0 B9R0.45 C#CCCCCCNCC 2230a_100015525214_100012094781 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.45 C#CCCCCCSCC 62a_100000210202_100012094781 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.45 C#CCCCCCSCC 62a_100012094781_100000210202 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.45 C#CCCCCNCCC 2230a_100000706060_100000210303 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.45 C#CCCCCNCCC 34a_100000706060_100000210303 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.45 C#CCCCCOCCC 34a_100000210258_100010269958 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.45 C#CCCCCOCCC 34a_100000766709_100000210303 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.45 C#CCCCCOCCC 7a_100000766709_100000210303 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.45 C#CCCCCSCCC 62a_100000210303_100010269958 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.45 C#CCCCCSCCC 62a_100010269958_100000210303 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.45 C#CCCNC/C=C\CC 34a_100000755551_100103147603 [0,0,0,0,0,0|2,0,1]=3 14 B9R0.45 C#CCCOC/C=C\CC 34a_100011215631_100103147603 [0,0,0,0,0,0|2,0,1]=3 15 B9R0.45 C#CCCOC/C=C\CC 34a_100016268518_100000688953 [0,0,0,0,0,0|2,0,1]=3 16 B9R0.45 C#CCCSC/C=C\CC 62a_100000688953_100103147603 [0,0,0,0,0,0|2,0,1]=3 17 B9R0.45 C#CCCSC/C=C\CC 62a_100103147603_100000688953 [0,0,0,0,0,0|2,0,1]=3 18 B9R0.45 C#CCNCC/C=C\CC 34a_100000212058_100015370543 [0,0,0,0,0,0|2,0,1]=3 19 B9R0.45 C#CCOCC/C=C\CC 34a_100000210247_100015370543 [0,0,0,0,0,0|2,0,1]=3 20 B9R0.45 C#CCOCC/C=C\CC 34a_100016288707_100000184674 [0,0,0,0,0,0|2,0,1]=3 21 B9R0.45 C#CCOCC/C=C\CC 7a_100016288707_100000038162 [0,0,0,0,0,0|2,0,1]=3 22 B9R0.45 C#CCSCC/C=C\CC 62a_100000038162_100015370543 [0,0,0,0,0,0|2,0,1]=3 23 B9R0.45 C#CCSCCCCC=O 62a_100000038162_100000139335 [0,0,0,0,0,0|1,0,3]=4 24 B9R0.45 C/C=C/C=C/COCC=O 34a_100016283227_200009817547 [0,0,0,0,0,0|1,0,2]=3 25 B9R0.45 C/C=C/COC/C=C\CC 34a_100016268518_100102629194 [0,0,0,0,0,0|2,0,1]=3 26 B9R0.45 C/C=C/COC/C=C\CC 34a_100016270725_100103147603 [0,0,0,0,0,0|2,0,1]=3 27 B9R0.45 C/C=C/CSC/C=C\CC 62a_100102629194_100103147603 [0,0,0,0,0,0|2,0,1]=3 28 B9R0.45 C/C=C/CSC/C=C\CC 62a_100103147603_100102629194 [0,0,0,0,0,0|2,0,1]=3 29 B9R0.45 C/C=C/CSCCCC=O 62a_100102629194_200011292268 [0,0,0,0,0,0|1,0,2]=3 30 B9R0.45 C/C=C/CSCCCC=O 62a_200011292268_100102629194 [0,0,0,0,0,0|1,0,2]=3 31 B9R0.45 C=CCCC/C=C/COC 34a_200016268473_200000210301 [0,0,0,0,0,0|2,0,2]=4 32 B9R0.45 C=CCCC/C=C/COC 7a_200016268473_200000210301 [0,0,0,0,0,0|2,0,2]=4 33 B9R0.45 C=CCCC/C=C/CO[13CH3] 34a_200016268473_200025704644 [0,0,0,0,0,0|2,0,2]=4 34 B9R0.45 C=CCCC/C=C/CO[13CH3] 7a_200016268473_200025704644 [0,0,0,0,0,0|2,0,2]=4 35 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [0,0,0,0,0,0|2,0,2]=4 36 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [0,0,0,0,0,0|2,0,2]=4 37 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [0,0,0,0,0,0|2,0,2]=4 38 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [0,0,0,0,0,0|2,0,2]=4 39 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [0,0,0,0,0,0|2,0,2]=4 40 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [0,0,0,0,0,0|2,0,2]=4 41 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [0,0,0,0,0,0|2,0,2]=4 42 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [0,0,0,0,0,0|2,0,2]=4 43 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [0,0,0,0,0,0|2,0,2]=4 44 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [0,0,0,0,0,0|2,0,2]=4 45 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [0,0,0,0,0,0|2,0,2]=4 46 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [0,0,0,0,0,0|2,0,2]=4 47 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [0,0,0,0,0,0|2,0,1]=3 48 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [0,0,0,0,0,0|2,0,1]=3 49 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [0,0,0,0,0,0|2,0,1]=3 50 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [0,0,0,0,0,0|2,0,1]=3 51 B9R0.45 C=CCCCCCOCF 34a_100011216702_100015361967 [0,0,0,0,0,0|3,0,1]=4 52 B9R0.45 C=CCCCCCOCF 7a_100011216702_100015361967 [0,0,0,0,0,0|3,0,1]=4 53 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [0,0,0,0,0,0|2,0,1]=3 54 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [0,0,0,0,0,0|2,0,1]=3 55 B9R0.45 C=CCCCCCSCF 62a_100000700193_100015361967 [0,0,0,0,0,0|3,0,1]=4 56 B9R0.45 C=CCCCCCSCF 62a_100015361967_100000700193 [0,0,0,0,0,0|3,0,1]=4 57 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [0,0,0,0,0,0|2,0,1]=3 58 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [0,0,0,0,0,0|2,0,1]=3 59 B9R0.45 C=CCCCCNCCF 2230a_100000703577_100011217306 [0,0,0,0,0,0|3,0,1]=4 60 B9R0.45 C=CCCCCNCCF 34a_100000703577_100011217306 [0,0,0,0,0,0|3,0,1]=4 61 B9R0.45 C=CCCCCNCCF 34a_100000724931_100011215482 [0,0,0,0,0,0|3,0,1]=4 62 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [0,0,0,0,0,0|3,0,1]=4 63 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [0,0,0,0,0,0|3,0,1]=4 64 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [0,0,0,0,0,0|3,0,1]=4 65 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [0,0,0,0,0,0|3,0,1]=4 66 B9R0.45 C=CCCCCNCOC 2230a_100000703577_100000766300 [0,0,0,0,0,0|3,0,1]=4 67 B9R0.45 C=CCCCCNCSC 2230a_100000703577_100011218213 [0,0,0,0,0,0|3,0,1]=4 68 B9R0.45 C=CCCCCNCSC 34a_100000703577_100011218213 [0,0,0,0,0,0|3,0,1]=4 69 B9R0.45 C=CCCCCOCCBr 34a_100000211926_100011215482 [0,0,0,0,0,0|3,0,1]=4 70 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [0,0,0,0,0,0|2,0,1]=3 71 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [0,0,0,0,0,0|2,0,1]=3 72 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [0,0,0,0,0,0|2,0,1]=3 73 B9R0.45 C=CCCCCOCCF 34a_100000766645_100011217306 [0,0,0,0,0,0|3,0,1]=4 74 B9R0.45 C=CCCCCOCCF 7a_100000766645_100011217306 [0,0,0,0,0,0|3,0,1]=4 75 B9R0.45 C=CCCCCOCCN 34a_100000210304_100011215482 [0,0,0,0,0,0|3,0,1]=4 76 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [0,0,0,0,0,0|3,0,1]=4 77 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [0,0,0,0,0,0|3,0,1]=4 78 B9R0.45 C=CCCCCOCSC 34a_100000766645_100011218213 [0,0,0,0,0,0|3,0,1]=4 79 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [0,0,0,0,0,0|2,0,1]=3 80 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [0,0,0,0,0,0|2,0,1]=3 81 B9R0.45 C=CCCCCSCCF 62a_100011215482_100011217306 [0,0,0,0,0,0|3,0,1]=4 82 B9R0.45 C=CCCCCSCCF 62a_100011217306_100011215482 [0,0,0,0,0,0|3,0,1]=4 83 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [0,0,0,0,0,0|3,0,1]=4 84 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [0,0,0,0,0,0|3,0,1]=4 85 B9R0.45 C=CCCCCSCOC 62a_100000766300_100011215482 [0,0,0,0,0,0|3,0,1]=4 86 B9R0.45 C=CCCCCSCOC 62a_100011215482_100000766300 [0,0,0,0,0,0|3,0,1]=4 87 B9R0.45 C=CCCCCSCSC 62a_100011215482_100011218213 [0,0,0,0,0,0|3,0,1]=4 88 B9R0.45 C=CCCCCSCSC 62a_100011218213_100011215482 [0,0,0,0,0,0|3,0,1]=4 89 B9R0.45 C=CCCCNC/C=C/C 34a_100000700776_100102629194 [0,0,0,0,0,0|2,0,2]=4 90 B9R0.45 C=CCCCNCC=CC 2230a_100000700776_100000070051 [0,0,0,0,0,0|2,0,2]=4 91 B9R0.45 C=CCCCNCC=CC 34a_100000700776_100000070051 [0,0,0,0,0,0|2,0,2]=4 92 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [0,0,0,0,0,0|2,0,2]=4 93 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [0,0,0,0,0,0|2,0,2]=4 94 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [0,0,0,0,0,0|2,0,2]=4 95 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [0,0,0,0,0,0|2,0,2]=4 96 B9R0.45 C=CCCCOC/C=C/C 34a_100000758997_100102629194 [0,0,0,0,0,0|2,0,2]=4 97 B9R0.45 C=CCCCOC/C=C/C 34a_100016270725_100000757094 [0,0,0,0,0,0|2,0,2]=4 98 B9R0.45 C=CCCCOC/C=C/C 7a_100000758997_100102629194 [0,0,0,0,0,0|2,0,2]=4 99 B9R0.45 C=CCCCOCC=CC 34a_100000758997_100000070051 [0,0,0,0,0,0|2,0,2]=4 100 B9R0.45 C=CCCCOCC=CC 7a_100000758997_100000070051 [0,0,0,0,0,0|2,0,2]=4 101 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [0,0,0,0,0,0|2,0,2]=4 102 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [0,0,0,0,0,0|2,0,2]=4 103 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [0,0,0,0,0,0|2,0,2]=4 104 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [0,0,0,0,0,0|2,0,2]=4 105 B9R0.45 C=CCCCSC/C=C/C 62a_100011713584_100102629194 [0,0,0,0,0,0|2,0,2]=4 106 B9R0.45 C=CCCCSC/C=C/C 62a_100102629194_100000757094 [0,0,0,0,0,0|2,0,2]=4 107 B9R0.45 C=CCCCSCC=CC 62a_100000070051_100000757094 [0,0,0,0,0,0|2,0,2]=4 108 B9R0.45 C=CCCCSCC=CC 62a_100011713584_100000070051 [0,0,0,0,0,0|2,0,2]=4 109 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [0,0,0,0,0,0|2,0,2]=4 110 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [0,0,0,0,0,0|2,0,2]=4 111 B9R0.45 C=CCCCSCOCC 62a_100000739092_100000757094 [0,0,0,0,0,0|3,0,1]=4 112 B9R0.45 C=CCCCSCOCC 62a_100011713584_100000739092 [0,0,0,0,0,0|3,0,1]=4 113 B9R0.45 C=CCCNC/C=C\CC 2230a_100015191253_100103147603 [0,0,0,0,0,0|2,0,0]=2 114 B9R0.45 C=CCCNCC#CCC 2230a_100015191253_100009813939 [0,0,0,0,0,0|2,0,2]=4 115 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [0,0,0,0,0,0|2,0,2]=4 116 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [0,0,0,0,0,0|2,0,2]=4 117 B9R0.45 C=CCCNCCOCC 2230a_100015191253_100011215890 [0,0,0,0,0,0|3,0,1]=4 118 B9R0.45 C=CCCNCCOCC 2230a_102516460346_100000754431 [0,0,0,0,0,0|3,0,1]=4 119 B9R0.45 C=CCCNCCOCC 34a_102516460346_100000754431 [0,0,0,0,0,0|3,0,1]=4 120 B9R0.45 C=CCCNCCSCC 2230a_100000106463_100000754431 [0,0,0,0,0,0|3,0,1]=4 121 B9R0.45 C=CCCNCCSCC 2230a_100015191253_100000757381 [0,0,0,0,0,0|3,0,1]=4 122 B9R0.45 C=CCCOC/C=C\CC 34a_100011205117_100103147603 [0,0,0,0,0,0|2,0,0]=2 123 B9R0.45 C=CCCOC/C=C\CC 34a_100016268518_100000754431 [0,0,0,0,0,0|2,0,0]=2 124 B9R0.45 C=CCCOCC#CCC 34a_100000032950_100000754431 [0,0,0,0,0,0|2,0,2]=4 125 B9R0.45 C=CCCOCC#CCC 34a_100011205117_100009813939 [0,0,0,0,0,0|2,0,2]=4 126 B9R0.45 C=CCCOCC/C=C/C 34a_100016278192_100000754431 [0,0,0,0,0,0|2,0,2]=4 127 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [0,0,0,0,0,0|2,0,2]=4 128 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [0,0,0,0,0,0|2,0,2]=4 129 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [0,0,0,0,0,0|2,0,2]=4 130 B9R0.45 C=CCCOCCOCC 34a_100000210136_100000754431 [0,0,0,0,0,0|3,0,1]=4 131 B9R0.45 C=CCCOCCOCC 34a_100011205117_100000210147 [0,0,0,0,0,0|3,0,1]=4 132 B9R0.45 C=CCCOCCOCC 7a_100000210136_100000754431 [0,0,0,0,0,0|3,0,1]=4 133 B9R0.45 C=CCCOCCSCC 34a_100000212035_100000754431 [0,0,0,0,0,0|3,0,1]=4 134 B9R0.45 C=CCCOCCSCC 34a_100011205117_100000757381 [0,0,0,0,0,0|3,0,1]=4 135 B9R0.45 C=CCCOCCSCC 7a_100000212035_100000754431 [0,0,0,0,0,0|3,0,1]=4 136 B9R0.45 C=CCCSC/C=C\CC 62a_100000754431_100103147603 [0,0,0,0,0,0|2,0,0]=2 137 B9R0.45 C=CCCSC/C=C\CC 62a_100103147603_100000754431 [0,0,0,0,0,0|2,0,0]=2 138 B9R0.45 C=CCCSCC#CCC 62a_100000754431_100009813939 [0,0,0,0,0,0|2,0,2]=4 139 B9R0.45 C=CCCSCC#CCC 62a_100009813939_100000754431 [0,0,0,0,0,0|2,0,2]=4 140 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [0,0,0,0,0,0|2,0,2]=4 141 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [0,0,0,0,0,0|2,0,2]=4 142 B9R0.45 C=CCCSCCOCC 62a_100000210147_100000754431 [0,0,0,0,0,0|3,0,1]=4 143 B9R0.45 C=CCCSCCOCC 62a_100000754431_100011215890 [0,0,0,0,0,0|3,0,1]=4 144 B9R0.45 C=CCCSCCSCC 62a_100000754431_100000757381 [0,0,0,0,0,0|3,0,1]=4 145 B9R0.45 C=CCCSCCSCC 62a_100000757381_100000754431 [0,0,0,0,0,0|3,0,1]=4 146 B9R0.45 C=CCNCC/C=C\CC 2230a_100020586998_100015370543 [0,0,0,0,0,0|2,0,0]=2 147 B9R0.45 C=CCNCCCCC=O 2230a_100020586998_100000139335 [0,0,0,0,0,0|1,0,3]=4 148 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [0,0,0,0,0,0|2,0,2]=4 149 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [0,0,0,0,0,0|2,0,2]=4 150 B9R0.45 C=CCNCCCOCC 2230a_100000210961_100000210623 [0,0,0,0,0,0|3,0,1]=4 151 B9R0.45 C=CCNCCCOCC 2230a_100020586998_100012232248 [0,0,0,0,0,0|3,0,1]=4 152 B9R0.45 C=CCNCCCOCC 34a_100000210961_100015514636 [0,0,0,0,0,0|3,0,1]=4 153 B9R0.45 C=CCNCCOCCC 2230a_100020586998_100011215938 [0,0,0,0,0,0|3,0,1]=4 154 B9R0.45 C=CCNCCOCCC 2230a_100161115042_100000210623 [0,0,0,0,0,0|3,0,1]=4 155 B9R0.45 C=CCNCCOCCC 34a_100161115042_100015514636 [0,0,0,0,0,0|3,0,1]=4 156 B9R0.45 C=CCNCCSCCC 2230a_100020603323_100000210623 [0,0,0,0,0,0|3,0,1]=4 157 B9R0.45 C=CCOC/C=C/C=C/C 34a_100016283227_100015514636 [0,0,0,0,0,0|2,0,2]=4 158 B9R0.45 C=CCOC/C=C/CCC 34a_100016278788_100015514636 [0,0,0,0,0,0|2,0,2]=4 159 B9R0.45 C=CCOC/C=C/CCC 7a_100016278788_100015514636 [0,0,0,0,0,0|2,0,2]=4 160 B9R0.45 C=CCOCC/C=C\CC 34a_100016288707_100015514636 [0,0,0,0,0,0|2,0,0]=2 161 B9R0.45 C=CCOCC/C=C\CC 34a_200000210373_100015370543 [0,0,0,0,0,0|2,0,0]=2 162 B9R0.45 C=CCOCC/C=C\CC 7a_100016288707_100015514636 [0,0,0,0,0,0|2,0,0]=2 163 B9R0.45 C=CCOCCC#CCC 34a_100000036655_100015514636 [0,0,0,0,0,0|2,0,2]=4 164 B9R0.45 C=CCOCCC#CCC 7a_100000036655_100015514636 [0,0,0,0,0,0|2,0,2]=4 165 B9R0.45 C=CCOCCC=C=CC 34a_100011020354_100015514636 [0,0,0,0,0,0|2,0,2]=4 166 B9R0.45 C=CCOCCCC=CC 34a_100020645299_100015514636 [0,0,0,0,0,0|2,0,2]=4 167 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [0,0,0,0,0,0|2,0,2]=4 168 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [0,0,0,0,0,0|2,0,2]=4 169 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [0,0,0,0,0,0|2,0,2]=4 170 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [0,0,0,0,0,0|3,0,1]=4 171 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [0,0,0,0,0,0|3,0,1]=4 172 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [0,0,0,0,0,0|3,0,1]=4 173 B9R0.45 C=CCOCCCSCC 34a_100011216438_100015514636 [0,0,0,0,0,0|3,0,1]=4 174 B9R0.45 C=CCOCCCSCC 7a_100011216438_100015514636 [0,0,0,0,0,0|3,0,1]=4 175 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [0,0,0,0,0,0|3,0,1]=4 176 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [0,0,0,0,0,0|3,0,1]=4 177 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [0,0,0,0,0,0|3,0,1]=4 178 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [0,0,0,0,0,0|3,0,1]=4 179 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [0,0,0,0,0,0|3,0,1]=4 180 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [0,0,0,0,0,0|3,0,1]=4 181 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [0,0,0,0,0,0|3,0,1]=4 182 B9R0.45 C=CCSCC/C=C\CC 62a_100000210623_100015370543 [0,0,0,0,0,0|2,0,0]=2 183 B9R0.45 C=CCSCC/C=C\CC 62a_100015370543_100000210623 [0,0,0,0,0,0|2,0,0]=2 184 B9R0.45 C=CCSCCCCC=O 62a_100000139335_100000210623 [0,0,0,0,0,0|1,0,3]=4 185 B9R0.45 C=CCSCCCCC=O 62a_100000210623_100000139335 [0,0,0,0,0,0|1,0,3]=4 186 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [0,0,0,0,0,0|2,0,2]=4 187 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [0,0,0,0,0,0|2,0,2]=4 188 B9R0.45 C=CCSCCCOCC 62a_100000210623_100012232248 [0,0,0,0,0,0|3,0,1]=4 189 B9R0.45 C=CCSCCCOCC 62a_100012232248_100000210623 [0,0,0,0,0,0|3,0,1]=4 190 B9R0.45 C=CCSCCOCCC 62a_100000210623_100011215938 [0,0,0,0,0,0|3,0,1]=4 191 B9R0.45 C=CCSCCOCCC 62a_100011215938_100000210623 [0,0,0,0,0,0|3,0,1]=4 192 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [0,0,0,0,0,0|3,0,1]=4 193 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [0,0,0,0,0,0|3,0,1]=4 194 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [0,0,0,0,0,0|3,0,1]=4 195 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [0,0,0,0,0,0|3,0,1]=4 196 B9R0.45 CC#CCNC/C=C\CC 2230a_100000685387_100103147603 [0,0,0,0,0,0|2,0,2]=4 197 B9R0.45 CC#CCNC/C=C\CC 34a_100000685387_100103147603 [0,0,0,0,0,0|2,0,2]=4 198 B9R0.45 CC#CCNCCCC=O 2230a_100000685387_200011292268 [0,0,0,0,0,0|1,0,3]=4 199 B9R0.45 CC#CCOC/C=C\CC 34a_100000761923_100103147603 [0,0,0,0,0,0|2,0,2]=4 200 B9R0.45 CC#CCOC/C=C\CC 34a_100016268518_100000748600 [0,0,0,0,0,0|2,0,2]=4 201 B9R0.45 CC#CCSC/C=C\CC 62a_100000748600_100103147603 [0,0,0,0,0,0|2,0,2]=4 202 B9R0.45 CC#CCSC/C=C\CC 62a_100103147603_100000748600 [0,0,0,0,0,0|2,0,2]=4 203 B9R0.45 CC#CCSCCCC=O 62a_100000748600_200011292268 [0,0,0,0,0,0|1,0,3]=4 204 B9R0.45 CC#CCSCCCC=O 62a_200011292268_100000748600 [0,0,0,0,0,0|1,0,3]=4 205 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [0,0,0,0,0,0|2,0,1]=3 206 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [0,0,0,0,0,0|2,0,1]=3 207 B9R0.45 CC/C=C/CCCOCF 34a_100016287902_100015361967 [0,0,0,0,0,0|2,0,1]=3 208 B9R0.45 CC/C=C/CCCOCF 7a_100016287902_100015361967 [0,0,0,0,0,0|2,0,1]=3 209 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [0,0,0,0,0,0|2,0,0]=2 210 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [0,0,0,0,0,0|2,0,0]=2 211 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [0,0,0,0,0,0|2,0,0]=2 212 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [0,0,0,0,0,0|2,0,0]=2 213 B9R0.45 CC/C=C\CCNCCF 34a_100000724931_100015370543 [0,0,0,0,0,0|2,0,1]=3 214 B9R0.45 CC/C=C\CCNCCO 2230a_100016997473_100015370543 [0,0,0,0,0,0|1,0,2]=3 215 B9R0.45 CC/C=C\CCNCCO 34a_100016990907_100015370543 [0,0,0,0,0,0|1,0,2]=3 216 B9R0.45 CC/C=C\CCOCC#N 7a_100016288707_100011215382 [0,0,0,0,0,0|2,0,1]=3 217 B9R0.45 CC/C=C\CCOCC=O 34a_100016288707_200009817547 [0,0,0,0,0,0|1,0,0]=1 218 B9R0.45 CC/C=C\CCOCC=O 7a_100016288707_200015260668 [0,0,0,0,0,0|1,0,0]=1 219 B9R0.45 CC/C=C\CCOCCBr 34a_100000211926_100015370543 [0,0,0,0,0,0|2,0,1]=3 220 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [0,0,0,0,0,0|2,0,1]=3 221 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [0,0,0,0,0,0|2,0,1]=3 222 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [0,0,0,0,0,0|2,0,1]=3 223 B9R0.45 CC/C=C\CCOCCF 34a_100016288707_100011217306 [0,0,0,0,0,0|2,0,1]=3 224 B9R0.45 CC/C=C\CCOCCF 7a_100016288707_100011217306 [0,0,0,0,0,0|2,0,1]=3 225 B9R0.45 CC/C=C\CCOCCN 34a_100000210304_100015370543 [0,0,0,0,0,0|2,0,1]=3 226 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [0,0,0,0,0,0|1,0,2]=3 227 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [0,0,0,0,0,0|1,0,2]=3 228 B9R0.45 CC/C=C\CCOCSC 34a_100016288707_100011218213 [0,0,0,0,0,0|3,0,0]=3 229 B9R0.45 CC/C=C\CCSCC#N 62a_100011215382_100015370543 [0,0,0,0,0,0|2,0,1]=3 230 B9R0.45 CC/C=C\CCSCC#N 62a_100015370543_100011215382 [0,0,0,0,0,0|2,0,1]=3 231 B9R0.45 CC/C=C\CCSCC=O 62a_100015370543_200015260668 [0,0,0,0,0,0|1,0,0]=1 232 B9R0.45 CC/C=C\CCSCC=O 62a_200015260668_100015370543 [0,0,0,0,0,0|1,0,0]=1 233 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [0,0,0,0,0,0|2,0,1]=3 234 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [0,0,0,0,0,0|2,0,1]=3 235 B9R0.45 CC/C=C\CCSCCF 62a_100011217306_100015370543 [0,0,0,0,0,0|2,0,1]=3 236 B9R0.45 CC/C=C\CCSCCF 62a_100015370543_100011217306 [0,0,0,0,0,0|2,0,1]=3 237 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [0,0,0,0,0,0|1,0,2]=3 238 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [0,0,0,0,0,0|1,0,2]=3 239 B9R0.45 CC/C=C\CCSCOC 62a_100000766300_100015370543 [0,0,0,0,0,0|3,0,0]=3 240 B9R0.45 CC/C=C\CCSCOC 62a_100015370543_100000766300 [0,0,0,0,0,0|3,0,0]=3 241 B9R0.45 CC/C=C\CCSCSC 62a_100011218213_100015370543 [0,0,0,0,0,0|3,0,0]=3 242 B9R0.45 CC/C=C\CCSCSC 62a_100015370543_100011218213 [0,0,0,0,0,0|3,0,0]=3 243 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [0,0,0,0,0,0|2,0,1]=3 244 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [0,0,0,0,0,0|2,0,1]=3 245 B9R0.45 CC/C=C\CNCCCF 2230a_100015189416_100103147603 [0,0,0,0,0,0|2,0,1]=3 246 B9R0.45 CC/C=C\CNCCCF 34a_100015189416_100103147603 [0,0,0,0,0,0|2,0,1]=3 247 B9R0.45 CC/C=C\CNCCOC 2230a_100000209980_100103147603 [0,0,0,0,0,0|3,0,0]=3 248 B9R0.45 CC/C=C\CNCCSC 2230a_100020590264_100103147603 [0,0,0,0,0,0|3,0,0]=3 249 B9R0.45 CC/C=C\COCCCBr 34a_100011217188_100103147603 [0,0,0,0,0,0|2,0,1]=3 250 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [0,0,0,0,0,0|2,0,1]=3 251 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [0,0,0,0,0,0|2,0,1]=3 252 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [0,0,0,0,0,0|2,0,1]=3 253 B9R0.45 CC/C=C\COCCCCl 34a_100000230001_100103147603 [0,0,0,0,0,0|2,0,1]=3 254 B9R0.45 CC/C=C\COCCCF 34a_100000759539_100103147603 [0,0,0,0,0,0|2,0,1]=3 255 B9R0.45 CC/C=C\COCCCF 34a_100016268518_100011934791 [0,0,0,0,0,0|2,0,1]=3 256 B9R0.45 CC/C=C\COCCCN 34a_100000182051_100103147603 [0,0,0,0,0,0|2,0,1]=3 257 B9R0.45 CC/C=C\COCCCO 34a_100016268518_100000230001 [0,0,0,0,0,0|1,0,2]=3 258 B9R0.45 CC/C=C\COCCOC 34a_100000210237_100103147603 [0,0,0,0,0,0|3,0,0]=3 259 B9R0.45 CC/C=C\COCCOC 34a_100016268518_100011201679 [0,0,0,0,0,0|3,0,0]=3 260 B9R0.45 CC/C=C\COCCON 34a_100000700252_100103147603 [0,0,0,0,0,0|3,0,0]=3 261 B9R0.45 CC/C=C\COCCSC 34a_100000230434_100103147603 [0,0,0,0,0,0|3,0,0]=3 262 B9R0.45 CC/C=C\COCCSC 34a_100016268518_100000212216 [0,0,0,0,0,0|3,0,0]=3 263 B9R0.45 CC/C=C\COCCSC 7a_100000230434_100103147603 [0,0,0,0,0,0|3,0,0]=3 264 B9R0.45 CC/C=C\CSCCC#N 62a_100011215226_100103147603 [0,0,0,0,0,0|2,0,1]=3 265 B9R0.45 CC/C=C\CSCCC#N 62a_100103147603_100011215226 [0,0,0,0,0,0|2,0,1]=3 266 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [0,0,0,0,0,0|2,0,1]=3 267 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [0,0,0,0,0,0|2,0,1]=3 268 B9R0.45 CC/C=C\CSCCCF 62a_100011934791_100103147603 [0,0,0,0,0,0|2,0,1]=3 269 B9R0.45 CC/C=C\CSCCCF 62a_100103147603_100011934791 [0,0,0,0,0,0|2,0,1]=3 270 B9R0.45 CC/C=C\CSCCCO 62a_100011215043_100103147603 [0,0,0,0,0,0|1,0,2]=3 271 B9R0.45 CC/C=C\CSCCCO 62a_100103147603_100011215043 [0,0,0,0,0,0|1,0,2]=3 272 B9R0.45 CC/C=C\CSCCOC 62a_100000233755_100103147603 [0,0,0,0,0,0|3,0,0]=3 273 B9R0.45 CC/C=C\CSCCOC 62a_100103147603_100000233755 [0,0,0,0,0,0|3,0,0]=3 274 B9R0.45 CC/C=C\CSCCSC 62a_100000212216_100103147603 [0,0,0,0,0,0|3,0,0]=3 275 B9R0.45 CC/C=C\CSCCSC 62a_100103147603_100000751147 [0,0,0,0,0,0|3,0,0]=3 276 B9R0.45 CC/C=C\CSCOCC 62a_100000739092_100103147603 [0,0,0,0,0,0|3,0,1]=4 277 B9R0.45 CC/C=C\CSCOCC 62a_100103147603_100000739092 [0,0,0,0,0,0|3,0,1]=4 278 B9R0.45 CC/C=C\CSCSC#N 62a_100000211825_100103147603 [0,0,0,0,0,0|3,0,1]=4 279 B9R0.45 CC/C=C\CSCSC#N 62a_100103147603_100000211825 [0,0,0,0,0,0|3,0,1]=4 280 B9R0.45 CC=C=CCCOCC=O 34a_100011020354_200009817547 [0,0,0,0,0,0|1,0,2]=3 281 B9R0.45 CC=CCCCOCC=O 34a_100020645299_200009817547 [0,0,0,0,0,0|1,0,2]=3 282 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [0,0,0,0,0,0|2,0,2]=4 283 B9R0.45 CC=CCOC/C=C\CC 34a_100016268518_100000070051 [0,0,0,0,0,0|2,0,1]=3 284 B9R0.45 CC=CCSC/C=C\CC 62a_100000070051_100103147603 [0,0,0,0,0,0|2,0,1]=3 285 B9R0.45 CC=CCSC/C=C\CC 62a_100103147603_100000070051 [0,0,0,0,0,0|2,0,1]=3 286 B9R0.45 CC=CCSCCCC=O 62a_100000070051_200011292268 [0,0,0,0,0,0|1,0,2]=3 287 B9R0.45 CC=CCSCCCC=O 62a_200011292268_100000070051 [0,0,0,0,0,0|1,0,2]=3 288 B9R0.45 CCC#CCCOCC=O 34a_100000036655_200009817547 [0,0,0,0,0,0|1,0,2]=3 289 B9R0.45 CCC#CCCOCC=O 7a_100000036655_200015260668 [0,0,0,0,0,0|1,0,2]=3 290 B9R0.45 CCC/C=C/COCC=O 34a_100016278788_200009817547 [0,0,0,0,0,0|1,0,2]=3 291 B9R0.45 CCC/C=C/COCC=O 7a_100016278788_200015260668 [0,0,0,0,0,0|1,0,2]=3 292 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [0,0,0,0,0,0|3,0,1]=4 293 B9R0.45 CCCC#CCOCC=O 34a_100000034806_200009817547 [0,0,0,0,0,0|1,0,3]=4 294 B9R0.45 CCCC#CCOCC=O 7a_100000034806_200015260668 [0,0,0,0,0,0|1,0,3]=4 295 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [0,0,0,0,0,0|2,0,2]=4 296 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [0,0,0,0,0,0|2,0,2]=4 297 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [0,0,0,0,0,0|2,0,2]=4 298 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [0,0,0,0,0,0|2,0,2]=4 299 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [0,0,0,0,0,0|2,0,2]=4 300 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [0,0,0,0,0,0|2,0,2]=4 301 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [0,0,0,0,0,0|2,0,2]=4 302 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [0,0,0,0,0,0|2,0,2]=4 303 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [0,0,0,0,0,0|2,0,2]=4 304 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [0,0,0,0,0,0|2,0,2]=4 305 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [0,0,0,0,0,0|2,0,2]=4 306 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [0,0,0,0,0,0|2,0,2]=4 307 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [0,0,0,0,0,0|2,0,2]=4 308 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [0,0,0,0,0,0|2,0,2]=4 309 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [0,0,0,0,0,0|2,0,2]=4 310 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [0,0,0,0,0,0|2,0,2]=4 311 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [0,0,0,0,0,0|2,0,2]=4 312 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [0,0,0,0,0,0|2,0,2]=4 313 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [0,0,0,0,0,0|2,0,2]=4 314 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [0,0,0,0,0,0|2,0,2]=4 315 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [0,0,0,0,0,0|2,0,2]=4 316 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [0,0,0,0,0,0|2,0,2]=4 317 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [0,0,0,0,0,0|2,0,2]=4 318 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [0,0,0,0,0,0|1,0,2]=3 319 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [0,0,0,0,0,0|2,0,2]=4 320 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [0,0,0,0,0,0|1,0,2]=3 321 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [0,0,0,0,0,0|1,0,2]=3 322 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [0,0,0,0,0,0|2,0,2]=4 323 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [0,0,0,0,0,0|2,0,2]=4 324 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [0,0,0,0,0,0|2,0,2]=4 325 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [0,0,0,0,0,0|1,0,2]=3 326 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [0,0,0,0,0,0|1,0,2]=3 327 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [0,0,0,0,0,0|2,0,2]=4 328 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [0,0,0,0,0,0|2,0,2]=4 329 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [0,0,0,0,0,0|1,0,2]=3 330 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [0,0,0,0,0,0|1,0,2]=3 331 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [0,0,0,0,0,0|1,0,2]=3 332 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [0,0,0,0,0,0|2,0,2]=4 333 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [0,0,0,0,0,0|2,0,2]=4 334 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [0,0,0,0,0,0|1,0,2]=3 335 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [0,0,0,0,0,0|1,0,2]=3 336 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [0,0,0,0,0,0|1,0,3]=4 337 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [0,0,0,0,0,0|1,0,3]=4 338 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [0,0,0,0,0,0|2,0,2]=4 339 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [0,0,0,0,0,0|2,0,2]=4 340 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [0,0,0,0,0,0|2,0,2]=4 341 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [0,0,0,0,0,0|2,0,2]=4 342 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [0,0,0,0,0,0|2,0,2]=4 343 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [0,0,0,0,0,0|2,0,2]=4 344 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [0,0,0,0,0,0|2,0,2]=4 345 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [0,0,0,0,0,0|2,0,2]=4 346 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [0,0,0,0,0,0|1,0,3]=4 347 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [0,0,0,0,0,0|3,0,1]=4 348 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [0,0,0,0,0,0|3,0,1]=4 349 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [0,0,0,0,0,0|3,0,1]=4 350 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [0,0,0,0,0,0|3,0,1]=4 351 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [0,0,0,0,0,0|2,0,1]=3 352 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [0,0,0,0,0,0|2,0,1]=3 353 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [0,0,0,0,0,0|2,0,1]=3 354 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [0,0,0,0,0,0|2,0,1]=3 355 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [0,0,0,0,0,0|2,0,1]=3 356 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [0,0,0,0,0,0|2,0,1]=3 357 B9R0.45 CCCSCCCCC#N 62a_100000210303_100000211819 [0,0,0,0,0,0|2,0,2]=4 358 B9R0.45 CCCSCCCCC#N 62a_100011219923_100000210303 [0,0,0,0,0,0|2,0,2]=4 359 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [0,0,0,0,0,0|1,0,1]=2 360 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [0,0,0,0,0,0|1,0,1]=2 361 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [0,0,0,0,0,0|2,0,2]=4 362 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [0,0,0,0,0,0|2,0,2]=4 363 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [0,0,0,0,0,0|1,0,3]=4 364 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [0,0,0,0,0,0|1,0,3]=4 365 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [0,0,0,0,0,0|3,0,1]=4 366 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [0,0,0,0,0,0|3,0,1]=4 367 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [0,0,0,0,0,0|2,0,1]=3 368 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [0,0,0,0,0,0|2,0,1]=3 369 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [0,0,0,0,0,0|2,0,1]=3 370 B9R0.45 CCNCCCCCC#N 2230a_100015525214_100009813376 [0,0,0,0,0,0|2,0,2]=4 371 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [0,0,0,0,0,0|1,0,1]=2 372 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [0,0,0,0,0,0|2,0,2]=4 373 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [0,0,0,0,0,0|1,0,3]=4 374 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [0,0,0,0,0,0|1,0,3]=4 375 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [0,0,0,0,0,0|1,0,3]=4 376 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [0,0,0,0,0,0|3,0,1]=4 377 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [0,0,0,0,0,0|3,0,1]=4 378 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [0,0,0,0,0,0|2,0,2]=4 379 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [0,0,0,0,0,0|2,0,2]=4 380 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [0,0,0,0,0,0|2,0,2]=4 381 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [0,0,0,0,0,0|2,0,2]=4 382 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [0,0,0,0,0,0|2,0,2]=4 383 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [0,0,0,0,0,0|2,0,2]=4 384 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [0,0,0,0,0,0|2,0,2]=4 385 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [0,0,0,0,0,0|2,0,2]=4 386 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [0,0,0,0,0,0|1,0,3]=4 387 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [0,0,0,0,0,0|3,0,1]=4 388 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [0,0,0,0,0,0|2,0,1]=3 389 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [0,0,0,0,0,0|2,0,1]=3 390 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [0,0,0,0,0,0|2,0,1]=3 391 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [0,0,0,0,0,0|2,0,1]=3 392 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [0,0,0,0,0,0|2,0,1]=3 393 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [0,0,0,0,0,0|2,0,1]=3 394 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [0,0,0,0,0,0|2,0,1]=3 395 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [0,0,0,0,0,0|2,0,1]=3 396 B9R0.45 CCSCCCCCC#N 62a_100000210202_100009813376 [0,0,0,0,0,0|2,0,2]=4 397 B9R0.45 CCSCCCCCC#N 62a_100009813376_100000210202 [0,0,0,0,0,0|2,0,2]=4 398 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [0,0,0,0,0,0|1,0,1]=2 399 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [0,0,0,0,0,0|1,0,1]=2 400 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [0,0,0,0,0,0|2,0,2]=4 401 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [0,0,0,0,0,0|2,0,2]=4 402 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [0,0,0,0,0,0|1,0,3]=4 403 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [0,0,0,0,0,0|1,0,3]=4 404 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [0,0,0,0,0,0|2,0,1]=3 405 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [0,0,0,0,0,0|2,0,1]=3 406 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [0,0,0,0,0,0|2,0,2]=4 407 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [0,0,0,0,0,0|2,0,2]=4 408 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [0,0,0,0,0,0|2,0,2]=4 409 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [0,0,0,0,0,0|2,0,2]=4 410 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [0,0,0,0,0,0|2,0,2]=4 411 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [0,0,0,0,0,0|2,0,2]=4 412 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [0,0,0,0,0,0|2,0,1]=3 413 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [0,0,0,0,0,0|2,0,1]=3 414 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [0,0,0,0,0,0|2,0,2]=4 415 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [0,0,0,0,0,0|2,0,2]=4 416 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [0,0,0,0,0,0|2,0,2]=4 417 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [0,0,0,0,0,0|2,0,2]=4 418 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [0,0,0,0,0,0|2,0,2]=4 419 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [0,0,0,0,0,0|2,0,2]=4 420 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [0,0,0,0,0,0|2,0,1]=3 421 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [0,0,0,0,0,0|2,0,1]=3 422 B9R0.45 N#CCSCCCCC=O 62a_100000139335_100011215382 [0,0,0,0,0,0|2,0,2]=4 423 B9R0.45 N#CCSCCCCC=O 62a_100011215382_100000139335 [0,0,0,0,0,0|2,0,2]=4 424 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [0,0,0,0,0,0|2,0,2]=4 425 B9R0.45 NCCOCCOCC=O 34a_100000211614_200009817547 [0,0,0,0,0,0|3,0,1]=4 426 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [0,0,0,0,0,0|2,0,1]=3 427 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [0,0,0,0,0,0|2,0,1]=3 428 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [0,0,0,0,0,0|2,0,1]=3 429 B9R0.45 O=CCCCCSCC=O 62a_100000139335_200015260668 [0,0,0,0,0,0|2,0,2]=4 430 B9R0.45 O=CCCCCSCC=O 62a_200015260668_100000139335 [0,0,0,0,0,0|2,0,2]=4 431 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [0,0,0,0,0,0|2,0,1]=3 432 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [0,0,0,0,0,0|2,0,1]=3 433 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [0,0,0,0,0,0|2,0,1]=3 434 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [0,0,0,0,0,0|2,0,1]=3 435 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [0,0,0,0,0,0|2,0,2]=4 436 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [0,0,0,0,0,0|2,0,2]=4 437 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [0,0,0,0,0,0|2,0,2]=4 438 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [0,0,0,0,0,0|2,0,2]=4 439 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [0,0,0,0,0,0|2,0,2]=4 440 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [0,0,0,0,0,0|2,0,2]=4 441 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [0,0,0,0,0,0|2,0,2]=4 442 B9R0.45 O=CCNCCOCCO 2230a_100000211614_200015260668 [0,0,0,0,0,0|3,0,1]=4 443 B9R0.45 O=CCNCCOCCO 34a_100000211614_200009817547 [0,0,0,0,0,0|3,0,1]=4 444 B9R0.45 O=CCNCCSCCO 2230a_100011219999_200015260668 [0,0,0,0,0,0|3,0,1]=4 445 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [0,0,0,0,0,0|2,0,2]=4 446 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [0,0,0,0,0,0|2,0,2]=4 447 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [0,0,0,0,0,0|2,0,2]=4 448 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [0,0,0,0,0,0|2,0,2]=4 449 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [0,0,0,0,0,0|2,0,2]=4 450 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [0,0,0,0,0,0|2,0,2]=4 451 B9R0.45 O=CCOCCOCCBr 34a_100000692535_200009817547 [0,0,0,0,0,0|3,0,1]=4 452 B9R0.45 O=CCOCCOCCBr 7a_100000692535_200015260668 [0,0,0,0,0,0|3,0,1]=4 453 B9R0.45 O=CCOCCOCCCl 34a_100011215305_200009817547 [0,0,0,0,0,0|3,0,1]=4 454 B9R0.45 O=CCOCCOCCCl 7a_100011215305_200015260668 [0,0,0,0,0,0|3,0,1]=4 455 B9R0.45 O=CCOCCOCCF 34a_200015357709_200009817547 [0,0,0,0,0,0|3,0,1]=4 456 B9R0.45 O=CCOCCOCCF 7a_200015357709_200015260668 [0,0,0,0,0,0|3,0,1]=4 457 B9R0.45 O=CCOCCOCCI 34a_100012149058_200009817547 [0,0,0,0,0,0|3,0,1]=4 458 B9R0.45 O=CCOCCOCCI 7a_100012149058_200015260668 [0,0,0,0,0,0|3,0,1]=4 459 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [0,0,0,0,0,0|2,0,2]=4 460 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [0,0,0,0,0,0|2,0,2]=4 461 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [0,0,0,0,0,0|2,0,2]=4 462 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [0,0,0,0,0,0|2,0,2]=4 463 B9R0.45 O=CCSCCOCCO 62a_100011215305_200015260668 [0,0,0,0,0,0|3,0,1]=4 464 B9R0.45 O=CCSCCOCCO 62a_200015260668_100011215305 [0,0,0,0,0,0|3,0,1]=4 465 B8R0.4 C#CCCCCNCC 2230a_100000706060_100000210202 [1,0,0,0,0,0|2,0,1]=4 466 B8R0.4 C#CCCCCNCC 2230a_100015525214_100010269958 [1,0,0,0,0,0|2,0,1]=4 467 B8R0.4 C#CCCCCNCC 34a_100000706060_100000210202 [1,0,0,0,0,0|2,0,1]=4 468 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [1,0,0,0,0,0|2,0,1]=4 469 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [1,0,0,0,0,0|2,0,1]=4 470 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [1,0,0,0,0,0|2,0,1]=4 471 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [1,0,0,0,0,0|2,0,1]=4 472 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [1,0,0,0,0,0|2,0,1]=4 473 B8R0.4 C#CCCNC/C=C/C 34a_100000755551_100102629194 [1,0,0,0,0,0|2,0,1]=4 474 B8R0.4 C#CCCNCC=CC 34a_100000755551_100000070051 [1,0,0,0,0,0|2,0,1]=4 475 B8R0.4 C#CCCOC/C=C/C 34a_100011215631_100102629194 [1,0,0,0,0,0|2,0,1]=4 476 B8R0.4 C#CCCOC/C=C/C 34a_100016270725_100000688953 [1,0,0,0,0,0|2,0,1]=4 477 B8R0.4 C#CCCOCC=CC 34a_100011215631_100000070051 [1,0,0,0,0,0|2,0,1]=4 478 B8R0.4 C#CCCSC/C=C/C 62a_100000688953_100102629194 [1,0,0,0,0,0|2,0,1]=4 479 B8R0.4 C#CCCSC/C=C/C 62a_100102629194_100000688953 [1,0,0,0,0,0|2,0,1]=4 480 B8R0.4 C#CCCSCC=CC 62a_100000070051_100000688953 [1,0,0,0,0,0|2,0,1]=4 481 B8R0.4 C#CCCSCC=CC 62a_100000688953_100000070051 [1,0,0,0,0,0|2,0,1]=4 482 B8R0.4 C#CCNC/C=C\CC 34a_100000212058_100103147603 [1,0,0,0,0,0|1,0,2]=4 483 B8R0.4 C#CCOC/C=C\CC 34a_100000210247_100103147603 [1,0,0,0,0,0|1,0,2]=4 484 B8R0.4 C#CCOC/C=C\CC 34a_100016268518_100000184674 [1,0,0,0,0,0|1,0,2]=4 485 B8R0.4 C#CCOCC/C=C/C 34a_100016278192_100000184674 [1,0,0,0,0,0|2,0,1]=4 486 B8R0.4 C#CCSC/C=C\CC 62a_100000038162_100103147603 [1,0,0,0,0,0|1,0,2]=4 487 B8R0.4 C/C=C/CCOCC=O 34a_100016278192_200009817547 [1,0,0,0,0,0|1,0,0]=2 488 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,0,0,0,0,0|2,0,1]=4 489 B8R0.4 C/C=C/CCOCCF 34a_100016278192_100011217306 [1,0,0,0,0,0|2,0,1]=4 490 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [1,0,0,0,0,0|1,0,2]=4 491 B8R0.4 C/C=C/CCOCSC 34a_100016278192_100011218213 [1,0,0,0,0,0|3,0,0]=4 492 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,0,0,0,0,0|2,0,1]=4 493 B8R0.4 C/C=C/CNCCCF 34a_100015189416_100102629194 [1,0,0,0,0,0|2,0,1]=4 494 B8R0.4 C/C=C/COC/C=C/C 34a_100016270725_100102629194 [1,0,0,0,0,0|2,0,1]=4 495 B8R0.4 C/C=C/COCCCBr 34a_100011217188_100102629194 [1,0,0,0,0,0|2,0,1]=4 496 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,0,0,0,0,0|2,0,1]=4 497 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,0,0,0,0,0|2,0,1]=4 498 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,0,0,0,0,0|2,0,1]=4 499 B8R0.4 C/C=C/COCCCCl 34a_100000230001_100102629194 [1,0,0,0,0,0|2,0,1]=4 500 B8R0.4 C/C=C/COCCCF 34a_100000759539_100102629194 [1,0,0,0,0,0|2,0,1]=4 501 B8R0.4 C/C=C/COCCCF 34a_100016270725_100011934791 [1,0,0,0,0,0|2,0,1]=4 502 B8R0.4 C/C=C/COCCCN 34a_100000182051_100102629194 [1,0,0,0,0,0|2,0,1]=4 503 B8R0.4 C/C=C/COCCCO 34a_100016270725_100000230001 [1,0,0,0,0,0|1,0,2]=4 504 B8R0.4 C/C=C/COCCOC 34a_100000210237_100102629194 [1,0,0,0,0,0|3,0,0]=4 505 B8R0.4 C/C=C/COCCOC 34a_100016270725_100011201679 [1,0,0,0,0,0|3,0,0]=4 506 B8R0.4 C/C=C/COCCON 34a_100000700252_100102629194 [1,0,0,0,0,0|3,0,0]=4 507 B8R0.4 C/C=C/COCCSC 34a_100000230434_100102629194 [1,0,0,0,0,0|3,0,0]=4 508 B8R0.4 C/C=C/COCCSC 34a_100016270725_100000212216 [1,0,0,0,0,0|3,0,0]=4 509 B8R0.4 C/C=C/COCCSC 7a_100000230434_100102629194 [1,0,0,0,0,0|3,0,0]=4 510 B8R0.4 C/C=C/CSC/C=C/C 62a_100102629194_100102629194 [1,0,0,0,0,0|2,0,1]=4 511 B8R0.4 C/C=C/CSCCC#N 62a_100011215226_100102629194 [1,0,0,0,0,0|2,0,1]=4 512 B8R0.4 C/C=C/CSCCC#N 62a_100102629194_100011215226 [1,0,0,0,0,0|2,0,1]=4 513 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,0,0,0,0,0|2,0,1]=4 514 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,0,0,0,0,0|2,0,1]=4 515 B8R0.4 C/C=C/CSCCCF 62a_100011934791_100102629194 [1,0,0,0,0,0|2,0,1]=4 516 B8R0.4 C/C=C/CSCCCF 62a_100102629194_100011934791 [1,0,0,0,0,0|2,0,1]=4 517 B8R0.4 C/C=C/CSCCCO 62a_100011215043_100102629194 [1,0,0,0,0,0|1,0,2]=4 518 B8R0.4 C/C=C/CSCCCO 62a_100102629194_100011215043 [1,0,0,0,0,0|1,0,2]=4 519 B8R0.4 C/C=C/CSCCOC 62a_100000233755_100102629194 [1,0,0,0,0,0|3,0,0]=4 520 B8R0.4 C/C=C/CSCCOC 62a_100102629194_100000233755 [1,0,0,0,0,0|3,0,0]=4 521 B8R0.4 C/C=C/CSCCSC 62a_100000212216_100102629194 [1,0,0,0,0,0|3,0,0]=4 522 B8R0.4 C/C=C/CSCCSC 62a_100102629194_100000751147 [1,0,0,0,0,0|3,0,0]=4 523 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [1,0,0,0,0,0|2,0,1]=4 524 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [1,0,0,0,0,0|2,0,1]=4 525 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [1,0,0,0,0,0|2,0,1]=4 526 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [1,0,0,0,0,0|2,0,1]=4 527 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [1,0,0,0,0,0|2,0,1]=4 528 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [1,0,0,0,0,0|2,0,1]=4 529 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [1,0,0,0,0,0|2,0,1]=4 530 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [1,0,0,0,0,0|2,0,1]=4 531 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [1,0,0,0,0,0|2,0,1]=4 532 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [1,0,0,0,0,0|2,0,1]=4 533 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [1,0,0,0,0,0|2,0,1]=4 534 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [1,0,0,0,0,0|2,0,1]=4 535 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,0,0,0,0,0|2,0,0]=3 536 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,0,0,0,0,0|2,0,0]=3 537 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,0,0,0,0,0|2,0,0]=3 538 B8R0.4 C=CCCCCNCF 34a_100000703577_100015361967 [1,0,0,0,0,0|3,0,0]=4 539 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,0,0,0,0,0|2,0,0]=3 540 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,0,0,0,0,0|2,0,0]=3 541 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,0,0,0,0,0|2,0,0]=3 542 B8R0.4 C=CCCCCOCF 34a_100000766645_100015361967 [1,0,0,0,0,0|3,0,0]=4 543 B8R0.4 C=CCCCCOCF 7a_100000766645_100015361967 [1,0,0,0,0,0|3,0,0]=4 544 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,0,0,0,0,0|2,0,0]=3 545 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,0,0,0,0,0|2,0,0]=3 546 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [1,0,0,0,0,0|3,0,0]=4 547 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [1,0,0,0,0,0|3,0,0]=4 548 B8R0.4 C=CCCCNCC=O 2230a_100000700776_200015260668 [1,0,0,0,0,0|1,0,2]=4 549 B8R0.4 C=CCCCNCC=O 34a_100000700776_200009817547 [1,0,0,0,0,0|1,0,2]=4 550 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [1,0,0,0,0,0|1,0,2]=4 551 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [1,0,0,0,0,0|1,0,2]=4 552 B8R0.4 C=CCCCOCC=O 34a_100000758997_200009817547 [1,0,0,0,0,0|1,0,2]=4 553 B8R0.4 C=CCCCOCC=O 7a_100000758997_200015260668 [1,0,0,0,0,0|1,0,2]=4 554 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,0,0,0,0,0|1,0,2]=4 555 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,0,0,0,0,0|1,0,2]=4 556 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,0,0,0,0,0|1,0,2]=4 557 B8R0.4 C=CCCCSCC=O 62a_100011713584_200015260668 [1,0,0,0,0,0|1,0,2]=4 558 B8R0.4 C=CCCCSCC=O 62a_200015260668_100000757094 [1,0,0,0,0,0|1,0,2]=4 559 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [1,0,0,0,0,0|1,0,2]=4 560 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [1,0,0,0,0,0|1,0,2]=4 561 B8R0.4 C=CCCNCC=CC 2230a_100015191253_100000070051 [1,0,0,0,0,0|2,0,0]=3 562 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [1,0,0,0,0,0|2,0,1]=4 563 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [1,0,0,0,0,0|2,0,1]=4 564 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [1,0,0,0,0,0|2,0,1]=4 565 B8R0.4 C=CCCOC/C=C/C 34a_100011205117_100102629194 [1,0,0,0,0,0|2,0,0]=3 566 B8R0.4 C=CCCOC/C=C/C 34a_100016270725_100000754431 [1,0,0,0,0,0|2,0,0]=3 567 B8R0.4 C=CCCOCC=CC 34a_100011205117_100000070051 [1,0,0,0,0,0|2,0,0]=3 568 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [1,0,0,0,0,0|2,0,1]=4 569 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [1,0,0,0,0,0|2,0,1]=4 570 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [1,0,0,0,0,0|2,0,1]=4 571 B8R0.4 C=CCCSC/C=C/C 62a_100000754431_100102629194 [1,0,0,0,0,0|2,0,0]=3 572 B8R0.4 C=CCCSC/C=C/C 62a_100102629194_100000754431 [1,0,0,0,0,0|2,0,0]=3 573 B8R0.4 C=CCCSCC=CC 62a_100000070051_100000754431 [1,0,0,0,0,0|2,0,0]=3 574 B8R0.4 C=CCCSCC=CC 62a_100000754431_100000070051 [1,0,0,0,0,0|2,0,0]=3 575 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [1,0,0,0,0,0|2,0,1]=4 576 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [1,0,0,0,0,0|2,0,1]=4 577 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [1,0,0,0,0,0|3,0,0]=4 578 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [1,0,0,0,0,0|3,0,0]=4 579 B8R0.4 C=CCNC/C=C\CC 2230a_100020586998_100103147603 [1,0,0,0,0,0|1,0,1]=3 580 B8R0.4 C=CCNCCCC=O 2230a_100020586998_200011292268 [1,0,0,0,0,0|1,0,2]=4 581 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,0,0,0,0,0|2,0,1]=4 582 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,0,0,0,0,0|2,0,1]=4 583 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [1,0,0,0,0,0|3,0,0]=4 584 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [1,0,0,0,0,0|3,0,0]=4 585 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [1,0,0,0,0,0|3,0,0]=4 586 B8R0.4 C=CCNCCSCC 2230a_100000106463_100000210623 [1,0,0,0,0,0|3,0,0]=4 587 B8R0.4 C=CCNCCSCC 2230a_100020586998_100000757381 [1,0,0,0,0,0|3,0,0]=4 588 B8R0.4 C=CCOC/C=C\CC 34a_100016268518_100015514636 [1,0,0,0,0,0|1,0,1]=3 589 B8R0.4 C=CCOC/C=C\CC 34a_200000210373_100103147603 [1,0,0,0,0,0|1,0,1]=3 590 B8R0.4 C=CCOCC/C=C/C 34a_100016278192_100015514636 [1,0,0,0,0,0|2,0,0]=3 591 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,0,0,0,0,0|2,0,1]=4 592 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,0,0,0,0,0|2,0,1]=4 593 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,0,0,0,0,0|2,0,1]=4 594 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [1,0,0,0,0,0|3,0,0]=4 595 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [1,0,0,0,0,0|3,0,0]=4 596 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [1,0,0,0,0,0|3,0,0]=4 597 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [1,0,0,0,0,0|3,0,0]=4 598 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [1,0,0,0,0,0|3,0,0]=4 599 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [1,0,0,0,0,0|3,0,0]=4 600 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [1,0,0,0,0,0|3,0,0]=4 601 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [1,0,0,0,0,0|3,0,0]=4 602 B8R0.4 C=CCSC/C=C\CC 62a_100000210623_100103147603 [1,0,0,0,0,0|1,0,1]=3 603 B8R0.4 C=CCSC/C=C\CC 62a_100103147603_100000210623 [1,0,0,0,0,0|1,0,1]=3 604 B8R0.4 C=CCSCCCC=O 62a_100000210623_200011292268 [1,0,0,0,0,0|1,0,2]=4 605 B8R0.4 C=CCSCCCC=O 62a_200011292268_100000210623 [1,0,0,0,0,0|1,0,2]=4 606 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,0,0,0,0,0|2,0,1]=4 607 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,0,0,0,0,0|2,0,1]=4 608 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [1,0,0,0,0,0|3,0,0]=4 609 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [1,0,0,0,0,0|3,0,0]=4 610 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [1,0,0,0,0,0|3,0,0]=4 611 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [1,0,0,0,0,0|3,0,0]=4 612 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [1,0,0,0,0,0|3,0,0]=4 613 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [1,0,0,0,0,0|3,0,0]=4 614 B8R0.4 C=COCCOCC=O 34a_100000033082_200009817547 [1,0,0,0,0,0|2,0,1]=4 615 B8R0.4 C=COCCSCC=O 62a_100000039644_200015260668 [1,0,0,0,0,0|2,0,1]=4 616 B8R0.4 C=COCCSCC=O 62a_200015260668_100000039644 [1,0,0,0,0,0|2,0,1]=4 617 B8R0.4 CC#CCCOCC=O 34a_100000750427_200009817547 [1,0,0,0,0,0|1,0,2]=4 618 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,0,0,0,0,0|1,0,1]=3 619 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,0,0,0,0,0|1,0,1]=3 620 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,0,0,0,0,0|1,0,1]=3 621 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,0,0,0,0,0|1,0,1]=3 622 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,0,0,0,0,0|1,0,1]=3 623 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,0,0,0,0,0|1,0,1]=3 624 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,0,0,0,0,0|1,0,1]=3 625 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,0,0,0,0,0|1,0,1]=3 626 B8R0.4 CC/C=C\CCOCF 34a_100016288707_100015361967 [1,0,0,0,0,0|2,0,0]=3 627 B8R0.4 CC/C=C\CCOCF 7a_100016288707_100015361967 [1,0,0,0,0,0|2,0,0]=3 628 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,0,0,0,0,0|1,0,1]=3 629 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,0,0,0,0,0|1,0,1]=3 630 B8R0.4 CC/C=C\CCSCF 62a_100015361967_100015370543 [1,0,0,0,0,0|2,0,0]=3 631 B8R0.4 CC/C=C\CCSCF 62a_100015370543_100015361967 [1,0,0,0,0,0|2,0,0]=3 632 B8R0.4 CC/C=C\CNCCF 34a_100000724931_100103147603 [1,0,0,0,0,0|2,0,0]=3 633 B8R0.4 CC/C=C\CNCCO 2230a_100016997473_100103147603 [1,0,0,0,0,0|1,0,1]=3 634 B8R0.4 CC/C=C\CNCCO 34a_100016990907_100103147603 [1,0,0,0,0,0|1,0,1]=3 635 B8R0.4 CC/C=C\COCC=O 34a_100016268518_200009817547 [1,0,0,0,0,0|1,0,0]=2 636 B8R0.4 CC/C=C\COCCBr 34a_100000211926_100103147603 [1,0,0,0,0,0|2,0,0]=3 637 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,0,0,0,0,0|1,0,1]=3 638 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,0,0,0,0,0|1,0,1]=3 639 B8R0.4 CC/C=C\COCCF 34a_100016268518_100011217306 [1,0,0,0,0,0|2,0,0]=3 640 B8R0.4 CC/C=C\COCCN 34a_100000210304_100103147603 [1,0,0,0,0,0|2,0,0]=3 641 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [1,0,0,0,0,0|1,0,1]=3 642 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [1,0,0,0,0,0|2,0,1]=4 643 B8R0.4 CC/C=C\CSCC#N 62a_100011215382_100103147603 [1,0,0,0,0,0|2,0,1]=4 644 B8R0.4 CC/C=C\CSCC#N 62a_100103147603_100011215382 [1,0,0,0,0,0|2,0,1]=4 645 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [1,0,0,0,0,0|1,0,0]=2 646 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [1,0,0,0,0,0|1,0,0]=2 647 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,0,0,0,0,0|1,0,1]=3 648 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,0,0,0,0,0|1,0,1]=3 649 B8R0.4 CC/C=C\CSCCF 62a_100011217306_100103147603 [1,0,0,0,0,0|2,0,0]=3 650 B8R0.4 CC/C=C\CSCCF 62a_100103147603_100011217306 [1,0,0,0,0,0|2,0,0]=3 651 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [1,0,0,0,0,0|1,0,1]=3 652 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [1,0,0,0,0,0|1,0,1]=3 653 B8R0.4 CC/C=C\CSCOC 62a_100000766300_100103147603 [1,0,0,0,0,0|2,0,1]=4 654 B8R0.4 CC/C=C\CSCOC 62a_100103147603_100000766300 [1,0,0,0,0,0|2,0,1]=4 655 B8R0.4 CC/C=C\CSCSC 62a_100011218213_100103147603 [1,0,0,0,0,0|2,0,1]=4 656 B8R0.4 CC/C=C\CSCSC 62a_100103147603_100011218213 [1,0,0,0,0,0|2,0,1]=4 657 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,0,0,0,0,0|2,0,1]=4 658 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [1,0,0,0,0,0|2,0,1]=4 659 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,0,0,0,0,0|2,0,1]=4 660 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,0,0,0,0,0|2,0,1]=4 661 B8R0.4 CC=CCNCCCF 2230a_100015189416_100000070051 [1,0,0,0,0,0|2,0,1]=4 662 B8R0.4 CC=CCNCCCF 34a_100015189416_100000070051 [1,0,0,0,0,0|2,0,1]=4 663 B8R0.4 CC=CCNCCOC 2230a_100000209980_100000070051 [1,0,0,0,0,0|3,0,0]=4 664 B8R0.4 CC=CCNCCSC 2230a_100020590264_100000070051 [1,0,0,0,0,0|3,0,0]=4 665 B8R0.4 CC=CCOC/C=C/C 34a_100016270725_100000070051 [1,0,0,0,0,0|2,0,1]=4 666 B8R0.4 CC=CCOCCCBr 34a_100011217188_100000070051 [1,0,0,0,0,0|2,0,1]=4 667 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,0,0,0,0,0|2,0,1]=4 668 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,0,0,0,0,0|2,0,1]=4 669 B8R0.4 CC=CCOCCCCl 34a_100000230001_100000070051 [1,0,0,0,0,0|2,0,1]=4 670 B8R0.4 CC=CCOCCCF 34a_100000759539_100000070051 [1,0,0,0,0,0|2,0,1]=4 671 B8R0.4 CC=CCOCCCN 34a_100000182051_100000070051 [1,0,0,0,0,0|2,0,1]=4 672 B8R0.4 CC=CCOCCOC 34a_100000210237_100000070051 [1,0,0,0,0,0|3,0,0]=4 673 B8R0.4 CC=CCOCCON 34a_100000700252_100000070051 [1,0,0,0,0,0|3,0,0]=4 674 B8R0.4 CC=CCOCCSC 34a_100000230434_100000070051 [1,0,0,0,0,0|3,0,0]=4 675 B8R0.4 CC=CCOCCSC 7a_100000230434_100000070051 [1,0,0,0,0,0|3,0,0]=4 676 B8R0.4 CC=CCSC/C=C/C 62a_100000070051_100102629194 [1,0,0,0,0,0|2,0,1]=4 677 B8R0.4 CC=CCSC/C=C/C 62a_100102629194_100000070051 [1,0,0,0,0,0|2,0,1]=4 678 B8R0.4 CC=CCSCC=CC 62a_100000070051_100000070051 [1,0,0,0,0,0|2,0,1]=4 679 B8R0.4 CC=CCSCCC#N 62a_100000070051_100011215226 [1,0,0,0,0,0|2,0,1]=4 680 B8R0.4 CC=CCSCCC#N 62a_100011215226_100000070051 [1,0,0,0,0,0|2,0,1]=4 681 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,0,0,0,0,0|2,0,1]=4 682 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,0,0,0,0,0|2,0,1]=4 683 B8R0.4 CC=CCSCCCF 62a_100000070051_100011934791 [1,0,0,0,0,0|2,0,1]=4 684 B8R0.4 CC=CCSCCCF 62a_100011934791_100000070051 [1,0,0,0,0,0|2,0,1]=4 685 B8R0.4 CC=CCSCCCO 62a_100000070051_100011215043 [1,0,0,0,0,0|1,0,2]=4 686 B8R0.4 CC=CCSCCCO 62a_100011215043_100000070051 [1,0,0,0,0,0|1,0,2]=4 687 B8R0.4 CC=CCSCCOC 62a_100000070051_100000233755 [1,0,0,0,0,0|3,0,0]=4 688 B8R0.4 CC=CCSCCOC 62a_100000233755_100000070051 [1,0,0,0,0,0|3,0,0]=4 689 B8R0.4 CC=CCSCCSC 62a_100000070051_100000751147 [1,0,0,0,0,0|3,0,0]=4 690 B8R0.4 CC=CCSCCSC 62a_100000212216_100000070051 [1,0,0,0,0,0|3,0,0]=4 691 B8R0.4 CCC#CCOCC=O 34a_100000032950_200009817547 [1,0,0,0,0,0|1,0,2]=4 692 B8R0.4 CCC#CCSCC=O 62a_100009813939_200015260668 [1,0,0,0,0,0|1,0,2]=4 693 B8R0.4 CCC#CCSCC=O 62a_200015260668_100009813939 [1,0,0,0,0,0|1,0,2]=4 694 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [1,0,0,0,0,0|2,0,1]=4 695 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,0,0,0,0,0|2,0,1]=4 696 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,0,0,0,0,0|2,0,1]=4 697 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,0,0,0,0,0|2,0,1]=4 698 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,0,0,0,0,0|2,0,1]=4 699 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,0,0,0,0,0|2,0,1]=4 700 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,0,0,0,0,0|2,0,1]=4 701 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,0,0,0,0,0|2,0,1]=4 702 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,0,0,0,0,0|2,0,1]=4 703 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,0,0,0,0,0|2,0,1]=4 704 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,0,0,0,0,0|2,0,1]=4 705 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,0,0,0,0,0|2,0,1]=4 706 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,0,0,0,0,0|2,0,1]=4 707 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,0,0,0,0,0|2,0,1]=4 708 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,0,0,0,0,0|2,0,1]=4 709 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [1,0,0,0,0,0|1,0,2]=4 710 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [1,0,0,0,0,0|1,0,2]=4 711 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,0,0,0,0,0|1,0,2]=4 712 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,0,0,0,0,0|1,0,2]=4 713 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,0,0,0,0,0|1,0,2]=4 714 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,0,0,0,0,0|1,0,2]=4 715 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,0,0,0,0,0|1,0,2]=4 716 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,0,0,0,0,0|1,0,1]=3 717 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,0,0,0,0,0|1,0,2]=4 718 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,0,0,0,0,0|1,0,1]=3 719 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,0,0,0,0,0|1,0,1]=3 720 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,0,0,0,0,0|1,0,2]=4 721 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,0,0,0,0,0|1,0,2]=4 722 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,0,0,0,0,0|1,0,2]=4 723 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,0,0,0,0,0|1,0,1]=3 724 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,0,0,0,0,0|1,0,1]=3 725 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,0,0,0,0,0|1,0,2]=4 726 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,0,0,0,0,0|1,0,2]=4 727 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,0,0,0,0,0|1,0,2]=4 728 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,0,0,0,0,0|1,0,2]=4 729 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [1,0,0,0,0,0|2,0,1]=4 730 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [1,0,0,0,0,0|2,0,1]=4 731 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [1,0,0,0,0,0|2,0,1]=4 732 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [1,0,0,0,0,0|2,0,1]=4 733 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [1,0,0,0,0,0|2,0,1]=4 734 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [1,0,0,0,0,0|2,0,1]=4 735 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [1,0,0,0,0,0|2,0,1]=4 736 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [1,0,0,0,0,0|2,0,1]=4 737 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,0,0,0,0,0|1,0,2]=4 738 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,0,0,0,0,0|1,0,1]=3 739 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,0,0,0,0,0|1,0,1]=3 740 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [1,0,0,0,0,0|2,0,1]=4 741 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [1,0,0,0,0,0|2,0,1]=4 742 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,0,0,0,0,0|1,0,2]=4 743 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,0,0,0,0,0|1,0,2]=4 744 B8R0.4 CCNCCCCC#N 2230a_100015525214_100000211819 [1,0,0,0,0,0|2,0,1]=4 745 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,0,0,0,0,0|1,0,0]=2 746 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [1,0,0,0,0,0|2,0,1]=4 747 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,0,0,0,0,0|1,0,2]=4 748 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,0,0,0,0,0|1,0,2]=4 749 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,0,0,0,0,0|1,0,2]=4 750 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [1,0,0,0,0,0|3,0,0]=4 751 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,0,0,0,0,0|2,0,1]=4 752 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,0,0,0,0,0|2,0,1]=4 753 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,0,0,0,0,0|2,0,1]=4 754 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,0,0,0,0,0|2,0,1]=4 755 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,0,0,0,0,0|2,0,1]=4 756 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,0,0,0,0,0|2,0,1]=4 757 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,0,0,0,0,0|2,0,1]=4 758 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,0,0,0,0,0|2,0,1]=4 759 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,0,0,0,0,0|1,0,2]=4 760 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,0,0,0,0,0|3,0,0]=4 761 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,0,0,0,0,0|3,0,0]=4 762 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,0,0,0,0,0|3,0,0]=4 763 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,0,0,0,0,0|3,0,0]=4 764 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [1,0,0,0,0,0|2,0,0]=3 765 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [1,0,0,0,0,0|2,0,0]=3 766 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [1,0,0,0,0,0|2,0,0]=3 767 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [1,0,0,0,0,0|2,0,0]=3 768 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [1,0,0,0,0,0|2,0,0]=3 769 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [1,0,0,0,0,0|2,0,0]=3 770 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [1,0,0,0,0,0|2,0,1]=4 771 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [1,0,0,0,0,0|2,0,1]=4 772 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,0,0,0,0,0|1,0,0]=2 773 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,0,0,0,0,0|1,0,0]=2 774 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [1,0,0,0,0,0|2,0,1]=4 775 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [1,0,0,0,0,0|2,0,1]=4 776 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,0,0,0,0,0|1,0,2]=4 777 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,0,0,0,0,0|1,0,2]=4 778 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [1,0,0,0,0,0|3,0,0]=4 779 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [1,0,0,0,0,0|3,0,0]=4 780 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [1,0,0,0,0,0|2,0,0]=3 781 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [1,0,0,0,0,0|2,0,0]=3 782 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [1,0,0,0,0,0|2,0,0]=3 783 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [1,0,0,0,0,0|2,0,0]=3 784 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [1,0,0,0,0,0|2,0,0]=3 785 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [1,0,0,0,0,0|1,0,1]=3 786 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [1,0,0,0,0,0|1,0,1]=3 787 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [1,0,0,0,0,0|2,0,1]=4 788 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [1,0,0,0,0,0|2,0,1]=4 789 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [1,0,0,0,0,0|2,0,1]=4 790 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [1,0,0,0,0,0|2,0,1]=4 791 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [1,0,0,0,0,0|2,0,1]=4 792 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [1,0,0,0,0,0|2,0,1]=4 793 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [1,0,0,0,0,0|2,0,1]=4 794 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [1,0,0,0,0,0|1,0,1]=3 795 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [1,0,0,0,0,0|1,0,1]=3 796 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [1,0,0,0,0,0|2,0,1]=4 797 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [1,0,0,0,0,0|2,0,1]=4 798 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [1,0,0,0,0,0|2,0,1]=4 799 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [1,0,0,0,0,0|2,0,1]=4 800 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [1,0,0,0,0,0|2,0,1]=4 801 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [1,0,0,0,0,0|2,0,1]=4 802 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [1,0,0,0,0,0|2,0,0]=3 803 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [1,0,0,0,0,0|2,0,0]=3 804 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [1,0,0,0,0,0|2,0,1]=4 805 B8R0.4 O=CCCCSCC=O 62a_200011292268_200015260668 [1,0,0,0,0,0|2,0,1]=4 806 B8R0.4 O=CCCCSCC=O 62a_200015260668_200011292268 [1,0,0,0,0,0|2,0,1]=4 807 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [1,0,0,0,0,0|2,0,1]=4 808 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [1,0,0,0,0,0|2,0,1]=4 809 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [1,0,0,0,0,0|2,0,1]=4 810 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [1,0,0,0,0,0|2,0,1]=4 811 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [1,0,0,0,0,0|2,0,1]=4 812 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [1,0,0,0,0,0|2,0,1]=4 813 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [1,0,0,0,0,0|2,0,1]=4 814 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [1,0,0,0,0,0|2,0,1]=4 815 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [1,0,0,0,0,0|2,0,1]=4 816 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [1,0,0,0,0,0|2,0,1]=4 817 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [1,0,0,0,0,0|2,0,1]=4 818 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [1,0,0,0,0,0|2,0,1]=4 819 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [1,0,0,0,0,0|2,0,1]=4 820 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [1,0,0,0,0,0|2,0,1]=4 821 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [1,0,0,0,0,0|2,0,1]=4 822 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [1,0,0,0,0,0|2,0,1]=4 823 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [1,0,0,0,0,0|1,0,1]=3 824 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [1,0,0,0,0,0|1,0,1]=3 825 B10R0.1 C#CCC(=O)CC/C=C\CC 1458a_100011220946_100015370543 [0,1,0,0,0,0|1,0,2]=4 826 B10R0.1 C#CCC(C)OC/C=C\CC 34a_100000685586_100103147603 [0,1,0,0,0,0|2,0,1]=4 827 B10R0.1 C#CCC(C)OC/C=C\CC 7a_100000685586_100103147603 [0,1,0,0,0,0|2,0,1]=4 828 B10R0.1 C#CCCCCC(=O)C=CC 1458a_100000210699_100010269958 [0,1,0,0,0,0|1,0,2]=4 829 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [0,1,0,0,0,0|1,0,2]=4 830 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [0,1,0,0,0,0|1,0,2]=4 831 B10R0.1 C#CCCCCC(=O)NCC 11a_100015525214_100000696528 [0,1,0,0,0,0|2,0,1]=4 832 B10R0.1 C#CCCCCC(=O)NCC 240690a_100015525214_100000696528 [0,1,0,0,0,0|2,0,1]=4 833 B10R0.1 C#CCCCCC(=O)NCC 527a_100015525214_100000696528 [0,1,0,0,0,0|2,0,1]=4 834 B10R0.1 C#CCN(C)CC/C=C\CC 2230a_100000225692_100015370543 [0,1,0,0,0,0|2,0,1]=4 835 B10R0.1 C#CCN(C)CC/C=C\CC 34a_100000225692_100015370543 [0,1,0,0,0,0|2,0,1]=4 836 B10R0.1 C/C=C/C(C)OC/C=C\CC 34a_200102604097_100103147603 [0,1,0,0,0,0|2,0,1]=4 837 B10R0.1 C=CCC(=O)CC/C=C\CC 1458a_100000210193_100015370543 [0,1,0,0,0,0|1,0,1]=3 838 B10R0.1 C=CCCCCC(=O)C#CC 1458a_100000763181_100011215482 [0,1,0,0,0,0|1,0,2]=4 839 B10R0.1 C=CCCCCC(=O)C=CBr 1458a_100016273825_100011215482 [0,1,0,0,0,0|2,0,1]=4 840 B10R0.1 C=CCCCCC(=O)C=CC 1458a_100000210699_100011215482 [0,1,0,0,0,0|1,0,1]=3 841 B10R0.1 C=CCCCCC(=O)C=CCl 1458a_200016279998_100011215482 [0,1,0,0,0,0|2,0,1]=4 842 B10R0.1 C=CCCCCC(=O)C=CI 1458a_100016256311_100011215482 [0,1,0,0,0,0|2,0,1]=4 843 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,1,0,0,0,0|1,0,1]=3 844 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,1,0,0,0,0|1,0,1]=3 845 B10R0.1 C=CCCCCC(=O)CCF 1458a_100011215552_100011217306 [0,1,0,0,0,0|2,0,1]=4 846 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [0,1,0,0,0,0|2,0,1]=4 847 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [0,1,0,0,0,0|2,0,1]=4 848 B10R0.1 C=CCCCCC(=O)COC 1458a_100000210968_100011215482 [0,1,0,0,0,0|2,0,1]=4 849 B10R0.1 C=CCCCCC(=O)CSC 1458a_100000184570_100011215482 [0,1,0,0,0,0|2,0,1]=4 850 B10R0.1 C=CCCCCC(=O)NCC 11a_100015525214_100011215552 [0,1,0,0,0,0|2,0,0]=3 851 B10R0.1 C=CCCCCC(=O)NCC 240690a_100015525214_100011215552 [0,1,0,0,0,0|2,0,0]=3 852 B10R0.1 C=CCCCCC(=O)NCC 527a_100015525214_100011215552 [0,1,0,0,0,0|2,0,0]=3 853 B10R0.1 C=CCCCCC(=O)NNC 22a_100016993582_100011215552 [0,1,0,0,0,0|3,0,0]=4 854 B10R0.1 C=CCCCCN(C)CCC 2230a_100000747261_100011215482 [0,1,0,0,0,0|2,0,1]=4 855 B10R0.1 C=CCCCCN(C)CCC 2230a_100012000471_100000210303 [0,1,0,0,0,0|2,0,1]=4 856 B10R0.1 C=CCCCCN(C)CCC 269982a_100000747261_100011215482 [0,1,0,0,0,0|2,0,1]=4 857 B10R0.1 C=CCCCCN(C)CCC 269982a_100012000471_100000210303 [0,1,0,0,0,0|2,0,1]=4 858 B10R0.1 C=CCCCNC(=O)C=CC 11a_100000700776_100000210699 [0,1,0,0,0,0|2,0,1]=4 859 B10R0.1 C=CCCCNC(=O)C=CC 1626a_100000700776_100000210699 [0,1,0,0,0,0|2,0,1]=4 860 B10R0.1 C=CCCCNC(=O)C=CC 240690a_100000700776_100000210699 [0,1,0,0,0,0|2,0,1]=4 861 B10R0.1 C=CCCCNC(=O)CCC 11a_100000700776_100000211992 [0,1,0,0,0,0|2,0,1]=4 862 B10R0.1 C=CCCCNC(=O)CCC 1626a_100000700776_100000211992 [0,1,0,0,0,0|2,0,1]=4 863 B10R0.1 C=CCCCNC(=O)CCC 240690a_100000700776_100000211992 [0,1,0,0,0,0|2,0,1]=4 864 B10R0.1 C=CCCCNC(=O)CCC 527a_100000700776_100000211992 [0,1,0,0,0,0|2,0,1]=4 865 B10R0.1 C=CCCCNC(=O)NCC 2708a_100000700776_100015525214 [0,1,0,0,0,0|3,0,0]=4 866 B10R0.1 C=CCCCNC(=O)NCC 2708a_100015525214_100000700776 [0,1,0,0,0,0|3,0,0]=4 867 B10R0.1 C=CCCCNC(=O)NCC 273464a_100000700776_100015525214 [0,1,0,0,0,0|3,0,0]=4 868 B10R0.1 C=CCCCNC(=O)NCC 273464a_100015525214_100000700776 [0,1,0,0,0,0|3,0,0]=4 869 B10R0.1 C=CCCCNC(=O)NCC 512a_100000700776_100015525214 [0,1,0,0,0,0|3,0,0]=4 870 B10R0.1 C=CCCCNC(=O)NCC 512a_100015525214_100000700776 [0,1,0,0,0,0|3,0,0]=4 871 B10R0.1 C=CCCNCC(=O)CCC 2230a_100015191253_100000747444 [0,1,0,0,0,0|2,0,1]=4 872 B10R0.1 C=CCCNCC(=O)NCC 2230a_100015191253_100000183381 [0,1,0,0,0,0|3,0,0]=4 873 B10R0.1 C=CCCNCC(=O)NCC 2230a_100016988866_100000754431 [0,1,0,0,0,0|3,0,0]=4 874 B10R0.1 C=CCCNCC(=O)OCC 2230a_100015191253_100000188475 [0,1,0,0,0,0|3,0,0]=4 875 B10R0.1 C=CCCOCC(=O)NCC 34a_100011205117_100000183381 [0,1,0,0,0,0|3,0,0]=4 876 B10R0.1 C=CCCOCC(=O)OCC 34a_100011205117_100000188475 [0,1,0,0,0,0|3,0,0]=4 877 B10R0.1 C=CCCSCC(=O)CCC 62a_100000747444_100000754431 [0,1,0,0,0,0|2,0,1]=4 878 B10R0.1 C=CCCSCC(=O)CCC 62a_100000754431_100000747444 [0,1,0,0,0,0|2,0,1]=4 879 B10R0.1 C=CCCSCC(=O)NCC 62a_100000183381_100000754431 [0,1,0,0,0,0|3,0,0]=4 880 B10R0.1 C=CCCSCC(=O)NCC 62a_100000754431_100000183381 [0,1,0,0,0,0|3,0,0]=4 881 B10R0.1 C=CCCSCC(=O)OCC 62a_100000188475_100000754431 [0,1,0,0,0,0|3,0,0]=4 882 B10R0.1 C=CCCSCC(=O)OCC 62a_100000754431_100000188475 [0,1,0,0,0,0|3,0,0]=4 883 B10R0.1 C=CCN(C)CC/C=C\CC 2230a_100000225617_100015370543 [0,1,0,0,0,0|2,0,0]=3 884 B10R0.1 C=CCN(C)CC/C=C\CC 269982a_100000225617_100015370543 [0,1,0,0,0,0|2,0,0]=3 885 B10R0.1 C=CCNCCC(=O)NCC 2230a_100020586998_100000737597 [0,1,0,0,0,0|3,0,0]=4 886 B10R0.1 C=CCNCCC(=O)NCC 34a_100025743525_100015514636 [0,1,0,0,0,0|3,0,0]=4 887 B10R0.1 C=CCNCCC(=O)OCC 2230a_100020586998_100011206558 [0,1,0,0,0,0|3,0,0]=4 888 B10R0.1 C=CCOCCC(=O)CCC 1458a_200011217002_100000210303 [0,1,0,0,0,0|2,0,1]=4 889 B10R0.1 C=CCOCCC(=O)NCC 11a_100015525214_200011217002 [0,1,0,0,0,0|3,0,0]=4 890 B10R0.1 C=CCOCCC(=O)NCC 240690a_100015525214_200011217002 [0,1,0,0,0,0|3,0,0]=4 891 B10R0.1 C=CCOCCC(=O)NCC 527a_100015525214_200011217002 [0,1,0,0,0,0|3,0,0]=4 892 B10R0.1 C=CCOCCC(=O)OCC 34a_200000210373_100000765890 [0,1,0,0,0,0|3,0,0]=4 893 B10R0.1 C=CCSCCC(=O)NCC 62a_100000210623_100000737597 [0,1,0,0,0,0|3,0,0]=4 894 B10R0.1 C=CCSCCC(=O)NCC 62a_100000737597_100000210623 [0,1,0,0,0,0|3,0,0]=4 895 B10R0.1 C=CCSCCC(=O)OCC 62a_100000210623_100000765890 [0,1,0,0,0,0|3,0,0]=4 896 B10R0.1 C=CCSCCC(=O)OCC 62a_100000765890_100000210623 [0,1,0,0,0,0|3,0,0]=4 897 B10R0.1 C=CC[C@@H](C)OC/C=C\CC 34a_100000731007_100103147603 [0,1,0,0,0,0|2,0,0]=3 898 B10R0.1 C=CC[C@@H](C)OC/C=C\CC 7a_100000731007_100103147603 [0,1,0,0,0,0|2,0,0]=3 899 B10R0.1 CC/C=C\CCC(=O)C=CBr 1458a_100016273825_100015370543 [0,1,0,0,0,0|1,0,2]=4 900 B10R0.1 CC/C=C\CCC(=O)C=CCl 1458a_200016279998_100015370543 [0,1,0,0,0,0|1,0,2]=4 901 B10R0.1 CC/C=C\CCC(=O)C=CI 1458a_100016256311_100015370543 [0,1,0,0,0,0|1,0,2]=4 902 B10R0.1 CC/C=C\CCC(=O)CC#N 1458a_100051588842_100015370543 [0,1,0,0,0,0|1,0,2]=4 903 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [0,1,0,0,0,0|1,0,2]=4 904 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [0,1,0,0,0,0|0,0,3]=4 905 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [0,1,0,0,0,0|2,0,1]=4 906 B10R0.1 CC/C=C\CCC(=O)CSC 1458a_100000184570_100015370543 [0,1,0,0,0,0|2,0,1]=4 907 B10R0.1 CC/C=C\CCN(C)CC#N 2230a_100000748184_100015370543 [0,1,0,0,0,0|2,0,1]=4 908 B10R0.1 CC/C=C\CCN(C)CCC 2230a_100000747261_100015370543 [0,1,0,0,0,0|2,0,1]=4 909 B10R0.1 CC/C=C\CCN(C)CCC 269982a_100000747261_100015370543 [0,1,0,0,0,0|2,0,1]=4 910 B10R0.1 CC/C=C\CCN(C)CCO 2230a_100000210263_100015370543 [0,1,0,0,0,0|1,0,2]=4 911 B10R0.1 CC/C=C\CCN(C)CCO 269982a_100000210263_100015370543 [0,1,0,0,0,0|1,0,2]=4 912 B10R0.1 CC/C=C\CNC(C)CCC 2230a_100000741246_100103147603 [0,1,0,0,0,0|2,0,1]=4 913 B10R0.1 CC/C=C\CN[C@@H](C)CC#N 2230a_100016994482_100103147603 [0,1,0,0,0,0|2,0,1]=4 914 B10R0.1 CC/C=C\CN[C@H](C)CCO 2230a_100000706166_100103147603 [0,1,0,0,0,0|1,0,2]=4 915 B10R0.1 CC/C=C\CN[C@H](C)CCO 34a_100000706166_100103147603 [0,1,0,0,0,0|1,0,2]=4 916 B10R0.1 CC/C=C\CN[C@H](C)COC 2230a_100000764878_100103147603 [0,1,0,0,0,0|3,0,0]=4 917 B10R0.1 CC/C=C\COC(C)CCBr 34a_100012276601_100103147603 [0,1,0,0,0,0|2,0,1]=4 918 B10R0.1 CC/C=C\COC(C)CCC 34a_100000764384_100103147603 [0,1,0,0,0,0|2,0,1]=4 919 B10R0.1 CC/C=C\COC(C)CCC 34a_100016268518_100000766640 [0,1,0,0,0,0|2,0,1]=4 920 B10R0.1 CC/C=C\COC(C)CCC 7a_100000764384_100103147603 [0,1,0,0,0,0|2,0,1]=4 921 B10R0.1 CC/C=C\COC(C)CCO 34a_100016268518_100009893172 [0,1,0,0,0,0|1,0,2]=4 922 B10R0.1 CC/C=C\COC(C)COC 34a_100016268518_100000765312 [0,1,0,0,0,0|3,0,0]=4 923 B10R0.1 CC/C=C\CO[C@H](C)COC 34a_100011934205_100103147603 [0,1,0,0,0,0|3,0,0]=4 924 B10R0.1 CC/C=C\CSC(C)CC#N 62a_100009813641_100103147603 [0,1,0,0,0,0|2,0,1]=4 925 B10R0.1 CC/C=C\CSC(C)CC#N 62a_100103147603_100009813641 [0,1,0,0,0,0|2,0,1]=4 926 B10R0.1 CC/C=C\CSC(C)CCC 62a_100000766640_100103147603 [0,1,0,0,0,0|2,0,1]=4 927 B10R0.1 CC/C=C\CSC(C)CCC 62a_100103147603_100000766640 [0,1,0,0,0,0|2,0,1]=4 928 B10R0.1 CC/C=C\CSC(C)CCO 62a_100009893172_100103147603 [0,1,0,0,0,0|1,0,2]=4 929 B10R0.1 CC/C=C\CSC(C)CCO 62a_100103147603_100009893172 [0,1,0,0,0,0|1,0,2]=4 930 B10R0.1 CC/C=C\CSC(C)COC 62a_100000765312_100103147603 [0,1,0,0,0,0|3,0,0]=4 931 B10R0.1 CC/C=C\CSC(C)COC 62a_100103147603_100000765312 [0,1,0,0,0,0|3,0,0]=4 932 B10R0.1 CC=CC(=O)CC/C=C\CC 1458a_100000210699_100015370543 [0,1,0,0,0,0|1,0,2]=4 933 B10R0.1 CC=CC(=O)CCCCC#N 1458a_100000210699_100000211819 [0,1,0,0,0,0|1,0,2]=4 934 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,1,0,0,0,0|1,0,2]=4 935 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [0,1,0,0,0,0|1,0,2]=4 936 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [0,1,0,0,0,0|0,0,3]=4 937 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [0,1,0,0,0,0|2,0,1]=4 938 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [0,1,0,0,0,0|1,0,2]=4 939 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,1,0,0,0,0|1,0,2]=4 940 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,1,0,0,0,0|0,0,3]=4 941 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,1,0,0,0,0|0,0,3]=4 942 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,1,0,0,0,0|2,0,1]=4 943 B10R0.1 CCCC(=O)OCSCC=O 62a_200015260668_100000034017 [0,1,0,0,0,0|2,0,1]=4 944 B10R0.1 CCCC(C)CCOCC=O 34a_100011217855_200009817547 [0,1,0,0,0,0|1,0,2]=4 945 B10R0.1 CCCC(C)CCOCC=O 7a_100011217855_200015260668 [0,1,0,0,0,0|1,0,2]=4 946 B10R0.1 CCCC(C)NCCCC=O 2230a_100000741246_200011292268 [0,1,0,0,0,0|1,0,2]=4 947 B10R0.1 CCCC(C)OCCCC=O 7a_100000764384_200011292268 [0,1,0,0,0,0|1,0,2]=4 948 B10R0.1 CCCC(C)SCCCC=O 62a_100000766640_200011292268 [0,1,0,0,0,0|1,0,2]=4 949 B10R0.1 CCCC(C)SCCCC=O 62a_200011292268_100000766640 [0,1,0,0,0,0|1,0,2]=4 950 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,1,0,0,0,0|1,0,2]=4 951 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,1,0,0,0,0|1,0,2]=4 952 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,1,0,0,0,0|2,0,1]=4 953 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,1,0,0,0,0|2,0,1]=4 954 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,1,0,0,0,0|2,0,1]=4 955 B10R0.1 CCCCCCN(C)CC=O 2230a_106256046315_200015260668 [0,1,0,0,0,0|1,0,2]=4 956 B10R0.1 CCCCCCN(C)CC=O 269982a_106256046315_200015260668 [0,1,0,0,0,0|1,0,2]=4 957 B10R0.1 CCCN(C)CCCCC=O 2230a_100000747261_100000139335 [0,1,0,0,0,0|1,0,1]=3 958 B10R0.1 CCCN(C)CCCCC=O 269982a_100000747261_100000139335 [0,1,0,0,0,0|1,0,1]=3 959 B10R0.1 CCC[C@H](N)CCOCC=O 34a_100015193777_200009817547 [0,1,0,0,0,0|1,0,2]=4 960 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,1,0,0,0,0|1,0,2]=4 961 B10R0.1 CCNC(=O)CCNCC=O 34a_100025743525_200009817547 [0,1,0,0,0,0|2,0,0]=3 962 B10R0.1 CCNC(=O)CCSCC=O 62a_100000737597_200015260668 [0,1,0,0,0,0|2,0,0]=3 963 B10R0.1 CCNC(=O)CCSCC=O 62a_200015260668_100000737597 [0,1,0,0,0,0|2,0,0]=3 964 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,1,0,0,0,0|3,0,0]=4 965 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,1,0,0,0,0|3,0,0]=4 966 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,1,0,0,0,0|3,0,0]=4 967 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,1,0,0,0,0|3,0,0]=4 968 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,1,0,0,0,0|3,0,0]=4 969 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,1,0,0,0,0|3,0,0]=4 970 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,1,0,0,0,0|3,0,0]=4 971 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,1,0,0,0,0|3,0,0]=4 972 B10R0.1 CCOC(=O)CCSCC=O 62a_100000765890_200015260668 [0,1,0,0,0,0|2,0,0]=3 973 B10R0.1 CCOC(=O)CCSCC=O 62a_200015260668_100000765890 [0,1,0,0,0,0|2,0,0]=3 974 B10R0.1 CCOC(=O)OCSCC=O 62a_200015260668_100000075025 [0,1,0,0,0,0|3,0,0]=4 975 B10R0.1 CN(CCO)CCCCC=O 2230a_100000210263_100000139335 [0,1,0,0,0,0|2,0,1]=4 976 B10R0.1 CN(CCO)CCCCC=O 269982a_100000210263_100000139335 [0,1,0,0,0,0|2,0,1]=4 977 B10R0.4 C/C=C/C=C/COCC(=O)N 34a_100016283227_100000187820 [0,1,0,0,0,0|1,0,2]=4 978 B10R0.4 C/C=C/C=C/COCC(=O)[O-] 34a_100016283227_100020667443 [0,1,0,0,0,0|1,0,2]=4 979 B10R0.4 C/C=C/CCOCCC(=O)N 34a_100016278192_100000731001 [0,1,0,0,0,0|1,0,2]=4 980 B10R0.4 C/C=C/CNCCCC(=O)N 34a_100000739312_100102629194 [0,1,0,0,0,0|1,0,2]=4 981 B10R0.4 C/C=C/COCCCC(=O)C 34a_100000759063_100102629194 [0,1,0,0,0,0|1,0,2]=4 982 B10R0.4 C/C=C/COCCCC(=O)C 34a_100016270725_100000685027 [0,1,0,0,0,0|1,0,2]=4 983 B10R0.4 C/C=C/COCCCC(=O)C 7a_100000759063_100102629194 [0,1,0,0,0,0|1,0,2]=4 984 B10R0.4 C/C=C/COCCCC(=O)N 34a_100016270725_100102525003 [0,1,0,0,0,0|1,0,2]=4 985 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100011215641_100102629194 [0,1,0,0,0,0|1,0,2]=4 986 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100102629194_100011215641 [0,1,0,0,0,0|1,0,2]=4 987 B10R0.4 C/C=C/CSCCCC(=O)N 62a_100102525003_100102629194 [0,1,0,0,0,0|1,0,2]=4 988 B10R0.4 C/C=C/CSCCCC(=O)N 62a_100102629194_100102525003 [0,1,0,0,0,0|1,0,2]=4 989 B10R0.4 C=C(Br)CCOC/C=C\CC 34a_100009813270_100103147603 [0,1,0,0,0,0|2,0,0]=3 990 B10R0.4 C=C(C)CCOC/C=C\CC 34a_100000764851_100103147603 [0,1,0,0,0,0|2,0,0]=3 991 B10R0.4 C=C(C)CCOC/C=C\CC 34a_100016268518_100000730704 [0,1,0,0,0,0|2,0,0]=3 992 B10R0.4 C=C(C)CCSC/C=C\CC 62a_100000730704_100103147603 [0,1,0,0,0,0|2,0,0]=3 993 B10R0.4 C=C(C)CCSC/C=C\CC 62a_100103147603_100000730704 [0,1,0,0,0,0|2,0,0]=3 994 B10R0.4 C=C(C)COCC/C=C\CC 34a_100000210245_100015370543 [0,1,0,0,0,0|2,0,0]=3 995 B10R0.4 C=C(C)COCC/C=C\CC 34a_100016288707_100000748629 [0,1,0,0,0,0|2,0,0]=3 996 B10R0.4 C=C(C)COCC/C=C\CC 7a_100016288707_100000748629 [0,1,0,0,0,0|2,0,0]=3 997 B10R0.4 C=C(C)CSCC/C=C\CC 62a_100000748629_100015370543 [0,1,0,0,0,0|2,0,0]=3 998 B10R0.4 C=C(C)CSCC/C=C\CC 62a_100015370543_100000211660 [0,1,0,0,0,0|2,0,0]=3 999 B10R0.4 C=C(C)CSCCCCC=O 62a_100000139335_100000211660 [0,1,0,0,0,0|1,0,2]=4 1000 B10R0.4 C=C(C)CSCCCCC=O 62a_100000748629_100000139335 [0,1,0,0,0,0|1,0,2]=4 1001 B10R0.4 C=C(F)COCC/C=C\CC 34a_100016288707_100009893438 [0,1,0,0,0,0|2,0,0]=3 1002 B10R0.4 C=C(F)COCC/C=C\CC 34a_200010262243_100015370543 [0,1,0,0,0,0|2,0,0]=3 1003 B10R0.4 C=C(F)COCC/C=C\CC 7a_100016288707_100000042424 [0,1,0,0,0,0|2,0,0]=3 1004 B10R0.4 C=C(F)CSCC/C=C\CC 62a_100000042424_100015370543 [0,1,0,0,0,0|2,0,0]=3 1005 B10R0.4 C=C(F)CSCC/C=C\CC 62a_100015370543_100000042424 [0,1,0,0,0,0|2,0,0]=3 1006 B10R0.4 C=CCCCCCNC(C)C 2230a_100138425928_100000700193 [0,1,0,0,0,0|2,0,1]=4 1007 B10R0.4 C=CCCCCCNC(C)C 34a_100138425928_100000700193 [0,1,0,0,0,0|2,0,1]=4 1008 B10R0.4 C=CCCCCCOC(C)C 34a_100000212225_100000700193 [0,1,0,0,0,0|2,0,1]=4 1009 B10R0.4 C=CCCCCCOC(C)C 34a_100011216702_100000210206 [0,1,0,0,0,0|2,0,1]=4 1010 B10R0.4 C=CCCCCCOC(C)C 7a_100011216702_100000210206 [0,1,0,0,0,0|2,0,1]=4 1011 B10R0.4 C=CCCCCCSC(C)C 62a_100000210206_100000700193 [0,1,0,0,0,0|2,0,1]=4 1012 B10R0.4 C=CCCCCCSC(C)C 62a_100000700193_100000210206 [0,1,0,0,0,0|2,0,1]=4 1013 B10R0.4 C=CCCCCNCC(C)C 2230a_100000210953_100011215482 [0,1,0,0,0,0|2,0,1]=4 1014 B10R0.4 C=CCCCCNCC(C)C 2230a_100000703577_100000210760 [0,1,0,0,0,0|2,0,1]=4 1015 B10R0.4 C=CCCCCNCC(C)C 270004a_100000703577_100000210432 [0,1,0,0,0,0|2,0,1]=4 1016 B10R0.4 C=CCCCCNCC(C)C 34a_100000210953_100011215482 [0,1,0,0,0,0|2,0,1]=4 1017 B10R0.4 C=CCCCCNCC(C)C 34a_100000703577_100000210624 [0,1,0,0,0,0|2,0,1]=4 1018 B10R0.4 C=CCCCCNCC(C)O 2230a_100000210904_100011215482 [0,1,0,0,0,0|2,0,1]=4 1019 B10R0.4 C=CCCCCNCC(C)O 2230a_100000703577_100011218427 [0,1,0,0,0,0|2,0,1]=4 1020 B10R0.4 C=CCCCCNCC(C)O 34a_100000210904_100011215482 [0,1,0,0,0,0|2,0,1]=4 1021 B10R0.4 C=CCCCCNCC(C)O 34a_100000703577_100011218427 [0,1,0,0,0,0|2,0,1]=4 1022 B10R0.4 C=CCCCCNC[C@@H](C)O 2230a_100000703577_100009817552 [0,1,0,0,0,0|2,0,1]=4 1023 B10R0.4 C=CCCCCNC[C@@H](C)O 34a_100000703577_100009817552 [0,1,0,0,0,0|2,0,1]=4 1024 B10R0.4 C=CCCCCOCC(C)Br 34a_100012180447_100011215482 [0,1,0,0,0,0|2,0,1]=4 1025 B10R0.4 C=CCCCCOCC(C)C 34a_100000210257_100011215482 [0,1,0,0,0,0|2,0,1]=4 1026 B10R0.4 C=CCCCCOCC(C)C 34a_100000766645_100000210624 [0,1,0,0,0,0|2,0,1]=4 1027 B10R0.4 C=CCCCCOCC(C)C 7a_100000766645_100000210760 [0,1,0,0,0,0|2,0,1]=4 1028 B10R0.4 C=CCCCCOCC(C)F 34a_100015925927_100011215482 [0,1,0,0,0,0|2,0,1]=4 1029 B10R0.4 C=CCCCCOCC(C)O 34a_100000766645_100011218427 [0,1,0,0,0,0|2,0,1]=4 1030 B10R0.4 C=CCCCCOCC(C)O 7a_100000766645_100011218427 [0,1,0,0,0,0|2,0,1]=4 1031 B10R0.4 C=CCCCCOC[C@@H](C)Cl 34a_100016084084_100011215482 [0,1,0,0,0,0|2,0,1]=4 1032 B10R0.4 C=CCCCCOC[C@@H](C)N 34a_100000737577_100011215482 [0,1,0,0,0,0|2,0,1]=4 1033 B10R0.4 C=CCCCCOC[C@@H](C)O 34a_100000766645_100009817552 [0,1,0,0,0,0|2,0,1]=4 1034 B10R0.4 C=CCCCCOC[C@@H](C)O 7a_100000766645_100009817552 [0,1,0,0,0,0|2,0,1]=4 1035 B10R0.4 C=CCCCCSCC(C)C 62a_100000210624_100011215482 [0,1,0,0,0,0|2,0,1]=4 1036 B10R0.4 C=CCCCCSCC(C)C 62a_100011215482_100000210760 [0,1,0,0,0,0|2,0,1]=4 1037 B10R0.4 C=CCCCCSCC(C)O 62a_100011215482_100011218427 [0,1,0,0,0,0|2,0,1]=4 1038 B10R0.4 C=CCCCCSCC(C)O 62a_100011218427_100011215482 [0,1,0,0,0,0|2,0,1]=4 1039 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100009817552_100011215482 [0,1,0,0,0,0|2,0,1]=4 1040 B10R0.4 C=CCCCCSC[C@@H](C)O 62a_100011215482_100009817552 [0,1,0,0,0,0|2,0,1]=4 1041 B10R0.4 CC(=CCSCCCC=O)C 62a_100000761012_200011292268 [0,1,0,0,0,0|1,0,2]=4 1042 B10R0.4 CC(=CCSCCCC=O)C 62a_200011292268_100000761012 [0,1,0,0,0,0|1,0,2]=4 1043 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,1,0,0,0,0|1,0,2]=4 1044 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,1,0,0,0,0|1,0,2]=4 1045 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,1,0,0,0,0|2,0,1]=4 1046 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,1,0,0,0,0|2,0,1]=4 1047 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,1,0,0,0,0|2,0,1]=4 1048 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,1,0,0,0,0|2,0,1]=4 1049 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,1,0,0,0,0|2,0,1]=4 1050 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,1,0,0,0,0|2,0,1]=4 1051 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,1,0,0,0,0|2,0,1]=4 1052 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,1,0,0,0,0|2,0,1]=4 1053 B10R0.4 CC(C)CCCCOCC=O 34a_100011214890_200009817547 [0,1,0,0,0,0|1,0,2]=4 1054 B10R0.4 CC(C)CCCCOCC=O 7a_100011214890_200015260668 [0,1,0,0,0,0|1,0,2]=4 1055 B10R0.4 CC(C)CCCCSCC=O 62a_100011216152_200015260668 [0,1,0,0,0,0|1,0,2]=4 1056 B10R0.4 CC(C)CCCCSCC=O 62a_200015260668_100011216152 [0,1,0,0,0,0|1,0,2]=4 1057 B10R0.4 CC(C)CCOCCCC=O 7a_100000210254_200011292268 [0,1,0,0,0,0|1,0,2]=4 1058 B10R0.4 CC(C)CCSCCCC=O 62a_100000210312_200011292268 [0,1,0,0,0,0|1,0,2]=4 1059 B10R0.4 CC(C)CCSCCCC=O 62a_200011292268_100000210312 [0,1,0,0,0,0|1,0,2]=4 1060 B10R0.4 CC(C)CNCCCCC=O 2230a_100000210953_100000139335 [0,1,0,0,0,0|1,0,1]=3 1061 B10R0.4 CC(C)CNCCOCC=O 34a_100015185251_200009817547 [0,1,0,0,0,0|2,0,1]=4 1062 B10R0.4 CC(C)COCCOCC=O 34a_100000703358_200009817547 [0,1,0,0,0,0|2,0,1]=4 1063 B10R0.4 CC(C)COCCOCC=O 7a_100000703358_200015260668 [0,1,0,0,0,0|2,0,1]=4 1064 B10R0.4 CC(C)CSCCCCC=O 62a_100000139335_100000210760 [0,1,0,0,0,0|1,0,1]=3 1065 B10R0.4 CC(C)CSCCCCC=O 62a_100000210624_100000139335 [0,1,0,0,0,0|1,0,1]=3 1066 B10R0.4 CC(C)CSCCOCC=O 34a_200000230437_200009817547 [0,1,0,0,0,0|2,0,1]=4 1067 B10R0.4 CC(C)CSCCOCC=O 7a_200000230437_200015260668 [0,1,0,0,0,0|2,0,1]=4 1068 B10R0.4 CC(C)NCCCCCC=O 2230a_100138425928_100000139337 [0,1,0,0,0,0|1,0,1]=3 1069 B10R0.4 CC(C)NCCCOCC=O 34a_100000182298_200009817547 [0,1,0,0,0,0|2,0,1]=4 1070 B10R0.4 CC(C)OCCCNCC=O 2230a_100000737246_200015260668 [0,1,0,0,0,0|2,0,1]=4 1071 B10R0.4 CC(C)OCCCNCC=O 34a_100000737246_200009817547 [0,1,0,0,0,0|2,0,1]=4 1072 B10R0.4 CC(C)OCSCCCC=O 62a_100000709892_200011292268 [0,1,0,0,0,0|2,0,1]=4 1073 B10R0.4 CC(C)OCSCCCC=O 62a_200011292268_100000709892 [0,1,0,0,0,0|2,0,1]=4 1074 B10R0.4 CC(C)SCCCCCC=O 62a_100000139337_100000210206 [0,1,0,0,0,0|1,0,1]=3 1075 B10R0.4 CC(C)SCCCCCC=O 62a_100000210206_100000139337 [0,1,0,0,0,0|1,0,1]=3 1076 B10R0.4 CC(O)CCNCCCC=O 2230a_200000755665_200011292268 [0,1,0,0,0,0|1,0,2]=4 1077 B10R0.4 CC(O)CCSCCCC=O 62a_100012276601_200011292268 [0,1,0,0,0,0|1,0,2]=4 1078 B10R0.4 CC(O)CCSCCCC=O 62a_200011292268_100012276601 [0,1,0,0,0,0|1,0,2]=4 1079 B10R0.4 CC(O)CNCCCCC=O 2230a_100000210904_100000139335 [0,1,0,0,0,0|1,0,1]=3 1080 B10R0.4 CC(O)CSCCCCC=O 62a_100000139335_100011218427 [0,1,0,0,0,0|1,0,1]=3 1081 B10R0.4 CC(O)CSCCCCC=O 62a_100011218427_100000139335 [0,1,0,0,0,0|1,0,1]=3 1082 B10R0.4 CC/C=C/CCCOC(C)C 34a_100016287902_100000210206 [0,1,0,0,0,0|2,0,1]=4 1083 B10R0.4 CC/C=C/CCCOC(C)C 7a_100016287902_100000210206 [0,1,0,0,0,0|2,0,1]=4 1084 B10R0.4 CC/C=C\CCNCC(=O)N 2230a_100000711301_100015370543 [0,1,0,0,0,0|1,0,0]=2 1085 B10R0.4 CC/C=C\CCNCC(=O)O 269956a_100016091260_100015370543 [0,1,0,0,0,0|1,0,0]=2 1086 B10R0.4 CC/C=C\CCNCC(C)C 2230a_100000210953_100015370543 [0,1,0,0,0,0|2,0,1]=4 1087 B10R0.4 CC/C=C\CCNCC(C)C 34a_100000210953_100015370543 [0,1,0,0,0,0|2,0,1]=4 1088 B10R0.4 CC/C=C\CCNCC(C)O 2230a_100000210904_100015370543 [0,1,0,0,0,0|1,0,2]=4 1089 B10R0.4 CC/C=C\CCNCC(C)O 34a_100000210904_100015370543 [0,1,0,0,0,0|1,0,2]=4 1090 B10R0.4 CC/C=C\CCNCC(F)F 34a_100000765723_100015370543 [0,1,0,0,0,0|2,0,1]=4 1091 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [0,1,0,0,0,0|1,0,0]=2 1092 B10R0.4 CC/C=C\CCOCC(=O)N 34a_100016288707_100000187820 [0,1,0,0,0,0|1,0,0]=2 1093 B10R0.4 CC/C=C\CCOCC(=O)N 7a_100016288707_100000187820 [0,1,0,0,0,0|1,0,0]=2 1094 B10R0.4 CC/C=C\CCOCC(=O)[O-] 34a_100016288707_100020667443 [0,1,0,0,0,0|1,0,0]=2 1095 B10R0.4 CC/C=C\CCOCC(C)Br 34a_100012180447_100015370543 [0,1,0,0,0,0|2,0,1]=4 1096 B10R0.4 CC/C=C\CCOCC(C)C 34a_100000210257_100015370543 [0,1,0,0,0,0|2,0,1]=4 1097 B10R0.4 CC/C=C\CCOCC(C)C 34a_100016288707_100000210624 [0,1,0,0,0,0|2,0,1]=4 1098 B10R0.4 CC/C=C\CCOCC(C)C 7a_100016288707_100000210760 [0,1,0,0,0,0|2,0,1]=4 1099 B10R0.4 CC/C=C\CCOCC(C)F 34a_100015925927_100015370543 [0,1,0,0,0,0|2,0,1]=4 1100 B10R0.4 CC/C=C\CCOCC(C)O 34a_100016288707_100011218427 [0,1,0,0,0,0|1,0,2]=4 1101 B10R0.4 CC/C=C\CCOCC(C)O 7a_100016288707_100011218427 [0,1,0,0,0,0|1,0,2]=4 1102 B10R0.4 CC/C=C\CCOCC(F)F 34a_100000743014_100015370543 [0,1,0,0,0,0|2,0,1]=4 1103 B10R0.4 CC/C=C\CCOCC(F)F 34a_100016288707_100011934356 [0,1,0,0,0,0|2,0,1]=4 1104 B10R0.4 CC/C=C\CCOCC(F)F 7a_100016288707_100011934356 [0,1,0,0,0,0|2,0,1]=4 1105 B10R0.4 CC/C=C\CCOC[C@@H](C)Cl 34a_100016084084_100015370543 [0,1,0,0,0,0|2,0,1]=4 1106 B10R0.4 CC/C=C\CCOC[C@@H](C)N 34a_100000737577_100015370543 [0,1,0,0,0,0|2,0,1]=4 1107 B10R0.4 CC/C=C\CCOC[C@@H](C)O 34a_100016288707_100009817552 [0,1,0,0,0,0|1,0,2]=4 1108 B10R0.4 CC/C=C\CCOC[C@@H](C)O 7a_100016288707_100009817552 [0,1,0,0,0,0|1,0,2]=4 1109 B10R0.4 CC/C=C\CCOC[N+](=O)[O-] 34a_100016288707_100000761209 [0,1,0,0,0,0|2,0,0]=3 1110 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100000747473_100015370543 [0,1,0,0,0,0|1,0,0]=2 1111 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100015370543_100000747473 [0,1,0,0,0,0|1,0,0]=2 1112 B10R0.4 CC/C=C\CCSCC(=O)[O-] 62a_100015370543_100020667443 [0,1,0,0,0,0|1,0,0]=2 1113 B10R0.4 CC/C=C\CCSCC(=O)[O-] 62a_100020667443_100015370543 [0,1,0,0,0,0|1,0,0]=2 1114 B10R0.4 CC/C=C\CCSCC(C)C 62a_100000210624_100015370543 [0,1,0,0,0,0|2,0,1]=4 1115 B10R0.4 CC/C=C\CCSCC(C)C 62a_100015370543_100000210760 [0,1,0,0,0,0|2,0,1]=4 1116 B10R0.4 CC/C=C\CCSCC(C)O 62a_100011218427_100015370543 [0,1,0,0,0,0|1,0,2]=4 1117 B10R0.4 CC/C=C\CCSCC(C)O 62a_100015370543_100011218427 [0,1,0,0,0,0|1,0,2]=4 1118 B10R0.4 CC/C=C\CCSCC(F)F 62a_100011934356_100015370543 [0,1,0,0,0,0|2,0,1]=4 1119 B10R0.4 CC/C=C\CCSCC(F)F 62a_100015370543_100011934356 [0,1,0,0,0,0|2,0,1]=4 1120 B10R0.4 CC/C=C\CCSC[C@@H](C)O 62a_100009817552_100015370543 [0,1,0,0,0,0|1,0,2]=4 1121 B10R0.4 CC/C=C\CCSC[C@@H](C)O 62a_100015370543_100009817552 [0,1,0,0,0,0|1,0,2]=4 1122 B10R0.4 CC/C=C\CCSC[N+](=O)[O-] 62a_100015370543_100000761209 [0,1,0,0,0,0|2,0,0]=3 1123 B10R0.4 CC/C=C\CNCC=C(C)C 34a_100000718196_100103147603 [0,1,0,0,0,0|2,0,1]=4 1124 B10R0.4 CC/C=C\CNCCC(C)O 2230a_200000755665_100103147603 [0,1,0,0,0,0|1,0,2]=4 1125 B10R0.4 CC/C=C\CNOCC(=O)O 269956a_100000106656_100103147603 [0,1,0,0,0,0|2,0,0]=3 1126 B10R0.4 CC/C=C\COCC=C(C)C 34a_100000753907_100103147603 [0,1,0,0,0,0|2,0,1]=4 1127 B10R0.4 CC/C=C\COCC=C(C)C 34a_100016268518_100000761012 [0,1,0,0,0,0|2,0,1]=4 1128 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [0,1,0,0,0,0|1,0,0]=2 1129 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [0,1,0,0,0,0|1,0,0]=2 1130 B10R0.4 CC/C=C\COCCC(=O)N 34a_100000757172_100103147603 [0,1,0,0,0,0|1,0,0]=2 1131 B10R0.4 CC/C=C\COCCC(=O)N 34a_100016268518_100000731001 [0,1,0,0,0,0|1,0,0]=2 1132 B10R0.4 CC/C=C\COCCC(=O)N 7a_100000757172_100103147603 [0,1,0,0,0,0|1,0,0]=2 1133 B10R0.4 CC/C=C\COCCC(C)Br 34a_100009893172_100103147603 [0,1,0,0,0,0|2,0,1]=4 1134 B10R0.4 CC/C=C\COCCC(C)C 34a_100000210254_100103147603 [0,1,0,0,0,0|2,0,1]=4 1135 B10R0.4 CC/C=C\COCCC(C)C 34a_100016268518_100000210312 [0,1,0,0,0,0|2,0,1]=4 1136 B10R0.4 CC/C=C\COCCC(C)C 7a_100000210254_100103147603 [0,1,0,0,0,0|2,0,1]=4 1137 B10R0.4 CC/C=C\COCCC(C)O 34a_100016268518_100012276601 [0,1,0,0,0,0|1,0,2]=4 1138 B10R0.4 CC/C=C\COCCC(F)F 34a_100103093639_100103147603 [0,1,0,0,0,0|2,0,1]=4 1139 B10R0.4 CC/C=C\COCC[C@@H](C)N 34a_100000706166_100103147603 [0,1,0,0,0,0|2,0,1]=4 1140 B10R0.4 CC/C=C\COCOC(=O)C 34a_100016268518_100009813279 [0,1,0,0,0,0|2,0,0]=3 1141 B10R0.4 CC/C=C\CSCC=C(C)C 62a_100000761012_100103147603 [0,1,0,0,0,0|2,0,1]=4 1142 B10R0.4 CC/C=C\CSCC=C(C)C 62a_100103147603_100000761012 [0,1,0,0,0,0|2,0,1]=4 1143 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100000053229_100103147603 [0,1,0,0,0,0|1,0,0]=2 1144 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100103147603_100000053229 [0,1,0,0,0,0|1,0,0]=2 1145 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100000744528_100103147603 [0,1,0,0,0,0|1,0,0]=2 1146 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100103147603_100000744528 [0,1,0,0,0,0|1,0,0]=2 1147 B10R0.4 CC/C=C\CSCCC(C)C 62a_100000210312_100103147603 [0,1,0,0,0,0|2,0,1]=4 1148 B10R0.4 CC/C=C\CSCCC(C)C 62a_100103147603_100000210312 [0,1,0,0,0,0|2,0,1]=4 1149 B10R0.4 CC/C=C\CSCCC(C)O 62a_100012276601_100103147603 [0,1,0,0,0,0|1,0,2]=4 1150 B10R0.4 CC/C=C\CSCCC(C)O 62a_100103147603_100012276601 [0,1,0,0,0,0|1,0,2]=4 1151 B10R0.4 CC/C=C\CSCCN(C)C 62a_100103147603_100000755713 [0,1,0,0,0,0|3,0,0]=4 1152 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100000076356_100103147603 [0,1,0,0,0,0|2,0,0]=3 1153 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100103147603_100000076356 [0,1,0,0,0,0|2,0,0]=3 1154 B10R0.4 CC=C=CCCOCC(=O)N 34a_100011020354_100000187820 [0,1,0,0,0,0|1,0,2]=4 1155 B10R0.4 CC=C=CCCOCC(=O)[O-] 34a_100011020354_100020667443 [0,1,0,0,0,0|1,0,2]=4 1156 B10R0.4 CC=CCCCOCC(=O)N 34a_100020645299_100000187820 [0,1,0,0,0,0|1,0,2]=4 1157 B10R0.4 CC=CCCCOCC(=O)[O-] 34a_100020645299_100020667443 [0,1,0,0,0,0|1,0,2]=4 1158 B10R0.4 CC=CCNCCCC(=O)N 34a_100000739312_100000070051 [0,1,0,0,0,0|1,0,2]=4 1159 B10R0.4 CC=CCOCCCC(=O)C 34a_100000759063_100000070051 [0,1,0,0,0,0|1,0,2]=4 1160 B10R0.4 CC=CCOCCCC(=O)C 7a_100000759063_100000070051 [0,1,0,0,0,0|1,0,2]=4 1161 B10R0.4 CC=CCSCCCC(=O)C 62a_100000070051_100011215641 [0,1,0,0,0,0|1,0,2]=4 1162 B10R0.4 CC=CCSCCCC(=O)C 62a_100011215641_100000070051 [0,1,0,0,0,0|1,0,2]=4 1163 B10R0.4 CC=CCSCCCC(=O)N 62a_100000070051_100102525003 [0,1,0,0,0,0|1,0,2]=4 1164 B10R0.4 CC=CCSCCCC(=O)N 62a_100102525003_100000070051 [0,1,0,0,0,0|1,0,2]=4 1165 B10R0.4 CCC#CCCOCC(=O)N 34a_100000036655_100000187820 [0,1,0,0,0,0|1,0,2]=4 1166 B10R0.4 CCC#CCCOCC(=O)N 7a_100000036655_100000187820 [0,1,0,0,0,0|1,0,2]=4 1167 B10R0.4 CCC#CCCOCC(=O)[O-] 34a_100000036655_100020667443 [0,1,0,0,0,0|1,0,2]=4 1168 B10R0.4 CCC#CCOCCC(=O)C 34a_100000759926_100009813939 [0,1,0,0,0,0|1,0,2]=4 1169 B10R0.4 CCC#CCOCCC(=O)C 7a_100000759926_100009813939 [0,1,0,0,0,0|1,0,2]=4 1170 B10R0.4 CCC#CCOCCC(=O)N 34a_100000032950_100000731001 [0,1,0,0,0,0|1,0,2]=4 1171 B10R0.4 CCC#CCOCCC(=O)N 34a_100000757172_100009813939 [0,1,0,0,0,0|1,0,2]=4 1172 B10R0.4 CCC#CCOCCC(=O)N 7a_100000757172_100009813939 [0,1,0,0,0,0|1,0,2]=4 1173 B10R0.4 CCC#CCSCCC(=O)C 62a_100000053229_100009813939 [0,1,0,0,0,0|1,0,2]=4 1174 B10R0.4 CCC#CCSCCC(=O)C 62a_100009813939_100000053229 [0,1,0,0,0,0|1,0,2]=4 1175 B10R0.4 CCC#CCSCCC(=O)N 62a_100000744528_100009813939 [0,1,0,0,0,0|1,0,2]=4 1176 B10R0.4 CCC#CCSCCC(=O)N 62a_100009813939_100000744528 [0,1,0,0,0,0|1,0,2]=4 1177 B10R0.4 CCC/C=C/COCC(=O)N 34a_100016278788_100000187820 [0,1,0,0,0,0|1,0,2]=4 1178 B10R0.4 CCC/C=C/COCC(=O)N 7a_100016278788_100000187820 [0,1,0,0,0,0|1,0,2]=4 1179 B10R0.4 CCC/C=C/COCC(=O)[O-] 34a_100016278788_100020667443 [0,1,0,0,0,0|1,0,2]=4 1180 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,1,0,0,0,0|1,0,2]=4 1181 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,1,0,0,0,0|1,0,2]=4 1182 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,1,0,0,0,0|0,0,2]=3 1183 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,1,0,0,0,0|0,0,2]=3 1184 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,1,0,0,0,0|0,0,2]=3 1185 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,1,0,0,0,0|1,0,2]=4 1186 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,1,0,0,0,0|1,0,2]=4 1187 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,1,0,0,0,0|1,0,2]=4 1188 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,1,0,0,0,0|1,0,2]=4 1189 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [0,1,0,0,0,0|1,0,2]=4 1190 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [0,1,0,0,0,0|1,0,2]=4 1191 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,1,0,0,0,0|1,0,2]=4 1192 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,1,0,0,0,0|1,0,2]=4 1193 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,1,0,0,0,0|1,0,2]=4 1194 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,1,0,0,0,0|1,0,2]=4 1195 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,1,0,0,0,0|1,0,2]=4 1196 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [0,1,0,0,0,0|1,0,2]=4 1197 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [0,1,0,0,0,0|1,0,2]=4 1198 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [0,1,0,0,0,0|1,0,2]=4 1199 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [0,1,0,0,0,0|1,0,2]=4 1200 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [0,1,0,0,0,0|1,0,2]=4 1201 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,1,0,0,0,0|1,0,2]=4 1202 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,1,0,0,0,0|1,0,2]=4 1203 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,1,0,0,0,0|1,0,2]=4 1204 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,1,0,0,0,0|1,0,2]=4 1205 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,1,0,0,0,0|1,0,2]=4 1206 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,1,0,0,0,0|1,0,2]=4 1207 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,1,0,0,0,0|1,0,2]=4 1208 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,1,0,0,0,0|1,0,2]=4 1209 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,1,0,0,0,0|1,0,2]=4 1210 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [0,1,0,0,0,0|1,0,2]=4 1211 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [0,1,0,0,0,0|1,0,2]=4 1212 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,1,0,0,0,0|1,0,2]=4 1213 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [0,1,0,0,0,0|1,0,2]=4 1214 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [0,1,0,0,0,0|1,0,2]=4 1215 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,1,0,0,0,0|1,0,2]=4 1216 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,1,0,0,0,0|1,0,2]=4 1217 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,1,0,0,0,0|1,0,2]=4 1218 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,1,0,0,0,0|1,0,2]=4 1219 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,1,0,0,0,0|1,0,2]=4 1220 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,1,0,0,0,0|1,0,2]=4 1221 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,1,0,0,0,0|1,0,2]=4 1222 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,1,0,0,0,0|1,0,2]=4 1223 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [0,1,0,0,0,0|1,0,2]=4 1224 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [0,1,0,0,0,0|1,0,2]=4 1225 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [0,1,0,0,0,0|1,0,1]=3 1226 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,1,0,0,0,0|2,0,1]=4 1227 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,1,0,0,0,0|2,0,1]=4 1228 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,1,0,0,0,0|1,0,1]=3 1229 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [0,1,0,0,0,0|1,0,1]=3 1230 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [0,1,0,0,0,0|1,0,1]=3 1231 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [0,1,0,0,0,0|2,0,1]=4 1232 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [0,1,0,0,0,0|2,0,1]=4 1233 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,1,0,0,0,0|2,0,1]=4 1234 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,1,0,0,0,0|2,0,1]=4 1235 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,1,0,0,0,0|2,0,1]=4 1236 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,1,0,0,0,0|2,0,1]=4 1237 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,1,0,0,0,0|2,0,1]=4 1238 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,1,0,0,0,0|2,0,1]=4 1239 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [0,1,0,0,0,0|2,0,1]=4 1240 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [0,1,0,0,0,0|2,0,1]=4 1241 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [0,1,0,0,0,0|2,0,1]=4 1242 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [0,1,0,0,0,0|2,0,1]=4 1243 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [0,1,0,0,0,0|2,0,1]=4 1244 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,1,0,0,0,0|2,0,1]=4 1245 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [0,1,0,0,0,0|2,0,1]=4 1246 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [0,1,0,0,0,0|2,0,1]=4 1247 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [0,1,0,0,0,0|2,0,1]=4 1248 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [0,1,0,0,0,0|2,0,1]=4 1249 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [0,1,0,0,0,0|2,0,1]=4 1250 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [0,1,0,0,0,0|2,0,1]=4 1251 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [0,1,0,0,0,0|2,0,1]=4 1252 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [0,1,0,0,0,0|2,0,1]=4 1253 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,1,0,0,0,0|1,0,1]=3 1254 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,1,0,0,0,0|1,0,1]=3 1255 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,1,0,0,0,0|2,0,1]=4 1256 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,1,0,0,0,0|2,0,1]=4 1257 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,1,0,0,0,0|2,0,1]=4 1258 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,1,0,0,0,0|2,0,1]=4 1259 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [0,1,0,0,0,0|2,0,1]=4 1260 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [0,1,0,0,0,0|2,0,1]=4 1261 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [0,1,0,0,0,0|2,0,1]=4 1262 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [0,1,0,0,0,0|2,0,1]=4 1263 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [0,1,0,0,0,0|2,0,1]=4 1264 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [0,1,0,0,0,0|2,0,1]=4 1265 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [0,1,0,0,0,0|1,0,1]=3 1266 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,1,0,0,0,0|2,0,1]=4 1267 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,1,0,0,0,0|2,0,1]=4 1268 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,1,0,0,0,0|2,0,1]=4 1269 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [0,1,0,0,0,0|1,0,1]=3 1270 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [0,1,0,0,0,0|1,0,1]=3 1271 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [0,1,0,0,0,0|1,0,1]=3 1272 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [0,1,0,0,0,0|1,0,1]=3 1273 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,1,0,0,0,0|2,0,1]=4 1274 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,1,0,0,0,0|2,0,1]=4 1275 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,1,0,0,0,0|2,0,1]=4 1276 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,1,0,0,0,0|2,0,1]=4 1277 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [0,1,0,0,0,0|2,0,1]=4 1278 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [0,1,0,0,0,0|2,0,1]=4 1279 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [0,1,0,0,0,0|2,0,1]=4 1280 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [0,1,0,0,0,0|2,0,1]=4 1281 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [0,1,0,0,0,0|2,0,1]=4 1282 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,1,0,0,0,0|2,0,1]=4 1283 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [0,1,0,0,0,0|2,0,1]=4 1284 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [0,1,0,0,0,0|2,0,1]=4 1285 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [0,1,0,0,0,0|2,0,1]=4 1286 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [0,1,0,0,0,0|2,0,1]=4 1287 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [0,1,0,0,0,0|2,0,1]=4 1288 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [0,1,0,0,0,0|2,0,1]=4 1289 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [0,1,0,0,0,0|2,0,1]=4 1290 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [0,1,0,0,0,0|2,0,1]=4 1291 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [0,1,0,0,0,0|2,0,1]=4 1292 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,1,0,0,0,0|2,0,1]=4 1293 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,1,0,0,0,0|2,0,1]=4 1294 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,1,0,0,0,0|2,0,1]=4 1295 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,1,0,0,0,0|2,0,1]=4 1296 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [0,1,0,0,0,0|2,0,1]=4 1297 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [0,1,0,0,0,0|2,0,1]=4 1298 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [0,1,0,0,0,0|2,0,1]=4 1299 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [0,1,0,0,0,0|2,0,1]=4 1300 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,1,0,0,0,0|2,0,1]=4 1301 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,1,0,0,0,0|2,0,1]=4 1302 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [0,1,0,0,0,0|2,0,1]=4 1303 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [0,1,0,0,0,0|2,0,1]=4 1304 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,1,0,0,0,0|2,0,1]=4 1305 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,1,0,0,0,0|2,0,1]=4 1306 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [0,1,0,0,0,0|2,0,1]=4 1307 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [0,1,0,0,0,0|2,0,1]=4 1308 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [0,1,0,0,0,0|1,0,1]=3 1309 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [0,1,0,0,0,0|1,0,1]=3 1310 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,1,0,0,0,0|2,0,1]=4 1311 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,1,0,0,0,0|2,0,1]=4 1312 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,1,0,0,0,0|2,0,1]=4 1313 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,1,0,0,0,0|2,0,1]=4 1314 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [0,1,0,0,0,0|2,0,1]=4 1315 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [0,1,0,0,0,0|2,0,1]=4 1316 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [0,1,0,0,0,0|2,0,1]=4 1317 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [0,1,0,0,0,0|2,0,1]=4 1318 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,1,0,0,0,0|2,0,1]=4 1319 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,1,0,0,0,0|2,0,1]=4 1320 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,1,0,0,0,0|2,0,1]=4 1321 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [0,1,0,0,0,0|2,0,1]=4 1322 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [0,1,0,0,0,0|2,0,1]=4 1323 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [0,1,0,0,0,0|2,0,1]=4 1324 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [0,1,0,0,0,0|2,0,1]=4 1325 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,1,0,0,0,0|2,0,1]=4 1326 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,1,0,0,0,0|2,0,1]=4 1327 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [0,1,0,0,0,0|2,0,1]=4 1328 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [0,1,0,0,0,0|2,0,1]=4 1329 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,1,0,0,0,0|1,0,2]=4 1330 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,1,0,0,0,0|2,0,1]=4 1331 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,1,0,0,0,0|2,0,1]=4 1332 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [0,1,0,0,0,0|2,0,1]=4 1333 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [0,1,0,0,0,0|2,0,1]=4 1334 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [0,1,0,0,0,0|2,0,1]=4 1335 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [0,1,0,0,0,0|2,0,1]=4 1336 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100000139335_100009817552 [0,1,0,0,0,0|1,0,1]=3 1337 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100009817552_100000139335 [0,1,0,0,0,0|1,0,1]=3 1338 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [0,1,0,0,0,0|2,0,1]=4 1339 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [0,1,0,0,0,0|2,0,1]=4 1340 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [0,1,0,0,0,0|2,0,1]=4 1341 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [0,1,0,0,0,0|2,0,1]=4 1342 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [0,1,0,0,0,0|2,0,1]=4 1343 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [0,1,0,0,0,0|2,0,1]=4 1344 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [0,1,0,0,0,0|2,0,1]=4 1345 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [0,1,0,0,0,0|2,0,1]=4 1346 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [0,1,0,0,0,0|2,0,1]=4 1347 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [0,1,0,0,0,0|2,0,1]=4 1348 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [0,1,0,0,0,0|2,0,1]=4 1349 B10R0.4 