0 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.1 C#CCCCNCC 2230a_100015525214_100000731252 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.1 C#CCCCNCC 34a_100000718082_100000210202 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [0,0,0,0,0,0|3,0,1]=4 42 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [0,0,0,0,0,0|3,0,1]=4 47 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [0,0,0,0,0,0|3,0,1]=4 48 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [0,0,0,0,0,0|3,0,1]=4 49 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [0,0,0,0,0,0|3,0,1]=4 52 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [0,0,0,0,0,0|3,0,1]=4 53 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [0,0,0,0,0,0|3,0,1]=4 55 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [0,0,0,0,0,0|3,0,1]=4 56 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [0,0,0,0,0,0|3,0,1]=4 57 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [0,0,0,0,0,0|3,0,1]=4 58 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [0,0,0,0,0,0|3,0,1]=4 59 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [0,0,0,0,0,0|3,0,1]=4 62 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [0,0,0,0,0,0|3,0,1]=4 64 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [0,0,0,0,0,0|3,0,1]=4 65 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,0,0,0,0,0|3,0,1]=4 66 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,0,0,0,0,0|3,0,1]=4 67 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,0,0,0,0,0|3,0,1]=4 68 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,0,0,0,0,0|3,0,1]=4 69 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [0,0,0,0,0,0|3,0,1]=4 70 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [0,0,0,0,0,0|3,0,1]=4 71 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [0,0,0,0,0,0|3,0,1]=4 72 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [0,0,0,0,0,0|3,0,1]=4 73 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [0,0,0,0,0,0|3,0,1]=4 74 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [0,0,0,0,0,0|3,0,1]=4 77 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [0,0,0,0,0,0|3,0,1]=4 78 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [0,0,0,0,0,0|3,0,1]=4 82 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [0,0,0,0,0,0|3,0,1]=4 83 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [0,0,0,0,0,0|3,0,1]=4 84 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [0,0,0,0,0,0|3,0,1]=4 85 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [0,0,0,0,0,0|3,0,1]=4 86 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [0,0,0,0,0,0|3,0,1]=4 87 B7R0.1 CC#CCNCCC 2230a_100000685387_100000210303 [0,0,0,0,0,0|3,0,1]=4 88 B7R0.1 CC#CCNCCC 34a_100000685387_100000210303 [0,0,0,0,0,0|3,0,1]=4 89 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [0,0,0,0,0,0|3,0,1]=4 90 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [0,0,0,0,0,0|3,0,1]=4 91 B7R0.1 CC#CCSCCC 62a_100000210303_100000748600 [0,0,0,0,0,0|3,0,1]=4 92 B7R0.1 CC#CCSCCC 62a_100000748600_100000210303 [0,0,0,0,0,0|3,0,1]=4 93 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [0,0,0,0,0,0|3,0,1]=4 94 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [0,0,0,0,0,0|3,0,1]=4 95 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [0,0,0,0,0,0|3,0,1]=4 96 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [0,0,0,0,0,0|3,0,1]=4 97 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [0,0,0,0,0,0|3,0,1]=4 98 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [0,0,0,0,0,0|2,0,1]=3 99 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [0,0,0,0,0,0|3,0,0]=3 100 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [0,0,0,0,0,0|3,0,0]=3 101 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [0,0,0,0,0,0|3,0,0]=3 102 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [0,0,0,0,0,0|3,0,0]=3 103 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [0,0,0,0,0,0|3,0,0]=3 104 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [0,0,0,0,0,0|3,0,0]=3 105 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [0,0,0,0,0,0|3,0,0]=3 106 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [0,0,0,0,0,0|3,0,0]=3 107 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [0,0,0,0,0,0|3,0,0]=3 108 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [0,0,0,0,0,0|3,0,0]=3 109 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [0,0,0,0,0,0|3,0,0]=3 110 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [0,0,0,0,0,0|3,0,0]=3 111 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [0,0,0,0,0,0|3,0,0]=3 112 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [0,0,0,0,0,0|3,0,0]=3 113 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [0,0,0,0,0,0|1,0,2]=3 114 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [0,0,0,0,0,0|1,0,2]=3 115 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [0,0,0,0,0,0|2,0,1]=3 116 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [0,0,0,0,0,0|2,0,1]=3 117 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [0,0,0,0,0,0|2,0,1]=3 118 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [0,0,0,0,0,0|2,0,1]=3 119 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [0,0,0,0,0,0|2,0,1]=3 120 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [0,0,0,0,0,0|2,0,1]=3 121 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [0,0,0,0,0,0|2,0,1]=3 122 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [0,0,0,0,0,0|2,0,1]=3 123 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [0,0,0,0,0,0|2,0,1]=3 124 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [0,0,0,0,0,0|3,0,1]=4 125 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [0,0,0,0,0,0|3,0,1]=4 126 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [0,0,0,0,0,0|2,1,1]=4 127 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [0,0,0,0,0,0|2,1,1]=4 128 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [0,0,0,0,0,0|3,0,1]=4 129 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [0,0,0,0,0,0|3,0,1]=4 130 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [0,0,0,0,0,0|3,0,1]=4 131 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [0,0,0,0,0,0|3,0,1]=4 132 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [0,0,0,0,0,0|3,0,1]=4 133 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [0,0,0,0,0,0|2,1,1]=4 134 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [0,0,0,0,0,0|2,1,1]=4 135 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [0,0,0,0,0,0|2,1,1]=4 136 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [0,0,0,0,0,0|2,1,1]=4 137 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [0,0,0,0,0,0|4,0,0]=4 138 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [0,0,0,0,0,0|4,0,0]=4 139 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [0,0,0,0,0,0|3,0,1]=4 140 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [0,0,0,0,0,0|2,1,1]=4 141 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [0,0,0,0,0,0|2,1,1]=4 142 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [0,0,0,0,0,0|3,0,1]=4 143 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [0,0,0,0,0,0|3,0,1]=4 144 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [0,0,0,0,0,0|3,0,1]=4 145 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [0,0,0,0,0,0|3,0,1]=4 146 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [0,0,0,0,0,0|3,0,1]=4 147 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [0,0,0,0,0,0|3,0,1]=4 148 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [0,0,0,0,0,0|3,0,1]=4 149 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [0,0,0,0,0,0|2,1,1]=4 150 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [0,0,0,0,0,0|2,1,1]=4 151 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [0,0,0,0,0,0|4,0,0]=4 152 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [0,0,0,0,0,0|4,0,0]=4 153 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [0,0,0,0,0,0|4,0,0]=4 154 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [0,0,0,0,0,0|4,0,0]=4 155 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [0,0,0,0,0,0|4,0,0]=4 156 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [0,0,0,0,0,0|4,0,0]=4 157 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [0,0,0,0,0,0|4,0,0]=4 158 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [0,0,0,0,0,0|4,0,0]=4 159 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [0,0,0,0,0,0|3,0,1]=4 160 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [0,0,0,0,0,0|3,0,1]=4 161 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [0,0,0,0,0,0|2,1,1]=4 162 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [0,0,0,0,0,0|2,1,1]=4 163 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [0,0,0,0,0,0|3,0,1]=4 164 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [0,0,0,0,0,0|3,0,1]=4 165 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [0,0,0,0,0,0|3,0,1]=4 166 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [0,0,0,0,0,0|3,0,1]=4 167 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [0,0,0,0,0,0|2,1,1]=4 168 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [0,0,0,0,0,0|2,1,1]=4 169 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [0,0,0,0,0,0|4,0,0]=4 170 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [0,0,0,0,0,0|4,0,0]=4 171 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [0,0,0,0,0,0|4,0,0]=4 172 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [0,0,0,0,0,0|4,0,0]=4 173 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [0,0,0,0,0,0|3,0,1]=4 174 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [0,0,0,0,0,0|3,0,1]=4 175 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [0,0,0,0,0,0|4,0,0]=4 176 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [0,0,0,0,0,0|4,0,0]=4 177 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [0,0,0,0,0,0|3,0,1]=4 178 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [0,0,0,0,0,0|3,0,1]=4 179 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [0,0,0,0,0,0|3,0,1]=4 180 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [0,0,0,0,0,0|3,0,1]=4 181 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [0,0,0,0,0,0|3,0,1]=4 182 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [0,0,0,0,0,0|2,1,1]=4 183 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [0,0,0,0,0,0|4,0,0]=4 184 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [0,0,0,0,0,0|4,0,0]=4 185 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [0,0,0,0,0,0|4,0,0]=4 186 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [0,0,0,0,0,0|4,0,0]=4 187 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [0,0,0,0,0,0|4,0,0]=4 188 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [0,0,0,0,0,0|4,0,0]=4 189 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [0,0,0,0,0,0|4,0,0]=4 190 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [0,0,0,0,0,0|4,0,0]=4 191 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [0,0,0,0,0,0|4,0,0]=4 192 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [0,0,0,0,0,0|4,0,0]=4 193 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [0,0,0,0,0,0|4,0,0]=4 194 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [0,0,0,0,0,0|4,0,0]=4 195 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [0,0,0,0,0,0|4,0,0]=4 196 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [0,0,0,0,0,0|4,0,0]=4 197 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [0,0,0,0,0,0|4,0,0]=4 198 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [0,0,0,0,0,0|4,0,0]=4 199 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [0,0,0,0,0,0|4,0,0]=4 200 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [0,0,0,0,0,0|4,0,0]=4 201 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [0,0,0,0,0,0|4,0,0]=4 202 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [0,0,0,0,0,0|4,0,0]=4 203 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [0,0,0,0,0,0|4,0,0]=4 204 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [0,0,0,0,0,0|4,0,0]=4 205 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [0,0,0,0,0,0|3,0,1]=4 206 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [0,0,0,0,0,0|3,0,1]=4 207 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [0,0,0,0,0,0|3,0,1]=4 208 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [0,0,0,0,0,0|3,0,1]=4 209 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [0,0,0,0,0,0|2,1,1]=4 210 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [0,0,0,0,0,0|2,1,1]=4 211 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [0,0,0,0,0,0|4,0,0]=4 212 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [0,0,0,0,0,0|4,0,0]=4 213 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [0,0,0,0,0,0|4,0,0]=4 214 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [0,0,0,0,0,0|4,0,0]=4 215 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [0,0,0,0,0,0|4,0,0]=4 216 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [0,0,0,0,0,0|4,0,0]=4 217 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [0,0,0,0,0,0|4,0,0]=4 218 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [0,0,0,0,0,0|4,0,0]=4 219 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [0,0,0,0,0,0|4,0,0]=4 220 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [0,0,0,0,0,0|4,0,0]=4 221 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [0,0,0,0,0,0|3,0,1]=4 222 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [0,0,0,0,0,0|3,0,1]=4 223 B7R0.1 CCCSCSC#N 62a_100000210303_100000211825 [0,0,0,0,0,0|3,0,1]=4 224 B7R0.1 CCCSCSC#N 62a_100000211825_100000210303 [0,0,0,0,0,0|3,0,1]=4 225 B7R0.1 CCNCCCC#N 2230a_100015525214_100000687738 [0,0,0,0,0,0|3,0,1]=4 226 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [0,0,0,0,0,0|2,1,1]=4 227 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [0,0,0,0,0,0|2,0,2]=4 228 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [0,0,0,0,0,0|2,0,2]=4 229 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [0,0,0,0,0,0|2,0,2]=4 230 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [0,0,0,0,0,0|2,0,2]=4 231 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [0,0,0,0,0,0|2,0,2]=4 232 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [0,0,0,0,0,0|2,0,2]=4 233 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [0,0,0,0,0,0|2,0,2]=4 234 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [0,0,0,0,0,0|2,0,2]=4 235 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [0,0,0,0,0,0|2,0,2]=4 