0 B9R0.45 C#CCCCCNCCO 2230a_100000706060_100000211926 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.45 C#CCCCCNCCO 2230a_100016997473_100010269958 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.45 C#CCCCCNCCO 34a_100000706060_100000211926 [0,0,0,0,0,0|1,0,3]=4 3 B9R0.45 C#CCCCCNCCO 34a_100016990907_100010269958 [0,0,0,0,0,0|1,0,3]=4 4 B9R0.45 C#CCCCCOCCO 34a_100000766709_100000211926 [0,0,0,0,0,0|1,0,3]=4 5 B9R0.45 C#CCCCCOCCO 7a_100000766709_100000211926 [0,0,0,0,0,0|1,0,3]=4 6 B9R0.45 C#CCCCCSCCO 62a_100000211926_100010269958 [0,0,0,0,0,0|1,0,3]=4 7 B9R0.45 C#CCCCCSCCO 62a_100010269958_100000211926 [0,0,0,0,0,0|1,0,3]=4 8 B9R0.45 C#CCCCNCCCO 34a_100000718082_100000230001 [0,0,0,0,0,0|1,0,3]=4 9 B9R0.45 C#CCCCOCCCO 34a_100000215630_100000230001 [0,0,0,0,0,0|1,0,3]=4 10 B9R0.45 C#CCCCOCCCO 7a_100000215630_100011215043 [0,0,0,0,0,0|1,0,3]=4 11 B9R0.45 C#CCCCSCCCO 62a_100011215043_100011215417 [0,0,0,0,0,0|1,0,3]=4 12 B9R0.45 C#CCCCSCCCO 62a_100011215417_100011215043 [0,0,0,0,0,0|1,0,3]=4 13 B9R0.45 C#CCCNCCCCC 2230a_100000209983_100000688953 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.45 C#CCCNCCCCC 34a_100000755551_100000718602 [0,0,0,0,0,0|2,0,2]=4 15 B9R0.45 C#CCCOCCCCC 34a_100000210253_100000688953 [0,0,0,0,0,0|2,0,2]=4 16 B9R0.45 C#CCCOCCCCC 34a_100011215631_100000718602 [0,0,0,0,0,0|2,0,2]=4 17 B9R0.45 C#CCCOCCCCC 7a_100000210253_100000688953 [0,0,0,0,0,0|2,0,2]=4 18 B9R0.45 C#CCCSCCCCC 62a_100000210326_100000688953 [0,0,0,0,0,0|2,0,2]=4 19 B9R0.45 C#CCCSCCCCC 62a_100000688953_100000210326 [0,0,0,0,0,0|2,0,2]=4 20 B9R0.45 C#CCNCCCCCC 2230a_100000210581_100000038162 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.45 C#CCNCCCCCC 34a_100000212058_100000210314 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.45 C#CCOC/C=C/CCC 34a_100016278788_100000184674 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.45 C#CCOC/C=C/CCC 7a_100016278788_100000038162 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [0,0,0,0,0,0|2,0,2]=4 26 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [0,0,0,0,0,0|2,0,2]=4 27 B9R0.45 C#CCSCCCCCC 62a_100000038162_100000210757 [0,0,0,0,0,0|2,0,2]=4 28 B9R0.45 C/C=C/C=C/COCCC 34a_100016283227_100000210303 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.45 C/C=C/CCOCCCO 34a_100016278192_100000230001 [0,0,0,0,0,0|1,0,3]=4 30 B9R0.45 C=CCCC/C=C/COC 34a_200016268473_200000210301 [0,0,0,0,0,0|2,0,2]=4 31 B9R0.45 C=CCCC/C=C/COC 7a_200016268473_200000210301 [0,0,0,0,0,0|2,0,2]=4 32 B9R0.45 C=CCCC/C=C/CO[13CH3] 34a_200016268473_200025704644 [0,0,0,0,0,0|2,0,2]=4 33 B9R0.45 C=CCCC/C=C/CO[13CH3] 7a_200016268473_200025704644 [0,0,0,0,0,0|2,0,2]=4 34 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [0,0,0,0,0,0|1,0,3]=4 35 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [0,0,0,0,0,0|1,0,3]=4 36 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [0,0,0,0,0,0|1,0,3]=4 37 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [0,0,0,0,0,0|1,0,3]=4 38 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [0,0,0,0,0,0|1,0,3]=4 39 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [0,0,0,0,0,0|1,0,3]=4 40 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [0,0,0,0,0,0|1,0,3]=4 41 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [0,0,0,0,0,0|1,0,3]=4 42 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [0,0,0,0,0,0|1,0,3]=4 43 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [0,0,0,0,0,0|1,0,3]=4 44 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [0,0,0,0,0,0|1,0,3]=4 45 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [0,0,0,0,0,0|1,0,3]=4 46 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [0,0,0,0,0,0|1,0,3]=4 47 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [0,0,0,0,0,0|1,0,3]=4 48 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [0,0,0,0,0,0|2,0,2]=4 49 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [0,0,0,0,0,0|2,0,2]=4 50 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [0,0,0,0,0,0|2,0,2]=4 51 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [0,0,0,0,0,0|2,0,2]=4 52 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [0,0,0,0,0,0|2,0,2]=4 53 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [0,0,0,0,0,0|2,0,2]=4 54 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [0,0,0,0,0,0|2,0,2]=4 55 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [0,0,0,0,0,0|2,0,2]=4 56 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [0,0,0,0,0,0|2,0,2]=4 57 B9R0.45 C=CCOC/C=C/CCC 34a_100016278788_100015514636 [0,0,0,0,0,0|2,0,2]=4 58 B9R0.45 C=CCOC/C=C/CCC 7a_100016278788_100015514636 [0,0,0,0,0,0|2,0,2]=4 59 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [0,0,0,0,0,0|2,0,2]=4 60 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [0,0,0,0,0,0|2,0,2]=4 61 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [0,0,0,0,0,0|2,0,2]=4 62 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [0,0,0,0,0,0|2,0,2]=4 63 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [0,0,0,0,0,0|2,0,2]=4 64 B9R0.45 CC#CCCOCCCO 34a_100000750427_100000230001 [0,0,0,0,0,0|1,0,3]=4 65 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [0,0,0,0,0,0|2,0,2]=4 66 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [0,0,0,0,0,0|2,0,2]=4 67 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [0,0,0,0,0,0|2,0,2]=4 68 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [0,0,0,0,0,0|2,0,2]=4 69 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [0,0,0,0,0,0|2,0,2]=4 70 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [0,0,0,0,0,0|2,0,2]=4 71 B9R0.45 CC/C=C\CCNCCO 2230a_100016997473_100015370543 [0,0,0,0,0,0|1,0,3]=4 72 B9R0.45 CC/C=C\CCNCCO 34a_100016990907_100015370543 [0,0,0,0,0,0|1,0,3]=4 73 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [0,0,0,0,0,0|2,0,2]=4 74 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [0,0,0,0,0,0|2,0,2]=4 75 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [0,0,0,0,0,0|2,0,2]=4 76 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [0,0,0,0,0,0|1,0,3]=4 77 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [0,0,0,0,0,0|1,0,3]=4 78 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [0,0,0,0,0,0|2,0,2]=4 79 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [0,0,0,0,0,0|2,0,2]=4 80 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [0,0,0,0,0,0|1,0,3]=4 81 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [0,0,0,0,0,0|1,0,3]=4 82 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [0,0,0,0,0,0|2,0,2]=4 83 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [0,0,0,0,0,0|2,0,2]=4 84 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [0,0,0,0,0,0|2,0,2]=4 85 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [0,0,0,0,0,0|2,0,2]=4 86 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [0,0,0,0,0,0|2,0,2]=4 87 B9R0.45 CC/C=C\COCCCO 34a_100016268518_100000230001 [0,0,0,0,0,0|1,0,3]=4 88 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [0,0,0,0,0,0|2,0,2]=4 89 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [0,0,0,0,0,0|2,0,2]=4 90 B9R0.45 CC/C=C\CSCCCO 62a_100011215043_100103147603 [0,0,0,0,0,0|1,0,3]=4 91 B9R0.45 CC/C=C\CSCCCO 62a_100103147603_100011215043 [0,0,0,0,0,0|1,0,3]=4 92 B9R0.45 CC=CCCCOCCO 34a_100020645299_100000211926 [0,0,0,0,0,0|1,0,3]=4 93 B9R0.45 CCC#CCCOCCO 34a_100000036655_100000211926 [0,0,0,0,0,0|1,0,3]=4 94 B9R0.45 CCC#CCCOCCO 7a_100000036655_100000211926 [0,0,0,0,0,0|1,0,3]=4 95 B9R0.45 CCC#CCOCCCO 34a_100000032950_100000230001 [0,0,0,0,0,0|1,0,3]=4 96 B9R0.45 CCC#CCSCCCO 62a_100009813939_100011215043 [0,0,0,0,0,0|1,0,3]=4 97 B9R0.45 CCC#CCSCCCO 62a_100011215043_100009813939 [0,0,0,0,0,0|1,0,3]=4 98 B9R0.45 CCC/C=C/C=C/COC 34a_100016294078_200000210301 [0,0,0,0,0,0|2,0,2]=4 99 B9R0.45 CCC/C=C/C=C/CO[13CH3] 34a_100016294078_200025704644 [0,0,0,0,0,0|2,0,2]=4 100 B9R0.45 CCC/C=C/COCC#N 7a_100016278788_100011215382 [0,0,0,0,0,0|3,0,1]=4 101 B9R0.45 CCC/C=C/COCC=O 34a_100016278788_200009817547 [0,0,0,0,0,0|3,0,1]=4 102 B9R0.45 CCC/C=C/COCC=O 7a_100016278788_200015260668 [0,0,0,0,0,0|3,0,1]=4 103 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [0,0,0,0,0,0|2,0,0]=2 104 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [0,0,0,0,0,0|2,0,0]=2 105 B9R0.45 CCC/C=C/COCCF 34a_100016278788_100011217306 [0,0,0,0,0,0|3,0,0]=3 106 B9R0.45 CCC/C=C/COCCF 7a_100016278788_100011217306 [0,0,0,0,0,0|3,0,0]=3 107 B9R0.45 CCC/C=C/COCCO 34a_100016278788_100000211926 [0,0,0,0,0,0|3,0,0]=3 108 B9R0.45 CCC/C=C/COCCO 7a_100016278788_100000211926 [0,0,0,0,0,0|3,0,0]=3 109 B9R0.45 CCC/C=C/COCSC 34a_100016278788_100011218213 [0,0,0,0,0,0|3,0,0]=3 110 B9R0.45 CCC=CC=NNCCC 4a_100000740057_100011216943 [0,0,0,0,0,0|3,0,1]=4 111 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [0,0,0,0,0,0|3,0,1]=4 112 B9R0.45 CCCC#CCCOCC 34a_100000042726_100000210202 [0,0,0,0,0,0|2,0,2]=4 113 B9R0.45 CCCC#CCCOCC 7a_100000042726_100000210202 [0,0,0,0,0,0|2,0,2]=4 114 B9R0.45 CCCC#CCOCCC 34a_100000034806_100000210303 [0,0,0,0,0,0|2,0,2]=4 115 B9R0.45 CCCC#CCOCCC 7a_100000034806_100000210303 [0,0,0,0,0,0|2,0,2]=4 116 B9R0.45 CCCC#CCOCCO 34a_100000034806_100000211926 [0,0,0,0,0,0|1,0,3]=4 117 B9R0.45 CCCC#CCOCCO 7a_100000034806_100000211926 [0,0,0,0,0,0|1,0,3]=4 118 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [0,0,0,0,0,0|2,0,2]=4 119 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [0,0,0,0,0,0|2,0,2]=4 120 B9R0.45 CCCC/C=C/COCF 34a_200016272032_100015361967 [0,0,0,0,0,0|2,0,2]=4 121 B9R0.45 CCCC/C=C/COCF 7a_200016272032_100015361967 [0,0,0,0,0,0|2,0,2]=4 122 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [0,0,0,0,0,0|2,0,2]=4 123 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [0,0,0,0,0,0|2,0,2]=4 124 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [0,0,0,0,0,0|2,0,2]=4 125 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [0,0,0,0,0,0|2,0,2]=4 126 B9R0.45 CCCC=CC=NNCC 4a_100000756455_100016266791 [0,0,0,0,0,0|3,0,1]=4 127 B9R0.45 CCCC=NNCCCC 4a_100025702795_100000185831 [0,0,0,0,0,0|3,0,0]=3 128 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [0,0,0,0,0,0|2,0,0]=2 129 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [0,0,0,0,0,0|2,0,0]=2 130 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [0,0,0,0,0,0|2,0,0]=2 131 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [0,0,0,0,0,0|2,0,0]=2 132 B9R0.45 CCCCC=NNCCC 4a_100000740057_100000210104 [0,0,0,0,0,0|3,0,1]=4 133 B9R0.45 CCCCC=NNCCO 4a_100000210001_100000210104 [0,0,0,0,0,0|2,0,1]=3 134 B9R0.45 CCCCCC#CCNC 2230a_106832991635_100009816472 [0,0,0,0,0,0|2,0,2]=4 135 B9R0.45 CCCCCC#CCNC 34a_100102657272_100009816472 [0,0,0,0,0,0|2,0,2]=4 136 B9R0.45 CCCCCC#CCNC 7a_106832991635_100009816472 [0,0,0,0,0,0|2,0,2]=4 137 B9R0.45 CCCCCC#CCOC 34a_100138415774_100009816472 [0,0,0,0,0,0|2,0,2]=4 138 B9R0.45 CCCCCC#CCOC 34a_200000033628_200000210301 [0,0,0,0,0,0|2,0,2]=4 139 B9R0.45 CCCCCC#CCOC 7a_200000033628_200000210301 [0,0,0,0,0,0|2,0,2]=4 140 B9R0.45 CCCCCC#CCO[13CH3] 34a_200000033628_200025704644 [0,0,0,0,0,0|2,0,2]=4 141 B9R0.45 CCCCCC#CCO[13CH3] 7a_200000033628_200025704644 [0,0,0,0,0,0|2,0,2]=4 142 B9R0.45 CCCCCC#CCSC 62a_100009816472_200000210301 [0,0,0,0,0,0|2,0,2]=4 143 B9R0.45 CCCCCC#CCSC 62a_200000210301_100009816472 [0,0,0,0,0,0|2,0,2]=4 144 B9R0.45 CCCCCC#CCS[13CH3] 62a_100009816472_200025704644 [0,0,0,0,0,0|2,0,2]=4 145 B9R0.45 CCCCCC#CCS[13CH3] 62a_200025704644_100009816472 [0,0,0,0,0,0|2,0,2]=4 146 B9R0.45 CCCCCC=NNCC 4a_100000756455_100000737632 [0,0,0,0,0,0|3,0,0]=3 147 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [0,0,0,0,0,0|2,0,2]=4 148 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [0,0,0,0,0,0|2,0,2]=4 149 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [0,0,0,0,0,0|2,0,2]=4 150 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [0,0,0,0,0,0|2,0,2]=4 151 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [0,0,0,0,0,0|2,0,2]=4 152 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [0,0,0,0,0,0|2,0,2]=4 153 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [0,0,0,0,0,0|2,0,2]=4 154 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [0,0,0,0,0,0|2,0,2]=4 155 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [0,0,0,0,0,0|2,0,2]=4 156 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [0,0,0,0,0,0|2,0,2]=4 157 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [0,0,0,0,0,0|2,0,2]=4 158 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [0,0,0,0,0,0|2,0,2]=4 159 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [0,0,0,0,0,0|2,0,2]=4 160 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [0,0,0,0,0,0|2,0,2]=4 161 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [0,0,0,0,0,0|2,0,2]=4 162 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [0,0,0,0,0,0|2,0,2]=4 163 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [0,0,0,0,0,0|2,0,2]=4 164 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [0,0,0,0,0,0|2,0,2]=4 165 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [0,0,0,0,0,0|2,0,2]=4 166 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [0,0,0,0,0,0|2,0,2]=4 167 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [0,0,0,0,0,0|2,0,2]=4 168 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [0,0,0,0,0,0|2,0,2]=4 169 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [0,0,0,0,0,0|2,0,2]=4 170 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [0,0,0,0,0,0|2,0,2]=4 171 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [0,0,0,0,0,0|2,0,2]=4 172 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [0,0,0,0,0,0|2,0,2]=4 173 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [0,0,0,0,0,0|2,0,2]=4 174 B9R0.45 CCCCCCNCC#N 2230a_100000210581_100011215382 [0,0,0,0,0,0|2,0,2]=4 175 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [0,0,0,0,0,0|1,0,3]=4 176 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [0,0,0,0,0,0|2,0,1]=3 177 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [0,0,0,0,0,0|2,0,1]=3 178 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [0,0,0,0,0,0|2,0,1]=3 179 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [0,0,0,0,0,0|1,0,1]=2 180 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [0,0,0,0,0,0|1,0,1]=2 181 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [0,0,0,0,0,0|1,0,1]=2 182 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [0,0,0,0,0,0|3,0,1]=4 183 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [0,0,0,0,0,0|3,0,1]=4 184 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [0,0,0,0,0,0|2,0,2]=4 185 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [0,0,0,0,0,0|1,0,3]=4 186 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [0,0,0,0,0,0|1,0,3]=4 187 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [0,0,0,0,0,0|2,0,1]=3 188 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [0,0,0,0,0,0|2,0,1]=3 189 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [0,0,0,0,0,0|2,0,1]=3 190 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [0,0,0,0,0,0|2,0,1]=3 191 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [0,0,0,0,0,0|2,0,1]=3 192 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [0,0,0,0,0,0|2,0,1]=3 193 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [0,0,0,0,0,0|2,0,1]=3 194 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [0,0,0,0,0,0|1,0,1]=2 195 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [0,0,0,0,0,0|1,0,1]=2 196 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [0,0,0,0,0,0|3,0,1]=4 197 B9R0.45 CCCCCCSCC#N 62a_100000210314_100011215382 [0,0,0,0,0,0|2,0,2]=4 198 B9R0.45 CCCCCCSCC#N 62a_100011215382_100000210757 [0,0,0,0,0,0|2,0,2]=4 199 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [0,0,0,0,0,0|1,0,3]=4 200 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [0,0,0,0,0,0|1,0,3]=4 201 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [0,0,0,0,0,0|2,0,1]=3 202 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [0,0,0,0,0,0|2,0,1]=3 203 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [0,0,0,0,0,0|2,0,1]=3 204 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [0,0,0,0,0,0|2,0,1]=3 205 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [0,0,0,0,0,0|1,0,1]=2 206 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [0,0,0,0,0,0|1,0,1]=2 207 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [0,0,0,0,0,0|3,0,1]=4 208 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [0,0,0,0,0,0|3,0,1]=4 209 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [0,0,0,0,0,0|3,0,1]=4 210 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [0,0,0,0,0,0|3,0,1]=4 211 B9R0.45 CCCCCNCCC#N 2230a_100000209983_100011215226 [0,0,0,0,0,0|2,0,2]=4 212 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [0,0,0,0,0,0|2,0,1]=3 213 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [0,0,0,0,0,0|2,0,1]=3 214 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [0,0,0,0,0,0|2,0,1]=3 215 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [0,0,0,0,0,0|2,0,1]=3 216 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [0,0,0,0,0,0|2,0,1]=3 217 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [0,0,0,0,0,0|2,0,1]=3 218 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [0,0,0,0,0,0|1,0,1]=2 219 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [0,0,0,0,0,0|3,0,1]=4 220 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [0,0,0,0,0,0|3,0,1]=4 221 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [0,0,0,0,0,0|3,0,1]=4 222 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [0,0,0,0,0,0|3,0,1]=4 223 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [0,0,0,0,0,0|3,0,1]=4 224 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [0,0,0,0,0,0|3,0,1]=4 225 B9R0.45 CCCCCOCCC#N 7a_100000210253_100000184422 [0,0,0,0,0,0|2,0,2]=4 226 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [0,0,0,0,0,0|2,0,1]=3 227 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [0,0,0,0,0,0|2,0,1]=3 228 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [0,0,0,0,0,0|2,0,1]=3 229 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [0,0,0,0,0,0|2,0,1]=3 230 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [0,0,0,0,0,0|2,0,1]=3 231 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [0,0,0,0,0,0|2,0,1]=3 232 