O=CCCCCSCC(F)F 62a_100000139335_100011934356 [0,1,0,0,0,0|2,0,1]=4 1350 B10R0.4 O=CCCCCSCC(F)F 62a_100011934356_100000139335 [0,1,0,0,0,0|2,0,1]=4 1351 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,1,0,0,0,0|1,0,2]=4 1352 B10R0.71 C#CCCCNC/C=C\CC 34a_100000718082_100103147603 [0,1,0,0,0,0|1,0,1]=3 1353 B10R0.71 C#CCCCOC/C=C\CC 34a_100000215630_100103147603 [0,1,0,0,0,0|1,0,1]=3 1354 B10R0.71 C#CCCCOC/C=C\CC 34a_100016268518_100000695029 [0,1,0,0,0,0|1,0,1]=3 1355 B10R0.71 C#CCCCOC/C=C\CC 7a_100000215630_100103147603 [0,1,0,0,0,0|1,0,1]=3 1356 B10R0.71 C#CCCCSC/C=C\CC 62a_100011215417_100103147603 [0,1,0,0,0,0|1,0,1]=3 1357 B10R0.71 C#CCCCSC/C=C\CC 62a_100103147603_100011215417 [0,1,0,0,0,0|1,0,1]=3 1358 B10R0.71 C#CCCNCC/C=C\CC 34a_100000755551_100015370543 [0,1,0,0,0,0|1,0,1]=3 1359 B10R0.71 C#CCCOC/C=C/CCC 34a_100016278788_100000688953 [0,1,0,0,0,0|2,0,1]=4 1360 B10R0.71 C#CCCOC/C=C/CCC 7a_100016278788_100000688953 [0,1,0,0,0,0|2,0,1]=4 1361 B10R0.71 C#CCCOCC/C=C\CC 34a_100011215631_100015370543 [0,1,0,0,0,0|1,0,1]=3 1362 B10R0.71 C#CCCOCC/C=C\CC 34a_100016288707_100000688953 [0,1,0,0,0,0|1,0,1]=3 1363 B10R0.71 C#CCCOCC/C=C\CC 7a_100016288707_100000688953 [0,1,0,0,0,0|1,0,1]=3 1364 B10R0.71 C#CCCSCC/C=C\CC 62a_100000688953_100015370543 [0,1,0,0,0,0|1,0,1]=3 1365 B10R0.71 C#CCCSCC/C=C\CC 62a_100015370543_100000688953 [0,1,0,0,0,0|1,0,1]=3 1366 B10R0.71 C#CCCSCCCCC=O 62a_100000139335_100000688953 [0,1,0,0,0,0|1,0,2]=4 1367 B10R0.71 C#CCCSCCCCC=O 62a_100000688953_100000139335 [0,1,0,0,0,0|1,0,2]=4 1368 B10R0.71 C#CCOCCC/C=C/CC 34a_100016287902_100000184674 [0,1,0,0,0,0|1,0,1]=3 1369 B10R0.71 C#CCOCCC/C=C/CC 7a_100016287902_100000038162 [0,1,0,0,0,0|1,0,1]=3 1370 B10R0.71 C#CCSCCCCCC=O 62a_100000038162_100000139337 [0,1,0,0,0,0|1,0,2]=4 1371 B10R0.71 C/C=C/CCOC/C=C\CC 34a_100016278192_100103147603 [0,1,0,0,0,0|1,0,1]=3 1372 B10R0.71 C/C=C/COC/C=C/CCC 34a_100016278788_100102629194 [0,1,0,0,0,0|2,0,1]=4 1373 B10R0.71 C/C=C/COC/C=C/CCC 7a_100016278788_100102629194 [0,1,0,0,0,0|2,0,1]=4 1374 B10R0.71 C/C=C/COCC/C=C\CC 34a_100016270725_100015370543 [0,1,0,0,0,0|1,0,1]=3 1375 B10R0.71 C/C=C/COCC/C=C\CC 34a_100016288707_100102629194 [0,1,0,0,0,0|1,0,1]=3 1376 B10R0.71 C/C=C/COCC/C=C\CC 7a_100016288707_100102629194 [0,1,0,0,0,0|1,0,1]=3 1377 B10R0.71 C/C=C/CSCC/C=C\CC 62a_100015370543_100102629194 [0,1,0,0,0,0|1,0,1]=3 1378 B10R0.71 C/C=C/CSCC/C=C\CC 62a_100102629194_100015370543 [0,1,0,0,0,0|1,0,1]=3 1379 B10R0.71 C/C=C/CSCCCCC=O 62a_100000139335_100102629194 [0,1,0,0,0,0|0,0,2]=3 1380 B10R0.71 C/C=C/CSCCCCC=O 62a_100102629194_100000139335 [0,1,0,0,0,0|0,0,2]=3 1381 B10R0.71 C=CCCC/C=C/COCC 34a_200016268473_100000210202 [0,1,0,0,0,0|1,0,2]=4 1382 B10R0.71 C=CCCC/C=C/COCC 7a_200016268473_100000210202 [0,1,0,0,0,0|1,0,2]=4 1383 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [0,1,0,0,0,0|1,0,2]=4 1384 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [0,1,0,0,0,0|1,0,2]=4 1385 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [0,1,0,0,0,0|1,0,2]=4 1386 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [0,1,0,0,0,0|1,0,2]=4 1387 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [0,1,0,0,0,0|1,0,2]=4 1388 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [0,1,0,0,0,0|1,0,2]=4 1389 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [0,1,0,0,0,0|1,0,2]=4 1390 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [0,1,0,0,0,0|1,0,2]=4 1391 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [0,1,0,0,0,0|1,0,2]=4 1392 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [0,1,0,0,0,0|1,0,2]=4 1393 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [0,1,0,0,0,0|1,0,2]=4 1394 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [0,1,0,0,0,0|1,0,2]=4 1395 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [0,1,0,0,0,0|1,0,2]=4 1396 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [0,1,0,0,0,0|1,0,2]=4 1397 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [0,1,0,0,0,0|1,0,2]=4 1398 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [0,1,0,0,0,0|1,0,2]=4 1399 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [0,1,0,0,0,0|1,0,2]=4 1400 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [0,1,0,0,0,0|1,0,2]=4 1401 B10R0.71 C=CCCCCCNCCF 34a_100000724931_100000700193 [0,1,0,0,0,0|2,0,1]=4 1402 B10R0.71 C=CCCCCCNCCO 2230a_100016997473_100000700193 [0,1,0,0,0,0|2,0,1]=4 1403 B10R0.71 C=CCCCCCNCCO 34a_100016990907_100000700193 [0,1,0,0,0,0|2,0,1]=4 1404 B10R0.71 C=CCCCCCOCCBr 34a_100000211926_100000700193 [0,1,0,0,0,0|2,0,1]=4 1405 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [0,1,0,0,0,0|1,0,2]=4 1406 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [0,1,0,0,0,0|1,0,2]=4 1407 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [0,1,0,0,0,0|1,0,2]=4 1408 B10R0.71 C=CCCCCCOCCF 34a_100011216702_100011217306 [0,1,0,0,0,0|2,0,1]=4 1409 B10R0.71 C=CCCCCCOCCF 7a_100011216702_100011217306 [0,1,0,0,0,0|2,0,1]=4 1410 B10R0.71 C=CCCCCCOCCN 34a_100000210304_100000700193 [0,1,0,0,0,0|2,0,1]=4 1411 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [0,1,0,0,0,0|2,0,1]=4 1412 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [0,1,0,0,0,0|2,0,1]=4 1413 B10R0.71 C=CCCCCCOCSC 34a_100011216702_100011218213 [0,1,0,0,0,0|2,0,1]=4 1414 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [0,1,0,0,0,0|1,0,2]=4 1415 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [0,1,0,0,0,0|1,0,2]=4 1416 B10R0.71 C=CCCCCCSCCF 62a_100000700193_100011217306 [0,1,0,0,0,0|2,0,1]=4 1417 B10R0.71 C=CCCCCCSCCF 62a_100011217306_100000700193 [0,1,0,0,0,0|2,0,1]=4 1418 B10R0.71 C=CCCCCCSCCO 62a_100000211926_100000700193 [0,1,0,0,0,0|2,0,1]=4 1419 B10R0.71 C=CCCCCCSCCO 62a_100000700193_100000211926 [0,1,0,0,0,0|2,0,1]=4 1420 B10R0.71 C=CCCCCCSCOC 62a_100000700193_100000766300 [0,1,0,0,0,0|2,0,1]=4 1421 B10R0.71 C=CCCCCCSCOC 62a_100000766300_100000700193 [0,1,0,0,0,0|2,0,1]=4 1422 B10R0.71 C=CCCCCCSCSC 62a_100000700193_100011218213 [0,1,0,0,0,0|2,0,1]=4 1423 B10R0.71 C=CCCCCCSCSC 62a_100011218213_100000700193 [0,1,0,0,0,0|2,0,1]=4 1424 B10R0.71 C=CCCCCNC/C=C/C 34a_100000703577_100102629194 [0,1,0,0,0,0|1,0,2]=4 1425 B10R0.71 C=CCCCCNCC=CC 2230a_100000703577_100000070051 [0,1,0,0,0,0|1,0,2]=4 1426 B10R0.71 C=CCCCCNCC=CC 34a_100000703577_100000070051 [0,1,0,0,0,0|1,0,2]=4 1427 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [0,1,0,0,0,0|1,0,2]=4 1428 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [0,1,0,0,0,0|1,0,2]=4 1429 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [0,1,0,0,0,0|1,0,2]=4 1430 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [0,1,0,0,0,0|1,0,2]=4 1431 B10R0.71 C=CCCCCNCCCF 2230a_100000703577_100011934791 [0,1,0,0,0,0|2,0,1]=4 1432 B10R0.71 C=CCCCCNCCCF 2230a_100015189416_100011215482 [0,1,0,0,0,0|2,0,1]=4 1433 B10R0.71 C=CCCCCNCCCF 34a_100000703577_100011934791 [0,1,0,0,0,0|2,0,1]=4 1434 B10R0.71 C=CCCCCNCCCF 34a_100015189416_100011215482 [0,1,0,0,0,0|2,0,1]=4 1435 B10R0.71 C=CCCCCNCCCO 2230a_100000703577_100000230001 [0,1,0,0,0,0|2,0,1]=4 1436 B10R0.71 C=CCCCCNCCCO 34a_100000703577_100000230001 [0,1,0,0,0,0|2,0,1]=4 1437 B10R0.71 C=CCCCCNCCOC 2230a_100000209980_100011215482 [0,1,0,0,0,0|2,0,1]=4 1438 B10R0.71 C=CCCCCNCCOC 2230a_100000703577_100011201679 [0,1,0,0,0,0|2,0,1]=4 1439 B10R0.71 C=CCCCCNCCOC 34a_100000703577_100011201679 [0,1,0,0,0,0|2,0,1]=4 1440 B10R0.71 C=CCCCCNCCSC 2230a_100000703577_100000751147 [0,1,0,0,0,0|2,0,1]=4 1441 B10R0.71 C=CCCCCNCCSC 2230a_100020590264_100011215482 [0,1,0,0,0,0|2,0,1]=4 1442 B10R0.71 C=CCCCCNCCSC 34a_100000703577_100000212216 [0,1,0,0,0,0|2,0,1]=4 1443 B10R0.71 C=CCCCCOC/C=C/C 34a_100000766645_100102629194 [0,1,0,0,0,0|1,0,2]=4 1444 B10R0.71 C=CCCCCOC/C=C/C 34a_100016270725_100011215482 [0,1,0,0,0,0|1,0,2]=4 1445 B10R0.71 C=CCCCCOC/C=C/C 7a_100000766645_100102629194 [0,1,0,0,0,0|1,0,2]=4 1446 B10R0.71 C=CCCCCOCC=CC 34a_100000766645_100000070051 [0,1,0,0,0,0|1,0,2]=4 1447 B10R0.71 C=CCCCCOCC=CC 7a_100000766645_100000070051 [0,1,0,0,0,0|1,0,2]=4 1448 B10R0.71 C=CCCCCOCCCBr 34a_100011217188_100011215482 [0,1,0,0,0,0|2,0,1]=4 1449 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [0,1,0,0,0,0|1,0,2]=4 1450 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [0,1,0,0,0,0|1,0,2]=4 1451 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [0,1,0,0,0,0|1,0,2]=4 1452 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [0,1,0,0,0,0|1,0,2]=4 1453 B10R0.71 C=CCCCCOCCCCl 34a_100000230001_100011215482 [0,1,0,0,0,0|2,0,1]=4 1454 B10R0.71 C=CCCCCOCCCF 34a_100000759539_100011215482 [0,1,0,0,0,0|2,0,1]=4 1455 B10R0.71 C=CCCCCOCCCF 34a_100000766645_100011934791 [0,1,0,0,0,0|2,0,1]=4 1456 B10R0.71 C=CCCCCOCCCF 7a_100000766645_100011934791 [0,1,0,0,0,0|2,0,1]=4 1457 B10R0.71 C=CCCCCOCCCN 34a_100000182051_100011215482 [0,1,0,0,0,0|2,0,1]=4 1458 B10R0.71 C=CCCCCOCCCO 34a_100000766645_100000230001 [0,1,0,0,0,0|2,0,1]=4 1459 B10R0.71 C=CCCCCOCCCO 7a_100000766645_100011215043 [0,1,0,0,0,0|2,0,1]=4 1460 B10R0.71 C=CCCCCOCCOC 34a_100000210237_100011215482 [0,1,0,0,0,0|2,0,1]=4 1461 B10R0.71 C=CCCCCOCCOC 34a_100000766645_100011201679 [0,1,0,0,0,0|2,0,1]=4 1462 B10R0.71 C=CCCCCOCCOC 7a_100000766645_100000233755 [0,1,0,0,0,0|2,0,1]=4 1463 B10R0.71 C=CCCCCOCCSC 34a_100000230434_100011215482 [0,1,0,0,0,0|2,0,1]=4 1464 B10R0.71 C=CCCCCOCCSC 34a_100000766645_100000212216 [0,1,0,0,0,0|2,0,1]=4 1465 B10R0.71 C=CCCCCOCCSC 7a_100000230434_100011215482 [0,1,0,0,0,0|2,0,1]=4 1466 B10R0.71 C=CCCCCOCCSC 7a_100000766645_100000212216 [0,1,0,0,0,0|2,0,1]=4 1467 B10R0.71 C=CCCCCSC/C=C/C 62a_100011215482_100102629194 [0,1,0,0,0,0|1,0,2]=4 1468 B10R0.71 C=CCCCCSC/C=C/C 62a_100102629194_100011215482 [0,1,0,0,0,0|1,0,2]=4 1469 B10R0.71 C=CCCCCSCC=CC 62a_100000070051_100011215482 [0,1,0,0,0,0|1,0,2]=4 1470 B10R0.71 C=CCCCCSCC=CC 62a_100011215482_100000070051 [0,1,0,0,0,0|1,0,2]=4 1471 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [0,1,0,0,0,0|1,0,2]=4 1472 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [0,1,0,0,0,0|1,0,2]=4 1473 B10R0.71 C=CCCCCSCCCF 62a_100011215482_100011934791 [0,1,0,0,0,0|2,0,1]=4 1474 B10R0.71 C=CCCCCSCCCF 62a_100011934791_100011215482 [0,1,0,0,0,0|2,0,1]=4 1475 B10R0.71 C=CCCCCSCCCO 62a_100011215043_100011215482 [0,1,0,0,0,0|2,0,1]=4 1476 B10R0.71 C=CCCCCSCCCO 62a_100011215482_100011215043 [0,1,0,0,0,0|2,0,1]=4 1477 B10R0.71 C=CCCCCSCCOC 62a_100000233755_100011215482 [0,1,0,0,0,0|2,0,1]=4 1478 B10R0.71 C=CCCCCSCCOC 62a_100011215482_100000233755 [0,1,0,0,0,0|2,0,1]=4 1479 B10R0.71 C=CCCCCSCCSC 62a_100000212216_100011215482 [0,1,0,0,0,0|2,0,1]=4 1480 B10R0.71 C=CCCCCSCCSC 62a_100011215482_100000751147 [0,1,0,0,0,0|2,0,1]=4 1481 B10R0.71 C=CCCCCSCOCC 62a_100000739092_100011215482 [0,1,0,0,0,0|2,0,1]=4 1482 B10R0.71 C=CCCCCSCOCC 62a_100011215482_100000739092 [0,1,0,0,0,0|2,0,1]=4 1483 B10R0.71 C=CCCCNC/C=C\CC 2230a_100000700776_100103147603 [0,1,0,0,0,0|1,0,0]=2 1484 B10R0.71 C=CCCCNC/C=C\CC 34a_100000700776_100103147603 [0,1,0,0,0,0|1,0,0]=2 1485 B10R0.71 C=CCCCNCC#CCC 2230a_100000700776_100009813939 [0,1,0,0,0,0|1,0,2]=4 1486 B10R0.71 C=CCCCNCC#CCC 34a_100000700776_100009813939 [0,1,0,0,0,0|1,0,2]=4 1487 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [0,1,0,0,0,0|1,0,2]=4 1488 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [0,1,0,0,0,0|1,0,2]=4 1489 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [0,1,0,0,0,0|1,0,2]=4 1490 B10R0.71 C=CCCCNCCOCC 2230a_100000700776_100011215890 [0,1,0,0,0,0|2,0,1]=4 1491 B10R0.71 C=CCCCNCCOCC 2230a_102516460346_100011713584 [0,1,0,0,0,0|2,0,1]=4 1492 B10R0.71 C=CCCCNCCOCC 34a_100000700776_100000210147 [0,1,0,0,0,0|2,0,1]=4 1493 B10R0.71 C=CCCCNCCOCC 34a_102516460346_100000757094 [0,1,0,0,0,0|2,0,1]=4 1494 B10R0.71 C=CCCCNCCSCC 2230a_100000106463_100011713584 [0,1,0,0,0,0|2,0,1]=4 1495 B10R0.71 C=CCCCNCCSCC 2230a_100000700776_100000757381 [0,1,0,0,0,0|2,0,1]=4 1496 B10R0.71 C=CCCCNCCSCC 34a_100000700776_100000757381 [0,1,0,0,0,0|2,0,1]=4 1497 B10R0.71 C=CCCCOC/C=C\CC 34a_100000758997_100103147603 [0,1,0,0,0,0|1,0,0]=2 1498 B10R0.71 C=CCCCOC/C=C\CC 34a_100016268518_100000757094 [0,1,0,0,0,0|1,0,0]=2 1499 B10R0.71 C=CCCCOC/C=C\CC 7a_100000758997_100103147603 [0,1,0,0,0,0|1,0,0]=2 1500 B10R0.71 C=CCCCOCC#CCC 34a_100000032950_100000757094 [0,1,0,0,0,0|1,0,2]=4 1501 B10R0.71 C=CCCCOCC#CCC 34a_100000758997_100009813939 [0,1,0,0,0,0|1,0,2]=4 1502 B10R0.71 C=CCCCOCC#CCC 7a_100000758997_100009813939 [0,1,0,0,0,0|1,0,2]=4 1503 B10R0.71 C=CCCCOCC/C=C/C 34a_100016278192_100000757094 [0,1,0,0,0,0|1,0,2]=4 1504 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [0,1,0,0,0,0|1,0,2]=4 1505 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [0,1,0,0,0,0|1,0,2]=4 1506 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [0,1,0,0,0,0|1,0,2]=4 1507 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [0,1,0,0,0,0|1,0,2]=4 1508 B10R0.71 C=CCCCOCCOCC 34a_100000210136_100000757094 [0,1,0,0,0,0|2,0,1]=4 1509 B10R0.71 C=CCCCOCCOCC 34a_100000758997_100000210147 [0,1,0,0,0,0|2,0,1]=4 1510 B10R0.71 C=CCCCOCCOCC 7a_100000210136_100000757094 [0,1,0,0,0,0|2,0,1]=4 1511 B10R0.71 C=CCCCOCCOCC 7a_100000758997_100011215890 [0,1,0,0,0,0|2,0,1]=4 1512 B10R0.71 C=CCCCOCCSCC 34a_100000212035_100000757094 [0,1,0,0,0,0|2,0,1]=4 1513 B10R0.71 C=CCCCOCCSCC 34a_100000758997_100000757381 [0,1,0,0,0,0|2,0,1]=4 1514 B10R0.71 C=CCCCOCCSCC 7a_100000212035_100000757094 [0,1,0,0,0,0|2,0,1]=4 1515 B10R0.71 C=CCCCOCCSCC 7a_100000758997_100000757381 [0,1,0,0,0,0|2,0,1]=4 1516 B10R0.71 C=CCCCSC/C=C\CC 62a_100011713584_100103147603 [0,1,0,0,0,0|1,0,0]=2 1517 B10R0.71 C=CCCCSC/C=C\CC 62a_100103147603_100000757094 [0,1,0,0,0,0|1,0,0]=2 1518 B10R0.71 C=CCCCSCC#CCC 62a_100009813939_100000757094 [0,1,0,0,0,0|1,0,2]=4 1519 B10R0.71 C=CCCCSCC#CCC 62a_100011713584_100009813939 [0,1,0,0,0,0|1,0,2]=4 1520 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [0,1,0,0,0,0|1,0,2]=4 1521 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [0,1,0,0,0,0|1,0,2]=4 1522 B10R0.71 C=CCCCSCCOCC 62a_100000210147_100000757094 [0,1,0,0,0,0|2,0,1]=4 1523 B10R0.71 C=CCCCSCCOCC 62a_100011713584_100011215890 [0,1,0,0,0,0|2,0,1]=4 1524 B10R0.71 C=CCCCSCCSCC 62a_100000757381_100000757094 [0,1,0,0,0,0|2,0,1]=4 1525 B10R0.71 C=CCCCSCCSCC 62a_100011713584_100000757381 [0,1,0,0,0,0|2,0,1]=4 1526 B10R0.71 C=CCCNCC/C=C\CC 2230a_100015191253_100015370543 [0,1,0,0,0,0|1,0,0]=2 1527 B10R0.71 C=CCCNCCCCC=O 2230a_100015191253_100000139335 [0,1,0,0,0,0|1,0,2]=4 1528 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [0,1,0,0,0,0|1,0,2]=4 1529 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [0,1,0,0,0,0|1,0,2]=4 1530 B10R0.71 C=CCCNCCCOCC 2230a_100000210961_100000754431 [0,1,0,0,0,0|2,0,1]=4 1531 B10R0.71 C=CCCNCCCOCC 2230a_100015191253_100012232248 [0,1,0,0,0,0|2,0,1]=4 1532 B10R0.71 C=CCCNCCCOCC 34a_100000210961_100000754431 [0,1,0,0,0,0|2,0,1]=4 1533 B10R0.71 C=CCCNCCOCCC 2230a_100015191253_100011215938 [0,1,0,0,0,0|2,0,1]=4 1534 B10R0.71 C=CCCNCCOCCC 2230a_100161115042_100000754431 [0,1,0,0,0,0|2,0,1]=4 1535 B10R0.71 C=CCCNCCOCCC 34a_100161115042_100000754431 [0,1,0,0,0,0|2,0,1]=4 1536 B10R0.71 C=CCCNCCSCCC 2230a_100020603323_100000754431 [0,1,0,0,0,0|2,0,1]=4 1537 B10R0.71 C=CCCOC/C=C/C=C/C 34a_100016283227_100000754431 [0,1,0,0,0,0|1,0,2]=4 1538 B10R0.71 C=CCCOC/C=C/CCC 34a_100016278788_100000754431 [0,1,0,0,0,0|2,0,0]=3 1539 B10R0.71 C=CCCOC/C=C/CCC 7a_100016278788_100000754431 [0,1,0,0,0,0|2,0,0]=3 1540 B10R0.71 C=CCCOCC/C=C\CC 34a_100011205117_100015370543 [0,1,0,0,0,0|1,0,0]=2 1541 B10R0.71 C=CCCOCC/C=C\CC 34a_100016288707_100000754431 [0,1,0,0,0,0|1,0,0]=2 1542 B10R0.71 C=CCCOCC/C=C\CC 7a_100016288707_100000754431 [0,1,0,0,0,0|1,0,0]=2 1543 B10R0.71 C=CCCOCCC#CCC 34a_100000036655_100000754431 [0,1,0,0,0,0|1,0,2]=4 1544 B10R0.71 C=CCCOCCC#CCC 7a_100000036655_100000754431 [0,1,0,0,0,0|1,0,2]=4 1545 B10R0.71 C=CCCOCCC=C=CC 34a_100011020354_100000754431 [0,1,0,0,0,0|1,0,2]=4 1546 B10R0.71 C=CCCOCCCC=CC 34a_100020645299_100000754431 [0,1,0,0,0,0|1,0,2]=4 1547 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [0,1,0,0,0,0|1,0,2]=4 1548 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [0,1,0,0,0,0|1,0,2]=4 1549 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [0,1,0,0,0,0|1,0,2]=4 1550 B10R0.71 C=CCCOCCCOCC 34a_100000757476_100000754431 [0,1,0,0,0,0|2,0,1]=4 1551 B10R0.71 C=CCCOCCCOCC 34a_100011205117_100012232248 [0,1,0,0,0,0|2,0,1]=4 1552 B10R0.71 C=CCCOCCCOCC 7a_100000757476_100000754431 [0,1,0,0,0,0|2,0,1]=4 1553 B10R0.71 C=CCCOCCCSCC 34a_100011216438_100000754431 [0,1,0,0,0,0|2,0,1]=4 1554 B10R0.71 C=CCCOCCCSCC 7a_100011216438_100000754431 [0,1,0,0,0,0|2,0,1]=4 1555 B10R0.71 C=CCCOCCOCCC 34a_100000752267_100000754431 [0,1,0,0,0,0|2,0,1]=4 1556 B10R0.71 C=CCCOCCOCCC 34a_100011205117_100011215938 [0,1,0,0,0,0|2,0,1]=4 1557 B10R0.71 C=CCCOCCOCCC 7a_100000752267_100000754431 [0,1,0,0,0,0|2,0,1]=4 1558 B10R0.71 C=CCCOCCSCCC 34a_200000230433_100000754431 [0,1,0,0,0,0|2,0,1]=4 1559 B10R0.71 C=CCCOCCSCCC 7a_200000230433_100000754431 [0,1,0,0,0,0|2,0,1]=4 1560 B10R0.71 C=CCCSCC/C=C\CC 62a_100000754431_100015370543 [0,1,0,0,0,0|1,0,0]=2 1561 B10R0.71 C=CCCSCC/C=C\CC 62a_100015370543_100000754431 [0,1,0,0,0,0|1,0,0]=2 1562 B10R0.71 C=CCCSCCCCC=O 62a_100000139335_100000754431 [0,1,0,0,0,0|1,0,2]=4 1563 B10R0.71 C=CCCSCCCCC=O 62a_100000754431_100000139335 [0,1,0,0,0,0|1,0,2]=4 1564 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [0,1,0,0,0,0|1,0,2]=4 1565 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [0,1,0,0,0,0|1,0,2]=4 1566 B10R0.71 C=CCCSCCCOCC 62a_100000754431_100012232248 [0,1,0,0,0,0|2,0,1]=4 1567 B10R0.71 C=CCCSCCCOCC 62a_100012232248_100000754431 [0,1,0,0,0,0|2,0,1]=4 1568 B10R0.71 C=CCCSCCOCCC 62a_100000754431_100011215938 [0,1,0,0,0,0|2,0,1]=4 1569 B10R0.71 C=CCCSCCOCCC 62a_100011215938_100000754431 [0,1,0,0,0,0|2,0,1]=4 1570 B10R0.71 C=CCNCCCCCC=O 2230a_100020586998_100000139337 [0,1,0,0,0,0|1,0,2]=4 1571 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [0,1,0,0,0,0|1,0,2]=4 1572 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [0,1,0,0,0,0|1,0,2]=4 1573 B10R0.71 C=CCNCCCOCCC 2230a_100011217757_100000210623 [0,1,0,0,0,0|2,0,1]=4 1574 B10R0.71 C=CCNCCCOCCC 34a_100011217757_100015514636 [0,1,0,0,0,0|2,0,1]=4 1575 B10R0.71 C=CCOCCC/C=C/CC 34a_100016287902_100015514636 [0,1,0,0,0,0|1,0,0]=2 1576 B10R0.71 C=CCOCCC/C=C/CC 7a_100016287902_100015514636 [0,1,0,0,0,0|1,0,0]=2 1577 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [0,1,0,0,0,0|1,0,2]=4 1578 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [0,1,0,0,0,0|1,0,2]=4 1579 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [0,1,0,0,0,0|1,0,2]=4 1580 B10R0.71 C=CCSCCCCCC=O 62a_100000139337_100000210623 [0,1,0,0,0,0|1,0,2]=4 1581 B10R0.71 C=CCSCCCCCC=O 62a_100000210623_100000139337 [0,1,0,0,0,0|1,0,2]=4 1582 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [0,1,0,0,0,0|1,0,2]=4 1583 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [0,1,0,0,0,0|1,0,2]=4 1584 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [0,1,0,0,0,0|2,0,1]=4 1585 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [0,1,0,0,0,0|2,0,1]=4 1586 B10R0.71 C=COCCOC/C=C\CC 34a_100000033082_100103147603 [0,1,0,0,0,0|2,0,0]=3 1587 B10R0.71 C=COCCOC/C=C\CC 34a_100016268518_100000039644 [0,1,0,0,0,0|2,0,0]=3 1588 B10R0.71 C=COCCSC/C=C\CC 62a_100000039644_100103147603 [0,1,0,0,0,0|2,0,0]=3 1589 B10R0.71 C=COCCSC/C=C\CC 62a_100103147603_100000039644 [0,1,0,0,0,0|2,0,0]=3 1590 B10R0.71 CC#CCCOC/C=C\CC 34a_100000750427_100103147603 [0,1,0,0,0,0|1,0,2]=4 1591 B10R0.71 CC#CCNCC/C=C\CC 2230a_100000685387_100015370543 [0,1,0,0,0,0|1,0,2]=4 1592 B10R0.71 CC#CCNCC/C=C\CC 34a_100000685387_100015370543 [0,1,0,0,0,0|1,0,2]=4 1593 B10R0.71 CC#CCNCCCCC=O 2230a_100000685387_100000139335 [0,1,0,0,0,0|0,0,3]=4 1594 B10R0.71 CC#CCOCC/C=C\CC 34a_100000761923_100015370543 [0,1,0,0,0,0|1,0,2]=4 1595 B10R0.71 CC#CCOCC/C=C\CC 34a_100016288707_100000748600 [0,1,0,0,0,0|1,0,2]=4 1596 B10R0.71 CC#CCOCC/C=C\CC 7a_100016288707_100000748600 [0,1,0,0,0,0|1,0,2]=4 1597 B10R0.71 CC#CCSCC/C=C\CC 62a_100000748600_100015370543 [0,1,0,0,0,0|1,0,2]=4 1598 B10R0.71 CC#CCSCC/C=C\CC 62a_100015370543_100000748600 [0,1,0,0,0,0|1,0,2]=4 1599 B10R0.71 CC#CCSCCCCC=O 62a_100000139335_100000748600 [0,1,0,0,0,0|0,0,3]=4 1600 B10R0.71 CC#CCSCCCCC=O 62a_100000748600_100000139335 [0,1,0,0,0,0|0,0,3]=4 1601 B10R0.71 CC/C=C/C/C=C/CCOC 34a_200016273837_200000210301 [0,1,0,0,0,0|2,0,1]=4 1602 B10R0.71 CC/C=C/C/C=C/CCOC 7a_200016273837_200000210301 [0,1,0,0,0,0|2,0,1]=4 1603 B10R0.71 CC/C=C/C/C=C/CCO[13CH3] 34a_200016273837_200025704644 [0,1,0,0,0,0|2,0,1]=4 1604 B10R0.71 CC/C=C/C/C=C/CCO[13CH3] 7a_200016273837_200025704644 [0,1,0,0,0,0|2,0,1]=4 1605 B10R0.71 CC/C=C/CC/C=C/COC 34a_100016264143_200000210301 [0,1,0,0,0,0|2,0,1]=4 1606 B10R0.71 CC/C=C/CC/C=C/COC 7a_100016264143_200000210301 [0,1,0,0,0,0|2,0,1]=4 1607 B10R0.71 CC/C=C/CC/C=C/CO[13CH3] 34a_100016264143_200025704644 [0,1,0,0,0,0|2,0,1]=4 1608 B10R0.71 CC/C=C/CC/C=C/CO[13CH3] 7a_100016264143_200025704644 [0,1,0,0,0,0|2,0,1]=4 1609 B10R0.71 CC/C=C/CCCOCC#N 7a_100016287902_100011215382 [0,1,0,0,0,0|1,0,1]=3 1610 B10R0.71 CC/C=C/CCCOCC=O 34a_100016287902_200009817547 [0,1,0,0,0,0|0,0,0]=1 1611 B10R0.71 CC/C=C/CCCOCC=O 7a_100016287902_200015260668 [0,1,0,0,0,0|0,0,0]=1 1612 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [0,1,0,0,0,0|1,0,1]=3 1613 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [0,1,0,0,0,0|1,0,1]=3 1614 B10R0.71 CC/C=C/CCCOCCF 34a_100016287902_100011217306 [0,1,0,0,0,0|1,0,1]=3 1615 B10R0.71 CC/C=C/CCCOCCF 7a_100016287902_100011217306 [0,1,0,0,0,0|1,0,1]=3 1616 B10R0.71 CC/C=C/CCCOCCO 34a_100016287902_100000211926 [0,1,0,0,0,0|0,0,2]=3 1617 B10R0.71 CC/C=C/CCCOCCO 7a_100016287902_100000211926 [0,1,0,0,0,0|0,0,2]=3 1618 B10R0.71 CC/C=C/CCCOCSC 34a_100016287902_100011218213 [0,1,0,0,0,0|2,0,0]=3 1619 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [0,1,0,0,0,0|1,0,1]=3 1620 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [0,1,0,0,0,0|0,0,2]=3 1621 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [0,1,0,0,0,0|0,0,2]=3 1622 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [0,1,0,0,0,0|0,0,2]=3 1623 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [0,1,0,0,0,0|0,0,2]=3 1624 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [0,1,0,0,0,0|1,0,1]=3 1625 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [0,1,0,0,0,0|1,0,1]=3 1626 B10R0.71 CC/C=C\CCCCOCF 34a_100016287862_100015361967 [0,1,0,0,0,0|1,0,1]=3 1627 B10R0.71 CC/C=C\CCCCOCF 7a_100016287862_100015361967 [0,1,0,0,0,0|1,0,1]=3 1628 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [0,1,0,0,0,0|1,0,1]=3 1629 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [0,1,0,0,0,0|1,0,1]=3 1630 B10R0.71 CC/C=C\CCNCCCF 2230a_100015189416_100015370543 [0,1,0,0,0,0|1,0,1]=3 1631 B10R0.71 CC/C=C\CCNCCCF 34a_100015189416_100015370543 [0,1,0,0,0,0|1,0,1]=3 1632 B10R0.71 CC/C=C\CCNCCOC 2230a_100000209980_100015370543 [0,1,0,0,0,0|2,0,0]=3 1633 B10R0.71 CC/C=C\CCNCCSC 2230a_100020590264_100015370543 [0,1,0,0,0,0|2,0,0]=3 1634 B10R0.71 CC/C=C\CCOCCC#N 7a_100016288707_100000184422 [0,1,0,0,0,0|1,0,1]=3 1635 B10R0.71 CC/C=C\CCOCCCBr 34a_100011217188_100015370543 [0,1,0,0,0,0|1,0,1]=3 1636 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [0,1,0,0,0,0|1,0,1]=3 1637 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [0,1,0,0,0,0|1,0,1]=3 1638 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [0,1,0,0,0,0|1,0,1]=3 1639 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [0,1,0,0,0,0|1,0,1]=3 1640 B10R0.71 CC/C=C\CCOCCCCl 34a_100000230001_100015370543 [0,1,0,0,0,0|1,0,1]=3 1641 B10R0.71 CC/C=C\CCOCCCF 34a_100000759539_100015370543 [0,1,0,0,0,0|1,0,1]=3 1642 B10R0.71 CC/C=C\CCOCCCF 34a_100016288707_100011934791 [0,1,0,0,0,0|1,0,1]=3 1643 B10R0.71 CC/C=C\CCOCCCF 7a_100016288707_100011934791 [0,1,0,0,0,0|1,0,1]=3 1644 B10R0.71 CC/C=C\CCOCCCN 34a_100000182051_100015370543 [0,1,0,0,0,0|1,0,1]=3 1645 B10R0.71 CC/C=C\CCOCCCO 34a_100016288707_100000230001 [0,1,0,0,0,0|0,0,2]=3 1646 B10R0.71 CC/C=C\CCOCCCO 7a_100016288707_100011215043 [0,1,0,0,0,0|0,0,2]=3 1647 B10R0.71 CC/C=C\CCOCCOC 34a_100000210237_100015370543 [0,1,0,0,0,0|2,0,0]=3 1648 B10R0.71 CC/C=C\CCOCCOC 34a_100016288707_100011201679 [0,1,0,0,0,0|2,0,0]=3 1649 B10R0.71 CC/C=C\CCOCCOC 7a_100016288707_100000233755 [0,1,0,0,0,0|2,0,0]=3 1650 B10R0.71 CC/C=C\CCOCCON 34a_100000700252_100015370543 [0,1,0,0,0,0|2,0,0]=3 1651 B10R0.71 CC/C=C\CCOCCSC 34a_100000230434_100015370543 [0,1,0,0,0,0|2,0,0]=3 1652 B10R0.71 CC/C=C\CCOCCSC 34a_100016288707_100000212216 [0,1,0,0,0,0|2,0,0]=3 1653 B10R0.71 CC/C=C\CCOCCSC 7a_100000230434_100015370543 [0,1,0,0,0,0|2,0,0]=3 1654 B10R0.71 CC/C=C\CCOCCSC 7a_100016288707_100000212216 [0,1,0,0,0,0|2,0,0]=3 1655 B10R0.71 CC/C=C\CCSCCC#N 62a_100011215226_100015370543 [0,1,0,0,0,0|1,0,1]=3 1656 B10R0.71 CC/C=C\CCSCCC#N 62a_100015370543_100011215226 [0,1,0,0,0,0|1,0,1]=3 1657 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [0,1,0,0,0,0|1,0,1]=3 1658 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [0,1,0,0,0,0|1,0,1]=3 1659 B10R0.71 CC/C=C\CCSCCCF 62a_100011934791_100015370543 [0,1,0,0,0,0|1,0,1]=3 1660 B10R0.71 CC/C=C\CCSCCCF 62a_100015370543_100011934791 [0,1,0,0,0,0|1,0,1]=3 1661 B10R0.71 CC/C=C\CCSCCCO 62a_100011215043_100015370543 [0,1,0,0,0,0|0,0,2]=3 1662 B10R0.71 CC/C=C\CCSCCCO 62a_100015370543_100011215043 [0,1,0,0,0,0|0,0,2]=3 1663 B10R0.71 CC/C=C\CCSCCOC 62a_100000233755_100015370543 [0,1,0,0,0,0|2,0,0]=3 1664 B10R0.71 CC/C=C\CCSCCOC 62a_100015370543_100000233755 [0,1,0,0,0,0|2,0,0]=3 1665 B10R0.71 CC/C=C\CCSCCSC 62a_100000212216_100015370543 [0,1,0,0,0,0|2,0,0]=3 1666 B10R0.71 CC/C=C\CCSCCSC 62a_100015370543_100000751147 [0,1,0,0,0,0|2,0,0]=3 1667 B10R0.71 CC/C=C\CCSCOCC 62a_100000739092_100015370543 [0,1,0,0,0,0|2,0,1]=4 1668 B10R0.71 CC/C=C\CCSCOCC 62a_100015370543_100000739092 [0,1,0,0,0,0|2,0,1]=4 1669 B10R0.71 CC/C=C\CCSCSC#N 62a_100000211825_100015370543 [0,1,0,0,0,0|2,0,1]=4 1670 B10R0.71 CC/C=C\CCSCSC#N 62a_100015370543_100000211825 [0,1,0,0,0,0|2,0,1]=4 1671 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [0,1,0,0,0,0|1,0,1]=3 1672 B10R0.71 CC/C=C\CNCCCCO 2230a_100000750430_100103147603 [0,1,0,0,0,0|0,0,2]=3 1673 B10R0.71 CC/C=C\CNCCCCO 34a_100000750430_100103147603 [0,1,0,0,0,0|0,0,2]=3 1674 B10R0.71 CC/C=C\CNCCCOC 34a_100150723488_100103147603 [0,1,0,0,0,0|2,0,0]=3 1675 B10R0.71 CC/C=C\CNCCCSC 2230a_100000749238_100103147603 [0,1,0,0,0,0|2,0,0]=3 1676 B10R0.71 CC/C=C\CNCCOCC 2230a_102516460346_100103147603 [0,1,0,0,0,0|2,0,1]=4 1677 B10R0.71 CC/C=C\CNCCOCC 34a_102516460346_100103147603 [0,1,0,0,0,0|2,0,1]=4 1678 B10R0.71 CC/C=C\CNCCSCC 2230a_100000106463_100103147603 [0,1,0,0,0,0|2,0,1]=4 1679 B10R0.71 CC/C=C\COC/C=C\CC 34a_100016268518_100103147603 [0,1,0,0,0,0|2,0,1]=4 1680 B10R0.71 CC/C=C\COCCCCBr 34a_100011216708_100103147603 [0,1,0,0,0,0|1,0,1]=3 1681 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [0,1,0,0,0,0|1,0,1]=3 1682 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [0,1,0,0,0,0|1,0,1]=3 1683 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [0,1,0,0,0,0|1,0,1]=3 1684 B10R0.71 CC/C=C\COCCCCCl 34a_100000210776_100103147603 [0,1,0,0,0,0|1,0,1]=3 1685 B10R0.71 CC/C=C\COCCCCCl 7a_100000210776_100103147603 [0,1,0,0,0,0|1,0,1]=3 1686 B10R0.71 CC/C=C\COCCCCF 34a_100011995726_100103147603 [0,1,0,0,0,0|1,0,1]=3 1687 B10R0.71 CC/C=C\COCCCCF 34a_100016268518_100000729493 [0,1,0,0,0,0|1,0,1]=3 1688 B10R0.71 CC/C=C\COCCCCF 7a_100011995726_100103147603 [0,1,0,0,0,0|1,0,1]=3 1689 B10R0.71 CC/C=C\COCCCCI 34a_200012148704_100103147603 [0,1,0,0,0,0|1,0,1]=3 1690 B10R0.71 CC/C=C\COCCCCN 34a_100000750430_100103147603 [0,1,0,0,0,0|1,0,1]=3 1691 B10R0.71 CC/C=C\COCCCCO 34a_100016268518_100011216708 [0,1,0,0,0,0|0,0,2]=3 1692 B10R0.71 CC/C=C\COCCCNC 34a_100000213112_100103147603 [0,1,0,0,0,0|2,0,0]=3 1693 B10R0.71 CC/C=C\COCCCOC 34a_100000740835_100103147603 [0,1,0,0,0,0|2,0,0]=3 1694 B10R0.71 CC/C=C\COCCCOC 34a_100016268518_100000740836 [0,1,0,0,0,0|2,0,0]=3 1695 B10R0.71 CC/C=C\COCCCSC 34a_100000690336_100103147603 [0,1,0,0,0,0|2,0,0]=3 1696 B10R0.71 CC/C=C\COCCCSC 7a_100000690336_100103147603 [0,1,0,0,0,0|2,0,0]=3 1697 B10R0.71 CC/C=C\COCCOCC 34a_100000210136_100103147603 [0,1,0,0,0,0|2,0,1]=4 1698 B10R0.71 CC/C=C\COCCOCC 34a_100016268518_100000210147 [0,1,0,0,0,0|2,0,1]=4 1699 B10R0.71 CC/C=C\COCCOCC 7a_100000210136_100103147603 [0,1,0,0,0,0|2,0,1]=4 1700 B10R0.71 CC/C=C\COCCSCC 34a_100000212035_100103147603 [0,1,0,0,0,0|2,0,1]=4 1701 B10R0.71 CC/C=C\COCCSCC 34a_100016268518_100000757381 [0,1,0,0,0,0|2,0,1]=4 1702 B10R0.71 CC/C=C\COCCSCC 7a_100000212035_100103147603 [0,1,0,0,0,0|2,0,1]=4 1703 B10R0.71 CC/C=C\CSC/C=C\CC 62a_100103147603_100103147603 [0,1,0,0,0,0|2,0,1]=4 1704 B10R0.71 CC/C=C\CSCCCC#N 62a_100000687738_100103147603 [0,1,0,0,0,0|1,0,1]=3 1705 B10R0.71 CC/C=C\CSCCCC#N 62a_100103147603_100000687738 [0,1,0,0,0,0|1,0,1]=3 1706 B10R0.71 CC/C=C\CSCCCC=O 62a_100103147603_200011292268 [0,1,0,0,0,0|0,0,0]=1 1707 B10R0.71 CC/C=C\CSCCCC=O 62a_200011292268_100103147603 [0,1,0,0,0,0|0,0,0]=1 1708 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [0,1,0,0,0,0|1,0,1]=3 1709 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [0,1,0,0,0,0|1,0,1]=3 1710 B10R0.71 CC/C=C\CSCCCCF 62a_100000729493_100103147603 [0,1,0,0,0,0|1,0,1]=3 1711 B10R0.71 CC/C=C\CSCCCCF 62a_100103147603_100000729493 [0,1,0,0,0,0|1,0,1]=3 1712 B10R0.71 CC/C=C\CSCCCCO 62a_100000210776_100103147603 [0,1,0,0,0,0|0,0,2]=3 1713 B10R0.71 CC/C=C\CSCCCCO 62a_100103147603_100000210776 [0,1,0,0,0,0|0,0,2]=3 1714 B10R0.71 CC/C=C\CSCCCOC 62a_100000709357_100103147603 [0,1,0,0,0,0|2,0,0]=3 1715 B10R0.71 CC/C=C\CSCCCOC 62a_100103147603_100000709357 [0,1,0,0,0,0|2,0,0]=3 1716 B10R0.71 CC/C=C\CSCCOCC 62a_100000210147_100103147603 [0,1,0,0,0,0|2,0,1]=4 1717 B10R0.71 CC/C=C\CSCCOCC 62a_100103147603_100011215890 [0,1,0,0,0,0|2,0,1]=4 1718 B10R0.71 CC/C=C\CSCCSC#N 62a_100000034367_100103147603 [0,1,0,0,0,0|2,0,1]=4 1719 B10R0.71 CC/C=C\CSCCSC#N 62a_100103147603_100000034367 [0,1,0,0,0,0|2,0,1]=4 1720 B10R0.71 CC/C=C\CSCCSCC 62a_100000757381_100103147603 [0,1,0,0,0,0|2,0,1]=4 1721 B10R0.71 CC/C=C\CSCCSCC 62a_100103147603_100000757381 [0,1,0,0,0,0|2,0,1]=4 1722 B10R0.71 CC=CCOC/C=C/CCC 34a_100016278788_100000070051 [0,1,0,0,0,0|2,0,1]=4 1723 B10R0.71 CC=CCOC/C=C/CCC 7a_100016278788_100000070051 [0,1,0,0,0,0|2,0,1]=4 1724 B10R0.71 CC=CCOCC/C=C\CC 34a_100016288707_100000070051 [0,1,0,0,0,0|1,0,1]=3 1725 B10R0.71 CC=CCOCC/C=C\CC 7a_100016288707_100000070051 [0,1,0,0,0,0|1,0,1]=3 1726 B10R0.71 CC=CCSCC/C=C\CC 62a_100000070051_100015370543 [0,1,0,0,0,0|1,0,1]=3 1727 B10R0.71 CC=CCSCC/C=C\CC 62a_100015370543_100000070051 [0,1,0,0,0,0|1,0,1]=3 1728 B10R0.71 CC=CCSCCCCC=O 62a_100000070051_100000139335 [0,1,0,0,0,0|0,0,2]=3 1729 B10R0.71 CC=CCSCCCCC=O 62a_100000139335_100000070051 [0,1,0,0,0,0|0,0,2]=3 1730 B10R0.71 CCC#CCSCCCC=O 62a_100009813939_200011292268 [0,1,0,0,0,0|0,0,2]=3 1731 B10R0.71 CCC#CCSCCCC=O 62a_200011292268_100009813939 [0,1,0,0,0,0|0,0,2]=3 1732 B10R0.71 CCC/C=C/COCCC#N 7a_100016278788_100000184422 [0,1,0,0,0,0|2,0,1]=4 1733 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [0,1,0,0,0,0|2,0,1]=4 1734 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [0,1,0,0,0,0|2,0,1]=4 1735 B10R0.71 CCC/C=C/COCCCF 34a_100016278788_100011934791 [0,1,0,0,0,0|2,0,1]=4 1736 B10R0.71 CCC/C=C/COCCCF 7a_100016278788_100011934791 [0,1,0,0,0,0|2,0,1]=4 1737 B10R0.71 CCC/C=C/COCCCO 34a_100016278788_100000230001 [0,1,0,0,0,0|1,0,2]=4 1738 B10R0.71 CCC/C=C/COCCCO 7a_100016278788_100011215043 [0,1,0,0,0,0|1,0,2]=4 1739 B10R0.71 CCC/C=C/COCCOC 34a_100016278788_100011201679 [0,1,0,0,0,0|3,0,0]=4 1740 B10R0.71 CCC/C=C/COCCOC 7a_100016278788_100000233755 [0,1,0,0,0,0|3,0,0]=4 1741 B10R0.71 CCC/C=C/COCCSC 34a_100016278788_100000212216 [0,1,0,0,0,0|3,0,0]=4 1742 B10R0.71 CCC/C=C/COCCSC 7a_100016278788_100000212216 [0,1,0,0,0,0|3,0,0]=4 1743 B10R0.71 CCCC#CCCOCC=O 34a_100000042726_200009817547 [0,1,0,0,0,0|0,0,3]=4 1744 B10R0.71 CCCC#CCCOCC=O 7a_100000042726_200015260668 [0,1,0,0,0,0|0,0,3]=4 1745 B10R0.71 CCCC/C=C/COCC=O 34a_200016272032_200009817547 [0,1,0,0,0,0|1,0,2]=4 1746 B10R0.71 CCCC/C=C/COCC=O 7a_200016272032_200015260668 [0,1,0,0,0,0|1,0,2]=4 1747 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [0,1,0,0,0,0|1,0,1]=3 1748 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [0,1,0,0,0,0|1,0,1]=3 1749 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [0,1,0,0,0,0|1,0,1]=3 1750 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [0,1,0,0,0,0|1,0,1]=3 1751 B10R0.71 CCCCCCC=NNCC 4a_100000756455_100000234349 [0,1,0,0,0,0|2,0,1]=4 1752 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [0,1,0,0,0,0|0,0,2]=3 1753 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [0,1,0,0,0,0|0,0,2]=3 1754 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [0,1,0,0,0,0|0,0,2]=3 1755 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [0,1,0,0,0,0|0,0,2]=3 1756 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [0,1,0,0,0,0|0,0,2]=3 1757 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [0,1,0,0,0,0|0,0,2]=3 1758 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [0,1,0,0,0,0|0,0,2]=3 1759 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [0,1,0,0,0,0|0,0,2]=3 1760 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [0,1,0,0,0,0|0,0,2]=3 1761 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [0,1,0,0,0,0|0,0,2]=3 1762 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [0,1,0,0,0,0|0,0,2]=3 1763 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [0,1,0,0,0,0|0,0,2]=3 1764 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [0,1,0,0,0,0|1,0,2]=4 1765 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [0,1,0,0,0,0|1,0,2]=4 1766 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [0,1,0,0,0,0|1,0,2]=4 1767 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [0,1,0,0,0,0|1,0,2]=4 1768 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [0,1,0,0,0,0|0,0,2]=3 1769 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [0,1,0,0,0,0|0,0,2]=3 1770 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [0,1,0,0,0,0|1,0,2]=4 1771 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [0,1,0,0,0,0|1,0,2]=4 1772 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [0,1,0,0,0,0|1,0,2]=4 1773 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [0,1,0,0,0,0|1,0,1]=3 1774 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [0,1,0,0,0,0|1,0,1]=3 1775 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [0,1,0,0,0,0|0,0,2]=3 1776 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [0,1,0,0,0,0|0,0,2]=3 1777 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [0,1,0,0,0,0|1,0,1]=3 1778 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [0,1,0,0,0,0|1,0,1]=3 1779 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [0,1,0,0,0,0|1,0,1]=3 1780 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [0,1,0,0,0,0|1,0,1]=3 1781 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [0,1,0,0,0,0|1,0,1]=3 1782 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [0,1,0,0,0,0|1,0,1]=3 1783 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [0,1,0,0,0,0|1,0,1]=3 1784 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [0,1,0,0,0,0|1,0,1]=3 1785 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [0,1,0,0,0,0|1,0,1]=3 1786 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [0,1,0,0,0,0|1,0,1]=3 1787 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [0,1,0,0,0,0|1,0,2]=4 1788 B10R0.71 CNCCOCCOCC=O 34a_100000228057_200009817547 [0,1,0,0,0,0|2,0,1]=4 1789 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [0,1,0,0,0,0|1,0,2]=4 1790 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [0,1,0,0,0,0|1,0,2]=4 1791 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [0,1,0,0,0,0|1,0,2]=4 1792 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [0,1,0,0,0,0|1,0,2]=4 1793 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [0,1,0,0,0,0|1,0,1]=3 1794 B10R0.71 COCCOCCNCC=O 2230a_100000745349_200015260668 [0,1,0,0,0,0|2,0,1]=4 1795 B10R0.71 COCCOCCNCC=O 34a_100000745349_200009817547 [0,1,0,0,0,0|2,0,1]=4 1796 B10R0.71 COCCOCCOCC=O 34a_100011215163_200009817547 [0,1,0,0,0,0|2,0,1]=4 1797 B10R0.71 COCCOCCOCC=O 7a_100011215163_200015260668 [0,1,0,0,0,0|2,0,1]=4 1798 B10R0.71 COCCOCCSCC=O 62a_100000695917_200015260668 [0,1,0,0,0,0|2,0,1]=4 1799 B10R0.71 COCCOCCSCC=O 62a_200015260668_100000695917 [0,1,0,0,0,0|2,0,1]=4 1800 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [0,1,0,0,0,0|1,0,1]=3 1801 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [0,1,0,0,0,0|1,0,1]=3 1802 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [0,1,0,0,0,0|1,0,1]=3 1803 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [0,1,0,0,0,0|1,0,1]=3 1804 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [0,1,0,0,0,0|1,0,2]=4 1805 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [0,1,0,0,0,0|1,0,2]=4 1806 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [0,1,0,0,0,0|1,0,1]=3 1807 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [0,1,0,0,0,0|1,0,1]=3 1808 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [0,1,0,0,0,0|1,0,1]=3 1809 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [0,1,0,0,0,0|1,0,1]=3 1810 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [0,1,0,0,0,0|1,0,1]=3 1811 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [0,1,0,0,0,0|1,0,1]=3 1812 B10R0.71 N#CCCSCCCCC=O 62a_100000139335_100011215226 [0,1,0,0,0,0|1,0,2]=4 1813 B10R0.71 N#CCCSCCCCC=O 62a_100011215226_100000139335 [0,1,0,0,0,0|1,0,2]=4 1814 B10R0.71 N#CCSCCCCCC=O 62a_100000139337_100011215382 [0,1,0,0,0,0|1,0,2]=4 1815 B10R0.71 N#CCSCCCCCC=O 62a_100011215382_100000139337 [0,1,0,0,0,0|1,0,2]=4 1816 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [0,1,0,0,0,0|1,0,2]=4 1817 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [0,1,0,0,0,0|1,0,1]=3 1818 B10R0.71 O=CCCCCCSCC=O 62a_100000139337_200015260668 [0,1,0,0,0,0|1,0,2]=4 1819 B10R0.71 O=CCCCCCSCC=O 62a_200015260668_100000139337 [0,1,0,0,0,0|1,0,2]=4 1820 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [0,1,0,0,0,0|1,0,1]=3 1821 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [0,1,0,0,0,0|1,0,1]=3 1822 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [0,1,0,0,0,0|1,0,1]=3 1823 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [0,1,0,0,0,0|1,0,1]=3 1824 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [0,1,0,0,0,0|1,0,1]=3 1825 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [0,1,0,0,0,0|1,0,1]=3 1826 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [0,1,0,0,0,0|1,0,1]=3 1827 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [0,1,0,0,0,0|1,0,1]=3 1828 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [0,1,0,0,0,0|1,0,1]=3 1829 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [0,1,0,0,0,0|1,0,2]=4 1830 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [0,1,0,0,0,0|1,0,2]=4 1831 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [0,1,0,0,0,0|1,0,2]=4 1832 B10R0.71 O=CCCCSCC#CCO 62a_200000047223_200011292268 [0,1,0,0,0,0|1,0,2]=4 1833 B10R0.71 O=CCCCSCC#CCO 62a_200011292268_200000047223 [0,1,0,0,0,0|1,0,2]=4 1834 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [0,1,0,0,0,0|1,0,2]=4 1835 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [0,1,0,0,0,0|1,0,2]=4 1836 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [0,1,0,0,0,0|1,0,2]=4 1837 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [0,1,0,0,0,0|1,0,2]=4 1838 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [0,1,0,0,0,0|1,0,2]=4 1839 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [0,1,0,0,0,0|1,0,2]=4 1840 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [0,1,0,0,0,0|1,0,2]=4 1841 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [0,1,0,0,0,0|1,0,2]=4 1842 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [0,1,0,0,0,0|1,0,2]=4 1843 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [0,1,0,0,0,0|1,0,2]=4 1844 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [0,1,0,0,0,0|1,0,2]=4 1845 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [0,1,0,0,0,0|1,0,2]=4 1846 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [0,1,0,0,0,0|1,0,2]=4 1847 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [0,1,0,0,0,0|1,0,2]=4 1848 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [0,1,0,0,0,0|1,0,2]=4 1849 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [0,1,0,0,0,0|1,0,2]=4 1850 B10R0.74 C#CC(C)NCC/C=C\CC 2230a_100000707721_100015370543 [0,1,0,0,0,0|2,0,1]=4 1851 B10R0.74 C#CC(C)NCC/C=C\CC 34a_100000707721_100015370543 [0,1,0,0,0,0|2,0,1]=4 1852 B10R0.74 C#CC(C)OCC/C=C\CC 34a_100016288707_200000035995 [0,1,0,0,0,0|2,0,1]=4 1853 B10R0.74 C#CC(C)SCC/C=C\CC 62a_200000035995_100015370543 [0,1,0,0,0,0|2,0,1]=4 1854 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [0,1,0,0,0,0|1,0,2]=4 1855 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [0,1,0,0,0,0|1,0,2]=4 1856 B10R0.74 C#CCCCCNC(=O)CC 11a_100000706060_100000210414 [0,1,0,0,0,0|2,0,1]=4 1857 B10R0.74 C#CCCCCNC(=O)CC 1626a_100000706060_100000210414 [0,1,0,0,0,0|2,0,1]=4 1858 B10R0.74 C#CCCCCNC(=O)CC 240690a_100000706060_100000210414 [0,1,0,0,0,0|2,0,1]=4 1859 B10R0.74 C#CCCCCNC(=O)CC 527a_100000706060_100000210414 [0,1,0,0,0,0|2,0,1]=4 1860 B10R0.74 C#C[C@@H](C)OCC/C=C\CC 34a_100009815206_100015370543 [0,1,0,0,0,0|2,0,1]=4 1861 B10R0.74 C#C[C@@H](C)OCC/C=C\CC 7a_100009815206_100015370543 [0,1,0,0,0,0|2,0,1]=4 1862 B10R0.74 C=CC(C)COC/C=C\CC 34a_100011215527_100103147603 [0,1,0,0,0,0|2,0,0]=3 1863 B10R0.74 C=CC(C)COC/C=C\CC 7a_100011215527_100103147603 [0,1,0,0,0,0|2,0,0]=3 1864 B10R0.74 C=CC(C)OCC/C=C\CC 34a_100000695699_100015370543 [0,1,0,0,0,0|2,0,0]=3 1865 B10R0.74 C=CC(C)SCC/C=C\CC 62a_100011215867_100015370543 [0,1,0,0,0,0|2,0,0]=3 1866 B10R0.74 C=CC(O)COC/C=C\CC 34a_100016268518_100000730141 [0,1,0,0,0,0|2,0,0]=3 1867 B10R0.74 C=CC(O)CSC/C=C\CC 62a_100000730141_100103147603 [0,1,0,0,0,0|2,0,0]=3 1868 B10R0.74 C=CC(O)CSC/C=C\CC 62a_100103147603_100000730141 [0,1,0,0,0,0|2,0,0]=3 1869 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,1,0,0,0,0|1,0,1]=3 1870 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,1,0,0,0,0|1,0,1]=3 1871 B10R0.74 C=CCCCCCC(=O)CF 1458a_100011934241_100015361967 [0,1,0,0,0,0|2,0,1]=4 1872 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [0,1,0,0,0,0|2,0,1]=4 1873 B10R0.74 C=CCCCCCC(=O)NC 11a_106832991635_100011934241 [0,1,0,0,0,0|2,0,1]=4 1874 B10R0.74 C=CCCCCCC(=O)NC 1626a_100102657272_100011934241 [0,1,0,0,0,0|2,0,1]=4 1875 B10R0.74 C=CCCCCCC(=O)NC 240690a_100102657272_100011934241 [0,1,0,0,0,0|2,0,1]=4 1876 B10R0.74 C=CCCCCCC(=O)NC 527a_100102657272_100011934241 [0,1,0,0,0,0|2,0,1]=4 1877 B10R0.74 C=CCCCCCN(C)CC 2230a_100000225621_100000700193 [0,1,0,0,0,0|2,0,1]=4 1878 B10R0.74 C=CCCCCCN(C)CC 269982a_100000225621_100000700193 [0,1,0,0,0,0|2,0,1]=4 1879 B10R0.74 C=CCCCCNC(=O)CC 11a_100000703577_100000210414 [0,1,0,0,0,0|2,0,0]=3 1880 B10R0.74 C=CCCCCNC(=O)CC 1626a_100000703577_100000210414 [0,1,0,0,0,0|2,0,0]=3 1881 B10R0.74 C=CCCCCNC(=O)CC 240690a_100000703577_100000210414 [0,1,0,0,0,0|2,0,0]=3 1882 B10R0.74 C=CCCCCNC(=O)CC 527a_100000703577_100000210414 [0,1,0,0,0,0|2,0,0]=3 1883 B10R0.74 C=CCCCCNC(=O)CO 240690a_100000703577_100000210174 [0,1,0,0,0,0|3,0,0]=4 1884 B10R0.74 C=CCCCCNC(=O)CO 527a_100000703577_100000210174 [0,1,0,0,0,0|3,0,0]=4 1885 B10R0.74 C=CCCCCNC(=O)NC 2708a_100000703577_106832991635 [0,1,0,0,0,0|3,0,0]=4 1886 B10R0.74 C=CCCCCNC(=O)NC 2708a_100102657272_100000703577 [0,1,0,0,0,0|3,0,0]=4 1887 B10R0.74 C=CCCCCNC(=O)NC 273464a_100000703577_100102657272 [0,1,0,0,0,0|3,0,0]=4 1888 B10R0.74 C=CCCCCNC(=O)NC 273464a_100102657272_100000703577 [0,1,0,0,0,0|3,0,0]=4 1889 B10R0.74 C=CCCCCNC(=O)NC 512a_100000703577_100102657272 [0,1,0,0,0,0|3,0,0]=4 1890 B10R0.74 C=CCCCCNC(=O)NC 512a_106832991638_100000703577 [0,1,0,0,0,0|3,0,0]=4 1891 B10R0.74 C=CCCCCNC(C)CC 2230a_100000209981_100011215482 [0,1,0,0,0,0|2,0,1]=4 1892 B10R0.74 C=CCCCCNC(C)CC 2230a_100000703577_100000758301 [0,1,0,0,0,0|2,0,1]=4 1893 B10R0.74 C=CCCCCNC(C)CC 34a_100000703577_100011215416 [0,1,0,0,0,0|2,0,1]=4 1894 B10R0.74 C=CCCCCOC(C)CC 34a_100000766645_100011215416 [0,1,0,0,0,0|2,0,1]=4 1895 B10R0.74 C=CCCCCOC(C)CC 7a_100000210228_100011215482 [0,1,0,0,0,0|2,0,1]=4 1896 B10R0.74 C=CCCCCOC(C)CC 7a_100000766645_100000758301 [0,1,0,0,0,0|2,0,1]=4 1897 B10R0.74 C=CCCCCSC(C)CC 62a_100000758301_100011215482 [0,1,0,0,0,0|2,0,1]=4 1898 B10R0.74 C=CCCCCSC(C)CC 62a_100011215482_100000758301 [0,1,0,0,0,0|2,0,1]=4 1899 B10R0.74 C=CCCCOCC(=O)CC 34a_100000725409_100000757094 [0,1,0,0,0,0|2,0,1]=4 1900 B10R0.74 C=CCCCOCC(=O)CC 7a_100000758997_100000747405 [0,1,0,0,0,0|2,0,1]=4 1901 B10R0.74 C=CCCCSCC(=O)CC 62a_100000747405_100000757094 [0,1,0,0,0,0|2,0,1]=4 1902 B10R0.74 C=CCCCSCC(=O)CC 62a_100011713584_100000747405 [0,1,0,0,0,0|2,0,1]=4 1903 B10R0.74 C=CCNCCNC(=O)CC 34a_100132302217_100015514636 [0,1,0,0,0,0|3,0,0]=4 1904 B10R0.74 C=CCOCCNC(=O)CC 34a_200000158885_100015514636 [0,1,0,0,0,0|3,0,0]=4 1905 B10R0.74 C=CCOCCNC(=O)CC 7a_200000158885_100015514636 [0,1,0,0,0,0|3,0,0]=4 1906 B10R0.74 C=CCOCCOC(=O)CC 7a_200000031056_100015514636 [0,1,0,0,0,0|3,0,0]=4 1907 B10R0.74 C=COCCCNC(=O)CC 11a_100000210767_100000210414 [0,1,0,0,0,0|3,0,0]=4 1908 B10R0.74 C=COCCCNC(=O)CC 1626a_100000210767_100000210414 [0,1,0,0,0,0|3,0,0]=4 1909 B10R0.74 C=COCCCNC(=O)CC 240690a_100000210767_100000210414 [0,1,0,0,0,0|3,0,0]=4 1910 B10R0.74 C=COCCCNC(=O)CC 527a_100000210767_100000210414 [0,1,0,0,0,0|3,0,0]=4 1911 B10R0.74 C=C[C@H](N)COC/C=C\CC 34a_100016989147_100103147603 [0,1,0,0,0,0|2,0,0]=3 1912 B10R0.74 CC(CF)OCCCCC=O 7a_100016041109_100000139335 [0,1,0,0,0,0|2,0,1]=4 1913 B10R0.74 CC(CO)SCCCCC=O 62a_100012180447_100000139335 [0,1,0,0,0,0|2,0,1]=4 1914 B10R0.74 CC/C=C\CCNC(C)C#N 2230a_100000737613_100015370543 [0,1,0,0,0,0|2,0,1]=4 1915 B10R0.74 CC/C=C\CCNC(C)CC 2230a_100000209981_100015370543 [0,1,0,0,0,0|2,0,1]=4 1916 B10R0.74 CC/C=C\CCN[C@H](C)CO 2230a_100000737577_100015370543 [0,1,0,0,0,0|1,0,2]=4 1917 B10R0.74 CC/C=C\CCOC(C)C#N 34a_100011218135_100015370543 [0,1,0,0,0,0|2,0,1]=4 1918 B10R0.74 CC/C=C\CCOC(C)C#N 7a_100016288707_100000703298 [0,1,0,0,0,0|2,0,1]=4 1919 B10R0.74 CC/C=C\CCOC(C)CC 34a_100016288707_100011215416 [0,1,0,0,0,0|2,0,1]=4 1920 B10R0.74 CC/C=C\CCOC(C)CC 7a_100000210228_100015370543 [0,1,0,0,0,0|2,0,1]=4 1921 B10R0.74 CC/C=C\CCOC(C)CC 7a_100016288707_100000758301 [0,1,0,0,0,0|2,0,1]=4 1922 B10R0.74 CC/C=C\CCOC(C)CF 34a_100016041109_100015370543 [0,1,0,0,0,0|2,0,1]=4 1923 B10R0.74 CC/C=C\CCOC(C)CF 7a_100016041109_100015370543 [0,1,0,0,0,0|2,0,1]=4 1924 B10R0.74 CC/C=C\CCOC(C)CN 34a_100000210904_100015370543 [0,1,0,0,0,0|2,0,1]=4 1925 B10R0.74 CC/C=C\CCOC(C)CO 34a_100016288707_100012180447 [0,1,0,0,0,0|1,0,2]=4 1926 B10R0.74 CC/C=C\CCOC(C)CO 7a_100016288707_100012180447 [0,1,0,0,0,0|1,0,2]=4 1927 B10R0.74 CC/C=C\CCSC(C)C#N 62a_100000703298_100015370543 [0,1,0,0,0,0|2,0,1]=4 1928 B10R0.74 CC/C=C\CCSC(C)C#N 62a_100015370543_100000703298 [0,1,0,0,0,0|2,0,1]=4 1929 B10R0.74 CC/C=C\CCSC(C)CC 62a_100000758301_100015370543 [0,1,0,0,0,0|2,0,1]=4 1930 B10R0.74 CC/C=C\CCSC(C)CC 62a_100015370543_100000758301 [0,1,0,0,0,0|2,0,1]=4 1931 B10R0.74 CC/C=C\CCSC(C)CO 62a_100012180447_100015370543 [0,1,0,0,0,0|1,0,2]=4 1932 B10R0.74 CC/C=C\CCSC(C)OC 62a_100009879195_100015370543 [0,1,0,0,0,0|3,0,0]=4 1933 B10R0.74 CC/C=C\CCSC(C)OC 62a_100015370543_100009879195 [0,1,0,0,0,0|3,0,0]=4 1934 B10R0.74 CC/C=C\CCSC(F)C#N 62a_100015370543_200000117898 [0,1,0,0,0,0|2,0,1]=4 1935 B10R0.74 CC/C=C\CCSC(F)C#N 62a_200000117898_100015370543 [0,1,0,0,0,0|2,0,1]=4 1936 B10R0.74 CC/C=C\CCS[C@H](C)CO 62a_100015370543_100016084084 [0,1,0,0,0,0|1,0,2]=4 1937 B10R0.74 CC/C=C\CCS[C@H](C)CO 62a_100016084084_100015370543 [0,1,0,0,0,0|1,0,2]=4 1938 B10R0.74 CC/C=C\CNCC(C)CC 2230a_100020588543_100103147603 [0,1,0,0,0,0|2,0,1]=4 1939 B10R0.74 CC/C=C\CNCC(C)CO 34a_100000744482_100103147603 [0,1,0,0,0,0|1,0,2]=4 1940 B10R0.74 CC/C=C\CNCC(O)CC 2230a_100011218483_100103147603 [0,1,0,0,0,0|2,0,1]=4 1941 B10R0.74 CC/C=C\CNC[C@@H](C)OC 2230a_100020591295_100103147603 [0,1,0,0,0,0|3,0,0]=4 1942 B10R0.74 CC/C=C\CNC[C@@H](F)CO 34a_100015665980_100103147603 [0,1,0,0,0,0|1,0,2]=4 1943 B10R0.74 CC/C=C\CNC[C@H](O)CO 2230a_100020644852_100103147603 [0,1,0,0,0,0|1,0,2]=4 1944 B10R0.74 CC/C=C\COCC(C)CC 34a_100016268518_100000748023 [0,1,0,0,0,0|2,0,1]=4 1945 B10R0.74 CC/C=C\COCC(C)CN 34a_100000744482_100103147603 [0,1,0,0,0,0|2,0,1]=4 1946 B10R0.74 CC/C=C\COCC(C)OC 34a_100000690652_100103147603 [0,1,0,0,0,0|3,0,0]=4 1947 B10R0.74 CC/C=C\COCC(Cl)CCl 34a_100000033668_100103147603 [0,1,0,0,0,0|2,0,1]=4 1948 B10R0.74 CC/C=C\COCC(O)CC 34a_100016268518_100011218378 [0,1,0,0,0,0|2,0,1]=4 1949 B10R0.74 CC/C=C\COCC(O)CO 34a_100016268518_100011219619 [0,1,0,0,0,0|1,0,2]=4 1950 B10R0.74 CC/C=C\COC[C@@H](C)CC 34a_100016268518_100009816398 [0,1,0,0,0,0|2,0,1]=4 1951 B10R0.74 CC/C=C\COC[C@@H](C)CC 7a_100009816381_100103147603 [0,1,0,0,0,0|2,0,1]=4 1952 B10R0.74 CC/C=C\COC[C@@H](C)CO 34a_100016268518_100000059175 [0,1,0,0,0,0|1,0,2]=4 1953 B10R0.74 CC/C=C\COC[C@@H](O)CF 34a_100016268518_100015614560 [0,1,0,0,0,0|2,0,1]=4 1954 B10R0.74 CC/C=C\COC[C@@H](O)CO 34a_100016268518_100009815848 [0,1,0,0,0,0|1,0,2]=4 1955 B10R0.74 CC/C=C\COC[C@H](F)CN 34a_100015665980_100103147603 [0,1,0,0,0,0|2,0,1]=4 1956 B10R0.74 CC/C=C\CSCC(C)CC 62a_100000748023_100103147603 [0,1,0,0,0,0|2,0,1]=4 1957 B10R0.74 CC/C=C\CSCC(C)CC 62a_100103147603_100000748023 [0,1,0,0,0,0|2,0,1]=4 1958 B10R0.74 CC/C=C\CSCC(O)CC 62a_100011218378_100103147603 [0,1,0,0,0,0|2,0,1]=4 1959 B10R0.74 CC/C=C\CSCC(O)CC 62a_100103147603_100011218378 [0,1,0,0,0,0|2,0,1]=4 1960 B10R0.74 CC/C=C\CSCC(O)CO 62a_100011219619_100103147603 [0,1,0,0,0,0|1,0,2]=4 1961 B10R0.74 CC/C=C\CSCC(O)CO 62a_100103147603_100011219619 [0,1,0,0,0,0|1,0,2]=4 1962 B10R0.74 CC/C=C\CSC[C@@H](C)CC 62a_100009816398_100103147603 [0,1,0,0,0,0|2,0,1]=4 1963 B10R0.74 CC/C=C\CSC[C@@H](C)CC 62a_100103147603_100009816398 [0,1,0,0,0,0|2,0,1]=4 1964 B10R0.74 CC/C=C\CSC[C@@H](C)CO 62a_100000059175_100103147603 [0,1,0,0,0,0|1,0,2]=4 1965 B10R0.74 CC/C=C\CSC[C@@H](C)CO 62a_100103147603_100000059175 [0,1,0,0,0,0|1,0,2]=4 1966 B10R0.74 CC/C=C\CSC[C@@H](O)CF 62a_100015614560_100103147603 [0,1,0,0,0,0|2,0,1]=4 1967 B10R0.74 CC/C=C\CSC[C@@H](O)CF 62a_100103147603_100015614560 [0,1,0,0,0,0|2,0,1]=4 1968 B10R0.74 CC/C=C\CSC[C@@H](O)CO 62a_100009815848_100103147603 [0,1,0,0,0,0|1,0,2]=4 1969 B10R0.74 CC/C=C\CSC[C@@H](O)CO 62a_100103147603_100009815848 [0,1,0,0,0,0|1,0,2]=4 1970 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [0,1,0,0,0,0|1,0,2]=4 1971 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,1,0,0,0,0|1,0,2]=4 1972 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,1,0,0,0,0|0,0,3]=4 1973 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,1,0,0,0,0|0,0,3]=4 1974 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,1,0,0,0,0|2,0,1]=4 1975 B10R0.74 CCC(=O)CSCCCC=O 62a_100000747405_200011292268 [0,1,0,0,0,0|1,0,1]=3 1976 B10R0.74 CCC(=O)CSCCCC=O 62a_200011292268_100000747405 [0,1,0,0,0,0|1,0,1]=3 1977 B10R0.74 CCC(=O)NCCCCC#N 11a_100000751965_100000210414 [0,1,0,0,0,0|2,0,1]=4 1978 B10R0.74 CCC(=O)NCCCCC#N 1626a_100000751965_100000210414 [0,1,0,0,0,0|2,0,1]=4 1979 B10R0.74 CCC(=O)NCCCCC#N 240690a_100000751965_100000210414 [0,1,0,0,0,0|2,0,1]=4 1980 B10R0.74 CCC(=O)NCCCCC#N 527a_100000751965_100000210414 [0,1,0,0,0,0|2,0,1]=4 1981 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,1,0,0,0,0|1,0,2]=4 1982 B10R0.74 CCC(=O)NCCNCC=O 34a_100132302217_200009817547 [0,1,0,0,0,0|2,0,0]=3 1983 B10R0.74 CCC(=O)NCCOCC=O 34a_200000158885_200009817547 [0,1,0,0,0,0|2,0,0]=3 1984 B10R0.74 CCC(=O)NCCOCC=O 7a_200000158885_200015260668 [0,1,0,0,0,0|2,0,0]=3 1985 B10R0.74 CCC(=O)OCCOCC=O 7a_200000031056_200015260668 [0,1,0,0,0,0|2,0,0]=3 1986 B10R0.74 CCC(C)CCCOCC=O 7a_100011216074_200015260668 [0,1,0,0,0,0|1,0,2]=4 1987 B10R0.74 CCC(C)CNCCCC=O 2230a_100020588543_200011292268 [0,1,0,0,0,0|1,0,2]=4 1988 B10R0.74 CCC(C)CSCCCC=O 62a_100000748023_200011292268 [0,1,0,0,0,0|1,0,2]=4 1989 B10R0.74 CCC(C)CSCCCC=O 62a_200011292268_100000748023 [0,1,0,0,0,0|1,0,2]=4 1990 B10R0.74 CCC(C)NCCCCC=O 2230a_100000209981_100000139335 [0,1,0,0,0,0|1,0,1]=3 1991 B10R0.74 CCC(C)OCCCCC=O 7a_100000210228_100000139335 [0,1,0,0,0,0|1,0,1]=3 1992 B10R0.74 CCC(C)SCCCCC=O 62a_100000139335_100000758301 [0,1,0,0,0,0|1,0,1]=3 1993 B10R0.74 CCC(C)SCCCCC=O 62a_100000758301_100000139335 [0,1,0,0,0,0|1,0,1]=3 1994 B10R0.74 CCC(O)CNCCCC=O 2230a_100011218483_200011292268 [0,1,0,0,0,0|1,0,2]=4 1995 B10R0.74 CCC(O)CSCCCC=O 62a_100011218378_200011292268 [0,1,0,0,0,0|1,0,2]=4 1996 B10R0.74 CCC(O)CSCCCC=O 62a_200011292268_100011218378 [0,1,0,0,0,0|1,0,2]=4 1997 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,1,0,0,0,0|1,0,2]=4 1998 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,1,0,0,0,0|1,0,2]=4 1999 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,1,0,0,0,0|1,0,2]=4 2000 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,1,0,0,0,0|2,0,1]=4 2001 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,1,0,0,0,0|2,0,1]=4 2002 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,1,0,0,0,0|2,0,1]=4 2003 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,1,0,0,0,0|2,0,1]=4 2004 B10R0.74 CCN(C)CCCCCC=O 2230a_100000225621_100000139337 [0,1,0,0,0,0|1,0,1]=3 2005 B10R0.74 CCN(C)CCCCCC=O 269982a_100000225621_100000139337 [0,1,0,0,0,0|1,0,1]=3 2006 B10R0.74 CCN(C)CCCSCC=O 62a_200015260668_100015186262 [0,1,0,0,0,0|2,0,1]=4 2007 B10R0.74 CC[C@H](C)COCCCC=O 