236 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [0,0,0,0,0,0|2,0,2]=4 237 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [0,0,0,0,0,0|2,0,2]=4 238 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [0,0,0,0,0,0|2,0,2]=4 239 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [0,0,0,0,0,0|3,0,1]=4 240 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [0,0,0,0,0,0|3,0,1]=4 241 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [0,0,0,0,0,0|3,0,1]=4 242 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [0,0,0,0,0,0|3,0,1]=4 243 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [0,0,0,0,0,0|3,0,1]=4 244 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [0,0,0,0,0,0|3,0,1]=4 245 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [0,0,0,0,0,0|3,0,1]=4 246 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [0,0,0,0,0,0|3,0,1]=4 247 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [0,0,0,0,0,0|2,1,1]=4 248 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [0,0,0,0,0,0|3,0,1]=4 249 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [0,0,0,0,0,0|3,0,1]=4 250 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [0,0,0,0,0,0|3,0,1]=4 251 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [0,0,0,0,0,0|3,0,1]=4 252 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [0,0,0,0,0,0|3,0,1]=4 253 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [0,0,0,0,0,0|3,0,1]=4 254 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [0,0,0,0,0,0|3,0,1]=4 255 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [0,0,0,0,0,0|3,0,1]=4 256 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [0,0,0,0,0,0|3,0,1]=4 257 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [0,0,0,0,0,0|3,0,1]=4 258 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [0,0,0,0,0,0|3,0,1]=4 259 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [0,0,0,0,0,0|3,0,1]=4 260 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [0,0,0,0,0,0|3,0,1]=4 261 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [0,0,0,0,0,0|3,0,1]=4 262 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [0,0,0,0,0,0|3,0,1]=4 263 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [0,0,0,0,0,0|3,0,1]=4 264 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [0,0,0,0,0,0|3,0,1]=4 265 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [0,0,0,0,0,0|3,0,1]=4 266 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [0,0,0,0,0,0|3,0,1]=4 267 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [0,0,0,0,0,0|3,0,1]=4 268 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [0,0,0,0,0,0|3,0,1]=4 269 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [0,0,0,0,0,0|2,0,2]=4 270 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [0,0,0,0,0,0|3,0,1]=4 271 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [0,0,0,0,0,0|3,0,1]=4 272 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [0,0,0,0,0,0|3,0,1]=4 273 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [0,0,0,0,0,0|3,0,1]=4 274 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [0,0,0,0,0,0|3,0,1]=4 275 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [0,0,0,0,0,0|3,0,1]=4 276 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [0,0,0,0,0,0|3,0,1]=4 277 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [0,0,0,0,0,0|3,0,1]=4 278 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [0,0,0,0,0,0|3,0,1]=4 279 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [0,0,0,0,0,0|3,0,1]=4 280 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [0,0,0,0,0,0|3,0,1]=4 281 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [0,0,0,0,0,0|3,0,1]=4 282 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [0,0,0,0,0,0|3,0,1]=4 283 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [0,0,0,0,0,0|3,0,1]=4 284 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [0,0,0,0,0,0|2,1,1]=4 285 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [0,0,0,0,0,0|2,1,1]=4 286 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [0,0,0,0,0,0|3,0,1]=4 287 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [0,0,0,0,0,0|3,0,1]=4 288 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [0,0,0,0,0,0|2,1,1]=4 289 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [0,0,0,0,0,0|2,1,1]=4 290 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [0,0,0,0,0,0|3,0,1]=4 291 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [0,0,0,0,0,0|3,0,1]=4 292 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [0,0,0,0,0,0|3,0,1]=4 293 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [0,0,0,0,0,0|3,0,1]=4 294 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [0,0,0,0,0,0|3,0,1]=4 295 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [0,0,0,0,0,0|3,0,1]=4 296 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [0,0,0,0,0,0|3,0,1]=4 297 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [0,0,0,0,0,0|3,0,1]=4 298 B7R0.1 CCSCCSC#N 62a_100000034367_100000210202 [0,0,0,0,0,0|3,0,1]=4 299 B7R0.1 CCSCCSC#N 62a_100000210202_100000034367 [0,0,0,0,0,0|3,0,1]=4 300 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [0,0,0,0,0,0|3,0,1]=4 301 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [0,0,0,0,0,0|3,0,1]=4 302 B7R0.1 CCSCCSCF 62a_100000757381_100015361967 [0,0,0,0,0,0|3,0,1]=4 303 B7R0.1 CCSCCSCF 62a_100015361967_100000757381 [0,0,0,0,0,0|3,0,1]=4 304 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [0,0,0,0,0,0|3,0,1]=4 305 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [0,0,0,0,0,0|3,0,1]=4 306 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [0,0,0,0,0,0|2,1,1]=4 307 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [0,0,0,0,0,0|2,1,1]=4 308 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [0,0,0,0,0,0|3,0,1]=4 309 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [0,0,0,0,0,0|3,0,1]=4 310 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [0,0,0,0,0,0|3,0,1]=4 311 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [0,0,0,0,0,0|2,1,1]=4 312 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [0,0,0,0,0,0|2,1,1]=4 313 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [0,0,0,0,0,0|2,1,1]=4 314 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [0,0,0,0,0,0|2,1,1]=4 315 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [0,0,0,0,0,0|2,1,1]=4 316 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [0,0,0,0,0,0|4,0,0]=4 317 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [0,0,0,0,0,0|4,0,0]=4 318 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [0,0,0,0,0,0|4,0,0]=4 319 B7R0.1 CNCCCN=[N+]=[N-] 2230a_100000744732_200000210301 [0,0,0,0,0,0|3,0,0]=3 320 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [0,0,0,0,0,0|3,0,1]=4 321 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [0,0,0,0,0,0|3,0,1]=4 322 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [0,0,0,0,0,0|3,0,1]=4 323 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [0,0,0,0,0,0|3,0,1]=4 324 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [0,0,0,0,0,0|3,0,1]=4 325 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [0,0,0,0,0,0|3,0,1]=4 326 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [0,0,0,0,0,0|3,0,1]=4 327 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [0,0,0,0,0,0|3,0,1]=4 328 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [0,0,0,0,0,0|3,0,1]=4 329 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [0,0,0,0,0,0|2,1,1]=4 330 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [0,0,0,0,0,0|4,0,0]=4 331 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [0,0,0,0,0,0|4,0,0]=4 332 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [0,0,0,0,0,0|4,0,0]=4 333 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [0,0,0,0,0,0|4,0,0]=4 334 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [0,0,0,0,0,0|4,0,0]=4 335 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [0,0,0,0,0,0|4,0,0]=4 336 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [0,0,0,0,0,0|4,0,0]=4 337 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [0,0,0,0,0,0|4,0,0]=4 338 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [0,0,0,0,0,0|4,0,0]=4 339 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [0,0,0,0,0,0|2,0,2]=4 340 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [0,0,0,0,0,0|3,0,1]=4 341 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [0,0,0,0,0,0|3,0,1]=4 342 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [0,0,0,0,0,0|3,0,1]=4 343 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [0,0,0,0,0,0|3,0,1]=4 344 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [0,0,0,0,0,0|3,0,1]=4 345 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [0,0,0,0,0,0|2,1,1]=4 346 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [0,0,0,0,0,0|2,1,1]=4 347 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [0,0,0,0,0,0|3,0,1]=4 348 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [0,0,0,0,0,0|3,0,1]=4 349 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [0,0,0,0,0,0|2,1,1]=4 350 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [0,0,0,0,0,0|2,1,1]=4 351 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [0,0,0,0,0,0|4,0,0]=4 352 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [0,0,0,0,0,0|4,0,0]=4 353 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [0,0,0,0,0,0|3,0,1]=4 354 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [0,0,0,0,0,0|3,0,1]=4 355 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [0,0,0,0,0,0|3,0,1]=4 356 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [0,0,0,0,0,0|3,0,1]=4 357 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [0,0,0,0,0,0|3,0,1]=4 358 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [0,0,0,0,0,0|3,0,1]=4 359 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [0,0,0,0,0,0|3,0,1]=4 360 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [0,0,0,0,0,0|3,0,1]=4 361 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [0,0,0,0,0,0|3,0,1]=4 362 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [0,0,0,0,0,0|3,0,1]=4 363 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [0,0,0,0,0,0|3,0,1]=4 364 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [0,0,0,0,0,0|2,0,2]=4 365 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [0,0,0,0,0,0|3,0,1]=4 366 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [0,0,0,0,0,0|3,0,1]=4 367 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [0,0,0,0,0,0|2,1,1]=4 368 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [0,0,0,0,0,0|2,1,1]=4 369 B7R0.1 [13CH3]NCCCN=[N+]=[N-] 2230a_100000744732_200025704644 [0,0,0,0,0,0|3,0,0]=3 370 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [0,0,0,0,0,0|3,0,1]=4 371 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [0,0,0,0,0,0|3,0,1]=4 372 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [0,0,0,0,0,0|3,0,1]=4 373 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [0,0,0,0,0,0|3,0,1]=4 374 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [0,0,0,0,0,0|3,0,1]=4 375 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [0,0,0,0,0,0|3,0,1]=4 376 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [0,0,0,0,0,0|3,0,1]=4 377 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [0,0,0,0,0,0|3,0,1]=4 378 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [0,0,0,0,0,0|3,0,1]=4 379 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [0,0,0,0,0,0|2,1,1]=4 380 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [0,0,0,0,0,0|2,1,1]=4 381 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [0,0,0,0,0,0|3,0,1]=4 382 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [0,0,0,0,0,0|3,0,1]=4 383 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [0,0,0,0,0,0|2,1,1]=4 384 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [0,0,0,0,0,0|2,1,1]=4 385 B6R0.6 C#CCCCNC 2230a_106832991635_100000731252 [1,0,0,0,0,0|2,0,1]=4 386 B6R0.6 C#CCCCNC 34a_100000718082_200000210301 [1,0,0,0,0,0|2,0,1]=4 387 B6R0.6 C#CCCCNC 34a_100102657272_100000695029 [1,0,0,0,0,0|2,0,1]=4 388 B6R0.6 C#CCCCNC 7a_106832991635_100011215417 [1,0,0,0,0,0|2,0,1]=4 389 B6R0.6 C#CCCCN[13CH3] 34a_100000718082_200025704644 [1,0,0,0,0,0|2,0,1]=4 390 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [1,0,0,0,0,0|2,0,1]=4 391 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [1,0,0,0,0,0|2,0,1]=4 392 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [1,0,0,0,0,0|2,0,1]=4 393 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [1,0,0,0,0,0|2,0,1]=4 394 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [1,0,0,0,0,0|2,0,1]=4 395 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [1,0,0,0,0,0|2,0,1]=4 396 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [1,0,0,0,0,0|2,0,1]=4 397 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [1,0,0,0,0,0|2,0,1]=4 398 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [1,0,0,0,0,0|2,0,1]=4 399 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [1,0,0,0,0,0|2,0,1]=4 400 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [1,0,0,0,0,0|2,0,1]=4 401 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [1,0,0,0,0,0|2,0,1]=4 402 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [1,0,0,0,0,0|2,0,1]=4 403 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [1,0,0,0,0,0|2,0,1]=4 404 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [1,0,0,0,0,0|2,0,1]=4 405 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [1,0,0,0,0,0|2,0,1]=4 406 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [1,0,0,0,0,0|2,0,1]=4 407 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [1,0,0,0,0,0|2,0,1]=4 408 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [1,0,0,0,0,0|2,0,1]=4 409 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [1,0,0,0,0,0|2,0,1]=4 410 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [1,0,0,0,0,0|2,0,1]=4 411 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [1,0,0,0,0,0|2,0,1]=4 412 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [1,0,0,0,0,0|2,0,1]=4 413 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [1,0,0,0,0,0|2,0,1]=4 414 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [1,0,0,0,0,0|2,0,1]=4 415 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [1,0,0,0,0,0|2,0,1]=4 416 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,0,0,0,0,0|2,0,1]=4 417 