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [0,0,0,0,0,0|2,0,1]=3 233 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [0,0,0,0,0,0|2,0,1]=3 234 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [0,0,0,0,0,0|2,0,1]=3 235 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [0,0,0,0,0,0|2,0,1]=3 236 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [0,0,0,0,0,0|1,0,1]=2 237 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [0,0,0,0,0,0|1,0,1]=2 238 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [0,0,0,0,0,0|3,0,1]=4 239 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [0,0,0,0,0,0|3,0,1]=4 240 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [0,0,0,0,0,0|3,0,1]=4 241 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [0,0,0,0,0,0|3,0,1]=4 242 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [0,0,0,0,0,0|3,0,1]=4 243 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [0,0,0,0,0,0|3,0,1]=4 244 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [0,0,0,0,0,0|3,0,1]=4 245 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [0,0,0,0,0,0|3,0,1]=4 246 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [0,0,0,0,0,0|3,0,1]=4 247 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [0,0,0,0,0,0|3,0,1]=4 248 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [0,0,0,0,0,0|3,0,1]=4 249 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [0,0,0,0,0,0|3,0,1]=4 250 B9R0.45 CCCCCSCCC#N 62a_100000210326_100011215226 [0,0,0,0,0,0|2,0,2]=4 251 B9R0.45 CCCCCSCCC#N 62a_100011215226_100000210326 [0,0,0,0,0,0|2,0,2]=4 252 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [0,0,0,0,0,0|2,0,1]=3 253 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [0,0,0,0,0,0|2,0,1]=3 254 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [0,0,0,0,0,0|2,0,1]=3 255 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [0,0,0,0,0,0|2,0,1]=3 256 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [0,0,0,0,0,0|1,0,1]=2 257 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [0,0,0,0,0,0|1,0,1]=2 258 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [0,0,0,0,0,0|3,0,1]=4 259 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [0,0,0,0,0,0|3,0,1]=4 260 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [0,0,0,0,0,0|3,0,1]=4 261 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [0,0,0,0,0,0|3,0,1]=4 262 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [0,0,0,0,0,0|3,0,1]=4 263 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [0,0,0,0,0,0|3,0,1]=4 264 B9R0.45 CCCCNCC#CCO 2230a_100000102301_200000047223 [0,0,0,0,0,0|1,0,3]=4 265 B9R0.45 CCCCNCC#CCO 7a_106832991798_200000047223 [0,0,0,0,0,0|1,0,3]=4 266 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [0,0,0,0,0,0|2,0,2]=4 267 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [0,0,0,0,0,0|2,0,2]=4 268 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [0,0,0,0,0,0|1,0,2]=3 269 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [0,0,0,0,0,0|1,0,2]=3 270 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [0,0,0,0,0,0|1,0,2]=3 271 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [0,0,0,0,0,0|1,0,2]=3 272 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [0,0,0,0,0,0|3,0,1]=4 273 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [0,0,0,0,0,0|3,0,1]=4 274 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [0,0,0,0,0,0|3,0,1]=4 275 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [0,0,0,0,0,0|3,0,1]=4 276 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [0,0,0,0,0,0|3,0,1]=4 277 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [0,0,0,0,0,0|3,0,1]=4 278 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [0,0,0,0,0,0|3,0,1]=4 279 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [0,0,0,0,0,0|3,0,1]=4 280 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [0,0,0,0,0,0|3,0,1]=4 281 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [0,0,0,0,0,0|3,0,1]=4 282 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [0,0,0,0,0,0|3,0,1]=4 283 B9R0.45 CCCCOCC#CCO 34a_100000210227_200000047223 [0,0,0,0,0,0|1,0,3]=4 284 B9R0.45 CCCCOCC#CCO 7a_100000210227_200000047223 [0,0,0,0,0,0|1,0,3]=4 285 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [0,0,0,0,0,0|2,0,2]=4 286 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [0,0,0,0,0,0|2,0,2]=4 287 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [0,0,0,0,0,0|2,0,2]=4 288 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [0,0,0,0,0,0|2,0,2]=4 289 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [0,0,0,0,0,0|2,0,2]=4 290 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [0,0,0,0,0,0|2,0,2]=4 291 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [0,0,0,0,0,0|2,0,2]=4 292 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [0,0,0,0,0,0|2,0,2]=4 293 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [0,0,0,0,0,0|2,0,2]=4 294 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [0,0,0,0,0,0|1,0,2]=3 295 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [0,0,0,0,0,0|1,0,2]=3 296 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [0,0,0,0,0,0|3,0,1]=4 297 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [0,0,0,0,0,0|3,0,1]=4 298 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [0,0,0,0,0,0|3,0,1]=4 299 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [0,0,0,0,0,0|3,0,1]=4 300 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [0,0,0,0,0,0|3,0,1]=4 301 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [0,0,0,0,0,0|3,0,1]=4 302 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [0,0,0,0,0,0|3,0,1]=4 303 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [0,0,0,0,0,0|3,0,1]=4 304 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [0,0,0,0,0,0|3,0,1]=4 305 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [0,0,0,0,0,0|3,0,1]=4 306 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [0,0,0,0,0,0|3,0,1]=4 307 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [0,0,0,0,0,0|3,0,1]=4 308 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [0,0,0,0,0,0|3,0,1]=4 309 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [0,0,0,0,0,0|3,0,1]=4 310 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [0,0,0,0,0,0|3,0,1]=4 311 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [0,0,0,0,0,0|3,0,1]=4 312 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [0,0,0,0,0,0|3,0,1]=4 313 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [0,0,0,0,0,0|3,0,1]=4 314 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [0,0,0,0,0,0|3,0,1]=4 315 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [0,0,0,0,0,0|3,0,1]=4 316 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [0,0,0,0,0,0|3,0,1]=4 317 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [0,0,0,0,0,0|3,0,1]=4 318 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [0,0,0,0,0,0|3,0,1]=4 319 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [0,0,0,0,0,0|3,0,1]=4 320 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [0,0,0,0,0,0|3,0,1]=4 321 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [0,0,0,0,0,0|3,0,1]=4 322 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [0,0,0,0,0,0|3,0,1]=4 323 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [0,0,0,0,0,0|3,0,1]=4 324 B9R0.45 CCCCOCNCCF 34a_100000724931_100011995733 [0,0,0,0,0,0|3,0,1]=4 325 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [0,0,0,0,0,0|2,0,1]=3 326 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [0,0,0,0,0,0|2,0,1]=3 327 B9R0.45 CCCCOCOCCBr 34a_100000211926_100011995733 [0,0,0,0,0,0|3,0,1]=4 328 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [0,0,0,0,0,0|3,0,1]=4 329 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [0,0,0,0,0,0|3,0,1]=4 330 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [0,0,0,0,0,0|3,0,1]=4 331 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [0,0,0,0,0,0|3,0,1]=4 332 B9R0.45 CCCCOCSCCF 62a_100011217306_100011995733 [0,0,0,0,0,0|3,0,1]=4 333 B9R0.45 CCCCOCSCCF 62a_100011995733_100011217306 [0,0,0,0,0,0|3,0,1]=4 334 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [0,0,0,0,0,0|2,0,1]=3 335 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [0,0,0,0,0,0|2,0,1]=3 336 B9R0.45 CCCCSCC#CCO 62a_100000210211_200000047223 [0,0,0,0,0,0|1,0,3]=4 337 B9R0.45 CCCCSCC#CCO 62a_200000047223_100000210210 [0,0,0,0,0,0|1,0,3]=4 338 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [0,0,0,0,0,0|2,0,2]=4 339 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [0,0,0,0,0,0|2,0,2]=4 340 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [0,0,0,0,0,0|1,0,2]=3 341 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [0,0,0,0,0,0|1,0,2]=3 342 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [0,0,0,0,0,0|3,0,1]=4 343 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [0,0,0,0,0,0|3,0,1]=4 344 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [0,0,0,0,0,0|3,0,1]=4 345 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [0,0,0,0,0,0|3,0,1]=4 346 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [0,0,0,0,0,0|3,0,1]=4 347 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [0,0,0,0,0,0|3,0,1]=4 348 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [0,0,0,0,0,0|3,0,1]=4 349 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [0,0,0,0,0,0|3,0,1]=4 350 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [0,0,0,0,0,0|3,0,1]=4 351 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [0,0,0,0,0,0|1,0,2]=3 352 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [0,0,0,0,0,0|1,0,2]=3 353 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [0,0,0,0,0,0|3,0,1]=4 354 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [0,0,0,0,0,0|3,0,1]=4 355 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [0,0,0,0,0,0|3,0,1]=4 356 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [0,0,0,0,0,0|3,0,1]=4 357 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [0,0,0,0,0,0|2,0,1]=3 358 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [0,0,0,0,0,0|2,0,1]=3 359 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [0,0,0,0,0,0|3,0,1]=4 360 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [0,0,0,0,0,0|2,0,1]=3 361 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [0,0,0,0,0,0|2,0,2]=4 362 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [0,0,0,0,0,0|2,0,2]=4 363 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [0,0,0,0,0,0|2,0,2]=4 364 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [0,0,0,0,0,0|2,0,2]=4 365 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [0,0,0,0,0,0|2,0,2]=4 366 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [0,0,0,0,0,0|2,0,2]=4 367 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [0,0,0,0,0,0|2,0,2]=4 368 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [0,0,0,0,0,0|2,0,2]=4 369 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [0,0,0,0,0,0|1,0,2]=3 370 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [0,0,0,0,0,0|3,0,1]=4 371 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [0,0,0,0,0,0|3,0,1]=4 372 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [0,0,0,0,0,0|3,0,1]=4 373 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [0,0,0,0,0,0|3,0,1]=4 374 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [0,0,0,0,0,0|3,0,1]=4 375 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [0,0,0,0,0,0|3,0,1]=4 376 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [0,0,0,0,0,0|3,0,1]=4 377 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [0,0,0,0,0,0|3,0,1]=4 378 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [0,0,0,0,0,0|3,0,1]=4 379 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [0,0,0,0,0,0|3,0,1]=4 380 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [0,0,0,0,0,0|3,0,1]=4 381 B9R0.45 CCCOCCNCCF 2230a_100161115042_100011217306 [0,0,0,0,0,0|3,0,1]=4 382 B9R0.45 CCCOCCNCCF 34a_100000724931_100011215938 [0,0,0,0,0,0|3,0,1]=4 383 B9R0.45 CCCOCCNCCF 34a_100161115042_100011217306 [0,0,0,0,0,0|3,0,1]=4 384 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [0,0,0,0,0,0|2,0,1]=3 385 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [0,0,0,0,0,0|2,0,1]=3 386 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [0,0,0,0,0,0|2,0,1]=3 387 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [0,0,0,0,0,0|2,0,1]=3 388 B9R0.45 CCCOCCOCCBr 34a_100000211926_100011215938 [0,0,0,0,0,0|3,0,1]=4 389 B9R0.45 CCCOCCOCCBr 34a_100000692535_100000210303 [0,0,0,0,0,0|3,0,1]=4 390 B9R0.45 CCCOCCOCCBr 7a_100000692535_100000210303 [0,0,0,0,0,0|3,0,1]=4 391 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [0,0,0,0,0,0|3,0,1]=4 392 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [0,0,0,0,0,0|3,0,1]=4 393 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [0,0,0,0,0,0|3,0,1]=4 394 B9R0.45 CCCOCCOCCCl 34a_100011215305_100000210303 [0,0,0,0,0,0|3,0,1]=4 395 B9R0.45 CCCOCCOCCCl 7a_100011215305_100000210303 [0,0,0,0,0,0|3,0,1]=4 396 B9R0.45 CCCOCCOCCF 34a_100000752267_100011217306 [0,0,0,0,0,0|3,0,1]=4 397 B9R0.45 CCCOCCOCCF 34a_200015357709_100000210303 [0,0,0,0,0,0|3,0,1]=4 398 B9R0.45 CCCOCCOCCF 7a_100000752267_100011217306 [0,0,0,0,0,0|3,0,1]=4 399 B9R0.45 CCCOCCOCCF 7a_200015357709_100000210303 [0,0,0,0,0,0|3,0,1]=4 400 B9R0.45 CCCOCCOCCI 34a_100012149058_100000210303 [0,0,0,0,0,0|3,0,1]=4 401 B9R0.45 CCCOCCOCCI 7a_100012149058_100000210303 [0,0,0,0,0,0|3,0,1]=4 402 B9R0.45 CCCOCCOCCN 34a_100000210304_100011215938 [0,0,0,0,0,0|3,0,1]=4 403 B9R0.45 CCCOCCOCCN 34a_100000211614_100000210303 [0,0,0,0,0,0|3,0,1]=4 404 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [0,0,0,0,0,0|2,0,1]=3 405 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [0,0,0,0,0,0|2,0,1]=3 406 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [0,0,0,0,0,0|2,0,1]=3 407 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [0,0,0,0,0,0|3,0,1]=4 408 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [0,0,0,0,0,0|3,0,1]=4 409 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [0,0,0,0,0,0|3,0,1]=4 410 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [0,0,0,0,0,0|3,0,1]=4 411 B9R0.45 CCCOCCSCCF 62a_100011215938_100011217306 [0,0,0,0,0,0|3,0,1]=4 412 B9R0.45 CCCOCCSCCF 62a_100011217306_100011215938 [0,0,0,0,0,0|3,0,1]=4 413 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [0,0,0,0,0,0|2,0,1]=3 414 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [0,0,0,0,0,0|2,0,1]=3 415 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [0,0,0,0,0,0|2,0,2]=4 416 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [0,0,0,0,0,0|2,0,2]=4 417 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [0,0,0,0,0,0|1,0,2]=3 418 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [0,0,0,0,0,0|1,0,2]=3 419 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [0,0,0,0,0,0|3,0,1]=4 420 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [0,0,0,0,0,0|3,0,1]=4 421 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [0,0,0,0,0,0|3,0,1]=4 422 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [0,0,0,0,0,0|3,0,1]=4 423 B9R0.45 CCCSCCNCCF 2230a_100020603323_100011217306 [0,0,0,0,0,0|3,0,1]=4 424 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [0,0,0,0,0,0|2,0,1]=3 425 B9R0.45 CCCSCCOCCF 34a_200000230433_100011217306 [0,0,0,0,0,0|3,0,1]=4 426 B9R0.45 CCCSCCOCCF 7a_200000230433_100011217306 [0,0,0,0,0,0|3,0,1]=4 427 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [0,0,0,0,0,0|2,0,1]=3 428 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [0,0,0,0,0,0|2,0,1]=3 429 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [0,0,0,0,0,0|2,0,1]=3 430 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [0,0,0,0,0,0|2,0,1]=3 431 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [0,0,0,0,0,0|2,0,2]=4 432 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [0,0,0,0,0,0|1,0,2]=3 433 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [0,0,0,0,0,0|1,0,2]=3 434 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [0,0,0,0,0,0|1,0,2]=3 435 B9R0.45 CCNN=CCCCCO 4a_100000756455_100000031955 [0,0,0,0,0,0|4,0,0]=4 436 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [0,0,0,0,0,0|2,0,2]=4 437 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [0,0,0,0,0,0|2,0,2]=4 438 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [0,0,0,0,0,0|2,0,2]=4 439 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [0,0,0,0,0,0|2,0,2]=4 440 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [0,0,0,0,0,0|2,0,2]=4 441 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [0,0,0,0,0,0|2,0,2]=4 442 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [0,0,0,0,0,0|2,0,2]=4 443 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [0,0,0,0,0,0|2,0,2]=4 444 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [0,0,0,0,0,0|1,0,2]=3 445 B9R0.45 CCOCCCNCCF 2230a_100000210961_100011217306 [0,0,0,0,0,0|3,0,1]=4 446 B9R0.45 CCOCCCNCCF 34a_100000210961_100011217306 [0,0,0,0,0,0|3,0,1]=4 447 B9R0.45 CCOCCCNCCF 34a_100000724931_100012232248 [0,0,0,0,0,0|3,0,1]=4 448 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [0,0,0,0,0,0|2,0,1]=3 449 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [0,0,0,0,0,0|2,0,1]=3 450 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [0,0,0,0,0,0|2,0,1]=3 451 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [0,0,0,0,0,0|2,0,1]=3 452 B9R0.45 CCOCCCOCCBr 34a_100000211926_100012232248 [0,0,0,0,0,0|3,0,1]=4 453 B9R0.45 CCOCCCOCCF 34a_100000757476_100011217306 [0,0,0,0,0,0|3,0,1]=4 454 B9R0.45 CCOCCCOCCF 7a_100000757476_100011217306 [0,0,0,0,0,0|3,0,1]=4 455 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [0,0,0,0,0,0|3,0,1]=4 456 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [0,0,0,0,0,0|2,0,1]=3 457 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [0,0,0,0,0,0|2,0,1]=3 458 B9R0.45 CCOCCCSCCF 62a_100011217306_100012232248 [0,0,0,0,0,0|3,0,1]=4 459 B9R0.45 CCOCCCSCCF 62a_100012232248_100011217306 [0,0,0,0,0,0|3,0,1]=4 460 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [0,0,0,0,0,0|2,0,1]=3 461 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [0,0,0,0,0,0|2,0,1]=3 462 B9R0.45 CCOCCNCCCF 2230a_100015189416_100011215890 [0,0,0,0,0,0|3,0,1]=4 463 B9R0.45 CCOCCNCCCF 2230a_102516460346_100011934791 [0,0,0,0,0,0|3,0,1]=4 464 B9R0.45 