7a_100009816381_200011292268 [0,1,0,0,0,0|1,0,2]=4 2008 B10R0.74 CC[C@H](C)CSCCCC=O 62a_100009816398_200011292268 [0,1,0,0,0,0|1,0,2]=4 2009 B10R0.74 CC[C@H](C)CSCCCC=O 62a_200011292268_100009816398 [0,1,0,0,0,0|1,0,2]=4 2010 B10R0.74 CNC(=O)CCCNCC=O 2230a_100000740002_200015260668 [0,1,0,0,0,0|2,0,1]=4 2011 B10R0.74 CNC(=O)CCCNCC=O 34a_100000740002_200009817547 [0,1,0,0,0,0|2,0,1]=4 2012 B10R0.74 CNC(=O)CCCSCC=O 62a_100000741757_200015260668 [0,1,0,0,0,0|2,0,1]=4 2013 B10R0.74 CNC(=O)CCCSCC=O 62a_200015260668_100000741757 [0,1,0,0,0,0|2,0,1]=4 2014 B10R0.74 CNC(=O)CNCCCC=O 2230a_100000693194_200011292268 [0,1,0,0,0,0|2,0,1]=4 2015 B10R0.74 CNC(=O)CSCCCC=O 62a_100000183359_200011292268 [0,1,0,0,0,0|2,0,1]=4 2016 B10R0.74 CNC(=O)CSCCCC=O 62a_200011292268_100000183359 [0,1,0,0,0,0|2,0,1]=4 2017 B10R0.74 CNC(=O)NCCNCC=O 34a_100015205895_200009817547 [0,1,0,0,0,0|3,0,0]=4 2018 B10R0.74 CNC(=O)OCCSCC=O 62a_200011997002_200015260668 [0,1,0,0,0,0|3,0,0]=4 2019 B10R0.74 CNC(=O)OCCSCC=O 62a_200015260668_200011997002 [0,1,0,0,0,0|3,0,0]=4 2020 B10R0.74 COC(=O)/C=C/CSCC=O 62a_100000742655_200015260668 [0,1,0,0,0,0|2,0,1]=4 2021 B10R0.74 COC(=O)/C=C/CSCC=O 62a_200015260668_100000742655 [0,1,0,0,0,0|2,0,1]=4 2022 B10R0.74 COC(=O)CCCSCC=O 62a_100011218270_200015260668 [0,1,0,0,0,0|2,0,1]=4 2023 B10R0.74 COC(=O)CCCSCC=O 62a_200015260668_100011218270 [0,1,0,0,0,0|2,0,1]=4 2024 B10R0.74 COC(=O)CSCCCC=O 62a_100000747449_200011292268 [0,1,0,0,0,0|2,0,1]=4 2025 B10R0.74 COC(=O)CSCCCC=O 62a_200011292268_100000747449 [0,1,0,0,0,0|2,0,1]=4 2026 B10R0.74 COC(=O)NCCOCC=O 34a_100000757965_200009817547 [0,1,0,0,0,0|3,0,0]=4 2027 B10R0.74 COC(=O)OCCOCC=O 34a_100010262106_200009817547 [0,1,0,0,0,0|3,0,0]=4 2028 B10R0.74 COC(C)SCCCCC=O 62a_100000139335_100009879195 [0,1,0,0,0,0|2,0,1]=4 2029 B10R0.74 COC(C)SCCCCC=O 62a_100009879195_100000139335 [0,1,0,0,0,0|2,0,1]=4 2030 B10R0.74 C[C@H](CO)NCCCCC=O 2230a_100000737577_100000139335 [0,1,0,0,0,0|2,0,1]=4 2031 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100000139335_100016084084 [0,1,0,0,0,0|2,0,1]=4 2032 B10R0.74 C[C@H](CO)SCCCCC=O 62a_100016084084_100000139335 [0,1,0,0,0,0|2,0,1]=4 2033 B10R0.91 C#CCCC(=O)C/C=C/CC 1458a_100016274230_100000753159 [0,1,0,0,0,0|1,0,2]=4 2034 B10R0.91 C#CCCC(=O)C/C=C\CC 1458a_100000692101_100103147603 [0,1,0,0,0,0|1,0,2]=4 2035 B10R0.91 C#CCCCC(=O)C=CCC 1458a_100000212282_100000731252 [0,1,0,0,0,0|1,0,2]=4 2036 B10R0.91 C/C=C/CC(=O)C/C=C/CC 1458a_100016274230_100102629194 [0,1,0,0,0,0|1,0,2]=4 2037 B10R0.91 C=CCCC(=O)C/C=C/CC 1458a_100016274230_100000754431 [0,1,0,0,0,0|1,0,1]=3 2038 B10R0.91 C=CCCC(=O)C/C=C\CC 1458a_100000749702_100103147603 [0,1,0,0,0,0|1,0,1]=3 2039 B10R0.91 C=CCCCC(=O)C=CCC 1458a_100000212282_100000757094 [0,1,0,0,0,0|1,0,1]=3 2040 B10R0.91 C=CCCCC(=O)C=COC 1458a_100016268678_100000757094 [0,1,0,0,0,0|2,0,1]=4 2041 B10R0.91 C=CCCN(C)C/C=C\CC 2230a_100020639649_100103147603 [0,1,0,0,0,0|2,0,0]=3 2042 B10R0.91 C=CCCN(C)C/C=C\CC 269982a_100020639649_100103147603 [0,1,0,0,0,0|2,0,0]=3 2043 B10R0.91 C=CCCNC(=O)C=CCC 11a_100015191253_100000212282 [0,1,0,0,0,0|2,0,1]=4 2044 B10R0.91 C=CCCNC(=O)C=CCC 1626a_100015191253_100000212282 [0,1,0,0,0,0|2,0,1]=4 2045 B10R0.91 C=CCCNC(=O)C=CCC 240690a_100015191253_100000212282 [0,1,0,0,0,0|2,0,1]=4 2046 B10R0.91 C=CCNC(=O)C/C=C/CC 1626a_100020586998_100016274230 [0,1,0,0,0,0|2,0,1]=4 2047 B10R0.91 C=CCNC(=O)C/C=C/CC 240690a_100020586998_100016274230 [0,1,0,0,0,0|2,0,1]=4 2048 B10R0.91 C=CCNC(=O)C/C=C/CC 527a_100020586998_100016274230 [0,1,0,0,0,0|2,0,1]=4 2049 B10R0.91 C=COCCC(=O)C=CCC 1458a_100000212282_100000039644 [0,1,0,0,0,0|2,0,1]=4 2050 B10R0.91 CC/C=C/CC(=O)CCC#N 1458a_100016274230_100011215226 [0,1,0,0,0,0|1,0,2]=4 2051 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [0,1,0,0,0,0|1,0,2]=4 2052 B10R0.91 CC/C=C/CC(=O)CCCF 1458a_100016274230_100011934791 [0,1,0,0,0,0|1,0,2]=4 2053 B10R0.91 CC/C=C/CC(=O)CCCO 1458a_100016274230_100011215043 [0,1,0,0,0,0|0,0,3]=4 2054 B10R0.91 CC/C=C/CC(=O)CCOC 1458a_100016274230_100000233755 [0,1,0,0,0,0|2,0,1]=4 2055 B10R0.91 CC/C=C/CC(=O)CCSC 1458a_100016274230_100000751147 [0,1,0,0,0,0|2,0,1]=4 2056 B10R0.91 CC/C=C\CC(=O)CCC#N 1458a_100011934036_100103147603 [0,1,0,0,0,0|1,0,2]=4 2057 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [0,1,0,0,0,0|1,0,2]=4 2058 B10R0.91 CC/C=C\CC(=O)CCOC 1458a_100000749529_100103147603 [0,1,0,0,0,0|2,0,1]=4 2059 B10R0.91 CC/C=C\CC(=O)CCSC 1458a_100000174002_100103147603 [0,1,0,0,0,0|2,0,1]=4 2060 B10R0.91 CC/C=C\CN(C)CCC#N 2230a_100000184479_100103147603 [0,1,0,0,0,0|2,0,1]=4 2061 B10R0.91 CC/C=C\CN(C)CCCC 2230a_100000207549_100103147603 [0,1,0,0,0,0|2,0,1]=4 2062 B10R0.91 CC/C=C\CN(C)CCCC 269982a_100000207549_100103147603 [0,1,0,0,0,0|2,0,1]=4 2063 B10R0.91 CC/C=C\CN(C)CCCO 2230a_100000213112_100103147603 [0,1,0,0,0,0|1,0,2]=4 2064 B10R0.91 CC/C=C\CN(C)CCCO 269982a_100000213112_100103147603 [0,1,0,0,0,0|1,0,2]=4 2065 B10R0.91 CC/C=C\CN(C)CCOC 2230a_100000743101_100103147603 [0,1,0,0,0,0|3,0,0]=4 2066 B10R0.91 CC/C=C\CN(C)CCOC 269982a_100000743101_100103147603 [0,1,0,0,0,0|3,0,0]=4 2067 B10R0.91 CC/C=C\CN(C)CCSC 2230a_100000686725_100103147603 [0,1,0,0,0,0|3,0,0]=4 2068 B10R0.91 CC/C=C\CN(C)CCSC 269982a_100000686725_100103147603 [0,1,0,0,0,0|3,0,0]=4 2069 B10R0.91 CC=CCC(=O)C/C=C/CC 1458a_100016274230_100000070051 [0,1,0,0,0,0|1,0,2]=4 2070 B10R0.91 CC=CCC(=O)C/C=C\CC 1458a_100121576822_100103147603 [0,1,0,0,0,0|1,0,2]=4 2071 B10R0.91 CCC#CCC(C)OCC=O 34a_200000035118_200009817547 [0,1,0,0,0,0|1,0,2]=4 2072 B10R0.91 CCC#CCC(C)OCC=O 7a_200000035118_200015260668 [0,1,0,0,0,0|1,0,2]=4 2073 B10R0.91 CCC=CC(=O)CCCC#N 1458a_100000212282_100000211468 [0,1,0,0,0,0|1,0,2]=4 2074 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,1,0,0,0,0|1,0,2]=4 2075 B10R0.91 CCC=CC(=O)CCCCF 1458a_100000212282_100000729493 [0,1,0,0,0,0|1,0,2]=4 2076 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [0,1,0,0,0,0|0,0,3]=4 2077 B10R0.91 CCC=CC(=O)CCCOC 1458a_100000212282_100000740836 [0,1,0,0,0,0|2,0,1]=4 2078 B10R0.91 CCCCC(C)COCC=O 34a_100011995851_200009817547 [0,1,0,0,0,0|1,0,2]=4 2079 B10R0.91 CCCCC(C)COCC=O 7a_100011995851_200015260668 [0,1,0,0,0,0|1,0,2]=4 2080 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [0,1,0,0,0,0|1,0,2]=4 2081 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [0,1,0,0,0,0|1,0,2]=4 2082 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [0,1,0,0,0,0|1,0,2]=4 2083 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [0,1,0,0,0,0|1,0,2]=4 2084 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [0,1,0,0,0,0|1,0,2]=4 2085 B10R0.91 CCCCN(C)CCCC=O 2230a_100000207549_200011292268 [0,1,0,0,0,0|1,0,2]=4 2086 B10R0.91 CCCCN(C)CCCC=O 269982a_100000207549_200011292268 [0,1,0,0,0,0|1,0,2]=4 2087 B10R0.91 CCCC[C@H](N)COCC=O 34a_100011934283_200009817547 [0,1,0,0,0,0|1,0,2]=4 2088 B10R0.91 CCCOC(C)CNCC=O 2230a_100015185124_200015260668 [0,1,0,0,0,0|2,0,1]=4 2089 B10R0.91 CCCOC(C)CNCC=O 34a_100015185124_200009817547 [0,1,0,0,0,0|2,0,1]=4 2090 B10R0.91 CCOCC(O)CNCC=O 2230a_102515437182_200015260668 [0,1,0,0,0,0|2,0,1]=4 2091 B10R0.91 CCOCC(O)CNCC=O 34a_102515437182_200009817547 [0,1,0,0,0,0|2,0,1]=4 2092 B10R1.4 CC1CCCCN1CC=O 2230a_100000211376_200015260668 [0,0,0,1,0,0|1,0,2]=4 2093 B10R1.4 CC1CCCCN1CC=O 269982a_100000211376_200015260668 [0,0,0,1,0,0|1,0,2]=4 2094 B10R1.4 CC1CCCCN1CC=O 34a_100000211376_200009817547 [0,0,0,1,0,0|1,0,2]=4 2095 B10R1.4 CCNC1CCCNC1=O 2230a_100000747585_100000210202 [0,0,0,1,0,0|2,0,1]=4 2096 B10R1.4 CCNC1CCCNC1=O 2230a_100015525214_100000687798 [0,0,0,1,0,0|2,0,1]=4 2097 B10R1.4 CCNC1CCCNC1=O 34a_100000747585_100000210202 [0,0,0,1,0,0|2,0,1]=4 2098 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [0,0,0,1,0,0|1,0,1]=3 2099 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [0,0,0,1,0,0|1,0,1]=3 2100 B10R1.4 CCOC1CCCNC1=O 34a_100000073722_100000210202 [0,0,0,1,0,0|2,0,1]=4 2101 B10R1.4 CCOC1CCCNC1=O 34a_100121572206_100000687798 [0,0,0,1,0,0|2,0,1]=4 2102 B10R1.4 CCOC1COCCC1=O 34a_100121572206_100012180262 [0,0,0,1,0,0|2,0,1]=4 2103 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [0,0,0,1,0,0|1,0,1]=3 2104 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [0,0,0,1,0,0|1,0,1]=3 2105 B10R1.4 CCSC1CCCNC1=O 62a_100000210202_100000687798 [0,0,0,1,0,0|2,0,1]=4 2106 B10R1.4 CCSC1CCCNC1=O 62a_100000687798_100000210202 [0,0,0,1,0,0|2,0,1]=4 2107 B10R1.4 CCSC1COCCC1=O 62a_100000210202_100012180262 [0,0,0,1,0,0|2,0,1]=4 2108 B10R1.4 CCSC1COCCC1=O 62a_100012180262_100000210202 [0,0,0,1,0,0|2,0,1]=4 2109 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [0,0,0,1,0,0|1,0,2]=4 2110 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [0,0,0,1,0,0|1,0,2]=4 2111 B10R1.4 C[C@H]1COCCN1CC=O 2230a_100009815349_200015260668 [0,0,0,1,0,0|2,0,1]=4 2112 B10R1.4 C[C@H]1COCCN1CC=O 269982a_100009815349_200015260668 [0,0,0,1,0,0|2,0,1]=4 2113 B10R1.4 C[C@H]1COCCN1CC=O 34a_100009815349_200009817547 [0,0,0,1,0,0|2,0,1]=4 2114 B10R1.4 O=C1CCCCC1OCF 34a_100011214950_100015361967 [0,0,0,1,0,0|2,0,1]=4 2115 B10R1.4 O=C1CCCCC1SCF 62a_100000204591_100015361967 [0,0,0,1,0,0|2,0,1]=4 2116 B10R1.4 O=C1CCCCC1SCF 62a_100015361967_100000204591 [0,0,0,1,0,0|2,0,1]=4 2117 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [0,0,0,1,0,0|1,0,2]=4 2118 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [0,0,0,1,0,0|1,0,2]=4 2119 B10R1.5 CCC1C=CCN1CC=O 2230a_100000730860_200015260668 [0,0,0,1,0,0|1,0,2]=4 2120 B10R1.5 CCC1C=CCN1CC=O 269982a_100000730860_200015260668 [0,0,0,1,0,0|1,0,2]=4 2121 B10R1.5 CCC1C=CCN1CC=O 34a_100000730860_200009817547 [0,0,0,1,0,0|1,0,2]=4 2122 B10R1.5 CCC1CCCN1CC=O 2230a_100000754278_200015260668 [0,0,0,1,0,0|1,0,2]=4 2123 B10R1.5 CCC1CCCN1CC=O 269982a_100000754278_200015260668 [0,0,0,1,0,0|1,0,2]=4 2124 B10R1.5 CCC1CCCN1CC=O 34a_100000754278_200009817547 [0,0,0,1,0,0|1,0,2]=4 2125 B10R1.17 C#CCCN1CC=CCC1 2230a_100000698166_100000688953 [0,0,0,1,0,0|2,0,1]=4 2126 B10R1.17 C#CCCN1CC=CCC1 269982a_100000698166_100000730999 [0,0,0,1,0,0|2,0,1]=4 2127 B10R1.17 C#CCCN1CC=CCC1 34a_100000698166_100000688953 [0,0,0,1,0,0|2,0,1]=4 2128 B10R1.17 C#CCOC1CC=CCC1 34a_100000073881_100000184674 [0,0,0,1,0,0|2,0,1]=4 2129 B10R1.17 C/C=C/CN1CC=CCC1 269982a_100000698166_100102629194 [0,0,0,1,0,0|2,0,1]=4 2130 B10R1.17 C/C=C/CN1CC=CCC1 34a_100000698166_100102629194 [0,0,0,1,0,0|2,0,1]=4 2131 B10R1.17 C=CCCN1CC=CCC1 2230a_100000698166_100000754431 [0,0,0,1,0,0|2,0,0]=3 2132 B10R1.17 C=CCCN1CC=CCC1 269982a_100000698166_100000754431 [0,0,0,1,0,0|2,0,0]=3 2133 B10R1.17 C=CCCN1CC=CCC1 34a_100000698166_100000754431 [0,0,0,1,0,0|2,0,0]=3 2134 B10R1.17 C=CCOC1CC=CCC1 34a_100000073881_100015514636 [0,0,0,1,0,0|2,0,0]=3 2135 B10R1.17 CC=CCN1CC=CCC1 2230a_100000698166_100000070051 [0,0,0,1,0,0|2,0,1]=4 2136 B10R1.17 CC=CCN1CC=CCC1 34a_100000698166_100000070051 [0,0,0,1,0,0|2,0,1]=4 2137 B10R1.17 CCCCN1CC=CCC1 2230a_100000698166_100000210211 [0,0,0,1,0,0|2,0,1]=4 2138 B10R1.17 CCCCN1CC=CCC1 269982a_100000698166_100000210211 [0,0,0,1,0,0|2,0,1]=4 2139 B10R1.17 CCCCN1CC=CCC1 34a_100000698166_100000210210 [0,0,0,1,0,0|2,0,1]=4 2140 B10R1.17 CCCOC1C=CCCC1 34a_100011215024_100000210303 [0,0,0,1,0,0|2,0,1]=4 2141 B10R1.17 CCCOC1CC=CCC1 34a_100000073881_100000210303 [0,0,0,1,0,0|2,0,1]=4 2142 B10R1.17 CCCSC1C=CCCC1 62a_100000210303_100000751183 [0,0,0,1,0,0|2,0,1]=4 2143 B10R1.17 CCCSC1C=CCCC1 62a_100000751183_100000210303 [0,0,0,1,0,0|2,0,1]=4 2144 B10R1.17 CCNCC1CC=CCC1 270004a_100015525214_100000189434 [0,0,0,1,0,0|2,0,1]=4 2145 B10R1.17 CCOCC1CC=CCC1 34a_100000210713_100000210202 [0,0,0,1,0,0|2,0,1]=4 2146 B10R1.17 COCCN1CC=CCC1 2230a_100000698166_100011201679 [0,0,0,1,0,0|3,0,0]=4 2147 B10R1.17 COCCN1CC=CCC1 269982a_100000698166_100000233755 [0,0,0,1,0,0|3,0,0]=4 2148 B10R1.17 COCCN1CC=CCC1 34a_100000698166_100011201679 [0,0,0,1,0,0|3,0,0]=4 2149 B10R1.17 CSCCN1CC=CCC1 2230a_100000698166_100000751147 [0,0,0,1,0,0|3,0,0]=4 2150 B10R1.17 CSCCN1CC=CCC1 269982a_100000698166_100000212216 [0,0,0,1,0,0|3,0,0]=4 2151 B10R1.17 CSCCN1CC=CCC1 34a_100000698166_100000212216 [0,0,0,1,0,0|3,0,0]=4 2152 B10R1.17 CSCOC1CC=CCC1 34a_100000073881_100011218213 [0,0,0,1,0,0|3,0,0]=4 2153 B10R1.17 FCCCN1CC=CCC1 2230a_100000698166_100011934791 [0,0,0,1,0,0|2,0,1]=4 2154 B10R1.17 FCCCN1CC=CCC1 269982a_100000698166_100011934791 [0,0,0,1,0,0|2,0,1]=4 2155 B10R1.17 FCCCN1CC=CCC1 34a_100000698166_100011934791 [0,0,0,1,0,0|2,0,1]=4 2156 B10R1.17 FCCOC1CC=CCC1 34a_100000073881_100011217306 [0,0,0,1,0,0|2,0,1]=4 2157 B10R1.17 FCOCC1CC=CCC1 34a_100000210713_100015361967 [0,0,0,1,0,0|2,0,1]=4 2158 B10R1.17 N#CCCN1CC=CCC1 2230a_100000698166_100011215226 [0,0,0,1,0,0|2,0,1]=4 2159 B10R1.17 N#CCCN1CC=CCC1 269982a_100000698166_100011215226 [0,0,0,1,0,0|2,0,1]=4 2160 B10R1.17 O=CCNC1CCCCC1 2230a_100000182618_200015260668 [0,0,0,1,0,0|1,0,2]=4 2161 B10R1.17 O=CCNC1CCCCC1 34a_100000182618_200009817547 [0,0,0,1,0,0|1,0,2]=4 2162 B10R1.17 O=CCNC1CCCOC1 2230a_100000719290_200015260668 [0,0,0,1,0,0|2,0,1]=4 2163 B10R1.17 O=CCNC1CCCOC1 34a_100000719290_200009817547 [0,0,0,1,0,0|2,0,1]=4 2164 B10R1.17 O=CCNC1CCOCC1 2230a_100000741149_200015260668 [0,0,0,1,0,0|2,0,1]=4 2165 B10R1.17 O=CCNC1CCOCC1 34a_100000741149_200009817547 [0,0,0,1,0,0|2,0,1]=4 2166 B10R1.17 O=CCNC1CCSCC1 2230a_100000748639_200015260668 [0,0,0,1,0,0|2,0,1]=4 2167 B10R1.17 O=CCNC1CCSCC1 34a_100000748639_200009817547 [0,0,0,1,0,0|2,0,1]=4 2168 B10R1.17 O=CCOC1C=CCCC1 34a_100011215024_200009817547 [0,0,0,1,0,0|1,0,2]=4 2169 B10R1.17 O=CCOC1CC=CCC1 34a_100000073881_200009817547 [0,0,0,1,0,0|1,0,0]=2 2170 B10R1.17 O=CCOC1CCCCC1 34a_100000210231_200009817547 [0,0,0,1,0,0|1,0,2]=4 2171 B10R1.17 O=CCOC1CCCCC1 7a_100000210231_200015260668 [0,0,0,1,0,0|1,0,2]=4 2172 B10R1.17 O=CCOC1CCCOC1 34a_100000754041_200009817547 [0,0,0,1,0,0|2,0,1]=4 2173 B10R1.17 O=CCOC1CCCSC1 7a_100015962668_200015260668 [0,0,0,1,0,0|2,0,1]=4 2174 B10R1.17 O=CCOC1CCOCC1 34a_100000744328_200009817547 [0,0,0,1,0,0|2,0,1]=4 2175 B10R1.17 O=CCOC1CCSCC1 34a_100000731022_200009817547 [0,0,0,1,0,0|2,0,1]=4 2176 B10R1.17 O=CCOC1CCSCC1 7a_100000731022_200015260668 [0,0,0,1,0,0|2,0,1]=4 2177 B10R1.17 O=CCSC1C=CCCC1 62a_100000751183_200015260668 [0,0,0,1,0,0|1,0,2]=4 2178 B10R1.17 O=CCSC1C=CCCC1 62a_200015260668_100000751183 [0,0,0,1,0,0|1,0,2]=4 2179 B10R1.17 O=CCSC1CCCCC1 62a_100000210327_200015260668 [0,0,0,1,0,0|1,0,2]=4 2180 B10R1.17 O=CCSC1CCCCC1 62a_200015260668_100000210327 [0,0,0,1,0,0|1,0,2]=4 2181 B10R1.17 O=CCSC1CCCOC1 62a_200015260668_100000693364 [0,0,0,1,0,0|2,0,1]=4 2182 B10R1.17 O=CCSC1CCOCC1 62a_200015260668_100011324220 [0,0,0,1,0,0|2,0,1]=4 2183 B10R1.17 O=CCSC1CCSCC1 62a_200015260668_100000069128 [0,0,0,1,0,0|2,0,1]=4 2184 B10R1.17 OCCCN1CC=CCC1 2230a_100000698166_100000230001 [0,0,0,1,0,0|1,0,2]=4 2185 B10R1.17 OCCCN1CC=CCC1 269982a_100000698166_100011215043 [0,0,0,1,0,0|1,0,2]=4 2186 B10R1.17 OCCCN1CC=CCC1 34a_100000698166_100000230001 [0,0,0,1,0,0|1,0,2]=4 2187 B10R1.17 OCCOC1CC=CCC1 34a_100000073881_100000211926 [0,0,0,1,0,0|1,0,2]=4 2188 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,0,0,1,0,0|1,0,2]=4 2189 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,0,0,1,0,0|1,0,2]=4 2190 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,0,0,1,0,0|1,0,2]=4 2191 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,0,0,1,0,0|1,0,2]=4 2192 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,0,0,1,0,0|1,0,2]=4 2193 B10R1.21 CC/C=C\CN1CC=CC1 269982a_100015195280_100103147603 [0,0,0,1,0,0|2,0,1]=4 2194 B10R1.21 CC/C=C\CN1CCCC1 2230a_100000188435_100103147603 [0,0,0,1,0,0|2,0,1]=4 2195 B10R1.21 CC/C=C\CN1CCCC1 269982a_100000188435_100103147603 [0,0,0,1,0,0|2,0,1]=4 2196 B10R1.21 CC/C=C\CN1CCSC1 2230a_100011215254_100103147603 [0,0,0,1,0,0|3,0,0]=4 2197 B10R1.21 CC/C=C\CN1CCSC1 269982a_100011215254_100103147603 [0,0,0,1,0,0|3,0,0]=4 2198 B10R1.21 O=CCCCN1CC=CC1 269982a_100015195280_200011292268 [0,0,0,1,0,0|1,0,2]=4 2199 B10R1.21 O=CCCCN1CCCC1 2230a_100000188435_200011292268 [0,0,0,1,0,0|1,0,2]=4 2200 B10R1.21 O=CCCCN1CCCC1 269982a_100000188435_200011292268 [0,0,0,1,0,0|1,0,2]=4 2201 B10R1.21 O=CCCCN1CCSC1 2230a_100011215254_200011292268 [0,0,0,1,0,0|2,0,1]=4 2202 B10R1.21 O=CCCCN1CCSC1 269982a_100011215254_200011292268 [0,0,0,1,0,0|2,0,1]=4 2203 B10R1.21 O=CCNCC1CCCC1 2230a_100000737975_200015260668 [0,0,0,1,0,0|1,0,2]=4 2204 B10R1.21 O=CCNCC1CCCC1 34a_100000737975_200009817547 [0,0,0,1,0,0|1,0,2]=4 2205 B10R1.21 O=CCNCC1CCOC1 2230a_100000737293_200015260668 [0,0,0,1,0,0|2,0,1]=4 2206 B10R1.21 O=CCNCC1CCOC1 34a_100000737293_200009817547 [0,0,0,1,0,0|2,0,1]=4 2207 B10R1.21 O=CCNC[C@@H]1CCCO1 2230a_100020590478_200015260668 [0,0,0,1,0,0|2,0,1]=4 2208 B10R1.21 O=CCNC[C@@H]1CCCO1 34a_100020590478_200009817547 [0,0,0,1,0,0|2,0,1]=4 2209 B10R1.21 O=CCOCC1CC=CC1 34a_100000688395_200009817547 [0,0,0,1,0,0|1,0,2]=4 2210 B10R1.21 O=CCOCC1CCCC1 34a_100000742336_200009817547 [0,0,0,1,0,0|1,0,2]=4 2211 B10R1.21 O=CCOCC1CCCC1 7a_100000742336_200015260668 [0,0,0,1,0,0|1,0,2]=4 2212 B10R1.21 O=CCOCC1CCCO1 34a_100000210270_200009817547 [0,0,0,1,0,0|2,0,1]=4 2213 B10R1.21 O=CCOCC1CCCO1 7a_100000210270_200015260668 [0,0,0,1,0,0|2,0,1]=4 2214 B10R1.21 O=CCOCC1CCNC1 34a_100000748654_200009817547 [0,0,0,1,0,0|2,0,1]=4 2215 B10R1.21 O=CCOCC1CCOC1 34a_100000740260_200009817547 [0,0,0,1,0,0|2,0,1]=4 2216 B10R1.21 O=CCOC[C@H]1CCCN1 34a_100000745186_200009817547 [0,0,0,1,0,0|2,0,1]=4 2217 B10R1.21 O=CCSCC1CCCC1 62a_100000740388_200015260668 [0,0,0,1,0,0|1,0,2]=4 2218 B10R1.21 O=CCSCC1CCCC1 62a_200015260668_100000740388 [0,0,0,1,0,0|1,0,2]=4 2219 B10R1.21 O=CCSCC1CCCO1 62a_100000203698_200015260668 [0,0,0,1,0,0|2,0,1]=4 2220 B10R1.21 O=CCSCC1CCCO1 62a_200015260668_100000203698 [0,0,0,1,0,0|2,0,1]=4 2221 B10R1.21 O=CCSCC1CCOC1 62a_100000702531_200015260668 [0,0,0,1,0,0|2,0,1]=4 2222 B10R1.21 O=CCSCC1CCOC1 62a_200015260668_100000702531 [0,0,0,1,0,0|2,0,1]=4 2223 B10R1.29 CC1CCCC1OCC=O 34a_100011216460_200009817547 [0,0,0,1,0,0|1,0,2]=4 2224 B10R1.29 CC1CCCC1OCC=O 7a_100011216460_200015260668 [0,0,0,1,0,0|1,0,2]=4 2225 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [0,0,0,1,0,0|2,0,1]=4 2226 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [0,0,0,1,0,0|2,0,1]=4 2227 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [0,0,0,1,0,0|1,0,1]=3 2228 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [0,0,0,1,0,0|1,0,1]=3 2229 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [0,0,0,1,0,0|2,0,1]=4 2230 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [0,0,0,1,0,0|2,0,1]=4 2231 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [0,0,0,1,0,0|1,0,1]=3 2232 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [0,0,0,1,0,0|1,0,1]=3 2233 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [0,0,0,1,0,0|2,0,1]=4 2234 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [0,0,0,1,0,0|2,0,1]=4 2235 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [0,0,0,1,0,0|2,0,1]=4 2236 B10R1.29 CCSCN1CCCC1=O 62a_100000026320_100000210202 [0,0,0,1,0,0|2,0,1]=4 2237 B10R1.29 CCSCN1CCCC1=O 62a_100000210202_100000026320 [0,0,0,1,0,0|2,0,1]=4 2238 B10R1.29 COCSC1CCCC1=O 62a_100000211823_100000766300 [0,0,0,1,0,0|2,0,1]=4 2239 B10R1.29 COCSC1CCCC1=O 62a_100000766300_100000211823 [0,0,0,1,0,0|2,0,1]=4 2240 B10R1.29 CSCOC1CCCC1=O 34a_200000719330_100011218213 [0,0,0,1,0,0|2,0,1]=4 2241 B10R1.29 CSCSC1CCCC1=O 62a_100000211823_100011218213 [0,0,0,1,0,0|2,0,1]=4 2242 B10R1.29 CSCSC1CCCC1=O 62a_100011218213_100000211823 [0,0,0,1,0,0|2,0,1]=4 2243 B10R1.29 C[C@@H]1CNC[C@@H]1OCC=O 34a_200015306588_200009817547 [0,0,0,1,0,0|2,0,1]=4 2244 B10R1.29 NCCOC1CCCC1=O 34a_100000210304_100000709159 [0,0,0,1,0,0|2,0,1]=4 2245 B10R1.29 O=C1CCCC1NCCF 34a_100000724931_100000709159 [0,0,0,1,0,0|2,0,1]=4 2246 B10R1.29 O=C1CCCC1NCCO 2230a_100016997473_100000211823 [0,0,0,1,0,0|2,0,1]=4 2247 B10R1.29 O=C1CCCC1NCCO 34a_100016990907_100000709159 [0,0,0,1,0,0|2,0,1]=4 2248 B10R1.29 O=C1CCCC1OCCBr 34a_100000211926_100000709159 [0,0,0,1,0,0|2,0,1]=4 2249 B10R1.29 O=C1CCCC1OCCF 34a_200000719330_100011217306 [0,0,0,1,0,0|2,0,1]=4 2250 B10R1.29 O=C1CCCC1OCCO 34a_200000719330_100000211926 [0,0,0,1,0,0|2,0,1]=4 2251 B10R1.29 O=C1CCCC1SCCF 62a_100000211823_100011217306 [0,0,0,1,0,0|2,0,1]=4 2252 B10R1.29 O=C1CCCC1SCCF 62a_100011217306_100000211823 [0,0,0,1,0,0|2,0,1]=4 2253 B10R1.29 O=C1CCCC1SCCO 62a_100000211823_100000211926 [0,0,0,1,0,0|2,0,1]=4 2254 B10R1.29 O=C1CCCC1SCCO 62a_100000211926_100000211823 [0,0,0,1,0,0|2,0,1]=4 2255 B10R1.37 C/C=C/COC1CCC1=O 34a_100016270725_100009892977 [0,0,0,1,0,0|1,0,2]=4 2256 B10R1.37 C/C=C/CSC1CCC1=O 62a_100009892977_100102629194 [0,0,0,1,0,0|1,0,2]=4 2257 B10R1.37 C/C=C/CSC1CCC1=O 62a_100102629194_100009892977 [0,0,0,1,0,0|1,0,2]=4 2258 B10R1.37 CC/C=C\CN1CCC1C 269982a_100000755817_100103147603 [0,0,0,1,0,0|2,0,1]=4 2259 B10R1.37 CC/C=C\CN1CCC1C 34a_100000755817_100103147603 [0,0,0,1,0,0|2,0,1]=4 2260 B10R1.37 CC1CCN1CCCC=O 269982a_100000755817_200011292268 [0,0,0,1,0,0|1,0,2]=4 2261 B10R1.37 CC=CCSC1CCC1=O 62a_100000070051_100009892977 [0,0,0,1,0,0|1,0,2]=4 2262 B10R1.37 CC=CCSC1CCC1=O 62a_100009892977_100000070051 [0,0,0,1,0,0|1,0,2]=4 2263 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,0,0,1,0,0|1,0,2]=4 2264 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,0,0,1,0,0|1,0,2]=4 2265 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,0,0,1,0,0|1,0,2]=4 2266 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,0,0,1,0,0|1,0,2]=4 2267 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,0,0,1,0,0|1,0,2]=4 2268 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,0,0,1,0,0|1,0,1]=3 2269 B10R1.37 CCOCSC1CCC1=O 62a_100000739092_100009892977 [0,0,0,1,0,0|2,0,1]=4 2270 B10R1.37 CCOCSC1CCC1=O 62a_100009892977_100000739092 [0,0,0,1,0,0|2,0,1]=4 2271 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,0,0,1,0,0|1,0,1]=3 2272 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,0,0,1,0,0|1,0,1]=3 2273 B10R1.37 O=C1CCC1CCSCF 62a_100015361967_200016118888 [0,0,0,1,0,0|2,0,1]=4 2274 B10R1.37 O=C1CCC1CCSCF 62a_200016118888_100015361967 [0,0,0,1,0,0|2,0,1]=4 2275 B10R1.56 CC/C=C\CN[C@@H]1C[C@@H]1F 2230a_100015190264_100103147603 [0,0,0,1,0,0|2,0,1]=4 2276 B10R1.56 CC/C=C\CN[C@@H]1C[C@H]1F 2230a_100025746932_100103147603 [0,0,0,1,0,0|2,0,1]=4 2277 B10R1.56 CC/C=C\CN[C@@H]1C[C@H]1F 34a_100025746932_100103147603 [0,0,0,1,0,0|2,0,1]=4 2278 B10R1.57 C=CCCCCN1CCC1 269982a_100000754969_100011215482 [0,0,0,1,0,0|2,0,1]=4 2279 B10R1.57 CC/C=C\CCN1CCC1 269982a_100000754969_100015370543 [0,0,0,1,0,0|2,0,1]=4 2280 B10R1.57 CC/C=C\CNC1CCC1 2230a_100000749019_100103147603 [0,0,0,1,0,0|2,0,1]=4 2281 B10R1.57 CC/C=C\CNC1CCC1 34a_100000749019_100103147603 [0,0,0,1,0,0|2,0,1]=4 2282 B10R1.57 CC/C=C\CNC1COC1 2230a_100016991112_100103147603 [0,0,0,1,0,0|3,0,0]=4 2283 B10R1.57 CC/C=C\COC1CCC1 34a_100000748187_100103147603 [0,0,0,1,0,0|2,0,1]=4 2284 B10R1.57 CC/C=C\COC1CCC1 34a_100016268518_100000749161 [0,0,0,1,0,0|2,0,1]=4 2285 B10R1.57 CC/C=C\COC1COC1 34a_100016268518_100009818527 [0,0,0,1,0,0|3,0,0]=4 2286 B10R1.57 CC/C=C\COC1CSC1 7a_100000072292_100103147603 [0,0,0,1,0,0|3,0,0]=4 2287 B10R1.57 CC/C=C\CSC1CCC1 62a_100103147603_100000749161 [0,0,0,1,0,0|2,0,1]=4 2288 B10R1.57 CC/C=C\CSC1COC1 62a_100103147603_100009818527 [0,0,0,1,0,0|3,0,0]=4 2289 B10R1.57 O=CCCCCN1CCC1 269982a_100000754969_100000139335 [0,0,0,1,0,0|1,0,1]=3 2290 B10R1.57 O=CCCCNC1CCC1 2230a_100000749019_200011292268 [0,0,0,1,0,0|1,0,2]=4 2291 B10R1.57 O=CCCCSC1CCC1 62a_200011292268_100000749161 [0,0,0,1,0,0|1,0,2]=4 2292 B10R1.85 O=CCN1CCCCCC1 2230a_100000185865_200015260668 [0,0,0,1,0,0|1,0,2]=4 2293 B10R1.85 O=CCN1CCCCCC1 269982a_100000185865_200015260668 [0,0,0,1,0,0|1,0,2]=4 2294 B10R1.85 O=CCN1CCCCCC1 34a_100000185865_200009817547 [0,0,0,1,0,0|1,0,2]=4 2295 B10R1.85 O=CCN1CCCOCC1 2230a_100000685342_200015260668 [0,0,0,1,0,0|2,0,1]=4 2296 B10R1.85 O=CCN1CCCOCC1 269982a_100000685342_200015260668 [0,0,0,1,0,0|2,0,1]=4 2297 B10R1.85 O=CCN1CCCOCC1 34a_100000685342_200009817547 [0,0,0,1,0,0|2,0,1]=4 2298 B10R1.161 CNC1CC/C=C\CCC1 34a_100102657272_100021000466 [0,0,0,1,0,0|2,0,0]=3 2299 B10R1.161 CNC1CC/C=C\CCC1 7a_106832991635_100021000466 [0,0,0,1,0,0|2,0,0]=3 2300 B10R1.161 COC1CC/C=C\CCC1 34a_100016989180_200000210301 [0,0,0,1,0,0|2,0,0]=3 2301 B10R1.161 COC1CC/C=C\CCC1 34a_100138415774_100021000466 [0,0,0,1,0,0|2,0,0]=3 2302 B10R1.161 CSC1CC/C=C\CCC1 62a_100021000466_200000210301 [0,0,0,1,0,0|2,0,0]=3 2303 B10R1.161 CSC1CC/C=C\CCC1 62a_200000210301_100021000466 [0,0,0,1,0,0|2,0,0]=3 2304 B10R1.161 [13CH3]OC1CC/C=C\CCC1 34a_100016989180_200025704644 [0,0,0,1,0,0|2,0,0]=3 2305 B10R1.161 [13CH3]SC1CC/C=C\CCC1 62a_100021000466_200025704644 [0,0,0,1,0,0|2,0,0]=3 2306 B10R1.161 [13CH3]SC1CC/C=C\CCC1 62a_200025704644_100021000466 [0,0,0,1,0,0|2,0,0]=3 2307 B10R1.177 C=CCCCCNC1CC1 34a_100000212008_100011215482 [0,0,0,1,0,0|2,0,1]=4 2308 B10R1.177 C=CCCCCNC1CC1 34a_100000703577_100000211595 [0,0,0,1,0,0|2,0,1]=4 2309 B10R1.177 C=CCCCCOC1CC1 34a_100000766645_100000211595 [0,0,0,1,0,0|2,0,1]=4 2310 B10R1.177 C=CCCCCSC1CC1 62a_100011215482_100000211595 [0,0,0,1,0,0|2,0,1]=4 2311 B10R1.177 CC/C=C\CCNC1CC1 34a_100000212008_100015370543 [0,0,0,1,0,0|2,0,1]=4 2312 B10R1.177 CC/C=C\CCOC1CC1 34a_100016288707_100000211595 [0,0,0,1,0,0|2,0,1]=4 2313 B10R1.177 CC/C=C\CCSC1CC1 62a_100015370543_100000211595 [0,0,0,1,0,0|2,0,1]=4 2314 B10R1.177 CC/C=C\CNCC1CC1 2230a_100000735609_100103147603 [0,0,0,1,0,0|2,0,1]=4 2315 B10R1.177 CC/C=C\CNCC1CC1 34a_100000735609_100103147603 [0,0,0,1,0,0|2,0,1]=4 2316 B10R1.177 CC/C=C\COCC1CC1 34a_100000211283_100103147603 [0,0,0,1,0,0|2,0,1]=4 2317 B10R1.177 CC/C=C\COCC1CC1 34a_100016268518_100000742324 [0,0,0,1,0,0|2,0,1]=4 2318 B10R1.177 CC/C=C\COCC1CO1 34a_100016268518_102125554688 [0,0,0,1,0,0|1,0,2]=4 2319 B10R1.177 CC/C=C\COC[C@@H]1CO1 34a_100000757423_100103147603 [0,0,0,1,0,0|1,0,2]=4 2320 B10R1.177 CC/C=C\CSCC1CC1 62a_100000756562_100103147603 [0,0,0,1,0,0|2,0,1]=4 2321 B10R1.177 CC/C=C\CSCC1CC1 62a_100103147603_100000742324 [0,0,0,1,0,0|2,0,1]=4 2322 B10R1.177 CC/C=C\CSCC1CO1 62a_100103147603_102125554688 [0,0,0,1,0,0|1,0,2]=4 2323 B10R1.177 CC/C=C\CSCC1CO1 62a_102125554688_100103147603 [0,0,0,1,0,0|1,0,2]=4 2324 B10R1.177 CC/C=C\CSCC1CS1 62a_100000031435_100103147603 [0,0,0,1,0,0|1,1,1]=4 2325 B10R1.177 CC/C=C\CSCC1CS1 62a_100103147603_100000031435 [0,0,0,1,0,0|1,1,1]=4 2326 B10R1.177 CC/C=C\CSC[C@@H]1CO1 62a_100000745022_100103147603 [0,0,0,1,0,0|1,0,2]=4 2327 B10R1.177 CC/C=C\CSC[C@@H]1CO1 62a_100103147603_100000745022 [0,0,0,1,0,0|1,0,2]=4 2328 B10R1.177 O=CCCCCSC1CC1 62a_100000139335_100000211595 [0,0,0,1,0,0|1,0,1]=3 2329 B10R1.177 O=CCCCNCC1CC1 2230a_100000735609_200011292268 [0,0,0,1,0,0|1,0,2]=4 2330 B10R1.177 O=CCCCSCC1CC1 62a_100000756562_200011292268 [0,0,0,1,0,0|1,0,2]=4 2331 B10R1.177 O=CCCCSCC1CC1 62a_200011292268_100000742324 [0,0,0,1,0,0|1,0,2]=4 2332 B10R1.177 O=CCOCCNC1CC1 34a_100000738766_200009817547 [0,0,0,1,0,0|2,0,1]=4 2333 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [2,0,0,0,0,0|1,0,1]=4 2334 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [2,0,0,0,0,0|2,0,0]=4 2335 B7R0.1 C/C=C/CNCCF 34a_100000724931_100102629194 [2,0,0,0,0,0|2,0,0]=4 2336 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [2,0,0,0,0,0|1,0,1]=4 2337 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [2,0,0,0,0,0|1,0,0]=3 2338 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [2,0,0,0,0,0|2,0,0]=4 2339 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [2,0,0,0,0,0|1,0,1]=4 2340 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [2,0,0,0,0,0|1,0,1]=4 2341 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [2,0,0,0,0,0|2,0,0]=4 2342 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [2,0,0,0,0,0|2,0,0]=4 2343 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [2,0,0,0,0,0|1,0,1]=4 2344 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [2,0,0,0,0,0|1,0,0]=3 2345 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [2,0,0,0,0,0|1,0,0]=3 2346 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [2,0,0,0,0,0|1,0,1]=4 2347 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [2,0,0,0,0,0|1,0,1]=4 2348 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [2,0,0,0,0,0|2,0,0]=4 2349 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [2,0,0,0,0,0|2,0,0]=4 2350 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [2,0,0,0,0,0|1,0,1]=4 2351 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [2,0,0,0,0,0|1,0,1]=4 2352 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [2,0,0,0,0,0|2,0,0]=4 2353 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [2,0,0,0,0,0|2,0,0]=4 2354 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [2,0,0,0,0,0|2,0,0]=4 2355 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [2,0,0,0,0,0|2,0,0]=4 2356 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [2,0,0,0,0,0|2,0,0]=4 2357 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [2,0,0,0,0,0|2,0,0]=4 2358 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [2,0,0,0,0,0|2,0,0]=4 2359 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [2,0,0,0,0,0|2,0,0]=4 2360 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [2,0,0,0,0,0|2,0,0]=4 2361 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [2,0,0,0,0,0|2,0,0]=4 2362 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [2,0,0,0,0,0|2,0,0]=4 2363 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [2,0,0,0,0,0|2,0,0]=4 2364 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [2,0,0,0,0,0|2,0,0]=4 2365 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [2,0,0,0,0,0|2,0,0]=4 2366 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [2,0,0,0,0,0|2,0,0]=4 2367 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [2,0,0,0,0,0|2,0,0]=4 2368 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [2,0,0,0,0,0|1,0,1]=4 2369 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [2,0,0,0,0,0|1,0,1]=4 2370 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [2,0,0,0,0,0|1,0,1]=4 2371 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [2,0,0,0,0,0|1,0,1]=4 2372 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [2,0,0,0,0,0|1,0,1]=4 2373 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [2,0,0,0,0,0|1,0,1]=4 2374 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [2,0,0,0,0,0|1,0,1]=4 2375 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [2,0,0,0,0,0|1,0,1]=4 2376 B7R0.1 C=CCCNCC=C 2230a_100015191253_100000210623 [2,0,0,0,0,0|2,0,0]=4 2377 B7R0.1 C=CCCNCC=C 2230a_100020586998_100000754431 [2,0,0,0,0,0|2,0,0]=4 2378 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [2,0,0,0,0,0|1,0,0]=3 2379 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [2,0,0,0,0,0|2,0,0]=4 2380 B7R0.1 C=CCCOCC=C 34a_100011205117_100015514636 [2,0,0,0,0,0|2,0,0]=4 2381 B7R0.1 C=CCCOCC=C 34a_200000210373_100000754431 [2,0,0,0,0,0|2,0,0]=4 2382 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [2,0,0,0,0,0|1,0,0]=3 2383 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [2,0,0,0,0,0|2,0,0]=4 2384 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [2,0,0,0,0,0|2,0,0]=4 2385 B7R0.1 C=CCCSCC=C 62a_100000210623_100000754431 [2,0,0,0,0,0|2,0,0]=4 2386 B7R0.1 C=CCCSCC=C 62a_100000754431_100000210623 [2,0,0,0,0,0|2,0,0]=4 2387 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [2,0,0,0,0,0|1,0,0]=3 2388 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [2,0,0,0,0,0|1,0,0]=3 2389 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [2,0,0,0,0,0|2,0,0]=4 2390 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [2,0,0,0,0,0|2,0,0]=4 2391 B7R0.1 C=CCNCC=CC 2230a_100020586998_100000070051 [2,0,0,0,0,0|1,0,1]=4 2392 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [2,0,0,0,0,0|2,0,0]=4 2393 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [2,0,0,0,0,0|2,0,0]=4 2394 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [2,0,0,0,0,0|2,0,0]=4 2395 B7R0.1 C=CCOC/C=C/C 34a_100016270725_100015514636 [2,0,0,0,0,0|1,0,1]=4 2396 B7R0.1 C=CCOC/C=C/C 34a_200000210373_100102629194 [2,0,0,0,0,0|1,0,1]=4 2397 B7R0.1 C=CCOCC=CC 34a_200000210373_100000070051 [2,0,0,0,0,0|1,0,1]=4 2398 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [2,0,0,0,0,0|2,0,0]=4 2399 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [2,0,0,0,0,0|2,0,0]=4 2400 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [2,0,0,0,0,0|2,0,0]=4 2401 B7R0.1 C=CCSC/C=C/C 62a_100000210623_100102629194 [2,0,0,0,0,0|1,0,1]=4 2402 B7R0.1 C=CCSC/C=C/C 62a_100102629194_100000210623 [2,0,0,0,0,0|1,0,1]=4 2403 B7R0.1 C=CCSCC=CC 62a_100000070051_100000210623 [2,0,0,0,0,0|1,0,1]=4 2404 B7R0.1 C=CCSCC=CC 62a_100000210623_100000070051 [2,0,0,0,0,0|1,0,1]=4 2405 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [2,0,0,0,0,0|2,0,0]=4 2406 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [2,0,0,0,0,0|2,0,0]=4 2407 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [2,0,0,0,0,0|1,0,0]=3 2408 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [2,0,0,0,0,0|1,0,0]=3 2409 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [2,0,0,0,0,0|1,0,0]=3 2410 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [2,0,0,0,0,0|1,0,0]=3 2411 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [2,0,0,0,0,0|1,0,0]=3 2412 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [2,0,0,0,0,0|1,0,0]=3 2413 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [2,0,0,0,0,0|1,0,0]=3 2414 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [2,0,0,0,0,0|1,0,0]=3 2415 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [2,0,0,0,0,0|1,0,0]=3 2416 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [2,0,0,0,0,0|1,0,0]=3 2417 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [2,0,0,0,0,0|1,0,0]=3 2418 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [2,0,0,0,0,0|1,0,0]=3 2419 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [2,0,0,0,0,0|1,0,0]=3 2420 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [2,0,0,0,0,0|1,0,0]=3 2421 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [2,0,0,0,0,0|1,0,0]=3 2422 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [2,0,0,0,0,0|2,0,0]=4 2423 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [2,0,0,0,0,0|1,0,0]=3 2424 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [2,0,0,0,0,0|1,0,0]=3 2425 B7R0.1 CC/C=C\CSCF 62a_100015361967_100103147603 [2,0,0,0,0,0|2,0,0]=4 2426 B7R0.1 CC/C=C\CSCF 62a_100103147603_100015361967 [2,0,0,0,0,0|2,0,0]=4 2427 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [2,0,0,0,0,0|1,0,1]=4 2428 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [2,0,0,0,0,0|1,0,1]=4 2429 B7R0.1 CC=CCNCCF 34a_100000724931_100000070051 [2,0,0,0,0,0|2,0,0]=4 2430 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [2,0,0,0,0,0|1,0,1]=4 2431 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [2,0,0,0,0,0|1,0,1]=4 2432 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [2,0,0,0,0,0|2,0,0]=4 2433 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [2,0,0,0,0,0|1,0,1]=4 2434 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [2,0,0,0,0,0|2,0,0]=4 2435 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [2,0,0,0,0,0|1,0,0]=3 2436 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [2,0,0,0,0,0|1,0,0]=3 2437 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [2,0,0,0,0,0|1,0,1]=4 2438 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [2,0,0,0,0,0|1,0,1]=4 2439 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [2,0,0,0,0,0|2,0,0]=4 2440 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [2,0,0,0,0,0|2,0,0]=4 2441 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [2,0,0,0,0,0|1,0,1]=4 2442 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [2,0,0,0,0,0|1,0,1]=4 2443 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [2,0,0,0,0,0|2,0,0]=4 2444 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [2,0,0,0,0,0|2,0,0]=4 2445 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [2,0,0,0,0,0|2,0,0]=4 2446 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [2,0,0,0,0,0|2,0,0]=4 2447 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [2,0,0,0,0,0|2,0,0]=4 2448 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [2,0,0,0,0,0|2,0,0]=4 2449 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [2,0,0,0,0,0|2,0,0]=4 2450 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [2,0,0,0,0,0|2,0,0]=4 2451 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [2,0,0,0,0,0|2,0,0]=4 2452 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [2,0,0,0,0,0|2,0,0]=4 2453 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [2,0,0,0,0,0|2,0,0]=4 2454 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [2,0,0,0,0,0|2,0,0]=4 2455 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [2,0,0,0,0,0|2,0,0]=4 2456 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [2,0,0,0,0,0|2,0,0]=4 2457 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [2,0,0,0,0,0|2,0,0]=4 2458 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [2,0,0,0,0,0|1,0,1]=4 2459 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [2,0,0,0,0,0|1,0,1]=4 2460 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|1,0,1]=4 2461 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|1,0,1]=4 2462 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|1,0,1]=4 2463 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [2,0,0,0,0,0|1,0,1]=4 2464 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [2,0,0,0,0,0|1,0,1]=4 2465 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [2,0,0,0,0,0|1,0,0]=3 2466 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [2,0,0,0,0,0|1,0,0]=3 2467 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [2,0,0,0,0,0|1,0,1]=4 2468 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [2,0,0,0,0,0|1,0,1]=4 2469 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [2,0,0,0,0,0|1,0,0]=3 2470 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [2,0,0,0,0,0|1,0,0]=3 2471 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [2,0,0,0,0,0|1,0,1]=4 2472 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [2,0,0,0,0,0|1,0,1]=4 2473 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [2,0,0,0,0,0|1,0,1]=4 2474 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [2,0,0,0,0,0|1,0,0]=3 2475 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [2,0,0,0,0,0|1,0,0]=3 2476 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [2,0,0,0,0,0|1,0,1]=4 2477 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [2,0,0,0,0,0|1,0,1]=4 2478 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [2,0,0,0,0,0|1,0,0]=3 2479 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [2,0,0,0,0,0|2,0,0]=4 2480 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [2,0,0,0,0,0|1,0,1]=4 2481 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [2,0,0,0,0,0|1,0,1]=4 2482 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [2,0,0,0,0,0|1,0,1]=4 2483 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [2,0,0,0,0,0|2,0,0]=4 2484 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [2,0,0,0,0,0|2,0,0]=4 2485 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [2,0,0,0,0,0|2,0,0]=4 2486 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [2,0,0,0,0,0|2,0,0]=4 2487 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [2,0,0,0,0,0|2,0,0]=4 2488 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [2,0,0,0,0,0|2,0,0]=4 2489 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [2,0,0,0,0,0|2,0,0]=4 2490 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [2,0,0,0,0,0|2,0,0]=4 2491 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [2,0,0,0,0,0|1,0,1]=4 2492 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [2,0,0,0,0,0|2,0,0]=4 2493 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [2,0,0,0,0,0|2,0,0]=4 2494 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [2,0,0,0,0,0|1,0,0]=3 2495 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [2,0,0,0,0,0|1,0,0]=3 2496 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [2,0,0,0,0,0|2,0,0]=4 2497 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [2,0,0,0,0,0|2,0,0]=4 2498 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [2,0,0,0,0,0|1,0,1]=4 2499 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [2,0,0,0,0,0|1,0,1]=4 2500 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [2,0,0,0,0,0|1,0,0]=3 2501 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [2,0,0,0,0,0|1,0,0]=3 2502 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [2,0,0,0,0,0|2,0,0]=4 2503 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [2,0,0,0,0,0|2,0,0]=4 2504 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [2,0,0,0,0,0|2,0,0]=4 2505 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [2,0,0,0,0,0|2,0,0]=4 2506 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [2,0,0,0,0,0|1,0,0]=3 2507 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [2,0,0,0,0,0|1,0,0]=3 2508 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [2,0,0,0,0,0|2,0,0]=4 2509 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [2,0,0,0,0,0|2,0,0]=4 2510 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [2,0,0,0,0,0|2,0,0]=4 2511 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [2,0,0,0,0,0|2,0,0]=4 2512 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [2,0,0,0,0,0|2,0,0]=4 2513 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [2,0,0,0,0,0|2,0,0]=4 2514 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [2,0,0,0,0,0|2,0,0]=4 2515 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [2,0,0,0,0,0|2,0,0]=4 2516 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [2,0,0,0,0,0|2,0,0]=4 2517 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [2,0,0,0,0,0|2,0,0]=4 2518 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [2,0,0,0,0,0|2,0,0]=4 2519 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [2,0,0,0,0,0|2,0,0]=4 2520 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [2,0,0,0,0,0|2,0,0]=4 2521 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [2,0,0,0,0,0|2,0,0]=4 2522 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [2,0,0,0,0,0|2,0,0]=4 2523 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [2,0,0,0,0,0|2,0,0]=4 2524 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [2,0,0,0,0,0|2,0,0]=4 2525 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [2,0,0,0,0,0|1,0,0]=3 2526 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [2,0,0,0,0,0|1,0,0]=3 2527 B9R0.2 C/C=C/CCOCC(=O)N 34a_100016278192_100000187820 [1,1,0,0,0,0|1,0,0]=3 2528 B9R0.2 C/C=C/CCOCC(=O)[O-] 34a_100016278192_100020667443 [1,1,0,0,0,0|1,0,0]=3 2529 B9R0.2 C/C=C/CCOC[N+](=O)[O-] 34a_100016278192_100000761209 [1,1,0,0,0,0|2,0,0]=4 2530 B9R0.2 C/C=C/CNOCC(=O)O 269956a_100000106656_100102629194 [1,1,0,0,0,0|2,0,0]=4 2531 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [1,1,0,0,0,0|1,0,0]=3 2532 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [1,1,0,0,0,0|1,0,0]=3 2533 B9R0.2 C/C=C/COCCC(=O)N 34a_100000757172_100102629194 [1,1,0,0,0,0|1,0,0]=3 2534 B9R0.2 C/C=C/COCCC(=O)N 34a_100016270725_100000731001 [1,1,0,0,0,0|1,0,0]=3 2535 B9R0.2 C/C=C/COCCC(=O)N 7a_100000757172_100102629194 [1,1,0,0,0,0|1,0,0]=3 2536 B9R0.2 C/C=C/COCOC(=O)C 34a_100016270725_100009813279 [1,1,0,0,0,0|2,0,0]=4 2537 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [1,1,0,0,0,0|1,0,0]=3 2538 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [1,1,0,0,0,0|1,0,0]=3 2539 B9R0.2 C/C=C/CSCCC(=O)N 62a_100000744528_100102629194 [1,1,0,0,0,0|1,0,0]=3 2540 B9R0.2 C/C=C/CSCCC(=O)N 62a_100102629194_100000744528 [1,1,0,0,0,0|1,0,0]=3 2541 B9R0.2 C/C=C/CSCOC(=O)C 62a_100000076356_100102629194 [1,1,0,0,0,0|2,0,0]=4 2542 B9R0.2 C/C=C/CSCOC(=O)C 62a_100102629194_100000076356 [1,1,0,0,0,0|2,0,0]=4 2543 B9R0.2 C=C(Br)CCOC/C=C/C 34a_100009813270_100102629194 [1,1,0,0,0,0|2,0,0]=4 2544 B9R0.2 C=C(Br)CCOCC=CC 34a_100009813270_100000070051 [1,1,0,0,0,0|2,0,0]=4 2545 B9R0.2 C=C(C)CCOC/C=C/C 34a_100000764851_100102629194 [1,1,0,0,0,0|2,0,0]=4 2546 B9R0.2 C=C(C)CCOC/C=C/C 34a_100016270725_100000730704 [1,1,0,0,0,0|2,0,0]=4 2547 B9R0.2 C=C(C)CCOCC=CC 34a_100000764851_100000070051 [1,1,0,0,0,0|2,0,0]=4 2548 B9R0.2 C=C(C)CCSC/C=C/C 62a_100000730704_100102629194 [1,1,0,0,0,0|2,0,0]=4 2549 B9R0.2 C=C(C)CCSC/C=C/C 62a_100102629194_100000730704 [1,1,0,0,0,0|2,0,0]=4 2550 B9R0.2 C=C(C)CCSCC=CC 62a_100000070051_100000730704 [1,1,0,0,0,0|2,0,0]=4 2551 B9R0.2 C=C(C)CCSCC=CC 62a_100000730704_100000070051 [1,1,0,0,0,0|2,0,0]=4 2552 B9R0.2 C=C(C)COC/C=C\CC 34a_100000210245_100103147603 [1,1,0,0,0,0|1,0,1]=4 2553 B9R0.2 C=C(C)COC/C=C\CC 34a_100016268518_100000748629 [1,1,0,0,0,0|1,0,1]=4 2554 B9R0.2 C=C(C)COCC/C=C/C 34a_100016278192_100000748629 [1,1,0,0,0,0|2,0,0]=4 2555 B9R0.2 C=C(C)CSC/C=C\CC 62a_100000748629_100103147603 [1,1,0,0,0,0|1,0,1]=4 2556 B9R0.2 C=C(C)CSC/C=C\CC 62a_100103147603_100000211660 [1,1,0,0,0,0|1,0,1]=4 2557 B9R0.2 C=C(C)CSCCCC=O 62a_100000748629_200011292268 [1,1,0,0,0,0|1,0,1]=4 2558 B9R0.2 C=C(C)CSCCCC=O 62a_200011292268_100000211660 [1,1,0,0,0,0|1,0,1]=4 2559 B9R0.2 C=C(F)COC/C=C\CC 34a_100016268518_100009893438 [1,1,0,0,0,0|1,0,1]=4 2560 B9R0.2 C=C(F)COC/C=C\CC 34a_200010262243_100103147603 [1,1,0,0,0,0|1,0,1]=4 2561 B9R0.2 C=C(F)COCC/C=C/C 34a_100016278192_100009893438 [1,1,0,0,0,0|2,0,0]=4 2562 B9R0.2 C=C(F)CSC/C=C\CC 62a_100000042424_100103147603 [1,1,0,0,0,0|1,0,1]=4 2563 B9R0.2 C=C(F)CSC/C=C\CC 62a_100103147603_100000042424 [1,1,0,0,0,0|1,0,1]=4 2564 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [1,1,0,0,0,0|0,0,2]=4 2565 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [1,1,0,0,0,0|0,0,2]=4 2566 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [1,1,0,0,0,0|0,0,2]=4 2567 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [1,1,0,0,0,0|2,0,0]=4 2568 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [1,1,0,0,0,0|2,0,0]=4 2569 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [1,1,0,0,0,0|2,0,0]=4 2570 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [1,1,0,0,0,0|2,0,0]=4 2571 B9R0.2 C=CCCCCNC(C)C 2230a_100000703577_100000210206 [1,1,0,0,0,0|2,0,0]=4 2572 B9R0.2 C=CCCCCNC(C)C 2230a_100138425928_100011215482 [1,1,0,0,0,0|2,0,0]=4 2573 B9R0.2 C=CCCCCNC(C)C 34a_100000703577_100000210206 [1,1,0,0,0,0|2,0,0]=4 2574 B9R0.2 C=CCCCCNC(C)C 34a_100138425928_100011215482 [1,1,0,0,0,0|2,0,0]=4 2575 B9R0.2 C=CCCCCOC(C)C 34a_100000212225_100011215482 [1,1,0,0,0,0|2,0,0]=4 2576 B9R0.2 C=CCCCCOC(C)C 34a_100000766645_100000210206 [1,1,0,0,0,0|2,0,0]=4 2577 B9R0.2 C=CCCCCOC(C)C 7a_100000766645_100000210206 [1,1,0,0,0,0|2,0,0]=4 2578 B9R0.2 C=CCCCCSC(C)C 62a_100000210206_100011215482 [1,1,0,0,0,0|2,0,0]=4 2579 B9R0.2 C=CCCCCSC(C)C 62a_100011215482_100000210206 [1,1,0,0,0,0|2,0,0]=4 2580 B9R0.2 C=CCCNCC=C(C)C 2230a_100015191253_100000761012 [1,1,0,0,0,0|2,0,0]=4 2581 B9R0.2 C=CCCNCC=C(C)C 34a_100000718196_100000754431 [1,1,0,0,0,0|2,0,0]=4 2582 B9R0.2 C=CCCOCC=C(C)C 34a_100000753907_100000754431 [1,1,0,0,0,0|2,0,0]=4 2583 B9R0.2 C=CCCOCC=C(C)C 34a_100011205117_100000761012 [1,1,0,0,0,0|2,0,0]=4 2584 B9R0.2 C=CCCSCC=C(C)C 62a_100000754431_100000761012 [1,1,0,0,0,0|2,0,0]=4 2585 B9R0.2 C=CCCSCC=C(C)C 62a_100000761012_100000754431 [1,1,0,0,0,0|2,0,0]=4 2586 B9R0.2 C=CCNCCC=C(C)C 2230a_100020586998_100011217483 [1,1,0,0,0,0|2,0,0]=4 2587 B9R0.2 C=CCOCCC=C(C)C 34a_200000210373_100011217483 [1,1,0,0,0,0|2,0,0]=4 2588 B9R0.2 C=CCSCCC=C(C)C 62a_100000210623_100011217483 [1,1,0,0,0,0|2,0,0]=4 2589 B9R0.2 C=CCSCCC=C(C)C 62a_100011217483_100000210623 [1,1,0,0,0,0|2,0,0]=4 2590 B9R0.2 CC(=CCCSCC=O)C 62a_100011217483_200015260668 [1,1,0,0,0,0|1,0,0]=3 2591 B9R0.2 CC(=CCCSCC=O)C 62a_200015260668_100011217483 [1,1,0,0,0,0|1,0,0]=3 2592 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,1,0,0,0,0|1,0,1]=4 2593 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,1,0,0,0,0|1,0,1]=4 2594 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,1,0,0,0,0|1,0,1]=4 2595 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [1,1,0,0,0,0|2,0,0]=4 2596 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [1,1,0,0,0,0|2,0,0]=4 2597 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [1,1,0,0,0,0|1,0,1]=4 2598 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [1,1,0,0,0,0|1,0,1]=4 2599 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [1,1,0,0,0,0|1,0,1]=4 2600 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [1,1,0,0,0,0|1,0,1]=4 2601 B9R0.2 CC(=O)NCCNCC=O 2230a_100000209853_200015260668 [1,1,0,0,0,0|2,0,0]=4 2602 B9R0.2 CC(=O)NCCOCC=O 34a_100000158858_200009817547 [1,1,0,0,0,0|2,0,0]=4 2603 B9R0.2 CC(=O)NCCSCC=O 62a_100000189650_200015260668 [1,1,0,0,0,0|2,0,0]=4 2604 B9R0.2 CC(=O)NCCSCC=O 62a_200015260668_100000189650 [1,1,0,0,0,0|2,0,0]=4 2605 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [1,1,0,0,0,0|2,0,0]=4 2606 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [1,1,0,0,0,0|2,0,0]=4 2607 B9R0.2 CC(C)CCCNCC=O 2230a_200000737386_200015260668 [1,1,0,0,0,0|1,0,1]=4 2608 B9R0.2 CC(C)CCCNCC=O 34a_200000737386_200009817547 [1,1,0,0,0,0|1,0,1]=4 2609 B9R0.2 CC(C)CCCOCC=O 34a_100000210774_200009817547 [1,1,0,0,0,0|1,0,1]=4 2610 B9R0.2 CC(C)CCCOCC=O 7a_100000210774_200015260668 [1,1,0,0,0,0|1,0,1]=4 2611 B9R0.2 CC(C)CCCSCC=O 62a_100011214892_200015260668 [1,1,0,0,0,0|1,0,1]=4 2612 B9R0.2 CC(C)CCCSCC=O 62a_200015260668_100011214892 [1,1,0,0,0,0|1,0,1]=4 2613 B9R0.2 CC(C)CNCCCC=O 2230a_100000210953_200011292268 [1,1,0,0,0,0|1,0,1]=4 2614 B9R0.2 CC(C)CSCCCC=O 62a_100000210624_200011292268 [1,1,0,0,0,0|1,0,1]=4 2615 B9R0.2 CC(C)CSCCCC=O 62a_200011292268_100000210760 [1,1,0,0,0,0|1,0,1]=4 2616 B9R0.2 CC(C)NCCCCC=O 2230a_100138425928_100000139335 [1,1,0,0,0,0|1,0,0]=3 2617 B9R0.2 CC(C)NCCOCC=O 34a_100000224655_200009817547 [1,1,0,0,0,0|2,0,0]=4 2618 B9R0.2 CC(C)OCCNCC=O 2230a_100000701111_200015260668 [1,1,0,0,0,0|2,0,0]=4 2619 B9R0.2 CC(C)OCCNCC=O 34a_100000701111_200009817547 [1,1,0,0,0,0|2,0,0]=4 2620 B9R0.2 CC(C)OCCOCC=O 34a_100000211219_200009817547 [1,1,0,0,0,0|2,0,0]=4 2621 B9R0.2 CC(C)OCCOCC=O 7a_100000211219_200015260668 [1,1,0,0,0,0|2,0,0]=4 2622 B9R0.2 CC(C)OCCSCC=O 62a_100000211751_200015260668 [1,1,0,0,0,0|2,0,0]=4 2623 B9R0.2 CC(C)OCCSCC=O 62a_200015260668_100000211751 [1,1,0,0,0,0|2,0,0]=4 2624 B9R0.2 CC(C)SCCCCC=O 62a_100000139335_100000210206 [1,1,0,0,0,0|1,0,0]=3 2625 B9R0.2 CC(C)SCCCCC=O 62a_100000210206_100000139335 [1,1,0,0,0,0|1,0,0]=3 2626 B9R0.2 CC(C)SCCNCC=O 2230a_100000731138_200015260668 [1,1,0,0,0,0|2,0,0]=4 2627 B9R0.2 CC(C)SCCNCC=O 34a_100000731138_200009817547 [1,1,0,0,0,0|2,0,0]=4 2628 B9R0.2 CC(C)SCCOCC=O 34a_200011212901_200009817547 [1,1,0,0,0,0|2,0,0]=4 2629 B9R0.2 CC(C)SCCOCC=O 7a_200011212901_200015260668 [1,1,0,0,0,0|2,0,0]=4 2630 B9R0.2 CC(C)SCCSCC=O 62a_100000730970_200015260668 [1,1,0,0,0,0|2,0,0]=4 2631 B9R0.2 CC(C)SCCSCC=O 62a_200015260668_100000730970 [1,1,0,0,0,0|2,0,0]=4 2632 B9R0.2 CC(O)CCCSCC=O 62a_200000718107_200015260668 [1,1,0,0,0,0|1,0,1]=4 2633 B9R0.2 CC(O)CCCSCC=O 62a_200015260668_200000718107 [1,1,0,0,0,0|1,0,1]=4 2634 B9R0.2 CC(O)CNCCCC=O 2230a_100000210904_200011292268 [1,1,0,0,0,0|1,0,1]=4 2635 B9R0.2 CC(O)CSCCCC=O 62a_100011218427_200011292268 [1,1,0,0,0,0|1,0,1]=4 2636 B9R0.2 CC(O)CSCCCC=O 62a_200011292268_100011218427 [1,1,0,0,0,0|1,0,1]=4 2637 B9R0.2 CC/C=C\CCNC(C)C 2230a_100138425928_100015370543 [1,1,0,0,0,0|1,0,1]=4 2638 B9R0.2 CC/C=C\CCNC(C)C 34a_100138425928_100015370543 [1,1,0,0,0,0|1,0,1]=4 2639 B9R0.2 CC/C=C\CCOC(C)C 34a_100000212225_100015370543 [1,1,0,0,0,0|1,0,1]=4 2640 B9R0.2 CC/C=C\CCOC(C)C 34a_100016288707_100000210206 [1,1,0,0,0,0|1,0,1]=4 2641 B9R0.2 CC/C=C\CCOC(C)C 7a_100016288707_100000210206 [1,1,0,0,0,0|1,0,1]=4 2642 B9R0.2 CC/C=C\CCSC(C)C 62a_100000210206_100015370543 [1,1,0,0,0,0|1,0,1]=4 2643 B9R0.2 CC/C=C\CCSC(C)C 62a_100015370543_100000210206 [1,1,0,0,0,0|1,0,1]=4 2644 B9R0.2 CC/C=C\CNCC(=O)N 2230a_100000711301_100103147603 [1,1,0,0,0,0|1,0,0]=3 2645 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [1,1,0,0,0,0|1,0,0]=3 2646 B9R0.2 CC/C=C\CNCC(C)C 2230a_100000210953_100103147603 [1,1,0,0,0,0|1,0,1]=4 2647 B9R0.2 CC/C=C\CNCC(C)C 34a_100000210953_100103147603 [1,1,0,0,0,0|1,0,1]=4 2648 B9R0.2 CC/C=C\CNCC(C)O 2230a_100000210904_100103147603 [1,1,0,0,0,0|1,0,1]=4 2649 B9R0.2 CC/C=C\CNCC(C)O 34a_100000210904_100103147603 [1,1,0,0,0,0|1,0,1]=4 2650 B9R0.2 CC/C=C\CNCC(F)F 34a_100000765723_100103147603 [1,1,0,0,0,0|2,0,0]=4 2651 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [1,1,0,0,0,0|1,0,0]=3 2652 B9R0.2 CC/C=C\COCC(=O)N 34a_100016268518_100000187820 [1,1,0,0,0,0|1,0,0]=3 2653 B9R0.2 CC/C=C\COCC(=O)[O-] 34a_100016268518_100020667443 [1,1,0,0,0,0|1,0,0]=3 2654 B9R0.2 CC/C=C\COCC(C)Br 34a_100012180447_100103147603 [1,1,0,0,0,0|1,0,1]=4 2655 B9R0.2 CC/C=C\COCC(C)C 34a_100000210257_100103147603 [1,1,0,0,0,0|1,0,1]=4 2656 B9R0.2 CC/C=C\COCC(C)C 34a_100016268518_100000210624 [1,1,0,0,0,0|1,0,1]=4 2657 B9R0.2 CC/C=C\COCC(C)F 34a_100015925927_100103147603 [1,1,0,0,0,0|1,0,1]=4 2658 B9R0.2 CC/C=C\COCC(C)O 34a_100016268518_100011218427 [1,1,0,0,0,0|1,0,1]=4 2659 B9R0.2 CC/C=C\COCC(F)F 34a_100000743014_100103147603 [1,1,0,0,0,0|2,0,0]=4 2660 B9R0.2 CC/C=C\COCC(F)F 34a_100016268518_100011934356 [1,1,0,0,0,0|2,0,0]=4 2661 B9R0.2 CC/C=C\COC[C@@H](C)Cl 34a_100016084084_100103147603 [1,1,0,0,0,0|1,0,1]=4 2662 B9R0.2 CC/C=C\COC[C@@H](C)N 34a_100000737577_100103147603 [1,1,0,0,0,0|1,0,1]=4 2663 B9R0.2 CC/C=C\COC[C@@H](C)O 34a_100016268518_100009817552 [1,1,0,0,0,0|1,0,1]=4 2664 B9R0.2 CC/C=C\COC[N+](=O)[O-] 34a_100016268518_100000761209 [1,1,0,0,0,0|2,0,0]=4 2665 B9R0.2 CC/C=C\CSCC(=O)N 62a_100000747473_100103147603 [1,1,0,0,0,0|1,0,0]=3 2666 B9R0.2 CC/C=C\CSCC(=O)N 62a_100103147603_100000747473 [1,1,0,0,0,0|1,0,0]=3 2667 