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,0,0,0,0,0|2,0,1]=4 418 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,0,0,0,0,0|2,0,1]=4 419 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,0,0,0,0,0|2,0,1]=4 420 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,0,0,0,0,0|2,0,1]=4 421 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,0,0,0,0,0|2,0,1]=4 422 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,0,0,0,0,0|2,0,1]=4 423 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,0,0,0,0,0|2,0,1]=4 424 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,0,0,0,0,0|2,0,1]=4 425 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [1,0,0,0,0,0|2,0,1]=4 426 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [1,0,0,0,0,0|2,0,1]=4 427 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,0,0,0,0|2,0,1]=4 428 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,0,0,0,0|2,0,1]=4 429 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,0,0,0,0,0|2,0,1]=4 430 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,0,0,0,0,0|2,0,1]=4 431 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,0,0,0,0,0|2,0,1]=4 432 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,0,0,0,0,0|2,0,1]=4 433 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,0,0,0,0,0|2,0,1]=4 434 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,0,0,0,0,0|2,0,1]=4 435 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,0,0,0,0,0|2,0,1]=4 436 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,0,0,0,0,0|2,0,1]=4 437 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,0,0,0,0,0|0,0,2]=3 438 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,0,0,0,0,0|0,0,2]=3 439 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,0,0,0,0,0|0,0,2]=3 440 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,0,0,0,0,0|0,0,2]=3 441 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,0,0,0,0,0|0,0,2]=3 442 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,0,0,0,0,0|1,0,1]=3 443 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,0,0,0,0,0|1,0,1]=3 444 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,0,0,0,0,0|1,0,1]=3 445 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,0,0,0,0,0|1,0,1]=3 446 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,0,0,0,0,0|1,0,1]=3 447 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,0,0,0,0|1,0,1]=3 448 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,0,0,0,0|1,0,1]=3 449 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,0,0,0,0|1,0,1]=3 450 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,0,0,0,0|1,0,1]=3 451 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,0,0,0,0|1,0,2]=4 452 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,0,0,0,0|1,0,2]=4 453 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,0,0,0,0|1,0,2]=4 454 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [1,0,0,0,0,0|1,0,2]=4 455 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,0,0,0,0|2,0,1]=4 456 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,0,0,0,0|2,0,1]=4 457 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,0,0,0,0|2,0,1]=4 458 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,0,0,0,0,0|2,0,1]=4 459 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,0,0,0,0,0|2,0,1]=4 460 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,0,0,0,0|2,0,1]=4 461 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,0,0,0,0|2,0,1]=4 462 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [1,0,0,0,0,0|2,0,1]=4 463 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [1,0,0,0,0,0|2,0,1]=4 464 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [1,0,0,0,0,0|2,0,1]=4 465 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,0,0,0,0|1,1,1]=4 466 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,0,0,0,0|1,1,1]=4 467 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,0,0,0,0,0|1,1,1]=4 468 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [1,0,0,0,0,0|2,0,1]=4 469 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,0,0,0,0,0|2,0,1]=4 470 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [1,0,0,0,0,0|2,0,1]=4 471 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [1,0,0,0,0,0|2,0,1]=4 472 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,0,0,0,0,0|1,1,1]=4 473 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [1,0,0,0,0,0|2,0,1]=4 474 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [1,0,0,0,0,0|2,0,1]=4 475 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [1,0,0,0,0,0|2,0,1]=4 476 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,0,0,0,0|1,1,1]=4 477 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,0,0,0,0|1,1,1]=4 478 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,0,0,0,0,0|2,0,1]=4 479 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [1,0,0,0,0,0|2,0,1]=4 480 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [1,0,0,0,0,0|2,0,1]=4 481 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,0,0,0,0,0|1,1,1]=4 482 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,0,0,0,0,0|1,1,1]=4 483 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [1,0,0,0,0,0|2,0,1]=4 484 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [1,0,0,0,0,0|2,0,1]=4 485 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [1,0,0,0,0,0|2,0,1]=4 486 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [1,0,0,0,0,0|2,0,1]=4 487 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [1,0,0,0,0,0|2,0,1]=4 488 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [1,0,0,0,0,0|2,0,1]=4 489 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [1,0,0,0,0,0|2,0,1]=4 490 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [1,0,0,0,0,0|2,0,1]=4 491 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,0,0,0,0,0|1,1,1]=4 492 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [1,0,0,0,0,0|2,0,1]=4 493 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [1,0,0,0,0,0|2,0,1]=4 494 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,0,0,0,0,0|2,0,1]=4 495 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,0,0,0,0,0|2,0,1]=4 496 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [1,0,0,0,0,0|2,0,1]=4 497 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [1,0,0,0,0,0|2,0,1]=4 498 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [1,0,0,0,0,0|2,0,1]=4 499 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [1,0,0,0,0,0|2,0,1]=4 500 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,0,0,0,0,0|2,0,1]=4 501 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,0,0,0,0,0|1,1,1]=4 502 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,0,0,0,0,0|1,0,2]=4 503 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,0,0,0,0,0|1,0,2]=4 504 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,0,0,0,0,0|1,0,2]=4 505 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,0,0,0,0,0|1,0,2]=4 506 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,0,0,0,0,0|1,0,2]=4 507 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,0,0,0,0,0|1,0,2]=4 508 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,0,0,0,0,0|1,0,2]=4 509 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,0,0,0,0,0|2,0,1]=4 510 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,0,0,0,0,0|2,0,1]=4 511 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,0,0,0,0,0|2,0,1]=4 512 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,0,0,0,0,0|2,0,1]=4 513 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,0,0,0,0,0|2,0,1]=4 514 B6R0.6 CCOCCON 34a_100000700252_100000210202 [1,0,0,0,0,0|3,0,0]=4 515 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,0,0,0,0,0|2,0,1]=4 516 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,0,0,0,0,0|2,0,1]=4 517 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,0,0,0,0,0|2,0,1]=4 518 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,0,0,0,0,0|2,0,1]=4 519 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,0,0,0,0,0|2,0,1]=4 520 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,0,0,0,0,0|2,0,1]=4 521 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,0,0,0,0,0|2,0,1]=4 522 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,0,0,0,0,0|2,0,1]=4 523 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,0,0,0,0,0|2,0,1]=4 524 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [1,0,0,0,0,0|2,0,1]=4 525 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [1,0,0,0,0,0|2,0,1]=4 526 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [1,0,0,0,0,0|2,0,1]=4 527 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [1,0,0,0,0,0|2,0,1]=4 528 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,0,0,0,0,0|1,1,1]=4 529 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,0,0,0,0,0|1,1,1]=4 530 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,0,0,0,0,0|1,0,2]=4 531 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,0,0,0,0,0|1,0,2]=4 532 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,0,0,0,0,0|1,0,2]=4 533 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,0,0,0,0,0|1,0,2]=4 534 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,0,0,0,0,0|1,0,2]=4 535 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,0,0,0,0,0|2,0,1]=4 536 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,0,0,0,0,0|2,0,1]=4 537 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,0,0,0,0,0|2,0,1]=4 538 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,0,0,0,0,0|2,0,1]=4 539 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,0,0,0,0,0|2,0,1]=4 540 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,0,0,0,0,0|2,0,1]=4 541 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,0,0,0,0,0|2,0,1]=4 542 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,0,0,0,0,0|2,0,1]=4 543 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,0,0,0,0,0|2,0,1]=4 544 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,0,0,0,0,0|2,0,1]=4 545 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,0,0,0,0,0|2,0,1]=4 546 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,0,0,0,0,0|2,0,1]=4 547 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,0,0,0,0,0|2,0,1]=4 548 B6R0.6 CNCCCC#N 2230a_106832991635_100000687738 [1,0,0,0,0,0|2,0,1]=4 549 B6R0.6 CNCCCC#N 7a_106832991635_100000687738 [1,0,0,0,0,0|2,0,1]=4 550 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,0,0,0,0,0|1,1,1]=4 551 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,0,0,0,0,0|1,1,1]=4 552 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [1,0,0,0,0,0|1,0,2]=4 553 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [1,0,0,0,0,0|1,0,2]=4 554 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [1,0,0,0,0,0|1,0,2]=4 555 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [1,0,0,0,0,0|1,0,2]=4 556 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [1,0,0,0,0,0|1,0,2]=4 557 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [1,0,0,0,0,0|1,0,2]=4 558 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [1,0,0,0,0,0|1,0,2]=4 559 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [1,0,0,0,0,0|1,0,2]=4 560 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [1,0,0,0,0,0|1,0,2]=4 561 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [1,0,0,0,0,0|1,0,2]=4 562 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [1,0,0,0,0,0|1,0,2]=4 563 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [1,0,0,0,0,0|1,0,2]=4 564 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [1,0,0,0,0,0|1,0,2]=4 565 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [1,0,0,0,0,0|1,0,2]=4 566 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [1,0,0,0,0,0|1,0,2]=4 567 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [1,0,0,0,0,0|2,0,1]=4 568 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [1,0,0,0,0,0|2,0,1]=4 569 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [1,0,0,0,0,0|2,0,1]=4 570 B6R0.6 COCCCCF 34a_100011995726_200000210301 [1,0,0,0,0,0|2,0,1]=4 571 B6R0.6 COCCCCF 34a_100138415774_100000729493 [1,0,0,0,0,0|2,0,1]=4 572 B6R0.6 COCCCCF 7a_100011995726_200000210301 [1,0,0,0,0,0|2,0,1]=4 573 B6R0.6 COCCCCI 34a_200012148704_200000210301 [1,0,0,0,0,0|2,0,1]=4 574 B6R0.6 COCCCCN 34a_100000750430_200000210301 [1,0,0,0,0,0|2,0,1]=4 575 B6R0.6 COCCCCO 34a_100138415774_100011216708 [1,0,0,0,0,0|1,1,1]=4 576 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [1,0,0,0,0,0|1,0,2]=4 577 B6R0.6 COCCCOC 34a_100000740835_200000210301 [1,0,0,0,0,0|2,0,1]=4 578 B6R0.6 COCCCOC 34a_100138415774_100000740836 [1,0,0,0,0,0|2,0,1]=4 579 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [1,0,0,0,0,0|2,0,1]=4 580 B6R0.6 COCCCSC 34a_100000690336_200000210301 [1,0,0,0,0,0|2,0,1]=4 581 B6R0.6 COCCCSC 62a_100000709357_200000210301 [1,0,0,0,0,0|2,0,1]=4 582 B6R0.6 COCCCSC 62a_200000210301_100000709357 [1,0,0,0,0,0|2,0,1]=4 583 B6R0.6 COCCCSC 7a_100000690336_200000210301 [1,0,0,0,0,0|2,0,1]=4 584 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [1,0,0,0,0,0|2,0,1]=4 585 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [1,0,0,0,0,0|2,0,1]=4 586 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [1,0,0,0,0,0|2,0,1]=4 587 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [1,0,0,0,0,0|2,0,1]=4 588 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,0,0,0,0,0|1,1,1]=4 589 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,0,0,0,0,0|1,1,1]=4 590 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [1,0,0,0,0,0|2,0,1]=4 591 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [1,0,0,0,0,0|2,0,1]=4 592 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,0,0,0,0,0|1,1,1]=4 593 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,0,0,0,0,0|1,1,1]=4 594 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [1,0,0,0,0,0|1,0,2]=4 595 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [1,0,0,0,0,0|2,0,1]=4 596 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [1,0,0,0,0,0|2,0,1]=4 597 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [1,0,0,0,0,0|1,0,2]=4 598 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [1,0,0,0,0,0|1,0,2]=4 599 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [1,0,0,0,0,0|2,0,1]=4 600 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [1,0,0,0,0,0|2,0,1]=4 601 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [1,0,0,0,0,0|2,0,1]=4 602 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [1,0,0,0,0,0|2,0,1]=4 603 