R1.84 CCC1CCCCC1NCCOC 270004a_100000209980_100000757040 [0,1,0,1,0,0|1,0,1]=4 8917 B13R1.84 CCC1CCCCC1OCCCO 34a_100000210738_100000230001 [0,1,0,1,0,0|0,0,2]=4 8918 B13R1.84 CCC1CCCCC1OCCCO 7a_100000210738_100011215043 [0,1,0,1,0,0|0,0,2]=4 8919 B13R1.84 CCC1CCCCC1OCCOC 34a_100000210738_100011201679 [0,1,0,1,0,0|1,0,1]=4 8920 B13R1.84 CCC1CCCCC1OCCOC 7a_100000210738_100000233755 [0,1,0,1,0,0|1,0,1]=4 8921 B13R1.84 CCC1CCCCN1CC#CCO 2230a_100000210034_200000047223 [0,1,0,1,0,0|0,0,2]=4 8922 B13R1.84 CCC1CCCCN1CC#CCO 34a_100000210034_200000047223 [0,1,0,1,0,0|0,0,2]=4 8923 B13R1.84 CCC1CCCCN1CCCCO 2230a_100000210034_100000210776 [0,1,0,1,0,0|0,0,2]=4 8924 B13R1.84 CCC1CCCCN1CCCCO 269982a_100000210034_100000210776 [0,1,0,1,0,0|0,0,2]=4 8925 B13R1.84 CCC1CCCCN1CCCCO 34a_100000210034_100011216708 [0,1,0,1,0,0|0,0,2]=4 8926 B13R1.84 CCCCCN1CCCCC1CO 2230a_100000210821_100000210326 [0,1,0,1,0,0|0,0,2]=4 8927 B13R1.84 CCCCCN1CCCCC1CO 269982a_100000210821_100000210215 [0,1,0,1,0,0|0,0,2]=4 8928 B13R1.84 CCCCCN1CCCCC1CO 34a_100000210821_100000718602 [0,1,0,1,0,0|0,0,2]=4 8929 B13R1.84 CCCCNC1CCCCC1CO 270004a_100000102301_100009861125 [0,1,0,1,0,0|0,0,2]=4 8930 B13R1.84 CCN1CCCCC1CNCCO 2230a_100000754393_100000211926 [0,1,0,1,0,0|1,0,1]=4 8931 B13R1.84 CCN1CCCCC1CNCCO 34a_100000754393_100000211926 [0,1,0,1,0,0|1,0,1]=4 8932 B13R1.84 CCN1CCCCC1COCCO 34a_100000225091_100000211926 [0,1,0,1,0,0|1,0,1]=4 8933 B13R1.84 CCN1CCCCC1COCCO 7a_100000225091_100000211926 [0,1,0,1,0,0|1,0,1]=4 8934 B13R1.137 CC/C=C\CCN1CCCC1CC 2230a_100000754278_100015370543 [0,1,0,1,0,0|1,0,0]=3 8935 B13R1.137 CC/C=C\CCN1CCCC1CC 269982a_100000754278_100015370543 [0,1,0,1,0,0|1,0,0]=3 8936 B13R1.137 CC/C=C\CCN1CCCC1CC 34a_100000754278_100015370543 [0,1,0,1,0,0|1,0,0]=3 8937 B13R1.137 CC/C=C\CCN1CCC[C@@H]1CO 2230a_100000745186_100015370543 [0,1,0,1,0,0|2,0,0]=4 8938 B13R1.137 CC/C=C\CCN1CCC[C@@H]1CO 269982a_100000745186_100015370543 [0,1,0,1,0,0|2,0,0]=4 8939 B13R1.137 CC/C=C\CCN1CCC[C@@H]1CO 34a_100000745186_100015370543 [0,1,0,1,0,0|2,0,0]=4 8940 B13R1.137 CCC1CCCC1NCCCCO 269862a_100000750430_100000749056 [0,1,0,1,0,0|0,0,2]=4 8941 B13R1.137 CCC1CCCC1NCCCCO 270004a_100000750430_100000749056 [0,1,0,1,0,0|0,0,2]=4 8942 B13R1.137 CCC1CCCN1CCCCCO 2230a_100000754278_100000746330 [0,1,0,1,0,0|0,0,2]=4 8943 B13R1.137 CCC1CCCN1CCCCCO 269982a_100000754278_100000746330 [0,1,0,1,0,0|0,0,2]=4 8944 B13R1.137 CCC1CCCN1CCCCCO 34a_100000754278_100000746330 [0,1,0,1,0,0|0,0,2]=4 8945 B13R1.137 CCC1CCCN1CCOCCO 2230a_100000754278_100011215305 [0,1,0,1,0,0|1,0,1]=4 8946 B13R1.137 CCC1CCCN1CCOCCO 269982a_100000754278_100011215305 [0,1,0,1,0,0|1,0,1]=4 8947 B13R1.137 CCC1CCCN1CCOCCO 34a_100000754278_100000692535 [0,1,0,1,0,0|1,0,1]=4 8948 B13R1.137 CCCCCCN1CC=CC1CC 2230a_100000730860_100000210314 [0,1,0,1,0,0|2,0,0]=4 8949 B13R1.137 CCCCCCN1CC=CC1CC 269982a_100000730860_100000210757 [0,1,0,1,0,0|2,0,0]=4 8950 B13R1.137 CCCCCCN1CC=CC1CC 34a_100000730860_100000210314 [0,1,0,1,0,0|2,0,0]=4 8951 B13R1.137 CCCCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210314 [0,1,0,1,0,0|0,0,2]=4 8952 B13R1.137 CCCCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210757 [0,1,0,1,0,0|0,0,2]=4 8953 B13R1.137 CCCCCCN1CCC[C@@H]1CO 34a_100000745186_100000210314 [0,1,0,1,0,0|0,0,2]=4 8954 B13R1.137 CCCCNN=C1CCC=C1CO 4a_100025702795_100000087531 [0,1,0,1,0,0|1,0,1]=4 8955 B13R1.192 CC/C=C\CCN1CCC1COC 2230a_100015195929_100015370543 [0,1,0,1,0,0|2,0,0]=4 8956 B13R1.192 CC/C=C\CCN1CCC1COC 269982a_100015195929_100015370543 [0,1,0,1,0,0|2,0,0]=4 8957 B13R1.192 CC/C=C\CCN1CCC1COC 34a_100015195929_100015370543 [0,1,0,1,0,0|2,0,0]=4 8958 B13R1.485 CCCC1CCCCC1=NNCC 4a_100000756455_100011218038 [0,1,0,1,0,0|2,0,0]=4 8959 B13R1.485 CCCC1CCCCC1NCCO 269862a_100000210304_100011218038 [0,1,0,1,0,0|0,0,2]=4 8960 B13R1.485 CCCC1CCCCC1NCCO 270004a_100000210304_100011218038 [0,1,0,1,0,0|0,0,2]=4 8961 B13R1.485 CCCC1CCCCC1OCCO 34a_100011217265_100000211926 [0,1,0,1,0,0|0,0,2]=4 8962 B13R1.485 CCCC1CCCCC1OCCO 7a_100011217265_100000211926 [0,1,0,1,0,0|0,0,2]=4 8963 B13R1.485 CCCC1CCCCN1CCCO 2230a_100000701414_100000230001 [0,1,0,1,0,0|0,0,2]=4 8964 B13R1.485 CCCC1CCCCN1CCCO 269982a_100000701414_100011215043 [0,1,0,1,0,0|0,0,2]=4 8965 B13R1.485 CCCC1CCCCN1CCCO 34a_100000701414_100000230001 [0,1,0,1,0,0|0,0,2]=4 8966 B13R1.485 CCCC1CCCCN1CCOC 2230a_100000701414_100011201679 [0,1,0,1,0,0|1,0,1]=4 8967 B13R1.485 CCCC1CCCCN1CCOC 269982a_100000701414_100000233755 [0,1,0,1,0,0|1,0,1]=4 8968 B13R1.485 CCCC1CCCCN1CCOC 34a_100000701414_100011201679 [0,1,0,1,0,0|1,0,1]=4 8969 B13R1.485 CCCCN1CCCCC1CCO 2230a_100000211664_100000210211 [0,1,0,1,0,0|0,0,2]=4 8970 B13R1.485 CCCCN1CCCCC1CCO 269982a_100000211664_100000210211 [0,1,0,1,0,0|0,0,2]=4 8971 B13R1.485 CCCCN1CCCCC1CCO 34a_100000211664_100000210210 [0,1,0,1,0,0|0,0,2]=4 8972 B13R1.485 CCCN1CCCCC1CCCO 2230a_100011934581_100000210303 [0,1,0,1,0,0|0,0,2]=4 8973 B13R1.485 CCCN1CCCCC1CCCO 269982a_100011934581_100000210303 [0,1,0,1,0,0|0,0,2]=4 8974 B13R1.485 CCCN1CCCCC1CCCO 34a_100011934581_100000210303 [0,1,0,1,0,0|0,0,2]=4 8975 B13R1.485 CCOC1CCCCC1NCCO 270004a_100000210304_200000031474 [0,1,0,1,0,0|1,0,1]=4 8976 B13R1.485 COCCC1CCCCN1CCO 2230a_100015186528_100000211926 [0,1,0,1,0,0|1,0,1]=4 8977 B13R1.485 COCCC1CCCCN1CCO 269982a_100015186528_100000211926 [0,1,0,1,0,0|1,0,1]=4 8978 B13R1.485 COCCC1CCCCN1CCO 34a_100015186528_100000211926 [0,1,0,1,0,0|1,0,1]=4 8979 B13R1.485 OCCCC1CCCCN1CCO 2230a_100011934581_100000211926 [0,1,0,1,0,0|1,0,1]=4 8980 B13R1.485 OCCCC1CCCCN1CCO 269982a_100011934581_100000211926 [0,1,0,1,0,0|1,0,1]=4 8981 B13R1.485 OCCCC1CCCCN1CCO 34a_100011934581_100000211926 [0,1,0,1,0,0|1,0,1]=4 8982 B13R1.489 CCNN=C1CCCCCCCC1 4a_100000756455_100000038600 [0,1,0,1,0,0|2,0,0]=4 8983 B13R1.489 COCCN1CCCCCCCC1 2230a_100000039187_100011201679 [0,1,0,1,0,0|1,0,1]=4 8984 B13R1.489 COCCN1CCCCCCCC1 269982a_100000039187_100000233755 [0,1,0,1,0,0|1,0,1]=4 8985 B13R1.489 COCCN1CCCCCCCC1 34a_100000039187_100011201679 [0,1,0,1,0,0|1,0,1]=4 8986 B13R1.489 OCCCN1CCCCCCCC1 2230a_100000039187_100000230001 [0,1,0,1,0,0|0,0,2]=4 8987 B13R1.489 OCCCN1CCCCCCCC1 269982a_100000039187_100011215043 [0,1,0,1,0,0|0,0,2]=4 8988 B13R1.489 OCCCN1CCCCCCCC1 34a_100000039187_100000230001 [0,1,0,1,0,0|0,0,2]=4 8989 B13R1.489 OCCNC1CCCCCCCC1 270004a_100000210304_100000038600 [0,1,0,1,0,0|0,0,2]=4 8990 B13R1.555 CC/C=C\CCN1CCCCC1C 2230a_100000211376_100015370543 [0,1,0,1,0,0|1,0,0]=3 8991 B13R1.555 CC/C=C\CCN1CCCCC1C 269982a_100000211376_100015370543 [0,1,0,1,0,0|1,0,0]=3 8992 B13R1.555 CC/C=C\CCN1CCCCC1C 34a_100000211376_100015370543 [0,1,0,1,0,0|1,0,0]=3 8993 B13R1.555 CC/C=C\CCN1CCOC[C@@H]1C 2230a_100009815349_100015370543 [0,1,0,1,0,0|2,0,0]=4 8994 B13R1.555 CC/C=C\CCN1CCOC[C@@H]1C 269982a_100009815349_100015370543 [0,1,0,1,0,0|2,0,0]=4 8995 B13R1.555 CC/C=C\CCN1CCOC[C@@H]1C 34a_100009815349_100015370543 [0,1,0,1,0,0|2,0,0]=4 8996 B13R1.555 CC/C=C\CNC1CCCCC1C 2230a_100000211402_100103147603 [0,1,0,1,0,0|1,0,0]=3 8997 B13R1.555 CC/C=C\CNC1CCCCC1C 34a_100000211402_100103147603 [0,1,0,1,0,0|1,0,0]=3 8998 B13R1.555 CC/C=C\CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100103147603 [0,1,0,1,0,0|2,0,0]=4 8999 B13R1.555 CC/C=C\CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100103147603 [0,1,0,1,0,0|2,0,0]=4 9000 B13R1.555 CC/C=C\COC1CCCCC1C 34a_100000211207_100103147603 [0,1,0,1,0,0|1,0,0]=3 9001 B13R1.555 CC/C=C\COC1CCCCC1C 7a_100000211207_100103147603 [0,1,0,1,0,0|1,0,0]=3 9002 B13R1.555 CC/C=C\COC1CCCCC1Cl 34a_100000038908_100103147603 [0,1,0,1,0,0|2,0,0]=4 9003 B13R1.555 CC/C=C\COC1CCCCC1Cl 7a_100000038908_100103147603 [0,1,0,1,0,0|2,0,0]=4 9004 B13R1.555 CC/C=C\COC1CCCCC1F 34a_100016268518_100015423560 [0,1,0,1,0,0|2,0,0]=4 9005 B13R1.555 CC/C=C\COC1CCCCC1O 34a_100016268518_100000038908 [0,1,0,1,0,0|2,0,0]=4 9006 B13R1.555 CC/C=C\COC1CCNCC1C 34a_100011998114_100103147603 [0,1,0,1,0,0|2,0,0]=4 9007 B13R1.555 CC/C=C\COC1CNCCC1C 34a_100000696640_100103147603 [0,1,0,1,0,0|2,0,0]=4 9008 B13R1.555 CC/C=C\CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100103147603 [0,1,0,1,0,0|2,0,0]=4 9009 B13R1.555 CC/C=C\CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100103147603 [0,1,0,1,0,0|2,0,0]=4 9010 B13R1.555 CC/C=C\CO[C@H]1CCCC[C@H]1N 34a_100015191688_100103147603 [0,1,0,1,0,0|2,0,0]=4 9011 B13R1.555 CC/C=C\CSC1CCCCC1F 62a_100015423560_100103147603 [0,1,0,1,0,0|2,0,0]=4 9012 B13R1.555 CC/C=C\CSC1CCCCC1F 62a_100103147603_100015423560 [0,1,0,1,0,0|2,0,0]=4 9013 B13R1.555 CC/C=C\CSC1CCCCC1O 62a_100000038908_100103147603 [0,1,0,1,0,0|2,0,0]=4 9014 B13R1.555 CC/C=C\CSC1CCCCC1O 62a_100103147603_100000038908 [0,1,0,1,0,0|2,0,0]=4 9015 B13R1.555 CC1CCCCC1NCC#CCO 2230a_100000211402_200000047223 [0,1,0,1,0,0|0,0,2]=4 9016 B13R1.555 CC1CCCCC1NCC#CCO 34a_100000211402_200000047223 [0,1,0,1,0,0|0,0,2]=4 9017 B13R1.555 CC1CCCCC1NCCCCO 2230a_100000211402_100000210776 [0,1,0,1,0,0|0,0,2]=4 9018 B13R1.555 CC1CCCCC1NCCCCO 269862a_100000750430_100000210921 [0,1,0,1,0,0|0,0,2]=4 9019 B13R1.555 CC1CCCCC1NCCCCO 270004a_100000750430_100000210921 [0,1,0,1,0,0|0,0,2]=4 9020 B13R1.555 CC1CCCCC1NCCCCO 34a_100000211402_100011216708 [0,1,0,1,0,0|0,0,2]=4 9021 B13R1.555 CC1CCCCC1OCC#CCO 34a_100000211207_200000047223 [0,1,0,1,0,0|0,0,2]=4 9022 B13R1.555 CC1CCCCC1OCC#CCO 7a_100000211207_200000047223 [0,1,0,1,0,0|0,0,2]=4 9023 B13R1.555 CC1CCCCC1OCCCCO 34a_100000211207_100011216708 [0,1,0,1,0,0|0,0,2]=4 9024 B13R1.555 CC1CCCCC1OCCCCO 7a_100000211207_100000210776 [0,1,0,1,0,0|0,0,2]=4 9025 B13R1.555 CC1CCCCN1CCCCCO 2230a_100000211376_100000746330 [0,1,0,1,0,0|0,0,2]=4 9026 B13R1.555 CC1CCCCN1CCCCCO 269982a_100000211376_100000746330 [0,1,0,1,0,0|0,0,2]=4 9027 B13R1.555 CC1CCCCN1CCCCCO 34a_100000211376_100000746330 [0,1,0,1,0,0|0,0,2]=4 9028 B13R1.555 CC1CCCCN1CCNCCO 2230a_100000739827_100000211926 [0,1,0,1,0,0|1,0,1]=4 9029 B13R1.555 CC1CCCCN1CCNCCO 34a_100000739827_100000211926 [0,1,0,1,0,0|1,0,1]=4 9030 B13R1.555 CC1CCCCN1CCOCCO 2230a_100000211376_100011215305 [0,1,0,1,0,0|1,0,1]=4 9031 B13R1.555 CC1CCCCN1CCOCCO 269982a_100000211376_100011215305 [0,1,0,1,0,0|1,0,1]=4 9032 B13R1.555 CC1CCCCN1CCOCCO 34a_100000211376_100000692535 [0,1,0,1,0,0|1,0,1]=4 9033 B13R1.555 CC1CCCCN1CCOCCO 34a_100011305533_100000211926 [0,1,0,1,0,0|1,0,1]=4 9034 B13R1.555 CCCCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210326 [0,1,0,1,0,0|1,0,1]=4 9035 B13R1.555 CCCCCOC1CCCCC1O 34a_100000210253_100000038908 [0,1,0,1,0,0|0,0,2]=4 9036 B13R1.555 CCCCCSC1CCCCC1O 62a_100000038908_100000210326 [0,1,0,1,0,0|0,0,2]=4 9037 B13R1.555 CCCCCSC1CCCCC1O 62a_100000210326_100000038908 [0,1,0,1,0,0|0,0,2]=4 9038 B13R1.555 CCCCNCC1CC=CCC1C 269862a_100000102301_100000117039 [0,1,0,1,0,0|2,0,0]=4 9039 B13R1.555 CCCCNCC1CC=CCC1C 270004a_100000102301_100000117039 [0,1,0,1,0,0|2,0,0]=4 9040 B13R1.555 CCCCNCC1CCCCC1O 34a_100011216029_100000210210 [0,1,0,1,0,0|0,0,2]=4 9041 B13R1.555 CCCCOCC1CC=CCC1C 34a_100000211322_100000210210 [0,1,0,1,0,0|2,0,0]=4 9042 B13R1.555 CN1CCCCC1CCNCCO 2230a_100016997473_100000211948 [0,1,0,1,0,0|1,0,1]=4 9043 B13R1.555 CN1CCCCC1CCNCCO 34a_100016990907_100000211948 [0,1,0,1,0,0|1,0,1]=4 9044 B13R1.555 CN1CCCCC1CCSCCO 62a_100000211926_100000211948 [0,1,0,1,0,0|1,0,1]=4 9045 B13R1.555 CN1CCCCC1CCSCCO 62a_100000211948_100000211926 [0,1,0,1,0,0|1,0,1]=4 9046 B13R1.559 CC1CC1COCCCCCCO 34a_100000744939_100000766143 [0,1,0,1,0,0|0,0,2]=4 9047 B13R1.559 CC1CC1COCCCCCCO 7a_100000744939_100000766143 [0,1,0,1,0,0|0,0,2]=4 9048 B13R1.560 CC/C=C/CCCOCC1CCC1 34a_100016287902_100000763275 [0,1,0,1,0,0|1,0,0]=3 9049 B13R1.560 CC/C=C/CCCOCC1CCC1 7a_100016287902_100000763275 [0,1,0,1,0,0|1,0,0]=3 9050 B13R1.560 CC/C=C/CCCOCC1CCO1 34a_100016287902_100000103362 [0,1,0,1,0,0|2,0,0]=4 9051 B13R1.560 CC/C=C/CCCOCC1CCO1 7a_100016287902_100000103362 [0,1,0,1,0,0|2,0,0]=4 9052 B13R1.560 CC/C=C/CCCOCC1COC1 34a_100016287902_100010264016 [0,1,0,1,0,0|2,0,0]=4 9053 B13R1.560 CC/C=C/CCCOCC1COC1 7a_100016287902_100010264016 [0,1,0,1,0,0|2,0,0]=4 9054 B13R1.560 CC/C=C\CCCCOC1CCC1 34a_100016287862_100000749161 [0,1,0,1,0,0|1,0,0]=3 9055 B13R1.560 CC/C=C\CCCCOC1COC1 34a_100016287862_100009818527 [0,1,0,1,0,0|2,0,0]=4 9056 B13R1.560 CC/C=C\CCCCOC1COC1 7a_100016287862_100009818527 [0,1,0,1,0,0|2,0,0]=4 9057 B13R1.560 CC/C=C\CCOCCC1COC1 34a_100009855314_100015370543 [0,1,0,1,0,0|2,0,0]=4 9058 B13R1.560 CCCCCCCCNC1COC1 2230a_100016991112_100000210759 [0,1,0,1,0,0|1,0,1]=4 9059 B13R1.560 CCCCCCCCNC1COC1 34a_100000229939_100009818527 [0,1,0,1,0,0|1,0,1]=4 9060 B13R1.560 CCCCCCCCOC1COC1 34a_100000210232_100009818527 [0,1,0,1,0,0|1,0,1]=4 9061 B13R1.560 CCCCCCCCOC1COC1 7a_100000210232_100009818527 [0,1,0,1,0,0|1,0,1]=4 9062 B13R1.560 CCCCCCCCSC1COC1 62a_100000210759_100009818527 [0,1,0,1,0,0|1,0,1]=4 9063 B13R1.560 CCCCCCCNCC1CCO1 2230a_100000229938_100000103362 [0,1,0,1,0,0|0,0,2]=4 9064 B13R1.560 CCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210681 [0,1,0,1,0,0|0,0,2]=4 9065 B13R1.560 CCCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210614 [0,1,0,1,0,0|0,0,2]=4 9066 B13R1.560 CCCCCCCOCC1CCO1 34a_100000039022_100000210614 [0,1,0,1,0,0|0,0,2]=4 9067 B13R1.560 CCCCCCCOCC1CCO1 34a_100000210272_100000103362 [0,1,0,1,0,0|0,0,2]=4 9068 B13R1.560 CCCCCCCOCC1CCO1 7a_100000210272_100000103362 [0,1,0,1,0,0|0,0,2]=4 9069 B13R1.560 CCCCCCCSCC1CCO1 62a_100000103362_100000210316 [0,1,0,1,0,0|0,0,2]=4 9070 B13R1.560 CCCCCCCSCC1CCO1 62a_100000210614_100000103362 [0,1,0,1,0,0|0,0,2]=4 9071 B13R1.560 OCCCCCCCCN1CCC1 269982a_100000754969_100000033203 [0,1,0,1,0,0|0,0,2]=4 9072 B13R1.560 OCCCCCCCNC1CCC1 2230a_100000749019_100000760002 [0,1,0,1,0,0|0,0,2]=4 9073 B13R1.560 OCCCCCCCNC1CCC1 270004a_100011996573_100000241760 [0,1,0,1,0,0|0,0,2]=4 9074 B13R1.560 OCCCCCCCNC1CCC1 34a_100000749019_100000760002 [0,1,0,1,0,0|0,0,2]=4 9075 B13R1.560 OCCCCCCCNC1CCC1 34a_100011996573_100000749161 [0,1,0,1,0,0|0,0,2]=4 9076 B13R1.560 OCCCCCCCOC1CCC1 34a_100000748187_100000760002 [0,1,0,1,0,0|0,0,2]=4 9077 B13R1.560 OCCCCCCCSC1CCC1 62a_100000760002_100000749161 [0,1,0,1,0,0|0,0,2]=4 9078 B13R1.560 OCCCCCCNCC1CCC1 2230a_100000686447_100000763275 [0,1,0,1,0,0|0,0,2]=4 9079 B13R1.560 OCCCCCCNCC1CCC1 2230a_100000738700_100000766143 [0,1,0,1,0,0|0,0,2]=4 9080 B13R1.560 OCCCCCCNCC1CCC1 269862a_100000686447_100000753134 [0,1,0,1,0,0|0,0,2]=4 9081 B13R1.560 OCCCCCCNCC1CCC1 34a_100000686447_100000763275 [0,1,0,1,0,0|0,0,2]=4 9082 B13R1.560 OCCCCCCNCC1CCC1 34a_100000738700_100000766143 [0,1,0,1,0,0|0,0,2]=4 9083 B13R1.560 OCCCCCCOCC1CCC1 34a_100000760304_100000766143 [0,1,0,1,0,0|0,0,2]=4 9084 B13R1.560 OCCCCCCSCC1CCC1 62a_100000763275_100000766143 [0,1,0,1,0,0|0,0,2]=4 9085 B13R1.560 OCCCCCCSCC1CCC1 62a_100000766143_100000763275 [0,1,0,1,0,0|0,0,2]=4 9086 B13R1.579 CCCCC1CCCC1=NNCC 4a_100000756455_100000750825 [0,1,0,1,0,0|2,0,0]=4 9087 B13R1.579 CCCCC1CCCC1NCCO 269862a_100000210304_100000750825 [0,1,0,1,0,0|0,0,2]=4 9088 B13R1.579 CCCCC1CCCC1NCCO 270004a_100000210304_100000750825 [0,1,0,1,0,0|0,0,2]=4 9089 B13R1.659 CC/C=C/CCCOCCC1CC1 34a_100016287902_100000694398 [0,1,0,1,0,0|1,0,0]=3 9090 B13R1.659 CC/C=C/CCCOCCC1CC1 7a_100016287902_100000764125 [0,1,0,1,0,0|1,0,0]=3 9091 B13R1.659 CC/C=C/CCCOCCC1CO1 34a_100016287902_100000732470 [0,1,0,1,0,0|2,0,0]=4 9092 B13R1.659 CC/C=C/CCCOCCC1CO1 7a_100016287902_100000732470 [0,1,0,1,0,0|2,0,0]=4 9093 B13R1.659 CC/C=C\CCCCCOC1CC1 34a_100016268722_100000211595 [0,1,0,1,0,0|1,0,0]=3 9094 B13R1.659 CC/C=C\CCCCOCC1CC1 34a_100016287862_100000742324 [0,1,0,1,0,0|1,0,0]=3 9095 B13R1.659 CC/C=C\CCCCOCC1CC1 7a_100016287862_100000742324 [0,1,0,1,0,0|1,0,0]=3 9096 B13R1.659 CC/C=C\CCCCOCC1CO1 34a_100016287862_102125554688 [0,1,0,1,0,0|2,0,0]=4 9097 B13R1.659 CC/C=C\CCCCOCC1CO1 7a_100016287862_102125554688 [0,1,0,1,0,0|2,0,0]=4 9098 B13R1.659 CC/C=C\CCCCOCC1CS1 7a_100016287862_100000031435 [0,1,0,1,0,0|2,0,0]=4 9099 B13R1.659 CC/C=C\CCCCOC[C@@H]1CO1 7a_100016287862_100000745022 [0,1,0,1,0,0|2,0,0]=4 9100 B13R1.659 CC/C=C\CCOCCCC1CO1 34a_100016288707_100000733510 [0,1,0,1,0,0|2,0,0]=4 9101 B13R1.659 CC/C=C\CCOCCCC1CO1 7a_100016288707_100000733510 [0,1,0,1,0,0|2,0,0]=4 9102 B13R1.659 CC/C=C\CCOCCNC1CC1 34a_100000738766_100015370543 [0,1,0,1,0,0|2,0,0]=4 9103 B13R1.659 CC/C=C\CCSCCCC1CO1 62a_100000733510_100015370543 [0,1,0,1,0,0|2,0,0]=4 9104 B13R1.659 CC/C=C\CCSCCCC1CO1 62a_100015370543_100000733510 [0,1,0,1,0,0|2,0,0]=4 9105 B13R1.659 CCCCCCCCNCC1CO1 2230a_100000229939_100011216344 [0,1,0,1,0,0|0,0,2]=4 9106 B13R1.659 CCCCCCCCNCC1CO1 34a_100000229939_102125554688 [0,1,0,1,0,0|0,0,2]=4 9107 B13R1.659 CCCCCCCCOCC1CO1 34a_100000210232_102125554688 [0,1,0,1,0,0|0,0,2]=4 9108 B13R1.659 CCCCCCCCOCC1CO1 7a_100000210232_102125554688 [0,1,0,1,0,0|0,0,2]=4 9109 B13R1.659 CCCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210759 [0,1,0,1,0,0|0,0,2]=4 9110 B13R1.659 CCCCCCCCOC[C@@H]1CO1 7a_100000210232_100000745022 [0,1,0,1,0,0|0,0,2]=4 9111 B13R1.659 CCCCCCCCSCC1CO1 62a_100000210759_102125554688 [0,1,0,1,0,0|0,0,2]=4 9112 B13R1.659 CCCCCCCCSCC1CO1 62a_102125554688_100000210317 [0,1,0,1,0,0|0,0,2]=4 9113 B13R1.659 CCCCCCCCSC[C@@H]1CO1 62a_100000210759_100000745022 [0,1,0,1,0,0|0,0,2]=4 9114 B13R1.659 CCCCCCCCSC[C@@H]1CO1 62a_100000745022_100000210317 [0,1,0,1,0,0|0,0,2]=4 9115 B13R1.659 CCCCCCCNCCC1CO1 2230a_100000229938_100000732470 [0,1,0,1,0,0|0,0,2]=4 9116 B13R1.659 CCCCCCCOCCC1CO1 34a_100000210272_100000732470 [0,1,0,1,0,0|0,0,2]=4 9117 B13R1.659 CCCCCCCOCCC1CO1 7a_100000210272_100000732470 [0,1,0,1,0,0|0,0,2]=4 9118 B13R1.659 CCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210614 [0,1,0,1,0,0|0,0,2]=4 9119 B13R1.659 CCCCCCCSCCC1CO1 62a_100000210614_100000732470 [0,1,0,1,0,0|0,0,2]=4 9120 B13R1.659 CCCCCCCSCCC1CO1 62a_100000732470_100000210316 [0,1,0,1,0,0|0,0,2]=4 9121 B13R1.659 CCCCCCNCCCC1CO1 2230a_100000210581_100000733510 [0,1,0,1,0,0|0,0,2]=4 9122 B13R1.659 CCCCCCOCCCC1CO1 34a_100000210259_100000733510 [0,1,0,1,0,0|0,0,2]=4 9123 B13R1.659 CCCCCCOCCCC1CO1 7a_100000210259_100000733510 [0,1,0,1,0,0|0,0,2]=4 9124 B13R1.659 CCCCCCSCCCC1CO1 62a_100000210314_100000733510 [0,1,0,1,0,0|0,0,2]=4 9125 B13R1.659 CCCCCCSCCCC1CO1 62a_100000733510_100000210757 [0,1,0,1,0,0|0,0,2]=4 9126 B13R1.659 OCCCCCCCCNC1CC1 34a_100000212008_100000033203 [0,1,0,1,0,0|0,0,2]=4 9127 B13R1.659 OCCCCCCCCNC1CC1 34a_102515433106_100000211595 [0,1,0,1,0,0|0,0,2]=4 9128 B13R1.659 OCCCCCCCCSC1CC1 62a_100000033203_100000211595 [0,1,0,1,0,0|0,0,2]=4 9129 B13R1.659 OCCCCCCCNCC1CC1 2230a_100000735609_100000760002 [0,1,0,1,0,0|0,0,2]=4 9130 B13R1.659 OCCCCCCCNCC1CC1 2230a_100011996573_100000742324 [0,1,0,1,0,0|0,0,2]=4 9131 B13R1.659 OCCCCCCCNCC1CC1 269862a_100011996573_100000741477 [0,1,0,1,0,0|0,0,2]=4 9132 B13R1.659 OCCCCCCCNCC1CC1 34a_100000735609_100000760002 [0,1,0,1,0,0|0,0,2]=4 9133 B13R1.659 OCCCCCCCNCC1CC1 34a_100011996573_100000742324 [0,1,0,1,0,0|0,0,2]=4 9134 B13R1.659 OCCCCCCCOCC1CC1 34a_100000211283_100000760002 [0,1,0,1,0,0|0,0,2]=4 9135 B13R1.659 OCCCCCCCSCC1CC1 62a_100000756562_100000760002 [0,1,0,1,0,0|0,0,2]=4 9136 B13R1.659 OCCCCCCCSCC1CC1 62a_100000760002_100000742324 [0,1,0,1,0,0|0,0,2]=4 9137 B13R1.659 OCCCCCCNCCC1CC1 2230a_100000686447_100000694398 [0,1,0,1,0,0|0,0,2]=4 9138 B13R1.659 OCCCCCCNCCC1CC1 34a_100000686447_100000694398 [0,1,0,1,0,0|0,0,2]=4 9139 B13R1.659 OCCCCCCNCCC1CC1 34a_100000764129_100000766143 [0,1,0,1,0,0|0,0,2]=4 9140 B13R1.659 OCCCCCCOCCC1CC1 34a_100000754188_100000766143 [0,1,0,1,0,0|0,0,2]=4 9141 B13R1.659 OCCCCCCOCCC1CC1 7a_100000754188_100000766143 [0,1,0,1,0,0|0,0,2]=4 9142 B13R1.659 OCCCCCCSCCC1CC1 62a_100000764125_100000766143 [0,1,0,1,0,0|0,0,2]=4 9143 B13R1.659 OCCCCCCSCCC1CC1 62a_100000766143_100000764125 [0,1,0,1,0,0|0,0,2]=4 9144 B13R1.667 CC1CCN1CCCCCCCO 269982a_100000755817_100000760002 [0,1,0,1,0,0|0,0,2]=4 9145 B13R1.667 CC1CCN1CCCCCCCO 34a_100000755817_100000760002 [0,1,0,1,0,0|0,0,2]=4 9146 B13R1.671 CC/C=C\CN1CCC[C@H]1COC 2230a_100020646714_100103147603 [0,1,0,1,0,0|2,0,0]=4 9147 B13R1.671 CC/C=C\CN1CCC[C@H]1COC 269982a_100020646714_100103147603 [0,1,0,1,0,0|2,0,0]=4 9148 B13R1.671 CC/C=C\CN1CCC[C@H]1COC 34a_100020646714_100103147603 [0,1,0,1,0,0|2,0,0]=4 9149 B13R1.671 CCCC1CCCC1NCCCO 269862a_100000182051_100000723119 [0,1,0,1,0,0|0,0,2]=4 9150 B13R1.671 CCCC1CCCC1NCCCO 270004a_100000182051_100000723119 [0,1,0,1,0,0|0,0,2]=4 9151 B13R1.671 CCCC1CCCC1NCCOC 269862a_100000209980_100000723119 [0,1,0,1,0,0|1,0,1]=4 9152 B13R1.671 CCCC1CCCC1NCCOC 270004a_100000209980_100000723119 [0,1,0,1,0,0|1,0,1]=4 9153 B13R1.671 CCCN1CCCC1COCCO 34a_200000694710_100000211926 [0,1,0,1,0,0|1,0,1]=4 9154 B13R1.671 CCCN1CCCC1COCCO 7a_200000694710_100000211926 [0,1,0,1,0,0|1,0,1]=4 9155 B13R1.1150 BrCCCOC1CC/C=C\CCC1 34a_100011217188_100021000466 [0,1,0,1,0,0|2,0,0]=4 9156 B13R1.1150 CC/C=C\CN1CCCCCCC1 2230a_100000211400_100103147603 [0,1,0,1,0,0|1,0,0]=3 9157 B13R1.1150 CC/C=C\CN1CCCCCCC1 269982a_100000211400_100103147603 [0,1,0,1,0,0|1,0,0]=3 9158 B13R1.1150 CC/C=C\CN1CCCCCCC1 34a_100000211400_100103147603 [0,1,0,1,0,0|1,0,0]=3 9159 B13R1.1150 CCCCNC1CC/C=C\CCC1 7a_106832991798_100021000466 [0,1,0,1,0,0|1,0,0]=3 9160 B13R1.1150 CCCCOC1CC/C=C\CCC1 34a_100000210227_100021000466 [0,1,0,1,0,0|1,0,0]=3 9161 B13R1.1150 CCCCOC1CC/C=C\CCC1 34a_100016989180_100000210210 [0,1,0,1,0,0|1,0,0]=3 9162 B13R1.1150 CCCCOC1CC/C=C\CCC1 7a_100000210227_100021000466 [0,1,0,1,0,0|1,0,0]=3 9163 B13R1.1150 CCCCSC1CC/C=C\CCC1 62a_100000210211_100021000466 [0,1,0,1,0,0|1,0,0]=3 9164 B13R1.1150 CCCCSC1CC/C=C\CCC1 62a_100021000466_100000210210 [0,1,0,1,0,0|1,0,0]=3 9165 B13R1.1150 CCCNCC1CC/C=C\CCC1 2230a_100102730862_100000210303 [0,1,0,1,0,0|1,0,0]=3 9166 B13R1.1150 CCCNCC1CC/C=C\CCC1 34a_100102730862_100000210303 [0,1,0,1,0,0|1,0,0]=3 9167 B13R1.1150 CCNN=CC1CCCCCCC1 4a_100000756455_100000765718 [0,1,0,1,0,0|2,0,0]=4 9168 B13R1.1150 CCOCSC1CC/C=C\CCC1 62a_100000739092_100021000466 [0,1,0,1,0,0|2,0,0]=4 9169 B13R1.1150 CCOCSC1CC/C=C\CCC1 62a_100021000466_100000739092 [0,1,0,1,0,0|2,0,0]=4 9170 B13R1.1150 COCCNC1CCCCCCC1 2230a_100000211152_100011201679 [0,1,0,1,0,0|1,0,1]=4 9171 B13R1.1150 COCCNC1CCCCCCC1 270004a_100000209980_100000210524 [0,1,0,1,0,0|1,0,1]=4 9172 B13R1.1150 COCCNC1CCCCCCC1 34a_100000211152_100011201679 [0,1,0,1,0,0|1,0,1]=4 9173 B13R1.1150 COCCOC1CC/C=C\CCC1 34a_100000210237_100021000466 [0,1,0,1,0,0|2,0,0]=4 9174 B13R1.1150 COCCOC1CC/C=C\CCC1 34a_100016989180_100011201679 [0,1,0,1,0,0|2,0,0]=4 9175 B13R1.1150 COCCOC1CCCCCCC1 34a_100000210054_100011201679 [0,1,0,1,0,0|1,0,1]=4 9176 B13R1.1150 COCCOC1CCCCCCC1 7a_100000210054_100000233755 [0,1,0,1,0,0|1,0,1]=4 9177 B13R1.1150 COCCSC1CC/C=C\CCC1 62a_100000233755_100021000466 [0,1,0,1,0,0|2,0,0]=4 9178 B13R1.1150 COCCSC1CC/C=C\CCC1 62a_100021000466_100000233755 [0,1,0,1,0,0|2,0,0]=4 9179 B13R1.1150 COCNCC1CC/C=C\CCC1 2230a_100102730862_100000766300 [0,1,0,1,0,0|2,0,0]=4 9180 B13R1.1150 CSCCOC1CC/C=C\CCC1 34a_100000230434_100021000466 [0,1,0,1,0,0|2,0,0]=4 9181 B13R1.1150 CSCCOC1CC/C=C\CCC1 34a_100016989180_100000212216 [0,1,0,1,0,0|2,0,0]=4 9182 B13R1.1150 CSCCOC1CC/C=C\CCC1 7a_100000230434_100021000466 [0,1,0,1,0,0|2,0,0]=4 9183 B13R1.1150 CSCCSC1CC/C=C\CCC1 62a_100000212216_100021000466 [0,1,0,1,0,0|2,0,0]=4 9184 B13R1.1150 CSCCSC1CC/C=C\CCC1 62a_100021000466_100000751147 [0,1,0,1,0,0|2,0,0]=4 9185 B13R1.1150 CSCNCC1CC/C=C\CCC1 2230a_100102730862_100011218213 [0,1,0,1,0,0|2,0,0]=4 9186 B13R1.1150 CSCNCC1CC/C=C\CCC1 34a_100102730862_100011218213 [0,1,0,1,0,0|2,0,0]=4 9187 B13R1.1150 ClCCCOC1CC/C=C\CCC1 34a_100000230001_100021000466 [0,1,0,1,0,0|2,0,0]=4 9188 B13R1.1150 FCCCNC1CC/C=C\CCC1 34a_100015189416_100021000466 [0,1,0,1,0,0|2,0,0]=4 9189 B13R1.1150 FCCCOC1CC/C=C\CCC1 34a_100000759539_100021000466 [0,1,0,1,0,0|2,0,0]=4 9190 B13R1.1150 FCCCOC1CC/C=C\CCC1 34a_100016989180_100011934791 [0,1,0,1,0,0|2,0,0]=4 9191 B13R1.1150 FCCCSC1CC/C=C\CCC1 62a_100011934791_100021000466 [0,1,0,1,0,0|2,0,0]=4 9192 B13R1.1150 FCCCSC1CC/C=C\CCC1 62a_100021000466_100011934791 [0,1,0,1,0,0|2,0,0]=4 9193 B13R1.1150 FCCNCC1CC/C=C\CCC1 2230a_100102730862_100011217306 [0,1,0,1,0,0|2,0,0]=4 9194 B13R1.1150 FCCNCC1CC/C=C\CCC1 34a_100102730862_100011217306 [0,1,0,1,0,0|2,0,0]=4 9195 B13R1.1150 NCCCOC1CC/C=C\CCC1 34a_100000182051_100021000466 [0,1,0,1,0,0|2,0,0]=4 9196 B13R1.1150 OCC#CCN1CCCCCCC1 2230a_100000211400_200000047223 [0,1,0,1,0,0|0,0,2]=4 9197 B13R1.1150 OCC#CCN1CCCCCCC1 34a_100000211400_200000047223 [0,1,0,1,0,0|0,0,2]=4 9198 B13R1.1150 OCCCCN1CCCCCCC1 2230a_100000211400_100000210776 [0,1,0,1,0,0|0,0,2]=4 9199 B13R1.1150 OCCCCN1CCCCCCC1 269982a_100000211400_100000210776 [0,1,0,1,0,0|0,0,2]=4 9200 B13R1.1150 OCCCCN1CCCCCCC1 34a_100000211400_100011216708 [0,1,0,1,0,0|0,0,2]=4 9201 B13R1.1150 OCCCNC1CCCCCCC1 2230a_100000211152_100000230001 [0,1,0,1,0,0|0,0,2]=4 9202 B13R1.1150 OCCCNC1CCCCCCC1 270004a_100000182051_100000210524 [0,1,0,1,0,0|0,0,2]=4 9203 B13R1.1150 OCCCNC1CCCCCCC1 34a_100000211152_100000230001 [0,1,0,1,0,0|0,0,2]=4 9204 B13R1.1150 OCCCOC1CC/C=C\CCC1 34a_100016989180_100000230001 [0,1,0,1,0,0|2,0,0]=4 9205 B13R1.1150 OCCCOC1CCCCCCC1 34a_100000210054_100000230001 [0,1,0,1,0,0|0,0,2]=4 9206 B13R1.1150 OCCCOC1CCCCCCC1 7a_100000210054_100011215043 [0,1,0,1,0,0|0,0,2]=4 