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100020667443_100103147603 [1,1,0,0,0,0|1,0,0]=3 2668 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100103147603_100020667443 [1,1,0,0,0,0|1,0,0]=3 2669 B9R0.2 CC/C=C\CSCC(C)C 62a_100000210624_100103147603 [1,1,0,0,0,0|1,0,1]=4 2670 B9R0.2 CC/C=C\CSCC(C)C 62a_100103147603_100000210760 [1,1,0,0,0,0|1,0,1]=4 2671 B9R0.2 CC/C=C\CSCC(C)O 62a_100011218427_100103147603 [1,1,0,0,0,0|1,0,1]=4 2672 B9R0.2 CC/C=C\CSCC(C)O 62a_100103147603_100011218427 [1,1,0,0,0,0|1,0,1]=4 2673 B9R0.2 CC/C=C\CSCC(F)F 62a_100011934356_100103147603 [1,1,0,0,0,0|2,0,0]=4 2674 B9R0.2 CC/C=C\CSCC(F)F 62a_100103147603_100011934356 [1,1,0,0,0,0|2,0,0]=4 2675 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100009817552_100103147603 [1,1,0,0,0,0|1,0,1]=4 2676 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100103147603_100009817552 [1,1,0,0,0,0|1,0,1]=4 2677 B9R0.2 CC/C=C\CSC[N+](=O)[O-] 62a_100103147603_100000761209 [1,1,0,0,0,0|2,0,0]=4 2678 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [1,1,0,0,0,0|1,0,0]=3 2679 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [1,1,0,0,0,0|1,0,0]=3 2680 B9R0.2 CC=CCOCCC(=O)N 34a_100000757172_100000070051 [1,1,0,0,0,0|1,0,0]=3 2681 B9R0.2 CC=CCOCCC(=O)N 7a_100000757172_100000070051 [1,1,0,0,0,0|1,0,0]=3 2682 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [1,1,0,0,0,0|1,0,0]=3 2683 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [1,1,0,0,0,0|1,0,0]=3 2684 B9R0.2 CC=CCSCCC(=O)N 62a_100000070051_100000744528 [1,1,0,0,0,0|1,0,0]=3 2685 B9R0.2 CC=CCSCCC(=O)N 62a_100000744528_100000070051 [1,1,0,0,0,0|1,0,0]=3 2686 B9R0.2 CC=CCSCOC(=O)C 62a_100000070051_100000076356 [1,1,0,0,0,0|2,0,0]=4 2687 B9R0.2 CC=CCSCOC(=O)C 62a_100000076356_100000070051 [1,1,0,0,0,0|2,0,0]=4 2688 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [1,1,0,0,0,0|0,0,2]=4 2689 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [1,1,0,0,0,0|0,0,2]=4 2690 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,1,0,0,0,0|0,0,1]=3 2691 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,1,0,0,0,0|0,0,1]=3 2692 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,1,0,0,0,0|0,0,1]=3 2693 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,1,0,0,0,0|1,0,1]=4 2694 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,1,0,0,0,0|1,0,1]=4 2695 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,1,0,0,0,0|1,0,1]=4 2696 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,1,0,0,0,0|1,0,1]=4 2697 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [1,1,0,0,0,0|1,0,1]=4 2698 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [1,1,0,0,0,0|1,0,1]=4 2699 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,1,0,0,0,0|1,0,1]=4 2700 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,1,0,0,0,0|1,0,1]=4 2701 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [1,1,0,0,0,0|1,0,1]=4 2702 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [1,1,0,0,0,0|1,0,1]=4 2703 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [1,1,0,0,0,0|1,0,1]=4 2704 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [1,1,0,0,0,0|1,0,1]=4 2705 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [1,1,0,0,0,0|1,0,1]=4 2706 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [1,1,0,0,0,0|1,0,1]=4 2707 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [1,1,0,0,0,0|1,0,1]=4 2708 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,1,0,0,0,0|1,0,1]=4 2709 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [1,1,0,0,0,0|1,0,1]=4 2710 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [1,1,0,0,0,0|1,0,1]=4 2711 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,1,0,0,0,0|1,0,1]=4 2712 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,1,0,0,0,0|1,0,1]=4 2713 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,1,0,0,0,0|1,0,1]=4 2714 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,1,0,0,0,0|1,0,1]=4 2715 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [1,1,0,0,0,0|1,0,1]=4 2716 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [1,1,0,0,0,0|1,0,1]=4 2717 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [1,1,0,0,0,0|1,0,1]=4 2718 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [1,1,0,0,0,0|1,0,1]=4 2719 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,1,0,0,0,0|1,0,1]=4 2720 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,1,0,0,0,0|1,0,1]=4 2721 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [1,1,0,0,0,0|1,0,1]=4 2722 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [1,1,0,0,0,0|1,0,1]=4 2723 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [1,1,0,0,0,0|1,0,1]=4 2724 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,1,0,0,0,0|1,0,1]=4 2725 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,1,0,0,0,0|1,0,1]=4 2726 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,1,0,0,0,0|1,0,1]=4 2727 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [1,1,0,0,0,0|1,0,1]=4 2728 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,1,0,0,0,0|1,0,1]=4 2729 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,1,0,0,0,0|1,0,1]=4 2730 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [1,1,0,0,0,0|1,0,1]=4 2731 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [1,1,0,0,0,0|1,0,1]=4 2732 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [1,1,0,0,0,0|1,0,0]=3 2733 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [1,1,0,0,0,0|2,0,0]=4 2734 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [1,1,0,0,0,0|2,0,0]=4 2735 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [1,1,0,0,0,0|2,0,0]=4 2736 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [1,1,0,0,0,0|2,0,0]=4 2737 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,1,0,0,0,0|1,0,0]=3 2738 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [1,1,0,0,0,0|1,0,0]=3 2739 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [1,1,0,0,0,0|1,0,0]=3 2740 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [1,1,0,0,0,0|2,0,0]=4 2741 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [1,1,0,0,0,0|2,0,0]=4 2742 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [1,1,0,0,0,0|2,0,0]=4 2743 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [1,1,0,0,0,0|2,0,0]=4 2744 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [1,1,0,0,0,0|2,0,0]=4 2745 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [1,1,0,0,0,0|2,0,0]=4 2746 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [1,1,0,0,0,0|2,0,0]=4 2747 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [1,1,0,0,0,0|2,0,0]=4 2748 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [1,1,0,0,0,0|2,0,0]=4 2749 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [1,1,0,0,0,0|2,0,0]=4 2750 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [1,1,0,0,0,0|2,0,0]=4 2751 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [1,1,0,0,0,0|2,0,0]=4 2752 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [1,1,0,0,0,0|2,0,0]=4 2753 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [1,1,0,0,0,0|2,0,0]=4 2754 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [1,1,0,0,0,0|2,0,0]=4 2755 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [1,1,0,0,0,0|2,0,0]=4 2756 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [1,1,0,0,0,0|2,0,0]=4 2757 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [1,1,0,0,0,0|2,0,0]=4 2758 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [1,1,0,0,0,0|2,0,0]=4 2759 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [1,1,0,0,0,0|2,0,0]=4 2760 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [1,1,0,0,0,0|2,0,0]=4 2761 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [1,1,0,0,0,0|2,0,0]=4 2762 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [1,1,0,0,0,0|2,0,0]=4 2763 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [1,1,0,0,0,0|2,0,0]=4 2764 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [1,1,0,0,0,0|2,0,0]=4 2765 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [1,1,0,0,0,0|2,0,0]=4 2766 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [1,1,0,0,0,0|2,0,0]=4 2767 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,1,0,0,0,0|1,0,0]=3 2768 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,1,0,0,0,0|1,0,0]=3 2769 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [1,1,0,0,0,0|2,0,0]=4 2770 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [1,1,0,0,0,0|2,0,0]=4 2771 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [1,1,0,0,0,0|2,0,0]=4 2772 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [1,1,0,0,0,0|2,0,0]=4 2773 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [1,1,0,0,0,0|2,0,0]=4 2774 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [1,1,0,0,0,0|2,0,0]=4 2775 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [1,1,0,0,0,0|2,0,0]=4 2776 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [1,1,0,0,0,0|2,0,0]=4 2777 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [1,1,0,0,0,0|2,0,0]=4 2778 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [1,1,0,0,0,0|2,0,0]=4 2779 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [1,1,0,0,0,0|2,0,0]=4 2780 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [1,1,0,0,0,0|2,0,0]=4 2781 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [1,1,0,0,0,0|2,0,0]=4 2782 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [1,1,0,0,0,0|2,0,0]=4 2783 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [1,1,0,0,0,0|2,0,0]=4 2784 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [1,1,0,0,0,0|2,0,0]=4 2785 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [1,1,0,0,0,0|2,0,0]=4 2786 B9R0.2 CN(C)CCCCCC=O 2230a_100102631434_100000139337 [1,1,0,0,0,0|1,0,1]=4 2787 B9R0.2 CN(C)CCCCCC=O 269982a_100102631434_100000139337 [1,1,0,0,0,0|1,0,1]=4 2788 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [1,1,0,0,0,0|1,0,1]=4 2789 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [1,1,0,0,0,0|1,0,1]=4 2790 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [1,1,0,0,0,0|1,0,1]=4 2791 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,1,0,0,0,0|1,0,1]=4 2792 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [1,1,0,0,0,0|1,0,1]=4 2793 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [1,1,0,0,0,0|1,0,1]=4 2794 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [1,1,0,0,0,0|1,0,1]=4 2795 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,1,0,0,0,0|1,0,1]=4 2796 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [1,1,0,0,0,0|1,0,1]=4 2797 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [1,1,0,0,0,0|1,0,1]=4 2798 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [1,1,0,0,0,0|1,0,1]=4 2799 B9R0.2 C[C@@H](O)CSCCCC=O 62a_100009817552_200011292268 [1,1,0,0,0,0|1,0,1]=4 2800 B9R0.2 C[C@@H](O)CSCCCC=O 62a_200011292268_100009817552 [1,1,0,0,0,0|1,0,1]=4 2801 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [1,1,0,0,0,0|2,0,0]=4 2802 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [1,1,0,0,0,0|2,0,0]=4 2803 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [1,1,0,0,0,0|2,0,0]=4 2804 B9R0.2 O=CCSCCC=C(F)F 62a_200009816681_200015260668 [1,1,0,0,0,0|2,0,0]=4 2805 B9R0.2 O=CCSCCC=C(F)F 62a_200015260668_200009816681 [1,1,0,0,0,0|2,0,0]=4 2806 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,1,0,0,0,0|1,0,1]=4 2807 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [1,1,0,0,0,0|1,0,1]=4 2808 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [1,1,0,0,0,0|1,0,1]=4 2809 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [1,1,0,0,0,0|1,0,1]=4 2810 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [1,1,0,0,0,0|1,0,1]=4 2811 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [1,1,0,0,0,0|1,0,1]=4 2812 B9R0.5 C=CCC(=O)C/C=C/CC 1458a_100016274230_100000210623 [1,1,0,0,0,0|0,0,2]=4 2813 B9R0.5 C=CCC(=O)C/C=C\CC 1458a_100000210193_100103147603 [1,1,0,0,0,0|0,0,2]=4 2814 B9R0.5 C=CCCCC(=O)C=CC 1458a_100000210699_100000757094 [1,1,0,0,0,0|0,0,2]=4 2815 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [1,1,0,0,0,0|0,0,2]=4 2816 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [1,1,0,0,0,0|0,0,2]=4 2817 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [1,1,0,0,0,0|1,0,1]=4 2818 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [1,1,0,0,0,0|1,0,1]=4 2819 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [1,1,0,0,0,0|1,0,1]=4 2820 B9R0.5 C=CCCOC(C)/C=C/C 34a_200102604097_100000754431 [1,1,0,0,0,0|2,0,0]=4 2821 B9R0.5 C=CCN(C)C/C=C\CC 2230a_100000225617_100103147603 [1,1,0,0,0,0|1,0,1]=4 2822 B9R0.5 C=CCN(C)C/C=C\CC 269982a_100000225617_100103147603 [1,1,0,0,0,0|1,0,1]=4 2823 B9R0.5 C=CC[C@@H](C)OC/C=C/C 34a_100000731007_100102629194 [1,1,0,0,0,0|2,0,0]=4 2824 B9R0.5 C=CC[C@@H](C)OC/C=C/C 7a_100000731007_100102629194 [1,1,0,0,0,0|2,0,0]=4 2825 B9R0.5 C=CC[C@@H](C)OCC=CC 34a_100000731007_100000070051 [1,1,0,0,0,0|2,0,0]=4 2826 B9R0.5 C=CC[C@@H](C)OCC=CC 7a_100000731007_100000070051 [1,1,0,0,0,0|2,0,0]=4 2827 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [1,1,0,0,0,0|0,0,2]=4 2828 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [1,1,0,0,0,0|1,0,1]=4 2829 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [1,1,0,0,0,0|0,0,2]=4 2830 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [1,1,0,0,0,0|0,0,2]=4 2831 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [1,1,0,0,0,0|0,0,2]=4 2832 B9R0.5 CC/C=C\CN(C)CCC 2230a_100000747261_100103147603 [1,1,0,0,0,0|1,0,1]=4 2833 B9R0.5 CC/C=C\CN(C)CCC 269982a_100000747261_100103147603 [1,1,0,0,0,0|1,0,1]=4 2834 B9R0.5 CC/C=C\CN(C)CCO 2230a_100000210263_100103147603 [1,1,0,0,0,0|1,0,1]=4 2835 B9R0.5 CC/C=C\CN(C)CCO 269982a_100000210263_100103147603 [1,1,0,0,0,0|1,0,1]=4 2836 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [1,1,0,0,0,0|0,0,2]=4 2837 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [1,1,0,0,0,0|1,0,1]=4 2838 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [1,1,0,0,0,0|0,0,2]=4 2839 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,1,0,0,0,0|1,0,1]=4 2840 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,1,0,0,0,0|0,0,2]=4 2841 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,1,0,0,0,0|0,0,2]=4 2842 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [1,1,0,0,0,0|1,0,1]=4 2843 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [1,1,0,0,0,0|1,0,1]=4 2844 B9R0.5 CCCC(C)COCC=O 34a_100000688023_200009817547 [1,1,0,0,0,0|1,0,1]=4 2845 B9R0.5 CCCC(C)COCC=O 7a_100000688023_200015260668 [1,1,0,0,0,0|1,0,1]=4 2846 B9R0.5 CCCC(C)CSCC=O 62a_100011216630_200015260668 [1,1,0,0,0,0|1,0,1]=4 2847 B9R0.5 CCCC(C)CSCC=O 62a_200015260668_100011216630 [1,1,0,0,0,0|1,0,1]=4 2848 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,1,0,0,0,0|0,0,2]=4 2849 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,1,0,0,0,0|0,0,2]=4 2850 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,1,0,0,0,0|1,0,1]=4 2851 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,1,0,0,0,0|1,0,1]=4 2852 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,1,0,0,0,0|1,0,1]=4 2853 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [1,1,0,0,0,0|1,0,1]=4 2854 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [1,1,0,0,0,0|1,0,1]=4 2855 B9R0.5 CCCN(C)CCCC=O 2230a_100000747261_200011292268 [1,1,0,0,0,0|1,0,1]=4 2856 B9R0.5 CCCN(C)CCCC=O 269982a_100000747261_200011292268 [1,1,0,0,0,0|1,0,1]=4 2857 B9R0.5 CCC[C@H](N)COCC=O 34a_100000732646_200009817547 [1,1,0,0,0,0|1,0,1]=4 2858 B9R0.5 CCNC(=O)CNCC=O 2230a_100016988866_200015260668 [1,1,0,0,0,0|2,0,0]=4 2859 B9R0.5 CCNC(=O)CSCC=O 62a_100000183381_200015260668 [1,1,0,0,0,0|2,0,0]=4 2860 B9R0.5 CCNC(=O)CSCC=O 62a_200015260668_100000183381 [1,1,0,0,0,0|2,0,0]=4 2861 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [1,1,0,0,0,0|2,0,0]=4 2862 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [1,1,0,0,0,0|2,0,0]=4 2863 B9R0.18 C=CCCC(=O)C/C=C/C 1458a_100000749702_100102629194 [1,1,0,0,0,0|1,0,1]=4 2864 B9R0.18 C=CCCC(=O)C=CCC 1458a_100000212282_100000754431 [1,1,0,0,0,0|0,0,2]=4 2865 B9R0.18 C=CCCC(=O)CC=CC 1458a_100000749702_100000070051 [1,1,0,0,0,0|1,0,1]=4 2866 B9R0.18 C=CCCC(=O)CC=CC 1458a_100121576822_100000754431 [1,1,0,0,0,0|1,0,1]=4 2867 B9R0.18 C=CCCN(C)C/C=C/C 269982a_100020639649_100102629194 [1,1,0,0,0,0|2,0,0]=4 2868 B9R0.18 C=CCCN(C)CC=CC 2230a_100020639649_100000070051 [1,1,0,0,0,0|2,0,0]=4 2869 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [1,1,0,0,0,0|0,0,2]=4 2870 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [1,1,0,0,0,0|1,0,1]=4 2871 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [1,1,0,0,0,0|0,0,2]=4 2872 B9R0.18 CCCCC(C)NCC=O 2230a_100000126638_200015260668 [1,1,0,0,0,0|1,0,1]=4 2873 B9R0.18 CCCCC(C)OCC=O 34a_100000687866_200009817547 [1,1,0,0,0,0|1,0,1]=4 2874 B9R0.18 CCCCC(C)OCC=O 7a_100000687866_200015260668 [1,1,0,0,0,0|1,0,1]=4 2875 B9R0.18 CCCCC(C)SCC=O 62a_200011215066_200015260668 [1,1,0,0,0,0|1,0,1]=4 2876 B9R0.18 CCCCC(C)SCC=O 62a_200015260668_200011215066 [1,1,0,0,0,0|1,0,1]=4 2877 B9R0.18 CCOCC(C)OCC=O 34a_100000718985_200009817547 [1,1,0,0,0,0|2,0,0]=4 2878 B9R0.18 CCOCC(C)OCC=O 7a_100000718985_200015260668 [1,1,0,0,0,0|2,0,0]=4 2879 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [1,1,0,0,0,0|1,0,1]=4 2880 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [1,1,0,0,0,0|1,0,1]=4 2881 B9R0.46 C=CC(=O)CC/C=C\CC 1458a_100000185746_100015370543 [1,1,0,0,0,0|0,0,2]=4 2882 B9R0.46 C=CC(C)COC/C=C/C 34a_100011215527_100102629194 [1,1,0,0,0,0|2,0,0]=4 2883 B9R0.46 C=CC(C)COC/C=C/C 7a_100011215527_100102629194 [1,1,0,0,0,0|2,0,0]=4 2884 B9R0.46 C=CC(C)COCC=CC 34a_100011215527_100000070051 [1,1,0,0,0,0|2,0,0]=4 2885 B9R0.46 C=CC(C)COCC=CC 7a_100011215527_100000070051 [1,1,0,0,0,0|2,0,0]=4 2886 B9R0.46 C=CC(C)OC/C=C\CC 34a_100000695699_100103147603 [1,1,0,0,0,0|1,0,1]=4 2887 B9R0.46 C=CC(C)SC/C=C\CC 62a_100011215867_100103147603 [1,1,0,0,0,0|1,0,1]=4 2888 B9R0.46 C=CC(O)COC/C=C/C 34a_100016270725_100000730141 [1,1,0,0,0,0|2,0,0]=4 2889 B9R0.46 C=CC(O)CSC/C=C/C 62a_100000730141_100102629194 [1,1,0,0,0,0|2,0,0]=4 2890 B9R0.46 C=CC(O)CSC/C=C/C 62a_100102629194_100000730141 [1,1,0,0,0,0|2,0,0]=4 2891 B9R0.46 C=CC(O)CSCC=CC 62a_100000070051_100000730141 [1,1,0,0,0,0|2,0,0]=4 2892 B9R0.46 C=CC(O)CSCC=CC 62a_100000730141_100000070051 [1,1,0,0,0,0|2,0,0]=4 2893 B9R0.46 C=CCCCCC(=O)C=C 1458a_100000185746_100011215482 [1,1,0,0,0,0|1,0,1]=4 2894 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [1,1,0,0,0,0|1,0,0]=3 2895 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [1,1,0,0,0,0|1,0,0]=3 2896 B9R0.46 C=CCCCCC(=O)CF 1458a_100011215552_100015361967 [1,1,0,0,0,0|2,0,0]=4 2897 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [1,1,0,0,0,0|2,0,0]=4 2898 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [1,1,0,0,0,0|2,0,0]=4 2899 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [1,1,0,0,0,0|2,0,0]=4 2900 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [1,1,0,0,0,0|2,0,0]=4 2901 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [1,1,0,0,0,0|2,0,0]=4 2902 B9R0.46 C=CCCCCN(C)CC 2230a_100000225621_100011215482 [1,1,0,0,0,0|2,0,0]=4 2903 B9R0.46 C=CCCCCN(C)CC 2230a_100012000471_100000210202 [1,1,0,0,0,0|2,0,0]=4 2904 B9R0.46 C=CCCCCN(C)CC 269982a_100000225621_100011215482 [1,1,0,0,0,0|2,0,0]=4 2905 B9R0.46 C=CCCCCN(C)CC 269982a_100012000471_100000204670 [1,1,0,0,0,0|2,0,0]=4 2906 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [1,1,0,0,0,0|1,0,1]=4 2907 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [1,1,0,0,0,0|1,0,1]=4 2908 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [1,1,0,0,0,0|1,0,1]=4 2909 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [1,1,0,0,0,0|1,0,1]=4 2910 B9R0.46 C=CCCOCC(=O)CC 34a_100000725409_100000754431 [1,1,0,0,0,0|2,0,0]=4 2911 B9R0.46 C=CCCSCC(=O)CC 62a_100000747405_100000754431 [1,1,0,0,0,0|2,0,0]=4 2912 B9R0.46 C=CCCSCC(=O)CC 62a_100000754431_100000747405 [1,1,0,0,0,0|2,0,0]=4 2913 B9R0.46 C=CCOCCC(=O)CC 1458a_200011217002_100000210202 [1,1,0,0,0,0|2,0,0]=4 2914 B9R0.46 C=C[C@H](N)COC/C=C/C 34a_100016989147_100102629194 [1,1,0,0,0,0|2,0,0]=4 2915 B9R0.46 C=C[C@H](N)COCC=CC 34a_100016989147_100000070051 [1,1,0,0,0,0|2,0,0]=4 2916 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [1,1,0,0,0,0|0,0,2]=4 2917 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [1,1,0,0,0,0|0,0,2]=4 2918 B9R0.46 CC/C=C\CCN(C)CC 2230a_100000225621_100015370543 [1,1,0,0,0,0|1,0,1]=4 2919 B9R0.46 CC/C=C\CCN(C)CC 269982a_100000225621_100015370543 [1,1,0,0,0,0|1,0,1]=4 2920 B9R0.46 CC/C=C\CNC(C)CC 2230a_100000209981_100103147603 [1,1,0,0,0,0|1,0,1]=4 2921 B9R0.46 CC/C=C\CN[C@H](C)CO 2230a_100000737577_100103147603 [1,1,0,0,0,0|1,0,1]=4 2922 B9R0.46 CC/C=C\COC(C)CC 34a_100016268518_100011215416 [1,1,0,0,0,0|1,0,1]=4 2923 B9R0.46 CC/C=C\COC(C)CC 7a_100000210228_100103147603 [1,1,0,0,0,0|1,0,1]=4 2924 B9R0.46 CC/C=C\COC(C)CF 34a_100016041109_100103147603 [1,1,0,0,0,0|2,0,0]=4 2925 B9R0.46 CC/C=C\COC(C)CF 7a_100016041109_100103147603 [1,1,0,0,0,0|2,0,0]=4 2926 B9R0.46 CC/C=C\COC(C)CN 34a_100000210904_100103147603 [1,1,0,0,0,0|2,0,0]=4 2927 B9R0.46 CC/C=C\COC(C)CO 34a_100016268518_100012180447 [1,1,0,0,0,0|1,0,1]=4 2928 B9R0.46 CC/C=C\CSC(C)CC 62a_100000758301_100103147603 [1,1,0,0,0,0|1,0,1]=4 2929 B9R0.46 CC/C=C\CSC(C)CC 62a_100103147603_100000758301 [1,1,0,0,0,0|1,0,1]=4 2930 B9R0.46 CC/C=C\CSC(C)CO 62a_100012180447_100103147603 [1,1,0,0,0,0|1,0,1]=4 2931 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100016084084_100103147603 [1,1,0,0,0,0|1,0,1]=4 2932 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100103147603_100016084084 [1,1,0,0,0,0|1,0,1]=4 2933 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [1,1,0,0,0,0|1,0,1]=4 2934 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [1,1,0,0,0,0|1,0,1]=4 2935 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,1,0,0,0,0|0,0,2]=4 2936 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,1,0,0,0,0|0,0,2]=4 2937 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [1,1,0,0,0,0|2,0,0]=4 2938 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [1,1,0,0,0,0|1,0,1]=4 2939 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [1,1,0,0,0,0|1,0,1]=4 2940 B9R0.46 CCC(C)CCNCC=O 2230a_100020591266_200015260668 [1,1,0,0,0,0|1,0,1]=4 2941 B9R0.46 CCC(C)CCOCC=O 7a_100011215188_200015260668 [1,1,0,0,0,0|1,0,1]=4 2942 B9R0.46 CCC(C)NCCCC=O 2230a_100000209981_200011292268 [1,1,0,0,0,0|1,0,1]=4 2943 B9R0.46 CCC(C)OCCCC=O 7a_100000210228_200011292268 [1,1,0,0,0,0|1,0,1]=4 2944 B9R0.46 CCC(C)SCCCC=O 62a_100000758301_200011292268 [1,1,0,0,0,0|1,0,1]=4 2945 B9R0.46 CCC(C)SCCCC=O 62a_200011292268_100000758301 [1,1,0,0,0,0|1,0,1]=4 2946 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [1,1,0,0,0,0|0,0,2]=4 2947 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [1,1,0,0,0,0|0,0,2]=4 2948 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [1,1,0,0,0,0|0,0,2]=4 2949 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [1,1,0,0,0,0|1,0,1]=4 2950 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [1,1,0,0,0,0|1,0,1]=4 2951 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [1,1,0,0,0,0|1,0,1]=4 2952 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [1,1,0,0,0,0|1,0,1]=4 2953 B9R0.46 CCN(C)CCCCC=O 2230a_100000225621_100000139335 [1,1,0,0,0,0|1,0,0]=3 2954 B9R0.46 CCN(C)CCCCC=O 269982a_100000225621_100000139335 [1,1,0,0,0,0|1,0,0]=3 2955 B9R0.46 CNC(=O)CCNCC=O 2230a_100000738227_200015260668 [1,1,0,0,0,0|2,0,0]=4 2956 B9R0.46 CNC(=O)CCNCC=O 34a_100000738227_200009817547 [1,1,0,0,0,0|2,0,0]=4 2957 B9R0.46 CNC(=O)CCOCC=O 34a_100000754576_200009817547 [1,1,0,0,0,0|2,0,0]=4 2958 B9R0.46 CNC(=O)CCSCC=O 62a_100000737683_200015260668 [1,1,0,0,0,0|2,0,0]=4 2959 B9R0.46 CNC(=O)CCSCC=O 62a_200015260668_100000737683 [1,1,0,0,0,0|2,0,0]=4 2960 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [1,1,0,0,0,0|2,0,0]=4 2961 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [1,1,0,0,0,0|2,0,0]=4 2962 B11R0.2 C=C(C)CN(C)CC/C=C\CC 2230a_100000225649_100015370543 [0,2,0,0,0,0|2,0,0]=4 2963 B11R0.2 C=C(C)CN(C)CC/C=C\CC 269982a_100000225649_100015370543 [0,2,0,0,0,0|2,0,0]=4 2964 B11R0.2 C=CCCCCC(=O)C=C(C)C 1458a_100000211388_100011215482 [0,2,0,0,0,0|1,0,1]=4 2965 B11R0.2 C=CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100011215482 [0,2,0,0,0,0|1,0,1]=4 2966 B11R0.2 C=CCCCCC(=O)C=C(C)I 1458a_100025716642_100011215482 [0,2,0,0,0,0|1,0,1]=4 2967 B11R0.2 C=CCCCCC(=O)CC(C)C 1458a_100000210554_100011215482 [0,2,0,0,0,0|1,0,1]=4 2968 B11R0.2 C=CCCCCC(=O)CC(C)C 1458a_100011215552_100000210624 [0,2,0,0,0,0|1,0,1]=4 2969 B11R0.2 C=CCCCCC(=O)CC(C)O 1458a_100011215552_100011218427 [0,2,0,0,0,0|1,0,1]=4 2970 B11R0.2 C=CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215482 [0,2,0,0,0,0|1,0,1]=4 2971 B11R0.2 C=CCCCCC(=O)NC(C)C 11a_100138425928_100011215552 [0,2,0,0,0,0|2,0,0]=4 2972 B11R0.2 C=CCCCCC(=O)NC(C)C 1626a_100138425928_100011215552 [0,2,0,0,0,0|2,0,0]=4 2973 B11R0.2 C=CCCCCC(=O)NC(C)C 240690a_100138425928_100011215552 [0,2,0,0,0,0|2,0,0]=4 2974 B11R0.2 C=CCCCCC(=O)NC(C)C 527a_100138425928_100011215552 [0,2,0,0,0,0|2,0,0]=4 2975 B11R0.2 CC(C)CN(C)CCCCC=O 2230a_100000747067_100000139335 [0,2,0,0,0,0|1,0,1]=4 2976 B11R0.2 CC(C)CN(C)CCCCC=O 269982a_100000747067_100000139335 [0,2,0,0,0,0|1,0,1]=4 2977 B11R0.2 CC(C)NC(=O)CCSCC=O 62a_100000737564_200015260668 [0,2,0,0,0,0|2,0,0]=4 2978 B11R0.2 CC(C)NC(=O)CCSCC=O 62a_200015260668_100000737564 [0,2,0,0,0,0|2,0,0]=4 2979 B11R0.2 CC(C)OC(=O)CCSCC=O 62a_100000760027_200015260668 [0,2,0,0,0,0|2,0,0]=4 2980 B11R0.2 CC(C)OC(=O)CCSCC=O 62a_200015260668_100000760027 [0,2,0,0,0,0|2,0,0]=4 2981 B11R0.2 CC(O)CN(C)CCCCC=O 2230a_100000227577_100000139335 [0,2,0,0,0,0|1,0,1]=4 2982 B11R0.2 CC(O)CN(C)CCCCC=O 269982a_100000227577_100000139335 [0,2,0,0,0,0|1,0,1]=4 2983 B11R0.2 CC/C=C\CCC(=O)CC(=O)N 1458a_100134613110_100015370543 [0,2,0,0,0,0|0,0,1]=3 2984 B11R0.2 CC/C=C\CCN(C)CC(=O)N 2230a_100000739694_100015370543 [0,2,0,0,0,0|1,0,0]=3 2985 B11R0.2 CC/C=C\CCN(C)CC(=O)O 269956a_100000746989_100015370543 [0,2,0,0,0,0|1,0,0]=3 2986 B11R0.2 CC/C=C\CSC(C)OC(=O)C 62a_100009818208_100103147603 [0,2,0,0,0,0|2,0,0]=4 2987 B11R0.2 CC/C=C\CSC(C)OC(=O)C 62a_100103147603_100009818208 [0,2,0,0,0,0|2,0,0]=4 2988 B11R0.4 C#CCC(C)OCC/C=C\CC 34a_100000685586_100015370543 [0,2,0,0,0,0|1,0,1]=4 2989 B11R0.4 C#CCC(C)OCC/C=C\CC 7a_100000685586_100015370543 [0,2,0,0,0,0|1,0,1]=4 2990 B11R0.4 C/C=C/C(C)OCC/C=C\CC 34a_200102604097_100015370543 [0,2,0,0,0,0|1,0,1]=4 2991 B11R0.4 C=CCC(C)COC/C=C\CC 34a_100009832082_100103147603 [0,2,0,0,0,0|1,0,0]=3 2992 B11R0.4 C=CCC(C)COC/C=C\CC 7a_100009832082_100103147603 [0,2,0,0,0,0|1,0,0]=3 2993 B11R0.4 C=CCCCCCC(=O)C=CC 1458a_100000210699_100000700193 [0,2,0,0,0,0|1,0,1]=4 2994 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [0,2,0,0,0,0|1,0,1]=4 2995 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [0,2,0,0,0,0|1,0,1]=4 2996 B11R0.4 C=CCCCCCC(=O)CCF 1458a_100011934241_100011217306 [0,2,0,0,0,0|1,0,1]=4 2997 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011216618_100000700193 [0,2,0,0,0,0|1,0,1]=4 2998 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011934241_100000211926 [0,2,0,0,0,0|1,0,1]=4 2999 B11R0.4 C=CCCCCCC(=O)COC 1458a_100000210968_100000700193 [0,2,0,0,0,0|1,0,1]=4 3000 B11R0.4 C=CCCCCCC(=O)CSC 1458a_100000184570_100000700193 [0,2,0,0,0,0|1,0,1]=4 3001 B11R0.4 C=CCCCCCC(=O)NCC 11a_100015525214_100011934241 [0,2,0,0,0,0|1,0,1]=4 3002 B11R0.4 C=CCCCCCC(=O)NCC 240690a_100015525214_100011934241 [0,2,0,0,0,0|1,0,1]=4 3003 B11R0.4 C=CCCCCCC(=O)NCC 527a_100015525214_100011934241 [0,2,0,0,0,0|1,0,1]=4 3004 B11R0.4 C=CCCCCNC(=O)C=CC 11a_100000703577_100000210699 [0,2,0,0,0,0|1,0,1]=4 3005 B11R0.4 C=CCCCCNC(=O)C=CC 1626a_100000703577_100000210699 [0,2,0,0,0,0|1,0,1]=4 3006 B11R0.4 C=CCCCCNC(=O)C=CC 240690a_100000703577_100000210699 [0,2,0,0,0,0|1,0,1]=4 3007 B11R0.4 C=CCCCCNC(=O)CCC 11a_100000703577_100000211992 [0,2,0,0,0,0|1,0,1]=4 3008 B11R0.4 C=CCCCCNC(=O)CCC 1626a_100000703577_100000211992 [0,2,0,0,0,0|1,0,1]=4 3009 B11R0.4 C=CCCCCNC(=O)CCC 240690a_100000703577_100000211992 [0,2,0,0,0,0|1,0,1]=4 3010 B11R0.4 C=CCCCCNC(=O)CCC 527a_100000703577_100000211992 [0,2,0,0,0,0|1,0,1]=4 3011 B11R0.4 C=CCCCCNC(=O)CCO 240690a_100000703577_100011216618 [0,2,0,0,0,0|2,0,0]=4 3012 B11R0.4 C=CCCCCNC(=O)COC 11a_100000703577_100000210968 [0,2,0,0,0,0|2,0,0]=4 3013 B11R0.4 C=CCCCCNC(=O)COC 1626a_100000703577_100000210968 [0,2,0,0,0,0|2,0,0]=4 3014 B11R0.4 C=CCCCCNC(=O)COC 240690a_100000703577_100000210968 [0,2,0,0,0,0|2,0,0]=4 3015 B11R0.4 C=CCCCCNC(=O)COC 527a_100000703577_100000210968 [0,2,0,0,0,0|2,0,0]=4 3016 B11R0.4 C=CCCCCNC(=O)CSC 11a_100000703577_100000184570 [0,2,0,0,0,0|2,0,0]=4 3017 B11R0.4 C=CCCCCNC(=O)CSC 1626a_100000703577_100000184570 [0,2,0,0,0,0|2,0,0]=4 3018 B11R0.4 C=CCCCCNC(=O)CSC 240690a_100000703577_100000184570 [0,2,0,0,0,0|2,0,0]=4 3019 B11R0.4 C=CCCCCNC(=O)CSC 527a_100000703577_100000184570 [0,2,0,0,0,0|2,0,0]=4 3020 B11R0.4 C=CCCCCNC(=O)NCC 2708a_100000703577_100015525214 [0,2,0,0,0,0|2,0,0]=4 3021 B11R0.4 C=CCCCCNC(=O)NCC 2708a_100015525214_100000703577 [0,2,0,0,0,0|2,0,0]=4 3022 B11R0.4 C=CCCCCNC(=O)NCC 273464a_100000703577_100015525214 [0,2,0,0,0,0|2,0,0]=4 3023 B11R0.4 C=CCCCCNC(=O)NCC 273464a_100015525214_100000703577 [0,2,0,0,0,0|2,0,0]=4 3024 B11R0.4 C=CCCCCNC(=O)NCC 512a_100000703577_100015525214 [0,2,0,0,0,0|2,0,0]=4 3025 B11R0.4 C=CCCCCNC(=O)NCC 512a_100015525214_100000703577 [0,2,0,0,0,0|2,0,0]=4 3026 B11R0.4 C=CCCCNCC(=O)CCC 2230a_100000700776_100000747444 [0,2,0,0,0,0|1,0,1]=4 3027 B11R0.4 C=CCCCNCC(=O)NCC 2230a_100000700776_100000183381 [0,2,0,0,0,0|2,0,0]=4 3028 B11R0.4 C=CCCCNCC(=O)NCC 2230a_100016988866_100011713584 [0,2,0,0,0,0|2,0,0]=4 3029 B11R0.4 C=CCCCNCC(=O)NCC 34a_100000700776_100000183381 [0,2,0,0,0,0|2,0,0]=4 3030 B11R0.4 C=CCCCNCC(=O)OCC 2230a_100000700776_100000188475 [0,2,0,0,0,0|2,0,0]=4 3031 B11R0.4 C=CCCCNCC(=O)OCC 34a_100000700776_100000188475 [0,2,0,0,0,0|2,0,0]=4 3032 B11R0.4 C=CCCCOCC(=O)CCC 7a_100000758997_100000747444 [0,2,0,0,0,0|1,0,1]=4 3033 B11R0.4 C=CCCCOCC(=O)NCC 34a_100000758997_100000183381 [0,2,0,0,0,0|2,0,0]=4 3034 B11R0.4 C=CCCCOCC(=O)NCC 7a_100000758997_100000183381 [0,2,0,0,0,0|2,0,0]=4 3035 B11R0.4 C=CCCCOCC(=O)OCC 34a_100000758997_100000188475 [0,2,0,0,0,0|2,0,0]=4 3036 B11R0.4 C=CCCCOCC(=O)OCC 7a_100000758997_100000188475 [0,2,0,0,0,0|2,0,0]=4 3037 B11R0.4 C=CCCCSCC(=O)CCC 62a_100000747444_100000757094 [0,2,0,0,0,0|1,0,1]=4 3038 B11R0.4 C=CCCCSCC(=O)CCC 62a_100011713584_100000747444 [0,2,0,0,0,0|1,0,1]=4 3039 B11R0.4 C=CCCCSCC(=O)NCC 62a_100000183381_100000757094 [0,2,0,0,0,0|2,0,0]=4 3040 B11R0.4 C=CCCCSCC(=O)NCC 62a_100011713584_100000183381 [0,2,0,0,0,0|2,0,0]=4 3041 B11R0.4 C=CCCCSCC(=O)OCC 62a_100000188475_100000757094 [0,2,0,0,0,0|2,0,0]=4 3042 B11R0.4 C=CCCCSCC(=O)OCC 62a_100011713584_100000188475 [0,2,0,0,0,0|2,0,0]=4 3043 B11R0.4 C=CCCNCCC(=O)NCC 2230a_100015191253_100000737597 [0,2,0,0,0,0|2,0,0]=4 3044 B11R0.4 C=CCCNCCC(=O)NCC 34a_100025743525_100000754431 [0,2,0,0,0,0|2,0,0]=4 3045 B11R0.4 C=CCCNCCC(=O)OCC 2230a_100015191253_100011206558 [0,2,0,0,0,0|2,0,0]=4 3046 B11R0.4 C=CCCOCCC(=O)OCC 34a_100011205117_100000765890 [0,2,0,0,0,0|2,0,0]=4 3047 B11R0.4 C=CCCSCCC(=O)NCC 62a_100000737597_100000754431 [0,2,0,0,0,0|2,0,0]=4 3048 B11R0.4 C=CCCSCCC(=O)NCC 62a_100000754431_100000737597 [0,2,0,0,0,0|2,0,0]=4 3049 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000754431_100000765890 [0,2,0,0,0,0|2,0,0]=4 3050 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000765890_100000754431 [0,2,0,0,0,0|2,0,0]=4 3051 B11R0.4 C=CCNCCCC(=O)OCC 2230a_100020586998_100009991533 [0,2,0,0,0,0|2,0,0]=4 3052 B11R0.4 C=CCOCCCC(=O)OCC 34a_200000210373_100009991533 [0,2,0,0,0,0|2,0,0]=4 3053 B11R0.4 C=CCOCCCC(=O)OCC 7a_100012001163_100015514636 [0,2,0,0,0,0|2,0,0]=4 3054 B11R0.4 C=CCSCCCC(=O)OCC 62a_100000210623_100009991533 [0,2,0,0,0,0|2,0,0]=4 3055 B11R0.4 C=CCSCCCC(=O)OCC 62a_100009991533_100000210623 [0,2,0,0,0,0|2,0,0]=4 3056 B11R0.4 C=CC[C@@H](C)OCC/C=C\CC 34a_100000731007_100015370543 [0,2,0,0,0,0|1,0,0]=3 3057 B11R0.4 C=CC[C@@H](C)OCC/C=C\CC 7a_100000731007_100015370543 [0,2,0,0,0,0|1,0,0]=3 3058 B11R0.4 C=CC[C@@H](N)COC/C=C\CC 34a_100020615467_100103147603 [0,2,0,0,0,0|1,0,0]=3 3059 B11R0.4 CC(CCO)SCCCCC=O 62a_100000139335_100009893172 [0,2,0,0,0,0|1,0,1]=4 3060 B11R0.4 CC(CCO)SCCCCC=O 62a_100009893172_100000139335 [0,2,0,0,0,0|1,0,1]=4 3061 B11R0.4 CC/C=C\CCNC(C)CCC 2230a_100000741246_100015370543 [0,2,0,0,0,0|1,0,1]=4 3062 B11R0.4 CC/C=C\CCN[C@@H](C)CC#N 2230a_100016994482_100015370543 [0,2,0,0,0,0|1,0,1]=4 3063 B11R0.4 CC/C=C\CCN[C@H](C)CCO 2230a_100000706166_100015370543 [0,2,0,0,0,0|0,0,2]=4 3064 B11R0.4 CC/C=C\CCN[C@H](C)CCO 34a_100000706166_100015370543 [0,2,0,0,0,0|0,0,2]=4 3065 B11R0.4 CC/C=C\CCN[C@H](C)COC 2230a_100000764878_100015370543 [0,2,0,0,0,0|2,0,0]=4 3066 B11R0.4 CC/C=C\CCOC(C)CC#N 7a_100016288707_100009813641 [0,2,0,0,0,0|1,0,1]=4 3067 B11R0.4 CC/C=C\CCOC(C)CCBr 34a_100012276601_100015370543 [0,2,0,0,0,0|1,0,1]=4 3068 B11R0.4 CC/C=C\CCOC(C)CCC 34a_100000764384_100015370543 [0,2,0,0,0,0|1,0,1]=4 3069 B11R0.4 CC/C=C\CCOC(C)CCC 34a_100016288707_100000766640 [0,2,0,0,0,0|1,0,1]=4 3070 B11R0.4 CC/C=C\CCOC(C)CCC 7a_100000764384_100015370543 [0,2,0,0,0,0|1,0,1]=4 3071 B11R0.4 CC/C=C\CCOC(C)CCC 7a_100016288707_100000766640 [0,2,0,0,0,0|1,0,1]=4 3072 B11R0.4 CC/C=C\CCOC(C)CCO 34a_100016288707_100009893172 [0,2,0,0,0,0|0,0,2]=4 3073 B11R0.4 CC/C=C\CCOC(C)CCO 7a_100016288707_100009893172 [0,2,0,0,0,0|0,0,2]=4 3074 B11R0.4 CC/C=C\CCOC(C)COC 34a_100016288707_100000765312 [0,2,0,0,0,0|2,0,0]=4 3075 B11R0.4 CC/C=C\CCOC(C)COC 7a_100016288707_100000765312 [0,2,0,0,0,0|2,0,0]=4 3076 B11R0.4 CC/C=C\CCO[C@H](C)COC 34a_100011934205_100015370543 [0,2,0,0,0,0|2,0,0]=4 3077 B11R0.4 CC/C=C\CCSC(C)CC#N 62a_100009813641_100015370543 [0,2,0,0,0,0|1,0,1]=4 3078 B11R0.4 CC/C=C\CCSC(C)CC#N 62a_100015370543_100009813641 [0,2,0,0,0,0|1,0,1]=4 3079 B11R0.4 CC/C=C\CCSC(C)CCC 62a_100000766640_100015370543 [0,2,0,0,0,0|1,0,1]=4 3080 B11R0.4 CC/C=C\CCSC(C)CCC 62a_100015370543_100000766640 [0,2,0,0,0,0|1,0,1]=4 3081 B11R0.4 CC/C=C\CCSC(C)CCO 62a_100009893172_100015370543 [0,2,0,0,0,0|0,0,2]=4 3082 B11R0.4 CC/C=C\CCSC(C)CCO 62a_100015370543_100009893172 [0,2,0,0,0,0|0,0,2]=4 3083 B11R0.4 CC/C=C\CCSC(C)COC 62a_100000765312_100015370543 [0,2,0,0,0,0|2,0,0]=4 3084 B11R0.4 CC/C=C\CCSC(C)COC 62a_100015370543_100000765312 [0,2,0,0,0,0|2,0,0]=4 3085 B11R0.4 CC/C=C\CNCC(O)COC 2230a_100000756049_100103147603 [0,2,0,0,0,0|2,0,0]=4 3086 B11R0.4 CC/C=C\CNCC(O)COC 34a_100000756049_100103147603 [0,2,0,0,0,0|2,0,0]=4 3087 B11R0.4 CC/C=C\COCC(C)CCC 34a_100000688023_100103147603 [0,2,0,0,0,0|1,0,1]=4 3088 B11R0.4 CC/C=C\COCC(C)CCC 34a_100016268518_100011216630 [0,2,0,0,0,0|1,0,1]=4 3089 B11R0.4 CC/C=C\COCC(C)CCC 7a_100000688023_100103147603 [0,2,0,0,0,0|1,0,1]=4 3090 B11R0.4 CC/C=C\COCC(C)CCN 34a_106354213184_100103147603 [0,2,0,0,0,0|1,0,1]=4 3091 B11R0.4 CC/C=C\COCC(N)COC 34a_100000724102_100103147603 [0,2,0,0,0,0|2,0,0]=4 3092 B11R0.4 CC/C=C\COCC(O)COC 34a_100016268518_100011215053 [0,2,0,0,0,0|2,0,0]=4 3093 B11R0.4 CC/C=C\COC[C@@H](N)CCC 34a_100000732646_100103147603 [0,2,0,0,0,0|1,0,1]=4 3094 B11R0.4 CC/C=C\CSCC(C)CCC 62a_100011216630_100103147603 [0,2,0,0,0,0|1,0,1]=4 3095 B11R0.4 CC/C=C\CSCC(C)CCC 62a_100103147603_100011216630 [0,2,0,0,0,0|1,0,1]=4 3096 B11R0.4 CC/C=C\CSCC(O)COC 62a_100011215053_100103147603 [0,2,0,0,0,0|2,0,0]=4 3097 B11R0.4 CC/C=C\CSCC(O)COC 62a_100103147603_100011215053 [0,2,0,0,0,0|2,0,0]=4 3098 B11R0.4 CC/C=C\CSC[C@@H](O)CC#N 62a_100000001066_100103147603 [0,2,0,0,0,0|1,0,1]=4 3099 B11R0.4 CC/C=C\CSC[C@@H](O)CC#N 62a_100103147603_100000001066 [0,2,0,0,0,0|1,0,1]=4 3100 B11R0.4 CCCC(=O)CSCCCC=O 62a_100000747444_200011292268 [0,2,0,0,0,0|0,0,1]=3 3101 B11R0.4 CCCC(=O)CSCCCC=O 62a_200011292268_100000747444 [0,2,0,0,0,0|0,0,1]=3 3102 B11R0.4 CCCC(C)CCCOCC=O 34a_100011713154_200009817547 [0,2,0,0,0,0|0,0,2]=4 3103 B11R0.4 CCCC(C)CCCOCC=O 7a_100011713154_200015260668 [0,2,0,0,0,0|0,0,2]=4 3104 B11R0.4 CCCC(C)COCCCC=O 7a_100000688023_200011292268 [0,2,0,0,0,0|0,0,2]=4 3105 B11R0.4 CCCC(C)CSCCCC=O 62a_100011216630_200011292268 [0,2,0,0,0,0|0,0,2]=4 3106 B11R0.4 CCCC(C)CSCCCC=O 62a_200011292268_100011216630 [0,2,0,0,0,0|0,0,2]=4 3107 B11R0.4 CCCC(C)NCCCCC=O 2230a_100000741246_100000139335 [0,2,0,0,0,0|0,0,2]=4 3108 B11R0.4 CCCC(C)OCCCCC=O 7a_100000764384_100000139335 [0,2,0,0,0,0|0,0,2]=4 3109 B11R0.4 CCCC(C)SCCCCC=O 62a_100000139335_100000766640 [0,2,0,0,0,0|0,0,2]=4 3110 B11R0.4 CCCC(C)SCCCCC=O 62a_100000766640_100000139335 [0,2,0,0,0,0|0,0,2]=4 3111 B11R0.4 CCCCCCCN(C)CC=O 2230a_100000228206_200015260668 [0,2,0,0,0,0|0,0,2]=4 3112 B11R0.4 CCCCCCCN(C)CC=O 269982a_100000228206_200015260668 [0,2,0,0,0,0|0,0,2]=4 3113 B11R0.4 CCCN(C)CCCCCC=O 2230a_100000747261_100000139337 [0,2,0,0,0,0|0,0,2]=4 3114 B11R0.4 CCCN(C)CCCCCC=O 269982a_100000747261_100000139337 [0,2,0,0,0,0|0,0,2]=4 3115 B11R0.4 CCNC(=O)CNCCCC=O 2230a_100016988866_200011292268 [0,2,0,0,0,0|1,0,0]=3 3116 B11R0.4 CCNC(=O)CSCCCC=O 62a_100000183381_200011292268 [0,2,0,0,0,0|1,0,0]=3 3117 B11R0.4 CCNC(=O)CSCCCC=O 62a_200011292268_100000183381 [0,2,0,0,0,0|1,0,0]=3 3118 B11R0.4 CCOC(=O)/C=C/CSCC=O 62a_100016267167_200015260668 [0,2,0,0,0,0|1,0,1]=4 3119 B11R0.4 CCOC(=O)/C=C/CSCC=O 62a_200015260668_100016267167 [0,2,0,0,0,0|1,0,1]=4 3120 B11R0.4 CCOC(=O)CCCOCC=O 7a_100012001163_200015260668 [0,2,0,0,0,0|1,0,0]=3 3121 B11R0.4 CCOC(=O)CCCSCC=O 62a_100009991533_200015260668 [0,2,0,0,0,0|1,0,0]=3 3122 B11R0.4 CCOC(=O)CCCSCC=O 62a_200015260668_100009991533 [0,2,0,0,0,0|1,0,0]=3 3123 B11R0.4 CCOC(=O)CSCCCC=O 62a_100000188475_200011292268 [0,2,0,0,0,0|1,0,0]=3 3124 B11R0.4 CCOC(=O)CSCCCC=O 62a_200011292268_100000188475 [0,2,0,0,0,0|1,0,0]=3 3125 B11R0.4 CCOC(=O)NCCOCC=O 34a_100000158857_200009817547 [0,2,0,0,0,0|2,0,0]=4 3126 B11R0.4 CCOC(=O)NCCSCC=O 62a_200015260668_200011445536 [0,2,0,0,0,0|2,0,0]=4 3127 B11R0.4 CN(CCO)CCCCCC=O 2230a_100000210263_100000139337 [0,2,0,0,0,0|1,0,1]=4 3128 B11R0.4 CN(CCO)CCCCCC=O 269982a_100000210263_100000139337 [0,2,0,0,0,0|1,0,1]=4 3129 B11R0.4 COCC(C)SCCCCC=O 62a_100000139335_100000765312 [0,2,0,0,0,0|1,0,1]=4 3130 B11R0.4 COCC(C)SCCCCC=O 62a_100000765312_100000139335 [0,2,0,0,0,0|1,0,1]=4 3131 B11R0.4 COC[C@@H](C)NCCCCC=O 2230a_100000764878_100000139335 [0,2,0,0,0,0|1,0,1]=4 3132 B11R0.4 C[C@H](CCO)NCCCCC=O 2230a_100000706166_100000139335 [0,2,0,0,0,0|1,0,1]=4 3133 B11R0.4 O=CCCCSCC(=O)NCO 62a_100000185155_200011292268 [0,2,0,0,0,0|2,0,0]=4 3134 B11R0.4 O=CCCCSCC(=O)NCO 62a_200011292268_100000185155 [0,2,0,0,0,0|2,0,0]=4 3135 B11R0.5 CCOC(=O)CC(C)SCC=O 62a_100009817359_200015260668 [0,2,0,0,0,0|2,0,0]=4 3136 B11R0.5 CCOC(=O)CC(C)SCC=O 62a_200015260668_100009817359 [0,2,0,0,0,0|2,0,0]=4 3137 B11R0.5 CCOC(=O)C[C@@H](C)OCC=O 7a_100009816390_200015260668 [0,2,0,0,0,0|2,0,0]=4 3138 B11R0.62 CCOC(=O)CCN(C)CC=O 2230a_100000745921_200015260668 [0,2,0,0,0,0|2,0,0]=4 3139 B11R0.62 CCOC(=O)CCN(C)CC=O 269982a_100000745921_200015260668 [0,2,0,0,0,0|2,0,0]=4 3140 B11R0.81 C#CCCC(=O)CC/C=C\CC 1458a_100000692101_100015370543 [0,2,0,0,0,0|1,0,1]=4 3141 B11R0.81 C#CCCCCC(=O)C=CCC 1458a_100000212282_100010269958 [0,2,0,0,0,0|1,0,1]=4 3142 B11R0.81 C=CCCC(=O)C/C=C/CCC 1458a_200016266809_100000754431 [0,2,0,0,0,0|1,0,1]=4 3143 B11R0.81 C=CCCC(=O)CC/C=C\CC 1458a_100000749702_100015370543 [0,2,0,0,0,0|1,0,0]=3 3144 B11R0.81 C=CCCC(C)OC/C=C\CC 34a_100000765329_100103147603 [0,2,0,0,0,0|1,0,0]=3 3145 B11R0.81 C=CCCC(C)OC/C=C\CC 7a_100000765329_100103147603 [0,2,0,0,0,0|1,0,0]=3 3146 B11R0.81 C=CCCCCC(=O)C#CCC 1458a_100011827653_100011215482 [0,2,0,0,0,0|1,0,1]=4 3147 B11R0.81 C=CCCCCC(=O)C/C=C/C 1458a_100011215552_100102629194 [0,2,0,0,0,0|1,0,1]=4 3148 B11R0.81 C=CCCCCC(=O)C=CCC 1458a_100000212282_100011215482 [0,2,0,0,0,0|1,0,0]=3 3149 B11R0.81 C=CCCCCC(=O)C=COC 1458a_100016268678_100011215482 [0,2,0,0,0,0|1,0,1]=4 3150 B11R0.81 C=CCCCCC(=O)CC=CC 1458a_100011215552_100000070051 [0,2,0,0,0,0|1,0,1]=4 3151 B11R0.81 C=CCCCCC(=O)CC=CC 1458a_100121576822_100011215482 [0,2,0,0,0,0|1,0,1]=4 3152 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100000210183_100011215482 [0,2,0,0,0,0|1,0,1]=4 3153 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100011215552_100000210211 [0,2,0,0,0,0|1,0,1]=4 3154 B11R0.81 C=CCCCCC(=O)CCCF 1458a_100011215552_100011934791 [0,2,0,0,0,0|1,0,1]=4 3155 B11R0.81 C=CCCCCC(=O)CCCO 1458a_100011215552_100011215043 [0,2,0,0,0,0|1,0,1]=4 3156 B11R0.81 C=CCCCCC(=O)CCOC 1458a_100000749529_100011215482 [0,2,0,0,0,0|1,0,1]=4 3157 B11R0.81 C=CCCCCC(=O)CCOC 1458a_100011215552_100000233755 [0,2,0,0,0,0|1,0,1]=4 3158 B11R0.81 C=CCCCCC(=O)CCSC 1458a_100000174002_100011215482 [0,2,0,0,0,0|1,0,1]=4 3159 B11R0.81 C=CCCCCC(=O)CCSC 1458a_100011215552_100000751147 [0,2,0,0,0,0|1,0,1]=4 3160 B11R0.81 C=CCCCCC(=O)COCC 1458a_100000211967_100011215482 [0,2,0,0,0,0|1,0,1]=4 3161 B11R0.81 C=CCCCCC(=O)CSCC 1458a_100000230394_100011215482 [0,2,0,0,0,0|1,0,1]=4 3162 B11R0.81 C=CCCCCC(=O)NCCC 11a_100020643023_100011215552 [0,2,0,0,0,0|1,0,1]=4 3163 B11R0.81 C=CCCCCC(=O)NCCC 1626a_100020643023_100011215552 [0,2,0,0,0,0|1,0,1]=4 3164 B11R0.81 C=CCCCCC(=O)NCCC 240690a_100020643023_100011215552 [0,2,0,0,0,0|1,0,1]=4 3165 B11R0.81 C=CCCCCC(=O)NCCC 527a_100020643023_100011215552 [0,2,0,0,0,0|1,0,1]=4 3166 B11R0.81 C=CCCCCC(=O)NCCF 11a_100000724931_100011215552 [0,2,0,0,0,0|2,0,0]=4 3167 B11R0.81 C=CCCCCC(=O)NCCF 1626a_100000724931_100011215552 [0,2,0,0,0,0|2,0,0]=4 3168 B11R0.81 C=CCCCCC(=O)NCCF 240690a_100000724931_100011215552 [0,2,0,0,0,0|2,0,0]=4 3169 B11R0.81 C=CCCCCC(=O)NCCF 527a_100000724931_100011215552 [0,2,0,0,0,0|2,0,0]=4 3170 B11R0.81 C=CCCCCC(=O)NCCO 240690a_100000210304_100011215552 [0,2,0,0,0,0|2,0,0]=4 3171 B11R0.81 C=CCCCCC(=O)NCCO 527a_100000210304_100011215552 [0,2,0,0,0,0|2,0,0]=4 3172 B11R0.81 C=CCCCCC(=O)NNCC 22a_100000756455_100011215552 [0,2,0,0,0,0|2,0,0]=4 3173 B11R0.81 C=CCCCNC(=O)C=CCC 11a_100000700776_100000212282 [0,2,0,0,0,0|1,0,1]=4 3174 B11R0.81 C=CCCCNC(=O)C=CCC 1626a_100000700776_100000212282 [0,2,0,0,0,0|1,0,1]=4 3175 B11R0.81 C=CCCCNC(=O)C=CCC 240690a_100000700776_100000212282 [0,2,0,0,0,0|1,0,1]=4 3176 B11R0.81 C=CCCN(C)CC/C=C\CC 2230a_100020639649_100015370543 [0,2,0,0,0,0|1,0,0]=3 3177 B11R0.81 C=CCCN(C)CC/C=C\CC 269982a_100020639649_100015370543 [0,2,0,0,0,0|1,0,0]=3 3178 B11R0.81 CC/C=C\CCC(=O)CCC#N 1458a_100011934036_100015370543 [0,2,0,0,0,0|1,0,1]=4 3179 B11R0.81 CC/C=C\CCC(=O)CCCC 1458a_100000210183_100015370543 [0,2,0,0,0,0|1,0,1]=4 3180 B11R0.81 CC/C=C\CCC(=O)CCOC 1458a_100000749529_100015370543 [0,2,0,0,0,0|2,0,0]=4 3181 B11R0.81 CC/C=C\CCC(=O)CCSC 1458a_100000174002_100015370543 [0,2,0,0,0,0|2,0,0]=4 3182 B11R0.81 CC/C=C\CCN(C)CCC#N 2230a_100000184479_100015370543 [0,2,0,0,0,0|1,0,1]=4 3183 B11R0.81 CC/C=C\CCN(C)CCCC 2230a_100000207549_100015370543 [0,2,0,0,0,0|1,0,1]=4 3184 B11R0.81 CC/C=C\CCN(C)CCCC 269982a_100000207549_100015370543 [0,2,0,0,0,0|1,0,1]=4 3185 B11R0.81 CC/C=C\CCN(C)CCCO 2230a_100000213112_100015370543 [0,2,0,0,0,0|0,0,2]=4 3186 B11R0.81 CC/C=C\CCN(C)CCCO 269982a_100000213112_100015370543 [0,2,0,0,0,0|0,0,2]=4 3187 B11R0.81 CC/C=C\CCN(C)CCOC 2230a_100000743101_100015370543 [0,2,0,0,0,0|2,0,0]=4 3188 B11R0.81 CC/C=C\CCN(C)CCOC 269982a_100000743101_100015370543 [0,2,0,0,0,0|2,0,0]=4 3189 B11R0.81 CC/C=C\CCN(C)CCSC 2230a_100000686725_100015370543 [0,2,0,0,0,0|2,0,0]=4 3190 B11R0.81 CC/C=C\CCN(C)CCSC 269982a_100000686725_100015370543 [0,2,0,0,0,0|2,0,0]=4 3191 B11R0.81 CC/C=C\CNC(C)CCCC 2230a_100000126638_100103147603 [0,2,0,0,0,0|1,0,1]=4 3192 B11R0.81 CC/C=C\COC(C)CCCC 34a_100000687866_100103147603 [0,2,0,0,0,0|1,0,1]=4 3193 B11R0.81 CC/C=C\COC(C)CCCC 34a_100016268518_200011215066 [0,2,0,0,0,0|1,0,1]=4 3194 B11R0.81 CC/C=C\COC(C)CCCC 7a_100000687866_100103147603 [0,2,0,0,0,0|1,0,1]=4 3195 B11R0.81 CC/C=C\COC(C)CCCCl 34a_200000718107_100103147603 [0,2,0,0,0,0|1,0,1]=4 3196 B11R0.81 CC/C=C\COC(C)CCCCl 7a_200000718107_100103147603 [0,2,0,0,0,0|1,0,1]=4 3197 B11R0.81 CC/C=C\CSC(C)CCCC 62a_100103147603_200011215066 [0,2,0,0,0,0|1,0,1]=4 3198 B11R0.81 CC/C=C\CSC(C)CCCC 62a_200011215066_100103147603 [0,2,0,0,0,0|1,0,1]=4 3199 B11R0.81 CC=CCC(=O)CC/C=C\CC 1458a_100121576822_100015370543 [0,2,0,0,0,0|1,0,1]=4 3200 B11R0.81 CCC#CC(C)OCCCC=O 7a_100000033903_200011292268 [0,2,0,0,0,0|0,0,2]=4 3201 B11R0.81 CCC=CC(=O)CCCCC#N 1458a_100000212282_100000211819 [0,2,0,0,0,0|1,0,1]=4 3202 B11R0.81 CCC=CC(=O)CCCCCC 1458a_100000212282_100000210757 [0,2,0,0,0,0|1,0,1]=4 3203 B11R0.81 CCC=CC(=O)CCCCCF 1458a_100000212282_100000729378 [0,2,0,0,0,0|1,0,1]=4 3204 B11R0.81 CCC=CC(=O)CCCCCO 1458a_100000212282_100000746330 [0,2,0,0,0,0|0,0,2]=4 3205 B11R0.81 CCC=CC(=O)CCCCOC 1458a_100000212282_100000755781 [0,2,0,0,0,0|2,0,0]=4 3206 B11R0.81 CCCCC(C)NCCCC=O 2230a_100000126638_200011292268 [0,2,0,0,0,0|0,0,2]=4 3207 B11R0.81 CCCCC(C)OCCCC=O 7a_100000687866_200011292268 [0,2,0,0,0,0|0,0,2]=4 3208 B11R0.81 CCCCC(C)SCCCC=O 62a_200011215066_200011292268 [0,2,0,0,0,0|0,0,2]=4 3209 B11R0.81 CCCCC(C)SCCCC=O 62a_200011292268_200011215066 [0,2,0,0,0,0|0,0,2]=4 3210 B11R0.81 CCCCCCC(C)NCC=O 2230a_100000210919_200015260668 [0,2,0,0,0,0|0,0,2]=4 3211 B11R0.81 CCCCCCC(C)NCC=O 34a_100000210919_200009817547 [0,2,0,0,0,0|0,0,2]=4 3212 B11R0.81 CCCCCCC(C)OCC=O 34a_100000210265_200009817547 [0,2,0,0,0,0|0,0,2]=4 3213 B11R0.81 CCCCCCC(C)OCC=O 7a_100000210265_200015260668 [0,2,0,0,0,0|0,0,2]=4 3214 B11R0.81 CCCCCCC(C)SCC=O 62a_100011215978_200015260668 [0,2,0,0,0,0|0,0,2]=4 3215 B11R0.81 CCCCCCC(C)SCC=O 62a_200015260668_100011215978 [0,2,0,0,0,0|0,0,2]=4 3216 B11R0.81 CCCCN(C)CCCCC=O 2230a_100000207549_100000139335 [0,2,0,0,0,0|0,0,2]=4 3217 B11R0.81 CCCCN(C)CCCCC=O 269982a_100000207549_100000139335 [0,2,0,0,0,0|0,0,2]=4 3218 B11R0.81 CCOCC(C)OCCCC=O 7a_100000718985_200011292268 [0,2,0,0,0,0|1,0,1]=4 3219 B11R0.81 CN(CCCO)CCCCC=O 2230a_100000213112_100000139335 [0,2,0,0,0,0|1,0,1]=4 3220 B11R0.81 CN(CCCO)CCCCC=O 269982a_100000213112_100000139335 [0,2,0,0,0,0|1,0,1]=4 3221 B11R0.81 COCCN(C)CCCCC=O 2230a_100000743101_100000139335 [0,2,0,0,0,0|1,0,1]=4 3222 B11R0.81 COCCN(C)CCCCC=O 269982a_100000743101_100000139335 [0,2,0,0,0,0|1,0,1]=4 3223 B11R0.81 CSCCN(C)CCCCC=O 2230a_100000686725_100000139335 [0,2,0,0,0,0|1,0,1]=4 3224 B11R0.81 CSCCN(C)CCCCC=O 269982a_100000686725_100000139335 [0,2,0,0,0,0|1,0,1]=4 3225 B11R0.142 C=CC(C)C(=O)CC/C=C\CC 1458a_100011216780_100015370543 [0,2,0,0,0,0|1,0,1]=4 3226 B11R0.142 C=CCCCCC(=O)/C(=C/C)/C 1458a_100020587367_100011215482 [0,2,0,0,0,0|1,0,1]=4 3227 B11R0.142 C=CCCCCC(=O)C(=O)NC 1458a_100011218921_100011215482 [0,2,0,0,0,0|2,0,0]=4 3228 B11R0.142 C=CCCCCC(=O)C(C)CC 1458a_100011192722_100011215482 [0,2,0,0,0,0|1,0,1]=4 3229 B11R0.142 C=CCCCCC(=O)C(C)CC 1458a_100011215552_100000758301 [0,2,0,0,0,0|1,0,1]=4 3230 B11R0.142 C=CCCCCC(=O)C(O)CC 1458a_100011196387_100011215482 [0,2,0,0,0,0|1,0,1]=4 3231 B11R0.142 C=CCCCCC(=O)N(C)CC 11a_100000225621_100011215552 [0,2,0,0,0,0|2,0,0]=4 3232 B11R0.142 C=CCCCCC(=O)N(C)CC 1626a_100000225621_100011215552 [0,2,0,0,0,0|2,0,0]=4 3233 B11R0.142 C=CCCCCC(=O)N(C)CC 240690a_100000225621_100011215552 [0,2,0,0,0,0|2,0,0]=4 3234 B11R0.142 C=CCCCCC(=O)N(C)CC 527a_100000225621_100011215552 [0,2,0,0,0,0|2,0,0]=4 3235 B11R0.142 C=CCCCCN(C)C(=O)CC 11a_100012000471_100000210414 [0,2,0,0,0,0|2,0,0]=4 3236 B11R0.142 C=CCCCCN(C)C(=O)CC 1626a_100012000471_100000210414 [0,2,0,0,0,0|2,0,0]=4 3237 B11R0.142 C=CCCCCN(C)C(=O)CC 240690a_100012000471_100000210414 [0,2,0,0,0,0|2,0,0]=4 3238 B11R0.142 C=CCCCCN(C)C(=O)CC 527a_100012000471_100000210414 [0,2,0,0,0,0|2,0,0]=4 3239 B11R0.142 C=C[C@@H](C)[C@@H](C)OC/C=C\CC 34a_100015455354_100103147603 [0,2,0,0,0,0|2,0,0]=4 3240 B11R0.142 C=C[C@@H](C)[C@@H](C)OC/C=C\CC 7a_100015455354_100103147603 [0,2,0,0,0,0|2,0,0]=4 3241 B11R0.142 CCC(=O)C(C)SCCCC=O 62a_100000742827_200011292268 [0,2,0,0,0,0|1,0,1]=4 3242 B11R0.142 CCC(=O)C(C)SCCCC=O 62a_200011292268_100000742827 [0,2,0,0,0,0|1,0,1]=4 3243 B11R0.142 CCC(C)N(C)CCCCC=O 2230a_100000741768_100000139335 [0,2,0,0,0,0|1,0,1]=4 3244 B11R0.142 CCC(C)N(C)CCCCC=O 269982a_100000741768_100000139335 [0,2,0,0,0,0|1,0,1]=4 3245 B11R0.155 C=CCC(C)C(=O)C/C=C\CC 1458a_100011216819_100103147603 [0,2,0,0,0,0|1,0,1]=4 3246 B11R0.155 C=CCCCC(=O)/C(=C/CC)/C 1458a_100016988807_100000757094 [0,2,0,0,0,0|1,0,1]=4 3247 B11R0.161 C=CCC(C=C)OC/C=C\CC 34a_100000038011_100103147603 [0,2,0,0,0,0|2,0,0]=4 3248 B11R0.161 C=CCC(C=C)OC/C=C\CC 7a_100000038011_100103147603 [0,2,0,0,0,0|2,0,0]=4 3249 B11R0.161 C=CC[C@H](CO)NC/C=C\CC 2230a_100020615467_100103147603 [0,2,0,0,0,0|2,0,0]=4 3250 B11R0.161 CCCN(CC)CCCCC=O 2230a_100000226822_100000139335 [0,2,0,0,0,0|1,0,1]=4 3251 B11R0.161 CCCN(CC)CCCCC=O 269982a_100000226822_100000139335 [0,2,0,0,0,0|1,0,1]=4 3252 B11R0.176 CC#CC(=O)CCCCC(=O)C 1458a_100000763181_100000735457 [0,2,0,0,0,0|0,0,2]=4 3253 B11R0.176 CC(=O)CCCCC(=O)C=CBr 1458a_100016273825_100000735457 [0,2,0,0,0,0|1,0,1]=4 3254 B11R0.176 CC(=O)CCCCC(=O)C=CCl 1458a_200016279998_100000735457 [0,2,0,0,0,0|1,0,1]=4 3255 B11R0.176 CC(=O)CCCCC(=O)C=CI 1458a_100016256311_100000735457 [0,2,0,0,0,0|1,0,1]=4 3256 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [0,2,0,0,0,0|1,0,1]=4 3257 B11R0.176 CC=CC(=O)CCCCC(=O)C 1458a_100000210699_100000735457 [0,2,0,0,0,0|0,0,1]=3 3258 B11R0.176 CC=CC(=O)CCCOC(=O)C 1458a_100000210699_100000042594 [0,2,0,0,0,0|1,0,1]=4 3259 B11R0.176 CC=CC(=O)CCCSC(=O)C 1458a_100000210699_100000038929 [0,2,0,0,0,0|1,0,1]=4 3260 B11R0.176 CC=CC(=O)CCOCC(=O)N 1458a_100000210699_100000076697 [0,2,0,0,0,0|1,0,1]=4 3261 B11R0.176 CC=CC(=O)NCCCC(=O)N 240690a_100000739312_100000210699 [0,2,0,0,0,0|1,0,1]=4 3262 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,2,0,0,0,0|0,0,1]=3 3263 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [0,2,0,0,0,0|1,0,1]=4 3264 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [0,2,0,0,0,0|1,0,1]=4 3265 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [0,2,0,0,0,0|1,0,1]=4 3266 B11R0.176 CCCC(=O)CCOCC(=O)N 1458a_100000211992_100000076697 [0,2,0,0,0,0|1,0,1]=4 3267 B11R0.176 CCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210303 [0,2,0,0,0,0|1,0,1]=4 3268 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [0,2,0,0,0,0|1,0,1]=4 3269 B11R0.176 CCCC(=O)COCCC(=O)N 7a_100000757172_100000747444 [0,2,0,0,0,0|1,0,1]=4 3270 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000053229_100000747444 [0,2,0,0,0,0|1,0,1]=4 3271 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000747444_100000053229 [0,2,0,0,0,0|1,0,1]=4 3272 B11R0.176 CCCC(=O)CSCCC(=O)N 62a_100000744528_100000747444 [0,2,0,0,0,0|1,0,1]=4 3273 B11R0.176 CCCC(=O)CSCCC(=O)N 62a_100000747444_100000744528 [0,2,0,0,0,0|1,0,1]=4 3274 B11R0.176 CCCC(=O)NCCCC(=O)N 240690a_100000739312_100000211992 [0,2,0,0,0,0|1,0,1]=4 3275 B11R0.176 CCCC(=O)NCCCC(=O)N 527a_100000739312_100000211992 [0,2,0,0,0,0|1,0,1]=4 3276 B11R0.176 CCCN(C)CCCCC(=O)C 269982a_100000747261_100000735457 [0,2,0,0,0,0|1,0,1]=4 3277 B11R0.176 CCNC(=O)CCCNC(=O)C 11a_100015525214_100000194741 [0,2,0,0,0,0|2,0,0]=4 3278 B11R0.176 CCNC(=O)CCCNC(=O)C 240690a_100015525214_100000194741 [0,2,0,0,0,0|2,0,0]=4 3279 B11R0.176 CCNC(=O)CCCNC(=O)C 527a_100015525214_100000194741 [0,2,0,0,0,0|2,0,0]=4 3280 B11R0.176 CCNC(=O)CCNCC(=O)N 2230a_100000711301_100000737597 [0,2,0,0,0,0|2,0,0]=4 3281 B11R0.176 CCNC(=O)CCNCC(=O)N 34a_100025743525_100000187820 [0,2,0,0,0,0|2,0,0]=4 3282 B11R0.176 CCNC(=O)CCNCC(=O)O 269956a_100016091260_100000737597 [0,2,0,0,0,0|2,0,0]=4 3283 B11R0.176 CCNC(=O)CCNCC(=O)[O-] 34a_100025743525_100020667443 [0,2,0,0,0,0|2,0,0]=4 3284 B11R0.176 CCNC(=O)CCSCC(=O)N 11a_100015525214_100000148550 [0,2,0,0,0,0|2,0,0]=4 3285 B11R0.176 CCNC(=O)CCSCC(=O)N 240690a_100015525214_100000148550 [0,2,0,0,0,0|2,0,0]=4 3286 B11R0.176 CCNC(=O)CCSCC(=O)N 527a_100015525214_100000148550 [0,2,0,0,0,0|2,0,0]=4 3287 B11R0.176 CCNC(=O)CCSCC(=O)N 62a_100000737597_100000747473 [0,2,0,0,0,0|2,0,0]=4 3288 B11R0.176 CCNC(=O)CCSCC(=O)N 62a_100000747473_100000737597 [0,2,0,0,0,0|2,0,0]=4 3289 B11R0.176 CCNC(=O)CCSCC(=O)[O-] 62a_100000737597_100020667443 [0,2,0,0,0,0|2,0,0]=4 3290 B11R0.176 CCNC(=O)CCSCC(=O)[O-] 62a_100020667443_100000737597 [0,2,0,0,0,0|2,0,0]=4 3291 B11R0.176 CCNC(=O)CNCCC(=O)N 2230a_100016988866_100000744528 [0,2,0,0,0,0|2,0,0]=4 3292 B11R0.176 CCNC(=O)COCCC(=O)C 34a_100000759926_100000183381 [0,2,0,0,0,0|2,0,0]=4 3293 B11R0.176 CCNC(=O)COCCC(=O)C 7a_100000759926_100000183381 [0,2,0,0,0,0|2,0,0]=4 3294 B11R0.176 CCNC(=O)COCCC(=O)N 34a_100000757172_100000183381 [0,2,0,0,0,0|2,0,0]=4 3295 B11R0.176 CCNC(=O)COCCC(=O)N 7a_100000757172_100000183381 [0,2,0,0,0,0|2,0,0]=4 3296 B11R0.176 CCNC(=O)CSCCC(=O)C 62a_100000053229_100000183381 [0,2,0,0,0,0|2,0,0]=4 3297 B11R0.176 CCNC(=O)CSCCC(=O)C 62a_100000183381_100000053229 [0,2,0,0,0,0|2,0,0]=4 3298 B11R0.176 CCNC(=O)CSCCC(=O)N 62a_100000183381_100000744528 [0,2,0,0,0,0|2,0,0]=4 3299 B11R0.176 CCNC(=O)CSCCC(=O)N 62a_100000744528_100000183381 [0,2,0,0,0,0|2,0,0]=4 3300 B11R0.176 CCNC(=O)NCCCC(=O)N 273464a_100000739312_100015525214 [0,2,0,0,0,0|2,0,0]=4 3301 B11R0.176 CCNC(=O)NCCCC(=O)N 273464a_100015525214_100000739312 [0,2,0,0,0,0|2,0,0]=4 3302 B11R0.176 CCNC(=O)NCCCC(=O)N 512a_100000739312_100015525214 [0,2,0,0,0,0|2,0,0]=4 3303 B11R0.176 CCNC(=O)NCCCC(=O)N 512a_100015525214_100000739312 [0,2,0,0,0,0|2,0,0]=4 3304 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [0,2,0,0,0,0|1,0,0]=3 3305 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [0,2,0,0,0,0|1,0,0]=3 3306 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [0,2,0,0,0,0|1,0,0]=3 3307 B11R0.176 CCOC(=O)CCCNC(=O)C 188690a_100000211256_100015343762 [0,2,0,0,0,0|2,0,0]=4 