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [1,0,0,0,0,0|2,0,1]=4 604 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [1,0,0,0,0,0|2,0,1]=4 605 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [1,0,0,0,0,0|2,0,1]=4 606 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [1,0,0,0,0,0|2,0,1]=4 607 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [1,0,0,0,0,0|2,0,1]=4 608 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,0,0,0,0,0|1,1,1]=4 609 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,0,0,0,0,0|1,1,1]=4 610 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [1,0,0,0,0,0|2,0,1]=4 611 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [1,0,0,0,0,0|2,0,1]=4 612 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,0,0,0,0,0|1,1,1]=4 613 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,0,0,0,0,0|1,1,1]=4 614 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [0,1,0,0,0,0|3,0,0]=4 615 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [0,1,0,0,0,0|3,0,0]=4 616 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [0,1,0,0,0,0|3,0,0]=4 617 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [0,1,0,0,0,0|3,0,0]=4 618 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [0,1,0,0,0,0|1,0,2]=4 619 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [0,1,0,0,0,0|1,0,2]=4 620 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [0,1,0,0,0,0|2,0,1]=4 621 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [0,1,0,0,0,0|2,0,1]=4 622 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [0,1,0,0,0,0|2,0,1]=4 623 B8R0.1 CCCC(C)COCF 34a_100000688023_100015361967 [0,1,0,0,0,0|2,0,1]=4 624 B8R0.1 CCCC(C)COCF 7a_100000688023_100015361967 [0,1,0,0,0,0|2,0,1]=4 625 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [0,1,0,0,0,0|2,0,1]=4 626 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [0,1,0,0,0,0|2,0,1]=4 627 B8R0.1 CCCC(C)CSCF 62a_100011216630_100015361967 [0,1,0,0,0,0|2,0,1]=4 628 B8R0.1 CCCC(C)CSCF 62a_100015361967_100011216630 [0,1,0,0,0,0|2,0,1]=4 629 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [0,1,0,0,0,0|3,0,0]=4 630 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [0,1,0,0,0,0|3,0,0]=4 631 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [0,1,0,0,0,0|3,0,0]=4 632 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [0,1,0,0,0,0|3,0,0]=4 633 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [0,1,0,0,0,0|1,0,2]=4 634 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [0,1,0,0,0,0|1,0,2]=4 635 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [0,1,0,0,0,0|1,0,2]=4 636 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,1,0,0,0,0|2,0,1]=4 637 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,1,0,0,0,0|2,0,1]=4 638 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,1,0,0,0,0|2,0,1]=4 639 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [0,1,0,0,0,0|2,0,1]=4 640 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [0,1,0,0,0,0|2,0,1]=4 641 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [0,1,0,0,0,0|2,0,1]=4 642 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [0,1,0,0,0,0|2,0,1]=4 643 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [0,1,0,0,0,0|2,0,1]=4 644 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [0,1,0,0,0,0|2,0,1]=4 645 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [0,1,0,0,0,0|3,0,0]=4 646 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [0,1,0,0,0,0|3,0,0]=4 647 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [0,1,0,0,0,0|3,0,0]=4 648 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [0,1,0,0,0,0|3,0,0]=4 649 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [0,1,0,0,0,0|2,0,1]=4 650 B8R0.1 CCC[C@H](N)COCF 34a_100000732646_100015361967 [0,1,0,0,0,0|2,0,1]=4 651 B8R0.4 C#CCCCCCNC 2230a_106832991635_100012094781 [0,1,0,0,0,0|2,0,1]=4 652 B8R0.4 C#CCCCCCNC 34a_100102657272_100012094781 [0,1,0,0,0,0|2,0,1]=4 653 B8R0.4 C#CCCCCCNC 7a_106832991635_100012094781 [0,1,0,0,0,0|2,0,1]=4 654 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [0,1,0,0,0,0|2,0,1]=4 655 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [0,1,0,0,0,0|2,0,1]=4 656 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [0,1,0,0,0,0|2,0,1]=4 657 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [0,1,0,0,0,0|2,0,1]=4 658 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [0,1,0,0,0,0|2,0,1]=4 659 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [0,1,0,0,0,0|2,0,1]=4 660 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [0,1,0,0,0,0|2,0,1]=4 661 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [0,1,0,0,0,0|2,0,1]=4 662 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [0,1,0,0,0,0|2,0,1]=4 663 B8R0.4 C#CCCCCNCC 2230a_100000706060_100000210202 [0,1,0,0,0,0|2,0,1]=4 664 B8R0.4 C#CCCCCNCC 2230a_100015525214_100010269958 [0,1,0,0,0,0|2,0,1]=4 665 B8R0.4 C#CCCCCNCC 34a_100000706060_100000210202 [0,1,0,0,0,0|2,0,1]=4 666 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [0,1,0,0,0,0|2,0,1]=4 667 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [0,1,0,0,0,0|2,0,1]=4 668 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [0,1,0,0,0,0|2,0,1]=4 669 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [0,1,0,0,0,0|2,0,1]=4 670 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [0,1,0,0,0,0|2,0,1]=4 671 B8R0.4 C#CCCCNCCC 34a_100000718082_100000210303 [0,1,0,0,0,0|2,0,1]=4 672 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [0,1,0,0,0,0|2,0,1]=4 673 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [0,1,0,0,0,0|2,0,1]=4 674 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [0,1,0,0,0,0|2,0,1]=4 675 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [0,1,0,0,0,0|2,0,1]=4 676 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [0,1,0,0,0,0|2,0,1]=4 677 B8R0.4 C#CCCNCCCC 2230a_100000102301_100000688953 [0,1,0,0,0,0|2,0,1]=4 678 B8R0.4 C#CCCNCCCC 34a_100000755551_100000210210 [0,1,0,0,0,0|2,0,1]=4 679 B8R0.4 C#CCCNCCCC 7a_106832991798_100000688953 [0,1,0,0,0,0|2,0,1]=4 680 B8R0.4 C#CCCOCCCC 34a_100000210227_100000688953 [0,1,0,0,0,0|2,0,1]=4 681 B8R0.4 C#CCCOCCCC 34a_100011215631_100000210210 [0,1,0,0,0,0|2,0,1]=4 682 B8R0.4 C#CCCOCCCC 7a_100000210227_100000688953 [0,1,0,0,0,0|2,0,1]=4 683 B8R0.4 C#CCCSCCCC 62a_100000210211_100000688953 [0,1,0,0,0,0|2,0,1]=4 684 B8R0.4 C#CCCSCCCC 62a_100000688953_100000210210 [0,1,0,0,0,0|2,0,1]=4 685 B8R0.4 C#CCNCCCCC 2230a_100000209983_100000038162 [0,1,0,0,0,0|1,0,2]=4 686 B8R0.4 C#CCNCCCCC 34a_100000212058_100000718602 [0,1,0,0,0,0|1,0,2]=4 687 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [0,1,0,0,0,0|2,0,1]=4 688 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [0,1,0,0,0,0|2,0,1]=4 689 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [0,1,0,0,0,0|2,0,1]=4 690 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [0,1,0,0,0,0|2,0,1]=4 691 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [0,1,0,0,0,0|2,0,1]=4 692 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [0,1,0,0,0,0|2,0,1]=4 693 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [0,1,0,0,0,0|2,0,1]=4 694 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [0,1,0,0,0,0|2,0,1]=4 695 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [0,1,0,0,0,0|2,0,1]=4 696 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [0,1,0,0,0,0|2,0,1]=4 697 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [0,1,0,0,0,0|2,0,1]=4 698 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [0,1,0,0,0,0|2,0,1]=4 699 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [0,1,0,0,0,0|2,0,1]=4 700 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [0,1,0,0,0,0|2,0,1]=4 701 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [0,1,0,0,0,0|2,0,1]=4 702 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [0,1,0,0,0,0|2,0,1]=4 703 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [0,1,0,0,0,0|2,0,1]=4 704 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [0,1,0,0,0,0|2,0,1]=4 705 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [0,1,0,0,0,0|2,0,1]=4 706 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [0,1,0,0,0,0|2,0,1]=4 707 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [0,1,0,0,0,0|2,0,1]=4 708 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [0,1,0,0,0,0|2,0,1]=4 709 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [0,1,0,0,0,0|2,0,1]=4 710 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [0,1,0,0,0,0|2,0,1]=4 711 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [0,1,0,0,0,0|2,0,1]=4 712 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [0,1,0,0,0,0|2,0,1]=4 713 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [0,1,0,0,0,0|2,0,1]=4 714 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [0,1,0,0,0,0|2,0,1]=4 715 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [0,1,0,0,0,0|2,0,1]=4 716 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [0,1,0,0,0,0|2,0,1]=4 717 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [0,1,0,0,0,0|2,0,1]=4 718 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [0,1,0,0,0,0|2,0,1]=4 719 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [0,1,0,0,0,0|2,0,1]=4 720 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [0,1,0,0,0,0|2,0,1]=4 721 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [0,1,0,0,0,0|2,0,1]=4 722 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [0,1,0,0,0,0|2,0,1]=4 723 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [0,1,0,0,0,0|2,0,1]=4 724 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [0,1,0,0,0,0|2,0,1]=4 725 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [0,1,0,0,0,0|2,0,1]=4 726 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [0,1,0,0,0,0|2,0,1]=4 727 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [0,1,0,0,0,0|2,0,1]=4 728 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [0,1,0,0,0,0|2,0,1]=4 729 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [0,1,0,0,0,0|2,0,1]=4 730 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [0,1,0,0,0,0|2,0,1]=4 731 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [0,1,0,0,0,0|2,0,1]=4 732 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [0,1,0,0,0,0|2,0,1]=4 733 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [0,1,0,0,0,0|1,0,2]=4 734 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [0,1,0,0,0,0|1,0,2]=4 735 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [0,1,0,0,0,0|2,0,1]=4 736 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [0,1,0,0,0,0|2,0,1]=4 737 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [0,1,0,0,0,0|2,0,1]=4 738 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [0,1,0,0,0,0|2,0,1]=4 739 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [0,1,0,0,0,0|2,0,1]=4 740 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [0,1,0,0,0,0|2,0,1]=4 741 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [0,1,0,0,0,0|2,0,1]=4 742 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [0,1,0,0,0,0|2,0,1]=4 743 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [0,1,0,0,0,0|2,0,1]=4 744 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [0,1,0,0,0,0|2,0,1]=4 745 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [0,1,0,0,0,0|2,0,1]=4 746 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [0,1,0,0,0,0|2,0,1]=4 747 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [0,1,0,0,0,0|2,0,1]=4 748 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [0,1,0,0,0,0|2,0,1]=4 749 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [0,1,0,0,0,0|2,0,1]=4 750 B8R0.4 CC#CCCOCCC 34a_100000750427_100000210303 [0,1,0,0,0,0|2,0,1]=4 751 B8R0.4 CC#CCNCCCC 2230a_100000102301_100000748600 [0,1,0,0,0,0|2,0,1]=4 752 B8R0.4 CC#CCNCCCC 2230a_100000685387_100000210211 [0,1,0,0,0,0|2,0,1]=4 753 B8R0.4 CC#CCNCCCC 34a_100000685387_100000210210 [0,1,0,0,0,0|2,0,1]=4 754 B8R0.4 CC#CCNCCCC 7a_106832991798_100000748600 [0,1,0,0,0,0|2,0,1]=4 755 B8R0.4 CC#CCOCCCC 34a_100000210227_100000748600 [0,1,0,0,0,0|2,0,1]=4 756 B8R0.4 CC#CCOCCCC 34a_100000761923_100000210210 [0,1,0,0,0,0|2,0,1]=4 757 B8R0.4 CC#CCOCCCC 7a_100000210227_100000748600 [0,1,0,0,0,0|2,0,1]=4 758 B8R0.4 CC#CCSCCCC 62a_100000210211_100000748600 [0,1,0,0,0,0|2,0,1]=4 759 B8R0.4 CC#CCSCCCC 62a_100000748600_100000210210 [0,1,0,0,0,0|2,0,1]=4 760 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [0,1,0,0,0,0|3,0,0]=4 761 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [0,1,0,0,0,0|2,0,1]=4 762 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [0,1,0,0,0,0|2,0,1]=4 763 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [0,1,0,0,0,0|2,0,1]=4 764 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [0,1,0,0,0,0|2,0,1]=4 765 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [0,1,0,0,0,0|2,0,1]=4 766 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [0,1,0,0,0,0|2,0,1]=4 767 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [0,1,0,0,0,0|2,0,1]=4 768 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [0,1,0,0,0,0|1,0,1]=3 769 B8R0.4 CC=NNCCOCC 4a_100000732670_200000210099 [0,1,0,0,0,0|2,0,1]=4 770 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [0,1,0,0,0,0|2,0,1]=4 771 B8R0.4 CCCCC=NNCC 4a_100000756455_100000210104 [0,1,0,0,0,0|1,0,2]=4 772 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [0,1,0,0,0,0|2,0,1]=4 773 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [0,1,0,0,0,0|2,0,1]=4 774 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [0,1,0,0,0,0|2,0,1]=4 775 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [0,1,0,0,0,0|2,0,1]=4 776 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [0,1,0,0,0,0|2,0,1]=4 777 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [0,1,0,0,0,0|1,1,1]=4 778 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [0,1,0,0,0,0|1,1,1]=4 779 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [0,1,0,0,0,0|1,1,1]=4 780 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [0,1,0,0,0,0|1,1,1]=4 781 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [0,1,0,0,0,0|1,1,1]=4 782 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [0,1,0,0,0,0|1,0,2]=4 783 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [0,1,0,0,0,0|1,0,2]=4 784 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [0,1,0,0,0,0|1,0,2]=4 785 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [0,1,0,0,0,0|1,0,2]=4 786 