9207 B13R1.1150 OCCCSC1CC/C=C\CCC1 62a_100011215043_100021000466 [0,1,0,1,0,0|2,0,0]=4 9208 B13R1.1150 OCCCSC1CC/C=C\CCC1 62a_100021000466_100011215043 [0,1,0,1,0,0|2,0,0]=4 9209 B13R1.1150 OCCNCC1CC/C=C\CCC1 2230a_100102730862_100000211926 [0,1,0,1,0,0|2,0,0]=4 9210 B13R1.1150 OCCNCC1CC/C=C\CCC1 34a_100102730862_100000211926 [0,1,0,1,0,0|2,0,0]=4 9211 B13R1.1150 OCCOCC1CCCCCCC1 34a_100011216312_100000211926 [0,1,0,1,0,0|0,0,2]=4 9212 B13R1.1150 OCCOCC1CCCCCCC1 7a_100011216312_100000211926 [0,1,0,1,0,0|0,0,2]=4 9213 B13R1.1887 CC/C=C\CCN1CCCCCC1 2230a_100000185865_100015370543 [0,1,0,1,0,0|1,0,0]=3 9214 B13R1.1887 CC/C=C\CCN1CCCCCC1 269982a_100000185865_100015370543 [0,1,0,1,0,0|1,0,0]=3 9215 B13R1.1887 CC/C=C\CCN1CCCCCC1 34a_100000185865_100015370543 [0,1,0,1,0,0|1,0,0]=3 9216 B13R1.1887 CC/C=C\CCN1CCCOCC1 2230a_100000685342_100015370543 [0,1,0,1,0,0|2,0,0]=4 9217 B13R1.1887 CC/C=C\CCN1CCCOCC1 269982a_100000685342_100015370543 [0,1,0,1,0,0|2,0,0]=4 9218 B13R1.1887 CC/C=C\CCN1CCCOCC1 34a_100000685342_100015370543 [0,1,0,1,0,0|2,0,0]=4 9219 B13R1.1887 CC/C=C\CNC1CCCCCC1 2230a_100000210984_100103147603 [0,1,0,1,0,0|1,0,0]=3 9220 B13R1.1887 CC/C=C\CNC1CCCCCC1 34a_100000210984_100103147603 [0,1,0,1,0,0|1,0,0]=3 9221 B13R1.1887 CC/C=C\COC1CCCCCC1 34a_100000210887_100103147603 [0,1,0,1,0,0|1,0,0]=3 9222 B13R1.1887 CC/C=C\COC1CCCCCC1 34a_100016268518_100011217769 [0,1,0,1,0,0|1,0,0]=3 9223 B13R1.1887 CC/C=C\COC1CCCCCC1 7a_100000210887_100103147603 [0,1,0,1,0,0|1,0,0]=3 9224 B13R1.1887 CC/C=C\CSC1CCCCCC1 62a_100011217769_100103147603 [0,1,0,1,0,0|1,0,0]=3 9225 B13R1.1887 CC/C=C\CSC1CCCCCC1 62a_100103147603_100011217769 [0,1,0,1,0,0|1,0,0]=3 9226 B13R1.1887 COCCNCC1CCCCCC1 2230a_100000209980_200000696569 [0,1,0,1,0,0|1,0,1]=4 9227 B13R1.1887 COCCNCC1CCCCCC1 2230a_100015204231_100011201679 [0,1,0,1,0,0|1,0,1]=4 9228 B13R1.1887 COCCNCC1CCCCCC1 269862a_100000209980_200000763224 [0,1,0,1,0,0|1,0,1]=4 9229 B13R1.1887 COCCNCC1CCCCCC1 34a_100015204231_100011201679 [0,1,0,1,0,0|1,0,1]=4 9230 B13R1.1887 COCCOCC1CCCCCC1 34a_100000210237_200000696569 [0,1,0,1,0,0|1,0,1]=4 9231 B13R1.1887 COCCOCC1CCCCCC1 34a_100000699130_100011201679 [0,1,0,1,0,0|1,0,1]=4 9232 B13R1.1887 COCCOCC1CCCCCC1 7a_100000699130_100000233755 [0,1,0,1,0,0|1,0,1]=4 9233 B13R1.1887 COCCSCC1CCCCCC1 62a_100000233755_200000696569 [0,1,0,1,0,0|1,0,1]=4 9234 B13R1.1887 COCCSCC1CCCCCC1 62a_200000696569_100000233755 [0,1,0,1,0,0|1,0,1]=4 9235 B13R1.1887 COCNCCC1CCCCCC1 2230a_100011532351_100000766300 [0,1,0,1,0,0|1,0,1]=4 9236 B13R1.1887 NOCCOCC1CCCCCC1 34a_100000700252_200000696569 [0,1,0,1,0,0|1,0,1]=4 9237 B13R1.1887 OCC#CCNC1CCCCCC1 2230a_100000210984_200000047223 [0,1,0,1,0,0|0,0,2]=4 9238 B13R1.1887 OCC#CCNC1CCCCCC1 34a_100000210984_200000047223 [0,1,0,1,0,0|0,0,2]=4 9239 B13R1.1887 OCC#CCOC1CCCCCC1 34a_100000210887_200000047223 [0,1,0,1,0,0|0,0,2]=4 9240 B13R1.1887 OCC#CCOC1CCCCCC1 7a_100000210887_200000047223 [0,1,0,1,0,0|0,0,2]=4 9241 B13R1.1887 OCC#CCSC1CCCCCC1 62a_100011217769_200000047223 [0,1,0,1,0,0|0,0,2]=4 9242 B13R1.1887 OCC#CCSC1CCCCCC1 62a_200000047223_100011217769 [0,1,0,1,0,0|0,0,2]=4 9243 B13R1.1887 OCCCCCN1CCCCCC1 2230a_100000185865_100000746330 [0,1,0,1,0,0|0,0,2]=4 9244 B13R1.1887 OCCCCCN1CCCCCC1 269982a_100000185865_100000746330 [0,1,0,1,0,0|0,0,2]=4 9245 B13R1.1887 OCCCCCN1CCCCCC1 34a_100000185865_100000746330 [0,1,0,1,0,0|0,0,2]=4 9246 B13R1.1887 OCCCCNC1CCCCCC1 2230a_100000210984_100000210776 [0,1,0,1,0,0|0,0,2]=4 9247 B13R1.1887 OCCCCNC1CCCCCC1 270004a_100000750430_100000210131 [0,1,0,1,0,0|0,0,2]=4 9248 B13R1.1887 OCCCCNC1CCCCCC1 34a_100000210984_100011216708 [0,1,0,1,0,0|0,0,2]=4 9249 B13R1.1887 OCCCCNC1CCCCCC1 34a_100000750430_100011217769 [0,1,0,1,0,0|0,0,2]=4 9250 B13R1.1887 OCCCCOC1CCCCCC1 34a_100000210887_100011216708 [0,1,0,1,0,0|0,0,2]=4 9251 B13R1.1887 OCCCCOC1CCCCCC1 7a_100000210887_100000210776 [0,1,0,1,0,0|0,0,2]=4 9252 B13R1.1887 OCCCCSC1CCCCCC1 62a_100000210776_100011217769 [0,1,0,1,0,0|0,0,2]=4 9253 B13R1.1887 OCCCCSC1CCCCCC1 62a_100011217769_100000210776 [0,1,0,1,0,0|0,0,2]=4 9254 B13R1.1887 OCCCNCC1CCCCCC1 2230a_100015204231_100000230001 [0,1,0,1,0,0|0,0,2]=4 9255 B13R1.1887 OCCCNCC1CCCCCC1 269862a_100000182051_200000763224 [0,1,0,1,0,0|0,0,2]=4 9256 B13R1.1887 OCCCNCC1CCCCCC1 34a_100015204231_100000230001 [0,1,0,1,0,0|0,0,2]=4 9257 B13R1.1887 OCCCOCC1CCCCCC1 34a_100000699130_100000230001 [0,1,0,1,0,0|0,0,2]=4 9258 B13R1.1887 OCCCOCC1CCCCCC1 7a_100000699130_100011215043 [0,1,0,1,0,0|0,0,2]=4 9259 B13R1.1887 OCCCSCC1CCCCCC1 62a_100011215043_200000696569 [0,1,0,1,0,0|0,0,2]=4 9260 B13R1.1887 OCCCSCC1CCCCCC1 62a_200000696569_100011215043 [0,1,0,1,0,0|0,0,2]=4 9261 B13R1.1887 OCCNCCC1CCCCCC1 2230a_100011532351_100000211926 [0,1,0,1,0,0|0,0,2]=4 9262 B13R1.1887 OCCNCCC1CCCCCC1 34a_100011532351_100000211926 [0,1,0,1,0,0|0,0,2]=4 9263 B13R1.1887 OCCOCCN1CCCCCC1 2230a_100000185865_100011215305 [0,1,0,1,0,0|1,0,1]=4 9264 B13R1.1887 OCCOCCN1CCCCCC1 269982a_100000185865_100011215305 [0,1,0,1,0,0|1,0,1]=4 9265 B13R1.1887 OCCOCCN1CCCCCC1 34a_100000185865_100000692535 [0,1,0,1,0,0|1,0,1]=4 9266 B13R1.1887 OCCOCCN1CCCCCC1 34a_100000238007_100000211926 [0,1,0,1,0,0|1,0,1]=4 9267 B13R1.1887 OCCSCCN1CCCCCC1 62a_100000211926_100000722644 [0,1,0,1,0,0|1,0,1]=4 9268 B13R1.1887 OCCSCCN1CCCCCC1 62a_100000722644_100000211926 [0,1,0,1,0,0|1,0,1]=4 9269 B13R1.24 CC/C=C/CC(=O)C1CCCCC1 1458a_100016274230_100000210327 [0,1,0,1,0,0|1,0,1]=4 9270 B13R1.24 CC/C=C\CC(=O)C1CCCCC1 1458a_100000210647_100103147603 [0,1,0,1,0,0|1,0,1]=4 9271 B13R1.24 CC/C=C\CN(C)C1CCCCC1 2230a_100000207522_100103147603 [0,1,0,1,0,0|2,0,0]=4 9272 B13R1.24 CC/C=C\CN(C)C1CCCCC1 269982a_100000207522_100103147603 [0,1,0,1,0,0|2,0,0]=4 9273 B13R1.24 CC/C=C\CN(C)C1CCCCC1 34a_100000207522_100103147603 [0,1,0,1,0,0|2,0,0]=4 9274 B13R1.24 CCCCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210326 [0,1,0,1,0,0|1,0,1]=4 9275 B13R1.24 CCCCCC(C)N1CC=CCC1 2230a_100000698166_200011218191 [0,1,0,1,0,0|2,0,0]=4 9276 B13R1.24 CCCCCC(C)N1CC=CCC1 269982a_100000698166_200011218191 [0,1,0,1,0,0|2,0,0]=4 9277 B13R1.24 CCCCCC(C)N1CC=CCC1 270004a_100000698166_100000211708 [0,1,0,1,0,0|2,0,0]=4 9278 B13R1.24 CCCCCC(C)N1CC=CCC1 34a_100000698166_200011218191 [0,1,0,1,0,0|2,0,0]=4 9279 B13R1.24 N[C@@H](COCCO)C1CCCCC1 34a_100009817630_100000211926 [0,1,0,1,0,0|1,0,1]=4 9280 B13R1.48 CC/C=C\CCC(=O)C1CCCC1 1458a_100000210718_100015370543 [0,1,0,1,0,0|1,0,1]=4 9281 B13R1.48 CC/C=C\CCN(C)C1CCCC1 2230a_100000207505_100015370543 [0,1,0,1,0,0|2,0,0]=4 9282 B13R1.48 CC/C=C\CCN(C)C1CCCC1 269982a_100000207505_100015370543 [0,1,0,1,0,0|2,0,0]=4 9283 B13R1.48 CC/C=C\CCN(C)C1CCCC1 34a_100000207505_100015370543 [0,1,0,1,0,0|2,0,0]=4 9284 B13R1.48 CC/C=C\CNC(C)C1CCCC1 2230a_100015185923_100103147603 [0,1,0,1,0,0|2,0,0]=4 9285 B13R1.48 CC/C=C\CNC(C)C1CCCC1 34a_100015185923_100103147603 [0,1,0,1,0,0|2,0,0]=4 9286 B13R1.48 CC/C=C\COC(C)C1CCCC1 34a_100011216366_100103147603 [0,1,0,1,0,0|2,0,0]=4 9287 B13R1.48 CC/C=C\COC(C)C1CCCC1 7a_100011216366_100103147603 [0,1,0,1,0,0|2,0,0]=4 9288 B13R1.156 CC/C=C/CC(=O)CC1CCCC1 1458a_100016274230_100000740388 [0,1,0,1,0,0|1,0,1]=4 9289 B13R1.156 CC/C=C\CC(=O)CC1CCCC1 1458a_100000210891_100103147603 [0,1,0,1,0,0|1,0,1]=4 9290 B13R1.156 CCCCCC(=O)CC1C=CCC1 1458a_100000212241_100000210326 [0,1,0,1,0,0|1,0,1]=4 9291 B13R1.156 CCCCNC(C)CC1C=CCC1 270004a_100000102301_100000116859 [0,1,0,1,0,0|2,0,0]=4 9292 B13R1.725 CC/C=C\CC(=O)C1CCCC1C 1458a_100000690547_100103147603 [0,1,0,1,0,0|1,0,1]=4 9293 B13R1.1148 CC/C=C\CN1CCCCC(C1)O 2230a_100025706797_100103147603 [0,1,0,1,0,0|2,0,0]=4 9294 B13R1.1148 CC/C=C\CN1CCCCC(C1)O 269982a_100025706797_100103147603 [0,1,0,1,0,0|2,0,0]=4 9295 B13R1.2914 CC/C=C\CCC(=O)C1CC1CC 1458a_200011661523_100015370543 [0,1,0,1,0,0|1,0,1]=4 9296 B13R1.2916 CC/C=C\CCC(=O)CC1CCC1 1458a_100000763092_100015370543 [0,1,0,1,0,0|1,0,1]=4 9297 B13R1.2916 CC/C=C\CCN(C)CC1CCC1 2230a_200000750244_100015370543 [0,1,0,1,0,0|2,0,0]=4 9298 B13R1.2916 CC/C=C\CCN(C)CC1CCC1 269982a_200000750244_100015370543 [0,1,0,1,0,0|2,0,0]=4 9299 B13R1.2916 CC/C=C\CCN(C)CC1CCC1 34a_200000750244_100015370543 [0,1,0,1,0,0|2,0,0]=4 9300 B13R1.2917 CC/C=C\CCC(=O)CCC1CC1 1458a_100000756386_100015370543 [0,1,0,1,0,0|1,0,1]=4 9301 B13R1.3674 CC/C=C\CNC1(CCCCC1)C 2230a_100000741114_100103147603 [0,1,0,1,0,0|2,0,0]=4 9302 B13R1.3674 CC/C=C\CNC1(CCCCC1)C 34a_100000741114_100103147603 [0,1,0,1,0,0|2,0,0]=4 9303 B13R1.3674 CC/C=C\COC1(CCCCC1)C 34a_100011215885_100103147603 [0,1,0,1,0,0|2,0,0]=4 9304 B13R1.3674 CC/C=C\COC1(CCCCC1)C 7a_100011215885_100103147603 [0,1,0,1,0,0|2,0,0]=4 9305 B13R1.3674 CCCCOCC1(CC=CCC1)C 34a_200000074738_100000210210 [0,1,0,1,0,0|2,0,0]=4 9306 B13R1.3674 OCCNCCC1(CCCCC1)O 2230a_100102740465_100000211926 [0,1,0,1,0,0|1,0,1]=4 9307 B13R1.3674 OCCNCCC1(CCCCC1)O 34a_100102740465_100000211926 [0,1,0,1,0,0|1,0,1]=4 9308 B13R1.8919 CC/C=C\CN1C(CCCC1C)C 2230a_100000210447_100103147603 [0,1,0,1,0,0|2,0,0]=4 9309 B13R1.8919 CC/C=C\CN1C(CCCC1C)C 269982a_100000210447_100103147603 [0,1,0,1,0,0|2,0,0]=4 9310 B13R1.8919 CC/C=C\CN1C(CCCC1C)C 34a_100000210447_100103147603 [0,1,0,1,0,0|2,0,0]=4 9311 B13R1.27 CC/C=C\CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100015370543 [0,1,0,1,0,0|2,0,0]=4 9312 B13R1.27 CC/C=C\CCOC1CCC(C1)C 34a_100000698185_100015370543 [0,1,0,1,0,0|2,0,0]=4 9313 B13R1.27 CCCCCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000718602 [0,1,0,1,0,0|2,0,0]=4 9314 B13R1.44 CC(CC1CCCCC1)NCCO 270004a_100000210304_100011215996 [0,1,0,1,0,0|1,0,1]=4 9315 B13R1.44 CCC=CC(=O)CC1CCCCC1 1458a_100000212282_100000211423 [0,1,0,1,0,0|1,0,1]=4 9316 B13R1.44 CCCCC(C)OC1CC=CCC1 34a_100000073881_200011215066 [0,1,0,1,0,0|2,0,0]=4 9317 B13R1.44 CCCCN(C)CC1CC=CCC1 270004a_100000207549_100000189434 [0,1,0,1,0,0|2,0,0]=4 9318 B13R1.153 CCC=CC(=O)CCC1CCCC1 1458a_100000212282_100000760354 [0,1,0,1,0,0|1,0,1]=4 9319 B13R1.1133 CC/C=C\CCN1C(CCC1C)C 2230a_100000687148_100015370543 [0,1,0,1,0,0|2,0,0]=4 9320 B13R1.1133 CC/C=C\CCN1C(CCC1C)C 269982a_100000687148_100015370543 [0,1,0,1,0,0|2,0,0]=4 9321 B13R1.1133 CC/C=C\CCN1C(CCC1C)C 34a_100000687148_100015370543 [0,1,0,1,0,0|2,0,0]=4 9322 B13R1.2436 CC/C=C\CCOC1(CCCC1)C 34a_100000751722_100015370543 [0,1,0,1,0,0|2,0,0]=4 9323 B13R1.2436 CC/C=C\CCOC1(CCCC1)C 7a_100000751722_100015370543 [0,1,0,1,0,0|2,0,0]=4 9324 B13R1.2436 CC/C=C\CNCC1(CCCC1)O 2230a_100000737848_100103147603 [0,1,0,1,0,0|2,0,0]=4 9325 B13R1.2436 CC/C=C\COCC1(CCCC1)N 34a_100000749328_100103147603 [0,1,0,1,0,0|2,0,0]=4 9326 B13R1.2488 CCC=CC(=O)C1CCCCCC1 1458a_100000212282_100011217769 [0,1,0,1,0,0|1,0,1]=4 9327 B13R1.2488 CCCCC(=O)C1CCC=CCC1 1458a_100000048548_100000210211 [0,1,0,1,0,0|1,0,1]=4 9328 B13R1.3572 CC/C=C\CCNC(C)C1CCC1 2230a_100016994624_100015370543 [0,1,0,1,0,0|2,0,0]=4 9329 B13R1.3572 CC/C=C\CCNC(C)C1CCC1 34a_100016994624_100015370543 [0,1,0,1,0,0|2,0,0]=4 9330 B13R1.3572 CC/C=C\CCOC(C)C1CCC1 34a_100000766398_100015370543 [0,1,0,1,0,0|2,0,0]=4 9331 B13R1.3572 CC/C=C\CCOC(C)C1CCC1 7a_100000766398_100015370543 [0,1,0,1,0,0|2,0,0]=4 9332 B13R1.90 CCC1CCCCC1NCC(C)O 269862a_100000210904_100000757040 [0,1,0,1,0,0|1,0,1]=4 9333 B13R1.90 CCC1CCCCC1NCC(C)O 270004a_100000210904_100000757040 [0,1,0,1,0,0|1,0,1]=4 9334 B13R1.90 CCC1CCCCC1OCC(C)O 34a_100000210738_100011218427 [0,1,0,1,0,0|1,0,1]=4 9335 B13R1.90 CCC1CCCCC1OCC(C)O 7a_100000210738_100011218427 [0,1,0,1,0,0|1,0,1]=4 9336 B13R1.90 CCC1CCCCC1OC[C@@H](C)O 34a_100000210738_100009817552 [0,1,0,1,0,0|1,0,1]=4 9337 B13R1.90 CCC1CCCCC1OC[C@@H](C)O 7a_100000210738_100009817552 [0,1,0,1,0,0|1,0,1]=4 9338 B13R1.103 CCC1CCCN1C/C=C/B(O)O 2230a_100000754278_100016262062 [0,1,0,1,0,0|2,0,0]=4 9339 B13R1.103 CCC1CCCN1C/C=C/B(O)O 269982a_100000754278_100016262062 [0,1,0,1,0,0|2,0,0]=4 9340 B13R1.103 CCC1CCCN1C/C=C/B(O)O 34a_100000754278_100016262062 [0,1,0,1,0,0|2,0,0]=4 9341 B13R1.158 CC1CCCCN1C/C=C/B(O)O 2230a_100000211376_100016262062 [0,1,0,1,0,0|2,0,0]=4 9342 B13R1.158 CC1CCCCN1C/C=C/B(O)O 269982a_100000211376_100016262062 [0,1,0,1,0,0|2,0,0]=4 9343 B13R1.158 CC1CCCCN1C/C=C/B(O)O 34a_100000211376_100016262062 [0,1,0,1,0,0|2,0,0]=4 9344 B13R1.167 CC1CCCC1OC/C=C/B(O)O 34a_100011216460_100016262062 [0,1,0,1,0,0|2,0,0]=4 9345 B13R1.167 CC1CCCC1OC/C=C/B(O)O 7a_100011216460_100016262062 [0,1,0,1,0,0|2,0,0]=4 9346 B13R1.193 CC/C=C\CCN1CCCC1(C)C 2230a_100000761399_100015370543 [0,1,0,1,0,0|2,0,0]=4 9347 B13R1.193 CC/C=C\CCN1CCCC1(C)C 269982a_100000761399_100015370543 [0,1,0,1,0,0|2,0,0]=4 9348 B13R1.193 CC/C=C\CCN1CCCC1(C)C 34a_100000761399_100015370543 [0,1,0,1,0,0|2,0,0]=4 9349 B13R1.193 CC/C=C\CN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100103147603 [0,1,0,1,0,0|2,0,0]=4 9350 B13R1.193 CC/C=C\CN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100103147603 [0,1,0,1,0,0|2,0,0]=4 9351 B13R1.193 CC/C=C\COC1CCCC1(C)C 34a_100000726220_100103147603 [0,1,0,1,0,0|2,0,0]=4 9352 B13R1.193 CC/C=C\COC1CCCC1(C)C 7a_100000726220_100103147603 [0,1,0,1,0,0|2,0,0]=4 9353 B13R1.224 CC(C)C1CCCCCN1CCO 2230a_100000697956_100000211926 [0,1,0,1,0,0|1,0,1]=4 9354 B13R1.224 CC(C)C1CCCCCN1CCO 269982a_100000697956_100000211926 [0,1,0,1,0,0|1,0,1]=4 9355 B13R1.224 CC(C)C1CCCCCN1CCO 34a_100000697956_100000211926 [0,1,0,1,0,0|1,0,1]=4 9356 B13R1.297 CC1CCN1CCC/C=C/B(O)O 269982a_100000755817_200016261450 [0,1,0,1,0,0|2,0,0]=4 9357 B13R1.297 CC1CCN1CCC/C=C/B(O)O 34a_100000755817_200016261450 [0,1,0,1,0,0|2,0,0]=4 9358 B13R1.337 CC(C)CCCCN1CC=CCC1 2230a_100000698166_100011216152 [0,1,0,1,0,0|2,0,0]=4 9359 B13R1.337 CC(C)CCCCN1CC=CCC1 269982a_100000698166_100011216152 [0,1,0,1,0,0|2,0,0]=4 9360 B13R1.337 CC(C)CCCCN1CC=CCC1 34a_100000698166_100011216152 [0,1,0,1,0,0|2,0,0]=4 9361 B13R1.337 CC(C)CCCOC1CC=CCC1 34a_100000073881_100011214892 [0,1,0,1,0,0|2,0,0]=4 9362 B13R1.337 CC(C)CCNCC1CC=CCC1 270004a_100000210545_100000189434 [0,1,0,1,0,0|2,0,0]=4 9363 B13R1.337 CC(C)CCOCC1CC=CCC1 34a_100000210713_100000210312 [0,1,0,1,0,0|2,0,0]=4 9364 B13R1.337 CC(O)CCCOC1CC=CCC1 34a_100000073881_200000718107 [0,1,0,1,0,0|2,0,0]=4 9365 B13R1.337 CC(O)CCNCC1CC=CCC1 270004a_200000755665_100000189434 [0,1,0,1,0,0|2,0,0]=4 9366 B13R1.337 CC(O)CCOCC1CC=CCC1 34a_100000210713_100012276601 [0,1,0,1,0,0|2,0,0]=4 9367 B13R1.337 CC(O)CNCCC1CCCCC1 2230a_100000210904_100012355289 [0,1,0,1,0,0|1,0,1]=4 9368 B13R1.337 CC(O)CNCCC1CCCCC1 2230a_100000738074_100011218427 [0,1,0,1,0,0|1,0,1]=4 9369 B13R1.337 CC(O)CNCCC1CCCCC1 270004a_100000210904_100011713444 [0,1,0,1,0,0|1,0,1]=4 9370 B13R1.337 CC(O)CNCCC1CCCCC1 34a_100000210904_100011209188 [0,1,0,1,0,0|1,0,1]=4 9371 B13R1.337 CC(O)CNCCC1CCCCC1 34a_100000738074_100011218427 [0,1,0,1,0,0|1,0,1]=4 9372 B13R1.337 CC(O)COCCC1CCCCC1 34a_100011217863_100011218427 [0,1,0,1,0,0|1,0,1]=4 9373 B13R1.337 CC(O)COCCC1CCCCC1 7a_100011217863_100011218427 [0,1,0,1,0,0|1,0,1]=4 9374 B13R1.337 CC(O)CSCCC1CCCCC1 62a_100011218427_100012355289 [0,1,0,1,0,0|1,0,1]=4 9375 B13R1.337 CC(O)CSCCC1CCCCC1 62a_100012355289_100011218427 [0,1,0,1,0,0|1,0,1]=4 9376 B13R1.337 C[C@@H](O)CNCCC1CCCCC1 2230a_100000738074_100009817552 [0,1,0,1,0,0|1,0,1]=4 9377 B13R1.337 C[C@@H](O)CNCCC1CCCCC1 34a_100000738074_100009817552 [0,1,0,1,0,0|1,0,1]=4 9378 B13R1.337 C[C@@H](O)COCCC1CCCCC1 34a_100011217863_100009817552 [0,1,0,1,0,0|1,0,1]=4 9379 B13R1.337 C[C@@H](O)COCCC1CCCCC1 7a_100011217863_100009817552 [0,1,0,1,0,0|1,0,1]=4 9380 B13R1.337 C[C@@H](O)CSCCC1CCCCC1 62a_100009817552_100012355289 [0,1,0,1,0,0|1,0,1]=4 9381 B13R1.337 C[C@@H](O)CSCCC1CCCCC1 62a_100012355289_100009817552 [0,1,0,1,0,0|1,0,1]=4 9382 B13R1.337 OB(O)/C=C/CNC1CCCCC1 2230a_100000182618_100016262062 [0,1,0,1,0,0|2,0,0]=4 9383 B13R1.337 OB(O)/C=C/CNC1CCCCC1 34a_100000182618_100016262062 [0,1,0,1,0,0|2,0,0]=4 9384 B13R1.337 OB(O)/C=C/COC1CCCCC1 34a_100000210231_100016262062 [0,1,0,1,0,0|2,0,0]=4 9385 B13R1.337 OB(O)/C=C/COC1CCCCC1 7a_100000210231_100016262062 [0,1,0,1,0,0|2,0,0]=4 9386 B13R1.337 OB(O)/C=C/CSC1CCCCC1 62a_100000210327_100016262062 [0,1,0,1,0,0|2,0,0]=4 9387 B13R1.337 OB(O)/C=C/CSC1CCCCC1 62a_100016262062_100000210327 [0,1,0,1,0,0|2,0,0]=4 9388 B13R1.343 CC(O)CNCCCC1CCCC1 2230a_100000210904_100011713738 [0,1,0,1,0,0|1,0,1]=4 9389 B13R1.343 CC(O)CNCCCC1CCCC1 2230a_100000736752_100011218427 [0,1,0,1,0,0|1,0,1]=4 9390 B13R1.343 CC(O)CNCCCC1CCCC1 34a_100000210904_100011713738 [0,1,0,1,0,0|1,0,1]=4 9391 B13R1.343 CC(O)CNCCCC1CCCC1 34a_100000736752_100011218427 [0,1,0,1,0,0|1,0,1]=4 9392 B13R1.343 CC(O)COCCCC1CCCC1 34a_100011215328_100011218427 [0,1,0,1,0,0|1,0,1]=4 9393 B13R1.343 CC(O)COCCCC1CCCC1 7a_100011215328_100011218427 [0,1,0,1,0,0|1,0,1]=4 9394 B13R1.343 CC(O)CSCCCC1CCCC1 62a_100011218427_100011713738 [0,1,0,1,0,0|1,0,1]=4 9395 B13R1.343 CC(O)CSCCCC1CCCC1 62a_100011713738_100011218427 [0,1,0,1,0,0|1,0,1]=4 9396 B13R1.343 C[C@@H](O)CNCCCC1CCCC1 