3308 B11R0.176 CCOC(=O)CCNCC(=O)N 2230a_100000711301_100011206558 [0,2,0,0,0,0|2,0,0]=4 3309 B11R0.176 CCOC(=O)CCNCC(=O)O 269956a_100016091260_100000765890 [0,2,0,0,0,0|2,0,0]=4 3310 B11R0.176 CCOC(=O)CCOCC(=O)C 34a_100000211253_100000765890 [0,2,0,0,0,0|2,0,0]=4 3311 B11R0.176 CCOC(=O)CCSCC(=O)N 62a_100000747473_100000765890 [0,2,0,0,0,0|2,0,0]=4 3312 B11R0.176 CCOC(=O)CCSCC(=O)N 62a_100000765890_100000747473 [0,2,0,0,0,0|2,0,0]=4 3313 B11R0.176 CCOC(=O)CCSCC(=O)[O-] 62a_100000765890_100020667443 [0,2,0,0,0,0|2,0,0]=4 3314 B11R0.176 CCOC(=O)CCSCC(=O)[O-] 62a_100020667443_100000765890 [0,2,0,0,0,0|2,0,0]=4 3315 B11R0.176 CCOC(=O)COCCC(=O)C 1458a_100000070787_100000088970 [0,2,0,0,0,0|2,0,0]=4 3316 B11R0.176 CCOC(=O)COCCC(=O)C 34a_100000759926_100000188475 [0,2,0,0,0,0|2,0,0]=4 3317 B11R0.176 CCOC(=O)COCCC(=O)C 7a_100000759926_100000188475 [0,2,0,0,0,0|2,0,0]=4 3318 B11R0.176 CCOC(=O)COCCC(=O)N 34a_100000757172_100000188475 [0,2,0,0,0,0|2,0,0]=4 3319 B11R0.176 CCOC(=O)COCCC(=O)N 7a_100000757172_100000188475 [0,2,0,0,0,0|2,0,0]=4 3320 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000053229_100000188475 [0,2,0,0,0,0|2,0,0]=4 3321 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000188475_100000053229 [0,2,0,0,0,0|2,0,0]=4 3322 B11R0.176 CCOC(=O)CSCCC(=O)N 62a_100000188475_100000744528 [0,2,0,0,0,0|2,0,0]=4 3323 B11R0.176 CCOC(=O)CSCCC(=O)N 62a_100000744528_100000188475 [0,2,0,0,0,0|2,0,0]=4 3324 B11R0.176 COCC(=O)CCCCC(=O)C 1458a_100000210968_100000735457 [0,2,0,0,0,0|1,0,1]=4 3325 B11R0.176 CSCC(=O)CCCCC(=O)C 1458a_100000184570_100000735457 [0,2,0,0,0,0|1,0,1]=4 3326 B11R0.304 C=CCC(C)(C)OC/C=C\CC 7a_100011995686_100103147603 [0,2,0,0,0,0|2,0,0]=4 3327 B11R0.30 CC(=O)CCCC/C=C/C(C)C 1458a_200016995844_200000210301 [0,2,0,0,0,0|0,0,0]=2 3328 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [0,2,0,0,0,0|0,0,2]=4 3329 B11R0.30 CC(=O)CCCCNCC(C)C 34a_100000210953_100009817362 [0,2,0,0,0,0|1,0,1]=4 3330 B11R0.30 CC(=O)CCCCNCC(C)O 34a_100000210904_100009817362 [0,2,0,0,0,0|1,0,1]=4 3331 B11R0.30 CC(=O)CCCCOCC(C)Br 34a_100012180447_100009817362 [0,2,0,0,0,0|1,0,1]=4 3332 B11R0.30 CC(=O)CCCCOCC(C)C 34a_100000210257_100009817362 [0,2,0,0,0,0|1,0,1]=4 3333 B11R0.30 CC(=O)CCCCOCC(C)F 34a_100015925927_100009817362 [0,2,0,0,0,0|1,0,1]=4 3334 B11R0.30 CC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100009817362 [0,2,0,0,0,0|1,0,1]=4 3335 B11R0.30 CC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100009817362 [0,2,0,0,0,0|1,0,1]=4 3336 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000210624_100000735457 [0,2,0,0,0,0|1,0,1]=4 3337 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000735457_100000210760 [0,2,0,0,0,0|1,0,1]=4 3338 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100000735457_100011218427 [0,2,0,0,0,0|1,0,1]=4 3339 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100011218427_100000735457 [0,2,0,0,0,0|1,0,1]=4 3340 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100000735457_100009817552 [0,2,0,0,0,0|1,0,1]=4 3341 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000735457 [0,2,0,0,0,0|1,0,1]=4 3342 B11R0.30 CC(C)/C=C/CCCCC(=O)[13CH3] 1458a_200016995844_200025704644 [0,2,0,0,0,0|0,0,0]=2 3343 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [0,2,0,0,0,0|0,0,2]=4 3344 B11R0.30 CC(C)CNCCCCC(=O)N 270004a_100000696515_100000210432 [0,2,0,0,0,0|1,0,1]=4 3345 B11R0.30 CC(C)CNCCCCC(=O)N 34a_100000696515_100000210624 [0,2,0,0,0,0|1,0,1]=4 3346 B11R0.30 CC(C)COCCCCC(=O)N 34a_100012022536_100000210624 [0,2,0,0,0,0|1,0,1]=4 3347 B11R0.30 CC(C)COCCCCC(=O)N 7a_100012022536_100000210760 [0,2,0,0,0,0|1,0,1]=4 3348 B11R0.30 CC(C)NCCCCCC(=O)N 2230a_100138425928_100009817443 [0,2,0,0,0,0|1,0,1]=4 3349 B11R0.30 CC(C)NCCCCCC(=O)N 34a_100138425928_100009817443 [0,2,0,0,0,0|1,0,1]=4 3350 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000123541_100000210206 [0,2,0,0,0,0|1,0,1]=4 3351 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000212225_100009817443 [0,2,0,0,0,0|1,0,1]=4 3352 B11R0.30 CC(C)OCCCCCC(=O)N 7a_100000123541_100000210206 [0,2,0,0,0,0|1,0,1]=4 3353 B11R0.30 CC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000210206 [0,2,0,0,0,0|1,0,1]=4 3354 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100000210206_100009817443 [0,2,0,0,0,0|1,0,1]=4 3355 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100009817443_100000210206 [0,2,0,0,0,0|1,0,1]=4 3356 B11R0.30 CC(O)CNCCCCC(=O)N 34a_100000696515_100011218427 [0,2,0,0,0,0|1,0,1]=4 3357 B11R0.30 CC(O)COCCCCC(=O)N 34a_100012022536_100011218427 [0,2,0,0,0,0|1,0,1]=4 3358 B11R0.30 CC(O)COCCCCC(=O)N 7a_100012022536_100011218427 [0,2,0,0,0,0|1,0,1]=4 3359 B11R0.30 C[C@@H](O)CNCCCCC(=O)N 34a_100000696515_100009817552 [0,2,0,0,0,0|1,0,1]=4 3360 B11R0.30 C[C@@H](O)COCCCCC(=O)N 34a_100012022536_100009817552 [0,2,0,0,0,0|1,0,1]=4 3361 B11R0.30 C[C@@H](O)COCCCCC(=O)N 7a_100012022536_100009817552 [0,2,0,0,0,0|1,0,1]=4 3362 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [0,2,0,0,0,0|0,0,2]=4 3363 B11R0.40 C#CC(C)NCCCCCC=O 2230a_100000707721_100000139337 [0,2,0,0,0,0|1,0,1]=4 3364 B11R0.40 C#CC(C)OCCC/C=C/CC 34a_100016287902_200000035995 [0,2,0,0,0,0|1,0,1]=4 3365 B11R0.40 C#CC(C)SCCCCCC=O 62a_200000035995_100000139337 [0,2,0,0,0,0|1,0,1]=4 3366 B11R0.40 C#C[C@@H](C)OCCCCCC=O 7a_100009815206_100000139337 [0,2,0,0,0,0|1,0,1]=4 3367 B11R0.40 C=C(C#N)COCC/C=C\CC 34a_100016288707_100000694840 [0,2,0,0,0,0|2,0,0]=4 3368 B11R0.40 C=C(C#N)CSCC/C=C\CC 62a_100015370543_100000694840 [0,2,0,0,0,0|2,0,0]=4 3369 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [0,2,0,0,0,0|0,0,2]=4 3370 B11R0.40 C=CC(C)COCC/C=C\CC 34a_100011215527_100015370543 [0,2,0,0,0,0|1,0,0]=3 3371 B11R0.40 C=CC(C)COCC/C=C\CC 7a_100011215527_100015370543 [0,2,0,0,0,0|1,0,0]=3 3372 B11R0.40 C=CC(C)COCCCCC=O 7a_100011215527_100000139335 [0,2,0,0,0,0|1,0,1]=4 3373 B11R0.40 C=CC(C)SCCCCCC=O 62a_100011215867_100000139337 [0,2,0,0,0,0|1,0,1]=4 3374 B11R0.40 C=CC(O)COC/C=C/CCC 34a_100016278788_100000730141 [0,2,0,0,0,0|2,0,0]=4 3375 B11R0.40 C=CC(O)COC/C=C/CCC 7a_100016278788_100000730141 [0,2,0,0,0,0|2,0,0]=4 3376 B11R0.40 C=CC(O)COCC/C=C\CC 34a_100016288707_100000730141 [0,2,0,0,0,0|1,0,0]=3 3377 B11R0.40 C=CC(O)COCC/C=C\CC 7a_100016288707_100000730141 [0,2,0,0,0,0|1,0,0]=3 3378 B11R0.40 C=CC(O)CSCC/C=C\CC 62a_100000730141_100015370543 [0,2,0,0,0,0|1,0,0]=3 3379 B11R0.40 C=CC(O)CSCC/C=C\CC 62a_100015370543_100000730141 [0,2,0,0,0,0|1,0,0]=3 3380 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [0,2,0,0,0,0|1,0,1]=4 3381 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [0,2,0,0,0,0|1,0,1]=4 3382 B11R0.40 C=CCCCCOCC(=O)CC 34a_100000725409_100011215482 [0,2,0,0,0,0|1,0,1]=4 3383 B11R0.40 C=CCCCCOCC(=O)CC 7a_100000766645_100000747405 [0,2,0,0,0,0|1,0,1]=4 3384 B11R0.40 C=CCCCCSCC(=O)CC 62a_100000747405_100011215482 [0,2,0,0,0,0|1,0,1]=4 3385 B11R0.40 C=CCCCCSCC(=O)CC 62a_100011215482_100000747405 [0,2,0,0,0,0|1,0,1]=4 3386 B11R0.40 C=CCCNCCNC(=O)CC 34a_100132302217_100000754431 [0,2,0,0,0,0|2,0,0]=4 3387 B11R0.40 C=CCCOCCNC(=O)CC 34a_200000158885_100000754431 [0,2,0,0,0,0|2,0,0]=4 3388 B11R0.40 C=CCCOCCNC(=O)CC 7a_200000158885_100000754431 [0,2,0,0,0,0|2,0,0]=4 3389 B11R0.40 C=CCCOCCOC(=O)CC 7a_200000031056_100000754431 [0,2,0,0,0,0|2,0,0]=4 3390 B11R0.40 C=C[C@H](N)COCC/C=C\CC 34a_100016989147_100015370543 [0,2,0,0,0,0|1,0,0]=3 3391 B11R0.40 CC(C#N)NCCCCCC=O 2230a_100000737613_100000139337 [0,2,0,0,0,0|1,0,1]=4 3392 B11R0.40 CC(C#N)SCCCCCC=O 62a_100000139337_100000703298 [0,2,0,0,0,0|1,0,1]=4 3393 B11R0.40 CC(C#N)SCCCCCC=O 62a_100000703298_100000139337 [0,2,0,0,0,0|1,0,1]=4 3394 B11R0.40 CC(CF)OCCCCCC=O 7a_100016041109_100000139337 [0,2,0,0,0,0|1,0,1]=4 3395 B11R0.40 CC(CO)SCCCCCC=O 62a_100012180447_100000139337 [0,2,0,0,0,0|1,0,1]=4 3396 B11R0.40 CC/C=C/CCCOC(C)C#N 7a_100016287902_100000703298 [0,2,0,0,0,0|1,0,1]=4 3397 B11R0.40 CC/C=C/CCCOC(C)CC 34a_100016287902_100011215416 [0,2,0,0,0,0|1,0,1]=4 3398 B11R0.40 CC/C=C/CCCOC(C)CC 7a_100016287902_100000758301 [0,2,0,0,0,0|1,0,1]=4 3399 B11R0.40 CC/C=C/CCCOC(C)CO 34a_100016287902_100012180447 [0,2,0,0,0,0|0,0,2]=4 3400 B11R0.40 CC/C=C/CCCOC(C)CO 7a_100016287902_100012180447 [0,2,0,0,0,0|0,0,2]=4 3401 B11R0.40 CC/C=C\CCNCC(=O)NC 2230a_100000693194_100015370543 [0,2,0,0,0,0|1,0,0]=3 3402 B11R0.40 CC/C=C\CCNCC(C)CC 2230a_100020588543_100015370543 [0,2,0,0,0,0|1,0,1]=4 3403 B11R0.40 CC/C=C\CCNCC(C)CO 34a_100000744482_100015370543 [0,2,0,0,0,0|0,0,2]=4 3404 B11R0.40 CC/C=C\CCNCC(O)CC 2230a_100011218483_100015370543 [0,2,0,0,0,0|1,0,1]=4 3405 B11R0.40 CC/C=C\CCNC[C@@H](C)OC 2230a_100020591295_100015370543 [0,2,0,0,0,0|2,0,0]=4 3406 B11R0.40 CC/C=C\CCNC[C@@H](F)CO 34a_100015665980_100015370543 [0,2,0,0,0,0|0,0,2]=4 3407 B11R0.40 CC/C=C\CCNC[C@H](O)CO 2230a_100020644852_100015370543 [0,2,0,0,0,0|0,0,2]=4 3408 B11R0.40 CC/C=C\CCOCC(=O)CC 34a_100000725409_100015370543 [0,2,0,0,0,0|1,0,0]=3 3409 B11R0.40 CC/C=C\CCOCC(=O)CC 7a_100016288707_100000747405 [0,2,0,0,0,0|1,0,0]=3 3410 B11R0.40 CC/C=C\CCOCC(=O)NC 34a_100000750040_100015370543 [0,2,0,0,0,0|1,0,0]=3 3411 B11R0.40 CC/C=C\CCOCC(=O)NC 34a_100016288707_100000183359 [0,2,0,0,0,0|1,0,0]=3 3412 B11R0.40 CC/C=C\CCOCC(=O)NC 7a_100016288707_100000183359 [0,2,0,0,0,0|1,0,0]=3 3413 B11R0.40 CC/C=C\CCOCC(=O)OC 34a_100016288707_100000747449 [0,2,0,0,0,0|1,0,0]=3 3414 B11R0.40 CC/C=C\CCOCC(=O)OC 7a_100016288707_100000747449 [0,2,0,0,0,0|1,0,0]=3 3415 B11R0.40 CC/C=C\CCOCC(C)CC 34a_100016288707_100000748023 [0,2,0,0,0,0|1,0,1]=4 3416 B11R0.40 CC/C=C\CCOCC(C)CC 7a_100016288707_100000748023 [0,2,0,0,0,0|1,0,1]=4 3417 B11R0.40 CC/C=C\CCOCC(C)CN 34a_100000744482_100015370543 [0,2,0,0,0,0|1,0,1]=4 3418 B11R0.40 CC/C=C\CCOCC(C)OC 34a_100000690652_100015370543 [0,2,0,0,0,0|2,0,0]=4 3419 B11R0.40 CC/C=C\CCOCC(Cl)CCl 34a_100000033668_100015370543 [0,2,0,0,0,0|1,0,1]=4 3420 B11R0.40 CC/C=C\CCOCC(O)CC 34a_100016288707_100011218378 [0,2,0,0,0,0|1,0,1]=4 3421 B11R0.40 CC/C=C\CCOCC(O)CC 7a_100016288707_100011218378 [0,2,0,0,0,0|1,0,1]=4 3422 B11R0.40 CC/C=C\CCOCC(O)CO 34a_100016288707_100011219619 [0,2,0,0,0,0|0,0,2]=4 3423 B11R0.40 CC/C=C\CCOCC(O)CO 7a_100016288707_100011219619 [0,2,0,0,0,0|0,0,2]=4 3424 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 34a_100016288707_100009816398 [0,2,0,0,0,0|1,0,1]=4 3425 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 7a_100009816381_100015370543 [0,2,0,0,0,0|1,0,1]=4 3426 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 7a_100016288707_100009816398 [0,2,0,0,0,0|1,0,1]=4 3427 B11R0.40 CC/C=C\CCOC[C@@H](C)CO 34a_100016288707_100000059175 [0,2,0,0,0,0|0,0,2]=4 3428 B11R0.40 CC/C=C\CCOC[C@@H](C)CO 7a_100016288707_100000059175 [0,2,0,0,0,0|0,0,2]=4 3429 B11R0.40 CC/C=C\CCOC[C@@H](O)CF 34a_100016288707_100015614560 [0,2,0,0,0,0|1,0,1]=4 3430 B11R0.40 CC/C=C\CCOC[C@@H](O)CF 7a_100016288707_100015614560 [0,2,0,0,0,0|1,0,1]=4 3431 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 34a_100016288707_100009815848 [0,2,0,0,0,0|0,0,2]=4 3432 B11R0.40 CC/C=C\CCOC[C@@H](O)CO 7a_100016288707_100009815848 [0,2,0,0,0,0|0,0,2]=4 3433 B11R0.40 CC/C=C\CCOC[C@H](F)CN 34a_100015665980_100015370543 [0,2,0,0,0,0|1,0,1]=4 3434 B11R0.40 CC/C=C\CCSCC(=O)CC 62a_100000747405_100015370543 [0,2,0,0,0,0|1,0,0]=3 3435 B11R0.40 CC/C=C\CCSCC(=O)CC 62a_100015370543_100000747405 [0,2,0,0,0,0|1,0,0]=3 3436 B11R0.40 CC/C=C\CCSCC(=O)NC 62a_100000183359_100015370543 [0,2,0,0,0,0|1,0,0]=3 3437 B11R0.40 CC/C=C\CCSCC(=O)NC 62a_100015370543_100000183359 [0,2,0,0,0,0|1,0,0]=3 3438 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100000747449_100015370543 [0,2,0,0,0,0|1,0,0]=3 3439 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100015370543_100000747449 [0,2,0,0,0,0|1,0,0]=3 3440 B11R0.40 CC/C=C\CCSCC(C)CC 62a_100000748023_100015370543 [0,2,0,0,0,0|1,0,1]=4 3441 B11R0.40 CC/C=C\CCSCC(C)CC 62a_100015370543_100000748023 [0,2,0,0,0,0|1,0,1]=4 3442 B11R0.40 CC/C=C\CCSCC(O)CC 62a_100011218378_100015370543 [0,2,0,0,0,0|1,0,1]=4 3443 B11R0.40 CC/C=C\CCSCC(O)CC 62a_100015370543_100011218378 [0,2,0,0,0,0|1,0,1]=4 3444 B11R0.40 CC/C=C\CCSCC(O)CO 62a_100011219619_100015370543 [0,2,0,0,0,0|0,0,2]=4 3445 B11R0.40 CC/C=C\CCSCC(O)CO 62a_100015370543_100011219619 [0,2,0,0,0,0|0,0,2]=4 3446 B11R0.40 CC/C=C\CCSC[C@@H](C)CC 62a_100009816398_100015370543 [0,2,0,0,0,0|1,0,1]=4 3447 B11R0.40 CC/C=C\CCSC[C@@H](C)CC 62a_100015370543_100009816398 [0,2,0,0,0,0|1,0,1]=4 3448 B11R0.40 CC/C=C\CCSC[C@@H](C)CO 62a_100000059175_100015370543 [0,2,0,0,0,0|0,0,2]=4 3449 B11R0.40 CC/C=C\CCSC[C@@H](C)CO 62a_100015370543_100000059175 [0,2,0,0,0,0|0,0,2]=4 3450 B11R0.40 CC/C=C\CCSC[C@@H](O)CF 62a_100015370543_100015614560 [0,2,0,0,0,0|1,0,1]=4 3451 B11R0.40 CC/C=C\CCSC[C@@H](O)CF 62a_100015614560_100015370543 [0,2,0,0,0,0|1,0,1]=4 3452 B11R0.40 CC/C=C\CCSC[C@@H](O)CO 62a_100009815848_100015370543 [0,2,0,0,0,0|0,0,2]=4 3453 B11R0.40 CC/C=C\CCSC[C@@H](O)CO 62a_100015370543_100009815848 [0,2,0,0,0,0|0,0,2]=4 3454 B11R0.40 CC/C=C\CNCCC(=O)NC 2230a_100000738227_100103147603 [0,2,0,0,0,0|1,0,0]=3 3455 B11R0.40 CC/C=C\CNCCC(=O)NC 34a_100000738227_100103147603 [0,2,0,0,0,0|1,0,0]=3 3456 B11R0.40 CC/C=C\CNCCC(C)CC 2230a_100020591266_100103147603 [0,2,0,0,0,0|1,0,1]=4 3457 B11R0.40 CC/C=C\CNCCC(C)CO 2230a_106354213184_100103147603 [0,2,0,0,0,0|0,0,2]=4 3458 B11R0.40 CC/C=C\CNCCC(C)CO 34a_106354213184_100103147603 [0,2,0,0,0,0|0,0,2]=4 3459 B11R0.40 CC/C=C\COCCC(=NO)N 34a_100000749954_100103147603 [0,2,0,0,0,0|1,0,1]=4 3460 B11R0.40 CC/C=C\COCCC(=O)NC 34a_100000754576_100103147603 [0,2,0,0,0,0|1,0,0]=3 3461 B11R0.40 CC/C=C\COCCC(=O)NC 34a_100016268518_100012179268 [0,2,0,0,0,0|1,0,0]=3 3462 B11R0.40 CC/C=C\COCCC(=O)OC 34a_100016268518_100000742370 [0,2,0,0,0,0|1,0,0]=3 3463 B11R0.40 CC/C=C\COCCC(C)CC 7a_100011215188_100103147603 [0,2,0,0,0,0|1,0,1]=4 3464 B11R0.40 CC/C=C\COCCC(C)OC 7a_100000764861_100103147603 [0,2,0,0,0,0|2,0,0]=4 3465 B11R0.40 CC/C=C\CSCCC(=O)NC 62a_100000737683_100103147603 [0,2,0,0,0,0|1,0,0]=3 3466 B11R0.40 CC/C=C\CSCCC(=O)NC 62a_100103147603_100000737683 [0,2,0,0,0,0|1,0,0]=3 3467 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100000204255_100103147603 [0,2,0,0,0,0|1,0,0]=3 3468 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100103147603_100000204255 [0,2,0,0,0,0|1,0,0]=3 3469 B11R0.40 CC/C=C\CSCOC(=O)OC 62a_100103147603_100000139417 [0,2,0,0,0,0|2,0,0]=4 3470 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000139335_100000747405 [0,2,0,0,0,0|0,0,1]=3 3471 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000747405_100000139335 [0,2,0,0,0,0|0,0,1]=3 3472 B11R0.40 CCC(C)CCNCCCC=O 2230a_100020591266_200011292268 [0,2,0,0,0,0|0,0,2]=4 3473 B11R0.40 CCC(C)CCOCCCC=O 7a_100011215188_200011292268 [0,2,0,0,0,0|0,0,2]=4 3474 B11R0.40 CCC(C)CNCCCCC=O 2230a_100020588543_100000139335 [0,2,0,0,0,0|0,0,2]=4 3475 B11R0.40 CCC(C)CSCCCCC=O 62a_100000139335_100000748023 [0,2,0,0,0,0|0,0,2]=4 3476 B11R0.40 CCC(C)CSCCCCC=O 62a_100000748023_100000139335 [0,2,0,0,0,0|0,0,2]=4 3477 B11R0.40 CCC(C)NCCCCCC=O 2230a_100000209981_100000139337 [0,2,0,0,0,0|0,0,2]=4 3478 B11R0.40 CCC(C)OCCCCCC=O 7a_100000210228_100000139337 [0,2,0,0,0,0|0,0,2]=4 3479 B11R0.40 CCC(C)SCCCCCC=O 62a_100000139337_100000758301 [0,2,0,0,0,0|0,0,2]=4 3480 B11R0.40 CCC(C)SCCCCCC=O 62a_100000758301_100000139337 [0,2,0,0,0,0|0,0,2]=4 3481 B11R0.40 CCC(O)CNCCCCC=O 2230a_100011218483_100000139335 [0,2,0,0,0,0|0,0,2]=4 3482 B11R0.40 CCC(O)CSCCCCC=O 62a_100000139335_100011218378 [0,2,0,0,0,0|0,0,2]=4 3483 B11R0.40 CCC(O)CSCCCCC=O 62a_100011218378_100000139335 [0,2,0,0,0,0|0,0,2]=4 3484 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [0,2,0,0,0,0|1,0,1]=4 3485 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,2,0,0,0,0|0,0,2]=4 3486 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,2,0,0,0,0|0,0,2]=4 3487 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [0,2,0,0,0,0|0,0,2]=4 3488 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,2,0,0,0,0|0,0,2]=4 3489 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,2,0,0,0,0|0,0,2]=4 3490 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,2,0,0,0,0|0,0,2]=4 3491 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,2,0,0,0,0|0,0,2]=4 3492 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,2,0,0,0,0|0,0,2]=4 3493 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [0,2,0,0,0,0|1,0,1]=4 3494 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [0,2,0,0,0,0|1,0,1]=4 3495 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [0,2,0,0,0,0|1,0,1]=4 3496 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [0,2,0,0,0,0|1,0,1]=4 3497 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [0,2,0,0,0,0|1,0,1]=4 3498 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [0,2,0,0,0,0|1,0,1]=4 3499 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [0,2,0,0,0,0|1,0,1]=4 3500 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [0,2,0,0,0,0|1,0,1]=4 3501 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [0,2,0,0,0,0|1,0,1]=4 3502 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [0,2,0,0,0,0|1,0,1]=4 3503 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [0,2,0,0,0,0|1,0,1]=4 3504 B11R0.40 CC[C@H](C)COCCCCC=O 7a_100009816381_100000139335 [0,2,0,0,0,0|0,0,2]=4 3505 B11R0.40 CC[C@H](C)CSCCCCC=O 62a_100000139335_100009816398 [0,2,0,0,0,0|0,0,2]=4 3506 B11R0.40 CC[C@H](C)CSCCCCC=O 62a_100009816398_100000139335 [0,2,0,0,0,0|0,0,2]=4 3507 B11R0.40 CNC(=O)CCNCCCC=O 2230a_100000738227_200011292268 [0,2,0,0,0,0|1,0,1]=4 3508 B11R0.40 CNC(=O)CCSCCCC=O 62a_100000737683_200011292268 [0,2,0,0,0,0|1,0,1]=4 3509 B11R0.40 CNC(=O)CCSCCCC=O 62a_200011292268_100000737683 [0,2,0,0,0,0|1,0,1]=4 3510 B11R0.40 CNC(=O)CNCCCCC=O 2230a_100000693194_100000139335 [0,2,0,0,0,0|1,0,1]=4 3511 B11R0.40 CNC(=O)CSCCCCC=O 62a_100000139335_100000183359 [0,2,0,0,0,0|1,0,1]=4 3512 B11R0.40 CNC(=O)CSCCCCC=O 62a_100000183359_100000139335 [0,2,0,0,0,0|1,0,1]=4 3513 B11R0.40 COC(=O)CCCCOCC=O 34a_100000059025_200009817547 [0,2,0,0,0,0|1,0,1]=4 3514 B11R0.40 COC(=O)CCCCOCC=O 7a_100000059025_200015260668 [0,2,0,0,0,0|1,0,1]=4 3515 B11R0.40 COC(=O)CCCCSCC=O 62a_100000204269_200015260668 [0,2,0,0,0,0|1,0,1]=4 3516 B11R0.40 COC(=O)CCCCSCC=O 62a_200015260668_100000204269 [0,2,0,0,0,0|1,0,1]=4 3517 B11R0.40 COC(=O)CCSCCCC=O 62a_100000204255_200011292268 [0,2,0,0,0,0|1,0,1]=4 3518 B11R0.40 COC(=O)CCSCCCC=O 62a_200011292268_100000204255 [0,2,0,0,0,0|1,0,1]=4 3519 B11R0.40 COC(=O)CSCCCCC=O 62a_100000139335_100000747449 [0,2,0,0,0,0|1,0,1]=4 3520 B11R0.40 COC(=O)CSCCCCC=O 62a_100000747449_100000139335 [0,2,0,0,0,0|1,0,1]=4 3521 B11R0.40 COC(=O)OCSCCCC=O 62a_200011292268_100000139417 [0,2,0,0,0,0|2,0,0]=4 3522 B11R0.40 COC(C)SCCCCCC=O 62a_100000139337_100009879195 [0,2,0,0,0,0|1,0,1]=4 3523 B11R0.40 COC(C)SCCCCCC=O 62a_100009879195_100000139337 [0,2,0,0,0,0|1,0,1]=4 3524 B11R0.40 CO[C@H](C)CNCCCCC=O 2230a_100020591295_100000139335 [0,2,0,0,0,0|1,0,1]=4 3525 B11R0.40 C[C@@H](CO)CSCCCCC=O 62a_100000059175_100000139335 [0,2,0,0,0,0|1,0,1]=4 3526 B11R0.40 C[C@@H](CO)CSCCCCC=O 62a_100000139335_100000059175 [0,2,0,0,0,0|1,0,1]=4 3527 B11R0.40 C[C@H](CO)NCCCCCC=O 2230a_100000737577_100000139337 [0,2,0,0,0,0|1,0,1]=4 3528 B11R0.40 C[C@H](CO)SCCCCCC=O 62a_100000139337_100016084084 [0,2,0,0,0,0|1,0,1]=4 3529 B11R0.40 C[C@H](CO)SCCCCCC=O 62a_100016084084_100000139337 [0,2,0,0,0,0|1,0,1]=4 3530 B11R0.40 O=CCCCCNC[C@H](O)CO 2230a_100020644852_100000139335 [0,2,0,0,0,0|1,0,1]=4 3531 B11R0.40 O=CCCCCSCC(O)CO 62a_100000139335_100011219619 [0,2,0,0,0,0|1,0,1]=4 3532 B11R0.40 O=CCCCCSCC(O)CO 62a_100011219619_100000139335 [0,2,0,0,0,0|1,0,1]=4 3533 B11R0.40 O=CCCCCSC[C@@H](O)CF 62a_100000139335_100015614560 [0,2,0,0,0,0|1,0,1]=4 3534 B11R0.40 O=CCCCCSC[C@@H](O)CF 62a_100015614560_100000139335 [0,2,0,0,0,0|1,0,1]=4 3535 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100000139335_100009815848 [0,2,0,0,0,0|1,0,1]=4 3536 B11R0.40 O=CCCCCSC[C@@H](O)CO 62a_100009815848_100000139335 [0,2,0,0,0,0|1,0,1]=4 3537 B11R0.42 C=CCCCCCC(=O)C(C)C 1458a_100000210198_100000700193 [0,2,0,0,0,0|1,0,1]=4 3538 B11R0.42 C=CCCCCCC(=O)C(C)C 1458a_100011934241_100000210206 [0,2,0,0,0,0|1,0,1]=4 3539 B11R0.42 C=CCCCCCC(=O)C(C)F 1458a_100000062450_100000700193 [0,2,0,0,0,0|1,0,1]=4 3540 B11R0.42 C=CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000700193 [0,2,0,0,0,0|1,0,1]=4 3541 B11R0.42 C=CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000700193 [0,2,0,0,0,0|1,0,1]=4 3542 B11R0.42 C=CCCCCNC(=O)C(C)C 11a_100000703577_100000210198 [0,2,0,0,0,0|2,0,0]=4 3543 B11R0.42 C=CCCCCNC(=O)C(C)C 1626a_100000703577_100000210198 [0,2,0,0,0,0|2,0,0]=4 3544 B11R0.42 C=CCCCCNC(=O)C(C)C 240690a_100000703577_100000210198 [0,2,0,0,0,0|2,0,0]=4 3545 B11R0.42 C=CCCCCNC(=O)C(C)C 527a_100000703577_100000210198 [0,2,0,0,0,0|2,0,0]=4 3546 B11R0.42 C=CCCCCNC(=O)C(C)F 11a_100000703577_100000062450 [0,2,0,0,0,0|2,0,0]=4 3547 B11R0.42 C=CCCCCNC(=O)C(C)F 1626a_100000703577_100000062450 [0,2,0,0,0,0|2,0,0]=4 3548 B11R0.42 C=CCCCCNC(=O)C(C)F 240690a_100000703577_100000062450 [0,2,0,0,0,0|2,0,0]=4 3549 B11R0.42 C=CCCCCNC(=O)C(C)F 527a_100000703577_100000062450 [0,2,0,0,0,0|2,0,0]=4 3550 B11R0.42 C=CCCCCNC(=O)[C@@H](C)O 240690a_100000703577_100000717761 [0,2,0,0,0,0|2,0,0]=4 3551 B11R0.42 C=CCCCCNC(=O)[C@H](C)O 1626a_100000703577_217856618621 [0,2,0,0,0,0|2,0,0]=4 3552 B11R0.42 C=CCCCCNC(=O)[C@H](C)O 240690a_100000703577_217856618621 [0,2,0,0,0,0|2,0,0]=4 3553 B11R0.42 CC(C)C(=O)CSCCCC=O 62a_100000753385_200011292268 [0,2,0,0,0,0|1,0,1]=4 3554 B11R0.42 CC(C)C(=O)CSCCCC=O 62a_200011292268_100000753385 [0,2,0,0,0,0|1,0,1]=4 3555 B11R0.42 CC(C)C(=O)NCCNCC=O 2230a_100000752568_200015260668 [0,2,0,0,0,0|2,0,0]=4 3556 B11R0.42 CC(C)C(=O)NCCNCC=O 34a_100000752568_200009817547 [0,2,0,0,0,0|2,0,0]=4 3557 B11R0.42 CC(C)C(C)NCCCCC=O 2230a_100000211541_100000139335 [0,2,0,0,0,0|1,0,1]=4 3558 B11R0.42 CC(C)C(C)OCCCCC=O 7a_100000748068_100000139335 [0,2,0,0,0,0|1,0,1]=4 3559 B11R0.42 CC(C)N(C)CCCCCC=O 269982a_200000211004_100000139337 [0,2,0,0,0,0|1,0,1]=4 3560 B11R0.42 CC/C=C\CCN[C@@H](C)C(=O)O 269956a_100000743915_100015370543 [0,2,0,0,0,0|1,0,0]=3 3561 B11R0.42 CC/C=C\CCN[C@H](C)C(=O)N 2230a_100000119354_100015370543 [0,2,0,0,0,0|1,0,0]=3 3562 B11R0.42 CC/C=C\CCN[C@H](C)C(=O)N 34a_100000119354_100015370543 [0,2,0,0,0,0|1,0,0]=3 3563 B11R0.42 CC/C=C\CCOC(C)C(=O)C 34a_100000212229_100015370543 [0,2,0,0,0,0|1,0,0]=3 3564 B11R0.42 CC/C=C\CCOC(C)C(=O)C 7a_100016288707_100000179758 [0,2,0,0,0,0|1,0,0]=3 3565 B11R0.42 CC/C=C\CCOC(C)C(=O)N 34a_100016288707_100000702099 [0,2,0,0,0,0|1,0,0]=3 3566 B11R0.42 CC/C=C\CCOC(C)C(=O)N 7a_100016288707_100000702099 [0,2,0,0,0,0|1,0,0]=3 3567 B11R0.42 CC/C=C\CCOC(F)C(=O)N 34a_100016288707_100009813875 [0,2,0,0,0,0|1,0,0]=3 3568 B11R0.42 CC/C=C\CCOC(F)C(=O)N 7a_100016288707_100009813875 [0,2,0,0,0,0|1,0,0]=3 3569 B11R0.42 CC/C=C\CCOC(F)C(=O)[O-] 34a_100016288707_100020610796 [0,2,0,0,0,0|1,0,0]=3 3570 B11R0.42 CC/C=C\CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100015370543 [0,2,0,0,0,0|1,0,0]=3 3571 B11R0.42 CC/C=C\CCO[C@H](C)C(=O)N 34a_100000731257_100015370543 [0,2,0,0,0,0|1,0,0]=3 3572 B11R0.42 CC/C=C\CCO[C@H](C)C(=O)N 7a_100000731257_100015370543 [0,2,0,0,0,0|1,0,0]=3 3573 B11R0.42 CC/C=C\CCSC(C)C(=O)C 62a_100009814033_100015370543 [0,2,0,0,0,0|1,0,0]=3 3574 B11R0.42 CC/C=C\CCSC(C)C(=O)C 62a_100015370543_100009814033 [0,2,0,0,0,0|1,0,0]=3 3575 B11R0.42 CC/C=C\CCSC(C)C(=O)N 62a_100000702099_100015370543 [0,2,0,0,0,0|1,0,0]=3 3576 B11R0.42 CC/C=C\CCSC(C)C(=O)N 62a_100015370543_100000702099 [0,2,0,0,0,0|1,0,0]=3 3577 B11R0.42 CC/C=C\CCSC(F)C(=O)N 62a_100009813875_100015370543 [0,2,0,0,0,0|1,0,0]=3 3578 B11R0.42 CC/C=C\CCSC(F)C(=O)N 62a_100015370543_100009813875 [0,2,0,0,0,0|1,0,0]=3 3579 B11R0.42 CC/C=C\CCSC(F)C(=O)[O-] 62a_100015370543_100020610796 [0,2,0,0,0,0|1,0,0]=3 3580 B11R0.42 CC/C=C\CCSC(F)C(=O)[O-] 62a_100020610796_100015370543 [0,2,0,0,0,0|1,0,0]=3 3581 B11R0.42 CC/C=C\CNCC(C)C(=O)O 269956a_100000749485_100103147603 [0,2,0,0,0,0|1,0,0]=3 3582 B11R0.42 CC/C=C\CNCC(F)C(=O)O 269956a_100000084737_100103147603 [0,2,0,0,0,0|1,0,0]=3 3583 B11R0.42 CC/C=C\COCC(=O)C(=O)C 34a_100016268518_100011261029 [0,2,0,0,0,0|1,0,1]=4 3584 B11R0.42 CC/C=C\COCC(C)C(=O)C 34a_100000032740_100103147603 [0,2,0,0,0,0|1,0,0]=3 3585 B11R0.42 CC/C=C\COCC(C)C(=O)C 7a_100000032740_100103147603 [0,2,0,0,0,0|1,0,0]=3 3586 B11R0.42 CC/C=C\COCC(C)[N+](=O)[O-] 34a_100000039676_100103147603 [0,2,0,0,0,0|2,0,0]=4 3587 B11R0.42 CC/C=C\COCC(C)[N+](=O)[O-] 7a_100000039676_100103147603 [0,2,0,0,0,0|2,0,0]=4 3588 B11R0.42 CC/C=C\COC[C@H](N)C(=O)N 34a_100000729942_100103147603 [0,2,0,0,0,0|1,0,0]=3 3589 B11R0.42 CC/C=C\CSCC(=O)C(=O)C 62a_100011261029_100103147603 [0,2,0,0,0,0|1,0,1]=4 3590 B11R0.42 CC/C=C\CSCC(=O)C(=O)C 62a_100103147603_100011261029 [0,2,0,0,0,0|1,0,1]=4 3591 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,2,0,0,0,0|0,0,2]=4 3592 B11R0.46 C=C(C)CCC(=O)C/C=C/CC 1458a_100016274230_100000730704 [0,2,0,0,0,0|1,0,1]=4 3593 B11R0.46 C=C(C)CCC(=O)C/C=C\CC 1458a_200000688413_100103147603 [0,2,0,0,0,0|1,0,1]=4 3594 B11R0.46 C=CCCCC(=O)C=CC(C)C 1458a_100016268746_100000757094 [0,2,0,0,0,0|1,0,1]=4 3595 B11R0.46 CC/C=C/CC(=O)NCC(=O)N 11a_100000711301_100016274230 [0,2,0,0,0,0|1,0,1]=4 3596 B11R0.46 CC/C=C/CC(=O)NCC(=O)N 240690a_100000711301_100016274230 [0,2,0,0,0,0|1,0,1]=4 3597 B11R0.46 CC/C=C/CC(=O)NCC(=O)N 527a_100000711301_100016274230 [0,2,0,0,0,0|1,0,1]=4 3598 B11R0.46 CC/C=C\CC(=O)CCC(=O)N 1458a_100011215257_100103147603 [0,2,0,0,0,0|0,0,1]=3 3599 B11R0.46 CC/C=C\CC(=O)CC[N+](=O)[O-] 1458a_200000064761_100103147603 [0,2,0,0,0,0|1,0,1]=4 3600 B11R0.46 CC/C=C\CC(=O)CNC(=O)C 1458a_100000194580_100103147603 [0,2,0,0,0,0|1,0,1]=4 3601 B11R0.46 CC/C=C\CC(=O)CNC(=O)N 1458a_100000184981_100103147603 [0,2,0,0,0,0|1,0,1]=4 3602 B11R0.46 CC/C=C\CC(=O)COC(=O)C 1458a_100000183556_100103147603 [0,2,0,0,0,0|1,0,1]=4 3603 B11R0.46 CC/C=C\CC(=O)CSC(=O)C 1458a_100000049016_100103147603 [0,2,0,0,0,0|1,0,1]=4 3604 B11R0.46 CC/C=C\CN(C)CCC(=O)N 2230a_100000730477_100103147603 [0,2,0,0,0,0|1,0,0]=3 3605 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [0,2,0,0,0,0|0,0,2]=4 3606 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [0,2,0,0,0,0|0,0,2]=4 3607 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [0,2,0,0,0,0|0,0,1]=3 3608 B11R0.111 CCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210202 [0,2,0,0,0,0|1,0,1]=4 3609 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [0,2,0,0,0,0|1,0,1]=4 3610 B11R0.111 CCC(=O)CCCCSC(=O)C 1458a_100000210414_200010402107 [0,2,0,0,0,0|1,0,1]=4 3611 B11R0.111 CCC(=O)COCCCC(=O)C 34a_100000725409_100000685027 [0,2,0,0,0,0|1,0,1]=4 3612 B11R0.111 CCC(=O)COCCCC(=O)C 7a_100000759063_100000747405 [0,2,0,0,0,0|1,0,1]=4 3613 B11R0.111 CCC(=O)COCCCC(=O)N 34a_100000725409_100102525003 [0,2,0,0,0,0|1,0,1]=4 3614 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100000747405_100011215641 [0,2,0,0,0,0|1,0,1]=4 3615 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100011215641_100000747405 [0,2,0,0,0,0|1,0,1]=4 3616 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100000747405_100102525003 [0,2,0,0,0,0|1,0,1]=4 3617 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100102525003_100000747405 [0,2,0,0,0,0|1,0,1]=4 3618 B11R0.111 CCC(=O)NCCCCC(=O)N 11a_100000696515_100000210414 [0,2,0,0,0,0|1,0,0]=3 3619 B11R0.111 CCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210414 [0,2,0,0,0,0|1,0,0]=3 3620 B11R0.111 CCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210414 [0,2,0,0,0,0|1,0,0]=3 3621 B11R0.111 CCC(=O)NCCCCC(=O)N 527a_100000696515_100000210414 [0,2,0,0,0,0|1,0,0]=3 3622 B11R0.111 CCC(=O)NCCCNC(=O)C 11a_100000736810_100000210414 [0,2,0,0,0,0|2,0,0]=4 3623 B11R0.111 CCC(=O)NCCCNC(=O)C 240690a_100000736810_100000210414 [0,2,0,0,0,0|2,0,0]=4 3624 B11R0.111 CCC(=O)NCCCNC(=O)C 527a_100000736810_100000210414 [0,2,0,0,0,0|2,0,0]=4 3625 B11R0.111 CCC(=O)NCCNCC(=O)N 34a_100132302217_100000187820 [0,2,0,0,0,0|2,0,0]=4 3626 B11R0.111 CCC(=O)NCCNCC(=O)[O-] 34a_100132302217_100020667443 [0,2,0,0,0,0|2,0,0]=4 3627 B11R0.111 CCC(=O)NCCOCC(=O)N 34a_200000158885_100000187820 [0,2,0,0,0,0|2,0,0]=4 3628 B11R0.111 CCC(=O)NCCOCC(=O)N 7a_200000158885_100000187820 [0,2,0,0,0,0|2,0,0]=4 3629 B11R0.111 CCC(=O)NCCOCC(=O)[O-] 34a_200000158885_100020667443 [0,2,0,0,0,0|2,0,0]=4 3630 B11R0.111 CCC(=O)OCCOCC(=O)N 7a_200000031056_100000187820 [0,2,0,0,0,0|2,0,0]=4 3631 B11R0.111 CCC(C)NCCCCC(=O)N 34a_100000696515_100011215416 [0,2,0,0,0,0|1,0,1]=4 3632 B11R0.111 CCC(C)OCCCCC(=O)C 7a_100000210228_100000735457 [0,2,0,0,0,0|1,0,1]=4 3633 B11R0.111 CCC(C)OCCCCC(=O)N 34a_100012022536_100011215416 [0,2,0,0,0,0|1,0,1]=4 3634 B11R0.111 CCC(C)OCCCCC(=O)N 7a_100012022536_100000758301 [0,2,0,0,0,0|1,0,1]=4 3635 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000735457_100000758301 [0,2,0,0,0,0|1,0,1]=4 3636 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000758301_100000735457 [0,2,0,0,0,0|1,0,1]=4 3637 B11R0.111 CCN(C)CCCCCC(=O)N 2230a_100000225621_100009817443 [0,2,0,0,0,0|1,0,1]=4 3638 B11R0.111 CCN(C)CCCCCC(=O)N 269982a_100000225621_100009817443 [0,2,0,0,0,0|1,0,1]=4 3639 B11R0.111 CNC(=O)NCCCCC(=O)N 273464a_100000696515_100102657272 [0,2,0,0,0,0|2,0,0]=4 3640 B11R0.111 CNC(=O)NCCCCC(=O)N 273464a_100102657272_100000696515 [0,2,0,0,0,0|2,0,0]=4 3641 B11R0.111 CNC(=O)NCCCCC(=O)N 512a_100000696515_100102657272 [0,2,0,0,0,0|2,0,0]=4 3642 B11R0.111 CNC(=O)NCCCCC(=O)N 512a_106832991638_100000696515 [0,2,0,0,0,0|2,0,0]=4 3643 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [0,2,0,0,0,0|1,0,1]=4 3644 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [0,2,0,0,0,0|1,0,1]=4 3645 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [0,2,0,0,0,0|1,0,1]=4 3646 B11R0.111 NC(=O)CCCCCC(=O)CO 1458a_100000210174_100009817443 [0,2,0,0,0,0|1,0,1]=4 3647 B11R0.111 NC(=O)CCCCNC(=O)CO 240690a_100000696515_100000210174 [0,2,0,0,0,0|2,0,0]=4 3648 B11R0.111 NC(=O)CCCCNC(=O)CO 527a_100000696515_100000210174 [0,2,0,0,0,0|2,0,0]=4 3649 B11R0.147 C=CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000754431 [0,2,0,0,0,0|1,0,1]=4 3650 B11R0.147 CCC=CC(=O)CCCC(=O)C 1458a_100000212282_100011215641 [0,2,0,0,0,0|0,0,1]=3 3651 B11R0.147 CCC=CC(=O)CCCC(=O)N 1458a_100000212282_100102525003 [0,2,0,0,0,0|0,0,1]=3 3652 B11R0.147 CCC=CC(=O)CCNC(=O)C 1458a_100000212282_100000189650 [0,2,0,0,0,0|1,0,1]=4 3653 B11R0.147 CCC=CC(=O)CCNC(=O)N 1458a_100000212282_200000034859 [0,2,0,0,0,0|1,0,1]=4 3654 B11R0.147 CCC=CC(=O)CCOC(=O)C 1458a_100000212282_100009814007 [0,2,0,0,0,0|1,0,1]=4 3655 B11R0.147 CCC=CC(=O)CCOC(=O)N 1458a_100000212282_200011214921 [0,2,0,0,0,0|1,0,1]=4 3656 B11R0.147 CCC=CC(=O)NCCC(=O)N 11a_100000740010_100000212282 [0,2,0,0,0,0|1,0,1]=4 3657 B11R0.147 CCC=CC(=O)NCCC(=O)N 240690a_100000740010_100000212282 [0,2,0,0,0,0|1,0,1]=4 3658 B11R0.147 CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210303 [0,2,0,0,0,0|1,0,1]=4 3659 B11R0.147 COC=CC(=O)CCCC(=O)C 1458a_100016268678_100011215641 [0,2,0,0,0,0|1,0,1]=4 3660 B11R0.147 COC=CC(=O)CCCC(=O)N 1458a_100016268678_100102525003 [0,2,0,0,0,0|1,0,1]=4 3661 B11R0.148 C/C=C/C=C/COCCC(=O)N 34a_100016283227_100000731001 [0,2,0,0,0,0|0,0,2]=4 3662 B11R0.148 C/C=C/CCOCCCC(=O)C 34a_100016278192_100000685027 [0,2,0,0,0,0|0,0,2]=4 3663 B11R0.148 C/C=C/CCOCCCC(=O)N 34a_100016278192_100102525003 [0,2,0,0,0,0|0,0,2]=4 3664 B11R0.148 C/C=C/CNCCCCC(=O)N 34a_100000696515_100102629194 [0,2,0,0,0,0|0,0,2]=4 3665 B11R0.148 C/C=C/COCCCCC(=O)C 34a_100016270725_100009817362 [0,2,0,0,0,0|0,0,2]=4 3666 B11R0.148 C/C=C/COCCCCC(=O)N 34a_100012022536_100102629194 [0,2,0,0,0,0|0,0,2]=4 3667 B11R0.148 C/C=C/COCCCCC(=O)N 7a_100012022536_100102629194 [0,2,0,0,0,0|0,0,2]=4 3668 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100000735457_100102629194 [0,2,0,0,0,0|0,0,2]=4 3669 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100102629194_100000735457 [0,2,0,0,0,0|0,0,2]=4 3670 B11R0.148 C=C(Br)CCOCC/C=C\CC 34a_100009813270_100015370543 [0,2,0,0,0,0|1,0,0]=3 3671 B11R0.148 C=C(C)CCOC/C=C/CCC 34a_100016278788_100000730704 [0,2,0,0,0,0|2,0,0]=4 3672 B11R0.148 C=C(C)CCOC/C=C/CCC 7a_100016278788_100000730704 [0,2,0,0,0,0|2,0,0]=4 3673 B11R0.148 C=C(C)CCOCC/C=C\CC 34a_100000764851_100015370543 [0,2,0,0,0,0|1,0,0]=3 3674 B11R0.148 C=C(C)CCOCC/C=C\CC 34a_100016288707_100000730704 [0,2,0,0,0,0|1,0,0]=3 3675 B11R0.148 C=C(C)CCOCC/C=C\CC 7a_100016288707_100000730704 [0,2,0,0,0,0|1,0,0]=3 3676 B11R0.148 C=C(C)CCSCC/C=C\CC 62a_100000730704_100015370543 [0,2,0,0,0,0|1,0,0]=3 3677 B11R0.148 C=C(C)CCSCC/C=C\CC 62a_100015370543_100000730704 [0,2,0,0,0,0|1,0,0]=3 3678 B11R0.148 C=C(C)CCSCCCCC=O 62a_100000139335_100000730704 [0,2,0,0,0,0|1,0,1]=4 3679 B11R0.148 C=C(C)CCSCCCCC=O 62a_100000730704_100000139335 [0,2,0,0,0,0|1,0,1]=4 3680 B11R0.148 C=C(C)COCCC/C=C/CC 34a_100016287902_100000748629 [0,2,0,0,0,0|1,0,0]=3 3681 B11R0.148 C=C(C)COCCC/C=C/CC 7a_100016287902_100000748629 [0,2,0,0,0,0|1,0,0]=3 3682 B11R0.148 C=C(C)CSCCCCCC=O 62a_100000139337_100000211660 [0,2,0,0,0,0|1,0,1]=4 3683 B11R0.148 C=C(C)CSCCCCCC=O 62a_100000748629_100000139337 [0,2,0,0,0,0|1,0,1]=4 3684 B11R0.148 C=C(F)COCCC/C=C/CC 34a_100016287902_100009893438 [0,2,0,0,0,0|1,0,0]=3 3685 B11R0.148 C=C(F)COCCC/C=C/CC 7a_100016287902_100000042424 [0,2,0,0,0,0|1,0,0]=3 3686 B11R0.148 CC(=CCCSCCCC=O)C 62a_100011217483_200011292268 [0,2,0,0,0,0|0,0,2]=4 3687 B11R0.148 CC(=CCCSCCCC=O)C 62a_200011292268_100011217483 [0,2,0,0,0,0|0,0,2]=4 3688 B11R0.148 CC(=CCSCCCCC=O)C 62a_100000139335_100000761012 [0,2,0,0,0,0|0,0,2]=4 3689 B11R0.148 CC(=CCSCCCCC=O)C 62a_100000761012_100000139335 [0,2,0,0,0,0|0,0,2]=4 3690 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,2,0,0,0,0|0,0,2]=4 3691 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [0,2,0,0,0,0|1,0,1]=4 3692 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [0,2,0,0,0,0|1,0,1]=4 3693 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [0,2,0,0,0,0|1,0,1]=4 3694 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [0,2,0,0,0,0|1,0,1]=4 3695 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [0,2,0,0,0,0|1,0,1]=4 3696 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [0,2,0,0,0,0|1,0,1]=4 3697 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [0,2,0,0,0,0|1,0,1]=4 3698 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [0,2,0,0,0,0|1,0,1]=4 3699 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [0,2,0,0,0,0|1,0,1]=4 3700 B11R0.148 CC(=O)CCOCCCCC=O 7a_100000759926_100000139335 [0,2,0,0,0,0|1,0,1]=4 3701 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000053229_100000139335 [0,2,0,0,0,0|1,0,1]=4 3702 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000139335_100000053229 [0,2,0,0,0,0|1,0,1]=4 3703 B11R0.148 CC(C)CCCCCNCC=O 2230a_100011290863_200015260668 [0,2,0,0,0,0|0,0,2]=4 3704 B11R0.148 CC(C)CCCCCNCC=O 34a_100011290863_200009817547 [0,2,0,0,0,0|0,0,2]=4 3705 B11R0.148 CC(C)CCCCCOCC=O 34a_100011995859_200009817547 [0,2,0,0,0,0|0,0,2]=4 3706 B11R0.148 CC(C)CCCCCOCC=O 7a_100011995859_200015260668 [0,2,0,0,0,0|0,0,2]=4 3707 B11R0.148 CC(C)CCCCCSCC=O 62a_100000210682_200015260668 [0,2,0,0,0,0|0,0,2]=4 3708 B11R0.148 CC(C)CCCCCSCC=O 62a_200015260668_100000210682 [0,2,0,0,0,0|0,0,2]=4 3709 B11R0.148 CC(C)CCCNCCCC=O 2230a_200000737386_200011292268 [0,2,0,0,0,0|0,0,2]=4 3710 B11R0.148 CC(C)CCCOCCCC=O 7a_100000210774_200011292268 [0,2,0,0,0,0|0,0,2]=4 3711 B11R0.148 CC(C)CCCSCCCC=O 62a_100011214892_200011292268 [0,2,0,0,0,0|0,0,2]=4 3712 B11R0.148 CC(C)CCCSCCCC=O 62a_200011292268_100011214892 [0,2,0,0,0,0|0,0,2]=4 3713 B11R0.148 CC(C)CCOCCCCC=O 7a_100000210254_100000139335 [0,2,0,0,0,0|0,0,2]=4 3714 B11R0.148 CC(C)CCSCCCCC=O 62a_100000139335_100000210312 [0,2,0,0,0,0|0,0,2]=4 3715 B11R0.148 CC(C)CCSCCCCC=O 62a_100000210312_100000139335 [0,2,0,0,0,0|0,0,2]=4 3716 B11R0.148 CC(C)CNCCCCCC=O 2230a_100000210953_100000139337 [0,2,0,0,0,0|0,0,2]=4 3717 B11R0.148 CC(C)COCCCNCC=O 2230a_100000205972_200015260668 [0,2,0,0,0,0|1,0,1]=4 3718 B11R0.148 CC(C)COCCCNCC=O 34a_100000205972_200009817547 [0,2,0,0,0,0|1,0,1]=4 3719 B11R0.148 CC(C)CSCCCCCC=O 62a_100000139337_100000210760 [0,2,0,0,0,0|0,0,2]=4 3720 B11R0.148 CC(C)CSCCCCCC=O 62a_100000210624_100000139337 [0,2,0,0,0,0|0,0,2]=4 3721 B11R0.148 CC(C)NCCCCOCC=O 34a_100011521146_200009817547 [0,2,0,0,0,0|1,0,1]=4 3722 B11R0.148 CC(C)OCCNCCCC=O 2230a_100000701111_200011292268 [0,2,0,0,0,0|1,0,1]=4 3723 B11R0.148 CC(C)OCCOCCCC=O 7a_100000211219_200011292268 [0,2,0,0,0,0|1,0,1]=4 3724 B11R0.148 CC(C)OCCSCCCC=O 62a_100000211751_200011292268 [0,2,0,0,0,0|1,0,1]=4 3725 B11R0.148 CC(C)OCCSCCCC=O 62a_200011292268_100000211751 [0,2,0,0,0,0|1,0,1]=4 3726 B11R0.148 CC(C)OCSCCCCC=O 62a_100000139335_100000709892 [0,2,0,0,0,0|1,0,1]=4 3727 B11R0.148 CC(C)OCSCCCCC=O 62a_100000709892_100000139335 [0,2,0,0,0,0|1,0,1]=4 3728 B11R0.148 CC(C)SCCNCCCC=O 2230a_100000731138_200011292268 [0,2,0,0,0,0|1,0,1]=4 3729 B11R0.148 CC(C)SCCOCCCC=O 7a_200011212901_200011292268 [0,2,0,0,0,0|1,0,1]=4 3730 B11R0.148 CC(C)SCCSCCCC=O 62a_100000730970_200011292268 [0,2,0,0,0,0|1,0,1]=4 3731 B11R0.148 CC(C)SCCSCCCC=O 62a_200011292268_100000730970 [0,2,0,0,0,0|1,0,1]=4 3732 B11R0.148 CC(O)CCCSCCCC=O 62a_200000718107_200011292268 [0,2,0,0,0,0|0,0,2]=4 3733 B11R0.148 CC(O)CCCSCCCC=O 62a_200011292268_200000718107 [0,2,0,0,0,0|0,0,2]=4 3734 B11R0.148 CC(O)CCNCCCCC=O 2230a_200000755665_100000139335 [0,2,0,0,0,0|0,0,2]=4 3735 B11R0.148 CC(O)CCSCCCCC=O 62a_100000139335_100012276601 [0,2,0,0,0,0|0,0,2]=4 3736 B11R0.148 CC(O)CCSCCCCC=O 62a_100012276601_100000139335 [0,2,0,0,0,0|0,0,2]=4 3737 B11R0.148 CC(O)CNCCCCCC=O 2230a_100000210904_100000139337 [0,2,0,0,0,0|0,0,2]=4 3738 B11R0.148 CC(O)CSCCCCCC=O 62a_100000139337_100011218427 [0,2,0,0,0,0|0,0,2]=4 3739 B11R0.148 CC(O)CSCCCCCC=O 62a_100011218427_100000139337 [0,2,0,0,0,0|0,0,2]=4 3740 B11R0.148 CC/C=C/CCCOCC(=O)N 34a_100016287902_100000187820 [0,2,0,0,0,0|0,0,0]=2 3741 B11R0.148 CC/C=C/CCCOCC(=O)N 7a_100016287902_100000187820 [0,2,0,0,0,0|0,0,0]=2 3742 B11R0.148 CC/C=C/CCCOCC(=O)[O-] 34a_100016287902_100020667443 [0,2,0,0,0,0|0,0,0]=2 3743 B11R0.148 CC/C=C/CCCOCC(C)C 34a_100016287902_100000210624 [0,2,0,0,0,0|1,0,1]=4 3744 B11R0.148 CC/C=C/CCCOCC(C)C 7a_100016287902_100000210760 [0,2,0,0,0,0|1,0,1]=4 3745 B11R0.148 CC/C=C/CCCOCC(C)O 34a_100016287902_100011218427 [0,2,0,0,0,0|0,0,2]=4 3746 B11R0.148 CC/C=C/CCCOCC(C)O 7a_100016287902_100011218427 [0,2,0,0,0,0|0,0,2]=4 3747 B11R0.148 CC/C=C/CCCOCC(F)F 34a_100016287902_100011934356 [0,2,0,0,0,0|1,0,1]=4 3748 B11R0.148 CC/C=C/CCCOCC(F)F 7a_100016287902_100011934356 [0,2,0,0,0,0|1,0,1]=4 3749 B11R0.148 CC/C=C/CCCOC[C@@H](C)O 34a_100016287902_100009817552 [0,2,0,0,0,0|0,0,2]=4 3750 B11R0.148 CC/C=C/CCCOC[C@@H](C)O 7a_100016287902_100009817552 [0,2,0,0,0,0|0,0,2]=4 3751 B11R0.148 CC/C=C/CCCOC[N+](=O)[O-] 34a_100016287902_100000761209 [0,2,0,0,0,0|1,0,0]=3 3752 B11R0.148 CC/C=C\CCC=NNC(=O)C 4a_100000189765_100016279218 [0,2,0,0,0,0|1,0,1]=4 3753 B11R0.148 CC/C=C\CCCCOC(C)C 34a_100016287862_100000210206 [0,2,0,0,0,0|1,0,1]=4 3754 B11R0.148 CC/C=C\CCCCOC(C)C 7a_100016287862_100000210206 [0,2,0,0,0,0|1,0,1]=4 3755 B11R0.148 CC/C=C\CCNCC=C(C)C 34a_100000718196_100015370543 [0,2,0,0,0,0|1,0,1]=4 3756 B11R0.148 CC/C=C\CCNCCC(C)O 2230a_200000755665_100015370543 [0,2,0,0,0,0|0,0,2]=4 3757 B11R0.148 CC/C=C\CCNOCC(=O)O 269956a_100000106656_100015370543 [0,2,0,0,0,0|1,0,0]=3 3758 B11R0.148 CC/C=C\CCOCC=C(C)C 34a_100000753907_100015370543 [0,2,0,0,0,0|1,0,1]=4 3759 B11R0.148 CC/C=C\CCOCC=C(C)C 34a_100016288707_100000761012 [0,2,0,0,0,0|1,0,1]=4 3760 B11R0.148 CC/C=C\CCOCC=C(C)C 7a_100016288707_100000761012 [0,2,0,0,0,0|1,0,1]=4 3761 B11R0.148 CC/C=C\CCOCCC(=O)C 34a_100000759926_100015370543 [0,2,0,0,0,0|0,0,0]=2 3762 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100000759926_100015370543 [0,2,0,0,0,0|0,0,0]=2 3763 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100016288707_100000053229 [0,2,0,0,0,0|0,0,0]=2 3764 B11R0.148 CC/C=C\CCOCCC(=O)N 34a_100000757172_100015370543 [0,2,0,0,0,0|0,0,0]=2 3765 B11R0.148 CC/C=C\CCOCCC(=O)N 34a_100016288707_100000731001 [0,2,0,0,0,0|0,0,0]=2 3766 B11R0.148 CC/C=C\CCOCCC(=O)N 7a_100000757172_100015370543 [0,2,0,0,0,0|0,0,0]=2 3767 B11R0.148 CC/C=C\CCOCCC(=O)N 7a_100016288707_100000744528 [0,2,0,0,0,0|0,0,0]=2 3768 B11R0.148 CC/C=C\CCOCCC(C)Br 34a_100009893172_100015370543 [0,2,0,0,0,0|1,0,1]=4 3769 B11R0.148 CC/C=C\CCOCCC(C)C 34a_100000210254_100015370543 [0,2,0,0,0,0|1,0,1]=4 3770 B11R0.148 CC/C=C\CCOCCC(C)C 34a_100016288707_100000210312 [0,2,0,0,0,0|1,0,1]=4 3771 B11R0.148 CC/C=C\CCOCCC(C)C 7a_100000210254_100015370543 [0,2,0,0,0,0|1,0,1]=4 3772 B11R0.148 CC/C=C\CCOCCC(C)C 7a_100016288707_100000210626 [0,2,0,0,0,0|1,0,1]=4 3773 B11R0.148 CC/C=C\CCOCCC(C)O 34a_100016288707_100012276601 [0,2,0,0,0,0|0,0,2]=4 3774 B11R0.148 CC/C=C\CCOCCC(C)O 7a_100016288707_100012276601 [0,2,0,0,0,0|0,0,2]=4 3775 B11R0.148 CC/C=C\CCOCCC(F)F 34a_100103093639_100015370543 [0,2,0,0,0,0|1,0,1]=4 3776 B11R0.148 CC/C=C\CCOCCN(C)C 7a_100016288707_100000755713 [0,2,0,0,0,0|2,0,0]=4 3777 B11R0.148 CC/C=C\CCOCC[C@@H](C)N 34a_100000706166_100015370543 [0,2,0,0,0,0|1,0,1]=4 3778 B11R0.148 CC/C=C\CCOCOC(=O)C 34a_100016288707_100009813279 [0,2,0,0,0,0|1,0,0]=3 3779 B11R0.148 CC/C=C\CCSCC=C(C)C 62a_100000761012_100015370543 [0,2,0,0,0,0|1,0,1]=4 3780 B11R0.148 CC/C=C\CCSCC=C(C)C 62a_100015370543_100000761012 [0,2,0,0,0,0|1,0,1]=4 3781 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100000053229_100015370543 [0,2,0,0,0,0|0,0,0]=2 3782 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100015370543_100000053229 [0,2,0,0,0,0|0,0,0]=2 3783 B11R0.148 CC/C=C\CCSCCC(=O)N 62a_100000744528_100015370543 [0,2,0,0,0,0|0,0,0]=2 3784 B11R0.148 CC/C=C\CCSCCC(=O)N 62a_100015370543_100000744528 [0,2,0,0,0,0|0,0,0]=2 3785 B11R0.148 CC/C=C\CCSCCC(C)C 62a_100000210312_100015370543 [0,2,0,0,0,0|1,0,1]=4 3786 B11R0.148 CC/C=C\CCSCCC(C)C 62a_100015370543_100000210312 [0,2,0,0,0,0|1,0,1]=4 3787 B11R0.148 CC/C=C\CCSCCC(C)O 62a_100012276601_100015370543 [0,2,0,0,0,0|0,0,2]=4 3788 B11R0.148 CC/C=C\CCSCCC(C)O 62a_100015370543_100012276601 [0,2,0,0,0,0|0,0,2]=4 3789 B11R0.148 CC/C=C\CCSCCN(C)C 62a_100015370543_100000755713 [0,2,0,0,0,0|2,0,0]=4 3790 B11R0.148 CC/C=C\CCSCOC(=O)C 62a_100000076356_100015370543 [0,2,0,0,0,0|1,0,0]=3 3791 B11R0.148 CC/C=C\CCSCOC(=O)C 62a_100015370543_100000076356 [0,2,0,0,0,0|1,0,0]=3 3792 B11R0.148 CC/C=C\CNCCCC(=O)N 34a_100000739312_100103147603 [0,2,0,0,0,0|0,0,0]=2 3793 B11R0.148 CC/C=C\CNCCCC(C)C 2230a_200000737386_100103147603 [0,2,0,0,0,0|1,0,1]=4 3794 B11R0.148 CC/C=C\CNCCCC(C)C 34a_200000737386_100103147603 [0,2,0,0,0,0|1,0,1]=4 3795 B11R0.148 CC/C=C\CNCCCS(=O)C 2230a_200000753449_100103147603 [0,2,0,0,0,0|1,0,0]=3 3796 B11R0.148 CC/C=C\CNCCNC(=O)C 2230a_100000209853_100103147603 [0,2,0,0,0,0|1,0,0]=3 3797 B11R0.148 CC/C=C\CNCCNC(=O)N 34a_100020590234_100103147603 [0,2,0,0,0,0|1,0,0]=3 3798 B11R0.148 CC/C=C\COCCC=C(C)C 34a_100016268518_100011217483 [0,2,0,0,0,0|1,0,1]=4 3799 B11R0.148 CC/C=C\COCCC=C(F)F 34a_100016268518_200009816681 [0,2,0,0,0,0|1,0,1]=4 3800 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100000759063_100103147603 [0,2,0,0,0,0|0,0,0]=2 3801 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100016268518_100000685027 [0,2,0,0,0,0|0,0,0]=2 3802 B11R0.148 CC/C=C\COCCCC(=O)C 7a_100000759063_100103147603 [0,2,0,0,0,0|0,0,0]=2 3803 B11R0.148 CC/C=C\COCCCC(=O)N 34a_100016268518_100102525003 [0,2,0,0,0,0|0,0,0]=2 3804 B11R0.148 CC/C=C\COCCCC(C)C 34a_100000210774_100103147603 [0,2,0,0,0,0|1,0,1]=4 3805 B11R0.148 CC/C=C\COCCCC(C)C 34a_100016268518_100011214892 [0,2,0,0,0,0|1,0,1]=4 3806 B11R0.148 CC/C=C\COCCCC(C)C 7a_100000210774_100103147603 [0,2,0,0,0,0|1,0,1]=4 3807 B11R0.148 CC/C=C\COCCCC(C)O 34a_100016268518_200000718107 [0,2,0,0,0,0|0,0,2]=4 3808 B11R0.148 CC/C=C\COCCC[N+](=O)[O-] 34a_200000037920_100103147603 [0,2,0,0,0,0|1,0,0]=3 3809 B11R0.148 CC/C=C\COCCNC(=O)C 34a_100000158858_100103147603 [0,2,0,0,0,0|1,0,0]=3 3810 B11R0.148 CC/C=C\COCCNC(=O)N 34a_100000181757_100103147603 [0,2,0,0,0,0|1,0,0]=3 3811 B11R0.148 CC/C=C\COCCOC(=O)C 34a_100016268518_100009814007 [0,2,0,0,0,0|1,0,0]=3 3812 B11R0.148 CC/C=C\COCCOC(=O)N 34a_100016268518_200011214921 [0,2,0,0,0,0|1,0,0]=3 3813 B11R0.148 CC/C=C\COCCOC(=O)N 7a_100000766696_100103147603 [0,2,0,0,0,0|1,0,0]=3 3814 B11R0.148 CC/C=C\CSCCC=C(C)C 62a_100011217483_100103147603 [0,2,0,0,0,0|1,0,1]=4 3815 B11R0.148 CC/C=C\CSCCC=C(C)C 62a_100103147603_100011217483 [0,2,0,0,0,0|1,0,1]=4 3816 B11R0.148 CC/C=C\CSCCC=C(F)F 62a_100103147603_200009816681 [0,2,0,0,0,0|1,0,1]=4 3817 B11R0.148 CC/C=C\CSCCC=C(F)F 62a_200009816681_100103147603 [0,2,0,0,0,0|1,0,1]=4 3818 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100011215641_100103147603 [0,2,0,0,0,0|0,0,0]=2 3819 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100103147603_100011215641 [0,2,0,0,0,0|0,0,0]=2 3820 B11R0.148 CC/C=C\CSCCCC(=O)N 62a_100102525003_100103147603 [0,2,0,0,0,0|0,0,0]=2 3821 B11R0.148 CC/C=C\CSCCCC(=O)N 62a_100103147603_100102525003 [0,2,0,0,0,0|0,0,0]=2 3822 B11R0.148 CC/C=C\CSCCCC(C)C 62a_100011214892_100103147603 [0,2,0,0,0,0|1,0,1]=4 3823 B11R0.148 CC/C=C\CSCCCC(C)C 62a_100103147603_100011214892 [0,2,0,0,0,0|1,0,1]=4 3824 B11R0.148 CC/C=C\CSCCCC(C)O 62a_100103147603_200000718107 [0,2,0,0,0,0|0,0,2]=4 3825 B11R0.148 CC/C=C\CSCCCC(C)O 62a_200000718107_100103147603 [0,2,0,0,0,0|0,0,2]=4 3826 B11R0.148 CC/C=C\CSCCCN(C)C 62a_100103147603_100000757444 [0,2,0,0,0,0|2,0,0]=4 3827 B11R0.148 CC/C=C\CSCCNC(=O)C 62a_100000189650_100103147603 [0,2,0,0,0,0|1,0,0]=3 3828 B11R0.148 CC/C=C\CSCCNC(=O)C 62a_100103147603_100000189650 [0,2,0,0,0,0|1,0,0]=3 3829 B11R0.148 CC/C=C\CSCCNC(=O)N 62a_100103147603_200000034859 [0,2,0,0,0,0|1,0,0]=3 3830 B11R0.148 CC/C=C\CSCCNC(=O)N 62a_200000034859_100103147603 [0,2,0,0,0,0|1,0,0]=3 3831 B11R0.148 CC/C=C\CSCCOC(=O)C 62a_100009814007_100103147603 [0,2,0,0,0,0|1,0,0]=3 3832 B11R0.148 CC/C=C\CSCCOC(=O)C 62a_100103147603_100009814007 [0,2,0,0,0,0|1,0,0]=3 3833 B11R0.148 CC/C=C\CSCCOC(=O)N 62a_100103147603_200011214921 [0,2,0,0,0,0|1,0,0]=3 3834 B11R0.148 CC/C=C\CSCCOC(=O)N 62a_200011214921_100103147603 [0,2,0,0,0,0|1,0,0]=3 3835 B11R0.148 CC=C=CCCOCCC(=O)N 34a_100011020354_100000731001 [0,2,0,0,0,0|0,0,2]=4 3836 B11R0.148 CC=CCCCOCCC(=O)N 34a_100020645299_100000731001 [0,2,0,0,0,0|0,0,2]=4 3837 B11R0.148 CC=CCNCCCCC(=O)N 34a_100000696515_100000070051 [0,2,0,0,0,0|0,0,2]=4 3838 B11R0.148 CC=CCOCCCCC(=O)N 34a_100012022536_100000070051 [0,2,0,0,0,0|0,0,2]=4 3839 B11R0.148 CC=CCOCCCCC(=O)N 7a_100012022536_100000070051 [0,2,0,0,0,0|0,0,2]=4 3840 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000070051_100000735457 [0,2,0,0,0,0|0,0,2]=4 3841 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000735457_100000070051 [0,2,0,0,0,0|0,0,2]=4 3842 B11R0.148 CCC#CCCOCCC(=O)C 7a_100000036655_100000053229 [0,2,0,0,0,0|0,0,2]=4 3843 B11R0.148 CCC#CCCOCCC(=O)N 34a_100000036655_100000731001 [0,2,0,0,0,0|0,0,2]=4 3844 B11R0.148 CCC#CCCOCCC(=O)N 7a_100000036655_100000744528 [0,2,0,0,0,0|0,0,2]=4 3845 B11R0.148 CCC#CCNCCCC(=O)N 34a_100000739312_100009813939 [0,2,0,0,0,0|0,0,2]=4 3846 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000032950_100000685027 [0,2,0,0,0,0|0,0,2]=4 3847 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000759063_100009813939 [0,2,0,0,0,0|0,0,2]=4 3848 B11R0.148 CCC#CCOCCCC(=O)C 7a_100000759063_100009813939 [0,2,0,0,0,0|0,0,2]=4 3849 B11R0.148 CCC#CCOCCCC(=O)N 34a_100000032950_100102525003 [0,2,0,0,0,0|0,0,2]=4 3850 B11R0.148 CCC#CCSCCCC(=O)C 62a_100009813939_100011215641 [0,2,0,0,0,0|0,0,2]=4 3851 B11R0.148 CCC#CCSCCCC(=O)C 62a_100011215641_100009813939 [0,2,0,0,0,0|0,0,2]=4 3852 B11R0.148 CCC#CCSCCCC(=O)N 62a_100009813939_100102525003 [0,2,0,0,0,0|0,0,2]=4 3853 B11R0.148 CCC#CCSCCCC(=O)N 62a_100102525003_100009813939 [0,2,0,0,0,0|0,0,2]=4 3854 B11R0.148 CCC/C=C/COCCC(=O)C 7a_100016278788_100000053229 [0,2,0,0,0,0|1,0,0]=3 3855 B11R0.148 CCC/C=C/COCCC(=O)N 34a_100016278788_100000731001 [0,2,0,0,0,0|1,0,0]=3 3856 B11R0.148 CCC/C=C/COCCC(=O)N 7a_100016278788_100000744528 [0,2,0,0,0,0|1,0,0]=3 3857 B11R0.148 CCC/C=C/COCOC(=O)C 34a_100016278788_100009813279 [0,2,0,0,0,0|2,0,0]=4 3858 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [0,2,0,0,0,0|1,0,1]=4 3859 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [0,2,0,0,0,0|1,0,1]=4 3860 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,2,0,0,0,0|0,0,2]=4 3861 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,2,0,0,0,0|0,0,2]=4 3862 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,2,0,0,0,0|0,0,2]=4 3863 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [0,2,0,0,0,0|0,0,2]=4 3864 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [0,2,0,0,0,0|0,0,2]=4 3865 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [0,2,0,0,0,0|0,0,2]=4 3866 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [0,2,0,0,0,0|0,0,2]=4 3867 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [0,2,0,0,0,0|0,0,2]=4 3868 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [0,2,0,0,0,0|0,0,2]=4 3869 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [0,2,0,0,0,0|0,0,2]=4 3870 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,2,0,0,0,0|0,0,2]=4 3871 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [0,2,0,0,0,0|0,0,2]=4 3872 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [0,2,0,0,0,0|0,0,2]=4 3873 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [0,2,0,0,0,0|0,0,2]=4 3874 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [0,2,0,0,0,0|0,0,2]=4 3875 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [0,2,0,0,0,0|0,0,2]=4 3876 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [0,2,0,0,0,0|0,0,2]=4 3877 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [0,2,0,0,0,0|0,0,2]=4 3878 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [0,2,0,0,0,0|0,0,2]=4 3879 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,2,0,0,0,0|0,0,2]=4 3880 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,2,0,0,0,0|0,0,2]=4 3881 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,2,0,0,0,0|0,0,2]=4 3882 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [0,2,0,0,0,0|0,0,2]=4 3883 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [0,2,0,0,0,0|0,0,2]=4 3884 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [0,2,0,0,0,0|0,0,2]=4 3885 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [0,2,0,0,0,0|0,0,2]=4 3886 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [0,2,0,0,0,0|0,0,2]=4 3887 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [0,2,0,0,0,0|0,0,2]=4 3888 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [0,2,0,0,0,0|0,0,2]=4 3889 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [0,2,0,0,0,0|0,0,2]=4 3890 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [0,2,0,0,0,0|0,0,2]=4 3891 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [0,2,0,0,0,0|0,0,2]=4 3892 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [0,2,0,0,0,0|0,0,2]=4 3893 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [0,2,0,0,0,0|0,0,2]=4 3894 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [0,2,0,0,0,0|0,0,2]=4 3895 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [0,2,0,0,0,0|0,0,2]=4 3896 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [0,2,0,0,0,0|0,0,2]=4 3897 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [0,2,0,0,0,0|0,0,2]=4 3898 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [0,2,0,0,0,0|0,0,2]=4 3899 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [0,2,0,0,0,0|0,0,2]=4 3900 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [0,2,0,0,0,0|0,0,2]=4 3901 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [0,2,0,0,0,0|0,0,2]=4 3902 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [0,2,0,0,0,0|0,0,2]=4 3903 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [0,2,0,0,0,0|0,0,2]=4 3904 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [0,2,0,0,0,0|0,0,2]=4 3905 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [0,2,0,0,0,0|0,0,2]=4 3906 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [0,2,0,0,0,0|0,0,2]=4 3907 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [0,2,0,0,0,0|0,0,2]=4 3908 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [0,2,0,0,0,0|0,0,2]=4 3909 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [0,2,0,0,0,0|1,0,1]=4 3910 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [0,2,0,0,0,0|1,0,1]=4 3911 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [0,2,0,0,0,0|0,0,2]=4 3912 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [0,2,0,0,0,0|0,0,2]=4 3913 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [0,2,0,0,0,0|0,0,2]=4 3914 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [0,2,0,0,0,0|0,0,2]=4 3915 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [0,2,0,0,0,0|1,0,1]=4 3916 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [0,2,0,0,0,0|1,0,1]=4 3917 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [0,2,0,0,0,0|1,0,1]=4 3918 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [0,2,0,0,0,0|1,0,1]=4 3919 B11R0.148 CCCOCCCNCC(=O)N 2230a_100011217757_100000747473 [0,2,0,0,0,0|1,0,1]=4 3920 B11R0.148 CCCOCCCNCC(=O)N 34a_100011217757_100000187820 [0,2,0,0,0,0|1,0,1]=4 3921 B11R0.148 CCCOCCCNCC(=O)[O-] 34a_100011217757_100020667443 [0,2,0,0,0,0|1,0,1]=4 3922 B11R0.148 CCCOCCNCCC(=O)N 2230a_100161115042_100000744528 [0,2,0,0,0,0|1,0,1]=4 3923 B11R0.148 CCCOCCNCCC(=O)N 34a_100161115042_100000731001 [0,2,0,0,0,0|1,0,1]=4 3924 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [0,2,0,0,0,0|1,0,1]=4 3925 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [0,2,0,0,0,0|1,0,1]=4 3926 