CCOCCNCCCF 34a_100015189416_100000210147 [0,0,0,0,0,0|3,0,1]=4 465 B9R0.45 CCOCCNCCCF 34a_102516460346_100011934791 [0,0,0,0,0,0|3,0,1]=4 466 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [0,0,0,0,0,0|2,0,1]=3 467 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [0,0,0,0,0,0|2,0,1]=3 468 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [0,0,0,0,0,0|3,0,1]=4 469 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [0,0,0,0,0,0|3,0,1]=4 470 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [0,0,0,0,0,0|3,0,1]=4 471 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [0,0,0,0,0,0|3,0,1]=4 472 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [0,0,0,0,0,0|3,0,1]=4 473 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [0,0,0,0,0,0|3,0,1]=4 474 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [0,0,0,0,0,0|2,0,1]=3 475 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [0,0,0,0,0,0|2,0,1]=3 476 B9R0.45 CCOCCSCCCF 62a_100000210147_100011934791 [0,0,0,0,0,0|3,0,1]=4 477 B9R0.45 CCOCCSCCCF 62a_100011934791_100011215890 [0,0,0,0,0,0|3,0,1]=4 478 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [0,0,0,0,0,0|2,0,1]=3 479 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [0,0,0,0,0,0|2,0,1]=3 480 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [0,0,0,0,0,0|2,0,2]=4 481 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [0,0,0,0,0,0|2,0,2]=4 482 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [0,0,0,0,0,0|2,0,2]=4 483 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [0,0,0,0,0,0|2,0,2]=4 484 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [0,0,0,0,0,0|1,0,2]=3 485 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [0,0,0,0,0,0|1,0,2]=3 486 B9R0.45 CCSCCCOCCF 34a_100011216438_100011217306 [0,0,0,0,0,0|3,0,1]=4 487 B9R0.45 CCSCCCOCCF 7a_100011216438_100011217306 [0,0,0,0,0,0|3,0,1]=4 488 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [0,0,0,0,0,0|2,0,1]=3 489 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [0,0,0,0,0,0|2,0,1]=3 490 B9R0.45 CCSCCNCCCF 2230a_100000106463_100011934791 [0,0,0,0,0,0|3,0,1]=4 491 B9R0.45 CCSCCNCCCF 2230a_100015189416_100000757381 [0,0,0,0,0,0|3,0,1]=4 492 B9R0.45 CCSCCNCCCF 34a_100015189416_100000757381 [0,0,0,0,0,0|3,0,1]=4 493 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [0,0,0,0,0,0|2,0,1]=3 494 B9R0.45 CCSCCOCCCBr 34a_100011217188_100000757381 [0,0,0,0,0,0|3,0,1]=4 495 B9R0.45 CCSCCOCCCCl 34a_100000230001_100000757381 [0,0,0,0,0,0|3,0,1]=4 496 B9R0.45 CCSCCOCCCF 34a_100000212035_100011934791 [0,0,0,0,0,0|3,0,1]=4 497 B9R0.45 CCSCCOCCCF 34a_100000759539_100000757381 [0,0,0,0,0,0|3,0,1]=4 498 B9R0.45 CCSCCOCCCF 7a_100000212035_100011934791 [0,0,0,0,0,0|3,0,1]=4 499 B9R0.45 CCSCCOCCCN 34a_100000182051_100000757381 [0,0,0,0,0,0|3,0,1]=4 500 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [0,0,0,0,0,0|2,0,1]=3 501 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [0,0,0,0,0,0|2,0,1]=3 502 B9R0.45 CCSCCSCCCF 62a_100000757381_100011934791 [0,0,0,0,0,0|3,0,1]=4 503 B9R0.45 CCSCCSCCCF 62a_100011934791_100000757381 [0,0,0,0,0,0|3,0,1]=4 504 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [0,0,0,0,0,0|2,0,1]=3 505 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [0,0,0,0,0,0|2,0,1]=3 506 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [0,0,0,0,0,0|1,0,2]=3 507 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [0,0,0,0,0,0|1,0,2]=3 508 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [0,0,0,0,0,0|1,0,2]=3 509 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [0,0,0,0,0,0|1,0,2]=3 510 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [0,0,0,0,0,0|1,0,2]=3 511 B9R0.45 CNCCCOCCCF 34a_100000213112_100011934791 [0,0,0,0,0,0|3,0,1]=4 512 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [0,0,0,0,0,0|2,0,1]=3 513 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [0,0,0,0,0,0|2,0,1]=3 514 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [0,0,0,0,0,0|2,0,1]=3 515 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [0,0,0,0,0,0|2,0,2]=4 516 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [0,0,0,0,0,0|2,0,2]=4 517 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [0,0,0,0,0,0|2,0,2]=4 518 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [0,0,0,0,0,0|1,0,2]=3 519 B9R0.45 COCCCCNCCF 34a_100000724931_100000755781 [0,0,0,0,0,0|3,0,1]=4 520 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [0,0,0,0,0,0|2,0,1]=3 521 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [0,0,0,0,0,0|2,0,1]=3 522 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [0,0,0,0,0,0|3,0,1]=4 523 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [0,0,0,0,0,0|3,0,1]=4 524 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [0,0,0,0,0,0|3,0,1]=4 525 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [0,0,0,0,0,0|2,0,1]=3 526 B9R0.45 COCCCCSCCF 62a_100000730899_100011217306 [0,0,0,0,0,0|3,0,1]=4 527 B9R0.45 COCCCCSCCF 62a_100011217306_100000730899 [0,0,0,0,0,0|3,0,1]=4 528 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [0,0,0,0,0,0|2,0,1]=3 529 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [0,0,0,0,0,0|2,0,1]=3 530 B9R0.45 COCCCNCCCF 2230a_100015189416_100000740836 [0,0,0,0,0,0|3,0,1]=4 531 B9R0.45 COCCCNCCCF 34a_100015189416_100000740836 [0,0,0,0,0,0|3,0,1]=4 532 B9R0.45 COCCCNCCCF 34a_100150723488_100011934791 [0,0,0,0,0,0|3,0,1]=4 533 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [0,0,0,0,0,0|2,0,1]=3 534 B9R0.45 COCCCOCCCBr 34a_100011217188_100000740836 [0,0,0,0,0,0|3,0,1]=4 535 B9R0.45 COCCCOCCCCl 34a_100000230001_100000740836 [0,0,0,0,0,0|3,0,1]=4 536 B9R0.45 COCCCOCCCF 34a_100000740835_100011934791 [0,0,0,0,0,0|3,0,1]=4 537 B9R0.45 COCCCOCCCF 34a_100000759539_100000740836 [0,0,0,0,0,0|3,0,1]=4 538 B9R0.45 COCCCOCCCN 34a_100000182051_100000740836 [0,0,0,0,0,0|3,0,1]=4 539 B9R0.45 COCCCOCCCN 34a_100011310245_200000210301 [0,0,0,0,0,0|3,0,1]=4 540 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [0,0,0,0,0,0|2,0,1]=3 541 B9R0.45 COCCCSCCCF 62a_100000709357_100011934791 [0,0,0,0,0,0|3,0,1]=4 542 B9R0.45 COCCCSCCCF 62a_100011934791_100000709357 [0,0,0,0,0,0|3,0,1]=4 543 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [0,0,0,0,0,0|2,0,1]=3 544 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [0,0,0,0,0,0|2,0,1]=3 545 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [0,0,0,0,0,0|2,0,2]=4 546 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [0,0,0,0,0,0|2,0,2]=4 547 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [0,0,0,0,0,0|2,0,2]=4 548 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [0,0,0,0,0,0|2,0,2]=4 549 B9R0.45 COCCOCNCCO 2230a_100016997473_100000231047 [0,0,0,0,0,0|3,0,1]=4 550 B9R0.45 COCCOCSCCO 62a_100000211926_100000231047 [0,0,0,0,0,0|3,0,1]=4 551 B9R0.45 COCCOCSCCO 62a_100000231047_100000211926 [0,0,0,0,0,0|3,0,1]=4 552 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [0,0,0,0,0,0|2,0,2]=4 553 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [0,0,0,0,0,0|2,0,2]=4 554 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [0,0,0,0,0,0|2,0,2]=4 555 B9R0.45 COCNCCOCCO 2230a_100000211614_100000766300 [0,0,0,0,0,0|3,0,1]=4 556 B9R0.45 COCNCCSCCO 2230a_100011219999_100000766300 [0,0,0,0,0,0|3,0,1]=4 557 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [0,0,0,0,0,0|2,0,2]=4 558 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [0,0,0,0,0,0|2,0,2]=4 559 B9R0.45 COCSCCOCCO 62a_100000766300_100011215305 [0,0,0,0,0,0|3,0,1]=4 560 B9R0.45 COCSCCOCCO 62a_100011215305_100000766300 [0,0,0,0,0,0|3,0,1]=4 561 B9R0.45 CSCCC=NNCCO 4a_100000210001_100000210997 [0,0,0,0,0,0|3,0,1]=4 562 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [0,0,0,0,0,0|1,0,2]=3 563 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [0,0,0,0,0,0|1,0,2]=3 564 B9R0.45 CSCCCCOCCF 34a_100011217163_100011217306 [0,0,0,0,0,0|3,0,1]=4 565 B9R0.45 CSCCCCOCCF 7a_100011217163_100011217306 [0,0,0,0,0,0|3,0,1]=4 566 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [0,0,0,0,0,0|2,0,1]=3 567 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [0,0,0,0,0,0|2,0,1]=3 568 B9R0.45 CSCCCNCCCF 2230a_100000749238_100011934791 [0,0,0,0,0,0|3,0,1]=4 569 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [0,0,0,0,0,0|2,0,1]=3 570 B9R0.45 CSCCCOCCCF 34a_100000690336_100011934791 [0,0,0,0,0,0|3,0,1]=4 571 B9R0.45 CSCCCOCCCF 7a_100000690336_100011934791 [0,0,0,0,0,0|3,0,1]=4 572 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [0,0,0,0,0,0|2,0,1]=3 573 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [0,0,0,0,0,0|2,0,1]=3 574 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [0,0,0,0,0,0|2,0,2]=4 575 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [0,0,0,0,0,0|2,0,2]=4 576 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [0,0,0,0,0,0|2,0,2]=4 577 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [0,0,0,0,0,0|2,0,2]=4 578 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [0,0,0,0,0,0|2,0,2]=4 579 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [0,0,0,0,0,0|2,0,2]=4 580 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [0,0,0,0,0,0|2,0,2]=4 581 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [0,0,0,0,0,0|2,0,2]=4 582 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [0,0,0,0,0,0|2,0,2]=4 583 B9R0.45 CSCNCCOCCO 2230a_100000211614_100011218213 [0,0,0,0,0,0|3,0,1]=4 584 B9R0.45 CSCNCCOCCO 34a_100000211614_100011218213 [0,0,0,0,0,0|3,0,1]=4 585 B9R0.45 CSCNCCSCCO 2230a_100011219999_100011218213 [0,0,0,0,0,0|3,0,1]=4 586 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [0,0,0,0,0,0|2,0,2]=4 587 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [0,0,0,0,0,0|2,0,2]=4 588 B9R0.45 CSCSCCOCCO 62a_100011215305_100011218213 [0,0,0,0,0,0|3,0,1]=4 589 B9R0.45 CSCSCCOCCO 62a_100011218213_100011215305 [0,0,0,0,0,0|3,0,1]=4 590 B9R0.45 FCCCCCNCCF 34a_100000724931_100000729378 [0,0,0,0,0,0|3,0,1]=4 591 B9R0.45 FCCCCCOCCBr 34a_100000211926_100000729378 [0,0,0,0,0,0|3,0,1]=4 592 B9R0.45 FCCCCCSCCF 62a_100000729378_100011217306 [0,0,0,0,0,0|3,0,1]=4 593 B9R0.45 FCCCCCSCCF 62a_100011217306_100000729378 [0,0,0,0,0,0|3,0,1]=4 594 B9R0.45 FCCCCNCCCF 2230a_100015189416_100000729493 [0,0,0,0,0,0|3,0,1]=4 595 B9R0.45 FCCCCNCCCF 34a_100015189416_100000729493 [0,0,0,0,0,0|3,0,1]=4 596 B9R0.45 FCCCCOCCCBr 34a_100011217188_100000729493 [0,0,0,0,0,0|3,0,1]=4 597 B9R0.45 FCCCCOCCCCl 34a_100000230001_100000729493 [0,0,0,0,0,0|3,0,1]=4 598 B9R0.45 FCCCCOCCCF 34a_100000759539_100000729493 [0,0,0,0,0,0|3,0,1]=4 599 B9R0.45 FCCCCOCCCF 34a_100011995726_100011934791 [0,0,0,0,0,0|3,0,1]=4 600 B9R0.45 FCCCCOCCCF 7a_100011995726_100011934791 [0,0,0,0,0,0|3,0,1]=4 601 B9R0.45 FCCCCSCCCF 62a_100000729493_100011934791 [0,0,0,0,0,0|3,0,1]=4 602 B9R0.45 FCCCCSCCCF 62a_100011934791_100000729493 [0,0,0,0,0,0|3,0,1]=4 603 B9R0.45 FCCCOCCCCBr 34a_100011216708_100011934791 [0,0,0,0,0,0|3,0,1]=4 604 B9R0.45 FCCCOCCCCCl 34a_100000210776_100011934791 [0,0,0,0,0,0|3,0,1]=4 605 B9R0.45 FCCCOCCCCCl 7a_100000210776_100011934791 [0,0,0,0,0,0|3,0,1]=4 606 B9R0.45 FCCCOCCCCI 34a_200012148704_100011934791 [0,0,0,0,0,0|3,0,1]=4 607 B9R0.45 FCCOCCCCCBr 34a_100000746331_100011217306 [0,0,0,0,0,0|3,0,1]=4 608 B9R0.45 FCCOCCCCCBr 7a_100000746331_100011217306 [0,0,0,0,0,0|3,0,1]=4 609 B9R0.45 FCCOCCCCCCl 34a_100000746330_100011217306 [0,0,0,0,0,0|3,0,1]=4 610 B9R0.45 FCCOCCCCCCl 7a_100000746330_100011217306 [0,0,0,0,0,0|3,0,1]=4 611 B9R0.45 FCCOCCCCCI 34a_200012148887_100011217306 [0,0,0,0,0,0|3,0,1]=4 612 B9R0.45 FCCOCCCCCI 7a_200012148887_100011217306 [0,0,0,0,0,0|3,0,1]=4 613 B9R0.45 N#CCCCCNCCO 2230a_100016997473_100000211819 [0,0,0,0,0,0|2,0,2]=4 614 B9R0.45 N#CCCCCSCCO 62a_100000211926_100000211819 [0,0,0,0,0,0|2,0,2]=4 615 B9R0.45 N#CCCCCSCCO 62a_100011219923_100000211926 [0,0,0,0,0,0|2,0,2]=4 616 B9R0.45 N#CCCCSCCCO 62a_100000687738_100011215043 [0,0,0,0,0,0|2,0,2]=4 617 B9R0.45 N#CCCCSCCCO 62a_100011215043_100000687738 [0,0,0,0,0,0|2,0,2]=4 618 B9R0.45 NCCCCCOCCF 34a_100000762737_100011217306 [0,0,0,0,0,0|3,0,1]=4 619 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [0,0,0,0,0,0|2,0,1]=3 620 B9R0.45 NCCCCOCCCF 34a_100000750430_100011934791 [0,0,0,0,0,0|3,0,1]=4 621 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [0,0,0,0,0,0|2,0,1]=3 622 B9R0.45 NCCCOCCCCF 34a_100000182051_100000729493 [0,0,0,0,0,0|3,0,1]=4 623 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [0,0,0,0,0,0|2,0,2]=4 624 B9R0.45 NCCOCCCCCF 34a_100000210304_100000729378 [0,0,0,0,0,0|3,0,1]=4 625 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [0,0,0,0,0,0|2,0,2]=4 626 B9R0.45 NCCOCCOCCO 34a_100000210304_100000692535 [0,0,0,0,0,0|3,0,1]=4 627 B9R0.45 NCCOCCOCCO 34a_100000211614_100000211926 [0,0,0,0,0,0|3,0,1]=4 628 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [0,0,0,0,0,0|2,0,2]=4 629 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [0,0,0,0,0,0|2,0,2]=4 630 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [0,0,0,0,0,0|2,0,2]=4 631 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [0,0,0,0,0,0|2,0,2]=4 632 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [0,0,0,0,0,0|2,0,2]=4 633 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [0,0,0,0,0,0|2,0,2]=4 634 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [0,0,0,0,0,0|2,0,2]=4 635 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [0,0,0,0,0,0|2,0,2]=4 636 B9R0.45 OCCCCCNCCF 2230a_100000762737_100011217306 [0,0,0,0,0,0|2,0,2]=4 637 B9R0.45 OCCCCCNCCF 34a_100000724931_100000746330 [0,0,0,0,0,0|2,0,2]=4 638 B9R0.45 OCCCCCNCCF 34a_100000762737_100011217306 [0,0,0,0,0,0|2,0,2]=4 639 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [0,0,0,0,0,0|2,0,1]=3 640 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [0,0,0,0,0,0|2,0,1]=3 641 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [0,0,0,0,0,0|2,0,1]=3 642 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [0,0,0,0,0,0|2,0,1]=3 643 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [0,0,0,0,0,0|2,0,2]=4 644 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [0,0,0,0,0,0|2,0,2]=4 645 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [0,0,0,0,0,0|2,0,2]=4 646 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [0,0,0,0,0,0|2,0,1]=3 647 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [0,0,0,0,0,0|2,0,1]=3 648 B9R0.45 OCCCCNCCCF 2230a_100000750430_100011934791 [0,0,0,0,0,0|2,0,2]=4 649 B9R0.45 OCCCCNCCCF 2230a_100015189416_100000210776 [0,0,0,0,0,0|2,0,2]=4 650 B9R0.45 OCCCCNCCCF 34a_100000750430_100011934791 [0,0,0,0,0,0|2,0,2]=4 651 B9R0.45 OCCCCNCCCF 34a_100015189416_100011216708 [0,0,0,0,0,0|2,0,2]=4 652 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [0,0,0,0,0,0|2,0,1]=3 653 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [0,0,0,0,0,0|2,0,1]=3 654 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [0,0,0,0,0,0|2,0,2]=4 655 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [0,0,0,0,0,0|2,0,2]=4 656 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [0,0,0,0,0,0|2,0,2]=4 657 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [0,0,0,0,0,0|2,0,2]=4 658 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [0,0,0,0,0,0|2,0,2]=4 659 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [0,0,0,0,0,0|2,0,1]=3 660 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [0,0,0,0,0,0|2,0,1]=3 661 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [0,0,0,0,0,0|2,0,1]=3 662 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [0,0,0,0,0,0|2,0,1]=3 663 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [0,0,0,0,0,0|2,0,1]=3 664 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [0,0,0,0,0,0|2,0,1]=3 665 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [0,0,0,0,0,0|2,0,1]=3 666 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [0,0,0,0,0,0|2,0,1]=3 667 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [0,0,0,0,0,0|2,0,1]=3 668 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [0,0,0,0,0,0|2,0,1]=3 669 B9R0.45 OCCNCCCCCF 2230a_100016997473_100000729378 [0,0,0,0,0,0|2,0,1]=3 670 B9R0.45 OCCNCCCCCF 34a_100016990907_100000729378 [0,0,0,0,0,0|2,0,1]=3 671 B9R0.45 OCCNCCOCCO 2230a_100000211614_100000211926 [0,0,0,0,0,0|3,0,1]=4 672 B9R0.45 OCCNCCOCCO 2230a_100016997473_100011215305 [0,0,0,0,0,0|3,0,1]=4 673 B9R0.45 OCCNCCOCCO 34a_100000211614_100000211926 [0,0,0,0,0,0|3,0,1]=4 674 B9R0.45 OCCNCCOCCO 34a_100016990907_100000692535 [0,0,0,0,0,0|3,0,1]=4 675 B9R0.45 OCCNCCSCCO 2230a_100011219999_100000211926 [0,0,0,0,0,0|3,0,1]=4 676 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [0,0,0,0,0,0|2,0,1]=3 677 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [0,0,0,0,0,0|2,0,1]=3 678 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [0,0,0,0,0,0|2,0,1]=3 679 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [0,0,0,0,0,0|2,0,1]=3 680 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [0,0,0,0,0,0|2,0,1]=3 681 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [0,0,0,0,0,0|2,0,1]=3 682 B9R0.45 OCCOCCNCCF 2230a_100000211614_100011217306 [0,0,0,0,0,0|3,0,1]=4 683 B9R0.45 OCCOCCNCCF 34a_100000211614_100011217306 [0,0,0,0,0,0|3,0,1]=4 684 B9R0.45 OCCOCCNCCF 34a_100000724931_100000692535 [0,0,0,0,0,0|3,0,1]=4 685 B9R0.45 OCCOCCOCCBr 34a_100000211926_100000692535 [0,0,0,0,0,0|3,0,1]=4 686 B9R0.45 OCCOCCOCCBr 34a_100000692535_100000211926 [0,0,0,0,0,0|3,0,1]=4 687 B9R0.45 OCCOCCOCCBr 7a_100000692535_100000211926 [0,0,0,0,0,0|3,0,1]=4 688 B9R0.45 OCCOCCOCCCl 34a_100011215305_100000211926 [0,0,0,0,0,0|3,0,1]=4 689 B9R0.45 OCCOCCOCCCl 7a_100011215305_100000211926 [0,0,0,0,0,0|3,0,1]=4 690 B9R0.45 OCCOCCOCCF 34a_200015357709_100000211926 [0,0,0,0,0,0|3,0,1]=4 691 B9R0.45 OCCOCCOCCF 7a_200015357709_100000211926 [0,0,0,0,0,0|3,0,1]=4 692 B9R0.45 OCCOCCOCCI 34a_100012149058_100000211926 [0,0,0,0,0,0|3,0,1]=4 693 B9R0.45 OCCOCCOCCI 7a_100012149058_100000211926 [0,0,0,0,0,0|3,0,1]=4 694 B9R0.45 OCCOCCSCCF 62a_100011215305_100011217306 [0,0,0,0,0,0|3,0,1]=4 695 B9R0.45 OCCOCCSCCF 62a_100011217306_100011215305 [0,0,0,0,0,0|3,0,1]=4 696 B9R0.45 OCCOCCSCCO 62a_100000211926_100011215305 [0,0,0,0,0,0|3,0,1]=4 697 B9R0.45 OCCOCCSCCO 62a_100011215305_100000211926 [0,0,0,0,0,0|3,0,1]=4 698 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [0,0,0,0,0,0|2,0,1]=3 699 