2230a_100000736752_100009817552 [0,1,0,1,0,0|1,0,1]=4 9397 B13R1.343 C[C@@H](O)CNCCCC1CCCC1 34a_100000736752_100009817552 [0,1,0,1,0,0|1,0,1]=4 9398 B13R1.343 C[C@@H](O)COCCCC1CCCC1 34a_100011215328_100009817552 [0,1,0,1,0,0|1,0,1]=4 9399 B13R1.343 C[C@@H](O)COCCCC1CCCC1 7a_100011215328_100009817552 [0,1,0,1,0,0|1,0,1]=4 9400 B13R1.343 C[C@@H](O)CSCCCC1CCCC1 62a_100009817552_100011713738 [0,1,0,1,0,0|1,0,1]=4 9401 B13R1.343 C[C@@H](O)CSCCCC1CCCC1 62a_100011713738_100009817552 [0,1,0,1,0,0|1,0,1]=4 9402 B13R1.343 OB(O)/C=C/CCCN1CCCC1 2230a_100000188435_200016261450 [0,1,0,1,0,0|2,0,0]=4 9403 B13R1.343 OB(O)/C=C/CCCN1CCCC1 269982a_100000188435_200016261450 [0,1,0,1,0,0|2,0,0]=4 9404 B13R1.343 OB(O)/C=C/CNCC1CCCC1 2230a_100000737975_100016262062 [0,1,0,1,0,0|2,0,0]=4 9405 B13R1.343 OB(O)/C=C/CNCC1CCCC1 34a_100000737975_100016262062 [0,1,0,1,0,0|2,0,0]=4 9406 B13R1.343 OB(O)/C=C/COCC1CCCC1 34a_100000742336_100016262062 [0,1,0,1,0,0|2,0,0]=4 9407 B13R1.343 OB(O)/C=C/COCC1CCCC1 7a_100000742336_100016262062 [0,1,0,1,0,0|2,0,0]=4 9408 B13R1.343 OB(O)/C=C/CSCC1CCCC1 62a_100000740388_100016262062 [0,1,0,1,0,0|2,0,0]=4 9409 B13R1.343 OB(O)/C=C/CSCC1CCCC1 62a_100016262062_100000740388 [0,1,0,1,0,0|2,0,0]=4 9410 B13R1.380 CCCC1CCCCN1CC(C)O 2230a_100000701414_100011218427 [0,1,0,1,0,0|1,0,1]=4 9411 B13R1.380 CCCC1CCCCN1CC(C)O 269982a_100000701414_100011218427 [0,1,0,1,0,0|1,0,1]=4 9412 B13R1.380 CCCC1CCCCN1CC(C)O 34a_100000701414_100011218427 [0,1,0,1,0,0|1,0,1]=4 9413 B13R1.380 CCCC1CCCCN1C[C@@H](C)O 2230a_100000701414_100009817552 [0,1,0,1,0,0|1,0,1]=4 9414 B13R1.380 CCCC1CCCCN1C[C@@H](C)O 269982a_100000701414_100009817552 [0,1,0,1,0,0|1,0,1]=4 9415 B13R1.380 CCCC1CCCCN1C[C@@H](C)O 34a_100000701414_100009817552 [0,1,0,1,0,0|1,0,1]=4 9416 B13R1.392 CCCC1CCCC1NCC(C)O 269862a_100000210904_100000723119 [0,1,0,1,0,0|1,0,1]=4 9417 B13R1.392 CCCC1CCCC1NCC(C)O 270004a_100000210904_100000723119 [0,1,0,1,0,0|1,0,1]=4 9418 B13R1.572 CC(C)C1CCCCC1OCCO 34a_100011709184_100000211926 [0,1,0,1,0,0|1,0,1]=4 9419 B13R1.572 CC(C)C1CCCCC1OCCO 7a_100011709184_100000211926 [0,1,0,1,0,0|1,0,1]=4 9420 B13R1.586 OB(O)/C=C/CCCNC1CCC1 2230a_100000749019_200016261450 [0,1,0,1,0,0|2,0,0]=4 9421 B13R1.586 OB(O)/C=C/CCCNC1CCC1 34a_100000749019_200016261450 [0,1,0,1,0,0|2,0,0]=4 9422 B13R1.586 OB(O)/C=C/CCCOC1CCC1 34a_100000748187_200016261450 [0,1,0,1,0,0|2,0,0]=4 9423 B13R1.586 OB(O)/C=C/CCCSC1CCC1 62a_200016261450_100000749161 [0,1,0,1,0,0|2,0,0]=4 9424 B13R1.670 CC/C=C\CN1CCCC1C(C)C 2230a_100000762757_100103147603 [0,1,0,1,0,0|2,0,0]=4 9425 B13R1.670 CC/C=C\CN1CCCC1C(C)C 269982a_100000762757_100103147603 [0,1,0,1,0,0|2,0,0]=4 9426 B13R1.670 CC/C=C\CN1CCCC1C(C)C 34a_100000762757_100103147603 [0,1,0,1,0,0|2,0,0]=4 9427 B13R1.1022 CC(Br)COC1CC/C=C\CCC1 34a_100012180447_100021000466 [0,1,0,1,0,0|2,0,0]=4 9428 B13R1.1022 CC(C)CNC1CC/C=C\CCC1 34a_100000210953_100021000466 [0,1,0,1,0,0|2,0,0]=4 9429 B13R1.1022 CC(C)COC1CC/C=C\CCC1 34a_100000210257_100021000466 [0,1,0,1,0,0|2,0,0]=4 9430 B13R1.1022 CC(C)COC1CC/C=C\CCC1 34a_100016989180_100000210624 [0,1,0,1,0,0|2,0,0]=4 9431 B13R1.1022 CC(C)CSC1CC/C=C\CCC1 62a_100000210624_100021000466 [0,1,0,1,0,0|2,0,0]=4 9432 B13R1.1022 CC(C)CSC1CC/C=C\CCC1 62a_100021000466_100000210760 [0,1,0,1,0,0|2,0,0]=4 9433 B13R1.1022 CC(C)NCC1CC/C=C\CCC1 2230a_100102730862_100000210206 [0,1,0,1,0,0|2,0,0]=4 9434 B13R1.1022 CC(C)NCC1CC/C=C\CCC1 34a_100102730862_100000210206 [0,1,0,1,0,0|2,0,0]=4 9435 B13R1.1022 CC(F)COC1CC/C=C\CCC1 34a_100015925927_100021000466 [0,1,0,1,0,0|2,0,0]=4 9436 B13R1.1022 CC(O)CNC1CC/C=C\CCC1 34a_100000210904_100021000466 [0,1,0,1,0,0|2,0,0]=4 9437 B13R1.1022 CC(O)CNC1CCCCCCC1 2230a_100000211152_100011218427 [0,1,0,1,0,0|1,0,1]=4 9438 B13R1.1022 CC(O)CNC1CCCCCCC1 270004a_100000210904_100000210524 [0,1,0,1,0,0|1,0,1]=4 9439 B13R1.1022 CC(O)CNC1CCCCCCC1 34a_100000211152_100011218427 [0,1,0,1,0,0|1,0,1]=4 9440 B13R1.1022 CC(O)COC1CC/C=C\CCC1 34a_100016989180_100011218427 [0,1,0,1,0,0|2,0,0]=4 9441 B13R1.1022 CC(O)COC1CCCCCCC1 34a_100000210054_100011218427 [0,1,0,1,0,0|1,0,1]=4 9442 B13R1.1022 CC(O)COC1CCCCCCC1 7a_100000210054_100011218427 [0,1,0,1,0,0|1,0,1]=4 9443 B13R1.1022 CC(O)CSC1CC/C=C\CCC1 62a_100011218427_100021000466 [0,1,0,1,0,0|2,0,0]=4 9444 B13R1.1022 CC(O)CSC1CC/C=C\CCC1 62a_100021000466_100011218427 [0,1,0,1,0,0|2,0,0]=4 9445 B13R1.1022 C[C@@H](Cl)COC1CC/C=C\CCC1 34a_100016084084_100021000466 [0,1,0,1,0,0|2,0,0]=4 9446 B13R1.1022 C[C@@H](N)COC1CC/C=C\CCC1 34a_100000737577_100021000466 [0,1,0,1,0,0|2,0,0]=4 9447 B13R1.1022 C[C@@H](O)CNC1CCCCCCC1 2230a_100000211152_100009817552 [0,1,0,1,0,0|1,0,1]=4 9448 B13R1.1022 C[C@@H](O)CNC1CCCCCCC1 34a_100000211152_100009817552 [0,1,0,1,0,0|1,0,1]=4 9449 B13R1.1022 C[C@@H](O)COC1CC/C=C\CCC1 34a_100016989180_100009817552 [0,1,0,1,0,0|2,0,0]=4 9450 B13R1.1022 C[C@@H](O)COC1CCCCCCC1 34a_100000210054_100009817552 [0,1,0,1,0,0|1,0,1]=4 9451 B13R1.1022 C[C@@H](O)COC1CCCCCCC1 7a_100000210054_100009817552 [0,1,0,1,0,0|1,0,1]=4 9452 B13R1.1022 C[C@@H](O)CSC1CC/C=C\CCC1 62a_100009817552_100021000466 [0,1,0,1,0,0|2,0,0]=4 9453 B13R1.1022 C[C@@H](O)CSC1CC/C=C\CCC1 62a_100021000466_100009817552 [0,1,0,1,0,0|2,0,0]=4 9454 B13R1.1052 OB(O)/C=C/CCCNCC1CC1 2230a_100000735609_200016261450 [0,1,0,1,0,0|2,0,0]=4 9455 B13R1.1052 OB(O)/C=C/CCCNCC1CC1 34a_100000735609_200016261450 [0,1,0,1,0,0|2,0,0]=4 9456 B13R1.1052 OB(O)/C=C/CCCOCC1CC1 34a_100000211283_200016261450 [0,1,0,1,0,0|2,0,0]=4 9457 B13R1.1052 OB(O)/C=C/CCCSCC1CC1 62a_100000756562_200016261450 [0,1,0,1,0,0|2,0,0]=4 9458 B13R1.1052 OB(O)/C=C/CCCSCC1CC1 62a_200016261450_100000742324 [0,1,0,1,0,0|2,0,0]=4 9459 B13R1.1107 CC(O)CN1CCCCCCCC1 2230a_100000039187_100011218427 [0,1,0,1,0,0|1,0,1]=4 9460 B13R1.1107 CC(O)CN1CCCCCCCC1 269982a_100000039187_100011218427 [0,1,0,1,0,0|1,0,1]=4 9461 B13R1.1107 CC(O)CN1CCCCCCCC1 34a_100000039187_100011218427 [0,1,0,1,0,0|1,0,1]=4 9462 B13R1.1107 C[C@@H](O)CN1CCCCCCCC1 2230a_100000039187_100009817552 [0,1,0,1,0,0|1,0,1]=4 9463 B13R1.1107 C[C@@H](O)CN1CCCCCCCC1 269982a_100000039187_100009817552 [0,1,0,1,0,0|1,0,1]=4 9464 B13R1.1107 C[C@@H](O)CN1CCCCCCCC1 34a_100000039187_100009817552 [0,1,0,1,0,0|1,0,1]=4 9465 B13R1.1988 CC(O)CNCC1CCCCCC1 2230a_100000210904_200000696569 [0,1,0,1,0,0|1,0,1]=4 9466 B13R1.1988 CC(O)CNCC1CCCCCC1 2230a_100015204231_100011218427 [0,1,0,1,0,0|1,0,1]=4 9467 B13R1.1988 CC(O)CNCC1CCCCCC1 269862a_100000210904_200000763224 [0,1,0,1,0,0|1,0,1]=4 9468 B13R1.1988 CC(O)CNCC1CCCCCC1 34a_100000210904_200000696569 [0,1,0,1,0,0|1,0,1]=4 9469 B13R1.1988 CC(O)CNCC1CCCCCC1 34a_100015204231_100011218427 [0,1,0,1,0,0|1,0,1]=4 9470 B13R1.1988 CC(O)COCC1CCCCCC1 34a_100000699130_100011218427 [0,1,0,1,0,0|1,0,1]=4 9471 B13R1.1988 CC(O)COCC1CCCCCC1 7a_100000699130_100011218427 [0,1,0,1,0,0|1,0,1]=4 9472 B13R1.1988 CC(O)CSCC1CCCCCC1 62a_100011218427_200000696569 [0,1,0,1,0,0|1,0,1]=4 9473 B13R1.1988 CC(O)CSCC1CCCCCC1 62a_200000696569_100011218427 [0,1,0,1,0,0|1,0,1]=4 9474 B13R1.1988 C[C@@H](O)CNCC1CCCCCC1 2230a_100015204231_100009817552 [0,1,0,1,0,0|1,0,1]=4 9475 B13R1.1988 C[C@@H](O)CNCC1CCCCCC1 34a_100015204231_100009817552 [0,1,0,1,0,0|1,0,1]=4 9476 B13R1.1988 C[C@@H](O)COCC1CCCCCC1 34a_100000699130_100009817552 [0,1,0,1,0,0|1,0,1]=4 9477 B13R1.1988 C[C@@H](O)COCC1CCCCCC1 7a_100000699130_100009817552 [0,1,0,1,0,0|1,0,1]=4 9478 B13R1.1988 C[C@@H](O)CSCC1CCCCCC1 62a_100009817552_200000696569 [0,1,0,1,0,0|1,0,1]=4 9479 B13R1.1988 C[C@@H](O)CSCC1CCCCCC1 62a_200000696569_100009817552 [0,1,0,1,0,0|1,0,1]=4 9480 B13R1.1988 OB(O)/C=C/CN1CCCCCC1 2230a_100000185865_100016262062 [0,1,0,1,0,0|2,0,0]=4 9481 B13R1.1988 OB(O)/C=C/CN1CCCCCC1 269982a_100000185865_100016262062 [0,1,0,1,0,0|2,0,0]=4 9482 B13R1.1988 OB(O)/C=C/CN1CCCCCC1 34a_100000185865_100016262062 [0,1,0,1,0,0|2,0,0]=4 9483 B13R1.3672 CC/C=C\CCOCC1CC1(C)C 34a_100000728257_100015370543 [0,1,0,1,0,0|2,0,0]=4 9484 B13R1.3672 CC/C=C\CCOCC1CC1(C)C 7a_100000728257_100015370543 [0,1,0,1,0,0|2,0,0]=4 9485 B13R1.9 CC/C=C\CCN1CCC(CC1)C 2230a_100000188429_100015370543 [0,1,0,1,0,0|2,0,0]=4 9486 B13R1.9 CC/C=C\CCN1CCC(CC1)C 269982a_100000188429_100015370543 [0,1,0,1,0,0|2,0,0]=4 9487 B13R1.9 CC/C=C\CCN1CCC(CC1)C 34a_100000188429_100015370543 [0,1,0,1,0,0|2,0,0]=4 9488 B13R1.9 CC/C=C\CCN1CCC(CC1)F 2230a_100015193889_100015370543 [0,1,0,1,0,0|2,0,0]=4 9489 B13R1.9 CC/C=C\CCN1CCC(CC1)F 269982a_100015193889_100015370543 [0,1,0,1,0,0|2,0,0]=4 9490 B13R1.9 CC/C=C\CCN1CCC(CC1)F 34a_100015193889_100015370543 [0,1,0,1,0,0|2,0,0]=4 9491 B13R1.9 CC/C=C\CCN1CCC(CC1)O 2230a_100025773856_100015370543 [0,1,0,1,0,0|2,0,0]=4 9492 B13R1.9 CC/C=C\CCN1CCC(CC1)O 269982a_100025773856_100015370543 [0,1,0,1,0,0|2,0,0]=4 9493 B13R1.9 CC/C=C\CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100103147603 [0,1,0,1,0,0|2,0,0]=4 9494 B13R1.9 CC/C=C\CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100103147603 [0,1,0,1,0,0|2,0,0]=4 9495 B13R1.9 CC/C=C\COC1CCC(CC1)C 34a_100000210714_100103147603 [0,1,0,1,0,0|2,0,0]=4 9496 B13R1.9 CC/C=C\COC1CCC(CC1)C 34a_100016268518_200011216234 [0,1,0,1,0,0|2,0,0]=4 9497 B13R1.9 CC/C=C\COC1CCC(CC1)C 7a_100000210714_100103147603 [0,1,0,1,0,0|2,0,0]=4 9498 B13R1.9 CC/C=C\CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100103147603 [0,1,0,1,0,0|2,0,0]=4 9499 B13R1.9 CC/C=C\CSC1CCC(CC1)C 62a_100103147603_200011216234 [0,1,0,1,0,0|2,0,0]=4 9500 B13R1.9 CCCCCCN1CC=C(CC1)C 2230a_100000693516_100000210314 [0,1,0,1,0,0|2,0,0]=4 9501 B13R1.9 CCCCCCN1CC=C(CC1)C 269982a_100000693516_100000210757 [0,1,0,1,0,0|2,0,0]=4 9502 B13R1.9 CCCCCCN1CC=C(CC1)C 34a_100000693516_100000210314 [0,1,0,1,0,0|2,0,0]=4 9503 B13R1.9 NC1CCC(CC1)CCOCCO 34a_100000070672_100000211926 [0,1,0,1,0,0|1,0,1]=4 9504 B13R1.9 OCCNCCC1CCC(CC1)O 34a_200011935226_100000211926 [0,1,0,1,0,0|1,0,1]=4 9505 B13R1.91 CCC1CCCCC1N[C@H](C)CO 269862a_100000737577_100000757040 [0,1,0,1,0,0|1,0,1]=4 9506 B13R1.91 CCC1CCCCC1N[C@H](C)CO 270004a_100000737577_100000757040 [0,1,0,1,0,0|1,0,1]=4 9507 B13R1.91 CCC1CCCCC1OC(C)CO 34a_100000210738_100012180447 [0,1,0,1,0,0|1,0,1]=4 9508 B13R1.91 CCC1CCCCC1OC(C)CO 7a_100000210738_100012180447 [0,1,0,1,0,0|1,0,1]=4 9509 B13R1.91 COC1CCCCC1NC(=O)CO 240690a_100011208099_100000210174 [0,1,0,1,0,0|2,0,0]=4 9510 B13R1.91 COC1CCCCC1NC(=O)CO 527a_100011208099_100000210174 [0,1,0,1,0,0|2,0,0]=4 9511 B13R1.382 CCCC1CCCCN1C(=O)CC 11a_100000701414_100000210414 [0,1,0,1,0,0|2,0,0]=4 9512 B13R1.382 CCCC1CCCCN1C(=O)CC 1626a_100000701414_100000210414 [0,1,0,1,0,0|2,0,0]=4 9513 B13R1.382 CCCC1CCCCN1C(=O)CC 240690a_100000701414_100000210414 [0,1,0,1,0,0|2,0,0]=4 9514 B13R1.382 CCCC1CCCCN1C(=O)CC 527a_100000701414_100000210414 [0,1,0,1,0,0|2,0,0]=4 9515 B13R1.382 CCCC1CCCCN1C(=O)CO 240690a_100000701414_100000210174 [0,1,0,1,0,0|1,0,0]=3 9516 B13R1.382 CCCC1CCCCN1C(=O)CO 527a_100000701414_100000210174 [0,1,0,1,0,0|1,0,0]=3 9517 B13R1.382 CCCC1CCCCN1C(C)CO 2230a_100000701414_100012180447 [0,1,0,1,0,0|1,0,1]=4 9518 B13R1.382 CCCC1CCCCN1C(C)CO 34a_100000701414_100012180447 [0,1,0,1,0,0|1,0,1]=4 9519 B13R1.382 CCCC1CCCCN1[C@H](C)CO 269982a_100000701414_100016084084 [0,1,0,1,0,0|1,0,1]=4 9520 B13R1.382 CCCC1COCCN1C(=O)CO 240690a_102495339903_100000210174 [0,1,0,1,0,0|2,0,0]=4 9521 B13R1.382 CCCC1COCCN1C(=O)CO 527a_102495339903_100000210174 [0,1,0,1,0,0|2,0,0]=4 9522 B13R1.382 COCC1CCCCN1C(=O)CO 240690a_100015184032_100000210174 [0,1,0,1,0,0|2,0,0]=4 9523 B13R1.382 COCC1CCCCN1C(=O)CO 527a_100015184032_100000210174 [0,1,0,1,0,0|2,0,0]=4 9524 B13R1.382 O=C(CO)N1CCCCC1CCO 240690a_100000211664_100000210174 [0,1,0,1,0,0|2,0,0]=4 9525 B13R1.393 CCCC1CCCC1N[C@H](C)CO 269862a_100000737577_100000723119 [0,1,0,1,0,0|1,0,1]=4 9526 B13R1.393 CCCC1CCCC1N[C@H](C)CO 270004a_100000737577_100000723119 [0,1,0,1,0,0|1,0,1]=4 9527 B13R1.528 CN1CCCCC1CCC(=O)CO 1458a_100000210174_100000211948 [0,1,0,1,0,0|1,0,1]=4 9528 B13R1.528 CN1CCCCC1CNC(=O)CO 240690a_100011228421_100000210174 [0,1,0,1,0,0|2,0,0]=4 9529 B13R1.528 CN1CCCCC1CNC(=O)CO 527a_100011228421_100000210174 [0,1,0,1,0,0|2,0,0]=4 9530 B13R1.528 O=C(CO)NCC1CCCCC1O 240690a_100011216029_100000210174 [0,1,0,1,0,0|2,0,0]=4 9531 B13R1.528 O=C(CO)NCC1CCCCC1O 527a_100011216029_100000210174 [0,1,0,1,0,0|2,0,0]=4 9532 B13R1.536 CC(CO)NCCCC1CCCC1 2230a_100000736752_100012180447 [0,1,0,1,0,0|1,0,1]=4 9533 B13R1.536 CC(CO)NCCCC1CCCC1 34a_100000736752_100012180447 [0,1,0,1,0,0|1,0,1]=4 9534 B13R1.536 CC(CO)OCCCC1CCCC1 34a_100011215328_100012180447 [0,1,0,1,0,0|1,0,1]=4 9535 B13R1.536 CC(CO)OCCCC1CCCC1 7a_100011215328_100012180447 [0,1,0,1,0,0|1,0,1]=4 9536 B13R1.536 CC(CO)SCCCC1CCCC1 62a_100012180447_100011713738 [0,1,0,1,0,0|1,0,1]=4 9537 B13R1.536 CCC(=O)NCCCC1CCCC1 11a_100000736752_100000210414 [0,1,0,1,0,0|2,0,0]=4 9538 B13R1.536 CCC(=O)NCCCC1CCCC1 1626a_100000736752_100000210414 [0,1,0,1,0,0|2,0,0]=4 9539 B13R1.536 CCC(=O)NCCCC1CCCC1 240690a_100000736752_100000210414 [0,1,0,1,0,0|2,0,0]=4 9540 B13R1.536 CCC(=O)NCCCC1CCCC1 527a_100000736752_100000210414 [0,1,0,1,0,0|2,0,0]=4 9541 B13R1.536 C[C@H](CO)NCCCC1CCCC1 2230a_100000737577_100011713738 [0,1,0,1,0,0|1,0,1]=4 9542 B13R1.536 C[C@H](CO)SCCCC1CCCC1 62a_100011713738_100016084084 [0,1,0,1,0,0|1,0,1]=4 9543 B13R1.536 C[C@H](CO)SCCCC1CCCC1 62a_100016084084_100011713738 [0,1,0,1,0,0|1,0,1]=4 9544 B13R1.536 O=C(CO)NCCCC1CCCC1 240690a_100000736752_100000210174 [0,1,0,1,0,0|1,0,0]=3 9545 B13R1.536 O=C(CO)NCCCC1CCCC1 527a_100000736752_100000210174 [0,1,0,1,0,0|1,0,0]=3 9546 B13R1.536 O=C(CO)NCCCN1CCCC1 240690a_100000204695_100000210174 [0,1,0,1,0,0|2,0,0]=4 9547 B13R1.536 O=C(CO)NCCOC1CCCC1 240690a_100000741755_100000210174 [0,1,0,1,0,0|2,0,0]=4 9548 B13R1.536 O=C(CO)NCCOC1CCCC1 527a_100000741755_100000210174 [0,1,0,1,0,0|2,0,0]=4 9549 B13R1.599 CN1CCCC1CCNC(=O)CO 240690a_100011219722_100000210174 [0,1,0,1,0,0|2,0,0]=4 9550 B13R1.599 CN1CCCC1CCNC(=O)CO 527a_100011219722_100000210174 [0,1,0,1,0,0|2,0,0]=4 9551 B13R1.613 CCN1CCCC1CNC(=O)CO 240690a_100000211693_100000210174 [0,1,0,1,0,0|2,0,0]=4 9552 B13R1.613 CCN1CCCC1CNC(=O)CO 527a_100000211693_100000210174 [0,1,0,1,0,0|2,0,0]=4 9553 B13R1.718 CC(=NNCC1CCCCC1)CO 4a_100000740227_100000211253 [0,1,0,1,0,0|2,0,0]=4 9554 B13R1.718 CC(CO)NCCC1CCCCC1 2230a_100000738074_100012180447 [0,1,0,1,0,0|1,0,1]=4 9555 B13R1.718 CC(CO)NCCC1CCCCC1 34a_100000738074_100012180447 [0,1,0,1,0,0|1,0,1]=4 9556 B13R1.718 CC(CO)OCCC1CCCCC1 34a_100011217863_100012180447 [0,1,0,1,0,0|1,0,1]=4 9557 B13R1.718 CC(CO)OCCC1CCCCC1 7a_100011217863_100012180447 [0,1,0,1,0,0|1,0,1]=4 9558 B13R1.718 CC(CO)SCCC1CCCCC1 62a_100012180447_100012355289 [0,1,0,1,0,0|1,0,1]=4 9559 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000210414_100011713725 [0,1,0,1,0,0|1,0,1]=4 9560 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210202 [0,1,0,1,0,0|1,0,1]=4 9561 B13R1.718 CCC(=O)NCCC1CCCCC1 11a_100000738074_100000210414 [0,1,0,1,0,0|2,0,0]=4 9562 B13R1.718 CCC(=O)NCCC1CCCCC1 1626a_100000738074_100000210414 [0,1,0,1,0,0|2,0,0]=4 9563 B13R1.718 CCC(=O)NCCC1CCCCC1 240690a_100000738074_100000210414 [0,1,0,1,0,0|2,0,0]=4 9564 B13R1.718 CCC(=O)NCCC1CCCCC1 527a_100000738074_100000210414 [0,1,0,1,0,0|2,0,0]=4 9565 B13R1.718 CCC(C)CNCC1CC=CCC1 270004a_100020588543_100000189434 [0,1,0,1,0,0|2,0,0]=4 9566 B13R1.718 CCC(C)COCC1CC=CCC1 34a_100000210713_100000748023 [0,1,0,1,0,0|2,0,0]=4 9567 B13R1.718 CCC(O)CNCC1CC=CCC1 270004a_100011218483_100000189434 [0,1,0,1,0,0|2,0,0]=4 9568 B13R1.718 CCC(O)COCC1CC=CCC1 34a_100000210713_100011218378 [0,1,0,1,0,0|2,0,0]=4 9569 B13R1.718 CC[C@H](C)COCC1CC=CCC1 34a_100000210713_100009816398 [0,1,0,1,0,0|2,0,0]=4 9570 B13R1.718 C[C@H](CO)NCCC1CCCCC1 2230a_100000737577_100012355289 [0,1,0,1,0,0|1,0,1]=4 9571 B13R1.718 C[C@H](CO)NCCC1CCCCC1 270004a_100000737577_100011713444 [0,1,0,1,0,0|1,0,1]=4 9572 B13R1.718 C[C@H](CO)SCCC1CCCCC1 62a_100012355289_100016084084 [0,1,0,1,0,0|1,0,1]=4 9573 B13R1.718 C[C@H](CO)SCCC1CCCCC1 62a_100016084084_100012355289 [0,1,0,1,0,0|1,0,1]=4 9574 B13R1.718 O=C(CF)CCCC1CCCCC1 1458a_100000211478_100015361967 [0,1,0,1,0,0|1,0,1]=4 9575 B13R1.718 O=C(CO)CCCC1CCCCC1 1458a_100000210174_100011713725 [0,1,0,1,0,0|0,0,1]=3 9576 B13R1.718 O=C(CO)CCCN1CCCCC1 1458a_100000210174_100000690320 [0,1,0,1,0,0|1,0,1]=4 9577 B13R1.718 O=C(CO)CCOC1CCCCC1 1458a_100000210174_100011211530 [0,1,0,1,0,0|1,0,1]=4 9578 B13R1.718 O=C(CO)NCCC1CCCCC1 240690a_100000738074_100000210174 [0,1,0,1,0,0|1,0,0]=3 9579 B13R1.718 O=C(CO)NCCC1CCCCC1 527a_100000738074_100000210174 [0,1,0,1,0,0|1,0,0]=3 9580 B13R1.718 O=C(CO)NCCC1CCCCO1 240690a_100015183643_100000210174 [0,1,0,1,0,0|2,0,0]=4 9581 B13R1.718 O=C(CO)NCCC1CCCCO1 527a_100015183643_100000210174 [0,1,0,1,0,0|2,0,0]=4 9582 B13R1.718 O=C(CO)NCCC1CCOCC1 240690a_100000755988_100000210174 [0,1,0,1,0,0|2,0,0]=4 9583 B13R1.718 O=C(CO)NCCC1CCOCC1 527a_100000755988_100000210174 [0,1,0,1,0,0|2,0,0]=4 