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [0,1,0,0,0,0|1,0,2]=4 787 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [0,1,0,0,0,0|1,0,2]=4 788 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [0,1,0,0,0,0|2,0,1]=4 789 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [0,1,0,0,0,0|2,0,1]=4 790 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [0,1,0,0,0,0|2,0,1]=4 791 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [0,1,0,0,0,0|2,0,1]=4 792 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [0,1,0,0,0,0|2,0,1]=4 793 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [0,1,0,0,0,0|2,0,1]=4 794 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [0,1,0,0,0,0|2,0,1]=4 795 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [0,1,0,0,0,0|2,0,1]=4 796 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [0,1,0,0,0,0|2,0,1]=4 797 B8R0.4 CCCCCNCC#N 2230a_100000209983_100011215382 [0,1,0,0,0,0|1,0,2]=4 798 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [0,1,0,0,0,0|0,1,2]=4 799 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [0,1,0,0,0,0|1,0,2]=4 800 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [0,1,0,0,0,0|1,0,2]=4 801 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [0,1,0,0,0,0|1,0,2]=4 802 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [0,1,0,0,0,0|0,1,2]=4 803 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [0,1,0,0,0,0|0,1,2]=4 804 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [0,1,0,0,0,0|0,1,2]=4 805 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [0,1,0,0,0,0|0,1,2]=4 806 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [0,1,0,0,0,0|0,0,3]=4 807 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [0,1,0,0,0,0|2,0,1]=4 808 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [0,1,0,0,0,0|1,1,1]=4 809 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [0,1,0,0,0,0|1,1,1]=4 810 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [0,1,0,0,0,0|2,0,1]=4 811 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [0,1,0,0,0,0|2,0,1]=4 812 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [0,1,0,0,0,0|2,0,1]=4 813 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [0,1,0,0,0,0|2,0,1]=4 814 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [0,1,0,0,0,0|2,0,1]=4 815 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [0,1,0,0,0,0|2,0,1]=4 816 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [0,1,0,0,0,0|2,0,1]=4 817 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [0,1,0,0,0,0|1,1,1]=4 818 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [0,1,0,0,0,0|1,1,1]=4 819 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [0,1,0,0,0,0|1,0,2]=4 820 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [0,1,0,0,0,0|2,0,1]=4 821 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [0,1,0,0,0,0|2,0,1]=4 822 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [0,1,0,0,0,0|1,1,1]=4 823 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [0,1,0,0,0,0|1,1,1]=4 824 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [0,1,0,0,0,0|2,0,1]=4 825 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [0,1,0,0,0,0|2,0,1]=4 826 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [0,1,0,0,0,0|2,0,1]=4 827 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [0,1,0,0,0,0|2,0,1]=4 828 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [0,1,0,0,0,0|1,1,1]=4 829 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [0,1,0,0,0,0|1,1,1]=4 830 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [0,1,0,0,0,0|1,1,1]=4 831 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [0,1,0,0,0,0|1,1,1]=4 832 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [0,1,0,0,0,0|1,0,2]=4 833 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [0,1,0,0,0,0|1,0,2]=4 834 B8R0.4 CCCCNCCC#N 2230a_100000102301_100011215226 [0,1,0,0,0,0|2,0,1]=4 835 B8R0.4 CCCCNCCC#N 7a_106832991798_100000184422 [0,1,0,0,0,0|2,0,1]=4 836 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [0,1,0,0,0,0|2,0,1]=4 837 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [0,1,0,0,0,0|2,0,1]=4 838 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [0,1,0,0,0,0|2,0,1]=4 839 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [0,1,0,0,0,0|2,0,1]=4 840 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [0,1,0,0,0,0|2,0,1]=4 841 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [0,1,0,0,0,0|2,0,1]=4 842 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [0,1,0,0,0,0|1,1,1]=4 843 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [0,1,0,0,0,0|1,1,1]=4 844 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [0,1,0,0,0,0|3,0,0]=4 845 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [0,1,0,0,0,0|3,0,0]=4 846 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [0,1,0,0,0,0|3,0,0]=4 847 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [0,1,0,0,0,0|3,0,0]=4 848 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [0,1,0,0,0,0|3,0,0]=4 849 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [0,1,0,0,0,0|3,0,0]=4 850 B8R0.4 CCCCOCCC#N 7a_100000210227_100000184422 [0,1,0,0,0,0|2,0,1]=4 851 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [0,1,0,0,0,0|2,0,1]=4 852 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [0,1,0,0,0,0|2,0,1]=4 853 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [0,1,0,0,0,0|2,0,1]=4 854 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [0,1,0,0,0,0|2,0,1]=4 855 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [0,1,0,0,0,0|2,0,1]=4 856 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [0,1,0,0,0,0|2,0,1]=4 857 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [0,1,0,0,0,0|2,0,1]=4 858 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [0,1,0,0,0,0|2,0,1]=4 859 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [0,1,0,0,0,0|1,1,1]=4 860 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [0,1,0,0,0,0|1,1,1]=4 861 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [0,1,0,0,0,0|3,0,0]=4 862 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [0,1,0,0,0,0|3,0,0]=4 863 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [0,1,0,0,0,0|3,0,0]=4 864 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [0,1,0,0,0,0|3,0,0]=4 865 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [0,1,0,0,0,0|3,0,0]=4 866 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [0,1,0,0,0,0|3,0,0]=4 867 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [0,1,0,0,0,0|3,0,0]=4 868 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [0,1,0,0,0,0|3,0,0]=4 869 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [0,1,0,0,0,0|3,0,0]=4 870 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [0,1,0,0,0,0|3,0,0]=4 871 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [0,1,0,0,0,0|3,0,0]=4 872 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [0,1,0,0,0,0|3,0,0]=4 873 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [0,1,0,0,0,0|3,0,0]=4 874 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [0,1,0,0,0,0|3,0,0]=4 875 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [0,1,0,0,0,0|3,0,0]=4 876 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [0,1,0,0,0,0|3,0,0]=4 877 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [0,1,0,0,0,0|3,0,0]=4 878 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [0,1,0,0,0,0|3,0,0]=4 879 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [0,1,0,0,0,0|3,0,0]=4 880 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [0,1,0,0,0,0|3,0,0]=4 881 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [0,1,0,0,0,0|1,0,2]=4 882 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [0,1,0,0,0,0|2,0,1]=4 883 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [0,1,0,0,0,0|2,0,1]=4 884 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [0,1,0,0,0,0|2,0,1]=4 885 B8R0.4 CCCCOCSCF 62a_100011995733_100015361967 [0,1,0,0,0,0|2,0,1]=4 886 B8R0.4 CCCCOCSCF 62a_100015361967_100011995733 [0,1,0,0,0,0|2,0,1]=4 887 B8R0.4 CCCCSCCC#N 62a_100000210211_100011215226 [0,1,0,0,0,0|2,0,1]=4 888 B8R0.4 CCCCSCCC#N 62a_100011215226_100000210210 [0,1,0,0,0,0|2,0,1]=4 889 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [0,1,0,0,0,0|2,0,1]=4 890 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [0,1,0,0,0,0|2,0,1]=4 891 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [0,1,0,0,0,0|2,0,1]=4 892 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [0,1,0,0,0,0|1,1,1]=4 893 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [0,1,0,0,0,0|1,1,1]=4 894 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [0,1,0,0,0,0|3,0,0]=4 895 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [0,1,0,0,0,0|3,0,0]=4 896 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [0,1,0,0,0,0|3,0,0]=4 897 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [0,1,0,0,0,0|3,0,0]=4 898 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [0,1,0,0,0,0|3,0,0]=4 899 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [0,1,0,0,0,0|3,0,0]=4 900 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [0,1,0,0,0,0|3,0,0]=4 901 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [0,1,0,0,0,0|3,0,0]=4 902 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [0,1,0,0,0,0|3,0,0]=4 903 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [0,1,0,0,0,0|3,0,0]=4 904 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [0,1,0,0,0,0|2,0,1]=4 905 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [0,1,0,0,0,0|2,0,1]=4 906 B8R0.4 CCCCSCSC#N 62a_100000210211_100000211825 [0,1,0,0,0,0|2,0,1]=4 907 B8R0.4 CCCCSCSC#N 62a_100000211825_100000210210 [0,1,0,0,0,0|2,0,1]=4 908 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [0,1,0,0,0,0|1,1,1]=4 909 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [0,1,0,0,0,0|1,1,1]=4 910 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [0,1,0,0,0,0|3,0,0]=4 911 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [0,1,0,0,0,0|3,0,0]=4 912 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [0,1,0,0,0,0|2,0,1]=4 913 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [0,1,0,0,0,0|2,0,1]=4 914 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [0,1,0,0,0,0|2,0,1]=4 915 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [0,1,0,0,0,0|2,0,1]=4 916 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [0,1,0,0,0,0|2,0,1]=4 917 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [0,1,0,0,0,0|2,0,1]=4 918 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [0,1,0,0,0,0|2,0,1]=4 919 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [0,1,0,0,0,0|2,0,1]=4 920 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [0,1,0,0,0,0|2,0,1]=4 921 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [0,1,0,0,0,0|2,0,1]=4 922 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [0,1,0,0,0,0|2,0,1]=4 923 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [0,1,0,0,0,0|1,1,1]=4 924 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [0,1,0,0,0,0|3,0,0]=4 925 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [0,1,0,0,0,0|3,0,0]=4 926 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [0,1,0,0,0,0|3,0,0]=4 927 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [0,1,0,0,0,0|3,0,0]=4 928 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [0,1,0,0,0,0|3,0,0]=4 929 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [0,1,0,0,0,0|3,0,0]=4 930 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [0,1,0,0,0,0|3,0,0]=4 931 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [0,1,0,0,0,0|3,0,0]=4 932 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [0,1,0,0,0,0|3,0,0]=4 933 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [0,1,0,0,0,0|1,0,2]=4 934 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [0,1,0,0,0,0|1,0,2]=4 935 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [0,1,0,0,0,0|1,0,2]=4 936 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [0,1,0,0,0,0|1,0,2]=4 937 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [0,1,0,0,0,0|2,0,1]=4 938 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [0,1,0,0,0,0|2,0,1]=4 939 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [0,1,0,0,0,0|2,0,1]=4 940 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [0,1,0,0,0,0|2,0,1]=4 941 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [0,1,0,0,0,0|2,0,1]=4 942 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [0,1,0,0,0,0|2,0,1]=4 943 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [0,1,0,0,0,0|2,0,1]=4 944 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [0,1,0,0,0,0|2,0,1]=4 945 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [0,1,0,0,0,0|2,0,1]=4 946 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [0,1,0,0,0,0|2,0,1]=4 947 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [0,1,0,0,0,0|2,0,1]=4 948 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [0,1,0,0,0,0|2,0,1]=4 949 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [0,1,0,0,0,0|2,0,1]=4 950 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [0,1,0,0,0,0|2,0,1]=4 951 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [0,1,0,0,0,0|2,0,1]=4 952 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [0,1,0,0,0,0|2,0,1]=4 953 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [0,1,0,0,0,0|2,0,1]=4 954 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [0,1,0,0,0,0|1,1,1]=4 955 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [0,1,0,0,0,0|1,1,1]=4 956 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [0,1,0,0,0,0|2,0,1]=4 957 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [0,1,0,0,0,0|2,0,1]=4 958 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [0,1,0,0,0,0|1,1,1]=4 959 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [0,1,0,0,0,0|1,1,1]=4 960 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [0,1,0,0,0,0|3,0,0]=4 961 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [0,1,0,0,0,0|3,0,0]=4 962 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [0,1,0,0,0,0|1,0,2]=4 963 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [0,1,0,0,0,0|2,0,1]=4 964 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [0,1,0,0,0,0|2,0,1]=4 965 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [0,1,0,0,0,0|2,0,1]=4 966 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [0,1,0,0,0,0|2,0,1]=4 967 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [0,1,0,0,0,0|2,0,1]=4 968 