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [0,0,0,0,0,0|2,0,1]=3 700 B9R0.45 OCCSCCNCCF 2230a_100011219999_100011217306 [0,0,0,0,0,0|3,0,1]=4 701 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [0,0,0,0,0,0|1,0,2]=3 702 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [0,0,0,0,0,0|1,0,2]=3 703 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [0,0,0,0,0,0|2,0,1]=3 704 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [0,0,0,0,0,0|2,0,1]=3 705 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [0,0,0,0,0,0|2,0,2]=4 706 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [0,0,0,0,0,0|2,0,2]=4 707 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [0,0,0,0,0,0|2,0,2]=4 708 B9R0.45 [13CH3]OCCCOCCCN 34a_100011310245_200025704644 [0,0,0,0,0,0|3,0,1]=4 709 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [0,0,0,0,0,0|1,0,2]=3 710 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [0,0,0,0,0,0|1,0,2]=3 711 B8R0.4 C#CCCCNCCO 2230a_100016997473_100000731252 [1,0,0,0,0,0|1,0,2]=4 712 B8R0.4 C#CCCCNCCO 34a_100000718082_100000211926 [1,0,0,0,0,0|1,0,2]=4 713 B8R0.4 C#CCCCNCCO 34a_100016990907_100000695029 [1,0,0,0,0,0|1,0,2]=4 714 B8R0.4 C#CCCCOCCO 34a_100000215630_100000211926 [1,0,0,0,0,0|1,0,2]=4 715 B8R0.4 C#CCCCOCCO 7a_100000215630_100000211926 [1,0,0,0,0,0|1,0,2]=4 716 B8R0.4 C#CCCCSCCO 62a_100000211926_100011215417 [1,0,0,0,0,0|1,0,2]=4 717 B8R0.4 C#CCCCSCCO 62a_100011215417_100000211926 [1,0,0,0,0,0|1,0,2]=4 718 B8R0.4 C#CCNC/C=C\CC 34a_100000212058_100103147603 [1,0,0,0,0,0|1,0,2]=4 719 B8R0.4 C#CCNCCCCC 2230a_100000209983_100000038162 [1,0,0,0,0,0|2,0,1]=4 720 B8R0.4 C#CCNCCCCC 34a_100000212058_100000718602 [1,0,0,0,0,0|2,0,1]=4 721 B8R0.4 C#CCOC/C=C\CC 34a_100000210247_100103147603 [1,0,0,0,0,0|1,0,2]=4 722 B8R0.4 C#CCOC/C=C\CC 34a_100016268518_100000184674 [1,0,0,0,0,0|1,0,2]=4 723 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [1,0,0,0,0,0|2,0,1]=4 724 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [1,0,0,0,0,0|2,0,1]=4 725 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [1,0,0,0,0,0|2,0,1]=4 726 B8R0.4 C#CCSC/C=C\CC 62a_100000038162_100103147603 [1,0,0,0,0,0|1,0,2]=4 727 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [1,0,0,0,0,0|2,0,1]=4 728 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [1,0,0,0,0,0|1,0,2]=4 729 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,0,0,0,0,0|1,0,2]=4 730 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [1,0,0,0,0,0|1,0,2]=4 731 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,0,0,0,0,0|1,0,2]=4 732 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,0,0,0,0,0|1,0,2]=4 733 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,0,0,0,0,0|1,0,2]=4 734 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,0,0,0,0,0|1,0,2]=4 735 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,0,0,0,0,0|1,0,2]=4 736 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,0,0,0,0,0|1,0,2]=4 737 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [1,0,0,0,0,0|1,0,2]=4 738 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [1,0,0,0,0,0|1,0,2]=4 739 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [1,0,0,0,0,0|1,0,2]=4 740 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [1,0,0,0,0,0|1,0,2]=4 741 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [1,0,0,0,0,0|1,0,2]=4 742 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [1,0,0,0,0,0|1,0,2]=4 743 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [1,0,0,0,0,0|1,0,2]=4 744 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [1,0,0,0,0,0|1,0,2]=4 745 B8R0.4 C=CCNC/C=C\CC 2230a_100020586998_100103147603 [1,0,0,0,0,0|1,0,2]=4 746 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,0,0,0,0,0|2,0,1]=4 747 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,0,0,0,0,0|2,0,1]=4 748 B8R0.4 C=CCOC/C=C\CC 34a_100016268518_100015514636 [1,0,0,0,0,0|1,0,2]=4 749 B8R0.4 C=CCOC/C=C\CC 34a_200000210373_100103147603 [1,0,0,0,0,0|1,0,2]=4 750 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,0,0,0,0,0|2,0,1]=4 751 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,0,0,0,0,0|2,0,1]=4 752 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,0,0,0,0,0|2,0,1]=4 753 B8R0.4 C=CCSC/C=C\CC 62a_100000210623_100103147603 [1,0,0,0,0,0|1,0,2]=4 754 B8R0.4 C=CCSC/C=C\CC 62a_100103147603_100000210623 [1,0,0,0,0,0|1,0,2]=4 755 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,0,0,0,0,0|2,0,1]=4 756 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,0,0,0,0,0|2,0,1]=4 757 B8R0.4 CC#CCCOCCO 34a_100000750427_100000211926 [1,0,0,0,0,0|1,0,2]=4 758 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,0,0,0,0,0|1,0,0]=2 759 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,0,0,0,0,0|1,0,0]=2 760 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,0,0,0,0,0|1,0,0]=2 761 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,0,0,0,0,0|1,0,0]=2 762 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,0,0,0,0,0|1,0,0]=2 763 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,0,0,0,0,0|1,0,0]=2 764 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,0,0,0,0,0|1,0,0]=2 765 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,0,0,0,0,0|1,0,0]=2 766 B8R0.4 CC/C=C\CCOCF 34a_100016288707_100015361967 [1,0,0,0,0,0|2,0,0]=3 767 B8R0.4 CC/C=C\CCOCF 7a_100016288707_100015361967 [1,0,0,0,0,0|2,0,0]=3 768 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,0,0,0,0,0|1,0,0]=2 769 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,0,0,0,0,0|1,0,0]=2 770 B8R0.4 CC/C=C\CCSCF 62a_100015361967_100015370543 [1,0,0,0,0,0|2,0,0]=3 771 B8R0.4 CC/C=C\CCSCF 62a_100015370543_100015361967 [1,0,0,0,0,0|2,0,0]=3 772 B8R0.4 CC/C=C\CNCCF 34a_100000724931_100103147603 [1,0,0,0,0,0|2,0,0]=3 773 B8R0.4 CC/C=C\CNCCO 2230a_100016997473_100103147603 [1,0,0,0,0,0|2,0,0]=3 774 B8R0.4 CC/C=C\CNCCO 34a_100016990907_100103147603 [1,0,0,0,0,0|2,0,0]=3 775 B8R0.4 CC/C=C\COCC=O 34a_100016268518_200009817547 [1,0,0,0,0,0|2,0,1]=4 776 B8R0.4 CC/C=C\COCCBr 34a_100000211926_100103147603 [1,0,0,0,0,0|2,0,0]=3 777 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,0,0,0,0,0|1,0,0]=2 778 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,0,0,0,0,0|1,0,0]=2 779 B8R0.4 CC/C=C\COCCF 34a_100016268518_100011217306 [1,0,0,0,0,0|2,0,0]=3 780 B8R0.4 CC/C=C\COCCN 34a_100000210304_100103147603 [1,0,0,0,0,0|2,0,0]=3 781 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [1,0,0,0,0,0|2,0,0]=3 782 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [1,0,0,0,0,0|2,0,0]=3 783 B8R0.4 CC/C=C\CSCC#N 62a_100011215382_100103147603 [1,0,0,0,0,0|2,0,1]=4 784 B8R0.4 CC/C=C\CSCC#N 62a_100103147603_100011215382 [1,0,0,0,0,0|2,0,1]=4 785 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [1,0,0,0,0,0|2,0,1]=4 786 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [1,0,0,0,0,0|2,0,1]=4 787 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,0,0,0,0,0|1,0,0]=2 788 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,0,0,0,0,0|1,0,0]=2 789 B8R0.4 CC/C=C\CSCCF 62a_100011217306_100103147603 [1,0,0,0,0,0|2,0,0]=3 790 B8R0.4 CC/C=C\CSCCF 62a_100103147603_100011217306 [1,0,0,0,0,0|2,0,0]=3 791 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [1,0,0,0,0,0|2,0,0]=3 792 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [1,0,0,0,0,0|2,0,0]=3 793 B8R0.4 CC/C=C\CSCOC 62a_100000766300_100103147603 [1,0,0,0,0,0|2,0,0]=3 794 B8R0.4 CC/C=C\CSCOC 62a_100103147603_100000766300 [1,0,0,0,0,0|2,0,0]=3 795 B8R0.4 CC/C=C\CSCSC 62a_100011218213_100103147603 [1,0,0,0,0,0|2,0,0]=3 796 B8R0.4 CC/C=C\CSCSC 62a_100103147603_100011218213 [1,0,0,0,0,0|2,0,0]=3 797 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [1,0,0,0,0,0|1,0,2]=4 798 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,0,0,0,0,0|1,0,2]=4 799 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,0,0,0,0,0|1,0,2]=4 800 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,0,0,0,0,0|1,0,2]=4 801 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,0,0,0,0,0|1,0,2]=4 802 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,0,0,0,0,0|1,0,2]=4 803 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,0,0,0,0,0|1,0,2]=4 804 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,0,0,0,0,0|1,0,2]=4 805 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [1,0,0,0,0,0|2,0,1]=4 806 B8R0.4 CCC#CCCOCC 34a_100000036655_100000210202 [1,0,0,0,0,0|1,0,2]=4 807 B8R0.4 CCC#CCCOCC 7a_100000036655_100000210202 [1,0,0,0,0,0|1,0,2]=4 808 B8R0.4 CCC#CCNCCO 2230a_100016997473_100009813939 [1,0,0,0,0,0|1,0,2]=4 809 B8R0.4 CCC#CCNCCO 34a_100016990907_100009813939 [1,0,0,0,0,0|1,0,2]=4 810 B8R0.4 CCC#CCOCCC 34a_100000032950_100000210303 [1,0,0,0,0,0|1,0,2]=4 811 B8R0.4 CCC#CCOCCC 34a_100000210258_100009813939 [1,0,0,0,0,0|1,0,2]=4 812 B8R0.4 CCC#CCOCCO 34a_100000032950_100000211926 [1,0,0,0,0,0|1,0,2]=4 813 B8R0.4 CCC#CCSCCC 62a_100000210303_100009813939 [1,0,0,0,0,0|1,0,2]=4 814 B8R0.4 CCC#CCSCCC 62a_100009813939_100000210303 [1,0,0,0,0,0|1,0,2]=4 815 B8R0.4 CCC#CCSCCO 62a_100000211926_100009813939 [1,0,0,0,0,0|1,0,2]=4 816 B8R0.4 CCC#CCSCCO 62a_100009813939_100000211926 [1,0,0,0,0,0|1,0,2]=4 817 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [1,0,0,0,0,0|2,0,0]=3 818 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [1,0,0,0,0,0|2,0,0]=3 819 B8R0.4 CCC/C=C/COCF 34a_100016278788_100015361967 [1,0,0,0,0,0|3,0,0]=4 820 B8R0.4 CCC/C=C/COCF 7a_100016278788_100015361967 [1,0,0,0,0,0|3,0,0]=4 821 B8R0.4 CCC=CC=NNCC 4a_100000756455_100011216943 [1,0,0,0,0,0|2,0,1]=4 822 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [1,0,0,0,0,0|2,0,0]=3 823 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [1,0,0,0,0,0|2,0,0]=3 824 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [1,0,0,0,0,0|2,0,0]=3 825 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [1,0,0,0,0,0|2,0,0]=3 826 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [1,0,0,0,0,0|2,0,0]=3 827 B8R0.4 CCCC=NNCCC 4a_100000740057_100000185831 [1,0,0,0,0,0|2,0,1]=4 828 B8R0.4 CCCC=NNCCO 4a_100000210001_100000185831 [1,0,0,0,0,0|2,0,1]=4 829 B8R0.4 CCCCC=NNCC 4a_100000756455_100000210104 [1,0,0,0,0,0|2,0,1]=4 830 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,0,0,0,0,0|1,0,2]=4 831 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,0,0,0,0,0|1,0,2]=4 832 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,0,0,0,0,0|1,0,2]=4 833 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,0,0,0,0,0|1,0,2]=4 834 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,0,0,0,0,0|1,0,2]=4 835 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,0,0,0,0,0|1,0,2]=4 836 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,0,0,0,0,0|1,0,2]=4 837 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,0,0,0,0,0|1,0,2]=4 838 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,0,0,0,0,0|1,0,2]=4 839 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,0,0,0,0,0|1,0,2]=4 840 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,0,0,0,0,0|1,0,2]=4 841 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,0,0,0,0,0|1,0,2]=4 842 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,0,0,0,0,0|1,0,2]=4 843 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,0,0,0,0,0|1,0,2]=4 844 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [1,0,0,0,0,0|1,0,1]=3 845 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [1,0,0,0,0,0|1,0,1]=3 846 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,0,0,0,0,0|1,0,1]=3 847 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,0,0,0,0,0|1,0,1]=3 848 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,0,0,0,0,0|1,0,1]=3 849 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [1,0,0,0,0,0|2,0,1]=4 850 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [1,0,0,0,0,0|2,0,1]=4 851 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,0,0,0,0,0|1,0,1]=3 852 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,0,0,0,0,0|1,0,1]=3 853 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [1,0,0,0,0,0|2,0,1]=4 854 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [1,0,0,0,0,0|2,0,1]=4 855 B8R0.4 CCCCCNCC#N 2230a_100000209983_100011215382 [1,0,0,0,0,0|2,0,1]=4 856 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,0,0,0,0,0|1,0,2]=4 857 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,0,0,0,0,0|1,0,1]=3 858 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [1,0,0,0,0,0|2,0,0]=3 859 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [1,0,0,0,0,0|2,0,0]=3 860 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,0,0,0,0,0|1,0,0]=2 861 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,0,0,0,0,0|1,0,0]=2 862 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,0,0,0,0,0|1,0,0]=2 863 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [1,0,0,0,0,0|2,0,1]=4 864 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [1,0,0,0,0,0|2,0,1]=4 865 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [1,0,0,0,0,0|2,0,1]=4 866 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,0,0,0,0,0|1,0,2]=4 867 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,0,0,0,0,0|1,0,2]=4 868 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,0,0,0,0,0|2,0,0]=3 869 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,0,0,0,0,0|1,0,1]=3 870 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,0,0,0,0,0|1,0,1]=3 871 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,0,0,0,0,0|1,0,1]=3 872 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,0,0,0,0,0|2,0,0]=3 873 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,0,0,0,0,0|2,0,0]=3 874 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,0,0,0,0,0|2,0,0]=3 875 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,0,0,0,0,0|1,0,0]=2 876 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,0,0,0,0,0|1,0,0]=2 877 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,0,0,0,0,0|2,0,1]=4 878 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [1,0,0,0,0,0|2,0,1]=4 879 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [1,0,0,0,0,0|2,0,1]=4 880 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,0,0,0,0,0|1,0,2]=4 881 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,0,0,0,0,0|1,0,2]=4 882 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,0,0,0,0,0|1,0,1]=3 883 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,0,0,0,0,0|1,0,1]=3 884 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [1,0,0,0,0,0|2,0,0]=3 885 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [1,0,0,0,0,0|2,0,0]=3 886 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,0,0,0,0,0|1,0,0]=2 887 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,0,0,0,0,0|1,0,0]=2 888 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [1,0,0,0,0,0|2,0,1]=4 889 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [1,0,0,0,0,0|2,0,1]=4 890 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [1,0,0,0,0,0|2,0,1]=4 891 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [1,0,0,0,0,0|2,0,1]=4 892 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [1,0,0,0,0,0|1,0,2]=4 893 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [1,0,0,0,0,0|1,0,2]=4 894 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [1,0,0,0,0,0|2,0,1]=4 895 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [1,0,0,0,0,0|2,0,1]=4 896 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [1,0,0,0,0,0|2,0,1]=4 897 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [1,0,0,0,0,0|2,0,1]=4 898 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [1,0,0,0,0,0|1,0,1]=3 899 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [1,0,0,0,0,0|1,0,1]=3 900 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [1,0,0,0,0,0|2,0,1]=4 901 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [1,0,0,0,0,0|1,0,2]=4 902 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [1,0,0,0,0,0|1,0,2]=4 903 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [1,0,0,0,0,0|2,0,1]=4 904 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [1,0,0,0,0,0|2,0,1]=4 905 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [1,0,0,0,0,0|2,0,1]=4 906 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [1,0,0,0,0,0|2,0,1]=4 907 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [1,0,0,0,0,0|2,0,1]=4 908 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [1,0,0,0,0,0|1,0,1]=3 909 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [1,0,0,0,0,0|1,0,1]=3 910 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [1,0,0,0,0,0|2,0,1]=4 911 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [1,0,0,0,0,0|2,0,1]=4 912 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [1,0,0,0,0,0|2,0,1]=4 913 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [1,0,0,0,0,0|2,0,1]=4 914 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [1,0,0,0,0,0|1,0,2]=4 915 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [1,0,0,0,0,0|2,0,1]=4 916 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [1,0,0,0,0,0|2,0,1]=4 917 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [1,0,0,0,0,0|1,0,1]=3 918 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [1,0,0,0,0,0|1,0,1]=3 919 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [1,0,0,0,0,0|2,0,1]=4 920 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [1,0,0,0,0,0|2,0,1]=4 921 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,0,0,0,0,0|1,0,1]=3 922 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,0,0,0,0,0|1,0,1]=3 923 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [1,0,0,0,0,0|2,0,1]=4 924 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [1,0,0,0,0,0|2,0,1]=4 925 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [1,0,0,0,0,0|2,0,1]=4 926 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [1,0,0,0,0,0|2,0,1]=4 927 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [1,0,0,0,0,0|2,0,1]=4 928 B8R0.4 CCCOCC#CCO 34a_100000210258_200000047223 [1,0,0,0,0,0|1,0,2]=4 929 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [1,0,0,0,0,0|2,0,1]=4 930 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [1,0,0,0,0,0|2,0,1]=4 931 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [1,0,0,0,0,0|2,0,1]=4 932 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [1,0,0,0,0,0|2,0,1]=4 933 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [1,0,0,0,0,0|2,0,1]=4 