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [0,2,0,0,0,0|1,0,1]=4 3927 B11R0.148 CCCOCCOCCC(=O)N 34a_100000752267_100000731001 [0,2,0,0,0,0|1,0,1]=4 3928 B11R0.148 CCCOCCOCCC(=O)N 34a_100000757172_100011215938 [0,2,0,0,0,0|1,0,1]=4 3929 B11R0.148 CCCOCCOCCC(=O)N 7a_100000752267_100000744528 [0,2,0,0,0,0|1,0,1]=4 3930 B11R0.148 CCCOCCOCCC(=O)N 7a_100000757172_100011215938 [0,2,0,0,0,0|1,0,1]=4 3931 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [0,2,0,0,0,0|1,0,1]=4 3932 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [0,2,0,0,0,0|1,0,1]=4 3933 B11R0.148 CCCOCCSCCC(=O)N 62a_100000744528_100011215938 [0,2,0,0,0,0|1,0,1]=4 3934 B11R0.148 CCCOCCSCCC(=O)N 62a_100011215938_100000744528 [0,2,0,0,0,0|1,0,1]=4 3935 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [0,2,0,0,0,0|0,0,2]=4 3936 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [0,2,0,0,0,0|0,0,2]=4 3937 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [0,2,0,0,0,0|1,0,1]=4 3938 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [0,2,0,0,0,0|1,0,1]=4 3939 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [0,2,0,0,0,0|1,0,1]=4 3940 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [0,2,0,0,0,0|1,0,1]=4 3941 B11R0.148 CCCSCCNCCC(=O)N 2230a_100020603323_100000744528 [0,2,0,0,0,0|1,0,1]=4 3942 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [0,2,0,0,0,0|1,0,1]=4 3943 B11R0.148 CCCSCCOCCC(=O)N 34a_200000230433_100000731001 [0,2,0,0,0,0|1,0,1]=4 3944 B11R0.148 CCCSCCOCCC(=O)N 7a_200000230433_100000744528 [0,2,0,0,0,0|1,0,1]=4 3945 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [0,2,0,0,0,0|1,0,1]=4 3946 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [0,2,0,0,0,0|1,0,1]=4 3947 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [0,2,0,0,0,0|1,0,1]=4 3948 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [0,2,0,0,0,0|1,0,1]=4 3949 B11R0.148 CCOCCCNCCC(=O)N 2230a_100000210961_100000744528 [0,2,0,0,0,0|1,0,1]=4 3950 B11R0.148 CCOCCCNCCC(=O)N 34a_100000210961_100000731001 [0,2,0,0,0,0|1,0,1]=4 3951 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [0,2,0,0,0,0|1,0,1]=4 3952 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [0,2,0,0,0,0|1,0,1]=4 3953 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [0,2,0,0,0,0|1,0,1]=4 3954 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757172_100012232248 [0,2,0,0,0,0|1,0,1]=4 3955 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757476_100000731001 [0,2,0,0,0,0|1,0,1]=4 3956 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757172_100012232248 [0,2,0,0,0,0|1,0,1]=4 3957 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757476_100000744528 [0,2,0,0,0,0|1,0,1]=4 3958 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [0,2,0,0,0,0|1,0,1]=4 3959 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [0,2,0,0,0,0|1,0,1]=4 3960 B11R0.148 CCOCCCSCCC(=O)N 62a_100000744528_100012232248 [0,2,0,0,0,0|1,0,1]=4 3961 B11R0.148 CCOCCCSCCC(=O)N 62a_100012232248_100000744528 [0,2,0,0,0,0|1,0,1]=4 3962 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [0,2,0,0,0,0|1,0,1]=4 3963 B11R0.148 CCOCCNCCCC(=O)N 34a_100000739312_100000210147 [0,2,0,0,0,0|1,0,1]=4 3964 B11R0.148 CCOCCNCCCC(=O)N 34a_102516460346_100102525003 [0,2,0,0,0,0|1,0,1]=4 3965 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [0,2,0,0,0,0|1,0,1]=4 3966 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [0,2,0,0,0,0|1,0,1]=4 3967 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [0,2,0,0,0,0|1,0,1]=4 3968 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [0,2,0,0,0,0|1,0,1]=4 3969 B11R0.148 CCOCCOCCCC(=O)N 34a_100000210136_100102525003 [0,2,0,0,0,0|1,0,1]=4 3970 B11R0.148 CCOCCOCCCC(=O)N 7a_100000210136_100102525003 [0,2,0,0,0,0|1,0,1]=4 3971 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [0,2,0,0,0,0|1,0,1]=4 3972 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [0,2,0,0,0,0|1,0,1]=4 3973 B11R0.148 CCOCCSCCCC(=O)N 62a_100000210147_100102525003 [0,2,0,0,0,0|1,0,1]=4 3974 B11R0.148 CCOCCSCCCC(=O)N 62a_100102525003_100011215890 [0,2,0,0,0,0|1,0,1]=4 3975 B11R0.148 CCOCSCCCCC(=O)C 62a_100000735457_100000739092 [0,2,0,0,0,0|1,0,1]=4 3976 B11R0.148 CCOCSCCCCC(=O)C 62a_100000739092_100000735457 [0,2,0,0,0,0|1,0,1]=4 3977 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [0,2,0,0,0,0|1,0,1]=4 3978 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [0,2,0,0,0,0|1,0,1]=4 3979 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [0,2,0,0,0,0|1,0,1]=4 3980 B11R0.148 CCSCCCOCCC(=O)N 34a_100011216438_100000731001 [0,2,0,0,0,0|1,0,1]=4 3981 B11R0.148 CCSCCCOCCC(=O)N 7a_100011216438_100000744528 [0,2,0,0,0,0|1,0,1]=4 3982 B11R0.148 CCSCCNCCCC(=O)N 34a_100000739312_100000757381 [0,2,0,0,0,0|1,0,1]=4 3983 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [0,2,0,0,0,0|1,0,1]=4 3984 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [0,2,0,0,0,0|1,0,1]=4 3985 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [0,2,0,0,0,0|1,0,1]=4 3986 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [0,2,0,0,0,0|1,0,1]=4 3987 B11R0.148 CCSCCOCCCC(=O)N 34a_100000212035_100102525003 [0,2,0,0,0,0|1,0,1]=4 3988 B11R0.148 CCSCCOCCCC(=O)N 7a_100000212035_100102525003 [0,2,0,0,0,0|1,0,1]=4 3989 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [0,2,0,0,0,0|1,0,1]=4 3990 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [0,2,0,0,0,0|1,0,1]=4 3991 B11R0.148 CCSCCSCCCC(=O)N 62a_100000757381_100102525003 [0,2,0,0,0,0|1,0,1]=4 3992 B11R0.148 CCSCCSCCCC(=O)N 62a_100102525003_100000757381 [0,2,0,0,0,0|1,0,1]=4 3993 B11R0.148 CN(C)CCSCCCCC=O 62a_100000139335_100000755713 [0,2,0,0,0,0|1,0,1]=4 3994 B11R0.148 COCCNCCCCC(=O)N 34a_100000696515_100011201679 [0,2,0,0,0,0|1,0,1]=4 3995 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [0,2,0,0,0,0|1,0,1]=4 3996 B11R0.148 COCCOCCCCC(=O)N 34a_100012022536_100011201679 [0,2,0,0,0,0|1,0,1]=4 3997 B11R0.148 COCCOCCCCC(=O)N 7a_100012022536_100000233755 [0,2,0,0,0,0|1,0,1]=4 3998 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [0,2,0,0,0,0|1,0,1]=4 3999 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [0,2,0,0,0,0|1,0,1]=4 4000 B11R0.148 COCSCCCCCC(=O)N 62a_100000766300_100009817443 [0,2,0,0,0,0|1,0,1]=4 4001 B11R0.148 COCSCCCCCC(=O)N 62a_100009817443_100000766300 [0,2,0,0,0,0|1,0,1]=4 4002 B11R0.148 CSCCNCCCCC(=O)N 34a_100000696515_100000212216 [0,2,0,0,0,0|1,0,1]=4 4003 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [0,2,0,0,0,0|1,0,1]=4 4004 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [0,2,0,0,0,0|1,0,1]=4 4005 B11R0.148 CSCCOCCCCC(=O)N 34a_100012022536_100000212216 [0,2,0,0,0,0|1,0,1]=4 4006 B11R0.148 CSCCOCCCCC(=O)N 7a_100012022536_100000212216 [0,2,0,0,0,0|1,0,1]=4 4007 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [0,2,0,0,0,0|1,0,1]=4 4008 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [0,2,0,0,0,0|1,0,1]=4 4009 B11R0.148 CSCOCCCCCC(=O)N 34a_100000123541_100011218213 [0,2,0,0,0,0|1,0,1]=4 4010 B11R0.148 CSCSCCCCCC(=O)N 62a_100009817443_100011218213 [0,2,0,0,0,0|1,0,1]=4 4011 B11R0.148 CSCSCCCCCC(=O)N 62a_100011218213_100009817443 [0,2,0,0,0,0|1,0,1]=4 4012 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100000139337_100009817552 [0,2,0,0,0,0|0,0,2]=4 4013 B11R0.148 C[C@@H](O)CSCCCCCC=O 62a_100009817552_100000139337 [0,2,0,0,0,0|0,0,2]=4 4014 B11R0.148 NC(=O)CCCCCNCCF 34a_100000724931_100009817443 [0,2,0,0,0,0|1,0,1]=4 4015 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [0,2,0,0,0,0|1,0,1]=4 4016 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [0,2,0,0,0,0|1,0,1]=4 4017 B11R0.148 NC(=O)CCCCCOCCBr 34a_100000211926_100009817443 [0,2,0,0,0,0|1,0,1]=4 4018 B11R0.148 NC(=O)CCCCCOCCF 34a_100000123541_100011217306 [0,2,0,0,0,0|1,0,1]=4 4019 B11R0.148 NC(=O)CCCCCOCCF 7a_100000123541_100011217306 [0,2,0,0,0,0|1,0,1]=4 4020 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [0,2,0,0,0,0|1,0,1]=4 4021 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [0,2,0,0,0,0|1,0,1]=4 4022 B11R0.148 NC(=O)CCCCCSCCF 62a_100009817443_100011217306 [0,2,0,0,0,0|1,0,1]=4 4023 B11R0.148 NC(=O)CCCCCSCCF 62a_100011217306_100009817443 [0,2,0,0,0,0|1,0,1]=4 4024 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [0,2,0,0,0,0|1,0,1]=4 4025 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [0,2,0,0,0,0|1,0,1]=4 4026 B11R0.148 NC(=O)CCCCNCCCF 34a_100000696515_100011934791 [0,2,0,0,0,0|1,0,1]=4 4027 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [0,2,0,0,0,0|1,0,1]=4 4028 B11R0.148 NC(=O)CCCCOCCCF 34a_100012022536_100011934791 [0,2,0,0,0,0|1,0,1]=4 4029 B11R0.148 NC(=O)CCCCOCCCF 7a_100012022536_100011934791 [0,2,0,0,0,0|1,0,1]=4 4030 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [0,2,0,0,0,0|1,0,1]=4 4031 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [0,2,0,0,0,0|1,0,1]=4 4032 B11R0.148 NCCOCCCCCC(=O)N 34a_100000210304_100009817443 [0,2,0,0,0,0|1,0,1]=4 4033 B11R0.148 O=C([O-])CCCCCOCCF 7a_100102619762_100011217306 [0,2,0,0,0,0|1,0,1]=4 4034 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [0,2,0,0,0,0|1,0,1]=4 4035 B11R0.148 O=CCCCCCSCC(F)F 62a_100000139337_100011934356 [0,2,0,0,0,0|1,0,1]=4 4036 B11R0.148 O=CCCCCCSCC(F)F 62a_100011934356_100000139337 [0,2,0,0,0,0|1,0,1]=4 4037 B11R0.148 O=CCCCSC/C=C/B(O)O 62a_100016262062_200011292268 [0,2,0,0,0,0|2,0,0]=4 4038 B11R0.148 O=CCCCSC/C=C/B(O)O 62a_200011292268_100016262062 [0,2,0,0,0,0|2,0,0]=4 4039 B11R0.148 O=CCSCCC/C=C/B(O)O 62a_200015260668_200016261450 [0,2,0,0,0,0|2,0,0]=4 4040 B11R0.148 O=CCSCCC/C=C/B(O)O 62a_200016261450_200015260668 [0,2,0,0,0,0|2,0,0]=4 4041 B11R0.159 CC(C)(C)CNCCCCC=O 2230a_100000743828_100000139335 [0,2,0,0,0,0|1,0,1]=4 4042 B11R0.159 CC(C)(C)CSCCCCC=O 62a_100000139335_100011219605 [0,2,0,0,0,0|1,0,1]=4 4043 B11R0.159 CC(C)(C)CSCCCCC=O 62a_100011219605_100000139335 [0,2,0,0,0,0|1,0,1]=4 4044 B11R0.159 CC(C)(C)NCCCCCC=O 2230a_100000715429_100000139337 [0,2,0,0,0,0|1,0,1]=4 4045 B11R0.159 CC(C)(C)OCCCCCC=O 7a_100015890283_100000139337 [0,2,0,0,0,0|1,0,1]=4 4046 B11R0.159 CC(C)(C)SCCCCCC=O 62a_100000139337_100000211941 [0,2,0,0,0,0|1,0,1]=4 4047 B11R0.159 CC(C)(C)SCCCCCC=O 62a_100000211941_100000139337 [0,2,0,0,0,0|1,0,1]=4 4048 B11R0.159 CC(C)(F)CNCCCCC=O 2230a_100020643315_100000139335 [0,2,0,0,0,0|1,0,1]=4 4049 B11R0.159 CC(C)(F)CSCCCCC=O 62a_100000139335_100011997219 [0,2,0,0,0,0|1,0,1]=4 4050 B11R0.159 CC(C)(F)CSCCCCC=O 62a_100011997219_100000139335 [0,2,0,0,0,0|1,0,1]=4 4051 B11R0.159 CC(C)(O)CNCCCCC=O 2230a_100000751335_100000139335 [0,2,0,0,0,0|1,0,1]=4 4052 B11R0.159 CC(C)(O)CSCCCCC=O 62a_100000139335_100000764493 [0,2,0,0,0,0|1,0,1]=4 4053 B11R0.159 CC(C)(O)CSCCCCC=O 62a_100000764493_100000139335 [0,2,0,0,0,0|1,0,1]=4 4054 B11R0.159 CC/C=C\CCOCS(=O)(=O)[O-] 34a_100016288707_100009817235 [0,2,0,0,0,0|2,0,0]=4 4055 B11R0.159 CC/C=C\CCSCS(=O)(=O)N 62a_100000741382_100015370543 [0,2,0,0,0,0|2,0,0]=4 4056 B11R0.159 CC/C=C\CCSCS(=O)(=O)N 62a_100015370543_100000741382 [0,2,0,0,0,0|2,0,0]=4 4057 B11R0.159 CC/C=C\CCSCS(=O)(=O)[O-] 62a_100009817235_100015370543 [0,2,0,0,0,0|2,0,0]=4 4058 B11R0.159 CC/C=C\CCSCS(=O)(=O)[O-] 62a_100015370543_100009817235 [0,2,0,0,0,0|2,0,0]=4 4059 B11R0.159 CC/C=C\CNCCS(=O)(=O)C 2230a_100000740961_100103147603 [0,2,0,0,0,0|2,0,0]=4 4060 B11R0.159 CC/C=C\CNCCS(=O)(=O)C 34a_100000740961_100103147603 [0,2,0,0,0,0|2,0,0]=4 4061 B11R0.159 CC/C=C\CNCCS(=O)(=O)N 2230a_100000738205_100103147603 [0,2,0,0,0,0|2,0,0]=4 4062 B11R0.159 CC/C=C\CNCCS(=O)(=O)N 34a_100000738205_100103147603 [0,2,0,0,0,0|2,0,0]=4 4063 B11R0.159 CC/C=C\COCCS(=O)(=O)C 34a_100000211924_100103147603 [0,2,0,0,0,0|2,0,0]=4 4064 B11R0.159 CC/C=C\COCCS(=O)(=O)C 34a_100016268518_100000731031 [0,2,0,0,0,0|2,0,0]=4 4065 B11R0.159 CC/C=C\COCCS(=O)(=O)C 7a_100000211924_100103147603 [0,2,0,0,0,0|2,0,0]=4 4066 B11R0.159 CC/C=C\COCCS(=O)(=O)N 34a_100012334274_100103147603 [0,2,0,0,0,0|2,0,0]=4 4067 B11R0.159 CC/C=C\COCCS(=O)(=O)[O-] 34a_100016268518_100000762736 [0,2,0,0,0,0|2,0,0]=4 4068 B11R0.159 CC/C=C\CSCCS(=O)(=O)C 62a_100000731031_100103147603 [0,2,0,0,0,0|2,0,0]=4 4069 B11R0.159 CC/C=C\CSCCS(=O)(=O)C 62a_100103147603_100000230027 [0,2,0,0,0,0|2,0,0]=4 4070 B11R0.159 CC/C=C\CSCCS(=O)(=O)[O-] 62a_100000762736_100103147603 [0,2,0,0,0,0|2,0,0]=4 4071 B11R0.159 CC/C=C\CSCCS(=O)(=O)[O-] 62a_100103147603_100000762736 [0,2,0,0,0,0|2,0,0]=4 4072 B11R0.3 C#CCCCCNC/C=C\CC 2230a_100000706060_100103147603 [0,2,0,0,0,0|1,0,1]=4 4073 B11R0.3 C#CCCCCNC/C=C\CC 34a_100000706060_100103147603 [0,2,0,0,0,0|1,0,1]=4 4074 B11R0.3 C#CCCCCOC/C=C\CC 34a_100000766709_100103147603 [0,2,0,0,0,0|1,0,1]=4 4075 B11R0.3 C#CCCCCOC/C=C\CC 34a_100016268518_100010269958 [0,2,0,0,0,0|1,0,1]=4 4076 B11R0.3 C#CCCCCOC/C=C\CC 7a_100000766709_100103147603 [0,2,0,0,0,0|1,0,1]=4 4077 B11R0.3 C#CCCCCSC/C=C\CC 62a_100010269958_100103147603 [0,2,0,0,0,0|1,0,1]=4 4078 B11R0.3 C#CCCCCSC/C=C\CC 62a_100103147603_100010269958 [0,2,0,0,0,0|1,0,1]=4 4079 B11R0.3 C#CCCCNCC/C=C\CC 34a_100000718082_100015370543 [0,2,0,0,0,0|1,0,1]=4 4080 B11R0.3 C#CCCCOC/C=C/CCC 34a_100016278788_100000695029 [0,2,0,0,0,0|1,0,1]=4 4081 B11R0.3 C#CCCCOC/C=C/CCC 7a_100016278788_100011215417 [0,2,0,0,0,0|1,0,1]=4 4082 B11R0.3 C#CCCCOCC/C=C\CC 34a_100000215630_100015370543 [0,2,0,0,0,0|1,0,1]=4 4083 B11R0.3 C#CCCCOCC/C=C\CC 34a_100016288707_100000695029 [0,2,0,0,0,0|1,0,1]=4 4084 B11R0.3 C#CCCCOCC/C=C\CC 7a_100000215630_100015370543 [0,2,0,0,0,0|1,0,1]=4 4085 B11R0.3 C#CCCCOCC/C=C\CC 7a_100016288707_100011215417 [0,2,0,0,0,0|1,0,1]=4 4086 B11R0.3 C#CCCCOCCCCC=O 7a_100000215630_100000139335 [0,2,0,0,0,0|1,0,1]=4 4087 B11R0.3 C#CCCCSCC/C=C\CC 62a_100011215417_100015370543 [0,2,0,0,0,0|1,0,1]=4 4088 B11R0.3 C#CCCCSCC/C=C\CC 62a_100015370543_100011215417 [0,2,0,0,0,0|1,0,1]=4 4089 B11R0.3 C#CCCCSCCCCC=O 62a_100000139335_100011215417 [0,2,0,0,0,0|1,0,1]=4 4090 B11R0.3 C#CCCCSCCCCC=O 62a_100011215417_100000139335 [0,2,0,0,0,0|1,0,1]=4 4091 B11R0.3 C#CCCOCCC/C=C/CC 34a_100016287902_100000688953 [0,2,0,0,0,0|1,0,1]=4 4092 B11R0.3 C#CCCOCCC/C=C/CC 7a_100016287902_100000688953 [0,2,0,0,0,0|1,0,1]=4 4093 B11R0.3 C#CCCSCCCCCC=O 62a_100000139337_100000688953 [0,2,0,0,0,0|1,0,1]=4 4094 B11R0.3 C#CCCSCCCCCC=O 62a_100000688953_100000139337 [0,2,0,0,0,0|1,0,1]=4 4095 B11R0.3 C#CCOCCCC/C=C\CC 34a_100016287862_100000184674 [0,2,0,0,0,0|1,0,1]=4 4096 B11R0.3 C#CCOCCCC/C=C\CC 7a_100016287862_100000038162 [0,2,0,0,0,0|1,0,1]=4 4097 B11R0.3 C#CCOCCNC/C=C\CC 2230a_100000700922_100103147603 [0,2,0,0,0,0|1,0,1]=4 4098 B11R0.3 C#CCOCCNC/C=C\CC 34a_100000700922_100103147603 [0,2,0,0,0,0|1,0,1]=4 4099 B11R0.3 C#CCOCCOC/C=C\CC 34a_100000054580_100103147603 [0,2,0,0,0,0|1,0,1]=4 4100 B11R0.3 C#CCOCCOC/C=C\CC 34a_100016268518_100010402529 [0,2,0,0,0,0|1,0,1]=4 4101 B11R0.3 C#CCOCCOC/C=C\CC 7a_100000054580_100103147603 [0,2,0,0,0,0|1,0,1]=4 4102 B11R0.3 C#CCOCCSC/C=C\CC 62a_100010402529_100103147603 [0,2,0,0,0,0|1,0,1]=4 4103 B11R0.3 C#CCOCCSC/C=C\CC 62a_100103147603_100010402529 [0,2,0,0,0,0|1,0,1]=4 4104 B11R0.3 C/C=C/CCOCC/C=C\CC 34a_100016278192_100015370543 [0,2,0,0,0,0|1,0,0]=3 4105 B11R0.3 C/C=C/COCCC/C=C/CC 34a_100016287902_100102629194 [0,2,0,0,0,0|1,0,0]=3 4106 B11R0.3 C/C=C/COCCC/C=C/CC 7a_100016287902_100102629194 [0,2,0,0,0,0|1,0,0]=3 4107 B11R0.3 C/C=C/CSCCCCCC=O 62a_100000139337_100102629194 [0,2,0,0,0,0|0,0,2]=4 4108 B11R0.3 C/C=C/CSCCCCCC=O 62a_100102629194_100000139337 [0,2,0,0,0,0|0,0,2]=4 4109 B11R0.3 C=CCCCCNC/C=C\CC 2230a_100000703577_100103147603 [0,2,0,0,0,0|1,0,0]=3 4110 B11R0.3 C=CCCCCNC/C=C\CC 34a_100000703577_100103147603 [0,2,0,0,0,0|1,0,0]=3 4111 B11R0.3 C=CCCCCOC/C=C\CC 34a_100000766645_100103147603 [0,2,0,0,0,0|1,0,0]=3 4112 B11R0.3 C=CCCCCOC/C=C\CC 34a_100016268518_100011215482 [0,2,0,0,0,0|1,0,0]=3 4113 B11R0.3 C=CCCCCOC/C=C\CC 7a_100000766645_100103147603 [0,2,0,0,0,0|1,0,0]=3 4114 B11R0.3 C=CCCCCSC/C=C\CC 62a_100011215482_100103147603 [0,2,0,0,0,0|1,0,0]=3 4115 B11R0.3 C=CCCCCSC/C=C\CC 62a_100103147603_100011215482 [0,2,0,0,0,0|1,0,0]=3 4116 B11R0.3 C=CCCCNCC/C=C\CC 2230a_100000700776_100015370543 [0,2,0,0,0,0|1,0,0]=3 4117 B11R0.3 C=CCCCNCC/C=C\CC 34a_100000700776_100015370543 [0,2,0,0,0,0|1,0,0]=3 4118 B11R0.3 C=CCCCNCCCCC=O 2230a_100000700776_100000139335 [0,2,0,0,0,0|1,0,1]=4 4119 B11R0.3 C=CCCCOC/C=C/C=C/C 34a_100016283227_100000757094 [0,2,0,0,0,0|1,0,1]=4 4120 B11R0.3 C=CCCCOC/C=C/CCC 34a_100016278788_100000757094 [0,2,0,0,0,0|1,0,0]=3 4121 B11R0.3 C=CCCCOC/C=C/CCC 7a_100016278788_100000757094 [0,2,0,0,0,0|1,0,0]=3 4122 B11R0.3 C=CCCCOCC/C=C\CC 34a_100000758997_100015370543 [0,2,0,0,0,0|1,0,0]=3 4123 B11R0.3 C=CCCCOCC/C=C\CC 34a_100016288707_100000757094 [0,2,0,0,0,0|1,0,0]=3 4124 B11R0.3 C=CCCCOCC/C=C\CC 7a_100000758997_100015370543 [0,2,0,0,0,0|1,0,0]=3 4125 B11R0.3 C=CCCCOCC/C=C\CC 7a_100016288707_100000757094 [0,2,0,0,0,0|1,0,0]=3 4126 B11R0.3 C=CCCCOCCCCC=O 7a_100000758997_100000139335 [0,2,0,0,0,0|1,0,1]=4 4127 B11R0.3 C=CCCCSCC/C=C\CC 62a_100011713584_100015370543 [0,2,0,0,0,0|1,0,0]=3 4128 B11R0.3 C=CCCCSCC/C=C\CC 62a_100015370543_100000757094 [0,2,0,0,0,0|1,0,0]=3 4129 B11R0.3 C=CCCCSCCCCC=O 62a_100000139335_100000757094 [0,2,0,0,0,0|1,0,1]=4 4130 B11R0.3 C=CCCCSCCCCC=O 62a_100011713584_100000139335 [0,2,0,0,0,0|1,0,1]=4 4131 B11R0.3 C=CCCNCCCCCC=O 2230a_100015191253_100000139337 [0,2,0,0,0,0|1,0,1]=4 4132 B11R0.3 C=CCCOC/C=C/CCCC 34a_200016272032_100000754431 [0,2,0,0,0,0|2,0,0]=4 4133 B11R0.3 C=CCCOC/C=C/CCCC 7a_200016272032_100000754431 [0,2,0,0,0,0|2,0,0]=4 4134 B11R0.3 C=CCCOCCC/C=C/CC 34a_100016287902_100000754431 [0,2,0,0,0,0|1,0,0]=3 4135 B11R0.3 C=CCCOCCC/C=C/CC 7a_100016287902_100000754431 [0,2,0,0,0,0|1,0,0]=3 4136 B11R0.3 C=CCCSCCCCCC=O 62a_100000139337_100000754431 [0,2,0,0,0,0|1,0,1]=4 4137 B11R0.3 C=CCCSCCCCCC=O 62a_100000754431_100000139337 [0,2,0,0,0,0|1,0,1]=4 4138 B11R0.3 C=CCOCC/C=C\CCCC 34a_200016286491_100015514636 [0,2,0,0,0,0|2,0,0]=4 4139 B11R0.3 C=CCOCC/C=C\CCCC 7a_200016286491_100015514636 [0,2,0,0,0,0|2,0,0]=4 4140 B11R0.3 C=CCOCCCC/C=C\CC 34a_100016287862_100015514636 [0,2,0,0,0,0|1,0,0]=3 4141 B11R0.3 C=CCOCCCC/C=C\CC 7a_100016287862_100015514636 [0,2,0,0,0,0|1,0,0]=3 4142 B11R0.3 C=CCOCCOC/C=C\CC 34a_100000037705_100103147603 [0,2,0,0,0,0|1,0,0]=3 4143 B11R0.3 C=CCOCCOC/C=C\CC 7a_100000037705_100103147603 [0,2,0,0,0,0|1,0,0]=3 4144 B11R0.3 C=COCCCNC/C=C\CC 2230a_100000210767_100103147603 [0,2,0,0,0,0|1,0,0]=3 4145 B11R0.3 C=COCCCNC/C=C\CC 34a_100000210767_100103147603 [0,2,0,0,0,0|1,0,0]=3 4146 B11R0.3 C=COCCOC/C=C/CCC 34a_100016278788_100000039644 [0,2,0,0,0,0|2,0,0]=4 4147 B11R0.3 C=COCCOC/C=C/CCC 7a_100016278788_100000039644 [0,2,0,0,0,0|2,0,0]=4 4148 B11R0.3 C=COCCOCC/C=C\CC 34a_100000033082_100015370543 [0,2,0,0,0,0|1,0,0]=3 4149 B11R0.3 C=COCCOCC/C=C\CC 34a_100016288707_100000039644 [0,2,0,0,0,0|1,0,0]=3 4150 B11R0.3 C=COCCOCC/C=C\CC 7a_100016288707_100000039644 [0,2,0,0,0,0|1,0,0]=3 4151 B11R0.3 C=COCCSCC/C=C\CC 62a_100000039644_100015370543 [0,2,0,0,0,0|1,0,0]=3 4152 B11R0.3 C=COCCSCC/C=C\CC 62a_100015370543_100000039644 [0,2,0,0,0,0|1,0,0]=3 4153 B11R0.3 CC#CCCOCC/C=C\CC 34a_100000750427_100015370543 [0,2,0,0,0,0|1,0,1]=4 4154 B11R0.3 CC#CCNCCCCCC=O 2230a_100000685387_100000139337 [0,2,0,0,0,0|1,0,1]=4 4155 B11R0.3 CC#CCOCCC/C=C/CC 34a_100016287902_100000748600 [0,2,0,0,0,0|1,0,1]=4 4156 B11R0.3 CC#CCOCCC/C=C/CC 7a_100016287902_100000748600 [0,2,0,0,0,0|1,0,1]=4 4157 B11R0.3 CC#CCSCCCCCC=O 62a_100000139337_100000748600 [0,2,0,0,0,0|1,0,1]=4 4158 B11R0.3 CC#CCSCCCCCC=O 62a_100000748600_100000139337 [0,2,0,0,0,0|1,0,1]=4 4159 B11R0.3 CC/C=C/CCCOCCC#N 7a_100016287902_100000184422 [0,2,0,0,0,0|1,0,1]=4 4160 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [0,2,0,0,0,0|1,0,1]=4 4161 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [0,2,0,0,0,0|1,0,1]=4 4162 B11R0.3 CC/C=C/CCCOCCCF 34a_100016287902_100011934791 [0,2,0,0,0,0|1,0,1]=4 4163 B11R0.3 CC/C=C/CCCOCCCF 7a_100016287902_100011934791 [0,2,0,0,0,0|1,0,1]=4 4164 B11R0.3 CC/C=C/CCCOCCCO 34a_100016287902_100000230001 [0,2,0,0,0,0|0,0,2]=4 4165 B11R0.3 CC/C=C/CCCOCCCO 7a_100016287902_100011215043 [0,2,0,0,0,0|0,0,2]=4 4166 B11R0.3 CC/C=C/CCCOCCOC 34a_100016287902_100011201679 [0,2,0,0,0,0|0,0,2]=4 4167 B11R0.3 CC/C=C/CCCOCCOC 7a_100016287902_100000233755 [0,2,0,0,0,0|0,0,2]=4 4168 B11R0.3 CC/C=C/CCCOCCSC 34a_100016287902_100000212216 [0,2,0,0,0,0|0,1,1]=4 4169 B11R0.3 CC/C=C/CCCOCCSC 7a_100016287902_100000212216 [0,2,0,0,0,0|0,1,1]=4 4170 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [0,2,0,0,0,0|1,0,1]=4 4171 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [0,2,0,0,0,0|0,0,2]=4 4172 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [0,2,0,0,0,0|0,0,2]=4 4173 B11R0.3 CC/C=C\CCCCCOCF 34a_100016268722_100015361967 [0,2,0,0,0,0|0,0,2]=4 4174 B11R0.3 CC/C=C\CCCCCOCF 7a_100016268722_100015361967 [0,2,0,0,0,0|0,0,2]=4 4175 B11R0.3 CC/C=C\CCCCOCC#N 7a_100016287862_100011215382 [0,2,0,0,0,0|1,0,1]=4 4176 B11R0.3 CC/C=C\CCCCOCC=O 34a_100016287862_200009817547 [0,2,0,0,0,0|0,0,0]=2 4177 B11R0.3 CC/C=C\CCCCOCC=O 7a_100016287862_200015260668 [0,2,0,0,0,0|0,0,0]=2 4178 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [0,2,0,0,0,0|1,0,1]=4 4179 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [0,2,0,0,0,0|1,0,1]=4 4180 B11R0.3 CC/C=C\CCCCOCCF 34a_100016287862_100011217306 [0,2,0,0,0,0|1,0,1]=4 4181 B11R0.3 CC/C=C\CCCCOCCF 7a_100016287862_100011217306 [0,2,0,0,0,0|1,0,1]=4 4182 B11R0.3 CC/C=C\CCCCOCCO 34a_100016287862_100000211926 [0,2,0,0,0,0|0,0,2]=4 4183 B11R0.3 CC/C=C\CCCCOCCO 7a_100016287862_100000211926 [0,2,0,0,0,0|0,0,2]=4 4184 B11R0.3 CC/C=C\CCCCOCSC 34a_100016287862_100011218213 [0,2,0,0,0,0|0,1,1]=4 4185 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [0,2,0,0,0,0|1,0,1]=4 4186 B11R0.3 CC/C=C\CCNCCCCO 2230a_100000750430_100015370543 [0,2,0,0,0,0|0,0,2]=4 4187 B11R0.3 CC/C=C\CCNCCCCO 34a_100000750430_100015370543 [0,2,0,0,0,0|0,0,2]=4 4188 B11R0.3 CC/C=C\CCNCCCOC 34a_100150723488_100015370543 [0,2,0,0,0,0|0,0,2]=4 4189 B11R0.3 CC/C=C\CCNCCCSC 2230a_100000749238_100015370543 [0,2,0,0,0,0|0,1,1]=4 4190 B11R0.3 CC/C=C\CCNCCOCC 2230a_102516460346_100015370543 [0,2,0,0,0,0|1,0,1]=4 4191 B11R0.3 CC/C=C\CCNCCOCC 34a_102516460346_100015370543 [0,2,0,0,0,0|1,0,1]=4 4192 B11R0.3 CC/C=C\CCNCCSCC 2230a_100000106463_100015370543 [0,2,0,0,0,0|1,0,1]=4 4193 B11R0.3 CC/C=C\CCOC/C=C\CC 34a_100016268518_100015370543 [0,2,0,0,0,0|1,0,1]=4 4194 B11R0.3 CC/C=C\CCOC/C=C\CC 34a_100016288707_100103147603 [0,2,0,0,0,0|1,0,1]=4 4195 B11R0.3 CC/C=C\CCOC/C=C\CC 7a_100016288707_100103147603 [0,2,0,0,0,0|1,0,1]=4 4196 B11R0.3 CC/C=C\CCOCCCC#N 7a_100016288707_100000687738 [0,2,0,0,0,0|1,0,1]=4 4197 B11R0.3 CC/C=C\CCOCCCC=O 7a_100016288707_200011292268 [0,2,0,0,0,0|0,0,0]=2 4198 B11R0.3 CC/C=C\CCOCCCCBr 34a_100011216708_100015370543 [0,2,0,0,0,0|1,0,1]=4 4199 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [0,2,0,0,0,0|1,0,1]=4 4200 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [0,2,0,0,0,0|1,0,1]=4 4201 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [0,2,0,0,0,0|1,0,1]=4 4202 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [0,2,0,0,0,0|1,0,1]=4 4203 B11R0.3 CC/C=C\CCOCCCCCl 34a_100000210776_100015370543 [0,2,0,0,0,0|1,0,1]=4 4204 B11R0.3 CC/C=C\CCOCCCCCl 7a_100000210776_100015370543 [0,2,0,0,0,0|1,0,1]=4 4205 B11R0.3 CC/C=C\CCOCCCCF 34a_100011995726_100015370543 [0,2,0,0,0,0|1,0,1]=4 4206 B11R0.3 CC/C=C\CCOCCCCF 34a_100016288707_100000729493 [0,2,0,0,0,0|1,0,1]=4 4207 B11R0.3 CC/C=C\CCOCCCCF 7a_100011995726_100015370543 [0,2,0,0,0,0|1,0,1]=4 4208 B11R0.3 CC/C=C\CCOCCCCF 7a_100016288707_100000729493 [0,2,0,0,0,0|1,0,1]=4 4209 B11R0.3 CC/C=C\CCOCCCCI 34a_200012148704_100015370543 [0,2,0,0,0,0|1,0,1]=4 4210 B11R0.3 CC/C=C\CCOCCCCN 34a_100000750430_100015370543 [0,2,0,0,0,0|1,0,1]=4 4211 B11R0.3 CC/C=C\CCOCCCCO 34a_100016288707_100011216708 [0,2,0,0,0,0|0,0,2]=4 4212 B11R0.3 CC/C=C\CCOCCCCO 7a_100016288707_100000210776 [0,2,0,0,0,0|0,0,2]=4 4213 B11R0.3 CC/C=C\CCOCCCNC 34a_100000213112_100015370543 [0,2,0,0,0,0|1,0,1]=4 4214 B11R0.3 CC/C=C\CCOCCCOC 34a_100000740835_100015370543 [0,2,0,0,0,0|0,0,2]=4 4215 B11R0.3 CC/C=C\CCOCCCOC 34a_100016288707_100000740836 [0,2,0,0,0,0|0,0,2]=4 4216 B11R0.3 CC/C=C\CCOCCCOC 7a_100016288707_100000740836 [0,2,0,0,0,0|0,0,2]=4 4217 B11R0.3 CC/C=C\CCOCCCSC 34a_100000690336_100015370543 [0,2,0,0,0,0|0,1,1]=4 4218 B11R0.3 CC/C=C\CCOCCCSC 7a_100000690336_100015370543 [0,2,0,0,0,0|0,1,1]=4 4219 B11R0.3 CC/C=C\CCOCCOCC 34a_100000210136_100015370543 [0,2,0,0,0,0|1,0,1]=4 4220 B11R0.3 CC/C=C\CCOCCOCC 34a_100016288707_100000210147 [0,2,0,0,0,0|1,0,1]=4 4221 B11R0.3 CC/C=C\CCOCCOCC 7a_100000210136_100015370543 [0,2,0,0,0,0|1,0,1]=4 4222 B11R0.3 CC/C=C\CCOCCOCC 7a_100016288707_100011215890 [0,2,0,0,0,0|1,0,1]=4 4223 B11R0.3 CC/C=C\CCOCCSCC 34a_100000212035_100015370543 [0,2,0,0,0,0|1,0,1]=4 4224 B11R0.3 CC/C=C\CCOCCSCC 34a_100016288707_100000757381 [0,2,0,0,0,0|1,0,1]=4 4225 B11R0.3 CC/C=C\CCOCCSCC 7a_100000212035_100015370543 [0,2,0,0,0,0|1,0,1]=4 4226 B11R0.3 CC/C=C\CCOCCSCC 7a_100016288707_100000757381 [0,2,0,0,0,0|1,0,1]=4 4227 B11R0.3 CC/C=C\CCSC/C=C\CC 62a_100015370543_100103147603 [0,2,0,0,0,0|1,0,1]=4 4228 B11R0.3 CC/C=C\CCSC/C=C\CC 62a_100103147603_100015370543 [0,2,0,0,0,0|1,0,1]=4 4229 B11R0.3 CC/C=C\CCSCCCC#N 62a_100000687738_100015370543 [0,2,0,0,0,0|1,0,1]=4 4230 B11R0.3 CC/C=C\CCSCCCC#N 62a_100015370543_100000687738 [0,2,0,0,0,0|1,0,1]=4 4231 B11R0.3 CC/C=C\CCSCCCC=O 62a_100015370543_200011292268 [0,2,0,0,0,0|0,0,0]=2 4232 B11R0.3 CC/C=C\CCSCCCC=O 62a_200011292268_100015370543 [0,2,0,0,0,0|0,0,0]=2 4233 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [0,2,0,0,0,0|1,0,1]=4 4234 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [0,2,0,0,0,0|1,0,1]=4 4235 B11R0.3 CC/C=C\CCSCCCCF 62a_100000729493_100015370543 [0,2,0,0,0,0|1,0,1]=4 4236 B11R0.3 CC/C=C\CCSCCCCF 62a_100015370543_100000729493 [0,2,0,0,0,0|1,0,1]=4 4237 B11R0.3 CC/C=C\CCSCCCCO 62a_100000210776_100015370543 [0,2,0,0,0,0|0,0,2]=4 4238 B11R0.3 CC/C=C\CCSCCCCO 62a_100015370543_100000210776 [0,2,0,0,0,0|0,0,2]=4 4239 B11R0.3 CC/C=C\CCSCCCOC 62a_100000709357_100015370543 [0,2,0,0,0,0|0,0,2]=4 4240 B11R0.3 CC/C=C\CCSCCCOC 62a_100015370543_100000709357 [0,2,0,0,0,0|0,0,2]=4 4241 B11R0.3 CC/C=C\CCSCCOCC 62a_100000210147_100015370543 [0,2,0,0,0,0|1,0,1]=4 4242 B11R0.3 CC/C=C\CCSCCOCC 62a_100015370543_100011215890 [0,2,0,0,0,0|1,0,1]=4 4243 B11R0.3 CC/C=C\CCSCCSC#N 62a_100000034367_100015370543 [0,2,0,0,0,0|1,0,1]=4 4244 B11R0.3 CC/C=C\CCSCCSC#N 62a_100015370543_100000034367 [0,2,0,0,0,0|1,0,1]=4 4245 B11R0.3 CC/C=C\CCSCCSCC 62a_100000757381_100015370543 [0,2,0,0,0,0|1,0,1]=4 4246 B11R0.3 CC/C=C\CCSCCSCC 62a_100015370543_100000757381 [0,2,0,0,0,0|1,0,1]=4 4247 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [0,2,0,0,0,0|1,0,1]=4 4248 B11R0.3 CC/C=C\CNCCCCCO 2230a_100000762737_100103147603 [0,2,0,0,0,0|0,0,2]=4 4249 B11R0.3 CC/C=C\CNCCCCCO 34a_100000762737_100103147603 [0,2,0,0,0,0|0,0,2]=4 4250 B11R0.3 CC/C=C\CNCCCN=[N+]=[N-] 2230a_100000744732_100103147603 [0,2,0,0,0,0|2,0,0]=4 4251 B11R0.3 CC/C=C\CNCCCOCC 2230a_100000210961_100103147603 [0,2,0,0,0,0|1,0,1]=4 4252 B11R0.3 CC/C=C\CNCCCOCC 34a_100000210961_100103147603 [0,2,0,0,0,0|1,0,1]=4 4253 B11R0.3 CC/C=C\CNCCOCCC 2230a_100161115042_100103147603 [0,2,0,0,0,0|1,0,1]=4 4254 B11R0.3 CC/C=C\CNCCOCCC 34a_100161115042_100103147603 [0,2,0,0,0,0|1,0,1]=4 4255 B11R0.3 CC/C=C\CNCCOCCO 2230a_100000211614_100103147603 [0,2,0,0,0,0|0,0,2]=4 4256 B11R0.3 CC/C=C\CNCCOCCO 34a_100000211614_100103147603 [0,2,0,0,0,0|0,0,2]=4 4257 B11R0.3 CC/C=C\CNCCSCCC 2230a_100020603323_100103147603 [0,2,0,0,0,0|1,0,1]=4 4258 B11R0.3 CC/C=C\CNCCSCCO 2230a_100011219999_100103147603 [0,2,0,0,0,0|0,0,2]=4 4259 B11R0.3 CC/C=C\COCCCCCBr 34a_100000746331_100103147603 [0,2,0,0,0,0|1,0,1]=4 4260 B11R0.3 CC/C=C\COCCCCCBr 7a_100000746331_100103147603 [0,2,0,0,0,0|1,0,1]=4 4261 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [0,2,0,0,0,0|1,0,1]=4 4262 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [0,2,0,0,0,0|1,0,1]=4 4263 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [0,2,0,0,0,0|1,0,1]=4 4264 B11R0.3 CC/C=C\COCCCCCCl 34a_100000746330_100103147603 [0,2,0,0,0,0|1,0,1]=4 4265 B11R0.3 CC/C=C\COCCCCCCl 7a_100000746330_100103147603 [0,2,0,0,0,0|1,0,1]=4 4266 B11R0.3 CC/C=C\COCCCCCF 34a_100016268518_100000729378 [0,2,0,0,0,0|1,0,1]=4 4267 B11R0.3 CC/C=C\COCCCCCI 34a_200012148887_100103147603 [0,2,0,0,0,0|1,0,1]=4 4268 B11R0.3 CC/C=C\COCCCCCI 7a_200012148887_100103147603 [0,2,0,0,0,0|1,0,1]=4 4269 B11R0.3 CC/C=C\COCCCCCN 34a_100000762737_100103147603 [0,2,0,0,0,0|1,0,1]=4 4270 B11R0.3 CC/C=C\COCCCCCO 34a_100016268518_100000746330 [0,2,0,0,0,0|0,0,2]=4 4271 B11R0.3 CC/C=C\COCCCCOC 34a_100000740925_100103147603 [0,2,0,0,0,0|0,0,2]=4 4272 B11R0.3 CC/C=C\COCCCCOC 34a_100016268518_100000755781 [0,2,0,0,0,0|0,0,2]=4 4273 B11R0.3 CC/C=C\COCCCCSC 34a_100011217163_100103147603 [0,2,0,0,0,0|0,1,1]=4 4274 B11R0.3 CC/C=C\COCCCCSC 7a_100011217163_100103147603 [0,2,0,0,0,0|0,1,1]=4 4275 B11R0.3 CC/C=C\COCCCOCC 34a_100000757476_100103147603 [0,2,0,0,0,0|1,0,1]=4 4276 B11R0.3 CC/C=C\COCCCOCC 34a_100016268518_100012232248 [0,2,0,0,0,0|1,0,1]=4 4277 B11R0.3 CC/C=C\COCCCOCC 7a_100000757476_100103147603 [0,2,0,0,0,0|1,0,1]=4 4278 B11R0.3 CC/C=C\COCCCSCC 34a_100011216438_100103147603 [0,2,0,0,0,0|1,0,1]=4 4279 B11R0.3 CC/C=C\COCCCSCC 7a_100011216438_100103147603 [0,2,0,0,0,0|1,0,1]=4 4280 B11R0.3 CC/C=C\COCCOCCBr 34a_100000692535_100103147603 [0,2,0,0,0,0|1,0,1]=4 4281 B11R0.3 CC/C=C\COCCOCCBr 7a_100000692535_100103147603 [0,2,0,0,0,0|1,0,1]=4 4282 B11R0.3 CC/C=C\COCCOCCC 34a_100000752267_100103147603 [0,2,0,0,0,0|1,0,1]=4 4283 B11R0.3 CC/C=C\COCCOCCC 34a_100016268518_100011215938 [0,2,0,0,0,0|1,0,1]=4 4284 B11R0.3 CC/C=C\COCCOCCC 7a_100000752267_100103147603 [0,2,0,0,0,0|1,0,1]=4 4285 B11R0.3 CC/C=C\COCCOCCCl 34a_100011215305_100103147603 [0,2,0,0,0,0|1,0,1]=4 4286 B11R0.3 CC/C=C\COCCOCCCl 7a_100011215305_100103147603 [0,2,0,0,0,0|1,0,1]=4 4287 B11R0.3 CC/C=C\COCCOCCF 34a_200015357709_100103147603 [0,2,0,0,0,0|1,0,1]=4 4288 B11R0.3 CC/C=C\COCCOCCF 7a_200015357709_100103147603 [0,2,0,0,0,0|1,0,1]=4 4289 B11R0.3 CC/C=C\COCCOCCI 34a_100012149058_100103147603 [0,2,0,0,0,0|1,0,1]=4 4290 B11R0.3 CC/C=C\COCCOCCI 7a_100012149058_100103147603 [0,2,0,0,0,0|1,0,1]=4 4291 B11R0.3 CC/C=C\COCCOCCN 34a_100000211614_100103147603 [0,2,0,0,0,0|1,0,1]=4 4292 B11R0.3 CC/C=C\COCCOCCO 34a_100016268518_100000692535 [0,2,0,0,0,0|0,0,2]=4 4293 B11R0.3 CC/C=C\COCCSCCC 34a_200000230433_100103147603 [0,2,0,0,0,0|1,0,1]=4 4294 B11R0.3 CC/C=C\COCCSCCC 7a_200000230433_100103147603 [0,2,0,0,0,0|1,0,1]=4 4295 B11R0.3 CC/C=C\COCOCCCC 34a_100016268518_100011995733 [0,2,0,0,0,0|1,0,1]=4 4296 B11R0.3 CC/C=C\CSCCCCC#N 62a_100011219923_100103147603 [0,2,0,0,0,0|1,0,1]=4 4297 B11R0.3 CC/C=C\CSCCCCC#N 62a_100103147603_100000211819 [0,2,0,0,0,0|1,0,1]=4 4298 B11R0.3 CC/C=C\CSCCCCC=O 62a_100000139335_100103147603 [0,2,0,0,0,0|0,0,0]=2 4299 B11R0.3 CC/C=C\CSCCCCC=O 62a_100103147603_100000139335 [0,2,0,0,0,0|0,0,0]=2 4300 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [0,2,0,0,0,0|1,0,1]=4 4301 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [0,2,0,0,0,0|1,0,1]=4 4302 B11R0.3 CC/C=C\CSCCCCCF 62a_100000729378_100103147603 [0,2,0,0,0,0|1,0,1]=4 4303 B11R0.3 CC/C=C\CSCCCCCF 62a_100103147603_100000729378 [0,2,0,0,0,0|1,0,1]=4 4304 B11R0.3 CC/C=C\CSCCCCCO 62a_100000746330_100103147603 [0,2,0,0,0,0|0,0,2]=4 4305 B11R0.3 CC/C=C\CSCCCCCO 62a_100103147603_100000746330 [0,2,0,0,0,0|0,0,2]=4 4306 B11R0.3 CC/C=C\CSCCCCOC 62a_100000730899_100103147603 [0,2,0,0,0,0|0,0,2]=4 4307 B11R0.3 CC/C=C\CSCCCCOC 62a_100103147603_100000730899 [0,2,0,0,0,0|0,0,2]=4 4308 B11R0.3 CC/C=C\CSCCCOCC 62a_100012232248_100103147603 [0,2,0,0,0,0|1,0,1]=4 4309 B11R0.3 CC/C=C\CSCCCOCC 62a_100103147603_100012232248 [0,2,0,0,0,0|1,0,1]=4 4310 B11R0.3 CC/C=C\CSCCOCC#N 62a_100103147603_200000047693 [0,2,0,0,0,0|1,0,1]=4 4311 B11R0.3 CC/C=C\CSCCOCC#N 62a_200000047693_100103147603 [0,2,0,0,0,0|1,0,1]=4 4312 B11R0.3 CC/C=C\CSCCOCCC 62a_100011215938_100103147603 [0,2,0,0,0,0|1,0,1]=4 4313 B11R0.3 CC/C=C\CSCCOCCC 62a_100103147603_100011215938 [0,2,0,0,0,0|1,0,1]=4 4314 B11R0.3 CC/C=C\CSCCOCCO 62a_100011215305_100103147603 [0,2,0,0,0,0|0,0,2]=4 4315 B11R0.3 CC/C=C\CSCCOCCO 62a_100103147603_100011215305 [0,2,0,0,0,0|0,0,2]=4 4316 B11R0.3 CC/C=C\CSCOCCCC 62a_100011995733_100103147603 [0,2,0,0,0,0|1,0,1]=4 4317 B11R0.3 CC/C=C\CSCOCCCC 62a_100103147603_100011995733 [0,2,0,0,0,0|1,0,1]=4 4318 B11R0.3 CC/C=C\CSCOCCOC 62a_100000231047_100103147603 [0,2,0,0,0,0|2,0,0]=4 4319 B11R0.3 CC/C=C\CSCOCCOC 62a_100103147603_100000231047 [0,2,0,0,0,0|2,0,0]=4 4320 B11R0.3 CC=C=CCCOC/C=C\CC 34a_100011020354_100103147603 [0,2,0,0,0,0|1,0,1]=4 4321 B11R0.3 CC=CCCCOC/C=C\CC 34a_100020645299_100103147603 [0,2,0,0,0,0|1,0,0]=3 4322 B11R0.3 CC=CCOCCC/C=C/CC 34a_100016287902_100000070051 [0,2,0,0,0,0|1,0,0]=3 4323 B11R0.3 CC=CCOCCC/C=C/CC 7a_100016287902_100000070051 [0,2,0,0,0,0|1,0,0]=3 4324 B11R0.3 CC=CCSCCCCCC=O 62a_100000070051_100000139337 [0,2,0,0,0,0|0,0,2]=4 4325 B11R0.3 CC=CCSCCCCCC=O 62a_100000139337_100000070051 [0,2,0,0,0,0|0,0,2]=4 4326 B11R0.3 CCC#CCCOCCCC=O 7a_100000036655_200011292268 [0,2,0,0,0,0|0,0,2]=4 4327 B11R0.3 CCC#CCSCCCCC=O 62a_100000139335_100009813939 [0,2,0,0,0,0|0,0,2]=4 4328 B11R0.3 CCC#CCSCCCCC=O 62a_100009813939_100000139335 [0,2,0,0,0,0|0,0,2]=4 4329 B11R0.3 CCC/C=C/C=C/COCC=O 34a_100016294078_200009817547 [0,2,0,0,0,0|0,0,2]=4 4330 B11R0.3 CCC/C=C/COCCCC#N 7a_100016278788_100000687738 [0,2,0,0,0,0|1,0,1]=4 4331 B11R0.3 CCC/C=C/COCCCC=O 7a_100016278788_200011292268 [0,2,0,0,0,0|0,0,0]=2 4332 B11R0.3 CCC/C=C/COCCCCC 34a_100016278788_100000718602 [0,2,0,0,0,0|1,0,1]=4 4333 B11R0.3 CCC/C=C/COCCCCC 7a_100016278788_100000210326 [0,2,0,0,0,0|1,0,1]=4 4334 B11R0.3 CCC/C=C/COCCCCF 34a_100016278788_100000729493 [0,2,0,0,0,0|1,0,1]=4 4335 B11R0.3 CCC/C=C/COCCCCF 7a_100016278788_100000729493 [0,2,0,0,0,0|1,0,1]=4 4336 B11R0.3 CCC/C=C/COCCCCO 34a_100016278788_100011216708 [0,2,0,0,0,0|0,0,2]=4 4337 B11R0.3 CCC/C=C/COCCCCO 7a_100016278788_100000210776 [0,2,0,0,0,0|0,0,2]=4 4338 B11R0.3 CCC/C=C/COCCCOC 34a_100016278788_100000740836 [0,2,0,0,0,0|2,0,0]=4 4339 B11R0.3 CCC/C=C/COCCCOC 7a_100016278788_100000740836 [0,2,0,0,0,0|2,0,0]=4 4340 B11R0.3 CCCC#CCOCCCC=O 7a_100000034806_200011292268 [0,2,0,0,0,0|0,0,2]=4 4341 B11R0.3 CCCC/C=C/CCCCOC 34a_200020645093_200000210301 [0,2,0,0,0,0|2,0,0]=4 4342 B11R0.3 CCCC/C=C/CCCCOC 7a_200020645093_200000210301 [0,2,0,0,0,0|2,0,0]=4 4343 B11R0.3 CCCC/C=C/CCCCO[13CH3] 34a_200020645093_200025704644 [0,2,0,0,0,0|2,0,0]=4 4344 B11R0.3 CCCC/C=C/CCCCO[13CH3] 7a_200020645093_200025704644 [0,2,0,0,0,0|2,0,0]=4 4345 B11R0.3 CCCC/C=C\CCOCC=O 34a_200016286491_200009817547 [0,2,0,0,0,0|1,0,0]=3 4346 B11R0.3 CCCC/C=C\CCOCC=O 7a_200016286491_200015260668 [0,2,0,0,0,0|1,0,0]=3 4347 B11R0.3 CCCCCC/C=C/COCC 34a_200016276170_100000210202 [0,2,0,0,0,0|1,0,1]=4 4348 B11R0.3 CCCCCC/C=C/COCC 7a_200016276170_100000210202 [0,2,0,0,0,0|1,0,1]=4 4349 B11R0.3 CCCCCC/C=C/COCF 34a_200016276170_100015361967 [0,2,0,0,0,0|1,0,1]=4 4350 B11R0.3 CCCCCC/C=C/COCF 7a_200016276170_100015361967 [0,2,0,0,0,0|1,0,1]=4 4351 B11R0.3 CCCCCCCCNCC=O 2230a_100000229939_200015260668 [0,2,0,0,0,0|0,0,2]=4 4352 B11R0.3 CCCCCCCCNCC=O 34a_100000229939_200009817547 [0,2,0,0,0,0|0,0,2]=4 4353 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [0,2,0,0,0,0|0,0,2]=4 4354 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [0,2,0,0,0,0|0,0,2]=4 4355 B11R0.3 CCCCCCCCSCC=O 62a_100000210759_200015260668 [0,2,0,0,0,0|0,0,2]=4 4356 B11R0.3 CCCCCCCCSCC=O 62a_200015260668_100000210317 [0,2,0,0,0,0|0,0,2]=4 4357 B11R0.3 CCCCCCNCCCC=O 2230a_100000210581_200011292268 [0,2,0,0,0,0|0,0,2]=4 4358 B11R0.3 CCCCCCOCCCC=O 7a_100000210259_200011292268 [0,2,0,0,0,0|0,0,2]=4 4359 B11R0.3 CCCCCCSCCCC=O 62a_100000210314_200011292268 [0,2,0,0,0,0|0,0,2]=4 4360 B11R0.3 CCCCCCSCCCC=O 62a_200011292268_100000210757 [0,2,0,0,0,0|0,0,2]=4 4361 B11R0.3 CCCCCNCCCCC=O 2230a_100000209983_100000139335 [0,2,0,0,0,0|0,0,2]=4 4362 B11R0.3 CCCCCNCCOCC=O 34a_100000224656_200009817547 [0,2,0,0,0,0|0,0,2]=4 4363 B11R0.3 CCCCCOCCCCC=O 7a_100000210253_100000139335 [0,2,0,0,0,0|0,0,2]=4 4364 B11R0.3 CCCCCOCCOCC=O 34a_100011215259_200009817547 [0,2,0,0,0,0|0,0,2]=4 4365 B11R0.3 CCCCCOCCOCC=O 7a_100011215259_200015260668 [0,2,0,0,0,0|0,0,2]=4 4366 B11R0.3 CCCCCSCCCCC=O 62a_100000139335_100000210326 [0,2,0,0,0,0|0,0,2]=4 4367 B11R0.3 CCCCCSCCCCC=O 62a_100000210326_100000139335 [0,2,0,0,0,0|0,0,2]=4 4368 B11R0.3 CCCCNCCCCCC=O 2230a_100000102301_100000139337 [0,2,0,0,0,0|0,0,2]=4 4369 B11R0.3 CCCCNCCCCCC=O 7a_106832991798_100000139337 [0,2,0,0,0,0|0,0,2]=4 4370 B11R0.3 CCCCOCCCCCC=O 7a_100000210227_100000139337 [0,2,0,0,0,0|0,0,2]=4 4371 B11R0.3 CCCCOCCCNCC=O 2230a_200000211371_200015260668 [0,2,0,0,0,0|0,0,2]=4 4372 B11R0.3 CCCCOCCCNCC=O 34a_200000211371_200009817547 [0,2,0,0,0,0|0,0,2]=4 4373 B11R0.3 CCCCOCCCOCC=O 34a_200011215613_200009817547 [0,2,0,0,0,0|0,0,2]=4 4374 B11R0.3 CCCCOCCCOCC=O 7a_200011215613_200015260668 [0,2,0,0,0,0|0,0,2]=4 4375 B11R0.3 CCCCOCSCCCC=O 62a_100011995733_200011292268 [0,2,0,0,0,0|0,0,2]=4 4376 B11R0.3 CCCCOCSCCCC=O 62a_200011292268_100011995733 [0,2,0,0,0,0|0,0,2]=4 4377 B11R0.3 CCCCSCCCCCC=O 62a_100000139337_100000210210 [0,2,0,0,0,0|0,0,2]=4 4378 B11R0.3 CCCCSCCCCCC=O 62a_100000210211_100000139337 [0,2,0,0,0,0|0,0,2]=4 4379 B11R0.3 CCCOCCNCCCC=O 2230a_100161115042_200011292268 [0,2,0,0,0,0|0,0,2]=4 4380 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [0,2,0,0,0,0|0,0,2]=4 4381 B11R0.3 CCCOCCSCCCC=O 62a_100011215938_200011292268 [0,2,0,0,0,0|0,0,2]=4 4382 B11R0.3 CCCOCCSCCCC=O 62a_200011292268_100011215938 [0,2,0,0,0,0|0,0,2]=4 4383 B11R0.3 CCCSCCNCCCC=O 2230a_100020603323_200011292268 [0,2,0,0,0,0|0,0,2]=4 4384 B11R0.3 CCCSCCOCCCC=O 7a_200000230433_200011292268 [0,2,0,0,0,0|0,0,2]=4 4385 B11R0.3 CCOCCCNCCCC=O 2230a_100000210961_200011292268 [0,2,0,0,0,0|0,0,2]=4 4386 B11R0.3 CCOCCCOCCCC=O 7a_100000757476_200011292268 [0,2,0,0,0,0|0,0,2]=4 4387 B11R0.3 CCOCCCSCCCC=O 62a_100012232248_200011292268 [0,2,0,0,0,0|0,0,2]=4 4388 B11R0.3 CCOCCCSCCCC=O 62a_200011292268_100012232248 [0,2,0,0,0,0|0,0,2]=4 4389 B11R0.3 CCOCCNCCCCC=O 2230a_102516460346_100000139335 [0,2,0,0,0,0|0,0,2]=4 4390 B11R0.3 CCOCCOCCCCC=O 7a_100000210136_100000139335 [0,2,0,0,0,0|0,0,2]=4 4391 B11R0.3 CCOCCOCCNCC=O 2230a_100102712874_200015260668 [0,2,0,0,0,0|1,0,1]=4 4392 B11R0.3 CCOCCOCCNCC=O 34a_100102712874_200009817547 [0,2,0,0,0,0|1,0,1]=4 4393 B11R0.3 CCOCCOCCOCC=O 34a_100000210240_200009817547 [0,2,0,0,0,0|1,0,1]=4 4394 B11R0.3 CCOCCOCCOCC=O 7a_100000210240_200015260668 [0,2,0,0,0,0|1,0,1]=4 4395 B11R0.3 CCOCCOCCSCC=O 62a_100011211534_200015260668 [0,2,0,0,0,0|1,0,1]=4 4396 B11R0.3 CCOCCOCCSCC=O 62a_200015260668_100011211534 [0,2,0,0,0,0|1,0,1]=4 4397 B11R0.3 CCOCCSCCCCC=O 62a_100000139335_100011215890 [0,2,0,0,0,0|0,0,2]=4 4398 B11R0.3 CCOCCSCCCCC=O 62a_100000210147_100000139335 [0,2,0,0,0,0|0,0,2]=4 4399 B11R0.3 CCOCSCCCCCC=O 62a_100000139337_100000739092 [0,2,0,0,0,0|0,0,2]=4 4400 B11R0.3 CCOCSCCCCCC=O 62a_100000739092_100000139337 [0,2,0,0,0,0|0,0,2]=4 4401 B11R0.3 CCSCCCOCCCC=O 7a_100011216438_200011292268 [0,2,0,0,0,0|0,0,2]=4 4402 B11R0.3 CCSCCNCCCCC=O 2230a_100000106463_100000139335 [0,2,0,0,0,0|0,0,2]=4 4403 B11R0.3 CCSCCOCCCCC=O 7a_100000212035_100000139335 [0,2,0,0,0,0|0,0,2]=4 4404 B11R0.3 CCSCCSCCCCC=O 62a_100000139335_100000757381 [0,2,0,0,0,0|0,0,2]=4 4405 B11R0.3 CCSCCSCCCCC=O 62a_100000757381_100000139335 [0,2,0,0,0,0|0,0,2]=4 4406 B11R0.3 COCCCCCCOCC=O 34a_200012092642_200009817547 [0,2,0,0,0,0|0,0,2]=4 4407 B11R0.3 COCCCCCCOCC=O 7a_200012092642_200015260668 [0,2,0,0,0,0|0,0,2]=4 4408 B11R0.3 COCCCCCCSCC=O 62a_100011998445_200015260668 [0,2,0,0,0,0|0,0,2]=4 4409 B11R0.3 COCCCCCCSCC=O 62a_200015260668_100011998445 [0,2,0,0,0,0|0,0,2]=4 4410 B11R0.3 COCCCCSCCCC=O 62a_100000730899_200011292268 [0,2,0,0,0,0|0,0,2]=4 4411 B11R0.3 COCCCCSCCCC=O 62a_200011292268_100000730899 [0,2,0,0,0,0|0,0,2]=4 4412 B11R0.3 COCCCSCCCCC=O 62a_100000139335_100000709357 [0,2,0,0,0,0|0,0,2]=4 4413 B11R0.3 COCCCSCCCCC=O 62a_100000709357_100000139335 [0,2,0,0,0,0|0,0,2]=4 4414 B11R0.3 COCCNCCCCCC=O 2230a_100000209980_100000139337 [0,2,0,0,0,0|0,0,2]=4 4415 B11R0.3 COCCOCCCNCC=O 2230a_100000206027_200015260668 [0,2,0,0,0,0|1,0,1]=4 4416 B11R0.3 COCCOCCCNCC=O 34a_100000206027_200009817547 [0,2,0,0,0,0|1,0,1]=4 4417 B11R0.3 COCCOCCCSCC=O 62a_100011216529_200015260668 [0,2,0,0,0,0|1,0,1]=4 4418 B11R0.3 COCCOCCCSCC=O 62a_200015260668_100011216529 [0,2,0,0,0,0|1,0,1]=4 4419 B11R0.3 COCCOCSCCCC=O 62a_100000231047_200011292268 [0,2,0,0,0,0|1,0,1]=4 4420 B11R0.3 COCCOCSCCCC=O 62a_200011292268_100000231047 [0,2,0,0,0,0|1,0,1]=4 4421 B11R0.3 COCCSCCCCCC=O 62a_100000139337_100000233755 [0,2,0,0,0,0|0,0,2]=4 4422 B11R0.3 COCCSCCCCCC=O 62a_100000233755_100000139337 [0,2,0,0,0,0|0,0,2]=4 4423 B11R0.3 CSCCCCOCCCC=O 7a_100011217163_200011292268 [0,2,0,0,0,0|0,0,2]=4 4424 B11R0.3 CSCCCNCCCCC=O 2230a_100000749238_100000139335 [0,2,0,0,0,0|0,0,2]=4 4425 B11R0.3 CSCCCOCCCCC=O 7a_100000690336_100000139335 [0,2,0,0,0,0|0,0,2]=4 4426 B11R0.3 CSCCNCCCCCC=O 2230a_100020590264_100000139337 [0,2,0,0,0,0|0,0,2]=4 4427 B11R0.3 CSCCOCCCCCC=O 7a_100000230434_100000139337 [0,2,0,0,0,0|0,0,2]=4 4428 B11R0.3 CSCCSCCCCCC=O 62a_100000139337_100000751147 [0,2,0,0,0,0|0,0,2]=4 4429 B11R0.3 CSCCSCCCCCC=O 62a_100000212216_100000139337 [0,2,0,0,0,0|0,0,2]=4 4430 B11R0.3 N#CCCCSCCCCC=O 62a_100000139335_100000687738 [0,2,0,0,0,0|1,0,1]=4 4431 B11R0.3 N#CCCCSCCCCC=O 62a_100000687738_100000139335 [0,2,0,0,0,0|1,0,1]=4 4432 B11R0.3 N#CCCSCCCCCC=O 62a_100000139337_100011215226 [0,2,0,0,0,0|1,0,1]=4 4433 B11R0.3 N#CCCSCCCCCC=O 62a_100011215226_100000139337 [0,2,0,0,0,0|1,0,1]=4 4434 B11R0.3 NCCCCCCCOCC=O 34a_100011996573_200009817547 [0,2,0,0,0,0|0,0,2]=4 4435 B11R0.3 NCCCOCCCOCC=O 34a_100011310245_200009817547 [0,2,0,0,0,0|1,0,1]=4 4436 B11R0.3 O=CCCCCCNCCCF 2230a_100015189416_100000139337 [0,2,0,0,0,0|0,0,2]=4 4437 B11R0.3 O=CCCCCCSCCCF 62a_100000139337_100011934791 [0,2,0,0,0,0|0,0,2]=4 4438 B11R0.3 O=CCCCCCSCCCF 62a_100011934791_100000139337 [0,2,0,0,0,0|0,0,2]=4 4439 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [0,2,0,0,0,0|0,0,2]=4 4440 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [0,2,0,0,0,0|0,0,2]=4 4441 B11R0.3 O=CCCCCNCCCCO 2230a_100000750430_100000139335 [0,2,0,0,0,0|0,0,2]=4 4442 B11R0.3 O=CCCCCOCCCCCl 7a_100000210776_100000139335 [0,2,0,0,0,0|0,0,2]=4 4443 B11R0.3 O=CCCCCOCCCCF 7a_100011995726_100000139335 [0,2,0,0,0,0|0,0,2]=4 4444 B11R0.3 O=CCCCCSCCCC=O 62a_100000139335_200011292268 [0,2,0,0,0,0|1,0,1]=4 4445 B11R0.3 O=CCCCCSCCCC=O 62a_200011292268_100000139335 [0,2,0,0,0,0|1,0,1]=4 4446 B11R0.3 O=CCCCCSCCCCF 62a_100000139335_100000729493 [0,2,0,0,0,0|0,0,2]=4 4447 B11R0.3 O=CCCCCSCCCCF 62a_100000729493_100000139335 [0,2,0,0,0,0|0,0,2]=4 4448 B11R0.3 O=CCCCCSCCCCO 62a_100000139335_100000210776 [0,2,0,0,0,0|0,0,2]=4 4449 B11R0.3 O=CCCCCSCCCCO 62a_100000210776_100000139335 [0,2,0,0,0,0|0,0,2]=4 4450 B11R0.3 O=CCCCNCCCCCO 2230a_100000762737_200011292268 [0,2,0,0,0,0|0,0,2]=4 4451 B11R0.3 O=CCCCNCCOCCO 2230a_100000211614_200011292268 [0,2,0,0,0,0|1,0,1]=4 4452 B11R0.3 O=CCCCNCCSCCO 2230a_100011219999_200011292268 [0,2,0,0,0,0|1,0,1]=4 4453 B11R0.3 O=CCCCOCCCCCBr 7a_100000746331_200011292268 [0,2,0,0,0,0|0,0,2]=4 4454 B11R0.3 O=CCCCOCCCCCCl 7a_100000746330_200011292268 [0,2,0,0,0,0|0,0,2]=4 4455 B11R0.3 O=CCCCOCCCCCI 7a_200012148887_200011292268 [0,2,0,0,0,0|0,0,2]=4 4456 B11R0.3 O=CCCCOCCOCCBr 7a_100000692535_200011292268 [0,2,0,0,0,0|1,0,1]=4 4457 B11R0.3 O=CCCCOCCOCCCl 7a_100011215305_200011292268 [0,2,0,0,0,0|1,0,1]=4 4458 B11R0.3 O=CCCCOCCOCCF 7a_200015357709_200011292268 [0,2,0,0,0,0|1,0,1]=4 4459 B11R0.3 O=CCCCOCCOCCI 7a_100012149058_200011292268 [0,2,0,0,0,0|1,0,1]=4 4460 B11R0.3 O=CCCCSCCCCCF 62a_100000729378_200011292268 [0,2,0,0,0,0|0,0,2]=4 4461 B11R0.3 O=CCCCSCCCCCF 62a_200011292268_100000729378 [0,2,0,0,0,0|0,0,2]=4 4462 B11R0.3 O=CCCCSCCCCCO 62a_100000746330_200011292268 [0,2,0,0,0,0|0,0,2]=4 4463 B11R0.3 O=CCCCSCCCCCO 62a_200011292268_100000746330 [0,2,0,0,0,0|0,0,2]=4 4464 B11R0.3 O=CCCCSCCOCCO 62a_100011215305_200011292268 [0,2,0,0,0,0|1,0,1]=4 4465 B11R0.3 O=CCCCSCCOCCO 62a_200011292268_100011215305 [0,2,0,0,0,0|1,0,1]=4 4466 B11R0.3 O=CCNCCCCCCCO 2230a_100011996573_200015260668 [0,2,0,0,0,0|0,0,2]=4 4467 B11R0.3 O=CCNCCCCCCCO 34a_100011996573_200009817547 [0,2,0,0,0,0|0,0,2]=4 4468 B11R0.3 O=CCNCCCOCCCO 2230a_100011310245_200015260668 [0,2,0,0,0,0|1,0,1]=4 4469 B11R0.3 O=CCNCCCOCCCO 34a_100011310245_200009817547 [0,2,0,0,0,0|1,0,1]=4 4470 B11R0.3 O=CCOCCCCCCCBr 34a_100000760002_200009817547 [0,2,0,0,0,0|0,0,2]=4 4471 B11R0.3 O=CCOCCCCCCCBr 7a_100000760002_200015260668 [0,2,0,0,0,0|0,0,2]=4 4472 B11R0.3 O=CCSCCCCCCCO 62a_100000760002_200015260668 [0,2,0,0,0,0|0,0,2]=4 4473 B11R0.3 O=CCSCCCCCCCO 62a_200015260668_100000760002 [0,2,0,0,0,0|0,0,2]=4 4474 B11R0.140 C#CCCCC(=O)C/C=C/CC 1458a_100016274230_100000731252 [0,2,0,0,0,0|1,0,1]=4 4475 B11R0.140 C#CCCCC(=O)C/C=C\CC 1458a_100000690238_100103147603 [0,2,0,0,0,0|1,0,1]=4 4476 B11R0.140 C=CCCCC(=O)C/C=C/CC 1458a_100016274230_100000757094 [0,2,0,0,0,0|1,0,0]=3 4477 B11R0.140 C=CCCCC(=O)C/C=C\CC 1458a_100000766728_100103147603 [0,2,0,0,0,0|1,0,0]=3 4478 B11R0.140 C=CCCCC(=O)C=CCCC 1458a_100000212230_100000757094 [0,2,0,0,0,0|1,0,1]=4 4479 B11R0.140 C=CCCCC(=O)C=CCOC 1458a_100016285016_100000757094 [0,2,0,0,0,0|1,0,1]=4 4480 B11R0.140 C=CCCCC(=O)C=COCC 1458a_100016266692_100000757094 [0,2,0,0,0,0|1,0,1]=4 4481 B11R0.140 C=CCCNC(=O)C/C=C/CC 11a_100015191253_100016274230 [0,2,0,0,0,0|1,0,1]=4 4482 B11R0.140 C=CCCNC(=O)C/C=C/CC 1626a_100015191253_100016274230 [0,2,0,0,0,0|1,0,1]=4 4483 B11R0.140 C=CCCNC(=O)C/C=C/CC 240690a_100015191253_100016274230 [0,2,0,0,0,0|1,0,1]=4 4484 B11R0.140 C=CCCNC(=O)C/C=C/CC 527a_100015191253_100016274230 [0,2,0,0,0,0|1,0,1]=4 4485 B11R0.140 C=CCSCC(=O)C/C=C\CC 1458a_100000230395_100103147603 [0,2,0,0,0,0|1,0,1]=4 4486 B11R0.140 C=COCCC(=O)C/C=C/CC 1458a_100016274230_100000039644 [0,2,0,0,0,0|1,0,1]=4 4487 B11R0.140 CC/C=C/CC(=O)CCCC#N 1458a_100016274230_100000211468 [0,2,0,0,0,0|1,0,1]=4 4488 B11R0.140 CC/C=C/CC(=O)CCCCC 1458a_100016274230_100000210326 [0,2,0,0,0,0|1,0,1]=4 4489 B11R0.140 CC/C=C/CC(=O)CCCCF 1458a_100016274230_100000729493 [0,2,0,0,0,0|1,0,1]=4 4490 B11R0.140 CC/C=C/CC(=O)CCCCO 1458a_100016274230_100000210776 [0,2,0,0,0,0|0,0,2]=4 4491 B11R0.140 CC/C=C/CC(=O)CCCOC 1458a_100016274230_100000740836 [0,2,0,0,0,0|2,0,0]=4 4492 B11R0.140 CC/C=C\CC(=O)CCCC#N 1458a_100000075515_100103147603 [0,2,0,0,0,0|1,0,1]=4 4493 B11R0.140 CC/C=C\CC(=O)CCCCC 1458a_100000212188_100103147603 [0,2,0,0,0,0|1,0,1]=4 4494 B11R0.140 CC/C=C\CC(=O)CCCCO 1458a_100000695505_100103147603 [0,2,0,0,0,0|0,0,2]=4 4495 B11R0.140 CC/C=C\CC(=O)CCCOC 1458a_100000741012_100103147603 [0,2,0,0,0,0|2,0,0]=4 4496 B11R0.140 CC/C=C\CC(=O)CCCSC 1458a_100000173376_100103147603 [0,2,0,0,0,0|2,0,0]=4 4497 B11R0.140 CC/C=C\CN(C)CCCCC 2230a_100000223495_100103147603 [0,2,0,0,0,0|1,0,1]=4 4498 B11R0.140 CC/C=C\CN(C)CCCCC 269982a_100000223495_100103147603 [0,2,0,0,0,0|1,0,1]=4 4499 B11R0.140 CC/C=C\CN(C)CCCCO 2230a_100000717598_100103147603 [0,2,0,0,0,0|0,0,2]=4 4500 B11R0.140 CC/C=C\CN(C)CCCCO 269982a_100000717598_100103147603 [0,2,0,0,0,0|0,0,2]=4 4501 B11R0.140 CC/C=C\CN(C)CCCOC 2230a_100000224831_100103147603 [0,2,0,0,0,0|2,0,0]=4 4502 B11R0.140 CC/C=C\CN(C)CCCOC 269982a_100000224831_100103147603 [0,2,0,0,0,0|2,0,0]=4 4503 B11R0.140 CCCCCN(C)CCCC=O 2230a_100000223495_200011292268 [0,2,0,0,0,0|0,0,2]=4 4504 B11R0.140 CCCCCN(C)CCCC=O 269982a_100000223495_200011292268 [0,2,0,0,0,0|0,0,2]=4 4505 B11R0.49 C=CC(C)(C)OCC/C=C\CC 34a_100011215311_100015370543 [0,2,0,0,0,0|2,0,0]=4 4506 B11R0.49 C=CC(C)(C)OCC/C=C\CC 7a_100011215311_100015370543 [0,2,0,0,0,0|2,0,0]=4 4507 B11R0.49 C=CC(F)(F)SCC/C=C\CC 62a_100009814244_100015370543 [0,2,0,0,0,0|2,0,0]=4 4508 B11R0.49 C=CC(F)(F)SCC/C=C\CC 62a_100015370543_100009814244 [0,2,0,0,0,0|2,0,0]=4 4509 B11R0.49 CCC(C)(C)NCCCCC=O 2230a_100000211385_100000139335 [0,2,0,0,0,0|1,0,1]=4 4510 B11R0.49 CCC(C)(C)OCCCCC=O 7a_100000210230_100000139335 [0,2,0,0,0,0|1,0,1]=4 4511 B11R0.49 CCC(C)(C)SCCCCC=O 62a_100000032637_100000139335 [0,2,0,0,0,0|1,0,1]=4 4512 B11R0.49 CCC(C)(C)SCCCCC=O 62a_100000139335_100000032637 [0,2,0,0,0,0|1,0,1]=4 4513 B11R0.124 C#CC(CC)OCCCCC=O 7a_100000758843_100000139335 [0,2,0,0,0,0|1,0,1]=4 4514 B11R0.124 C=CC(C=C)OCC/C=C\CC 34a_100000033096_100015370543 [0,2,0,0,0,0|2,0,0]=4 4515 B11R0.124 C=CC(CC)OCC/C=C\CC 34a_100000766422_100015370543 [0,2,0,0,0,0|2,0,0]=4 4516 B11R0.124 C=CC(CC)OCC/C=C\CC 7a_100000766422_100015370543 [0,2,0,0,0,0|2,0,0]=4 4517 B11R0.124 C=CC(CC)OCCCCC=O 7a_100000766422_100000139335 [0,2,0,0,0,0|1,0,1]=4 4518 B11R0.124 C=C[C@@H](CO)NCC/C=C\CC 2230a_100016989147_100015370543 [0,2,0,0,0,0|2,0,0]=4 4519 B11R0.124 C=C[C@@H](CO)NCC/C=C\CC 34a_100016989147_100015370543 [0,2,0,0,0,0|2,0,0]=4 4520 B11R0.124 CC/C=C\CCOC(C=O)C=O 34a_100016288707_100000736813 [0,2,0,0,0,0|1,0,0]=3 4521 B11R0.124 CC/C=C\CCSC(C=O)C=O 62a_100000736813_100015370543 [0,2,0,0,0,0|1,0,0]=3 4522 B11R0.124 CC/C=C\CCSC(C=O)C=O 62a_100015370543_100000736813 [0,2,0,0,0,0|1,0,0]=3 4523 B11R0.124 CCC(CC)NCCCCC=O 2230a_100000199018_100000139335 [0,2,0,0,0,0|1,0,1]=4 4524 B11R0.124 CCC(CC)OCCCCC=O 7a_100000688536_100000139335 [0,2,0,0,0,0|1,0,1]=4 4525 B11R0.124 CCC(CC)SCCCCC=O 62a_100000139335_100000210505 [0,2,0,0,0,0|1,0,1]=4 4526 B11R0.124 CCC(CC)SCCCCC=O 62a_100000210505_100000139335 [0,2,0,0,0,0|1,0,1]=4 4527 B11R0.124 CCN(CC)CCCCCC=O 2230a_100000724800_100000139337 [0,2,0,0,0,0|1,0,1]=4 4528 B11R0.124 CCN(CC)CCCCCC=O 269956a_100000042499_100000139337 [0,2,0,0,0,0|1,0,1]=4 4529 B11R0.124 CCN(CC)CCCCCC=O 269982a_100000724800_100000139337 [0,2,0,0,0,0|1,0,1]=4 4530 B11R0.124 CC[C@@H](CO)NCCCCC=O 2230a_100000709445_100000139335 [0,2,0,0,0,0|1,0,1]=4 4531 B11R0.154 C=CC(C)CC(=O)C/C=C\CC 1458a_100011934298_100103147603 [0,2,0,0,0,0|1,0,1]=4 4532 B11R0.154 C=CCCCC(=O)C=C(C)CC 1458a_100020758463_100000757094 [0,2,0,0,0,0|1,0,1]=4 4533 B9R1.8 C=CCN1CC=CCC1 2230a_100000698166_100000210623 [1,0,0,1,0,0|1,0,1]=4 4534 B9R1.8 C=CCN1CC=CCC1 269982a_100000698166_100000210623 [1,0,0,1,0,0|1,0,1]=4 4535 B9R1.8 C=CCN1CC=CCC1 34a_100000698166_100015514636 [1,0,0,1,0,0|1,0,1]=4 4536 B9R1.8 CCCN1CC=CCC1 2230a_100000698166_100000210303 [1,0,0,1,0,0|1,0,1]=4 4537 B9R1.8 CCCN1CC=CCC1 269982a_100000698166_100000210303 [1,0,0,1,0,0|1,0,1]=4 4538 B9R1.8 CCCN1CC=CCC1 34a_100000698166_100000210303 [1,0,0,1,0,0|1,0,1]=4 4539 B9R1.8 CCNC1C=CCCC1 2230a_100015525214_100000751183 [1,0,0,1,0,0|2,0,0]=4 4540 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [1,0,0,1,0,0|2,0,0]=4 4541 B9R1.8 CCOC1CC=CCC1 34a_100000073881_100000210202 [1,0,0,1,0,0|1,0,1]=4 4542 B9R1.8 CCSC1C=CCCC1 62a_100000210202_100000751183 [1,0,0,1,0,0|2,0,0]=4 4543 B9R1.8 CCSC1C=CCCC1 62a_100000751183_100000210202 [1,0,0,1,0,0|2,0,0]=4 4544 B9R1.8 CNCC1CC=CCC1 270004a_106832991635_100000189434 [1,0,0,1,0,0|1,0,1]=4 4545 B9R1.8 COCC1CC=CCC1 34a_100000210713_200000210301 [1,0,0,1,0,0|1,0,1]=4 4546 B9R1.8 FCCN1CC=CCC1 2230a_100000698166_100011217306 [1,0,0,1,0,0|2,0,0]=4 4547 B9R1.8 FCCN1CC=CCC1 269982a_100000698166_100011217306 [1,0,0,1,0,0|2,0,0]=4 4548 B9R1.8 FCCN1CC=CCC1 34a_100000698166_100011217306 [1,0,0,1,0,0|2,0,0]=4 4549 B9R1.8 FCOC1CC=CCC1 34a_100000073881_100015361967 [1,0,0,1,0,0|2,0,0]=4 4550 B9R1.8 O=CCN1CC=CCC1 2230a_100000698166_200015260668 [1,0,0,1,0,0|1,0,0]=3 4551 B9R1.8 O=CCN1CC=CCC1 269982a_100000698166_200015260668 [1,0,0,1,0,0|1,0,0]=3 4552 B9R1.8 O=CCN1CC=CCC1 34a_100000698166_200009817547 [1,0,0,1,0,0|1,0,0]=3 4553 B9R1.8 O=CCN1CCOCC1 2230a_100015191051_200015260668 [1,0,0,1,0,0|2,0,0]=4 4554 B9R1.8 O=CCN1CCOCC1 269982a_100015191051_200015260668 [1,0,0,1,0,0|2,0,0]=4 4555 B9R1.8 O=CCN1CCOCC1 34a_100015191051_200009817547 [1,0,0,1,0,0|2,0,0]=4 4556 B9R1.8 O=CCN1CCSCC1 2230a_100000737611_200015260668 [1,0,0,1,0,0|2,0,0]=4 4557 B9R1.8 O=CCN1CCSCC1 269982a_100000737611_200015260668 [1,0,0,1,0,0|2,0,0]=4 4558 B9R1.8 OCCN1CC=CCC1 2230a_100000698166_100000211926 [1,0,0,1,0,0|1,0,1]=4 4559 B9R1.8 OCCN1CC=CCC1 269982a_100000698166_100000211926 [1,0,0,1,0,0|1,0,1]=4 4560 B9R1.8 OCCN1CC=CCC1 34a_100000698166_100000211926 [1,0,0,1,0,0|1,0,1]=4 4561 B9R1.8 [13CH3]OCC1CC=CCC1 34a_100000210713_200025704644 [1,0,0,1,0,0|1,0,1]=4 4562 B9R1.12 C=CCCN1CC=CC1 269982a_100015195280_100000754431 [1,0,0,1,0,0|2,0,0]=4 4563 B9R1.12 C=CCNC1CC=CC1 2230a_100015188752_100000210623 [1,0,0,1,0,0|2,0,0]=4 4564 B9R1.12 O=CCNC1CC=CC1 2230a_100015188752_200015260668 [1,0,0,1,0,0|1,0,0]=3 4565 B9R1.12 O=CCNC1CCCC1 2230a_100000211070_200015260668 [1,0,0,1,0,0|1,0,1]=4 4566 B9R1.12 O=CCNC1CCCC1 34a_100000211070_200009817547 [1,0,0,1,0,0|1,0,1]=4 4567 B9R1.12 O=CCN[C@@H]1CCOC1 2230a_200015188469_200015260668 [1,0,0,1,0,0|2,0,0]=4 4568 B9R1.12 O=CCN[C@H]1CCOC1 2230a_100015188467_200015260668 [1,0,0,1,0,0|2,0,0]=4 4569 B9R1.12 O=CCN[C@H]1CCOC1 34a_100015188467_200009817547 [1,0,0,1,0,0|2,0,0]=4 4570 B9R1.12 O=CCOC1CCCC1 34a_100000210269_200009817547 [1,0,0,1,0,0|1,0,1]=4 4571 B9R1.12 O=CCOC1CCCC1 7a_100000210269_200015260668 [1,0,0,1,0,0|1,0,1]=4 4572 B9R1.12 O=CCOC1CCSC1 7a_100011232664_200015260668 [1,0,0,1,0,0|2,0,0]=4 4573 B9R1.12 O=CCO[C@H]1CCOC1 34a_100000717292_200009817547 [1,0,0,1,0,0|2,0,0]=4 4574 B9R1.12 O=CCSC1CCCC1 62a_100011217020_200015260668 [1,0,0,1,0,0|1,0,1]=4 4575 B9R1.12 O=CCSC1CCCC1 62a_200015260668_100000179811 [1,0,0,1,0,0|1,0,1]=4 4576 B9R1.12 O=CCSC1CCOC1 62a_200015260668_100000690089 [1,0,0,1,0,0|2,0,0]=4 4577 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [1,0,0,1,0,0|1,0,1]=4 4578 