9584 B13R1.718 O=C(CO)NCCN1CCCCC1 240690a_100000216509_100000210174 [0,1,0,1,0,0|2,0,0]=4 9585 B13R1.718 O=C(CO)NCCN1CCCCC1 527a_100000216509_100000210174 [0,1,0,1,0,0|2,0,0]=4 9586 B13R1.718 O=C(CO)NNCC1CCCCC1 22a_100000740227_100000210174 [0,1,0,1,0,0|2,0,0]=4 9587 B13R1.1689 CC(CO)N1CCCCCCCC1 2230a_100000039187_100012180447 [0,1,0,1,0,0|1,0,1]=4 9588 B13R1.1689 CC(CO)N1CCCCCCCC1 34a_100000039187_100012180447 [0,1,0,1,0,0|1,0,1]=4 9589 B13R1.1689 CCC(=O)N1CCCCCCCC1 11a_100000039187_100000210414 [0,1,0,1,0,0|2,0,0]=4 9590 B13R1.1689 CCC(=O)N1CCCCCCCC1 1626a_100000039187_100000210414 [0,1,0,1,0,0|2,0,0]=4 9591 B13R1.1689 CCC(=O)N1CCCCCCCC1 240690a_100000039187_100000210414 [0,1,0,1,0,0|2,0,0]=4 9592 B13R1.1689 CCC(=O)N1CCCCCCCC1 527a_100000039187_100000210414 [0,1,0,1,0,0|2,0,0]=4 9593 B13R1.1689 C[C@H](CO)N1CCCCCCCC1 269982a_100000039187_100016084084 [0,1,0,1,0,0|1,0,1]=4 9594 B13R1.1689 O=C(CO)N1CCCCCCCC1 240690a_100000039187_100000210174 [0,1,0,1,0,0|1,0,0]=3 9595 B13R1.1689 O=C(CO)N1CCCCCCCC1 527a_100000039187_100000210174 [0,1,0,1,0,0|1,0,0]=3 9596 B13R1.1711 CC(CO)NCC1CCCCCC1 2230a_100015204231_100012180447 [0,1,0,1,0,0|1,0,1]=4 9597 B13R1.1711 CC(CO)NCC1CCCCCC1 34a_100015204231_100012180447 [0,1,0,1,0,0|1,0,1]=4 9598 B13R1.1711 CC(CO)OCC1CCCCCC1 34a_100000699130_100012180447 [0,1,0,1,0,0|1,0,1]=4 9599 B13R1.1711 CC(CO)OCC1CCCCCC1 7a_100000699130_100012180447 [0,1,0,1,0,0|1,0,1]=4 9600 B13R1.1711 CC(CO)SCC1CCCCCC1 62a_100012180447_200000696569 [0,1,0,1,0,0|1,0,1]=4 9601 B13R1.1711 CCC(=O)NCC1CCCCCC1 11a_100015204231_100000210414 [0,1,0,1,0,0|2,0,0]=4 9602 B13R1.1711 CCC(=O)NCC1CCCCCC1 1626a_100015204231_100000210414 [0,1,0,1,0,0|2,0,0]=4 9603 B13R1.1711 CCC(=O)NCC1CCCCCC1 240690a_100015204231_100000210414 [0,1,0,1,0,0|2,0,0]=4 9604 B13R1.1711 CCC(=O)NCC1CCCCCC1 527a_100015204231_100000210414 [0,1,0,1,0,0|2,0,0]=4 9605 B13R1.1711 C[C@H](CO)NCC1CCCCCC1 2230a_100000737577_200000696569 [0,1,0,1,0,0|1,0,1]=4 9606 B13R1.1711 C[C@H](CO)NCC1CCCCCC1 269862a_100000737577_200000763224 [0,1,0,1,0,0|1,0,1]=4 9607 B13R1.1711 C[C@H](CO)SCC1CCCCCC1 62a_100016084084_200000696569 [0,1,0,1,0,0|1,0,1]=4 9608 B13R1.1711 C[C@H](CO)SCC1CCCCCC1 62a_200000696569_100016084084 [0,1,0,1,0,0|1,0,1]=4 9609 B13R1.1711 O=C(CO)CCN1CCCCCC1 1458a_100000210174_100000722644 [0,1,0,1,0,0|1,0,1]=4 9610 B13R1.1711 O=C(CO)NCC1CCCCCC1 240690a_100015204231_100000210174 [0,1,0,1,0,0|1,0,0]=3 9611 B13R1.1711 O=C(CO)NCC1CCCCCC1 527a_100015204231_100000210174 [0,1,0,1,0,0|1,0,0]=3 9612 B13R1.1870 CC(CO)NC1CCCCCCC1 2230a_100000211152_100012180447 [0,1,0,1,0,0|1,0,1]=4 9613 B13R1.1870 CC(CO)NC1CCCCCCC1 34a_100000211152_100012180447 [0,1,0,1,0,0|1,0,1]=4 9614 B13R1.1870 CC(CO)OC1CCCCCCC1 34a_100000210054_100012180447 [0,1,0,1,0,0|1,0,1]=4 9615 B13R1.1870 CC(CO)OC1CCCCCCC1 7a_100000210054_100012180447 [0,1,0,1,0,0|1,0,1]=4 9616 B13R1.1870 CCC(=O)NC1CCCCCCC1 11a_100000211152_100000210414 [0,1,0,1,0,0|2,0,0]=4 9617 B13R1.1870 CCC(=O)NC1CCCCCCC1 1626a_100000211152_100000210414 [0,1,0,1,0,0|2,0,0]=4 9618 B13R1.1870 CCC(=O)NC1CCCCCCC1 240690a_100000211152_100000210414 [0,1,0,1,0,0|2,0,0]=4 9619 B13R1.1870 CCC(=O)NC1CCCCCCC1 527a_100000211152_100000210414 [0,1,0,1,0,0|2,0,0]=4 9620 B13R1.1870 CCC(C)OC1CC/C=C\CCC1 34a_100016989180_100011215416 [0,1,0,1,0,0|2,0,0]=4 9621 B13R1.1870 CCC(C)OC1CC/C=C\CCC1 7a_100000210228_100021000466 [0,1,0,1,0,0|2,0,0]=4 9622 B13R1.1870 CCC(C)SC1CC/C=C\CCC1 62a_100000758301_100021000466 [0,1,0,1,0,0|2,0,0]=4 9623 B13R1.1870 CCC(C)SC1CC/C=C\CCC1 62a_100021000466_100000758301 [0,1,0,1,0,0|2,0,0]=4 9624 B13R1.1870 C[C@H](CO)NC1CCCCCCC1 270004a_100000737577_100000210524 [0,1,0,1,0,0|1,0,1]=4 9625 B13R1.1870 O=C(CO)NC1CCCCCCC1 240690a_100000211152_100000210174 [0,1,0,1,0,0|1,0,0]=3 9626 B13R1.1870 O=C(CO)NC1CCCCCCC1 527a_100000211152_100000210174 [0,1,0,1,0,0|1,0,0]=3 9627 B13R2.3 C1=CCN(CC1)C2CCCCC2 269982a_100000698166_100000210327 [0,0,0,2,0,0|2,0,0]=4 9628 B13R2.3 C1=CCN(CC1)C2CCCCC2 270004a_100000698166_100000210434 [0,0,0,2,0,0|2,0,0]=4 9629 B13R2.3 C1=CCN(CC1)C2CCCCC2 34a_100000698166_100000210327 [0,0,0,2,0,0|2,0,0]=4 9630 B13R2.64 C1=CCC(CC1)CN2CCCC2 270004a_100000188435_100000189434 [0,0,0,2,0,0|2,0,0]=4 9631 B13R2.64 C1=CCC(CC1)OC2CCCC2 34a_100000073881_100000179811 [0,0,0,2,0,0|2,0,0]=4 9632 B13R2.64 C1=CCN(CC1)CC2CCCC2 2230a_100000698166_100000740388 [0,0,0,2,0,0|2,0,0]=4 9633 B13R2.64 C1=CCN(CC1)CC2CCCC2 269982a_100000698166_100000740388 [0,0,0,2,0,0|2,0,0]=4 9634 B13R2.64 C1=CCN(CC1)CC2CCCC2 34a_100000698166_100000740388 [0,0,0,2,0,0|2,0,0]=4 9635 B13R2.745 CC/C=C\CCN1CC2CC2C1 2230a_100000741873_100015370543 [0,0,0,2,0,0|2,0,0]=4 9636 B13R2.745 CC/C=C\CCN1CC2CC2C1 269982a_100000741873_100015370543 [0,0,0,2,0,0|2,0,0]=4 9637 B13R2.745 CC/C=C\CCN1CC2CC2C1 34a_100000741873_100015370543 [0,0,0,2,0,0|2,0,0]=4 9638 B13R2.2382 C1=CCC(CC1)CNCC2CC2 270004a_100000735609_100000189434 [0,0,0,2,0,0|2,0,0]=4 9639 B13R2.2382 C1=CCC(CC1)COCC2CC2 34a_100000210713_100000742324 [0,0,0,2,0,0|2,0,0]=4 9640 B13R2.2382 C1=CCC(CC1)OCCC2CC2 34a_100000073881_100000694398 [0,0,0,2,0,0|2,0,0]=4 9641 B13R2.2383 C1=CCC(CC1)COC2CCC2 34a_100000210713_100000749161 [0,0,0,2,0,0|2,0,0]=4 9642 B13R2.2383 C1=CCC(CC1)OCC2CCC2 34a_100000073881_100000763275 [0,0,0,2,0,0|2,0,0]=4 9643 B13R2.2388 CC/C=C\CN1C2CCC1CC2 2230a_100000735658_100103147603 [0,0,0,2,0,0|2,0,0]=4 9644 B13R2.2388 CC/C=C\CN1C2CCC1CC2 269982a_100000735658_100103147603 [0,0,0,2,0,0|2,0,0]=4 9645 B13R2.2388 CC/C=C\CN1C2CCC1CC2 34a_100000735658_100103147603 [0,0,0,2,0,0|2,0,0]=4 9646 B13R2.3194 CC/C=C\COC1CCC2C1C2 34a_200012295571_100103147603 [0,0,0,2,0,0|2,0,0]=4 9647 B13R2.2520 CC/C=C\CN1CC2CCC1C2 2230a_100000743476_100103147603 [0,0,0,2,0,0|2,0,0]=4 9648 B13R2.2520 CC/C=C\CN1CC2CCC1C2 269982a_100000743476_100103147603 [0,0,0,2,0,0|2,0,0]=4 9649 B13R2.2520 CC/C=C\CN1CC2CCC1C2 34a_100000743476_100103147603 [0,0,0,2,0,0|2,0,0]=4 9650 B13R2.2520 CCCCCN1CC2C=CC1C2 2230a_100000732668_100000210326 [0,0,0,2,0,0|2,0,0]=4 9651 B13R2.2520 CCCCCN1CC2C=CC1C2 269982a_100000732668_100000210215 [0,0,0,2,0,0|2,0,0]=4 9652 B13R2.2520 CCCCCN1CC2C=CC1C2 34a_100000732668_100000718602 [0,0,0,2,0,0|2,0,0]=4 9653 B13R2.2520 CCCCOC1CC2C=CC1C2 34a_100000043678_100000210210 [0,0,0,2,0,0|2,0,0]=4 9654 B13R2.2520 CCCNCC1CC2C=CC1C2 2230a_100000189500_100000210303 [0,0,0,2,0,0|2,0,0]=4 9655 B13R2.2520 CCCNCC1CC2C=CC1C2 34a_100000189500_100000210303 [0,0,0,2,0,0|2,0,0]=4 9656 B13R2.2520 CCCOCC1CC2C=CC1C2 34a_100000210258_200009814271 [0,0,0,2,0,0|2,0,0]=4 9657 B13R2.2520 CCCOCC1CC2C=CC1C2 34a_100011215361_100000210303 [0,0,0,2,0,0|2,0,0]=4 9658 B13R2.2520 CCCSCC1CC2C=CC1C2 62a_100000139495_100000210303 [0,0,0,2,0,0|2,0,0]=4 9659 B13R2.2520 CCCSCC1CC2C=CC1C2 62a_100000210303_100000139495 [0,0,0,2,0,0|2,0,0]=4 9660 B13R2.2520 OCCNCC1CC2CCC1C2 269862a_100000210304_100000697602 [0,0,0,2,0,0|1,0,1]=4 9661 B13R2.2520 OCCNCC1CC2CCC1C2 270004a_100000210304_100000697602 [0,0,0,2,0,0|1,0,1]=4 9662 B13R2.2520 OCCOCC1CC2CCC1C2 34a_100000229996_100000211926 [0,0,0,2,0,0|1,0,1]=4 9663 B13R2.673 CC/C=C\CN1CCCC12CC2 2230a_100020620911_100103147603 [0,0,0,2,0,0|2,0,0]=4 9664 B13R2.673 CC/C=C\CN1CCCC12CC2 269982a_100020620911_100103147603 [0,0,0,2,0,0|2,0,0]=4 9665 B13R2.673 CC/C=C\CN1CCCC12CC2 34a_100020620911_100103147603 [0,0,0,2,0,0|2,0,0]=4 9666 B13R2.26 OCCN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100000211926 [0,0,0,2,0,0|1,0,1]=4 9667 B13R2.26 OCCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000211926 [0,0,0,2,0,0|1,0,1]=4 9668 B13R2.26 OCCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100000211926 [0,0,0,2,0,0|1,0,1]=4 9669 B13R2.4106 COC[C@@H]1[C@H]2[C@@H]1CC/C=C\CC2 34a_202125555235_200000210301 [0,0,0,2,0,0|2,0,0]=4 9670 B13R2.4106 COC[C@@H]1[C@H]2[C@@H]1CC/C=C\CC2 7a_202125555235_200000210301 [0,0,0,2,0,0|2,0,0]=4 9671 B13R2.4106 [13CH3]OC[C@@H]1[C@H]2[C@@H]1CC/C=C\CC2 34a_202125555235_200025704644 [0,0,0,2,0,0|2,0,0]=4 9672 B13R2.4106 [13CH3]OC[C@@H]1[C@H]2[C@@H]1CC/C=C\CC2 7a_202125555235_200025704644 [0,0,0,2,0,0|2,0,0]=4 9673 B13R2.6844 C\1=C\CCC(CCC1)N2CCC2 269982a_100000754969_100021000466 [0,0,0,2,0,0|2,0,0]=4 9674 B13R2.6839 C\1=C\CCC(CCC1)NC2CC2 34a_100000212008_100021000466 [0,0,0,2,0,0|2,0,0]=4 9675 B13R2.6839 C\1=C\CCC(CCC1)OC2CC2 34a_100016989180_100000211595 [0,0,0,2,0,0|2,0,0]=4 9676 B13R2.6839 C\1=C\CCC(CCC1)SC2CC2 62a_100021000466_100000211595 [0,0,0,2,0,0|2,0,0]=4