934 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [1,0,0,0,0,0|2,0,1]=4 935 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [1,0,0,0,0,0|2,0,1]=4 936 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [1,0,0,0,0,0|2,0,1]=4 937 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,0,0,0,0,0|1,0,1]=3 938 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,0,0,0,0,0|2,0,1]=4 939 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,0,0,0,0,0|2,0,1]=4 940 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,0,0,0,0,0|2,0,1]=4 941 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,0,0,0,0,0|2,0,1]=4 942 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,0,0,0,0,0|2,0,1]=4 943 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,0,0,0,0,0|2,0,1]=4 944 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,0,0,0,0,0|2,0,1]=4 945 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,0,0,0,0,0|2,0,1]=4 946 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,0,0,0,0,0|2,0,1]=4 947 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [1,0,0,0,0,0|2,0,1]=4 948 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [1,0,0,0,0,0|2,0,1]=4 949 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [1,0,0,0,0,0|2,0,1]=4 950 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,0,0,0,0,0|2,0,1]=4 951 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,0,0,0,0,0|2,0,1]=4 952 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,0,0,0,0,0|2,0,1]=4 953 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,0,0,0,0,0|2,0,1]=4 954 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,0,0,0,0,0|2,0,1]=4 955 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,0,0,0,0,0|2,0,1]=4 956 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [1,0,0,0,0,0|2,0,1]=4 957 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [1,0,0,0,0,0|2,0,1]=4 958 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [1,0,0,0,0,0|2,0,1]=4 959 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [1,0,0,0,0,0|2,0,1]=4 960 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [1,0,0,0,0,0|2,0,1]=4 961 B8R0.4 CCCSCC#CCO 62a_100000210303_200000047223 [1,0,0,0,0,0|1,0,2]=4 962 B8R0.4 CCCSCC#CCO 62a_200000047223_100000210303 [1,0,0,0,0,0|1,0,2]=4 963 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [1,0,0,0,0,0|2,0,1]=4 964 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [1,0,0,0,0,0|2,0,1]=4 965 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,0,0,0,0,0|1,0,1]=3 966 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,0,0,0,0,0|1,0,1]=3 967 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [1,0,0,0,0,0|2,0,1]=4 968 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [1,0,0,0,0,0|2,0,1]=4 969 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [1,0,0,0,0,0|2,0,1]=4 970 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [1,0,0,0,0,0|2,0,1]=4 971 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [1,0,0,0,0,0|2,0,1]=4 972 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [1,0,0,0,0,0|2,0,1]=4 973 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [1,0,0,0,0,0|2,0,1]=4 974 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [1,0,0,0,0,0|2,0,1]=4 975 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [1,0,0,0,0,0|2,0,1]=4 976 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [1,0,0,0,0,0|2,0,1]=4 977 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,0,0,0,0,0|1,0,1]=3 978 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,0,0,0,0,0|1,0,1]=3 979 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,0,0,0,0,0|1,0,1]=3 980 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [1,0,0,0,0,0|2,0,1]=4 981 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [1,0,0,0,0,0|2,0,1]=4 982 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [1,0,0,0,0,0|2,0,1]=4 983 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [1,0,0,0,0,0|2,0,1]=4 984 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [1,0,0,0,0,0|2,0,0]=3 985 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [1,0,0,0,0,0|2,0,0]=3 986 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [1,0,0,0,0,0|2,0,0]=3 987 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [1,0,0,0,0,0|2,0,0]=3 988 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,0,0,0,0,0|2,0,1]=4 989 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,0,0,0,0,0|2,0,1]=4 990 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,0,0,0,0,0|2,0,1]=4 991 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,0,0,0,0,0|2,0,1]=4 992 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,0,0,0,0,0|2,0,1]=4 993 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,0,0,0,0,0|2,0,1]=4 994 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,0,0,0,0,0|2,0,1]=4 995 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,0,0,0,0,0|2,0,1]=4 996 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,0,0,0,0,0|1,0,1]=3 997 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,0,0,0,0,0|2,0,1]=4 998 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,0,0,0,0,0|2,0,1]=4 999 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,0,0,0,0,0|2,0,1]=4 1000 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,0,0,0,0,0|2,0,1]=4 1001 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [1,0,0,0,0,0|2,0,1]=4 1002 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [1,0,0,0,0,0|2,0,1]=4 1003 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [1,0,0,0,0,0|2,0,1]=4 1004 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [1,0,0,0,0,0|2,0,1]=4 1005 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [1,0,0,0,0,0|2,0,1]=4 1006 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [1,0,0,0,0,0|2,0,1]=4 1007 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [1,0,0,0,0,0|2,0,1]=4 1008 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [1,0,0,0,0,0|3,0,0]=4 1009 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [1,0,0,0,0,0|3,0,0]=4 1010 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [1,0,0,0,0,0|3,0,0]=4 1011 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [1,0,0,0,0,0|2,0,0]=3 1012 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [1,0,0,0,0,0|2,0,0]=3 1013 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [1,0,0,0,0,0|2,0,0]=3 1014 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [1,0,0,0,0,0|2,0,0]=3 1015 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [1,0,0,0,0,0|3,0,0]=4 1016 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [1,0,0,0,0,0|3,0,0]=4 1017 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [1,0,0,0,0,0|3,0,0]=4 1018 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [1,0,0,0,0,0|3,0,0]=4 1019 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [1,0,0,0,0,0|3,0,0]=4 1020 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [1,0,0,0,0,0|3,0,0]=4 1021 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [1,0,0,0,0,0|3,0,0]=4 1022 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [1,0,0,0,0,0|3,0,0]=4 1023 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [1,0,0,0,0,0|3,0,0]=4 1024 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [1,0,0,0,0,0|3,0,0]=4 1025 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [1,0,0,0,0,0|3,0,0]=4 1026 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [1,0,0,0,0,0|3,0,0]=4 1027 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [1,0,0,0,0,0|3,0,0]=4 1028 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [1,0,0,0,0,0|2,0,0]=3 1029 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [1,0,0,0,0,0|2,0,0]=3 1030 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [1,0,0,0,0,0|2,0,0]=3 1031 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [1,0,0,0,0,0|3,0,0]=4 1032 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [1,0,0,0,0,0|3,0,0]=4 1033 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [1,0,0,0,0,0|2,0,0]=3 1034 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [1,0,0,0,0,0|2,0,0]=3 1035 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [1,0,0,0,0,0|2,0,1]=4 1036 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [1,0,0,0,0,0|2,0,1]=4 1037 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [1,0,0,0,0,0|2,0,1]=4 1038 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [1,0,0,0,0,0|2,0,1]=4 1039 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,0,0,0,0,0|1,0,1]=3 1040 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,0,0,0,0,0|1,0,1]=3 1041 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [1,0,0,0,0,0|2,0,1]=4 1042 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [1,0,0,0,0,0|2,0,1]=4 1043 B8R0.4 CCSCCNCCF 2230a_100000106463_100011217306 [1,0,0,0,0,0|3,0,0]=4 1044 B8R0.4 CCSCCNCCF 34a_100000724931_100000757381 [1,0,0,0,0,0|3,0,0]=4 1045 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [1,0,0,0,0,0|2,0,0]=3 1046 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [1,0,0,0,0,0|2,0,0]=3 1047 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [1,0,0,0,0,0|2,0,0]=3 1048 B8R0.4 CCSCCOCCBr 34a_100000211926_100000757381 [1,0,0,0,0,0|3,0,0]=4 1049 B8R0.4 CCSCCOCCF 34a_100000212035_100011217306 [1,0,0,0,0,0|3,0,0]=4 1050 B8R0.4 CCSCCOCCF 7a_100000212035_100011217306 [1,0,0,0,0,0|3,0,0]=4 1051 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [1,0,0,0,0,0|3,0,0]=4 1052 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [1,0,0,0,0,0|2,0,0]=3 1053 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [1,0,0,0,0,0|2,0,0]=3 1054 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [1,0,0,0,0,0|2,0,0]=3 1055 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [1,0,0,0,0,0|2,0,0]=3 1056 B8R0.4 CCSCCSCCF 62a_100000757381_100011217306 [1,0,0,0,0,0|3,0,0]=4 1057 B8R0.4 CCSCCSCCF 62a_100011217306_100000757381 [1,0,0,0,0,0|3,0,0]=4 1058 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [1,0,0,0,0,0|2,0,0]=3 1059 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [1,0,0,0,0,0|2,0,0]=3 1060 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [1,0,0,0,0,0|2,0,1]=4 1061 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [1,0,0,0,0,0|2,0,1]=4 1062 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [1,0,0,0,0,0|2,0,1]=4 1063 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,0,0,0,0,0|1,0,1]=3 1064 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,0,0,0,0,0|1,0,1]=3 1065 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,0,0,0,0,0|1,0,1]=3 1066 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,0,0,0,0,0|1,0,1]=3 1067 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,0,0,0,0,0|1,0,1]=3 1068 B8R0.4 CNCCCOCCF 34a_100000213112_100011217306 [1,0,0,0,0,0|3,0,0]=4 1069 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [1,0,0,0,0,0|2,0,0]=3 1070 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [1,0,0,0,0,0|2,0,1]=4 1071 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [1,0,0,0,0,0|2,0,1]=4 1072 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [1,0,0,0,0,0|2,0,1]=4 1073 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [1,0,0,0,0,0|2,0,1]=4 1074 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [1,0,0,0,0,0|2,0,1]=4 1075 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [1,0,0,0,0,0|2,0,1]=4 1076 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [1,0,0,0,0,0|2,0,1]=4 1077 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [1,0,0,0,0,0|2,0,1]=4 1078 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,0,0,0,0,0|1,0,1]=3 1079 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [1,0,0,0,0,0|3,0,0]=4 1080 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [1,0,0,0,0,0|3,0,0]=4 1081 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [1,0,0,0,0,0|2,0,0]=3 1082 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [1,0,0,0,0,0|2,0,0]=3 1083 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [1,0,0,0,0,0|2,0,0]=3 1084 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [1,0,0,0,0,0|3,0,0]=4 1085 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [1,0,0,0,0,0|3,0,0]=4 1086 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [1,0,0,0,0,0|3,0,0]=4 1087 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [1,0,0,0,0,0|2,0,0]=3 1088 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [1,0,0,0,0,0|3,0,0]=4 1089 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [1,0,0,0,0,0|3,0,0]=4 1090 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [1,0,0,0,0,0|2,0,0]=3 1091 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [1,0,0,0,0,0|2,0,0]=3 1092 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [1,0,0,0,0,0|2,0,1]=4 1093 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [1,0,0,0,0,0|2,0,1]=4 1094 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [1,0,0,0,0,0|2,0,1]=4 1095 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [1,0,0,0,0,0|2,0,1]=4 1096 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [1,0,0,0,0,0|2,0,1]=4 1097 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [1,0,0,0,0,0|2,0,1]=4 1098 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [1,0,0,0,0,0|2,0,1]=4 1099 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [1,0,0,0,0,0|2,0,1]=4 1100 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [1,0,0,0,0,0|2,0,1]=4 1101 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,0,0,0,0,0|1,0,1]=3 1102 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,0,0,0,0,0|1,0,1]=3 1103 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [1,0,0,0,0,0|3,0,0]=4 1104 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [1,0,0,0,0,0|2,0,0]=3 1105 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [1,0,0,0,0,0|3,0,0]=4 1106 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [1,0,0,0,0,0|3,0,0]=4 1107 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [1,0,0,0,0,0|2,0,0]=3 1108 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [1,0,0,0,0,0|2,0,0]=3 1109 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [1,0,0,0,0,0|2,0,1]=4 1110 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [1,0,0,0,0,0|2,0,1]=4 1111 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [1,0,0,0,0,0|2,0,1]=4 1112 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [1,0,0,0,0,0|2,0,1]=4 1113 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [1,0,0,0,0,0|2,0,1]=4 1114 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [1,0,0,0,0,0|2,0,1]=4 1115 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [1,0,0,0,0,0|2,0,1]=4 1116 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [1,0,0,0,0,0|2,0,1]=4 1117 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [1,0,0,0,0,0|2,0,1]=4 1118 B8R0.4 FCCCCNCCF 34a_100000724931_100000729493 [1,0,0,0,0,0|3,0,0]=4 1119 B8R0.4 FCCCCOCCBr 34a_100000211926_100000729493 [1,0,0,0,0,0|3,0,0]=4 1120 B8R0.4 FCCCCOCCF 34a_100011995726_100011217306 [1,0,0,0,0,0|3,0,0]=4 1121 B8R0.4 FCCCCOCCF 7a_100011995726_100011217306 [1,0,0,0,0,0|3,0,0]=4 1122 B8R0.4 FCCCCSCCF 62a_100000729493_100011217306 [1,0,0,0,0,0|3,0,0]=4 1123 B8R0.4 FCCCCSCCF 62a_100011217306_100000729493 [1,0,0,0,0,0|3,0,0]=4 1124 B8R0.4 FCCOCCCCBr 34a_100011216708_100011217306 [1,0,0,0,0,0|3,0,0]=4 1125 B8R0.4 FCCOCCCCCl 34a_100000210776_100011217306 [1,0,0,0,0,0|3,0,0]=4 1126 B8R0.4 FCCOCCCCCl 7a_100000210776_100011217306 [1,0,0,0,0,0|3,0,0]=4 1127 B8R0.4 FCCOCCCCI 34a_200012148704_100011217306 [1,0,0,0,0,0|3,0,0]=4 1128 B8R0.4 N#CCCCNCCO 2230a_100016997473_100000687738 [1,0,0,0,0,0|2,0,1]=4 1129 B8R0.4 N#CCCCSCCO 62a_100000211926_100000687738 [1,0,0,0,0,0|2,0,1]=4 1130 B8R0.4 N#CCCCSCCO 62a_100000687738_100000211926 [1,0,0,0,0,0|2,0,1]=4 1131 B8R0.4 NCCCCOCCF 34a_100000750430_100011217306 [1,0,0,0,0,0|3,0,0]=4 1132 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [1,0,0,0,0,0|2,0,0]=3 1133 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [1,0,0,0,0,0|2,0,1]=4 1134 B8R0.4 NCCOCCCCF 34a_100000210304_100000729493 [1,0,0,0,0,0|3,0,0]=4 1135 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [1,0,0,0,0,0|2,0,1]=4 1136 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [1,0,0,0,0,0|2,0,1]=4 1137 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [1,0,0,0,0,0|2,0,1]=4 1138 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [1,0,0,0,0,0|2,0,1]=4 1139 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [1,0,0,0,0,0|2,0,1]=4 1140 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [1,0,0,0,0,0|2,0,1]=4 1141 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [1,0,0,0,0,0|2,0,1]=4 1142 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [1,0,0,0,0,0|2,0,1]=4 1143 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [1,0,0,0,0,0|2,0,1]=4 1144 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [1,0,0,0,0,0|2,0,1]=4 1145 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [1,0,0,0,0,0|2,0,0]=3 1146 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [1,0,0,0,0,0|2,0,0]=3 1147 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [1,0,0,0,0,0|2,0,0]=3 1148 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [1,0,0,0,0,0|2,0,0]=3 1149 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [1,0,0,0,0,0|2,0,1]=4 1150 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [1,0,0,0,0,0|2,0,1]=4 1151 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [1,0,0,0,0,0|2,0,1]=4 1152 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [1,0,0,0,0,0|2,0,0]=3 1153 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [1,0,0,0,0,0|2,0,0]=3 1154 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [1,0,0,0,0,0|2,0,1]=4 1155 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [1,0,0,0,0,0|2,0,1]=4 1156 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [1,0,0,0,0,0|2,0,1]=4 1157 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [1,0,0,0,0,0|2,0,1]=4 1158 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [1,0,0,0,0,0|2,0,1]=4 1159 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [1,0,0,0,0,0|2,0,1]=4 1160 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [1,0,0,0,0,0|2,0,1]=4 1161 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [1,0,0,0,0,0|2,0,1]=4 1162 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [1,0,0,0,0,0|2,0,0]=3 1163 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [1,0,0,0,0,0|2,0,0]=3 1164 