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [1,0,0,1,0,0|1,0,1]=4 4579 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [1,0,0,1,0,0|1,0,1]=4 4580 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [1,0,0,1,0,0|1,0,1]=4 4581 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [1,0,0,1,0,0|1,0,1]=4 4582 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [1,0,0,1,0,0|1,0,1]=4 4583 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [1,0,0,1,0,0|1,0,1]=4 4584 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [1,0,0,1,0,0|1,0,1]=4 4585 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [1,0,0,1,0,0|1,0,1]=4 4586 B9R1.16 CC1CC1COCC=O 34a_100000744939_200009817547 [1,0,0,1,0,0|1,0,1]=4 4587 B9R1.16 CC1CC1COCC=O 7a_100000744939_200015260668 [1,0,0,1,0,0|1,0,1]=4 4588 B9R1.17 CC/C=C\CN1CCC1 269982a_100000754969_100103147603 [1,0,0,1,0,0|1,0,1]=4 4589 B9R1.17 O=CCCCN1CCC1 269982a_100000754969_200011292268 [1,0,0,1,0,0|1,0,1]=4 4590 B9R1.17 O=CCNCC1CCC1 2230a_100000738700_200015260668 [1,0,0,1,0,0|1,0,1]=4 4591 B9R1.17 O=CCNCC1CCC1 34a_100000738700_200009817547 [1,0,0,1,0,0|1,0,1]=4 4592 B9R1.17 O=CCNC[C@@H]1CCO1 2230a_100020831831_200015260668 [1,0,0,1,0,0|2,0,0]=4 4593 B9R1.17 O=CCNC[C@@H]1CCO1 34a_100020831831_200009817547 [1,0,0,1,0,0|2,0,0]=4 4594 B9R1.17 O=CCOCC1CCC1 34a_100000760304_200009817547 [1,0,0,1,0,0|1,0,1]=4 4595 B9R1.17 O=CCOCC1CCO1 34a_100000039022_200009817547 [1,0,0,1,0,0|2,0,0]=4 4596 B9R1.17 O=CCSCC1CCC1 62a_100000763275_200015260668 [1,0,0,1,0,0|1,0,1]=4 4597 B9R1.17 O=CCSCC1CCC1 62a_200015260668_100000763275 [1,0,0,1,0,0|1,0,1]=4 4598 B9R1.17 O=CCSCC1CCO1 62a_100000103362_200015260668 [1,0,0,1,0,0|2,0,0]=4 4599 B9R1.17 O=CCSCC1CCO1 62a_200015260668_100000103362 [1,0,0,1,0,0|2,0,0]=4 4600 B9R1.33 CC1SCCN1CC=O 2230a_200011216479_200015260668 [1,0,0,1,0,0|2,0,0]=4 4601 B9R1.33 CC1SCCN1CC=O 269982a_200011216479_200015260668 [1,0,0,1,0,0|2,0,0]=4 4602 B9R1.33 CC1SCCN1CC=O 34a_200011216479_200009817547 [1,0,0,1,0,0|2,0,0]=4 4603 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [1,0,0,1,0,0|1,0,0]=3 4604 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [1,0,0,1,0,0|2,0,0]=4 4605 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [1,0,0,1,0,0|2,0,0]=4 4606 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [1,0,0,1,0,0|2,0,0]=4 4607 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [1,0,0,1,0,0|1,0,0]=3 4608 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [1,0,0,1,0,0|1,0,0]=3 4609 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [1,0,0,1,0,0|2,0,0]=4 4610 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [1,0,0,1,0,0|2,0,0]=4 4611 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [1,0,0,1,0,0|1,0,0]=3 4612 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [1,0,0,1,0,0|1,0,0]=3 4613 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [1,0,0,1,0,0|2,0,0]=4 4614 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [1,0,0,1,0,0|2,0,0]=4 4615 B9R1.33 C[C@@H]1CCCN1CC=O 2230a_100015189458_200015260668 [1,0,0,1,0,0|1,0,1]=4 4616 B9R1.33 C[C@@H]1CCCN1CC=O 269982a_100015189458_200015260668 [1,0,0,1,0,0|1,0,1]=4 4617 B9R1.33 C[C@@H]1CCCN1CC=O 34a_100015189458_200009817547 [1,0,0,1,0,0|1,0,1]=4 4618 B9R1.33 C[C@H]1CCCN1CC=O 2230a_100020605311_200015260668 [1,0,0,1,0,0|1,0,1]=4 4619 B9R1.33 C[C@H]1CCCN1CC=O 269982a_100020605311_200015260668 [1,0,0,1,0,0|1,0,1]=4 4620 B9R1.33 O=C1CCCC1OCF 34a_200000719330_100015361967 [1,0,0,1,0,0|2,0,0]=4 4621 B9R1.33 O=C1CCCC1SCF 62a_100000211823_100015361967 [1,0,0,1,0,0|2,0,0]=4 4622 B9R1.33 O=C1CCCC1SCF 62a_100015361967_100000211823 [1,0,0,1,0,0|2,0,0]=4 4623 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [1,0,0,1,0,0|1,0,1]=4 4624 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [1,0,0,1,0,0|1,0,1]=4 4625 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [1,0,0,1,0,0|1,0,1]=4 4626 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [1,0,0,1,0,0|1,0,1]=4 4627 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [1,0,0,1,0,0|1,0,1]=4 4628 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [1,0,0,1,0,0|1,0,1]=4 4629 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [1,0,0,1,0,0|1,0,1]=4 4630 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [1,0,0,1,0,0|1,0,1]=4 4631 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [1,0,0,1,0,0|1,0,1]=4 4632 B9R1.83 CC/C=C\CNC1CC1 34a_100000212008_100103147603 [1,0,0,1,0,0|1,0,1]=4 4633 B9R1.83 CC/C=C\COC1CC1 34a_100016268518_100000211595 [1,0,0,1,0,0|1,0,1]=4 4634 B9R1.83 CC/C=C\CSC1CC1 62a_100103147603_100000211595 [1,0,0,1,0,0|1,0,1]=4 4635 B9R1.83 O=CCCCSC1CC1 62a_200011292268_100000211595 [1,0,0,1,0,0|1,0,1]=4 4636 B9R1.83 O=CCNCCC1CC1 34a_100000764129_200009817547 [1,0,0,1,0,0|1,0,1]=4 4637 B9R1.83 O=CCOCCC1CC1 34a_100000754188_200009817547 [1,0,0,1,0,0|1,0,1]=4 4638 B9R1.83 O=CCOCCC1CC1 7a_100000754188_200015260668 [1,0,0,1,0,0|1,0,1]=4 4639 B9R1.83 O=CCSCCC1CC1 62a_100000764125_200015260668 [1,0,0,1,0,0|1,0,1]=4 4640 B9R1.83 O=CCSCCC1CC1 62a_200015260668_100000764125 [1,0,0,1,0,0|1,0,1]=4 4641 B11R1.4 CC/C=C\CCN1CC=CC1 269982a_100015195280_100015370543 [0,1,0,1,0,0|1,0,1]=4 4642 B11R1.4 CC/C=C\CCN1CCCC1 2230a_100000188435_100015370543 [0,1,0,1,0,0|1,0,1]=4 4643 B11R1.4 CC/C=C\CCN1CCCC1 269982a_100000188435_100015370543 [0,1,0,1,0,0|1,0,1]=4 4644 B11R1.4 CC/C=C\CCN1CCSC1 2230a_100011215254_100015370543 [0,1,0,1,0,0|2,0,0]=4 4645 B11R1.4 CC/C=C\CCN1CCSC1 269982a_100011215254_100015370543 [0,1,0,1,0,0|2,0,0]=4 4646 B11R1.4 CC/C=C\CNC1CC=CC1 2230a_100015188752_100103147603 [0,1,0,1,0,0|1,0,1]=4 4647 B11R1.4 CC/C=C\CNC1CCCC1 2230a_100000211070_100103147603 [0,1,0,1,0,0|1,0,1]=4 4648 B11R1.4 CC/C=C\CNC1CCCC1 34a_100000211070_100103147603 [0,1,0,1,0,0|1,0,1]=4 4649 B11R1.4 CC/C=C\CN[C@@H]1CCOC1 2230a_200015188469_100103147603 [0,1,0,1,0,0|2,0,0]=4 4650 B11R1.4 CC/C=C\CN[C@H]1CCOC1 2230a_100015188467_100103147603 [0,1,0,1,0,0|2,0,0]=4 4651 B11R1.4 CC/C=C\CN[C@H]1CCOC1 34a_100015188467_100103147603 [0,1,0,1,0,0|2,0,0]=4 4652 B11R1.4 CC/C=C\COC1CCCC1 34a_100000210269_100103147603 [0,1,0,1,0,0|1,0,1]=4 4653 B11R1.4 CC/C=C\COC1CCCC1 34a_100016268518_100000179811 [0,1,0,1,0,0|1,0,1]=4 4654 B11R1.4 CC/C=C\COC1CCCC1 7a_100000210269_100103147603 [0,1,0,1,0,0|1,0,1]=4 4655 B11R1.4 CC/C=C\COC1CCCO1 34a_100000085407_100103147603 [0,1,0,1,0,0|0,0,2]=4 4656 B11R1.4 CC/C=C\COC1CCOC1 34a_100016268518_100000690089 [0,1,0,1,0,0|2,0,0]=4 4657 B11R1.4 CC/C=C\COC1CCSC1 7a_100011232664_100103147603 [0,1,0,1,0,0|2,0,0]=4 4658 B11R1.4 CC/C=C\CO[C@H]1CCOC1 34a_100000717292_100103147603 [0,1,0,1,0,0|2,0,0]=4 4659 B11R1.4 CC/C=C\CSC1CCCC1 62a_100011217020_100103147603 [0,1,0,1,0,0|1,0,1]=4 4660 B11R1.4 CC/C=C\CSC1CCCC1 62a_100103147603_100000179811 [0,1,0,1,0,0|1,0,1]=4 4661 B11R1.4 CC/C=C\CSC1CCOC1 62a_100103147603_100000690089 [0,1,0,1,0,0|2,0,0]=4 4662 B11R1.4 O=CCCCCN1CC=CC1 269982a_100015195280_100000139335 [0,1,0,1,0,0|0,0,2]=4 4663 B11R1.4 O=CCCCCN1CCCC1 2230a_100000188435_100000139335 [0,1,0,1,0,0|0,0,2]=4 4664 B11R1.4 O=CCCCCN1CCCC1 269982a_100000188435_100000139335 [0,1,0,1,0,0|0,0,2]=4 4665 B11R1.4 O=CCCCCN1CCSC1 2230a_100011215254_100000139335 [0,1,0,1,0,0|1,0,1]=4 4666 B11R1.4 O=CCCCCN1CCSC1 269982a_100011215254_100000139335 [0,1,0,1,0,0|1,0,1]=4 4667 B11R1.4 O=CCCCNC1CC=CC1 2230a_100015188752_200011292268 [0,1,0,1,0,0|0,0,2]=4 4668 B11R1.4 O=CCCCNC1CCCC1 2230a_100000211070_200011292268 [0,1,0,1,0,0|0,0,2]=4 4669 B11R1.4 O=CCCCN[C@@H]1CCOC1 2230a_200015188469_200011292268 [0,1,0,1,0,0|1,0,1]=4 4670 B11R1.4 O=CCCCN[C@H]1CCOC1 2230a_100015188467_200011292268 [0,1,0,1,0,0|1,0,1]=4 4671 B11R1.4 O=CCCCOC1CCCC1 7a_100000210269_200011292268 [0,1,0,1,0,0|0,0,2]=4 4672 B11R1.4 O=CCCCOC1CCSC1 7a_100011232664_200011292268 [0,1,0,1,0,0|1,0,1]=4 4673 B11R1.4 O=CCCCSC1CCCC1 62a_100011217020_200011292268 [0,1,0,1,0,0|0,0,2]=4 4674 B11R1.4 O=CCCCSC1CCCC1 62a_200011292268_100000179811 [0,1,0,1,0,0|0,0,2]=4 4675 B11R1.4 O=CCCCSC1CCOC1 62a_200011292268_100000690089 [0,1,0,1,0,0|1,0,1]=4 4676 B11R1.4 O=CCNCCC1CCCC1 2230a_100000739158_200015260668 [0,1,0,1,0,0|0,0,2]=4 4677 B11R1.4 O=CCNCCC1CCCC1 34a_100000739158_200009817547 [0,1,0,1,0,0|0,0,2]=4 4678 B11R1.4 O=CCOCCC1CCCC1 34a_100000749090_200009817547 [0,1,0,1,0,0|0,0,2]=4 4679 B11R1.4 O=CCOCCC1CCCC1 7a_100000749090_200015260668 [0,1,0,1,0,0|0,0,2]=4 4680 B11R1.4 O=CCOCCC1CCNC1 34a_100016987287_200009817547 [0,1,0,1,0,0|1,0,1]=4 4681 B11R1.4 O=CCOCCC1CCOC1 34a_100011879284_200009817547 [0,1,0,1,0,0|1,0,1]=4 4682 B11R1.4 O=CCSCCC1CCCC1 62a_100000760354_200015260668 [0,1,0,1,0,0|0,0,2]=4 4683 B11R1.4 O=CCSCCC1CCCC1 62a_200015260668_100000760354 [0,1,0,1,0,0|0,0,2]=4 4684 B11R1.16 C=CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210623 [0,1,0,1,0,0|1,0,1]=4 4685 B11R1.16 CC=CC(=O)C1C=CCCC1 1458a_100000210699_100000751183 [0,1,0,1,0,0|1,0,1]=4 4686 B11R1.16 CCCC(=O)C1C=CCCC1 1458a_100000211992_100000751183 [0,1,0,1,0,0|1,0,1]=4 4687 B11R1.24 C=CCCN1CCC=C(C1)C 2230a_100000725631_100000754431 [0,1,0,1,0,0|2,0,0]=4 4688 B11R1.24 C=CCCN1CCC=C(C1)C 269982a_100000725631_100000754431 [0,1,0,1,0,0|2,0,0]=4 4689 B11R1.24 C=CCCN1CCC=C(C1)C 34a_100000725631_100000754431 [0,1,0,1,0,0|2,0,0]=4 4690 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [0,1,0,1,0,0|1,0,1]=4 4691 B11R1.24 CCOCC1CCCC(=O)N1 34a_200000102386_100000210202 [0,1,0,1,0,0|1,0,1]=4 4692 B11R1.24 O=CCNC1CCNC(=O)C1 2230a_100016994916_200015260668 [0,1,0,1,0,0|2,0,0]=4 4693 B11R1.24 O=CCNC1CCNC(=O)C1 34a_100016994916_200009817547 [0,1,0,1,0,0|2,0,0]=4 4694 B11R1.24 O=CCOC1CCCC(=O)C1 34a_100012613340_200009817547 [0,1,0,1,0,0|1,0,1]=4 4695 B11R1.24 O=CCO[C@@H]1CCNC(=O)C1 34a_100015189427_200009817547 [0,1,0,1,0,0|2,0,0]=4 4696 B11R1.30 C=CCC(=O)CC1C=CCC1 1458a_100000212241_100000210623 [0,1,0,1,0,0|1,0,1]=4 4697 B11R1.30 CCCC(=O)CC1C=CCC1 1458a_100000212241_100000210303 [0,1,0,1,0,0|1,0,1]=4 4698 B11R1.30 CCNC(=O)CC1C=CCC1 11a_100015525214_100000212241 [0,1,0,1,0,0|2,0,0]=4 4699 B11R1.30 CCNC(=O)CC1C=CCC1 240690a_100015525214_100000212241 [0,1,0,1,0,0|2,0,0]=4 4700 B11R1.30 CCNC(=O)CC1C=CCC1 527a_100015525214_100000212241 [0,1,0,1,0,0|2,0,0]=4 4701 B11R1.78 C=C1CC(C1)NC/C=C\CC 2230a_100132301982_100103147603 [0,1,0,1,0,0|2,0,0]=4 4702 B11R1.78 CC/C=C\CSC1CC(=O)C1 62a_100009894365_100103147603 [0,1,0,1,0,0|1,0,0]=3 4703 B11R1.78 CC1CN(C1)CCCCC=O 2230a_100000702820_100000139335 [0,1,0,1,0,0|1,0,1]=4 4704 B11R1.78 CC1CN(C1)CCCCC=O 269982a_100000702820_100000139335 [0,1,0,1,0,0|1,0,1]=4 4705 B11R1.78 O=CCCCCN1CC(C1)F 2230a_100000690557_100000139335 [0,1,0,1,0,0|1,0,1]=4 4706 B11R1.78 O=CCCCCN1CC(C1)F 269982a_100000690557_100000139335 [0,1,0,1,0,0|1,0,1]=4 4707 B11R1.78 O=CCCCCN1CC(C1)O 269982a_100000749847_100000139335 [0,1,0,1,0,0|1,0,1]=4 4708 B11R1.81 CNCC1CCC(=CC1C)C 269862a_106832991636_100000075207 [0,1,0,1,0,0|2,0,0]=4 4709 B11R1.117 CCOC1CC/C=C\CCC1 34a_100016989180_100000210202 [0,1,0,1,0,0|1,0,1]=4 4710 B11R1.117 CCOC1CC/C=C\CCC1 34a_100121572206_100021000466 [0,1,0,1,0,0|1,0,1]=4 4711 B11R1.117 CCSC1CC/C=C\CCC1 62a_100000210202_100021000466 [0,1,0,1,0,0|1,0,1]=4 4712 B11R1.117 CCSC1CC/C=C\CCC1 62a_100021000466_100000210202 [0,1,0,1,0,0|1,0,1]=4 4713 B11R1.117 CNCC1CC/C=C\CCC1 2230a_100102730862_200000210301 [0,1,0,1,0,0|1,0,1]=4 4714 B11R1.117 CNCC1CC/C=C\CCC1 34a_100102730862_200000210301 [0,1,0,1,0,0|1,0,1]=4 4715 B11R1.117 FCOC1CC/C=C\CCC1 34a_100016989180_100015361967 [0,1,0,1,0,0|1,0,1]=4 4716 B11R1.117 FCSC1CC/C=C\CCC1 62a_100015361967_100021000466 [0,1,0,1,0,0|1,0,1]=4 4717 B11R1.117 FCSC1CC/C=C\CCC1 62a_100021000466_100015361967 [0,1,0,1,0,0|1,0,1]=4 4718 B11R1.117 O=CCN1CCCCCCC1 2230a_100000211400_200015260668 [0,1,0,1,0,0|0,0,2]=4 4719 B11R1.117 O=CCN1CCCCCCC1 269982a_100000211400_200015260668 [0,1,0,1,0,0|0,0,2]=4 4720 B11R1.117 O=CCN1CCCCCCC1 34a_100000211400_200009817547 [0,1,0,1,0,0|0,0,2]=4 4721 B11R1.117 [13CH3]NCC1CC/C=C\CCC1 2230a_100102730862_200025704644 [0,1,0,1,0,0|1,0,1]=4 4722 B11R1.117 [13CH3]NCC1CC/C=C\CCC1 34a_100102730862_200025704644 [0,1,0,1,0,0|1,0,1]=4 4723 B11R1.135 O=CCN1CCNC(=O)CC1 2230a_100000698595_200015260668 [0,1,0,1,0,0|2,0,0]=4 4724 B11R1.135 O=CCN1CCNC(=O)CC1 269982a_100000698595_200015260668 [0,1,0,1,0,0|2,0,0]=4 4725 B11R1.180 C/C=C/COC1CCCC1=O 34a_100016270725_100000709159 [0,1,0,1,0,0|0,0,2]=4 4726 B11R1.180 C/C=C/COC1CCCC1=O 34a_200000719330_100102629194 [0,1,0,1,0,0|0,0,2]=4 4727 B11R1.180 C/C=C/CSC1CCCC1=O 62a_100000211823_100102629194 [0,1,0,1,0,0|0,0,2]=4 4728 B11R1.180 C/C=C/CSC1CCCC1=O 62a_100102629194_100000211823 [0,1,0,1,0,0|0,0,2]=4 4729 B11R1.180 CC/C=C\CN1CCC[C@@H]1C 2230a_100020605311_100103147603 [0,1,0,1,0,0|1,0,1]=4 4730 B11R1.180 CC/C=C\CN1CCC[C@@H]1C 269982a_100020605311_100103147603 [0,1,0,1,0,0|1,0,1]=4 4731 B11R1.180 CC/C=C\CN1CCC[C@H]1C 2230a_100015189458_100103147603 [0,1,0,1,0,0|1,0,1]=4 4732 B11R1.180 CC/C=C\CN1CCC[C@H]1C 269982a_100015189458_100103147603 [0,1,0,1,0,0|1,0,1]=4 4733 B11R1.180 CC/C=C\CN1CCC[C@H]1C 34a_100015189458_100103147603 [0,1,0,1,0,0|1,0,1]=4 4734 B11R1.180 CC1SCCN1CCCC=O 2230a_200011216479_200011292268 [0,1,0,1,0,0|1,0,1]=4 4735 B11R1.180 CC1SCCN1CCCC=O 269982a_200011216479_200011292268 [0,1,0,1,0,0|1,0,1]=4 4736 B11R1.180 CC=CCOC1CCCC1=O 34a_200000719330_100000070051 [0,1,0,1,0,0|0,0,2]=4 4737 B11R1.180 CC=CCSC1CCCC1=O 62a_100000070051_100000211823 [0,1,0,1,0,0|0,0,2]=4 4738 B11R1.180 CC=CCSC1CCCC1=O 62a_100000211823_100000070051 [0,1,0,1,0,0|0,0,2]=4 4739 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [0,1,0,1,0,0|0,0,2]=4 4740 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [0,1,0,1,0,0|0,0,2]=4 4741 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [0,1,0,1,0,0|0,0,2]=4 4742 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [0,1,0,1,0,0|0,0,2]=4 4743 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [0,1,0,1,0,0|0,0,2]=4 4744 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [0,1,0,1,0,0|0,0,2]=4 4745 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [0,1,0,1,0,0|0,0,2]=4 4746 B11R1.180 CCCOCC1CCNC1=O 34a_100000133458_100000210303 [0,1,0,1,0,0|1,0,1]=4 4747 B11R1.180 CCCSCN1CCCC1=O 62a_100000026320_100000210303 [0,1,0,1,0,0|1,0,1]=4 4748 B11R1.180 CCCSCN1CCCC1=O 62a_100000210303_100000026320 [0,1,0,1,0,0|1,0,1]=4 4749 B11R1.180 CCNCCN1CCCC1=O 2230a_100011200922_100000210202 [0,1,0,1,0,0|1,0,1]=4 4750 B11R1.180 CCNCCN1CCCC1=O 2230a_100015525214_100000739059 [0,1,0,1,0,0|1,0,1]=4 4751 B11R1.180 CCOCCN1CCCC1=O 34a_100000211209_100000210202 [0,1,0,1,0,0|1,0,1]=4 4752 B11R1.180 CCOCCN1CCCC1=O 34a_100121572206_100000739059 [0,1,0,1,0,0|1,0,1]=4 4753 B11R1.180 CCOCCN1CCCC1=O 7a_100000211209_100000210202 [0,1,0,1,0,0|1,0,1]=4 4754 B11R1.180 CCOCSC1CCCC1=O 62a_100000211823_100000739092 [0,1,0,1,0,0|1,0,1]=4 4755 B11R1.180 CCOCSC1CCCC1=O 62a_100000739092_100000211823 [0,1,0,1,0,0|1,0,1]=4 4756 B11R1.180 CCSCCN1CCCC1=O 62a_100000210202_100000739059 [0,1,0,1,0,0|1,0,1]=4 4757 B11R1.180 CCSCCN1CCCC1=O 62a_100000739059_100000210202 [0,1,0,1,0,0|1,0,1]=4 4758 B11R1.180 COCCNC1CCCC1=O 2230a_100000209980_100000211823 [0,1,0,1,0,0|1,0,1]=4 4759 B11R1.180 COCCOC1CCCC1=O 34a_100000210237_100000709159 [0,1,0,1,0,0|1,0,1]=4 4760 B11R1.180 COCCOC1CCCC1=O 34a_200000719330_100011201679 [0,1,0,1,0,0|1,0,1]=4 4761 B11R1.180 COCCSC1CCCC1=O 62a_100000211823_100000233755 [0,1,0,1,0,0|1,0,1]=4 4762 B11R1.180 COCCSC1CCCC1=O 62a_100000233755_100000211823 [0,1,0,1,0,0|1,0,1]=4 4763 B11R1.180 CSCCNC1CCCC1=O 2230a_100020590264_100000211823 [0,1,0,1,0,0|1,0,1]=4 4764 B11R1.180 CSCCOC1CCCC1=O 34a_100000230434_100000709159 [0,1,0,1,0,0|1,0,1]=4 4765 B11R1.180 CSCCOC1CCCC1=O 34a_200000719330_100000212216 [0,1,0,1,0,0|1,0,1]=4 4766 B11R1.180 CSCCOC1CCCC1=O 7a_100000230434_100000211823 [0,1,0,1,0,0|1,0,1]=4 4767 B11R1.180 CSCCSC1CCCC1=O 62a_100000211823_100000751147 [0,1,0,1,0,0|1,0,1]=4 4768 B11R1.180 CSCCSC1CCCC1=O 62a_100000212216_100000211823 [0,1,0,1,0,0|1,0,1]=4 4769 B11R1.180 C[C@@H]1CCCN1CCCC=O 2230a_100015189458_200011292268 [0,1,0,1,0,0|0,0,2]=4 4770 B11R1.180 C[C@@H]1CCCN1CCCC=O 269982a_100015189458_200011292268 [0,1,0,1,0,0|0,0,2]=4 4771 B11R1.180 C[C@H]1CCCN1CCCC=O 2230a_100020605311_200011292268 [0,1,0,1,0,0|0,0,2]=4 4772 B11R1.180 C[C@H]1CCCN1CCCC=O 269982a_100020605311_200011292268 [0,1,0,1,0,0|0,0,2]=4 4773 B11R1.180 NCCCOC1CCCC1=O 34a_100000182051_100000709159 [0,1,0,1,0,0|1,0,1]=4 4774 B11R1.180 O=C1CCCC1NCCCF 2230a_100015189416_100000211823 [0,1,0,1,0,0|1,0,1]=4 4775 B11R1.180 O=C1CCCC1NCCCF 34a_100015189416_100000709159 [0,1,0,1,0,0|1,0,1]=4 4776 B11R1.180 O=C1CCCC1OCCCBr 34a_100011217188_100000709159 [0,1,0,1,0,0|1,0,1]=4 4777 B11R1.180 O=C1CCCC1OCCCCl 34a_100000230001_100000709159 [0,1,0,1,0,0|1,0,1]=4 4778 B11R1.180 O=C1CCCC1OCCCF 34a_100000759539_100000709159 [0,1,0,1,0,0|1,0,1]=4 4779 B11R1.180 O=C1CCCC1OCCCF 34a_200000719330_100011934791 [0,1,0,1,0,0|1,0,1]=4 4780 B11R1.180 O=C1CCCC1OCCCO 34a_200000719330_100000230001 [0,1,0,1,0,0|1,0,1]=4 4781 B11R1.180 O=C1CCCC1SCCCF 62a_100000211823_100011934791 [0,1,0,1,0,0|1,0,1]=4 4782 B11R1.180 O=C1CCCC1SCCCF 62a_100011934791_100000211823 [0,1,0,1,0,0|1,0,1]=4 4783 B11R1.180 O=C1CCCC1SCCCO 62a_100000211823_100011215043 [0,1,0,1,0,0|1,0,1]=4 4784 B11R1.180 O=C1CCCC1SCCCO 62a_100011215043_100000211823 [0,1,0,1,0,0|1,0,1]=4 4785 B11R1.180 O=CCOCC1CCNC1=O 34a_100000133458_200009817547 [0,1,0,1,0,0|2,0,0]=4 4786 B11R1.199 CC#CC(=O)C1CCCC1=O 1458a_100000763181_100000211823 [0,1,0,1,0,0|0,0,2]=4 4787 B11R1.199 CC=CC(=O)C1CCCC1=O 1458a_100000210699_100000211823 [0,1,0,1,0,0|0,0,1]=3 4788 B11R1.199 CC=CC(=O)C1CCOC1=O 1458a_100000210699_100000211211 [0,1,0,1,0,0|1,0,1]=4 4789 B11R1.199 CCCC(=O)C1CCCC1=O 1458a_100000211992_100000211823 [0,1,0,1,0,0|0,0,1]=3 4790 B11R1.199 CCCC(=O)C1CCOC1=O 1458a_100000211992_100000211211 [0,1,0,1,0,0|1,0,1]=4 4791 B11R1.199 CCCN(C)C1CCCC1=O 2230a_100000747261_100000211823 [0,1,0,1,0,0|1,0,1]=4 4792 B11R1.199 CCCN(C)C1CCCC1=O 269982a_100000747261_100000211823 [0,1,0,1,0,0|1,0,1]=4 4793 B11R1.199 COCC(=O)C1CCCC1=O 1458a_100000210968_100000211823 [0,1,0,1,0,0|1,0,1]=4 4794 B11R1.199 CSCC(=O)C1CCCC1=O 1458a_100000184570_100000211823 [0,1,0,1,0,0|1,0,1]=4 4795 B11R1.199 O=C(C=CBr)C1CCCC1=O 1458a_100016273825_100000211823 [0,1,0,1,0,0|1,0,1]=4 4796 B11R1.199 O=C(C=CCl)C1CCCC1=O 1458a_200016279998_100000211823 [0,1,0,1,0,0|1,0,1]=4 4797 B11R1.199 O=C(C=CI)C1CCCC1=O 1458a_100016256311_100000211823 [0,1,0,1,0,0|1,0,1]=4 4798 B11R1.199 O=C(CCO)C1CCCC1=O 1458a_100011216618_100000211823 [0,1,0,1,0,0|1,0,1]=4 4799 B11R1.356 C=CCCCCC(=O)C1CC1 1458a_100000210395_100011215482 [0,1,0,1,0,0|1,0,1]=4 4800 B11R1.356 CN(CCCCC=O)C1CC1 2230a_100000226674_100000139335 [0,1,0,1,0,0|1,0,1]=4 4801 B11R1.356 CN(CCCCC=O)C1CC1 269982a_100000226674_100000139335 [0,1,0,1,0,0|1,0,1]=4 4802 B11R1.27 C=CCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100015514636 [0,1,0,1,0,0|2,0,0]=4 4803 B11R1.27 CC/C=C\CN1CNC(=O)C1 2230a_200000708111_100103147603 [0,1,0,1,0,0|2,0,0]=4 4804 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [0,1,0,1,0,0|1,0,1]=4 4805 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [0,1,0,1,0,0|1,0,1]=4 4806 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [0,1,0,1,0,0|1,0,1]=4 4807 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [0,1,0,1,0,0|1,0,1]=4 4808 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [0,1,0,1,0,0|1,0,1]=4 4809 B11R1.27 N[C@H]1C=C[C@H](C1)COCC=O 34a_100020646542_200009817547 [0,1,0,1,0,0|1,0,0]=3 4810 B11R1.27 O=CCNC[C@H]1CCC(=O)N1 2230a_100015423886_200015260668 [0,1,0,1,0,0|2,0,0]=4 4811 B11R1.27 O=CCNC[C@H]1CCC(=O)N1 34a_100015423886_200009817547 [0,1,0,1,0,0|2,0,0]=4 4812 B11R1.27 O=CCOCC1CCC(=O)N1 34a_100000737831_200009817547 [0,1,0,1,0,0|2,0,0]=4 4813 B11R1.27 O=CCSC[C@@H]1CCC(=O)N1 62a_100015189358_200015260668 [0,1,0,1,0,0|2,0,0]=4 4814 B11R1.27 O=CCSC[C@@H]1CCC(=O)N1 62a_200015260668_100015189358 [0,1,0,1,0,0|2,0,0]=4 4815 B11R1.46 CC/C=C\CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100015370543 [0,1,0,1,0,0|1,0,1]=4 4816 B11R1.46 CC/C=C\CCN[C@@H]1C[C@H]1F 2230a_100025746932_100015370543 [0,1,0,1,0,0|1,0,1]=4 4817 B11R1.46 CC/C=C\CCN[C@@H]1C[C@H]1F 34a_100025746932_100015370543 [0,1,0,1,0,0|1,0,1]=4 4818 B11R1.46 CC/C=C\COCC1CC1C 34a_100000744939_100103147603 [0,1,0,1,0,0|1,0,1]=4 4819 B11R1.46 CC/C=C\COCC1CC1C 7a_100000744939_100103147603 [0,1,0,1,0,0|1,0,1]=4 4820 B11R1.46 CC1CC1COCCCC=O 7a_100000744939_200011292268 [0,1,0,1,0,0|0,0,2]=4 4821 B11R1.46 O=CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000139335 [0,1,0,1,0,0|1,0,1]=4 4822 B11R1.46 O=CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000139335 [0,1,0,1,0,0|1,0,1]=4 4823 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [0,1,0,1,0,0|1,0,1]=4 4824 B11R1.53 CCN1CCCCC1C(=O)N 2230a_100000181395_100000210202 [0,1,0,1,0,0|1,0,1]=4 4825 B11R1.53 CCN1CCCCC1C(=O)N 269982a_100000181395_100000204670 [0,1,0,1,0,0|1,0,1]=4 4826 B11R1.53 CCN1CCCCC1C(=O)N 34a_100000181395_100000210202 [0,1,0,1,0,0|1,0,1]=4 4827 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [0,1,0,1,0,0|1,0,1]=4 4828 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [0,1,0,1,0,0|1,0,1]=4 4829 B11R1.86 CC(C)NC1CCCCC1=O 34a_100138425928_100000754470 [0,1,0,1,0,0|1,0,1]=4 4830 B11R1.86 CC(C)OC1CCCCC1=O 34a_100000212225_100000754470 [0,1,0,1,0,0|1,0,1]=4 4831 B11R1.86 CC(C)OC1CCCCC1=O 34a_100011214950_100000210206 [0,1,0,1,0,0|1,0,1]=4 4832 B11R1.86 CC(C)SC1CCCCC1=O 62a_100000204591_100000210206 [0,1,0,1,0,0|1,0,1]=4 4833 B11R1.86 CC(C)SC1CCCCC1=O 62a_100000210206_100000204591 [0,1,0,1,0,0|1,0,1]=4 4834 B11R1.90 CC(Br)COC1CCCC1=O 34a_100012180447_100000709159 [0,1,0,1,0,0|1,0,1]=4 4835 B11R1.90 CC(C)CNC1CCCC1=O 2230a_100000210953_100000211823 [0,1,0,1,0,0|1,0,1]=4 4836 B11R1.90 CC(C)CNC1CCCC1=O 34a_100000210953_100000709159 [0,1,0,1,0,0|1,0,1]=4 4837 B11R1.90 CC(C)COC1CCCC1=O 34a_100000210257_100000709159 [0,1,0,1,0,0|1,0,1]=4 4838 B11R1.90 CC(C)COC1CCCC1=O 34a_200000719330_100000210624 [0,1,0,1,0,0|1,0,1]=4 4839 B11R1.90 CC(C)CSC1CCCC1=O 62a_100000210624_100000211823 [0,1,0,1,0,0|1,0,1]=4 4840 B11R1.90 CC(C)CSC1CCCC1=O 62a_100000211823_100000210760 [0,1,0,1,0,0|1,0,1]=4 4841 B11R1.90 CC(F)COC1CCCC1=O 34a_100015925927_100000709159 [0,1,0,1,0,0|1,0,1]=4 4842 B11R1.90 CC(O)CNC1CCCC1=O 2230a_100000210904_100000211823 [0,1,0,1,0,0|1,0,1]=4 4843 B11R1.90 CC(O)CNC1CCCC1=O 34a_100000210904_100000709159 [0,1,0,1,0,0|1,0,1]=4 4844 B11R1.90 CC(O)COC1CCCC1=O 34a_200000719330_100011218427 [0,1,0,1,0,0|1,0,1]=4 4845 B11R1.90 CC(O)CSC1CCCC1=O 62a_100000211823_100011218427 [0,1,0,1,0,0|1,0,1]=4 4846 B11R1.90 CC(O)CSC1CCCC1=O 62a_100011218427_100000211823 [0,1,0,1,0,0|1,0,1]=4 4847 B11R1.90 C[C@@H](Cl)COC1CCCC1=O 34a_100016084084_100000709159 [0,1,0,1,0,0|1,0,1]=4 4848 B11R1.90 C[C@@H](N)COC1CCCC1=O 34a_100000737577_100000709159 [0,1,0,1,0,0|1,0,1]=4 4849 B11R1.90 C[C@@H](O)COC1CCCC1=O 34a_200000719330_100009817552 [0,1,0,1,0,0|1,0,1]=4 4850 B11R1.90 C[C@@H](O)CSC1CCCC1=O 62a_100000211823_100009817552 [0,1,0,1,0,0|1,0,1]=4 4851 B11R1.90 C[C@@H](O)CSC1CCCC1=O 62a_100009817552_100000211823 [0,1,0,1,0,0|1,0,1]=4 4852 B11R1.91 C=C(C)CCN1CC=CCC1 2230a_100000698166_100000730704 [0,1,0,1,0,0|2,0,0]=4 4853 B11R1.91 C=C(C)CCN1CC=CCC1 269982a_100000698166_100000730704 [0,1,0,1,0,0|2,0,0]=4 4854 B11R1.91 C=C(C)CCN1CC=CCC1 34a_100000698166_100000730704 [0,1,0,1,0,0|2,0,0]=4 4855 B11R1.91 C=C(C)COC1CC=CCC1 34a_100000073881_100000748629 [0,1,0,1,0,0|2,0,0]=4 4856 B11R1.91 C=C(F)COC1CC=CCC1 34a_100000073881_100009893438 [0,1,0,1,0,0|2,0,0]=4 4857 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [0,1,0,1,0,0|0,0,2]=4 4858 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [0,1,0,1,0,0|0,0,2]=4 4859 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [0,1,0,1,0,0|1,0,1]=4 4860 B11R1.91 CC(=O)CCN1CC=CCC1 269982a_100000698166_100000053229 [0,1,0,1,0,0|1,0,0]=3 4861 B11R1.91 CC(=O)OCN1CC=CCC1 269982a_100000698166_100000076356 [0,1,0,1,0,0|2,0,0]=4 4862 B11R1.91 CC(=O)OCN1CC=CCC1 34a_100000698166_100009813279 [0,1,0,1,0,0|2,0,0]=4 4863 B11R1.91 NC(=O)CCN1CC=CCC1 2230a_100000698166_100000744528 [0,1,0,1,0,0|1,0,0]=3 4864 B11R1.91 NC(=O)CCN1CC=CCC1 269982a_100000698166_100000744528 [0,1,0,1,0,0|1,0,0]=3 4865 B11R1.91 NC(=O)CCN1CC=CCC1 34a_100000698166_100000731001 [0,1,0,1,0,0|1,0,0]=3 4866 B11R1.91 NC(=O)COC1CC=CCC1 34a_100000073881_100000187820 [0,1,0,1,0,0|1,0,0]=3 4867 B11R1.91 O=C([O-])COC1CC=CCC1 34a_100000073881_100020667443 [0,1,0,1,0,0|1,0,0]=3 4868 B11R1.91 O=[N+]([O-])COC1CC=CCC1 34a_100000073881_100000761209 [0,1,0,1,0,0|2,0,0]=4 4869 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [0,1,0,1,0,0|0,0,2]=4 4870 B11R1.99 CC/C=C/CCCOC1CC1 34a_100016287902_100000211595 [0,1,0,1,0,0|1,0,1]=4 4871 B11R1.99 CC/C=C\CCNCC1CC1 2230a_100000735609_100015370543 [0,1,0,1,0,0|1,0,1]=4 4872 B11R1.99 CC/C=C\CCNCC1CC1 34a_100000735609_100015370543 [0,1,0,1,0,0|1,0,1]=4 4873 B11R1.99 CC/C=C\CCOCC1CC1 34a_100000211283_100015370543 [0,1,0,1,0,0|1,0,1]=4 4874 B11R1.99 CC/C=C\CCOCC1CC1 34a_100016288707_100000742324 [0,1,0,1,0,0|1,0,1]=4 4875 B11R1.99 CC/C=C\CCOCC1CC1 7a_100016288707_100000742324 [0,1,0,1,0,0|1,0,1]=4 4876 B11R1.99 CC/C=C\CCOCC1CO1 34a_100016288707_102125554688 [0,1,0,1,0,0|0,0,2]=4 4877 B11R1.99 CC/C=C\CCOCC1CO1 7a_100016288707_102125554688 [0,1,0,1,0,0|0,0,2]=4 4878 B11R1.99 CC/C=C\CCOCC1CS1 7a_100016288707_100000031435 [0,1,0,1,0,0|0,1,1]=4 4879 B11R1.99 CC/C=C\CCOC[C@@H]1CO1 34a_100000757423_100015370543 [0,1,0,1,0,0|0,0,2]=4 4880 B11R1.99 CC/C=C\CCOC[C@@H]1CO1 7a_100016288707_100000745022 [0,1,0,1,0,0|0,0,2]=4 4881 B11R1.99 CC/C=C\CCSCC1CC1 62a_100000756562_100015370543 [0,1,0,1,0,0|1,0,1]=4 4882 B11R1.99 CC/C=C\CCSCC1CC1 62a_100015370543_100000742324 [0,1,0,1,0,0|1,0,1]=4 4883 B11R1.99 CC/C=C\CCSCC1CO1 62a_100015370543_102125554688 [0,1,0,1,0,0|0,0,2]=4 4884 B11R1.99 CC/C=C\CCSCC1CO1 62a_102125554688_100015370543 [0,1,0,1,0,0|0,0,2]=4 4885 B11R1.99 CC/C=C\CCSCC1CS1 62a_100000031435_100015370543 [0,1,0,1,0,0|0,1,1]=4 4886 B11R1.99 CC/C=C\CCSCC1CS1 62a_100015370543_100000031435 [0,1,0,1,0,0|0,1,1]=4 4887 B11R1.99 CC/C=C\CCSC[C@@H]1CO1 62a_100000745022_100015370543 [0,1,0,1,0,0|0,0,2]=4 4888 B11R1.99 CC/C=C\CCSC[C@@H]1CO1 62a_100015370543_100000745022 [0,1,0,1,0,0|0,0,2]=4 4889 B11R1.99 CC/C=C\CNCCC1CC1 34a_100000764129_100103147603 [0,1,0,1,0,0|1,0,1]=4 4890 B11R1.99 CC/C=C\COCCC1CC1 34a_100000754188_100103147603 [0,1,0,1,0,0|1,0,1]=4 4891 B11R1.99 CC/C=C\COCCC1CC1 34a_100016268518_100000694398 [0,1,0,1,0,0|1,0,1]=4 4892 B11R1.99 CC/C=C\COCCC1CC1 7a_100000754188_100103147603 [0,1,0,1,0,0|1,0,1]=4 4893 B11R1.99 CC/C=C\COCCC1CO1 34a_100016268518_100000732470 [0,1,0,1,0,0|0,0,2]=4 4894 B11R1.99 CC/C=C\COCC[C@@H]1CO1 34a_100009820653_100103147603 [0,1,0,1,0,0|0,0,2]=4 4895 B11R1.99 CC/C=C\CSCCC1CC1 62a_100000764125_100103147603 [0,1,0,1,0,0|1,0,1]=4 4896 B11R1.99 CC/C=C\CSCCC1CC1 62a_100103147603_100000764125 [0,1,0,1,0,0|1,0,1]=4 4897 B11R1.99 CC/C=C\CSCCC1CO1 62a_100000732470_100103147603 [0,1,0,1,0,0|0,0,2]=4 4898 B11R1.99 CC/C=C\CSCCC1CO1 62a_100103147603_100000732470 [0,1,0,1,0,0|0,0,2]=4 4899 B11R1.99 O=CCCCCCSC1CC1 62a_100000139337_100000211595 [0,1,0,1,0,0|0,0,2]=4 4900 B11R1.99 O=CCCCCNCC1CC1 2230a_100000735609_100000139335 [0,1,0,1,0,0|0,0,2]=4 4901 B11R1.99 O=CCCCCSCC1CC1 62a_100000139335_100000742324 [0,1,0,1,0,0|0,0,2]=4 4902 B11R1.99 O=CCCCCSCC1CC1 62a_100000756562_100000139335 [0,1,0,1,0,0|0,0,2]=4 4903 B11R1.99 O=CCCCCSCC1CO1 62a_100000139335_102125554688 [0,1,0,1,0,0|1,0,1]=4 4904 B11R1.99 O=CCCCCSCC1CO1 62a_102125554688_100000139335 [0,1,0,1,0,0|1,0,1]=4 4905 B11R1.99 O=CCCCCSCC1CS1 62a_100000031435_100000139335 [0,1,0,1,0,0|1,0,1]=4 4906 B11R1.99 O=CCCCCSCC1CS1 62a_100000139335_100000031435 [0,1,0,1,0,0|1,0,1]=4 4907 B11R1.99 O=CCCCCSC[C@@H]1CO1 62a_100000139335_100000745022 [0,1,0,1,0,0|1,0,1]=4 4908 B11R1.99 O=CCCCCSC[C@@H]1CO1 62a_100000745022_100000139335 [0,1,0,1,0,0|1,0,1]=4 4909 B11R1.99 O=CCCCOCCC1CC1 7a_100000754188_200011292268 [0,1,0,1,0,0|0,0,2]=4 4910 B11R1.99 O=CCCCSCCC1CC1 62a_100000764125_200011292268 [0,1,0,1,0,0|0,0,2]=4 4911 B11R1.99 O=CCCCSCCC1CC1 62a_200011292268_100000764125 [0,1,0,1,0,0|0,0,2]=4 4912 B11R1.161 CC(C)NCCC1CCC1=O 2230a_100138425928_200016118888 [0,1,0,1,0,0|1,0,1]=4 4913 B11R1.161 CC(C)SCCC1CCC1=O 62a_100000210206_200016118888 [0,1,0,1,0,0|1,0,1]=4 4914 B11R1.161 CC(C)SCCC1CCC1=O 62a_200016118888_100000210206 [0,1,0,1,0,0|1,0,1]=4 4915 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [0,1,0,1,0,0|0,0,2]=4 4916 B11R1.174 CC(=O)CCCCN1CCC1 269982a_100000754969_100000735457 [0,1,0,1,0,0|1,0,1]=4 4917 B11R1.176 CC(=O)CCCCNC1CC1 34a_100000212008_100009817362 [0,1,0,1,0,0|1,0,1]=4 4918 B11R1.176 CC(=O)CCCCSC1CC1 62a_100000735457_100000211595 [0,1,0,1,0,0|1,0,1]=4 4919 B11R1.176 NC(=O)CCCCNC1CC1 34a_100000696515_100000211595 [0,1,0,1,0,0|1,0,1]=4 4920 B11R1.176 NC(=O)CCCCOC1CC1 34a_100012022536_100000211595 [0,1,0,1,0,0|1,0,1]=4 4921 B11R1.193 CCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210303 [0,1,0,1,0,0|1,0,1]=4 4922 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [0,1,0,1,0,0|1,0,1]=4 4923 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [0,1,0,1,0,0|0,0,0]=2 4924 B11R1.706 CN(C)C1CC/C=C\CCC1 269982a_100102631434_100021000466 [0,1,0,1,0,0|2,0,0]=4 4925 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,1,0,1,0,0|0,0,2]=4 4926 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,1,0,1,0,0|0,0,2]=4 4927 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,1,0,1,0,0|0,0,2]=4 4928 B11R1.5 CCNC1CCCCNC1=O 2230a_100000698827_100000210202 [0,1,0,1,0,0|1,0,1]=4 4929 B11R1.5 CCNC1CCCCNC1=O 2230a_100015525214_100000735217 [0,1,0,1,0,0|1,0,1]=4 4930 B11R1.5 CCNC1CCCCNC1=O 34a_100000698827_100000210202 [0,1,0,1,0,0|1,0,1]=4 4931 B11R1.5 CCSC1CCCCCC1=O 62a_100000210202_100000243696 [0,1,0,1,0,0|0,0,2]=4 4932 B11R1.5 CCSC1CCCCCC1=O 62a_100000243696_100000210202 [0,1,0,1,0,0|0,0,2]=4 4933 B11R1.5 CCSC1CCCCNC1=O 62a_100000210202_100000735217 [0,1,0,1,0,0|1,0,1]=4 4934 B11R1.5 CCSC1CCCCNC1=O 62a_100000735217_100000210202 [0,1,0,1,0,0|1,0,1]=4 4935 B11R1.17 CC1CCCCC1NCC=O 2230a_100000211402_200015260668 [0,1,0,1,0,0|0,0,2]=4 4936 B11R1.17 CC1CCCCC1NCC=O 34a_100000211402_200009817547 [0,1,0,1,0,0|0,0,2]=4 4937 B11R1.17 CC1CCCCC1OCC=O 34a_100000211207_200009817547 [0,1,0,1,0,0|0,0,2]=4 4938 B11R1.17 CC1CCCCC1OCC=O 7a_100000211207_200015260668 [0,1,0,1,0,0|0,0,2]=4 4939 B11R1.17 CC1CNCCC1OCC=O 34a_100011998114_200009817547 [0,1,0,1,0,0|1,0,1]=4 4940 B11R1.17 CCCNC1CCCNC1=O 2230a_100000747585_100000210303 [0,1,0,1,0,0|1,0,1]=4 4941 B11R1.17 CCCNC1CCCNC1=O 34a_100000747585_100000210303 [0,1,0,1,0,0|1,0,1]=4 4942 B11R1.17 CCCOC1CCCCC1=O 34a_100000210258_100000754470 [0,1,0,1,0,0|0,0,2]=4 4943 B11R1.17 CCCOC1CCCCC1=O 34a_100011214950_100000210303 [0,1,0,1,0,0|0,0,2]=4 4944 B11R1.17 CCCOC1CCCNC1=O 34a_100000073722_100000210303 [0,1,0,1,0,0|1,0,1]=4 4945 B11R1.17 CCCOC1CCCNC1=O 34a_100000210258_100000687798 [0,1,0,1,0,0|1,0,1]=4 4946 B11R1.17 CCCOC1COCCC1=O 34a_100000210258_100012180262 [0,1,0,1,0,0|1,0,1]=4 4947 B11R1.17 CCCSC1CCCCC1=O 62a_100000204591_100000210303 [0,1,0,1,0,0|0,0,2]=4 4948 B11R1.17 CCCSC1CCCCC1=O 62a_100000210303_100000204591 [0,1,0,1,0,0|0,0,2]=4 4949 B11R1.17 CCCSC1CCCNC1=O 62a_100000210303_100000687798 [0,1,0,1,0,0|1,0,1]=4 4950 B11R1.17 CCCSC1CCCNC1=O 62a_100000687798_100000210303 [0,1,0,1,0,0|1,0,1]=4 4951 B11R1.17 CCCSC1COCCC1=O 62a_100000210303_100012180262 [0,1,0,1,0,0|1,0,1]=4 4952 B11R1.17 CCCSC1COCCC1=O 62a_100012180262_100000210303 [0,1,0,1,0,0|1,0,1]=4 4953 B11R1.17 CCOCC1CCCCC1=O 34a_100009861125_100000210202 [0,1,0,1,0,0|0,0,2]=4 4954 B11R1.17 CCOCC1CCCCC1=O 7a_100009861125_100000210202 [0,1,0,1,0,0|0,0,2]=4 4955 B11R1.17 CNCCN1CCCCC1=O 2230a_100160573077_200000210301 [0,1,0,1,0,0|1,0,1]=4 4956 B11R1.17 CNCCN1CCCCC1=O 34a_100160573077_200000210301 [0,1,0,1,0,0|1,0,1]=4 4957 B11R1.17 COCSC1CCCCC1=O 62a_100000204591_100000766300 [0,1,0,1,0,0|1,0,1]=4 4958 B11R1.17 COCSC1CCCCC1=O 62a_100000766300_100000204591 [0,1,0,1,0,0|1,0,1]=4 4959 B11R1.17 CSCOC1CCCCC1=O 34a_100011214950_100011218213 [0,1,0,1,0,0|1,0,1]=4 4960 B11R1.17 CSCSC1CCCCC1=O 62a_100000204591_100011218213 [0,1,0,1,0,0|1,0,1]=4 4961 B11R1.17 CSCSC1CCCCC1=O 62a_100011218213_100000204591 [0,1,0,1,0,0|1,0,1]=4 4962 B11R1.17 NCCOC1CCCCC1=O 34a_100000210304_100000754470 [0,1,0,1,0,0|1,0,1]=4 4963 B11R1.17 O=C1CCCCC1NCCF 34a_100000724931_100000754470 [0,1,0,1,0,0|1,0,1]=4 4964 B11R1.17 O=C1CCCCC1NCCO 34a_100016990907_100000754470 [0,1,0,1,0,0|1,0,1]=4 4965 B11R1.17 O=C1CCCCC1OCCBr 34a_100000211926_100000754470 [0,1,0,1,0,0|1,0,1]=4 4966 B11R1.17 O=C1CCCCC1OCCF 34a_100011214950_100011217306 [0,1,0,1,0,0|1,0,1]=4 4967 B11R1.17 O=C1CCCCC1OCCO 34a_100011214950_100000211926 [0,1,0,1,0,0|1,0,1]=4 4968 B11R1.17 O=C1CCCCC1SCCF 62a_100000204591_100011217306 [0,1,0,1,0,0|1,0,1]=4 4969 B11R1.17 O=C1CCCCC1SCCF 62a_100011217306_100000204591 [0,1,0,1,0,0|1,0,1]=4 4970 B11R1.17 O=C1CCCCC1SCCO 62a_100000204591_100000211926 [0,1,0,1,0,0|1,0,1]=4 4971 B11R1.17 O=C1CCCCC1SCCO 62a_100000211926_100000204591 [0,1,0,1,0,0|1,0,1]=4 4972 B11R1.17 [13CH3]NCCN1CCCCC1=O 2230a_100160573077_200025704644 [0,1,0,1,0,0|1,0,1]=4 4973 B11R1.17 [13CH3]NCCN1CCCCC1=O 34a_100160573077_200025704644 [0,1,0,1,0,0|1,0,1]=4 4974 B11R1.18 C=CCCN1CC=CC1CC 2230a_100000730860_100000754431 [0,1,0,1,0,0|2,0,0]=4 4975 B11R1.18 C=CCCN1CC=CC1CC 269982a_100000730860_100000754431 [0,1,0,1,0,0|2,0,0]=4 4976 B11R1.18 C=CCCN1CC=CC1CC 34a_100000730860_100000754431 [0,1,0,1,0,0|2,0,0]=4 4977 B11R1.28 C#CCCCN1CC=CCC1 2230a_100000698166_100000731252 [0,1,0,1,0,0|1,0,1]=4 4978 B11R1.28 C#CCCCN1CC=CCC1 269982a_100000698166_100011215417 [0,1,0,1,0,0|1,0,1]=4 4979 B11R1.28 C#CCCCN1CC=CCC1 34a_100000698166_100000695029 [0,1,0,1,0,0|1,0,1]=4 4980 B11R1.28 C#CCCOC1CC=CCC1 34a_100000073881_100000688953 [0,1,0,1,0,0|1,0,1]=4 4981 B11R1.28 C#CCOCC1CC=CCC1 34a_100000210713_100000184674 [0,1,0,1,0,0|1,0,1]=4 4982 B11R1.28 C/C=C/COC1CC=CCC1 34a_100000073881_100102629194 [0,1,0,1,0,0|1,0,1]=4 4983 B11R1.28 C=CCCCN1CC=CCC1 2230a_100000698166_100011713584 [0,1,0,1,0,0|1,0,0]=3 4984 B11R1.28 C=CCCCN1CC=CCC1 269982a_100000698166_100000757094 [0,1,0,1,0,0|1,0,0]=3 4985 B11R1.28 C=CCCCN1CC=CCC1 34a_100000698166_100000757094 [0,1,0,1,0,0|1,0,0]=3 4986 B11R1.28 C=CCCNC1C=CCCC1 2230a_100015191253_100000751183 [0,1,0,1,0,0|2,0,0]=4 4987 B11R1.28 C=CCCOC1C=CCCC1 34a_100011215024_100000754431 [0,1,0,1,0,0|2,0,0]=4 4988 B11R1.28 C=CCCOC1CC=CCC1 34a_100000073881_100000754431 [0,1,0,1,0,0|1,0,0]=3 4989 B11R1.28 C=CCCSC1C=CCCC1 62a_100000751183_100000754431 [0,1,0,1,0,0|2,0,0]=4 4990 B11R1.28 C=CCCSC1C=CCCC1 62a_100000754431_100000751183 [0,1,0,1,0,0|2,0,0]=4 4991 B11R1.28 C=CCNCC1CC=CCC1 270004a_100020586998_100000189434 [0,1,0,1,0,0|1,0,0]=3 4992 B11R1.28 C=CCOCC1CC=CCC1 34a_100000210713_100015514636 [0,1,0,1,0,0|1,0,0]=3 4993 B11R1.28 C=CCOCC1CCC=CO1 34a_100011217868_100015514636 [0,1,0,1,0,0|2,0,0]=4 4994 B11R1.28 C=COCCN1CC=CCC1 2230a_100000698166_100000039644 [0,1,0,1,0,0|2,0,0]=4 4995 B11R1.28 C=COCCN1CC=CCC1 269982a_100000698166_100000039644 [0,1,0,1,0,0|2,0,0]=4 4996 B11R1.28 C=COCCN1CC=CCC1 34a_100000698166_100000039644 [0,1,0,1,0,0|2,0,0]=4 4997 B11R1.28 CC/C=C\CN1CC=CCC1 2230a_100000698166_100103147603 [0,1,0,1,0,0|1,0,1]=4 4998 B11R1.28 CC/C=C\CN1CC=CCC1 269982a_100000698166_100103147603 [0,1,0,1,0,0|1,0,1]=4 4999 B11R1.28 CC/C=C\CN1CC=CCC1 34a_100000698166_100103147603 [0,1,0,1,0,0|1,0,1]=4 5000 B11R1.28 CC/C=C\CN1CCCOC1 2230a_100000131196_100103147603 [0,1,0,1,0,0|2,0,0]=4 5001 B11R1.28 CC/C=C\CN1CCCOC1 269982a_100000131196_100103147603 [0,1,0,1,0,0|2,0,0]=4 5002 B11R1.28 CC/C=C\CN1CCCOC1 34a_100000131196_100103147603 [0,1,0,1,0,0|2,0,0]=4 5003 B11R1.28 CC=CCOC1CC=CCC1 34a_100000073881_100000070051 [0,1,0,1,0,0|1,0,1]=4 5004 B11R1.28 CCCCCN1CC=CCC1 2230a_100000698166_100000210326 [0,1,0,1,0,0|1,0,1]=4 5005 B11R1.28 CCCCCN1CC=CCC1 269982a_100000698166_100000210215 [0,1,0,1,0,0|1,0,1]=4 5006 B11R1.28 CCCCCN1CC=CCC1 34a_100000698166_100000718602 [0,1,0,1,0,0|1,0,1]=4 5007 B11R1.28 CCCCOC1CC=CCC1 34a_100000073881_100000210210 [0,1,0,1,0,0|1,0,1]=4 5008 B11R1.28 CCCNCC1CC=CCC1 270004a_100020643023_100000189434 [0,1,0,1,0,0|1,0,1]=4 5009 B11R1.28 CCCOCC1CC=CCC1 34a_100000210713_100000210303 [0,1,0,1,0,0|1,0,1]=4 5010 B11R1.28 COCCCN1CC=CCC1 2230a_100000698166_100000740836 [0,1,0,1,0,0|2,0,0]=4 5011 B11R1.28 COCCCN1CC=CCC1 269982a_100000698166_100000740836 [0,1,0,1,0,0|2,0,0]=4 5012 B11R1.28 COCCCN1CC=CCC1 34a_100000698166_100000740836 [0,1,0,1,0,0|2,0,0]=4 5013 B11R1.28 COCCOC1CC=CCC1 34a_100000073881_100011201679 [0,1,0,1,0,0|2,0,0]=4 5014 B11R1.28 CSCCOC1CC=CCC1 34a_100000073881_100000212216 [0,1,0,1,0,0|2,0,0]=4 5015 B11R1.28 CSCOCC1CC=CCC1 34a_100000210713_100011218213 [0,1,0,1,0,0|2,0,0]=4 5016 B11R1.28 FCCCCN1CC=CCC1 2230a_100000698166_100000729493 [0,1,0,1,0,0|1,0,1]=4 5017 B11R1.28 FCCCCN1CC=CCC1 269982a_100000698166_100000729493 [0,1,0,1,0,0|1,0,1]=4 5018 B11R1.28 FCCCCN1CC=CCC1 34a_100000698166_100000729493 [0,1,0,1,0,0|1,0,1]=4 5019 B11R1.28 FCCCOC1CC=CCC1 34a_100000073881_100011934791 [0,1,0,1,0,0|1,0,1]=4 5020 B11R1.28 FCCOCC1CC=CCC1 34a_100000210713_100011217306 [0,1,0,1,0,0|1,0,1]=4 5021 B11R1.28 N#CCCCN1CC=CCC1 2230a_100000698166_100000687738 [0,1,0,1,0,0|1,0,1]=4 5022 B11R1.28 N#CCCCN1CC=CCC1 269982a_100000698166_100000687738 [0,1,0,1,0,0|1,0,1]=4 5023 B11R1.28 O=CCCCN1CC=CCC1 2230a_100000698166_200011292268 [0,1,0,1,0,0|0,0,0]=2 5024 B11R1.28 O=CCCCN1CC=CCC1 269982a_100000698166_200011292268 [0,1,0,1,0,0|0,0,0]=2 5025 B11R1.28 O=CCCCN1CCCOC1 2230a_100000131196_200011292268 [0,1,0,1,0,0|1,0,1]=4 5026 B11R1.28 O=CCCCN1CCCOC1 269982a_100000131196_200011292268 [0,1,0,1,0,0|1,0,1]=4 5027 B11R1.28 O=CCCCN1CCOCC1 2230a_100015191051_200011292268 [0,1,0,1,0,0|1,0,1]=4 5028 B11R1.28 O=CCCCN1CCOCC1 269982a_100015191051_200011292268 [0,1,0,1,0,0|1,0,1]=4 5029 B11R1.28 O=CCCCN1CCSCC1 2230a_100000737611_200011292268 [0,1,0,1,0,0|1,0,1]=4 5030 B11R1.28 O=CCCCN1CCSCC1 269982a_100000737611_200011292268 [0,1,0,1,0,0|1,0,1]=4 5031 B11R1.28 O=CCNCC1CCCCC1 2230a_100000210473_200015260668 [0,1,0,1,0,0|0,0,2]=4 5032 B11R1.28 O=CCNCC1CCCCC1 34a_100000210473_200009817547 [0,1,0,1,0,0|0,0,2]=4 5033 B11R1.28 O=CCNCC1CCCOC1 2230a_100000720124_200015260668 [0,1,0,1,0,0|1,0,1]=4 5034 B11R1.28 O=CCNCC1CCCOC1 34a_100000720124_200009817547 [0,1,0,1,0,0|1,0,1]=4 5035 B11R1.28 O=CCNCC1CCOCC1 2230a_100000746373_200015260668 [0,1,0,1,0,0|1,0,1]=4 5036 B11R1.28 O=CCNCC1CCOCC1 34a_100000746373_200009817547 [0,1,0,1,0,0|1,0,1]=4 5037 B11R1.28 O=CCNCC1CCSCC1 2230a_100015188806_200015260668 [0,1,0,1,0,0|1,0,1]=4 5038 B11R1.28 O=CCNCC1CCSCC1 34a_100015188806_200009817547 [0,1,0,1,0,0|1,0,1]=4 5039 B11R1.28 O=CCOCC1CC=CCC1 34a_100000210713_200009817547 [0,1,0,1,0,0|0,0,0]=2 5040 B11R1.28 O=CCOCC1CCC=CO1 34a_100011217868_200009817547 [0,1,0,1,0,0|1,0,0]=3 5041 B11R1.28 O=CCOCC1CCCCC1 34a_100000212181_200009817547 [0,1,0,1,0,0|0,0,2]=4 5042 B11R1.28 O=CCOCC1CCCCC1 7a_100000212181_200015260668 [0,1,0,1,0,0|0,0,2]=4 5043 B11R1.28 O=CCOCC1CCCNC1 34a_100000211344_200009817547 [0,1,0,1,0,0|1,0,1]=4 5044 B11R1.28 O=CCOCC1CCCOC1 34a_100000741520_200009817547 [0,1,0,1,0,0|1,0,1]=4 5045 B11R1.28 O=CCOCC1CCNCC1 34a_100000738675_200009817547 [0,1,0,1,0,0|1,0,1]=4 5046 B11R1.28 O=CCOCC1CCOCC1 34a_100000749013_200009817547 [0,1,0,1,0,0|1,0,1]=4 5047 B11R1.28 O=CCOCC1CCSCC1 34a_100000070558_200009817547 [0,1,0,1,0,0|1,0,1]=4 5048 B11R1.28 O=CCOCC1CCSCC1 7a_100000070558_200015260668 [0,1,0,1,0,0|1,0,1]=4 5049 B11R1.28 O=CCSCC1CCCCC1 62a_100000211423_200015260668 [0,1,0,1,0,0|0,0,2]=4 5050 B11R1.28 O=CCSCC1CCCCC1 62a_200015260668_100000211423 [0,1,0,1,0,0|0,0,2]=4 5051 B11R1.28 O=CCSCC1CCCOC1 62a_100000741521_200015260668 [0,1,0,1,0,0|1,0,1]=4 5052 B11R1.28 O=CCSCC1CCCOC1 62a_200015260668_100000741521 [0,1,0,1,0,0|1,0,1]=4 5053 B11R1.28 O=CCSCC1CCOCC1 62a_100000754603_200015260668 [0,1,0,1,0,0|1,0,1]=4 5054 B11R1.28 O=CCSCC1CCOCC1 62a_200015260668_100000749018 [0,1,0,1,0,0|1,0,1]=4 5055 B11R1.28 OCCCCN1CC=CCC1 2230a_100000698166_100000210776 [0,1,0,1,0,0|0,0,2]=4 5056 B11R1.28 OCCCCN1CC=CCC1 269982a_100000698166_100000210776 [0,1,0,1,0,0|0,0,2]=4 5057 B11R1.28 OCCCCN1CC=CCC1 34a_100000698166_100011216708 [0,1,0,1,0,0|0,0,2]=4 5058 B11R1.28 OCCCOC1CC=CCC1 34a_100000073881_100000230001 [0,1,0,1,0,0|0,0,2]=4 5059 B11R1.28 OCCNCC1CC=CCC1 270004a_100000210304_100000189434 [0,1,0,1,0,0|0,0,2]=4 5060 B11R1.28 OCCOCC1CC=CCC1 34a_100000210713_100000211926 [0,1,0,1,0,0|0,0,2]=4 5061 B11R1.41 CCC1CCCCN1CC=O 2230a_100000210034_200015260668 [0,1,0,1,0,0|0,0,2]=4 5062 B11R1.41 CCC1CCCCN1CC=O 269982a_100000210034_200015260668 [0,1,0,1,0,0|0,0,2]=4 5063 B11R1.41 CCC1CCCCN1CC=O 34a_100000210034_200009817547 [0,1,0,1,0,0|0,0,2]=4 5064 B11R1.47 CC/C=C\CCNC1CCC1 2230a_100000749019_100015370543 [0,1,0,1,0,0|1,0,1]=4 5065 B11R1.47 CC/C=C\CCNC1CCC1 34a_100000749019_100015370543 [0,1,0,1,0,0|1,0,1]=4 5066 B11R1.47 CC/C=C\CCNC1COC1 2230a_100016991112_100015370543 [0,1,0,1,0,0|2,0,0]=4 5067 B11R1.47 CC/C=C\CCOC1CCC1 34a_100000748187_100015370543 [0,1,0,1,0,0|1,0,1]=4 5068 B11R1.47 CC/C=C\CCOC1CCC1 34a_100016288707_100000749161 [0,1,0,1,0,0|1,0,1]=4 5069 B11R1.47 CC/C=C\CCOC1COC1 34a_100016288707_100009818527 [0,1,0,1,0,0|2,0,0]=4 5070 B11R1.47 CC/C=C\CCOC1COC1 7a_100016288707_100009818527 [0,1,0,1,0,0|2,0,0]=4 5071 B11R1.47 CC/C=C\CCOC1CSC1 7a_100000072292_100015370543 [0,1,0,1,0,0|2,0,0]=4 5072 B11R1.47 CC/C=C\CCSC1CCC1 62a_100015370543_100000749161 [0,1,0,1,0,0|1,0,1]=4 5073 B11R1.47 CC/C=C\CCSC1COC1 62a_100015370543_100009818527 [0,1,0,1,0,0|2,0,0]=4 5074 B11R1.47 CC/C=C\CNCC1CCC1 2230a_100000738700_100103147603 [0,1,0,1,0,0|1,0,1]=4 5075 B11R1.47 CC/C=C\CNCC1CCC1 34a_100000738700_100103147603 [0,1,0,1,0,0|1,0,1]=4 5076 B11R1.47 CC/C=C\CNCC1COC1 2230a_100015281925_100103147603 [0,1,0,1,0,0|2,0,0]=4 5077 B11R1.47 CC/C=C\CNCC1COC1 34a_100015281925_100103147603 [0,1,0,1,0,0|2,0,0]=4 5078 B11R1.47 CC/C=C\CNC[C@@H]1CCO1 2230a_100020831831_100103147603 [0,1,0,1,0,0|0,0,2]=4 5079 B11R1.47 CC/C=C\CNC[C@@H]1CCO1 34a_100020831831_100103147603 [0,1,0,1,0,0|0,0,2]=4 5080 B11R1.47 CC/C=C\COCC1CCC1 34a_100000760304_100103147603 [0,1,0,1,0,0|1,0,1]=4 5081 B11R1.47 CC/C=C\COCC1CCC1 34a_100016268518_100000763275 [0,1,0,1,0,0|1,0,1]=4 5082 B11R1.47 CC/C=C\COCC1CCO1 34a_100000039022_100103147603 [0,1,0,1,0,0|0,0,2]=4 5083 B11R1.47 CC/C=C\COCC1CCO1 34a_100016268518_100000103362 [0,1,0,1,0,0|0,0,2]=4 5084 B11R1.47 CC/C=C\COCC1CNC1 34a_100016987283_100103147603 [0,1,0,1,0,0|2,0,0]=4 5085 B11R1.47 CC/C=C\COCC1COC1 34a_100000060846_100103147603 [0,1,0,1,0,0|2,0,0]=4 5086 B11R1.47 CC/C=C\COCC1COC1 34a_100016268518_100010264016 [0,1,0,1,0,0|2,0,0]=4 5087 B11R1.47 CC/C=C\CSCC1CCC1 62a_100000763275_100103147603 [0,1,0,1,0,0|1,0,1]=4 5088 B11R1.47 CC/C=C\CSCC1CCC1 62a_100103147603_100000763275 [0,1,0,1,0,0|1,0,1]=4 5089 B11R1.47 CC/C=C\CSCC1CCO1 62a_100000103362_100103147603 [0,1,0,1,0,0|0,0,2]=4 5090 B11R1.47 CC/C=C\CSCC1CCO1 62a_100103147603_100000103362 [0,1,0,1,0,0|0,0,2]=4 5091 B11R1.47 CC/C=C\CSCC1COC1 62a_100010264016_100103147603 [0,1,0,1,0,0|2,0,0]=4 5092 B11R1.47 CC/C=C\CSCC1COC1 62a_100103147603_100010264016 [0,1,0,1,0,0|2,0,0]=4 5093 B11R1.47 O=CCCCCCN1CCC1 269982a_100000754969_100000139337 [0,1,0,1,0,0|0,0,2]=4 5094 B11R1.47 O=CCCCCNC1CCC1 2230a_100000749019_100000139335 [0,1,0,1,0,0|0,0,2]=4 5095 B11R1.47 O=CCCCCNC1COC1 2230a_100016991112_100000139335 [0,1,0,1,0,0|1,0,1]=4 5096 B11R1.47 O=CCCCCOC1CSC1 7a_100000072292_100000139335 [0,1,0,1,0,0|1,0,1]=4 5097 B11R1.47 O=CCCCCSC1CCC1 62a_100000139335_100000749161 [0,1,0,1,0,0|0,0,2]=4 5098 B11R1.47 O=CCCCCSC1COC1 62a_100000139335_100009818527 [0,1,0,1,0,0|1,0,1]=4 5099 B11R1.47 O=CCCCNCC1CCC1 2230a_100000738700_200011292268 [0,1,0,1,0,0|0,0,2]=4 5100 B11R1.47 O=CCCCNC[C@@H]1CCO1 2230a_100020831831_200011292268 [0,1,0,1,0,0|1,0,1]=4 5101 B11R1.47 O=CCCCSCC1CCC1 62a_100000763275_200011292268 [0,1,0,1,0,0|0,0,2]=4 5102 B11R1.47 O=CCCCSCC1CCC1 62a_200011292268_100000763275 [0,1,0,1,0,0|0,0,2]=4 5103 B11R1.47 O=CCCCSCC1CCO1 62a_100000103362_200011292268 [0,1,0,1,0,0|1,0,1]=4 5104 B11R1.47 O=CCCCSCC1CCO1 62a_200011292268_100000103362 [0,1,0,1,0,0|1,0,1]=4 5105 B11R1.190 C/C=C/CCOC1CCC1=O 34a_100016278192_100009892977 [0,1,0,1,0,0|0,0,2]=4 5106 B11R1.190 CC/C=C\CCN1CCC1C 269982a_100000755817_100015370543 [0,1,0,1,0,0|1,0,1]=4 5107 B11R1.190 CC/C=C\CCN1CCC1C 34a_100000755817_100015370543 [0,1,0,1,0,0|1,0,1]=4 5108 B11R1.190 CC/C=C\COC1CCC1=O 34a_100016268518_100009892977 [0,1,0,1,0,0|0,0,0]=2 5109 B11R1.190 CC/C=C\CSC1CCC1=O 62a_100009892977_100103147603 [0,1,0,1,0,0|0,0,0]=2 5110 B11R1.190 CC/C=C\CSC1CCC1=O 62a_100103147603_100009892977 [0,1,0,1,0,0|0,0,0]=2 5111 B11R1.190 CC1CCN1CCCCC=O 269982a_100000755817_100000139335 [0,1,0,1,0,0|0,0,2]=4 5112 B11R1.190 CCC#CCOC1CCC1=O 34a_100000032950_100009892977 [0,1,0,1,0,0|0,0,2]=4 5113 B11R1.190 CCC#CCSC1CCC1=O 62a_100009813939_100009892977 [0,1,0,1,0,0|0,0,2]=4 5114 B11R1.190 CCC#CCSC1CCC1=O 62a_100009892977_100009813939 [0,1,0,1,0,0|0,0,2]=4 5115 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [0,1,0,1,0,0|0,0,2]=4 5116 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [0,1,0,1,0,0|0,0,2]=4 5117 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [0,1,0,1,0,0|0,0,2]=4 5118 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [0,1,0,1,0,0|0,0,2]=4 5119 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [0,1,0,1,0,0|0,0,2]=4 5120 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [0,1,0,1,0,0|0,0,2]=4 5121 B11R1.190 CCOCCNC1CCC1=O 34a_102516460346_100009892977 [0,1,0,1,0,0|1,0,1]=4 5122 B11R1.190 CCOCCOC1CCC1=O 34a_100000210136_100009892977 [0,1,0,1,0,0|1,0,1]=4 5123 B11R1.190 CCOCCOC1CCC1=O 7a_100000210136_100009892977 [0,1,0,1,0,0|1,0,1]=4 5124 B11R1.190 CCOCCSC1CCC1=O 62a_100000210147_100009892977 [0,1,0,1,0,0|1,0,1]=4 5125 B11R1.190 CCOCCSC1CCC1=O 62a_100009892977_100011215890 [0,1,0,1,0,0|1,0,1]=4 5126 B11R1.190 CCSCCOC1CCC1=O 34a_100000212035_100009892977 [0,1,0,1,0,0|1,0,1]=4 5127 B11R1.190 CCSCCOC1CCC1=O 7a_100000212035_100009892977 [0,1,0,1,0,0|1,0,1]=4 5128 B11R1.190 CCSCCSC1CCC1=O 62a_100000757381_100009892977 [0,1,0,1,0,0|1,0,1]=4 5129 B11R1.190 CCSCCSC1CCC1=O 62a_100009892977_100000757381 [0,1,0,1,0,0|1,0,1]=4 5130 B11R1.190 COCSCCC1CCC1=O 62a_100000766300_200016118888 [0,1,0,1,0,0|1,0,1]=4 5131 B11R1.190 COCSCCC1CCC1=O 62a_200016118888_100000766300 [0,1,0,1,0,0|1,0,1]=4 5132 B11R1.190 CSCSCCC1CCC1=O 62a_100011218213_200016118888 [0,1,0,1,0,0|1,0,1]=4 5133 B11R1.190 CSCSCCC1CCC1=O 62a_200016118888_100011218213 [0,1,0,1,0,0|1,0,1]=4 5134 B11R1.190 O=C1CCC1CCNCCO 2230a_100016997473_200016118888 [0,1,0,1,0,0|1,0,1]=4 5135 B11R1.190 O=C1CCC1CCSCCF 62a_100011217306_200016118888 [0,1,0,1,0,0|1,0,1]=4 5136 B11R1.190 O=C1CCC1CCSCCF 62a_200016118888_100011217306 [0,1,0,1,0,0|1,0,1]=4 5137 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [0,1,0,1,0,0|1,0,1]=4 5138 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [0,1,0,1,0,0|1,0,1]=4 5139 B11R1.190 O=CCCCSC1CCC1=O 62a_100009892977_200011292268 [0,1,0,1,0,0|1,0,1]=4 5140 B11R1.190 O=CCCCSC1CCC1=O 62a_200011292268_100009892977 [0,1,0,1,0,0|1,0,1]=4 5141 B11R1.190 O=CCSCCC1CCC1=O 62a_200015260668_200016118888 [0,1,0,1,0,0|1,0,1]=4 5142 B11R1.190 O=CCSCCC1CCC1=O 62a_200016118888_200015260668 [0,1,0,1,0,0|1,0,1]=4 5143 B11R1.203 CCNN=C1C=CCCCC1 4a_100000756455_100000742933 [0,1,0,1,0,0|2,0,0]=4 5144 B11R1.203 O=CCNC1CCCCCC1 2230a_100000210984_200015260668 [0,1,0,1,0,0|0,0,2]=4 5145 B11R1.203 O=CCNC1CCCCCC1 34a_100000210984_200009817547 [0,1,0,1,0,0|0,0,2]=4 5146 B11R1.203 O=CCOC1CCCCCC1 34a_100000210887_200009817547 [0,1,0,1,0,0|0,0,2]=4 5147 B11R1.203 O=CCOC1CCCCCC1 7a_100000210887_200015260668 [0,1,0,1,0,0|0,0,2]=4 5148 B11R1.203 O=CCSC1CCCCCC1 62a_100011217769_200015260668 [0,1,0,1,0,0|0,0,2]=4 5149 B11R1.203 O=CCSC1CCCCCC1 62a_200015260668_100011217769 [0,1,0,1,0,0|0,0,2]=4 5150 B11R1.1 C=CCCN1CC=C(CC1)C 2230a_100000693516_100000754431 [0,1,0,1,0,0|2,0,0]=4 5151 B11R1.1 C=CCCN1CC=C(CC1)C 269982a_100000693516_100000754431 [0,1,0,1,0,0|2,0,0]=4 5152 B11R1.1 C=CCCN1CC=C(CC1)C 34a_100000693516_100000754431 [0,1,0,1,0,0|2,0,0]=4 5153 B11R1.1 O=CCNC1CCC(=O)NC1 2230a_100000748762_200015260668 [0,1,0,1,0,0|2,0,0]=4 5154 B11R1.1 O=CCNC1CCC(=O)NC1 34a_100000748762_200009817547 [0,1,0,1,0,0|2,0,0]=4 5155 B11R1.1 O=CCOC1CCC(=O)CC1 34a_100000764474_200009817547 [0,1,0,1,0,0|1,0,1]=4 5156 B11R1.1 O=CCOC1CCC(=O)CC1 7a_100000764474_200015260668 [0,1,0,1,0,0|1,0,1]=4 5157 B11R1.1 O=CCOC1CCC(=O)NC1 34a_100000079199_200009817547 [0,1,0,1,0,0|2,0,0]=4 5158 B11R1.13 CC1C(=O)NCCN1CC=O 2230a_100000750721_200015260668 [0,1,0,1,0,0|2,0,0]=4 5159 B11R1.13 CC1C(=O)NCCN1CC=O 269982a_100000750721_200015260668 [0,1,0,1,0,0|2,0,0]=4 5160 B11R1.13 CC1C(=O)NCCN1CC=O 34a_100000750721_200009817547 [0,1,0,1,0,0|2,0,0]=4 5161 B11R1.40 C=CC(O)CN1CC=CCC1 2230a_100000698166_100000730141 [0,1,0,1,0,0|2,0,0]=4 5162 B11R1.40 C=CC(O)CN1CC=CCC1 34a_100000698166_100000730141 [0,1,0,1,0,0|2,0,0]=4 5163 B11R1.222 CCC(=O)C1CCCCC1=O 1458a_100000210414_100000204591 [0,1,0,1,0,0|0,0,1]=3 5164 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000087122_100000210202 [0,1,0,1,0,0|1,0,1]=4 5165 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000210414_100000687798 [0,1,0,1,0,0|1,0,1]=4 5166 B11R1.222 CCC(=O)C1COCCC1=O 1458a_100000210414_100012180262 [0,1,0,1,0,0|1,0,1]=4 5167 B11R1.222 CCN(C)C1CCCCC1=O 269982a_100000225621_100000204591 [0,1,0,1,0,0|1,0,1]=4 5168 B11R1.222 O=C(CO)C1CCCCC1=O 1458a_100000210174_100000204591 [0,1,0,1,0,0|1,0,1]=4 5169 B11R1.223 CCC(=O)CCC1CCC1=O 1458a_100000210414_200016118888 [0,1,0,1,0,0|0,0,1]=3 5170 B11R1.223 CCC(=O)COC1CCC1=O 34a_100000725409_100009892977 [0,1,0,1,0,0|1,0,1]=4 5171 B11R1.223 CCC(=O)CSC1CCC1=O 62a_100000747405_100009892977 [0,1,0,1,0,0|1,0,1]=4 5172 B11R1.223 CCC(=O)CSC1CCC1=O 62a_100009892977_100000747405 [0,1,0,1,0,0|1,0,1]=4 5173 B11R1.223 CCN(C)CCC1CCC1=O 2230a_100000225621_200016118888 [0,1,0,1,0,0|1,0,1]=4 5174 B11R1.223 CCN(C)CCC1CCC1=O 269982a_100000225621_200016118888 [0,1,0,1,0,0|1,0,1]=4 5175 B11R1.223 O=C(CO)CCC1CCC1=O 1458a_100000210174_200016118888 [0,1,0,1,0,0|1,0,1]=4 5176 B11R1.228 CCC(=O)CN1CCCC1=O 1458a_100000189602_100000210202 [0,1,0,1,0,0|1,0,1]=4 5177 B11R1.228 CCC(=O)NC1CCNC1=O 11a_100016995588_100000210414 [0,1,0,1,0,0|2,0,0]=4 5178 B11R1.228 CCC(=O)NC1CCNC1=O 1626a_100016995588_100000210414 [0,1,0,1,0,0|2,0,0]=4 5179 B11R1.228 CCC(=O)NC1CCNC1=O 240690a_100016995588_100000210414 [0,1,0,1,0,0|2,0,0]=4 5180 B11R1.228 CCC(=O)NC1CCNC1=O 527a_100016995588_100000210414 [0,1,0,1,0,0|2,0,0]=4 5181 B11R1.228 CCC(=O)NC1CCSC1=O 11a_100000184058_100000210414 [0,1,0,1,0,0|2,0,0]=4 5182 B11R1.228 CCC(=O)NC1CCSC1=O 1626a_100000184058_100000210414 [0,1,0,1,0,0|2,0,0]=4 5183 B11R1.228 CCC(=O)NC1CCSC1=O 240690a_100000184058_100000210414 [0,1,0,1,0,0|2,0,0]=4 5184 B11R1.228 CCC(=O)NC1CCSC1=O 527a_100000184058_100000210414 [0,1,0,1,0,0|2,0,0]=4 5185 B11R1.228 CCC(C)NC1CCCC1=O 2230a_100000209981_100000211823 [0,1,0,1,0,0|1,0,1]=4 5186 B11R1.228 CCC(C)OC1CCCC1=O 34a_200000719330_100011215416 [0,1,0,1,0,0|1,0,1]=4 5187 B11R1.228 CCC(C)OC1CCCC1=O 7a_100000210228_100000211823 [0,1,0,1,0,0|1,0,1]=4 5188 B11R1.228 CCC(C)SC1CCCC1=O 62a_100000211823_100000758301 [0,1,0,1,0,0|1,0,1]=4 5189 B11R1.228 CCC(C)SC1CCCC1=O 62a_100000758301_100000211823 [0,1,0,1,0,0|1,0,1]=4 5190 B11R1.320 CC1(CC1)NCCCCC=O 2230a_100000757604_100000139335 [0,1,0,1,0,0|1,0,1]=4 5191 B11R1.320 CC1(CC1)OCCCCC=O 7a_100011725673_100000139335 [0,1,0,1,0,0|1,0,1]=4 5192 B11R1.286 CCC=CC(=O)C1CCC1=O 1458a_100000212282_100009892977 [0,1,0,1,0,0|0,0,1]=3 5193 B11R1.286 COC=CC(=O)C1CCC1=O 1458a_100016268678_100009892977 [0,1,0,1,0,0|1,0,1]=4 5194 B11R2.248 C=CCN1CC2C=CC1C2 2230a_100000732668_100000210623 [0,0,0,2,0,0|2,0,0]=4 5195 B11R2.248 C=CCN1CC2C=CC1C2 269982a_100000732668_100000210623 [0,0,0,2,0,0|2,0,0]=4 5196 B11R2.248 C=CCN1CC2C=CC1C2 34a_100000732668_100015514636 [0,0,0,2,0,0|2,0,0]=4 5197 B11R2.248 CNCC1CC2C=CC1C2 2230a_100000189500_200000210301 [0,0,0,2,0,0|2,0,0]=4 5198 B11R2.248 CNCC1CC2C=CC1C2 2230a_106832991635_200009814271 [0,0,0,2,0,0|2,0,0]=4 5199 B11R2.248 CNCC1CC2C=CC1C2 34a_100000189500_200000210301 [0,0,0,2,0,0|2,0,0]=4 5200 B11R2.248 CNCC1CC2C=CC1C2 34a_100102657272_200009814271 [0,0,0,2,0,0|2,0,0]=4 5201 B11R2.248 CNCC1CC2C=CC1C2 7a_106832991635_100000139495 [0,0,0,2,0,0|2,0,0]=4 5202 B11R2.248 COCC1CC2C=CC1C2 34a_100011215361_200000210301 [0,0,0,2,0,0|2,0,0]=4 5203 B11R2.248 COCC1CC2C=CC1C2 34a_100138415774_200009814271 [0,0,0,2,0,0|2,0,0]=4 5204 B11R2.248 CSCC1CC2C=CC1C2 62a_100000139495_200000210301 [0,0,0,2,0,0|2,0,0]=4 5205 B11R2.248 CSCC1CC2C=CC1C2 62a_200000210301_100000139495 [0,0,0,2,0,0|2,0,0]=4 5206 B11R2.248 O=CCN1CC2C=CC1C2 2230a_100000732668_200015260668 [0,0,0,2,0,0|1,0,0]=3 5207 B11R2.248 O=CCN1CC2C=CC1C2 269982a_100000732668_200015260668 [0,0,0,2,0,0|1,0,0]=3 5208 B11R2.248 O=CCN1CC2C=CC1C2 34a_100000732668_200009817547 [0,0,0,2,0,0|1,0,0]=3 5209 B11R2.248 [13CH3]NCC1CC2C=CC1C2 2230a_100000189500_200025704644 [0,0,0,2,0,0|2,0,0]=4 5210 B11R2.248 [13CH3]NCC1CC2C=CC1C2 34a_100000189500_200025704644 [0,0,0,2,0,0|2,0,0]=4 5211 B11R2.248 [13CH3]OCC1CC2C=CC1C2 34a_100011215361_200025704644 [0,0,0,2,0,0|2,0,0]=4 5212 B11R2.248 [13CH3]SCC1CC2C=CC1C2 62a_100000139495_200025704644 [0,0,0,2,0,0|2,0,0]=4 5213 B11R2.248 [13CH3]SCC1CC2C=CC1C2 62a_200025704644_100000139495 [0,0,0,2,0,0|2,0,0]=4 5214 B11R2.115 O=C1CCCC1NC2CC2 34a_100000212008_100000709159 [0,0,0,2,0,0|1,0,1]=4 5215 B11R2.115 O=C1CCCC1OC2CC2 34a_200000719330_100000211595 [0,0,0,2,0,0|1,0,1]=4 5216 B11R2.115 O=C1CCCC1SC2CC2 62a_100000211823_100000211595 [0,0,0,2,0,0|1,0,1]=4 5217 B11R2.459 O=C1CCCC1N2CCC2 269982a_100000754969_100000211823 [0,0,0,2,0,0|1,0,1]=4