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [0,1,0,0,0,0|2,0,1]=4 969 B8R0.4 CCCSCCSC#N 62a_100000034367_100000210303 [0,1,0,0,0,0|2,0,1]=4 970 B8R0.4 CCCSCCSC#N 62a_100000210303_100000034367 [0,1,0,0,0,0|2,0,1]=4 971 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [0,1,0,0,0,0|2,0,1]=4 972 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [0,1,0,0,0,0|2,0,1]=4 973 B8R0.4 CCNCCCCC#N 2230a_100015525214_100000211819 [0,1,0,0,0,0|2,0,1]=4 974 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [0,1,0,0,0,0|1,1,1]=4 975 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [0,1,0,0,0,0|1,0,2]=4 976 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [0,1,0,0,0,0|1,0,2]=4 977 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [0,1,0,0,0,0|1,0,2]=4 978 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [0,1,0,0,0,0|1,0,2]=4 979 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [0,1,0,0,0,0|1,0,2]=4 980 B8R0.4 CCNCCCN=[N+]=[N-] 2230a_100000744732_100000210202 [0,1,0,0,0,0|2,0,0]=3 981 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [0,1,0,0,0,0|1,0,2]=4 982 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [0,1,0,0,0,0|1,0,2]=4 983 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [0,1,0,0,0,0|1,0,2]=4 984 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [0,1,0,0,0,0|2,0,1]=4 985 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [0,1,0,0,0,0|2,0,1]=4 986 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [0,1,0,0,0,0|2,0,1]=4 987 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [0,1,0,0,0,0|2,0,1]=4 988 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [0,1,0,0,0,0|2,0,1]=4 989 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [0,1,0,0,0,0|2,0,1]=4 990 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [0,1,0,0,0,0|2,0,1]=4 991 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [0,1,0,0,0,0|2,0,1]=4 992 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [0,1,0,0,0,0|1,1,1]=4 993 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [0,1,0,0,0,0|2,0,1]=4 994 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [0,1,0,0,0,0|2,0,1]=4 995 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [0,1,0,0,0,0|2,0,1]=4 996 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [0,1,0,0,0,0|2,0,1]=4 997 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [0,1,0,0,0,0|1,0,2]=4 998 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [0,1,0,0,0,0|2,0,1]=4 999 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [0,1,0,0,0,0|2,0,1]=4 1000 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [0,1,0,0,0,0|2,0,1]=4 1001 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [0,1,0,0,0,0|2,0,1]=4 1002 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [0,1,0,0,0,0|2,0,1]=4 1003 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [0,1,0,0,0,0|2,0,1]=4 1004 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [0,1,0,0,0,0|2,0,1]=4 1005 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [0,1,0,0,0,0|2,0,1]=4 1006 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [0,1,0,0,0,0|2,0,1]=4 1007 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [0,1,0,0,0,0|2,0,1]=4 1008 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [0,1,0,0,0,0|2,0,1]=4 1009 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [0,1,0,0,0,0|2,0,1]=4 1010 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [0,1,0,0,0,0|2,0,1]=4 1011 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [0,1,0,0,0,0|1,1,1]=4 1012 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [0,1,0,0,0,0|1,1,1]=4 1013 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [0,1,0,0,0,0|2,0,1]=4 1014 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [0,1,0,0,0,0|2,0,1]=4 1015 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [0,1,0,0,0,0|1,1,1]=4 1016 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [0,1,0,0,0,0|1,1,1]=4 1017 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [0,1,0,0,0,0|2,0,1]=4 1018 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [0,1,0,0,0,0|2,0,1]=4 1019 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [0,1,0,0,0,0|2,0,1]=4 1020 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [0,1,0,0,0,0|2,0,1]=4 1021 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [0,1,0,0,0,0|2,0,1]=4 1022 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [0,1,0,0,0,0|2,0,1]=4 1023 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [0,1,0,0,0,0|1,1,1]=4 1024 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [0,1,0,0,0,0|1,1,1]=4 1025 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [0,1,0,0,0,0|2,0,1]=4 1026 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [0,1,0,0,0,0|2,0,1]=4 1027 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [0,1,0,0,0,0|2,0,1]=4 1028 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [0,1,0,0,0,0|1,1,1]=4 1029 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [0,1,0,0,0,0|1,1,1]=4 1030 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [0,1,0,0,0,0|1,1,1]=4 1031 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [0,1,0,0,0,0|1,1,1]=4 1032 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [0,1,0,0,0,0|1,1,1]=4 1033 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [0,1,0,0,0,0|3,0,0]=4 1034 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [0,1,0,0,0,0|3,0,0]=4 1035 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [0,1,0,0,0,0|3,0,0]=4 1036 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [0,1,0,0,0,0|3,0,0]=4 1037 B8R0.4 CNCCCCN=[N+]=[N-] 2230a_100000101370_200000210301 [0,1,0,0,0,0|2,0,0]=3 1038 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [0,1,0,0,0,0|2,0,1]=4 1039 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [0,1,0,0,0,0|2,0,1]=4 1040 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [0,1,0,0,0,0|2,0,1]=4 1041 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [0,1,0,0,0,0|2,0,1]=4 1042 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [0,1,0,0,0,0|2,0,1]=4 1043 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [0,1,0,0,0,0|2,0,1]=4 1044 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [0,1,0,0,0,0|2,0,1]=4 1045 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [0,1,0,0,0,0|2,0,1]=4 1046 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [0,1,0,0,0,0|1,1,1]=4 1047 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [0,1,0,0,0,0|3,0,0]=4 1048 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [0,1,0,0,0,0|3,0,0]=4 1049 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [0,1,0,0,0,0|2,0,1]=4 1050 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [0,1,0,0,0,0|2,0,1]=4 1051 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [0,1,0,0,0,0|2,0,1]=4 1052 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [0,1,0,0,0,0|2,0,1]=4 1053 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [0,1,0,0,0,0|2,0,1]=4 1054 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [0,1,0,0,0,0|1,1,1]=4 1055 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [0,1,0,0,0,0|1,1,1]=4 1056 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [0,1,0,0,0,0|2,0,1]=4 1057 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [0,1,0,0,0,0|2,0,1]=4 1058 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [0,1,0,0,0,0|1,1,1]=4 1059 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [0,1,0,0,0,0|1,1,1]=4 1060 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [0,1,0,0,0,0|2,0,1]=4 1061 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [0,1,0,0,0,0|2,0,1]=4 1062 B8R0.4 FCCCCCSCF 62a_100000729378_100015361967 [0,1,0,0,0,0|2,0,1]=4 1063 B8R0.4 FCCCCCSCF 62a_100015361967_100000729378 [0,1,0,0,0,0|2,0,1]=4 1064 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [0,1,0,0,0,0|2,0,1]=4 1065 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [0,1,0,0,0,0|2,0,1]=4 1066 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [0,1,0,0,0,0|2,0,1]=4 1067 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [0,1,0,0,0,0|2,0,1]=4 1068 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [0,1,0,0,0,0|2,0,1]=4 1069 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [0,1,0,0,0,0|2,0,1]=4 1070 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [0,1,0,0,0,0|2,0,1]=4 1071 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [0,1,0,0,0,0|1,0,2]=4 1072 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [0,1,0,0,0,0|2,0,1]=4 1073 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [0,1,0,0,0,0|2,0,1]=4 1074 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [0,1,0,0,0,0|1,1,1]=4 1075 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [0,1,0,0,0,0|1,1,1]=4 1076 B8R0.4 [13CH3]NCCCCN=[N+]=[N-] 2230a_100000101370_200025704644 [0,1,0,0,0,0|2,0,0]=3 1077 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [0,1,0,0,0,0|2,0,1]=4 1078 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [0,1,0,0,0,0|2,0,1]=4 1079 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [0,1,0,0,0,0|2,0,1]=4 1080 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [0,1,0,0,0,0|2,0,1]=4 1081 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [0,1,0,0,0,0|2,0,1]=4 1082 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [0,1,0,0,0,0|2,0,1]=4 1083 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [0,1,0,0,0,0|2,0,1]=4 1084 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [0,1,0,0,0,0|2,0,1]=4 1085 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [0,1,0,0,0,0|2,0,1]=4 1086 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [0,1,0,0,0,0|1,1,1]=4 1087 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [0,1,0,0,0,0|1,1,1]=4 1088 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [0,1,0,0,0,0|2,0,1]=4 1089 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [0,1,0,0,0,0|2,0,1]=4 1090 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [0,1,0,0,0,0|1,1,1]=4 1091 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [0,1,0,0,0,0|1,1,1]=4 1092 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,1,0,0,0,0|2,0,1]=4 1093 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,1,0,0,0,0|2,0,1]=4 1094 B8R0.6 CC=NNCC(O)CC 4a_100015206393_200000210099 [0,1,0,0,0,0|2,0,1]=4 1095 B8R0.6 CCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210202 [0,1,0,0,0,0|2,0,1]=4 1096 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [0,1,0,0,0,0|3,0,0]=4 1097 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [0,1,0,0,0,0|3,0,0]=4 1098 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [0,1,0,0,0,0|2,0,1]=4 1099 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,1,0,0,0,0|2,0,1]=4 1100 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,1,0,0,0,0|2,0,1]=4 1101 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,1,0,0,0,0|2,0,1]=4 1102 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,1,0,0,0,0|1,1,1]=4 1103 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,1,0,0,0,0|3,0,0]=4 1104 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,1,0,0,0,0|3,0,0]=4 1105 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,1,0,0,0,0|3,0,0]=4 1106 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,1,0,0,0,0|3,0,0]=4 1107 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [0,1,0,0,0,0|3,0,0]=4 1108 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [0,1,0,0,0,0|3,0,0]=4 1109 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [0,1,0,0,0,0|3,0,0]=4 1110 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [0,1,0,0,0,0|3,0,0]=4 1111 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [0,1,0,0,0,0|3,0,0]=4 1112 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [0,1,0,0,0,0|3,0,0]=4 1113 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,1,0,0,0,0|3,0,0]=4 1114 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,1,0,0,0,0|3,0,0]=4 1115 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,1,0,0,0,0|3,0,0]=4 1116 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,1,0,0,0,0|3,0,0]=4 1117 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,1,0,0,0,0|3,0,0]=4 1118 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,1,0,0,0,0|3,0,0]=4 1119 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,1,0,0,0,0|3,0,0]=4 1120 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,1,0,0,0,0|3,0,0]=4 1121 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,1,0,0,0,0|3,0,0]=4 1122 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [0,1,0,0,0,0|1,0,2]=4 1123 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [0,1,0,0,0,0|1,0,2]=4 1124 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [0,1,0,0,0,0|1,0,2]=4 1125 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [0,1,0,0,0,0|1,0,2]=4 1126 B8R0.6 CCCCCN(C)CF 269982a_100000223495_100015361967 [0,1,0,0,0,0|1,0,2]=4 1127 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [0,1,0,0,0,0|1,0,2]=4 1128 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [0,1,0,0,0,0|2,0,1]=4 1129 B8R0.7 CC(=O)CCCN=[N+]=[N-] 1458a_100010262590_200000210301 [0,1,0,0,0,0|2,0,1]=4 1130 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [0,1,0,0,0,0|2,0,1]=4 1131 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [0,1,0,0,0,0|2,0,1]=4 1132 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [0,1,0,0,0,0|3,0,0]=4 1133 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [0,1,0,0,0,0|3,0,0]=4 1134 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [0,1,0,0,0,0|3,0,0]=4 1135 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [0,1,0,0,0,0|3,0,0]=4 1136 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [0,1,0,0,0,0|1,0,2]=4 1137 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [0,1,0,0,0,0|2,0,1]=4 1138 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [0,1,0,0,0,0|2,0,1]=4 1139 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [0,1,0,0,0,0|2,0,1]=4 1140 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [0,1,0,0,0,0|2,0,1]=4 1141 B8R0.7 CC(O)CCCSCF 62a_100015361967_200000718107 [0,1,0,0,0,0|2,0,1]=4 1142 B8R0.7 CC(O)CCCSCF 62a_200000718107_100015361967 [0,1,0,0,0,0|2,0,1]=4 1143 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,1,0,0,0,0|1,1,1]=4 1144 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,1,0,0,0,0|1,1,1]=4 1145 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,1,0,0,0,0|1,1,1]=4 1146 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [0,1,0,0,0,0|3,0,0]=4 1147 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [0,1,0,0,0,0|3,0,0]=4 