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [1,0,0,0,0,0|2,0,0]=3 1165 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [1,0,0,0,0,0|2,0,0]=3 1166 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [1,0,0,0,0,0|2,0,0]=3 1167 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [1,0,0,0,0,0|2,0,0]=3 1168 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [1,0,0,0,0,0|2,0,0]=3 1169 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [1,0,0,0,0,0|2,0,0]=3 1170 B8R0.4 OCCOCCNCF 34a_100000211614_100015361967 [1,0,0,0,0,0|3,0,0]=4 1171 B8R0.4 OCCOCCSCF 62a_100011215305_100015361967 [1,0,0,0,0,0|3,0,0]=4 1172 B8R0.4 OCCOCCSCF 62a_100015361967_100011215305 [1,0,0,0,0,0|3,0,0]=4 1173 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [1,0,0,0,0,0|2,0,0]=3 1174 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [1,0,0,0,0,0|2,0,0]=3 1175 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,0,0,0,0,0|1,0,1]=3 1176 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,0,0,0,0,0|1,0,1]=3 1177 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [1,0,0,0,0,0|2,0,1]=4 1178 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [1,0,0,0,0,0|2,0,1]=4 1179 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [1,0,0,0,0,0|2,0,1]=4 1180 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [1,0,0,0,0,0|2,0,1]=4 1181 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [1,0,0,0,0,0|2,0,1]=4 1182 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [1,0,0,0,0,0|2,0,1]=4 1183 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [1,0,0,0,0,0|2,0,1]=4 1184 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [1,0,0,0,0,0|2,0,1]=4 1185 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [1,0,0,0,0,0|2,0,1]=4 1186 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,0,0,0,0,0|1,0,1]=3 1187 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,0,0,0,0,0|1,0,1]=3 1188 B10R0.1 C#CCC(=O)C=CCCCC 1458a_100016266645_100000184674 [0,1,0,0,0,0|1,0,2]=4 1189 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [0,1,0,0,0,0|1,0,2]=4 1190 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [0,1,0,0,0,0|1,0,2]=4 1191 B10R0.1 C#CCC(=O)NCCCCC 1626a_100000209983_100011220946 [0,1,0,0,0,0|2,0,1]=4 1192 B10R0.1 C#CCC(=O)NCCCCC 527a_100000209983_100011220946 [0,1,0,0,0,0|2,0,1]=4 1193 B10R0.1 C#CCCCCC(=O)CCO 1458a_100000696528_100000211926 [0,1,0,0,0,0|0,0,3]=4 1194 B10R0.1 C#CCCCCC(=O)CCO 1458a_100011216618_100010269958 [0,1,0,0,0,0|0,0,3]=4 1195 B10R0.1 C#CCCCNC(=O)CCO 240690a_100000718082_100011216618 [0,1,0,0,0,0|1,0,2]=4 1196 B10R0.1 C=CCC(=O)C=CCCCC 1458a_100016266645_100000210623 [0,1,0,0,0,0|1,0,2]=4 1197 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,1,0,0,0,0|1,0,2]=4 1198 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,1,0,0,0,0|1,0,2]=4 1199 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [0,1,0,0,0,0|2,0,1]=4 1200 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [0,1,0,0,0,0|2,0,1]=4 1201 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [0,1,0,0,0,0|2,0,1]=4 1202 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [0,1,0,0,0,0|2,0,1]=4 1203 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [0,1,0,0,0,0|0,0,3]=4 1204 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [0,1,0,0,0,0|0,0,3]=4 1205 B10R0.1 C=CCCCNC(=O)CCO 240690a_100000700776_100011216618 [0,1,0,0,0,0|1,0,2]=4 1206 B10R0.1 CC(CCN)COCCCO 34a_106354213184_100000230001 [0,1,0,0,0,0|2,0,1]=4 1207 B10R0.1 CC(CCO)NCCCCO 2230a_100000750430_100009893172 [0,1,0,0,0,0|2,0,1]=4 1208 B10R0.1 CC(CCO)NCCCCO 34a_100000750430_100009893172 [0,1,0,0,0,0|2,0,1]=4 1209 B10R0.1 CC(CCO)OCCCCBr 34a_100011216708_100009893172 [0,1,0,0,0,0|2,0,1]=4 1210 B10R0.1 CC(CCO)OCCCCCl 34a_100000210776_100009893172 [0,1,0,0,0,0|2,0,1]=4 1211 B10R0.1 CC(CCO)OCCCCCl 7a_100000210776_100009893172 [0,1,0,0,0,0|2,0,1]=4 1212 B10R0.1 CC(CCO)OCCCCF 34a_100011995726_100009893172 [0,1,0,0,0,0|2,0,1]=4 1213 B10R0.1 CC(CCO)OCCCCF 7a_100011995726_100009893172 [0,1,0,0,0,0|2,0,1]=4 1214 B10R0.1 CC(CCO)OCCCCI 34a_200012148704_100009893172 [0,1,0,0,0,0|2,0,1]=4 1215 B10R0.1 CC(CCO)OCCCCN 34a_100000750430_100009893172 [0,1,0,0,0,0|2,0,1]=4 1216 B10R0.1 CC(CCO)SCCCCF 62a_100000729493_100009893172 [0,1,0,0,0,0|2,0,1]=4 1217 B10R0.1 CC(CCO)SCCCCF 62a_100009893172_100000729493 [0,1,0,0,0,0|2,0,1]=4 1218 B10R0.1 CC(CCO)SCCCCO 62a_100000210776_100009893172 [0,1,0,0,0,0|2,0,1]=4 1219 B10R0.1 CC(CCO)SCCCCO 62a_100009893172_100000210776 [0,1,0,0,0,0|2,0,1]=4 1220 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [0,1,0,0,0,0|0,0,3]=4 1221 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [0,1,0,0,0,0|1,0,1]=3 1222 B10R0.1 CCC/C=C/CC(=O)CCF 1458a_200016266809_100011217306 [0,1,0,0,0,0|2,0,1]=4 1223 B10R0.1 CCC/C=C/CC(=O)CCO 1458a_200016266809_100000211926 [0,1,0,0,0,0|0,0,3]=4 1224 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [0,1,0,0,0,0|2,0,1]=4 1225 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [0,1,0,0,0,0|2,0,1]=4 1226 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [0,1,0,0,0,0|2,0,1]=4 1227 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,1,0,0,0,0|2,0,1]=4 1228 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,1,0,0,0,0|0,0,3]=4 1229 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,1,0,0,0,0|0,0,3]=4 1230 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,1,0,0,0,0|2,0,1]=4 1231 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,1,0,0,0,0|2,0,1]=4 1232 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [0,1,0,0,0,0|1,0,2]=4 1233 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [0,1,0,0,0,0|1,0,2]=4 1234 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [0,1,0,0,0,0|1,0,2]=4 1235 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [0,1,0,0,0,0|1,0,2]=4 1236 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [0,1,0,0,0,0|3,0,0]=4 1237 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [0,1,0,0,0,0|3,0,0]=4 1238 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [0,1,0,0,0,0|3,0,0]=4 1239 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [0,1,0,0,0,0|3,0,0]=4 1240 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [0,1,0,0,0,0|3,0,0]=4 1241 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [0,1,0,0,0,0|3,0,0]=4 1242 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [0,1,0,0,0,0|3,0,0]=4 1243 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [0,1,0,0,0,0|3,0,0]=4 1244 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [0,1,0,0,0,0|3,0,0]=4 1245 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [0,1,0,0,0,0|3,0,0]=4 1246 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [0,1,0,0,0,0|3,0,0]=4 1247 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [0,1,0,0,0,0|3,0,0]=4 1248 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [0,1,0,0,0,0|3,0,0]=4 1249 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [0,1,0,0,0,0|3,0,0]=4 1250 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [0,1,0,0,0,0|3,0,0]=4 1251 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [0,1,0,0,0,0|3,0,0]=4 1252 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [0,1,0,0,0,0|3,0,0]=4 1253 B10R0.1 CCCC(C)C=NNCCO 4a_100000210001_100000243154 [0,1,0,0,0,0|2,0,1]=4 1254 B10R0.1 CCCC(C)CCOCCF 34a_100011217855_100011217306 [0,1,0,0,0,0|2,0,1]=4 1255 B10R0.1 CCCC(C)CCOCCF 7a_100011217855_100011217306 [0,1,0,0,0,0|2,0,1]=4 1256 B10R0.1 CCCC(C)CCOCCO 34a_100011217855_100000211926 [0,1,0,0,0,0|1,0,1]=3 1257 B10R0.1 CCCC(C)CCOCCO 7a_100011217855_100000211926 [0,1,0,0,0,0|1,0,1]=3 1258 B10R0.1 CCCC(C)CNCCCF 2230a_100015189416_100011216630 [0,1,0,0,0,0|2,0,1]=4 1259 B10R0.1 CCCC(C)CNCCCF 270004a_100015189416_100000243154 [0,1,0,0,0,0|2,0,1]=4 1260 B10R0.1 CCCC(C)CNCCCF 34a_100015189416_100011216630 [0,1,0,0,0,0|2,0,1]=4 1261 B10R0.1 CCCC(C)CNCCCO 270004a_100000182051_100000243154 [0,1,0,0,0,0|1,0,1]=3 1262 B10R0.1 CCCC(C)COCCCBr 34a_100011217188_100011216630 [0,1,0,0,0,0|2,0,1]=4 1263 B10R0.1 CCCC(C)COCCCCl 34a_100000230001_100011216630 [0,1,0,0,0,0|2,0,1]=4 1264 B10R0.1 CCCC(C)COCCCF 34a_100000688023_100011934791 [0,1,0,0,0,0|2,0,1]=4 1265 B10R0.1 CCCC(C)COCCCF 34a_100000759539_100011216630 [0,1,0,0,0,0|2,0,1]=4 1266 B10R0.1 CCCC(C)COCCCF 7a_100000688023_100011934791 [0,1,0,0,0,0|2,0,1]=4 1267 B10R0.1 CCCC(C)COCCCN 34a_100000182051_100011216630 [0,1,0,0,0,0|2,0,1]=4 1268 B10R0.1 CCCC(C)COCCCO 34a_100000688023_100000230001 [0,1,0,0,0,0|1,0,1]=3 1269 B10R0.1 CCCC(C)COCCCO 7a_100000688023_100011215043 [0,1,0,0,0,0|1,0,1]=3 1270 B10R0.1 CCCC(C)CSCCCF 62a_100011216630_100011934791 [0,1,0,0,0,0|2,0,1]=4 1271 B10R0.1 CCCC(C)CSCCCF 62a_100011934791_100011216630 [0,1,0,0,0,0|2,0,1]=4 1272 B10R0.1 CCCC(C)CSCCCO 62a_100011215043_100011216630 [0,1,0,0,0,0|1,0,1]=3 1273 B10R0.1 CCCC(C)CSCCCO 62a_100011216630_100011215043 [0,1,0,0,0,0|1,0,1]=3 1274 B10R0.1 CCCC(C)NCCCCO 2230a_100000741246_100000210776 [0,1,0,0,0,0|1,0,2]=4 1275 B10R0.1 CCCC(C)NCCCCO 2230a_100000750430_100000766640 [0,1,0,0,0,0|1,0,2]=4 1276 B10R0.1 CCCC(C)NCCCCO 270004a_100000750430_100000211909 [0,1,0,0,0,0|1,0,2]=4 1277 B10R0.1 CCCC(C)NCCCCO 34a_100000750430_100000766640 [0,1,0,0,0,0|1,0,2]=4 1278 B10R0.1 CCCC(C)OCCCCO 34a_100000764384_100011216708 [0,1,0,0,0,0|1,0,2]=4 1279 B10R0.1 CCCC(C)OCCCCO 7a_100000764384_100000210776 [0,1,0,0,0,0|1,0,2]=4 1280 B10R0.1 CCCC(C)SCCCCO 62a_100000210776_100000766640 [0,1,0,0,0,0|1,0,2]=4 1281 B10R0.1 CCCC(C)SCCCCO 62a_100000766640_100000210776 [0,1,0,0,0,0|1,0,2]=4 1282 B10R0.1 CCCCC=CC(=O)CC#N 1458a_100016266645_100011214920 [0,1,0,0,0,0|1,0,2]=4 1283 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [0,1,0,0,0,0|1,0,1]=3 1284 B10R0.1 CCCCC=CC(=O)CCF 1458a_100016266645_100011217306 [0,1,0,0,0,0|1,0,1]=3 1285 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [0,1,0,0,0,0|0,0,1]=2 1286 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [0,1,0,0,0,0|2,0,1]=4 1287 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [0,1,0,0,0,0|2,0,1]=4 1288 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [0,1,0,0,0,0|1,0,2]=4 1289 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [0,1,0,0,0,0|1,0,2]=4 1290 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,1,0,0,0,0|1,0,1]=3 1291 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,1,0,0,0,0|1,0,1]=3 1292 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,1,0,0,0,0|1,0,1]=3 1293 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,1,0,0,0,0|0,0,1]=2 1294 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,1,0,0,0,0|0,0,1]=2 1295 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,1,0,0,0,0|2,0,1]=4 1296 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,1,0,0,0,0|2,0,1]=4 1297 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,1,0,0,0,0|2,0,1]=4 1298 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,1,0,0,0,0|2,0,1]=4 1299 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,1,0,0,0,0|2,0,1]=4 1300 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [0,1,0,0,0,0|2,0,1]=4 1301 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [0,1,0,0,0,0|2,0,1]=4 1302 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [0,1,0,0,0,0|2,0,1]=4 1303 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [0,1,0,0,0,0|2,0,1]=4 1304 B10R0.1 CCCCCCN(C)CCF 2230a_106256046315_100011217306 [0,1,0,0,0,0|2,0,1]=4 1305 B10R0.1 CCCCCCN(C)CCF 269982a_106256046315_100011217306 [0,1,0,0,0,0|2,0,1]=4 1306 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [0,1,0,0,0,0|1,0,1]=3 1307 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [0,1,0,0,0,0|1,0,1]=3 1308 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [0,1,0,0,0,0|1,0,1]=3 1309 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [0,1,0,0,0,0|1,0,1]=3 1310 B10R0.1 CCCCCNC(=O)CC#N 1626a_100000209983_100051588842 [0,1,0,0,0,0|2,0,1]=4 1311 B10R0.1 CCCCCNC(=O)CC#N 240690a_100000209983_100051588842 [0,1,0,0,0,0|2,0,1]=4 1312 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,1,0,0,0,0|2,0,0]=3 1313 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,1,0,0,0,0|2,0,0]=3 1314 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,1,0,0,0,0|2,0,0]=3 1315 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,1,0,0,0,0|2,0,0]=3 1316 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,1,0,0,0,0|1,0,0]=2 1317 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [0,1,0,0,0,0|3,0,0]=4 1318 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [0,1,0,0,0,0|3,0,0]=4 1319 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [0,1,0,0,0,0|3,0,0]=4 1320 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,1,0,0,0,0|3,0,0]=4 1321 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,1,0,0,0,0|3,0,0]=4 1322 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,1,0,0,0,0|3,0,0]=4 1323 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,1,0,0,0,0|3,0,0]=4 1324 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,1,0,0,0,0|3,0,0]=4 1325 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [0,1,0,0,0,0|3,0,0]=4 1326 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [0,1,0,0,0,0|3,0,0]=4 1327 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [0,1,0,0,0,0|3,0,0]=4 1328 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [0,1,0,0,0,0|3,0,0]=4 1329 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [0,1,0,0,0,0|3,0,0]=4 1330 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [0,1,0,0,0,0|3,0,0]=4 1331 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [0,1,0,0,0,0|3,0,0]=4 1332 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [0,1,0,0,0,0|3,0,0]=4 1333 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,1,0,0,0,0|3,0,0]=4 1334 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,1,0,0,0,0|3,0,0]=4 1335 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,1,0,0,0,0|3,0,0]=4 1336 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,1,0,0,0,0|3,0,0]=4 1337 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,1,0,0,0,0|3,0,0]=4 1338 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,1,0,0,0,0|3,0,0]=4 1339 B10R0.1 CCCCCNC(C)CCC 2230a_100000209983_100000766640 [0,1,0,0,0,0|2,0,1]=4 1340 B10R0.1 CCCCCNC(C)CCC 2230a_100000741246_100000210326 [0,1,0,0,0,0|2,0,1]=4 1341 B10R0.1 CCCCCNC(C)CCC 270004a_100000209983_100000211909 [0,1,0,0,0,0|2,0,1]=4 1342 B10R0.1 CCCCCNC(C)CCO 2230a_100000209983_100009893172 [0,1,0,0,0,0|1,0,1]=3 1343 B10R0.1 CCCCCN[C@H](C)CCO 2230a_100000706166_100000210326 [0,1,0,0,0,0|1,0,1]=3 1344 B10R0.1 CCCCCN[C@H](C)CCO 34a_100000706166_100000718602 [0,1,0,0,0,0|1,0,1]=3 1345 B10R0.1 CCCCCOC(C)CCBr 34a_100012276601_100000718602 [0,1,0,0,0,0|2,0,1]=4 1346 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [0,1,0,0,0,0|2,0,1]=4 1347 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [0,1,0,0,0,0|2,0,1]=4 1348 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [0,1,0,0,0,0|2,0,1]=4 1349 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [0,1,0,0,0,0|2,0,1]=4 1350 B10R0.1 CCCCCOC(C)CCO 34a_100000210253_100009893172 [0,1,0,0,0,0|1,0,1]=3 1351 B10R0.1 CCCCCOC(C)CCO 7a_100000210253_100009893172 [0,1,0,0,0,0|1,0,1]=3 1352 B10R0.1 CCCCCSC(C)CCC 62a_100000210326_100000766640 [0,1,0,0,0,0|2,0,1]=4 1353 B10R0.1 CCCCCSC(C)CCC 62a_100000766640_100000210326 [0,1,0,0,0,0|2,0,1]=4 1354 B10R0.1 CCCCCSC(C)CCO 62a_100000210326_100009893172 [0,1,0,0,0,0|1,0,1]=3 1355 B10R0.1 CCCCCSC(C)CCO 62a_100009893172_100000210326 [0,1,0,0,0,0|1,0,1]=3 1356 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,1,0,0,0,0|2,0,1]=4 1357 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,1,0,0,0,0|2,0,1]=4 1358 B10R0.1 CCCCNCC(=O)NCO 2230a_100000102301_100000185155 [0,1,0,0,0,0|2,0,1]=4 1359 B10R0.1 CCCCNCC(=O)NCO 7a_106832991798_100000185155 [0,1,0,0,0,0|2,0,1]=4 1360 B10R0.1 CCCCNCC(C)CCC 2230a_100000102301_100011216630 [0,1,0,0,0,0|2,0,1]=4 1361 B10R0.1 CCCCNCC(C)CCC 270004a_100000102301_100000243154 [0,1,0,0,0,0|2,0,1]=4 1362 B10R0.1 CCCCNCC(C)CCC 7a_106832991798_100011216630 [0,1,0,0,0,0|2,0,1]=4 1363 B10R0.1 CCCCNN=C(C)CCC 4a_100025702795_100000211909 [0,1,0,0,0,0|3,0,0]=4 1364 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [0,1,0,0,0,0|3,0,0]=4 1365 B10R0.1 CCCCNNC(=O)CCO 22a_100025702795_100011216618 [0,1,0,0,0,0|2,0,0]=3 1366 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,1,0,0,0,0|2,0,1]=4 1367 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,1,0,0,0,0|2,0,1]=4 1368 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,1,0,0,0,0|2,0,1]=4 1369 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [0,1,0,0,0,0|2,0,1]=4 1370 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,1,0,0,0,0|1,0,1]=3 1371 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,1,0,0,0,0|1,0,1]=3 1372 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [0,1,0,0,0,0|2,0,1]=4 1373 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [0,1,0,0,0,0|2,0,1]=4 1374 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [0,1,0,0,0,0|2,0,1]=4 1375 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [0,1,0,0,0,0|2,0,1]=4 1376 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [0,1,0,0,0,0|2,0,1]=4 1377 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [0,1,0,0,0,0|2,0,1]=4 1378 B10R0.1 CCCCOCN(C)CCO 2230a_100000210263_100011995733 [0,1,0,0,0,0|2,0,1]=4 1379 B10R0.1 CCCCOCN(C)CCO 269982a_100000210263_100011995733 [0,1,0,0,0,0|2,0,1]=4 1380 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [0,1,0,0,0,0|2,0,1]=4 1381 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,1,0,0,0,0|2,0,1]=4 1382 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,1,0,0,0,0|2,0,1]=4 1383 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,1,0,0,0,0|2,0,1]=4 1384 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [0,1,0,0,0,0|2,0,1]=4 1385 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,1,0,0,0,0|1,0,1]=3 1386 B10R0.1 CCCCSCC(=O)NCO 62a_100000185155_100000210210 [0,1,0,0,0,0|2,0,1]=4 1387 B10R0.1 CCCCSCC(=O)NCO 62a_100000210211_100000185155 [0,1,0,0,0,0|2,0,1]=4 1388 B10R0.1 CCCCSCC(C)CCC 62a_100000210211_100011216630 [0,1,0,0,0,0|2,0,1]=4 1389 B10R0.1 CCCCSCC(C)CCC 62a_100011216630_100000210210 [0,1,0,0,0,0|2,0,1]=4 1390 B10R0.1 CCCN(C)CCCCCO 2230a_100000722520_100000210303 [0,1,0,0,0,0|1,0,2]=4 1391 B10R0.1 CCCN(C)CCCCCO 2230a_100000747261_100000746330 [0,1,0,0,0,0|1,0,2]=4 1392 B10R0.1 