1148 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [0,1,0,0,0,0|3,0,0]=4 1149 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [0,1,0,0,0,0|3,0,0]=4 1150 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [0,1,0,0,0,0|3,0,0]=4 1151 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [0,1,0,0,0,0|3,0,0]=4 1152 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,1,0,0,0,0|0,1,2]=4 1153 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,1,0,0,0,0|0,1,2]=4 1154 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,1,0,0,0,0|0,1,2]=4 1155 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,1,0,0,0,0|0,1,2]=4 1156 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [0,1,0,0,0,0|1,0,2]=4 1157 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [0,1,0,0,0,0|1,0,2]=4 1158 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [0,1,0,0,0,0|1,0,2]=4 1159 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [0,1,0,0,0,0|2,0,1]=4 1160 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [0,1,0,0,0,0|2,0,1]=4 1161 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [0,1,0,0,0,0|2,0,1]=4 1162 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [0,1,0,0,0,0|2,0,1]=4 1163 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [0,1,0,0,0,0|2,0,1]=4 1164 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [0,1,0,0,0,0|1,0,2]=4 1165 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [0,1,0,0,0,0|1,0,2]=4 1166 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [0,1,0,0,0,0|1,0,2]=4 1167 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [0,1,0,0,0,0|1,0,2]=4 1168 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [0,1,0,0,0,0|2,0,1]=4 1169 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [0,1,0,0,0,0|2,0,1]=4 1170 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [0,1,0,0,0,0|2,0,1]=4 1171 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [0,1,0,0,0,0|2,0,1]=4 1172 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [0,1,0,0,0,0|2,0,1]=4 1173 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [0,1,0,0,0,0|2,0,1]=4 1174 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [0,1,0,0,0,0|2,0,1]=4 1175 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [0,1,0,0,0,0|2,0,1]=4 1176 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [0,1,0,0,0,0|3,0,0]=4 1177 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [0,1,0,0,0,0|3,0,0]=4 1178 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [0,1,0,0,0,0|3,0,0]=4 1179 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [0,1,0,0,0,0|2,0,1]=4 1180 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [0,1,0,0,0,0|2,0,1]=4 1181 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [0,1,0,0,0,0|2,0,1]=4 1182 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [0,1,0,0,0,0|3,0,0]=4 1183 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [0,1,0,0,0,0|3,0,0]=4 1184 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [0,1,0,0,0,0|3,0,0]=4 1185 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [0,1,0,0,0,0|2,0,1]=4 1186 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [0,1,0,0,0,0|3,0,0]=4 1187 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [0,1,0,0,0,0|3,0,0]=4 1188 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [0,1,0,0,0,0|2,0,1]=4 1189 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [0,1,0,0,0,0|2,0,1]=4 1190 B8R0.7 [13CH3]C(=O)CCCN=[N+]=[N-] 1458a_100010262590_200025704644 [0,1,0,0,0,0|2,0,1]=4 1191 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [0,0,0,1,0,0|3,0,0]=4 1192 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [0,0,0,1,0,0|3,0,0]=4 1193 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [0,0,0,1,0,0|3,0,0]=4 1194 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [0,0,0,1,0,0|3,0,0]=4 1195 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [0,0,0,1,0,0|3,0,0]=4 1196 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [0,0,0,1,0,0|3,0,0]=4 1197 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [0,0,0,1,0,0|3,0,0]=4 1198 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [0,0,0,1,0,0|3,0,0]=4 1199 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [0,0,0,1,0,0|3,0,0]=4 1200 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [0,0,0,1,0,0|3,0,0]=4 1201 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [0,0,0,1,0,0|3,0,0]=4 1202 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [0,0,0,1,0,0|3,0,0]=4 1203 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [0,0,0,1,0,0|3,0,0]=4 1204 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [0,0,0,1,0,0|3,0,0]=4 1205 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [0,0,0,1,0,0|3,0,0]=4 1206 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [0,0,0,1,0,0|3,0,0]=4 1207 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [0,0,0,1,0,0|3,0,0]=4 1208 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [0,0,0,1,0,0|3,0,0]=4 1209 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [0,0,0,1,0,0|3,0,0]=4 1210 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [0,0,0,1,0,0|3,0,0]=4 1211 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [0,0,0,1,0,0|3,0,0]=4 1212 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [0,0,0,1,0,0|3,0,0]=4 1213 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [0,0,0,1,0,0|1,0,2]=4 1214 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [0,0,0,1,0,0|1,0,2]=4 1215 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [0,0,0,1,0,0|1,0,2]=4 1216 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [0,0,0,1,0,0|1,0,2]=4 1217 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [0,0,0,1,0,0|2,0,1]=4 1218 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [0,0,0,1,0,0|2,0,1]=4 1219 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [0,0,0,1,0,0|2,0,1]=4 1220 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [0,0,0,1,0,0|2,0,1]=4 1221 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [0,0,0,1,0,0|2,0,1]=4 1222 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [0,0,0,1,0,0|3,0,0]=4 1223 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [0,0,0,1,0,0|3,0,0]=4 1224 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [0,0,0,1,0,0|3,0,0]=4 1225 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [0,0,0,1,0,0|3,0,0]=4 1226 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [0,0,0,1,0,0|3,0,0]=4 1227 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [0,0,0,1,0,0|3,0,0]=4 1228 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [0,0,0,1,0,0|3,0,0]=4 1229 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [0,0,0,1,0,0|3,0,0]=4 1230 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [0,0,0,1,0,0|3,0,0]=4 1231 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [0,0,0,1,0,0|3,0,0]=4 1232 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [0,0,0,1,0,0|3,0,0]=4 1233 B8R1.8 FCNC1CCCC1 34a_100000211070_100015361967 [0,0,0,1,0,0|1,0,2]=4 1234 B8R1.8 FCOC1CCCC1 34a_100000210269_100015361967 [0,0,0,1,0,0|2,0,1]=4 1235 B8R1.8 FCOC1CCCC1 7a_100000210269_100015361967 [0,0,0,1,0,0|2,0,1]=4 1236 B8R1.8 FCSC1CCCC1 62a_100011217020_100015361967 [0,0,0,1,0,0|2,0,1]=4 1237 B8R1.8 FCSC1CCCC1 62a_100015361967_100000179811 [0,0,0,1,0,0|2,0,1]=4 1238 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [0,0,0,1,0,0|3,0,0]=4 1239 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [0,0,0,1,0,0|3,0,0]=4 1240 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [0,0,0,1,0,0|3,0,0]=4 1241 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [0,0,0,1,0,0|3,0,0]=4 1242 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [0,0,0,1,0,0|3,0,0]=4 1243 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [0,0,0,1,0,0|3,0,0]=4 1244 B8R1.9 CC1CC1COCF 34a_100000744939_100015361967 [0,0,0,1,0,0|2,0,1]=4 1245 B8R1.9 CC1CC1COCF 7a_100000744939_100015361967 [0,0,0,1,0,0|2,0,1]=4 1246 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [0,0,0,1,0,0|2,0,1]=4 1247 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [0,0,0,1,0,0|2,0,1]=4 1248 B8R1.10 CC=NNC1CCC1 4a_100000736358_200000210099 [0,0,0,1,0,0|2,0,1]=4 1249 B8R1.10 CCNCC1CCC1 2230a_100000738700_100000210202 [0,0,0,1,0,0|1,0,2]=4 1250 B8R1.10 CCNCC1CCC1 2230a_100015525214_100000763275 [0,0,0,1,0,0|1,0,2]=4 1251 B8R1.10 CCNCC1CCC1 269862a_100015525214_100000753134 [0,0,0,1,0,0|1,0,2]=4 1252 B8R1.10 CCNCC1CCC1 34a_100000738700_100000210202 [0,0,0,1,0,0|1,0,2]=4 1253 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [0,0,0,1,0,0|2,0,1]=4 1254 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [0,0,0,1,0,0|2,0,1]=4 1255 B8R1.10 CCSCC1CCC1 62a_100000210202_100000763275 [0,0,0,1,0,0|2,0,1]=4 1256 B8R1.10 CCSCC1CCC1 62a_100000763275_100000210202 [0,0,0,1,0,0|2,0,1]=4 1257 B8R1.10 FCNCC1CCC1 34a_100000738700_100015361967 [0,0,0,1,0,0|1,0,2]=4 1258 B8R1.10 FCOCC1CCC1 34a_100000760304_100015361967 [0,0,0,1,0,0|2,0,1]=4 1259 B8R1.10 FCSCC1CCC1 62a_100000763275_100015361967 [0,0,0,1,0,0|2,0,1]=4 1260 B8R1.10 FCSCC1CCC1 62a_100015361967_100000763275 [0,0,0,1,0,0|2,0,1]=4 1261 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [0,0,0,1,0,0|3,0,0]=4 1262 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [0,0,0,1,0,0|3,0,0]=4 1263 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [0,0,0,1,0,0|3,0,0]=4 1264 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [0,0,0,1,0,0|3,0,0]=4 1265 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [0,0,0,1,0,0|3,0,0]=4 1266 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [0,0,0,1,0,0|3,0,0]=4 1267 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [0,0,0,1,0,0|3,0,0]=4 1268 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [0,0,0,1,0,0|3,0,0]=4 1269 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [0,0,0,1,0,0|1,0,2]=4 1270 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [0,0,0,1,0,0|1,0,2]=4 1271 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [0,0,0,1,0,0|1,0,2]=4 1272 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [0,0,0,1,0,0|1,0,2]=4 1273 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [0,0,0,1,0,0|1,0,2]=4 1274 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [0,0,0,1,0,0|3,0,0]=4 1275 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [0,0,0,1,0,0|3,0,0]=4 1276 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [0,0,0,1,0,0|3,0,0]=4 1277 B8R1.11 C[C@@H]1CCCN1CF 269982a_100015189458_100015361967 [0,0,0,1,0,0|1,0,2]=4 1278 B8R1.11 C[C@@H]1CCCN1CF 34a_100015189458_100015361967 [0,0,0,1,0,0|1,0,2]=4 1279 B8R1.11 C[C@H]1CCCN1CF 269982a_100020605311_100015361967 [0,0,0,1,0,0|1,0,2]=4 1280 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [0,0,0,1,0,0|3,0,0]=4 1281 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [0,0,0,1,0,0|3,0,0]=4 1282 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [0,0,0,1,0,0|3,0,0]=4 1283 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [0,0,0,1,0,0|3,0,0]=4 1284 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [0,0,0,1,0,0|3,0,0]=4 1285 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [0,0,0,1,0,0|3,0,0]=4 1286 B8R1.36 CC=NNCC1CC1 4a_100000736359_200000210099 [0,0,0,1,0,0|2,0,1]=4 1287 B8R1.36 CCNCCC1CC1 2230a_100015525214_100000694398 [0,0,0,1,0,0|1,0,2]=4 1288 B8R1.36 CCNCCC1CC1 34a_100000764129_100000210202 [0,0,0,1,0,0|1,0,2]=4 1289 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [0,0,0,1,0,0|2,0,1]=4 1290 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [0,0,0,1,0,0|2,0,1]=4 1291 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [0,0,0,1,0,0|2,0,1]=4 1292 B8R1.36 CCSCCC1CC1 62a_100000210202_100000764125 [0,0,0,1,0,0|2,0,1]=4 1293 B8R1.36 CCSCCC1CC1 62a_100000764125_100000210202 [0,0,0,1,0,0|2,0,1]=4 1294 B8R1.36 FCNCCC1CC1 34a_100000764129_100015361967 [0,0,0,1,0,0|1,0,2]=4 1295 B8R1.36 FCOCCC1CC1 34a_100000754188_100015361967 [0,0,0,1,0,0|2,0,1]=4 1296 B8R1.36 FCOCCC1CC1 7a_100000754188_100015361967 [0,0,0,1,0,0|2,0,1]=4 1297 B8R1.36 FCSCCC1CC1 62a_100000764125_100015361967 [0,0,0,1,0,0|2,0,1]=4 1298 B8R1.36 FCSCCC1CC1 62a_100015361967_100000764125 [0,0,0,1,0,0|2,0,1]=4 1299 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|0,0,2]=4 1300 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|0,0,2]=4 1301 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|0,0,2]=4 1302 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|0,0,2]=4 1303 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|0,0,2]=4 1304 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|0,0,2]=4 1305 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|0,0,2]=4 1306 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|1,0,1]=4 1307 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|1,0,1]=4 1308 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|1,0,1]=4 1309 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|1,0,1]=4 1310 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|1,0,1]=4 1311 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|1,0,1]=4 1312 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|1,0,1]=4 1313 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|1,0,1]=4 1314 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|1,0,1]=4 1315 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [2,0,0,0,0,0|1,0,1]=4 1316 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|1,0,1]=4 1317 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|1,0,1]=4 1318 B5R0.2 CCCOCF 34a_100000210258_100015361967 [2,0,0,0,0,0|2,0,0]=4 1319 B5R0.2 CCCSCC 62a_100000210202_100000210303 [2,0,0,0,0,0|1,0,1]=4 1320 B5R0.2 CCCSCC 62a_100000210303_100000210202 [2,0,0,0,0,0|1,0,1]=4 1321 B5R0.2 CCCSCF 62a_100000210303_100015361967 [2,0,0,0,0,0|2,0,0]=4 1322 B5R0.2 CCCSCF 62a_100015361967_100000210303 [2,0,0,0,0,0|2,0,0]=4 1323 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [2,0,0,0,0,0|2,0,0]=4 1324 B5R0.2 CCNCCF 34a_100000724931_100000210202 [2,0,0,0,0,0|2,0,0]=4 1325 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [2,0,0,0,0,0|1,1,0]=4 1326 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [2,0,0,0,0,0|1,1,0]=4 1327 B5R0.2 CCNCCO 34a_100016990907_100000210202 [2,0,0,0,0,0|1,1,0]=4 1328 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [2,0,0,0,0,0|2,0,0]=4 1329 B5R0.2 CCOCCF 34a_100121572206_100011217306 [2,0,0,0,0,0|2,0,0]=4 1330 B5R0.2 CCOCCN 34a_100000210304_100000210202 [2,0,0,0,0,0|1,0,1]=4 1331 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|1,1,0]=4 