CCCN(C)CCCCCO 269982a_100000722520_100000210303 [0,1,0,0,0,0|1,0,2]=4 1393 B10R0.1 CCCN(C)CCCCCO 269982a_100000747261_100000746330 [0,1,0,0,0,0|1,0,2]=4 1394 B10R0.1 CCCN(C)CCOCCO 2230a_100000228057_100000210303 [0,1,0,0,0,0|2,0,1]=4 1395 B10R0.1 CCCN(C)CCOCCO 2230a_100000747261_100011215305 [0,1,0,0,0,0|2,0,1]=4 1396 B10R0.1 CCCN(C)CCOCCO 269982a_100000228057_100000210303 [0,1,0,0,0,0|2,0,1]=4 1397 B10R0.1 CCCN(C)CCOCCO 269982a_100000747261_100011215305 [0,1,0,0,0,0|2,0,1]=4 1398 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,1,0,0,0,0|2,0,1]=4 1399 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,1,0,0,0,0|1,0,1]=3 1400 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [0,1,0,0,0,0|2,0,1]=4 1401 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [0,1,0,0,0,0|2,0,1]=4 1402 B10R0.1 CCCOCCN(C)CCO 2230a_100000210263_100011215938 [0,1,0,0,0,0|2,0,1]=4 1403 B10R0.1 CCCOCCN(C)CCO 269982a_100000210263_100011215938 [0,1,0,0,0,0|2,0,1]=4 1404 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [0,1,0,0,0,0|2,0,1]=4 1405 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [0,1,0,0,0,0|3,0,0]=4 1406 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [0,1,0,0,0,0|3,0,0]=4 1407 B10R0.1 CCC[C@H](N)CCOCCF 34a_100015193777_100011217306 [0,1,0,0,0,0|2,0,1]=4 1408 B10R0.1 CCC[C@H](N)CCOCCO 34a_100015193777_100000211926 [0,1,0,0,0,0|1,0,1]=3 1409 B10R0.1 CCC[C@H](N)COCCCF 34a_100000732646_100011934791 [0,1,0,0,0,0|2,0,1]=4 1410 B10R0.1 CCC[C@H](N)COCCCO 34a_100000732646_100000230001 [0,1,0,0,0,0|1,0,1]=3 1411 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [0,1,0,0,0,0|1,0,1]=3 1412 B10R0.1 CCOCCCN(C)CCO 2230a_100000210263_100012232248 [0,1,0,0,0,0|2,0,1]=4 1413 B10R0.1 CCOCCCN(C)CCO 269982a_100000210263_100012232248 [0,1,0,0,0,0|2,0,1]=4 1414 B10R0.1 CCOCCNC(=O)CCO 240690a_100011200944_100011216618 [0,1,0,0,0,0|2,0,0]=3 1415 B10R0.1 CCOCCNC(C)CCO 2230a_102516460346_100009893172 [0,1,0,0,0,0|2,0,1]=4 1416 B10R0.1 CCOCCNC(C)CCO 34a_102516460346_100009893172 [0,1,0,0,0,0|2,0,1]=4 1417 B10R0.1 CCOCCN[C@H](C)CCO 2230a_100000706166_100011215890 [0,1,0,0,0,0|2,0,1]=4 1418 B10R0.1 CCOCCN[C@H](C)CCO 34a_100000706166_100000210147 [0,1,0,0,0,0|2,0,1]=4 1419 B10R0.1 CCOCCOC(C)CCO 34a_100000210136_100009893172 [0,1,0,0,0,0|2,0,1]=4 1420 B10R0.1 CCOCCOC(C)CCO 7a_100000210136_100009893172 [0,1,0,0,0,0|2,0,1]=4 1421 B10R0.1 CCOCCSC(C)CCO 62a_100000210147_100009893172 [0,1,0,0,0,0|2,0,1]=4 1422 B10R0.1 CCOCCSC(C)CCO 62a_100009893172_100011215890 [0,1,0,0,0,0|2,0,1]=4 1423 B10R0.1 CCSCCNC(=O)CCO 240690a_100000106463_100011216618 [0,1,0,0,0,0|2,0,0]=3 1424 B10R0.1 CCSCCNC(C)CCO 2230a_100000106463_100009893172 [0,1,0,0,0,0|2,0,1]=4 1425 B10R0.1 CCSCCN[C@H](C)CCO 2230a_100000706166_100000757381 [0,1,0,0,0,0|2,0,1]=4 1426 B10R0.1 CCSCCN[C@H](C)CCO 34a_100000706166_100000757381 [0,1,0,0,0,0|2,0,1]=4 1427 B10R0.1 CCSCCOC(C)CCO 34a_100000212035_100009893172 [0,1,0,0,0,0|2,0,1]=4 1428 B10R0.1 CCSCCOC(C)CCO 7a_100000212035_100009893172 [0,1,0,0,0,0|2,0,1]=4 1429 B10R0.1 CCSCCSC(C)CCO 62a_100000757381_100009893172 [0,1,0,0,0,0|2,0,1]=4 1430 B10R0.1 CCSCCSC(C)CCO 62a_100009893172_100000757381 [0,1,0,0,0,0|2,0,1]=4 1431 B10R0.1 CN(CCO)CCCCCF 2230a_100000210263_100000729378 [0,1,0,0,0,0|2,0,1]=4 1432 B10R0.1 CN(CCO)CCCCCF 269982a_100000210263_100000729378 [0,1,0,0,0,0|2,0,1]=4 1433 B10R0.1 CN(CCO)CCCCCO 2230a_100000210263_100000746330 [0,1,0,0,0,0|2,0,1]=4 1434 B10R0.1 CN(CCO)CCCCCO 2230a_100000722520_100000211926 [0,1,0,0,0,0|2,0,1]=4 1435 B10R0.1 CN(CCO)CCCCCO 269982a_100000210263_100000746330 [0,1,0,0,0,0|2,0,1]=4 1436 B10R0.1 CN(CCO)CCCCCO 269982a_100000722520_100000211926 [0,1,0,0,0,0|2,0,1]=4 1437 B10R0.1 CNCCCOC(C)CCO 34a_100000213112_100009893172 [0,1,0,0,0,0|2,0,1]=4 1438 B10R0.1 COCC(N)COCCCO 34a_100000724102_100000230001 [0,1,0,0,0,0|2,0,1]=4 1439 B10R0.1 COCC(O)CNCCCO 2230a_100000756049_100000230001 [0,1,0,0,0,0|2,0,1]=4 1440 B10R0.1 COCC(O)CNCCCO 34a_100000756049_100000230001 [0,1,0,0,0,0|2,0,1]=4 1441 B10R0.1 COCC(O)CSCCCO 62a_100011215043_100011215053 [0,1,0,0,0,0|2,0,1]=4 1442 B10R0.1 COCC(O)CSCCCO 62a_100011215053_100011215043 [0,1,0,0,0,0|2,0,1]=4 1443 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [0,1,0,0,0,0|1,0,1]=3 1444 B10R0.1 COCCCCN(C)CCO 2230a_100000210263_100000730899 [0,1,0,0,0,0|2,0,1]=4 1445 B10R0.1 COCCCCN(C)CCO 269982a_100000210263_100000730899 [0,1,0,0,0,0|2,0,1]=4 1446 B10R0.1 COCCCNC(=O)CCO 240690a_100150723488_100011216618 [0,1,0,0,0,0|2,0,0]=3 1447 B10R0.1 COCCCNC(C)CCO 34a_100150723488_100009893172 [0,1,0,0,0,0|2,0,1]=4 1448 B10R0.1 COCCCN[C@H](C)CCO 2230a_100000706166_100000740836 [0,1,0,0,0,0|2,0,1]=4 1449 B10R0.1 COCCCN[C@H](C)CCO 34a_100000706166_100000740836 [0,1,0,0,0,0|2,0,1]=4 1450 B10R0.1 COCCCOC(C)CCO 34a_100000740835_100009893172 [0,1,0,0,0,0|2,0,1]=4 1451 B10R0.1 COCCCSC(C)CCO 62a_100000709357_100009893172 [0,1,0,0,0,0|2,0,1]=4 1452 B10R0.1 COCCCSC(C)CCO 62a_100009893172_100000709357 [0,1,0,0,0,0|2,0,1]=4 1453 B10R0.1 COCCNNC(=O)CCO 22a_100000741390_100011216618 [0,1,0,0,0,0|3,0,0]=4 1454 B10R0.1 COCCOCC(=O)CCO 1458a_100000211095_100000211926 [0,1,0,0,0,0|2,0,1]=4 1455 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [0,1,0,0,0,0|2,0,0]=3 1456 B10R0.1 CSCCCNC(C)CCO 2230a_100000749238_100009893172 [0,1,0,0,0,0|2,0,1]=4 1457 B10R0.1 CSCCCOC(C)CCO 34a_100000690336_100009893172 [0,1,0,0,0,0|2,0,1]=4 1458 B10R0.1 CSCCCOC(C)CCO 7a_100000690336_100009893172 [0,1,0,0,0,0|2,0,1]=4 1459 B10R0.1 C[C@H](CCO)NCCCCF 2230a_100000706166_100000729493 [0,1,0,0,0,0|2,0,1]=4 1460 B10R0.1 C[C@H](CCO)NCCCCF 34a_100000706166_100000729493 [0,1,0,0,0,0|2,0,1]=4 1461 B10R0.1 C[C@H](CCO)NCCCCO 2230a_100000706166_100000210776 [0,1,0,0,0,0|2,0,1]=4 1462 B10R0.1 C[C@H](CCO)NCCCCO 34a_100000706166_100011216708 [0,1,0,0,0,0|2,0,1]=4 1463 B10R0.1 N#CCCCCC(=O)CCO 1458a_100011216618_100000211819 [0,1,0,0,0,0|1,0,2]=4 1464 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [0,1,0,0,0,0|2,0,1]=4 1465 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,1,0,0,0,0|1,0,1]=3 1466 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,1,0,0,0,0|1,0,1]=3 1467 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,1,0,0,0,0|1,0,1]=3 1468 B10R0.1 O=C(CCO)CCOCCO 1458a_100011216618_100011215305 [0,1,0,0,0,0|2,0,1]=4 1469 B10R0.1 O=C(CCO)CCOCCO 1458a_100011229844_100000211926 [0,1,0,0,0,0|2,0,1]=4 1470 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [0,1,0,0,0,0|2,0,0]=3 1471 B10R0.4 C=C(C)COC/C=C/CCC 34a_100016278788_100000748629 [0,1,0,0,0,0|2,0,1]=4 1472 B10R0.4 C=C(C)COC/C=C/CCC 7a_100016278788_100000748629 [0,1,0,0,0,0|2,0,1]=4 1473 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,1,0,0,0,0|0,0,3]=4 1474 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,1,0,0,0,0|0,0,3]=4 1475 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,1,0,0,0,0|1,0,2]=4 1476 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,1,0,0,0,0|1,0,2]=4 1477 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,1,0,0,0,0|1,0,2]=4 1478 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,1,0,0,0,0|1,0,2]=4 1479 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,1,0,0,0,0|1,0,2]=4 1480 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,1,0,0,0,0|1,0,2]=4 1481 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,1,0,0,0,0|1,0,2]=4 1482 B10R0.4 CC(Br)CCOCCCCO 34a_100009893172_100011216708 [0,1,0,0,0,0|1,0,2]=4 1483 B10R0.4 CC(Br)COCCCCCO 34a_100012180447_100000746330 [0,1,0,0,0,0|1,0,2]=4 1484 B10R0.4 CC(Br)COCCOCCO 34a_100012180447_100000692535 [0,1,0,0,0,0|2,0,1]=4 1485 B10R0.4 CC(C)CCCCNCCF 34a_100000724931_100011216152 [0,1,0,0,0,0|2,0,1]=4 1486 B10R0.4 CC(C)CCCCNCCO 2230a_100016997473_100011216152 [0,1,0,0,0,0|1,0,1]=3 1487 B10R0.4 CC(C)CCCCNCCO 34a_100016990907_100011216152 [0,1,0,0,0,0|1,0,1]=3 1488 B10R0.4 CC(C)CCCCOCCBr 34a_100000211926_100011216152 [0,1,0,0,0,0|2,0,1]=4 1489 B10R0.4 CC(C)CCCCOCCF 34a_100011214890_100011217306 [0,1,0,0,0,0|2,0,1]=4 1490 B10R0.4 CC(C)CCCCOCCF 7a_100011214890_100011217306 [0,1,0,0,0,0|2,0,1]=4 1491 B10R0.4 CC(C)CCCCOCCN 34a_100000210304_100011216152 [0,1,0,0,0,0|2,0,1]=4 1492 B10R0.4 CC(C)CCCCOCCO 34a_100011214890_100000211926 [0,1,0,0,0,0|1,0,1]=3 1493 B10R0.4 CC(C)CCCCOCCO 7a_100011214890_100000211926 [0,1,0,0,0,0|1,0,1]=3 1494 B10R0.4 CC(C)CCCCSCCF 62a_100011216152_100011217306 [0,1,0,0,0,0|2,0,1]=4 1495 B10R0.4 CC(C)CCCCSCCF 62a_100011217306_100011216152 [0,1,0,0,0,0|2,0,1]=4 1496 B10R0.4 CC(C)CCCCSCCO 62a_100000211926_100011216152 [0,1,0,0,0,0|1,0,1]=3 1497 B10R0.4 CC(C)CCCCSCCO 62a_100011216152_100000211926 [0,1,0,0,0,0|1,0,1]=3 1498 B10R0.4 CC(C)CCCNCCCF 2230a_100015189416_100011214892 [0,1,0,0,0,0|2,0,1]=4 1499 B10R0.4 CC(C)CCCNCCCF 2230a_200000737386_100011934791 [0,1,0,0,0,0|2,0,1]=4 1500 B10R0.4 CC(C)CCCNCCCF 34a_100015189416_100011214892 [0,1,0,0,0,0|2,0,1]=4 1501 B10R0.4 CC(C)CCCNCCCF 34a_200000737386_100011934791 [0,1,0,0,0,0|2,0,1]=4 1502 B10R0.4 CC(C)CCCNCCCO 2230a_200000737386_100000230001 [0,1,0,0,0,0|1,0,1]=3 1503 B10R0.4 CC(C)CCCNCCCO 34a_200000737386_100000230001 [0,1,0,0,0,0|1,0,1]=3 1504 B10R0.4 CC(C)CCCOCCCBr 34a_100011217188_100011214892 [0,1,0,0,0,0|2,0,1]=4 1505 B10R0.4 CC(C)CCCOCCCCl 34a_100000230001_100011214892 [0,1,0,0,0,0|2,0,1]=4 1506 B10R0.4 CC(C)CCCOCCCF 34a_100000210774_100011934791 [0,1,0,0,0,0|2,0,1]=4 1507 B10R0.4 CC(C)CCCOCCCF 34a_100000759539_100011214892 [0,1,0,0,0,0|2,0,1]=4 1508 B10R0.4 CC(C)CCCOCCCF 7a_100000210774_100011934791 [0,1,0,0,0,0|2,0,1]=4 1509 B10R0.4 CC(C)CCCOCCCN 34a_100000182051_100011214892 [0,1,0,0,0,0|2,0,1]=4 1510 B10R0.4 CC(C)CCCOCCCO 34a_100000210774_100000230001 [0,1,0,0,0,0|1,0,1]=3 1511 B10R0.4 CC(C)CCCOCCCO 7a_100000210774_100011215043 [0,1,0,0,0,0|1,0,1]=3 1512 B10R0.4 CC(C)CCCSCCCF 62a_100011214892_100011934791 [0,1,0,0,0,0|2,0,1]=4 1513 B10R0.4 CC(C)CCCSCCCF 62a_100011934791_100011214892 [0,1,0,0,0,0|2,0,1]=4 1514 B10R0.4 CC(C)CCCSCCCO 62a_100011214892_100011215043 [0,1,0,0,0,0|1,0,1]=3 1515 B10R0.4 CC(C)CCCSCCCO 62a_100011215043_100011214892 [0,1,0,0,0,0|1,0,1]=3 1516 B10R0.4 CC(C)CCNCCCCO 2230a_100000750430_100000210312 [0,1,0,0,0,0|1,0,2]=4 1517 B10R0.4 CC(C)CCNCCCCO 269862a_100000750430_100000185833 [0,1,0,0,0,0|1,0,2]=4 1518 B10R0.4 CC(C)CCNCCCCO 34a_100000750430_100000210312 [0,1,0,0,0,0|1,0,2]=4 1519 B10R0.4 CC(C)CCOCCCCO 34a_100000210254_100011216708 [0,1,0,0,0,0|1,0,2]=4 1520 B10R0.4 CC(C)CCOCCCCO 7a_100000210254_100000210776 [0,1,0,0,0,0|1,0,2]=4 1521 B10R0.4 CC(C)CCSCCCCO 62a_100000210312_100000210776 [0,1,0,0,0,0|1,0,2]=4 1522 B10R0.4 CC(C)CCSCCCCO 62a_100000210776_100000210312 [0,1,0,0,0,0|1,0,2]=4 1523 B10R0.4 CC(C)CNCCCCCO 2230a_100000210953_100000746330 [0,1,0,0,0,0|1,0,2]=4 1524 B10R0.4 CC(C)CNCCCCCO 2230a_100000762737_100000210760 [0,1,0,0,0,0|1,0,2]=4 1525 B10R0.4 CC(C)CNCCCCCO 270004a_100000762737_100000210432 [0,1,0,0,0,0|1,0,2]=4 1526 B10R0.4 CC(C)CNCCCCCO 34a_100000210953_100000746330 [0,1,0,0,0,0|1,0,2]=4 1527 B10R0.4 CC(C)CNCCCCCO 34a_100000762737_100000210624 [0,1,0,0,0,0|1,0,2]=4 1528 B10R0.4 CC(C)CNCCOCCO 2230a_100000210953_100011215305 [0,1,0,0,0,0|2,0,1]=4 1529 B10R0.4 CC(C)CNCCOCCO 2230a_100000211614_100000210760 [0,1,0,0,0,0|2,0,1]=4 1530 B10R0.4 CC(C)CNCCOCCO 270004a_100000211614_100000210432 [0,1,0,0,0,0|2,0,1]=4 1531 B10R0.4 CC(C)CNCCOCCO 34a_100000210953_100000692535 [0,1,0,0,0,0|2,0,1]=4 1532 B10R0.4 CC(C)CNCCOCCO 34a_100000211614_100000210624 [0,1,0,0,0,0|2,0,1]=4 1533 B10R0.4 CC(C)CNCCOCCO 34a_100015185251_100000211926 [0,1,0,0,0,0|2,0,1]=4 1534 B10R0.4 CC(C)CNCCSCCO 2230a_100011219999_100000210760 [0,1,0,0,0,0|2,0,1]=4 1535 B10R0.4 CC(C)CNCCSCCO 270004a_100011219999_100000210432 [0,1,0,0,0,0|2,0,1]=4 1536 B10R0.4 CC(C)COCCCCCO 34a_100000210257_100000746330 [0,1,0,0,0,0|1,0,2]=4 1537 B10R0.4 CC(C)COCCOCCO 34a_100000210257_100000692535 [0,1,0,0,0,0|2,0,1]=4 1538 B10R0.4 CC(C)COCCOCCO 34a_100000703358_100000211926 [0,1,0,0,0,0|2,0,1]=4 1539 B10R0.4 CC(C)COCCOCCO 7a_100000703358_100000211926 [0,1,0,0,0,0|2,0,1]=4 1540 B10R0.4 CC(C)CSCCCCCO 62a_100000210624_100000746330 [0,1,0,0,0,0|1,0,2]=4 1541 B10R0.4 CC(C)CSCCCCCO 62a_100000746330_100000210760 [0,1,0,0,0,0|1,0,2]=4 1542 B10R0.4 CC(C)CSCCOCCO 34a_200000230437_100000211926 [0,1,0,0,0,0|2,0,1]=4 1543 B10R0.4 CC(C)CSCCOCCO 62a_100000210624_100011215305 [0,1,0,0,0,0|2,0,1]=4 1544 B10R0.4 CC(C)CSCCOCCO 62a_100011215305_100000210760 [0,1,0,0,0,0|2,0,1]=4 1545 B10R0.4 CC(C)CSCCOCCO 7a_200000230437_100000211926 [0,1,0,0,0,0|2,0,1]=4 1546 B10R0.4 CC(C)NCCCCCCO 2230a_100000686447_100000210206 [0,1,0,0,0,0|1,0,2]=4 1547 B10R0.4 CC(C)NCCCCCCO 2230a_100138425928_100000766143 [0,1,0,0,0,0|1,0,2]=4 1548 B10R0.4 CC(C)NCCCCCCO 34a_100000686447_100000210206 [0,1,0,0,0,0|1,0,2]=4 1549 B10R0.4 CC(C)NCCCCCCO 34a_100138425928_100000766143 [0,1,0,0,0,0|1,0,2]=4 1550 B10R0.4 CC(C)NCCCOCCO 34a_100000182298_100000211926 [0,1,0,0,0,0|2,0,1]=4 1551 B10R0.4 CC(C)NCCOCCCO 34a_100000224655_100000230001 [0,1,0,0,0,0|2,0,1]=4 1552 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [0,1,0,0,0,0|1,0,2]=4 1553 B10R0.4 CC(C)OCCCNCCO 2230a_100000737246_100000211926 [0,1,0,0,0,0|2,0,1]=4 1554 B10R0.4 CC(C)OCCCNCCO 34a_100000737246_100000211926 [0,1,0,0,0,0|2,0,1]=4 1555 B10R0.4 CC(C)OCCNCCCO 2230a_100000701111_100000230001 [0,1,0,0,0,0|2,0,1]=4 1556 B10R0.4 CC(C)OCCNCCCO 34a_100000701111_100000230001 [0,1,0,0,0,0|2,0,1]=4 1557 B10R0.4 CC(C)OCCOCCCO 34a_100000211219_100000230001 [0,1,0,0,0,0|2,0,1]=4 1558 B10R0.4 CC(C)OCCOCCCO 7a_100000211219_100011215043 [0,1,0,0,0,0|2,0,1]=4 1559 B10R0.4 CC(C)OCCSCCCO 62a_100000211751_100011215043 [0,1,0,0,0,0|2,0,1]=4 1560 B10R0.4 CC(C)OCCSCCCO 62a_100011215043_100000211751 [0,1,0,0,0,0|2,0,1]=4 1561 B10R0.4 CC(C)SCCCCCCO 62a_100000210206_100000766143 [0,1,0,0,0,0|1,0,2]=4 1562 B10R0.4 CC(C)SCCCCCCO 62a_100000766143_100000210206 [0,1,0,0,0,0|1,0,2]=4 1563 B10R0.4 CC(C)SCCNCCCO 2230a_100000731138_100000230001 [0,1,0,0,0,0|2,0,1]=4 1564 B10R0.4 CC(C)SCCNCCCO 34a_100000731138_100000230001 [0,1,0,0,0,0|2,0,1]=4 1565 B10R0.4 CC(C)SCCOCCCO 34a_200011212901_100000230001 [0,1,0,0,0,0|2,0,1]=4 1566 B10R0.4 CC(C)SCCOCCCO 7a_200011212901_100011215043 [0,1,0,0,0,0|2,0,1]=4 1567 B10R0.4 CC(C)SCCSCCCO 62a_100000730970_100011215043 [0,1,0,0,0,0|2,0,1]=4 1568 B10R0.4 CC(C)SCCSCCCO 62a_100011215043_100000730970 [0,1,0,0,0,0|2,0,1]=4 1569 B10R0.4 CC(F)COCCCCCO 34a_100015925927_100000746330 [0,1,0,0,0,0|1,0,2]=4 1570 B10R0.4 CC(F)COCCOCCO 34a_100015925927_100000692535 [0,1,0,0,0,0|2,0,1]=4 1571 B10R0.4 CC(O)CCCNCCCF 2230a_100015189416_200000718107 [0,1,0,0,0,0|2,0,1]=4 1572 B10R0.4 CC(O)CCCNCCCF 34a_100015189416_200000718107 [0,1,0,0,0,0|2,0,1]=4 1573 B10R0.4 CC(O)CCCOCCCBr 34a_100011217188_200000718107 [0,1,0,0,0,0|2,0,1]=4 1574 B10R0.4 CC(O)CCCOCCCCl 34a_100000230001_200000718107 [0,1,0,0,0,0|2,0,1]=4 1575 B10R0.4 CC(O)CCCOCCCF 34a_100000759539_200000718107 [0,1,0,0,0,0|2,0,1]=4 1576 B10R0.4 CC(O)CCCOCCCN 34a_100000182051_200000718107 [0,1,0,0,0,0|2,0,1]=4 1577 B10R0.4 CC(O)CCCSCCCF 62a_100011934791_200000718107 [0,1,0,0,0,0|2,0,1]=4 1578 B10R0.4 CC(O)CCCSCCCF 62a_200000718107_100011934791 [0,1,0,0,0,0|2,0,1]=4 1579 B10R0.4 CC(O)CCCSCCCO 62a_100011215043_200000718107 [0,1,0,0,0,0|1,0,1]=3 1580 B10R0.4 CC(O)CCCSCCCO 62a_200000718107_100011215043 [0,1,0,0,0,0|1,0,1]=3 1581 B10R0.4 CC(O)CCNCCCCF 2230a_200000755665_100000729493 [0,1,0,0,0,0|2,0,1]=4 1582 B10R0.4 CC(O)CCNCCCCO 2230a_100000750430_100012276601 [0,1,0,0,0,0|1,0,2]=4 1583 B10R0.4 CC(O)CCNCCCCO 2230a_200000755665_100000210776 [0,1,0,0,0,0|1,0,2]=4 1584 B10R0.4 CC(O)CCNCCCCO 34a_100000750430_100012276601 [0,1,0,0,0,0|1,0,2]=4 1585 B10R0.4 CC(O)CCOCCCCBr 34a_100011216708_100012276601 [0,1,0,0,0,0|2,0,1]=4 1586 B10R0.4 CC(O)CCOCCCCCl 34a_100000210776_100012276601 [0,1,0,0,0,0|2,0,1]=4 1587 B10R0.4 CC(O)CCOCCCCCl 7a_100000210776_100012276601 [0,1,0,0,0,0|2,0,1]=4 1588 B10R0.4 CC(O)CCOCCCCF 34a_100011995726_100012276601 [0,1,0,0,0,0|2,0,1]=4 1589 B10R0.4 CC(O)CCOCCCCF 7a_100011995726_100012276601 [0,1,0,0,0,0|2,0,1]=4 1590 B10R0.4 CC(O)CCOCCCCI 34a_200012148704_100012276601 [0,1,0,0,0,0|2,0,1]=4 1591 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [0,1,0,0,0,0|2,0,1]=4 1592 B10R0.4 CC(O)CCSCCCCF 62a_100000729493_100012276601 [0,1,0,0,0,0|2,0,1]=4 1593 B10R0.4 CC(O)CCSCCCCF 62a_100012276601_100000729493 [0,1,0,0,0,0|2,0,1]=4 1594 B10R0.4 CC(O)CCSCCCCO 62a_100000210776_100012276601 [0,1,0,0,0,0|1,0,2]=4 1595 B10R0.4 CC(O)CCSCCCCO 62a_100012276601_100000210776 [0,1,0,0,0,0|1,0,2]=4 1596 B10R0.4 CC(O)CNCCCCCF 2230a_100000210904_100000729378 [0,1,0,0,0,0|2,0,1]=4 1597 B10R0.4 CC(O)CNCCCCCF 34a_100000210904_100000729378 [0,1,0,0,0,0|2,0,1]=4 1598 B10R0.4 CC(O)CNCCCCCO 2230a_100000210904_100000746330 [0,1,0,0,0,0|1,0,2]=4 1599 B10R0.4 CC(O)CNCCCCCO 2230a_100000762737_100011218427 [0,1,0,0,0,0|1,0,2]=4 1600 B10R0.4 CC(O)CNCCCCCO 34a_100000210904_100000746330 [0,1,0,0,0,0|1,0,2]=4 1601 B10R0.4 CC(O)CNCCCCCO 34a_100000762737_100011218427 [0,1,0,0,0,0|1,0,2]=4 1602 B10R0.4 CC(O)CNCCOCCO 2230a_100000210904_100011215305 [0,1,0,0,0,0|2,0,1]=4 1603 B10R0.4 CC(O)CNCCOCCO 2230a_100000211614_100011218427 [0,1,0,0,0,0|2,0,1]=4 1604 B10R0.4 CC(O)CNCCOCCO 34a_100000210904_100000692535 [0,1,0,0,0,0|2,0,1]=4 1605 B10R0.4 CC(O)CNCCOCCO 34a_100000211614_100011218427 [0,1,0,0,0,0|2,0,1]=4 1606 B10R0.4 CC(O)CNCCSCCO 2230a_100011219999_100011218427 [0,1,0,0,0,0|2,0,1]=4 1607 B10R0.4 CC(O)COCCCCCBr 34a_100000746331_100011218427 [0,1,0,0,0,0|2,0,1]=4 1608 B10R0.4 CC(O)COCCCCCBr 7a_100000746331_100011218427 [0,1,0,0,0,0|2,0,1]=4 1609 B10R0.4 CC(O)COCCCCCCl 34a_100000746330_100011218427 [0,1,0,0,0,0|2,0,1]=4 1610 B10R0.4 CC(O)COCCCCCCl 7a_100000746330_100011218427 [0,1,0,0,0,0|2,0,1]=4 1611 B10R0.4 CC(O)COCCCCCI 34a_200012148887_100011218427 [0,1,0,0,0,0|2,0,1]=4 1612 B10R0.4 CC(O)COCCCCCI 7a_200012148887_100011218427 [0,1,0,0,0,0|2,0,1]=4 1613 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [0,1,0,0,0,0|2,0,1]=4 1614 B10R0.4 CC(O)CSCCCCCF 62a_100000729378_100011218427 [0,1,0,0,0,0|2,0,1]=4 1615 B10R0.4 CC(O)CSCCCCCF 62a_100011218427_100000729378 [0,1,0,0,0,0|2,0,1]=4 1616 B10R0.4 CC(O)CSCCCCCO 62a_100000746330_100011218427 [0,1,0,0,0,0|1,0,2]=4 1617 B10R0.4 CC(O)CSCCCCCO 62a_100011218427_100000746330 [0,1,0,0,0,0|1,0,2]=4 1618 B10R0.4 CC(O)CSCCOCCO 62a_100011215305_100011218427 [0,1,0,0,0,0|2,0,1]=4 1619 