1332 B5R0.2 CCSCCF 62a_100000210202_100011217306 [2,0,0,0,0,0|2,0,0]=4 1333 B5R0.2 CCSCCF 62a_100011217306_100000210202 [2,0,0,0,0,0|2,0,0]=4 1334 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|1,1,0]=4 1335 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|1,1,0]=4 1336 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [2,0,0,0,0,0|2,0,0]=4 1337 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [2,0,0,0,0,0|2,0,0]=4 1338 B5R0.2 CNCCCF 34a_100015189416_200000210301 [2,0,0,0,0,0|2,0,0]=4 1339 B5R0.2 CNCCCF 34a_100102657272_100011934791 [2,0,0,0,0,0|2,0,0]=4 1340 B5R0.2 CNCCCF 7a_106832991635_100011934791 [2,0,0,0,0,0|2,0,0]=4 1341 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [2,0,0,0,0,0|1,1,0]=4 1342 B5R0.2 CNCCCO 34a_100102657272_100000230001 [2,0,0,0,0,0|1,1,0]=4 1343 B5R0.2 CNCCCO 7a_106832991635_100011215043 [2,0,0,0,0,0|1,1,0]=4 1344 B5R0.2 COCCCBr 34a_100011217188_200000210301 [2,0,0,0,0,0|2,0,0]=4 1345 B5R0.2 COCCCCl 34a_100000230001_200000210301 [2,0,0,0,0,0|2,0,0]=4 1346 B5R0.2 COCCCF 34a_100000759539_200000210301 [2,0,0,0,0,0|2,0,0]=4 1347 B5R0.2 COCCCF 34a_100138415774_100011934791 [2,0,0,0,0,0|2,0,0]=4 1348 B5R0.2 COCCCN 34a_100000182051_200000210301 [2,0,0,0,0,0|1,0,1]=4 1349 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|1,1,0]=4 1350 B5R0.2 CSCCCF 62a_100011934791_200000210301 [2,0,0,0,0,0|2,0,0]=4 1351 B5R0.2 CSCCCF 62a_200000210301_100011934791 [2,0,0,0,0,0|2,0,0]=4 1352 B5R0.2 CSCCCO 62a_100011215043_200000210301 [2,0,0,0,0,0|1,1,0]=4 1353 B5R0.2 CSCCCO 62a_200000210301_100011215043 [2,0,0,0,0,0|1,1,0]=4 1354 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [2,0,0,0,0,0|2,0,0]=4 1355 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [2,0,0,0,0,0|2,0,0]=4 1356 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [2,0,0,0,0,0|2,0,0]=4 1357 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [2,0,0,0,0,0|2,0,0]=4 1358 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [2,0,0,0,0,0|2,0,0]=4 1359 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [2,0,0,0,0,0|1,0,1]=4 1360 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [2,0,0,0,0,0|2,0,0]=4 1361 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [2,0,0,0,0,0|2,0,0]=4 1362 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [2,0,0,0,0,0|1,1,0]=4 1363 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [2,0,0,0,0,0|1,1,0]=4 1364 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [1,1,0,0,0,0|0,0,2]=4 1365 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [1,1,0,0,0,0|0,0,2]=4 1366 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [1,1,0,0,0,0|1,0,1]=4 1367 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [1,1,0,0,0,0|1,0,1]=4 1368 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,1,0,0,0,0|0,0,2]=4 1369 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,1,0,0,0,0|0,0,2]=4 1370 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,1,0,0,0,0|0,0,2]=4 1371 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,1,0,0,0,0|0,0,2]=4 1372 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,1,0,0,0,0|0,0,2]=4 1373 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,1,0,0,0,0|0,0,2]=4 1374 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,1,0,0,0,0|1,0,1]=4 1375 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,1,0,0,0,0|1,0,1]=4 1376 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,1,0,0,0,0|1,0,1]=4 1377 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,1,0,0,0,0|1,0,1]=4 1378 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,1,0,0,0,0|1,0,1]=4 1379 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,1,0,0,0,0|1,0,1]=4 1380 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,1,0,0,0,0|1,0,1]=4 1381 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,1,0,0,0,0|1,0,1]=4 1382 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,1,0,0,0,0|1,0,1]=4 1383 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [1,1,0,0,0,0|0,0,2]=4 1384 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [1,1,0,0,0,0|0,0,2]=4 1385 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,1,0,0,0,0|1,0,1]=4 1386 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,1,0,0,0,0|1,0,1]=4 1387 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,1,0,0,0,0|1,0,1]=4 1388 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,1,0,0,0,0|1,0,1]=4 1389 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,1,0,0,0,0|1,0,1]=4 1390 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,1,0,0,0,0|1,0,1]=4 1391 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,1,0,0,0,0|0,1,1]=4 1392 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,1,0,0,0,0|0,1,1]=4 1393 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,1,0,0,0,0|0,1,1]=4 1394 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,1,0,0,0,0|0,0,2]=4 1395 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,1,0,0,0,0|0,0,2]=4 1396 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,1,0,0,0,0|0,0,2]=4 1397 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,1,0,0,0,0|0,0,2]=4 1398 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,1,0,0,0,0|0,0,2]=4 1399 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,1,0,0,0,0|0,0,2]=4 1400 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [1,1,0,0,0,0|0,0,2]=4 1401 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [1,1,0,0,0,0|0,0,2]=4 1402 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [1,1,0,0,0,0|0,0,2]=4 1403 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [1,1,0,0,0,0|0,0,2]=4 1404 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [1,1,0,0,0,0|0,0,2]=4 1405 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,1,0,0,0,0|0,0,2]=4 1406 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,1,0,0,0,0|0,0,2]=4 1407 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,1,0,0,0,0|0,0,2]=4 1408 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,1,0,0,0,0|1,0,1]=4 1409 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,1,0,0,0,0|1,0,1]=4 1410 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,1,0,0,0,0|1,0,1]=4 1411 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,1,0,0,0,0|1,0,1]=4 1412 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,1,0,0,0,0|1,0,1]=4 1413 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,1,0,0,0,0|1,0,1]=4 1414 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,1,0,0,0,0|1,0,1]=4 1415 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,1,0,0,0,0|1,0,1]=4 1416 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [1,1,0,0,0,0|0,0,2]=4 1417 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [1,1,0,0,0,0|0,0,2]=4 1418 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [1,1,0,0,0,0|0,0,2]=4 1419 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [1,1,0,0,0,0|0,0,2]=4 1420 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [1,1,0,0,0,0|1,0,1]=4 1421 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [1,1,0,0,0,0|1,0,1]=4 1422 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [1,1,0,0,0,0|1,0,1]=4 1423 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [1,1,0,0,0,0|1,0,1]=4 1424 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [1,1,0,0,0,0|1,0,1]=4 1425 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [1,1,0,0,0,0|1,0,1]=4 1426 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [1,1,0,0,0,0|1,0,1]=4 1427 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [1,1,0,0,0,0|1,0,1]=4 1428 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [1,1,0,0,0,0|1,0,1]=4 1429 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [1,1,0,0,0,0|1,0,1]=4 1430 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [1,1,0,0,0,0|1,0,1]=4 1431 B9R0.5 CCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210303 [0,2,0,0,0,0|2,0,0]=4 1432 B9R0.2 CC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200000210301 [0,2,0,0,0,0|2,0,0]=4 1433 B9R0.2 CC(C)NCCCN=[N+]=[N-] 2230a_100000744732_100000210206 [0,2,0,0,0,0|2,0,0]=4 1434 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [0,2,0,0,0,0|1,0,1]=4 1435 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [0,2,0,0,0,0|1,0,1]=4 1436 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [0,2,0,0,0,0|1,0,1]=4 1437 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [0,2,0,0,0,0|1,0,1]=4 1438 B9R0.2 [13CH3]C(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200025704644 [0,2,0,0,0,0|2,0,0]=4 1439 B9R0.45 CC=C=CCCOCCC 34a_100011020354_100000210303 [0,2,0,0,0,0|2,0,0]=4 1440 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [0,2,0,0,0,0|1,0,1]=4 1441 B9R0.45 CCCCCC=NNCC 4a_100000756455_100000737632 [0,2,0,0,0,0|1,0,1]=4 1442 B9R0.45 CCCNCCCN=[N+]=[N-] 2230a_100000744732_100000210303 [0,2,0,0,0,0|2,0,0]=4 1443 B9R0.45 CCNCCCCN=[N+]=[N-] 2230a_100000101370_100000210202 [0,2,0,0,0,0|2,0,0]=4 1444 B9R0.45 CNCCOCCN=[N+]=[N-] 2230a_100102953956_200000210301 [0,2,0,0,0,0|2,0,0]=4 1445 B9R0.45 COCNCCCN=[N+]=[N-] 2230a_100000744732_100000766300 [0,2,0,0,0,0|2,0,0]=4 1446 B9R0.45 CSCNCCCN=[N+]=[N-] 2230a_100000744732_100011218213 [0,2,0,0,0,0|2,0,0]=4 1447 B9R0.45 [13CH3]NCCOCCN=[N+]=[N-] 2230a_100102953956_200025704644 [0,2,0,0,0,0|2,0,0]=4 1448 B9R0.45 [N-]=[N+]=NCCCNCCF 2230a_100000744732_100011217306 [0,2,0,0,0,0|2,0,0]=4 1449 B9R0.45 [N-]=[N+]=NCCCNCCO 2230a_100000744732_100000211926 [0,2,0,0,0,0|2,0,0]=4 1450 B9R0.46 CCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210202 [0,2,0,0,0,0|2,0,0]=4 1451 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [1,0,0,1,0,0|0,0,2]=4 1452 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [1,0,0,1,0,0|0,0,2]=4 1453 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [1,0,0,1,0,0|0,0,2]=4 1454 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [1,0,0,1,0,0|0,0,2]=4 1455 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [1,0,0,1,0,0|0,0,2]=4 1456 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [1,0,0,1,0,0|0,0,2]=4 1457 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [1,0,0,1,0,0|1,0,1]=4 1458 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [1,0,0,1,0,0|1,0,1]=4 1459 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [1,0,0,1,0,0|1,0,1]=4 1460 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [1,0,0,1,0,0|1,0,1]=4 1461 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [1,0,0,1,0,0|1,0,1]=4 1462 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [1,0,0,1,0,0|0,0,2]=4 1463 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [1,0,0,1,0,0|0,0,2]=4 1464 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [1,0,0,1,0,0|1,0,1]=4 1465 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [1,0,0,1,0,0|1,0,1]=4 1466 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [1,0,0,1,0,0|1,0,1]=4 1467 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [1,0,0,1,0,0|1,0,1]=4 1468 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [1,0,0,1,0,0|0,0,2]=4 1469 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [1,0,0,1,0,0|0,0,2]=4 1470 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [1,0,0,1,0,0|0,0,2]=4 1471 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [1,0,0,1,0,0|0,0,2]=4 1472 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [1,0,0,1,0,0|0,0,2]=4 1473 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [1,0,0,1,0,0|0,0,2]=4 1474 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [1,0,0,1,0,0|0,0,2]=4 1475 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [1,0,0,1,0,0|0,0,2]=4 1476 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [1,0,0,1,0,0|0,0,2]=4 1477 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [1,0,0,1,0,0|0,0,2]=4 1478 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [1,0,0,1,0,0|1,0,1]=4 1479 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [1,0,0,1,0,0|1,0,1]=4 1480 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [1,0,0,1,0,0|1,0,1]=4 1481 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [1,0,0,1,0,0|1,0,1]=4 1482 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [1,0,0,1,0,0|0,0,2]=4 1483 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [1,0,0,1,0,0|0,0,2]=4 1484 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [1,0,0,1,0,0|0,0,2]=4 1485 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [1,0,0,1,0,0|0,0,2]=4 1486 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [1,0,0,1,0,0|0,0,2]=4 1487 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [1,0,0,1,0,0|0,0,2]=4 1488 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [1,0,0,1,0,0|1,0,1]=4 1489 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [1,0,0,1,0,0|1,0,1]=4 1490 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [1,0,0,1,0,0|1,0,1]=4 1491 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [1,0,0,1,0,0|1,0,1]=4 1492 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [1,0,0,1,0,0|0,0,2]=4 1493 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [1,0,0,1,0,0|0,0,2]=4 1494 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [1,0,0,1,0,0|1,0,1]=4 1495 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [1,0,0,1,0,0|1,0,1]=4 1496 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [1,0,0,1,0,0|1,0,1]=4 1497 B7R1.7 CNCCC1CC1 2230a_106832991635_100000694398 [1,0,0,1,0,0|0,0,2]=4 1498 B7R1.7 CNCCC1CC1 34a_100000764129_200000210301 [1,0,0,1,0,0|0,0,2]=4 1499 B7R1.7 CNCCC1CC1 34a_100102657272_100000694398 [1,0,0,1,0,0|0,0,2]=4 1500 B7R1.7 CNCCC1CC1 7a_106832991635_100000764125 [1,0,0,1,0,0|0,0,2]=4 1501 B7R1.7 COCCC1CC1 34a_100000754188_200000210301 [1,0,0,1,0,0|1,0,1]=4 1502 B7R1.7 COCCC1CC1 34a_100138415774_100000694398 [1,0,0,1,0,0|1,0,1]=4 1503 B7R1.7 COCCC1CC1 7a_100000754188_200000210301 [1,0,0,1,0,0|1,0,1]=4 1504 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [1,0,0,1,0,0|1,0,1]=4 1505 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [1,0,0,1,0,0|1,0,1]=4 1506 B7R1.7 [13CH3]NCCC1CC1 34a_100000764129_200025704644 [1,0,0,1,0,0|0,0,2]=4 1507 B7R1.7 [13CH3]OCCC1CC1 34a_100000754188_200025704644 [1,0,0,1,0,0|1,0,1]=4 1508 B7R1.7 [13CH3]OCCC1CC1 7a_100000754188_200025704644 [1,0,0,1,0,0|1,0,1]=4 1509 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [1,0,0,1,0,0|1,0,1]=4 1510 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [1,0,0,1,0,0|1,0,1]=4 1511 B9R1.12 CC=NNC1CCCC1 4a_100000737850_200000210099 [0,1,0,1,0,0|1,0,1]=4 1512 B9R1.17 CC=NNCC1CCC1 4a_200020586977_200000210099 [0,1,0,1,0,0|1,0,1]=4