B10R0.4 CC(O)CSCCOCCO 62a_100011218427_100011215305 [0,1,0,0,0,0|2,0,1]=4 1620 B10R0.4 CCC/C=C/COCC(C)C 34a_100016278788_100000210624 [0,1,0,0,0,0|2,0,0]=3 1621 B10R0.4 CCC/C=C/COCC(C)C 7a_100016278788_100000210760 [0,1,0,0,0,0|2,0,0]=3 1622 B10R0.4 CCC/C=C/COCC(C)O 34a_100016278788_100011218427 [0,1,0,0,0,0|2,0,0]=3 1623 B10R0.4 CCC/C=C/COCC(C)O 7a_100016278788_100011218427 [0,1,0,0,0,0|2,0,0]=3 1624 B10R0.4 CCC/C=C/COCC(F)F 34a_100016278788_100011934356 [0,1,0,0,0,0|3,0,0]=4 1625 B10R0.4 CCC/C=C/COCC(F)F 7a_100016278788_100011934356 [0,1,0,0,0,0|3,0,0]=4 1626 B10R0.4 CCC/C=C/COC[C@@H](C)O 34a_100016278788_100009817552 [0,1,0,0,0,0|2,0,0]=3 1627 B10R0.4 CCC/C=C/COC[C@@H](C)O 7a_100016278788_100009817552 [0,1,0,0,0,0|2,0,0]=3 1628 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,1,0,0,0,0|0,0,2]=3 1629 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,1,0,0,0,0|0,0,2]=3 1630 B10R0.4 CCCCC=NNCC(C)O 4a_200000730056_100000210104 [0,1,0,0,0,0|2,0,1]=4 1631 B10R0.4 CCCCCC=NNC(C)C 4a_100000741168_100000737632 [0,1,0,0,0,0|3,0,0]=4 1632 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,1,0,0,0,0|1,0,2]=4 1633 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [0,1,0,0,0,0|2,0,1]=4 1634 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [0,1,0,0,0,0|2,0,1]=4 1635 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [0,1,0,0,0,0|2,0,1]=4 1636 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [0,1,0,0,0,0|2,0,1]=4 1637 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [0,1,0,0,0,0|1,0,1]=3 1638 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [0,1,0,0,0,0|1,0,1]=3 1639 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [0,1,0,0,0,0|1,0,1]=3 1640 B10R0.4 CCCCCCNCC(F)F 2230a_100000210581_100011934356 [0,1,0,0,0,0|2,0,1]=4 1641 B10R0.4 CCCCCCNCC(F)F 34a_100000765723_100000210314 [0,1,0,0,0,0|2,0,1]=4 1642 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [0,1,0,0,0,0|1,0,1]=3 1643 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [0,1,0,0,0,0|2,0,1]=4 1644 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [0,1,0,0,0,0|2,0,1]=4 1645 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [0,1,0,0,0,0|2,0,1]=4 1646 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [0,1,0,0,0,0|2,0,1]=4 1647 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [0,1,0,0,0,0|2,0,1]=4 1648 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [0,1,0,0,0,0|1,0,1]=3 1649 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [0,1,0,0,0,0|1,0,1]=3 1650 B10R0.4 CCCCCCOCC(F)F 34a_100000210259_100011934356 [0,1,0,0,0,0|2,0,1]=4 1651 B10R0.4 CCCCCCOCC(F)F 34a_100000743014_100000210314 [0,1,0,0,0,0|2,0,1]=4 1652 B10R0.4 CCCCCCOCC(F)F 7a_100000210259_100011934356 [0,1,0,0,0,0|2,0,1]=4 1653 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [0,1,0,0,0,0|2,0,1]=4 1654 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [0,1,0,0,0,0|2,0,1]=4 1655 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [0,1,0,0,0,0|1,0,1]=3 1656 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [0,1,0,0,0,0|1,0,1]=3 1657 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [0,1,0,0,0,0|2,0,1]=4 1658 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [0,1,0,0,0,0|2,0,1]=4 1659 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [0,1,0,0,0,0|1,0,1]=3 1660 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [0,1,0,0,0,0|1,0,1]=3 1661 B10R0.4 CCCCCCSCC(F)F 62a_100000210314_100011934356 [0,1,0,0,0,0|2,0,1]=4 1662 B10R0.4 CCCCCCSCC(F)F 62a_100011934356_100000210757 [0,1,0,0,0,0|2,0,1]=4 1663 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [0,1,0,0,0,0|1,0,1]=3 1664 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [0,1,0,0,0,0|1,0,1]=3 1665 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [0,1,0,0,0,0|2,0,1]=4 1666 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [0,1,0,0,0,0|2,0,1]=4 1667 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [0,1,0,0,0,0|1,0,1]=3 1668 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [0,1,0,0,0,0|1,0,1]=3 1669 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,1,0,0,0,0|2,0,1]=4 1670 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [0,1,0,0,0,0|2,0,1]=4 1671 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [0,1,0,0,0,0|2,0,1]=4 1672 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [0,1,0,0,0,0|2,0,1]=4 1673 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [0,1,0,0,0,0|2,0,1]=4 1674 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [0,1,0,0,0,0|2,0,1]=4 1675 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [0,1,0,0,0,0|1,0,1]=3 1676 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [0,1,0,0,0,0|1,0,1]=3 1677 B10R0.4 CCCCCOCCC(F)F 34a_100103093639_100000718602 [0,1,0,0,0,0|2,0,1]=4 1678 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [0,1,0,0,0,0|2,0,1]=4 1679 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [0,1,0,0,0,0|2,0,1]=4 1680 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [0,1,0,0,0,0|2,0,1]=4 1681 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [0,1,0,0,0,0|1,0,1]=3 1682 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [0,1,0,0,0,0|1,0,1]=3 1683 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [0,1,0,0,0,0|2,0,1]=4 1684 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [0,1,0,0,0,0|2,0,1]=4 1685 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [0,1,0,0,0,0|2,0,1]=4 1686 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [0,1,0,0,0,0|2,0,1]=4 1687 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [0,1,0,0,0,0|1,0,2]=4 1688 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [0,1,0,0,0,0|1,0,2]=4 1689 B10R0.4 CCCCNN=CCC(C)C 4a_100025702795_100000185833 [0,1,0,0,0,0|3,0,0]=4 1690 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [0,1,0,0,0,0|2,0,1]=4 1691 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [0,1,0,0,0,0|2,0,1]=4 1692 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [0,1,0,0,0,0|2,0,1]=4 1693 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [0,1,0,0,0,0|2,0,1]=4 1694 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [0,1,0,0,0,0|1,0,2]=4 1695 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [0,1,0,0,0,0|1,0,2]=4 1696 B10R0.4 CCCCOCNCC(C)O 2230a_100000210904_100011995733 [0,1,0,0,0,0|2,0,1]=4 1697 B10R0.4 CCCCOCNCC(C)O 34a_100000210904_100011995733 [0,1,0,0,0,0|2,0,1]=4 1698 B10R0.4 CCCCOCSCC(C)O 62a_100011218427_100011995733 [0,1,0,0,0,0|2,0,1]=4 1699 B10R0.4 CCCCOCSCC(C)O 62a_100011995733_100011218427 [0,1,0,0,0,0|2,0,1]=4 1700 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100009817552_100011995733 [0,1,0,0,0,0|2,0,1]=4 1701 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100011995733_100009817552 [0,1,0,0,0,0|2,0,1]=4 1702 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [0,1,0,0,0,0|2,0,1]=4 1703 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [0,1,0,0,0,0|2,0,1]=4 1704 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [0,1,0,0,0,0|1,0,2]=4 1705 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [0,1,0,0,0,0|1,0,2]=4 1706 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [0,1,0,0,0,0|2,0,1]=4 1707 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [0,1,0,0,0,0|2,0,1]=4 1708 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [0,1,0,0,0,0|2,0,1]=4 1709 B10R0.4 CCCOCCNCC(C)O 2230a_100000210904_100011215938 [0,1,0,0,0,0|2,0,1]=4 1710 B10R0.4 CCCOCCNCC(C)O 2230a_100161115042_100011218427 [0,1,0,0,0,0|2,0,1]=4 1711 B10R0.4 CCCOCCNCC(C)O 34a_100000210904_100011215938 [0,1,0,0,0,0|2,0,1]=4 1712 B10R0.4 CCCOCCNCC(C)O 34a_100161115042_100011218427 [0,1,0,0,0,0|2,0,1]=4 1713 B10R0.4 CCCOCCNC[C@@H](C)O 2230a_100161115042_100009817552 [0,1,0,0,0,0|2,0,1]=4 1714 B10R0.4 CCCOCCNC[C@@H](C)O 34a_100161115042_100009817552 [0,1,0,0,0,0|2,0,1]=4 1715 B10R0.4 CCCOCCOCC(C)O 34a_100000752267_100011218427 [0,1,0,0,0,0|2,0,1]=4 1716 B10R0.4 CCCOCCOCC(C)O 7a_100000752267_100011218427 [0,1,0,0,0,0|2,0,1]=4 1717 B10R0.4 CCCOCCOC[C@@H](C)O 34a_100000752267_100009817552 [0,1,0,0,0,0|2,0,1]=4 1718 B10R0.4 CCCOCCOC[C@@H](C)O 7a_100000752267_100009817552 [0,1,0,0,0,0|2,0,1]=4 1719 B10R0.4 CCCOCCSCC(C)O 62a_100011215938_100011218427 [0,1,0,0,0,0|2,0,1]=4 1720 B10R0.4 CCCOCCSCC(C)O 62a_100011218427_100011215938 [0,1,0,0,0,0|2,0,1]=4 1721 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100009817552_100011215938 [0,1,0,0,0,0|2,0,1]=4 1722 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100011215938_100009817552 [0,1,0,0,0,0|2,0,1]=4 1723 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [0,1,0,0,0,0|2,0,1]=4 1724 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [0,1,0,0,0,0|2,0,1]=4 1725 B10R0.4 CCCSCCNCC(C)O 2230a_100020603323_100011218427 [0,1,0,0,0,0|2,0,1]=4 1726 B10R0.4 CCCSCCNC[C@@H](C)O 2230a_100020603323_100009817552 [0,1,0,0,0,0|2,0,1]=4 1727 B10R0.4 CCCSCCOCC(C)O 34a_200000230433_100011218427 [0,1,0,0,0,0|2,0,1]=4 1728 B10R0.4 CCCSCCOCC(C)O 7a_200000230433_100011218427 [0,1,0,0,0,0|2,0,1]=4 1729 B10R0.4 CCCSCCOC[C@@H](C)O 34a_200000230433_100009817552 [0,1,0,0,0,0|2,0,1]=4 1730 B10R0.4 CCCSCCOC[C@@H](C)O 7a_200000230433_100009817552 [0,1,0,0,0,0|2,0,1]=4 1731 B10R0.4 CCOCCCNCC(C)O 2230a_100000210904_100012232248 [0,1,0,0,0,0|2,0,1]=4 1732 B10R0.4 CCOCCCNCC(C)O 2230a_100000210961_100011218427 [0,1,0,0,0,0|2,0,1]=4 1733 B10R0.4 CCOCCCNCC(C)O 34a_100000210904_100012232248 [0,1,0,0,0,0|2,0,1]=4 1734 B10R0.4 CCOCCCNCC(C)O 34a_100000210961_100011218427 [0,1,0,0,0,0|2,0,1]=4 1735 B10R0.4 CCOCCCNC[C@@H](C)O 2230a_100000210961_100009817552 [0,1,0,0,0,0|2,0,1]=4 1736 B10R0.4 CCOCCCNC[C@@H](C)O 34a_100000210961_100009817552 [0,1,0,0,0,0|2,0,1]=4 1737 B10R0.4 CCOCCCOCC(C)O 34a_100000757476_100011218427 [0,1,0,0,0,0|2,0,1]=4 1738 B10R0.4 CCOCCCOCC(C)O 7a_100000757476_100011218427 [0,1,0,0,0,0|2,0,1]=4 1739 B10R0.4 CCOCCCOC[C@@H](C)O 34a_100000757476_100009817552 [0,1,0,0,0,0|2,0,1]=4 1740 B10R0.4 CCOCCCOC[C@@H](C)O 7a_100000757476_100009817552 [0,1,0,0,0,0|2,0,1]=4 1741 B10R0.4 CCOCCCSCC(C)O 62a_100011218427_100012232248 [0,1,0,0,0,0|2,0,1]=4 1742 B10R0.4 CCOCCCSCC(C)O 62a_100012232248_100011218427 [0,1,0,0,0,0|2,0,1]=4 1743 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100009817552_100012232248 [0,1,0,0,0,0|2,0,1]=4 1744 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100012232248_100009817552 [0,1,0,0,0,0|2,0,1]=4 1745 B10R0.4 CCOCCNCCC(C)O 2230a_102516460346_100012276601 [0,1,0,0,0,0|2,0,1]=4 1746 B10R0.4 CCOCCNCCC(C)O 2230a_200000755665_100011215890 [0,1,0,0,0,0|2,0,1]=4 1747 B10R0.4 CCOCCNCCC(C)O 34a_102516460346_100012276601 [0,1,0,0,0,0|2,0,1]=4 1748 B10R0.4 CCOCCOCCC(C)O 34a_100000210136_100012276601 [0,1,0,0,0,0|2,0,1]=4 1749 B10R0.4 CCOCCOCCC(C)O 7a_100000210136_100012276601 [0,1,0,0,0,0|2,0,1]=4 1750 B10R0.4 CCOCCSCCC(C)O 62a_100000210147_100012276601 [0,1,0,0,0,0|2,0,1]=4 1751 B10R0.4 CCOCCSCCC(C)O 62a_100012276601_100011215890 [0,1,0,0,0,0|2,0,1]=4 1752 B10R0.4 CCSCCCOCC(C)O 34a_100011216438_100011218427 [0,1,0,0,0,0|2,0,1]=4 1753 B10R0.4 CCSCCCOCC(C)O 7a_100011216438_100011218427 [0,1,0,0,0,0|2,0,1]=4 1754 B10R0.4 CCSCCCOC[C@@H](C)O 34a_100011216438_100009817552 [0,1,0,0,0,0|2,0,1]=4 1755 B10R0.4 CCSCCCOC[C@@H](C)O 7a_100011216438_100009817552 [0,1,0,0,0,0|2,0,1]=4 1756 B10R0.4 CCSCCNCCC(C)O 2230a_100000106463_100012276601 [0,1,0,0,0,0|2,0,1]=4 1757 B10R0.4 CCSCCNCCC(C)O 2230a_200000755665_100000757381 [0,1,0,0,0,0|2,0,1]=4 1758 B10R0.4 CCSCCOCCC(C)O 34a_100000212035_100012276601 [0,1,0,0,0,0|2,0,1]=4 1759 B10R0.4 CCSCCOCCC(C)O 7a_100000212035_100012276601 [0,1,0,0,0,0|2,0,1]=4 1760 B10R0.4 CCSCCSCCC(C)O 62a_100000757381_100012276601 [0,1,0,0,0,0|2,0,1]=4 1761 B10R0.4 CCSCCSCCC(C)O 62a_100012276601_100000757381 [0,1,0,0,0,0|2,0,1]=4 1762 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [0,1,0,0,0,0|1,0,2]=4 1763 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [0,1,0,0,0,0|1,0,2]=4 1764 B10R0.4 CN(C)CCCCSCCO 62a_100000211926_100000690147 [0,1,0,0,0,0|2,0,1]=4 1765 B10R0.4 CN(C)CCCSCCCO 62a_100011215043_100000757444 [0,1,0,0,0,0|2,0,1]=4 1766 B10R0.4 CNCCCOCCC(C)O 34a_100000213112_100012276601 [0,1,0,0,0,0|2,0,1]=4 1767 B10R0.4 COCCCCNCC(C)O 2230a_100000210904_100000730899 [0,1,0,0,0,0|2,0,1]=4 1768 B10R0.4 COCCCCNCC(C)O 34a_100000210904_100000755781 [0,1,0,0,0,0|2,0,1]=4 1769 B10R0.4 COCCCCOCC(C)O 34a_100000740925_100011218427 [0,1,0,0,0,0|2,0,1]=4 1770 B10R0.4 COCCCCOC[C@@H](C)O 34a_100000740925_100009817552 [0,1,0,0,0,0|2,0,1]=4 1771 B10R0.4 COCCCCSCC(C)O 62a_100000730899_100011218427 [0,1,0,0,0,0|2,0,1]=4 1772 B10R0.4 COCCCCSCC(C)O 62a_100011218427_100000730899 [0,1,0,0,0,0|2,0,1]=4 1773 B10R0.4 COCCCCSC[C@@H](C)O 62a_100000730899_100009817552 [0,1,0,0,0,0|2,0,1]=4 1774 B10R0.4 COCCCCSC[C@@H](C)O 62a_100009817552_100000730899 [0,1,0,0,0,0|2,0,1]=4 1775 B10R0.4 COCCCNCCC(C)O 2230a_200000755665_100000740836 [0,1,0,0,0,0|2,0,1]=4 1776 B10R0.4 COCCCNCCC(C)O 34a_100150723488_100012276601 [0,1,0,0,0,0|2,0,1]=4 1777 B10R0.4 COCCCOCCC(C)O 34a_100000740835_100012276601 [0,1,0,0,0,0|2,0,1]=4 1778 B10R0.4 COCCCSCCC(C)O 62a_100000709357_100012276601 [0,1,0,0,0,0|2,0,1]=4 1779 B10R0.4 COCCCSCCC(C)O 62a_100012276601_100000709357 [0,1,0,0,0,0|2,0,1]=4 1780 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [0,1,0,0,0,0|2,0,1]=4 1781 B10R0.4 CSCCCCOCC(C)O 34a_100011217163_100011218427 [0,1,0,0,0,0|2,0,1]=4 1782 B10R0.4 CSCCCCOCC(C)O 7a_100011217163_100011218427 [0,1,0,0,0,0|2,0,1]=4 1783 B10R0.4 CSCCCCOC[C@@H](C)O 34a_100011217163_100009817552 [0,1,0,0,0,0|2,0,1]=4 1784 B10R0.4 CSCCCCOC[C@@H](C)O 7a_100011217163_100009817552 [0,1,0,0,0,0|2,0,1]=4 1785 B10R0.4 CSCCCNCCC(C)O 2230a_100000749238_100012276601 [0,1,0,0,0,0|2,0,1]=4 1786 B10R0.4 CSCCCOCCC(C)O 34a_100000690336_100012276601 [0,1,0,0,0,0|2,0,1]=4 1787 B10R0.4 CSCCCOCCC(C)O 7a_100000690336_100012276601 [0,1,0,0,0,0|2,0,1]=4 1788 B10R0.4 C[C@@H](Cl)COCCCCCO 34a_100016084084_100000746330 [0,1,0,0,0,0|1,0,2]=4 1789 B10R0.4 C[C@@H](Cl)COCCOCCO 34a_100016084084_100000692535 [0,1,0,0,0,0|2,0,1]=4 1790 B10R0.4 C[C@@H](N)CCOCCCCO 34a_100000706166_100011216708 [0,1,0,0,0,0|1,0,2]=4 1791 B10R0.4 C[C@@H](N)COCCCCCO 34a_100000737577_100000746330 [0,1,0,0,0,0|1,0,2]=4 1792 B10R0.4 C[C@@H](N)COCCOCCO 34a_100000737577_100000692535 [0,1,0,0,0,0|2,0,1]=4 1793 B10R0.4 C[C@@H](O)CNCCCCCO 2230a_100000762737_100009817552 [0,1,0,0,0,0|1,0,2]=4 1794 B10R0.4 C[C@@H](O)CNCCCCCO 34a_100000762737_100009817552 [0,1,0,0,0,0|1,0,2]=4 1795 B10R0.4 C[C@@H](O)CNCCOCCO 2230a_100000211614_100009817552 [0,1,0,0,0,0|2,0,1]=4 1796 B10R0.4 C[C@@H](O)CNCCOCCO 34a_100000211614_100009817552 [0,1,0,0,0,0|2,0,1]=4 1797 B10R0.4 C[C@@H](O)CNCCSCCO 2230a_100011219999_100009817552 [0,1,0,0,0,0|2,0,1]=4 1798 B10R0.4 C[C@@H](O)COCCCCCBr 34a_100000746331_100009817552 [0,1,0,0,0,0|2,0,1]=4 1799 B10R0.4 C[C@@H](O)COCCCCCBr 7a_100000746331_100009817552 [0,1,0,0,0,0|2,0,1]=4 1800 B10R0.4 C[C@@H](O)COCCCCCCl 34a_100000746330_100009817552 [0,1,0,0,0,0|2,0,1]=4 1801 B10R0.4 C[C@@H](O)COCCCCCCl 7a_100000746330_100009817552 [0,1,0,0,0,0|2,0,1]=4 1802 B10R0.4 C[C@@H](O)COCCCCCI 34a_200012148887_100009817552 [0,1,0,0,0,0|2,0,1]=4 1803 B10R0.4 C[C@@H](O)COCCCCCI 7a_200012148887_100009817552 [0,1,0,0,0,0|2,0,1]=4 1804 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [0,1,0,0,0,0|2,0,1]=4 1805 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100000729378_100009817552 [0,1,0,0,0,0|2,0,1]=4 1806 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100009817552_100000729378 [0,1,0,0,0,0|2,0,1]=4 1807 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100000746330_100009817552 [0,1,0,0,0,0|1,0,2]=4 1808 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100009817552_100000746330 [0,1,0,0,0,0|1,0,2]=4 1809 B10R0.4 C[C@@H](O)CSCCOCCO 62a_100009817552_100011215305 [0,1,0,0,0,0|2,0,1]=4 1810 B10R0.4 C[C@@H](O)CSCCOCCO 62a_100011215305_100009817552 [0,1,0,0,0,0|2,0,1]=4 1811 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,1,0,0,0,0|0,0,3]=4 1812 B10R0.71 C#CCCC=NNCCCC 4a_100025702795_100011713443 [0,1,0,0,0,0|3,0,0]=4 1813 B10R0.71 C#CCCCCCNCCO 2230a_100016997473_100012094781 [0,1,0,0,0,0|1,0,2]=4 1814 B10R0.71 C#CCCCCCNCCO 34a_100016990907_100012094781 [0,1,0,0,0,0|1,0,2]=4 1815 B10R0.71 C#CCCCCCOCCO 34a_100000766912_100000211926 [0,1,0,0,0,0|1,0,2]=4 1816 B10R0.71 C#CCCCCCOCCO 7a_100000766912_100000211926 [0,1,0,0,0,0|1,0,2]=4 1817 B10R0.71 C#CCCCCCSCCO 62a_100000211926_100012094781 [0,1,0,0,0,0|1,0,2]=4 1818 B10R0.71 C#CCCCCCSCCO 62a_100012094781_100000211926 [0,1,0,0,0,0|1,0,2]=4 1819 B10R0.71 C#CCCCCNCCCO 2230a_100000706060_100000230001 [0,1,0,0,0,0|1,0,2]=4 1820 B10R0.71 C#CCCCCNCCCO 34a_100000706060_100000230001 [0,1,0,0,0,0|1,0,2]=4 1821 B10R0.71 C#CCCCCOCCCO 34a_100000766709_100000230001 [0,1,0,0,0,0|1,0,2]=4 1822 B10R0.71 C#CCCCCOCCCO 7a_100000766709_100011215043 [0,1,0,0,0,0|1,0,2]=4 1823 B10R0.71 C#CCCCCSCCCO 62a_100010269958_100011215043 [0,1,0,0,0,0|1,0,2]=4 1824 B10R0.71 C#CCCCCSCCCO 62a_100011215043_100010269958 [0,1,0,0,0,0|1,0,2]=4 1825 B10R0.71 C#CCCCNCCCCC 2230a_100000209983_100000731252 [0,1,0,0,0,0|2,0,1]=4 1826 B10R0.71 C#CCCCNCCCCC 34a_100000718082_100000718602 [0,1,0,0,0,0|2,0,1]=4 1827 B10R0.71 C#CCCCOCCCCC 34a_100000210253_100000695029 [0,1,0,0,0,0|2,0,1]=4 1828 B10R0.71 C#CCCCOCCCCC 34a_100000215630_100000718602 [0,1,0,0,0,0|2,0,1]=4 1829 B10R0.71 C#CCCCOCCCCC 7a_100000210253_100011215417 [0,1,0,0,0,0|2,0,1]=4 1830 B10R0.71 C#CCCCOCCCCC 7a_100000215630_100000210326 [0,1,0,0,0,0|2,0,1]=4 1831 B10R0.71 C#CCCCSCCCCC 62a_100000210326_100011215417 [0,1,0,0,0,0|2,0,1]=4 1832 B10R0.71 C#CCCCSCCCCC 62a_100011215417_100000210326 [0,1,0,0,0,0|2,0,1]=4 1833 B10R0.71 C#CCCNCCCCCC 2230a_100000210581_100000688953 [0,1,0,0,0,0|2,0,1]=4 1834 B10R0.71 C#CCCNCCCCCC 34a_100000755551_100000210314 [0,1,0,0,0,0|2,0,1]=4 1835 B10R0.71 C#CCCOC/C=C/CCC 34a_100016278788_100000688953 [0,1,0,0,0,0|1,0,2]=4 1836 B10R0.71 C#CCCOC/C=C/CCC 7a_100016278788_100000688953 [0,1,0,0,0,0|1,0,2]=4 1837 B10R0.71 C#CCCOCCCCCC 34a_100000210259_100000688953 [0,1,0,0,0,0|2,0,1]=4 1838 B10R0.71 C#CCCOCCCCCC 34a_100011215631_100000210314 [0,1,0,0,0,0|2,0,1]=4 1839 B10R0.71 C#CCCOCCCCCC 7a_100000210259_100000688953 [0,1,0,0,0,0|2,0,1]=4 1840 B10R0.71 C#CCCSCCCCCC 62a_100000210314_100000688953 [0,1,0,0,0,0|2,0,1]=4 1841 B10R0.71 C#CCCSCCCCCC 62a_100000688953_100000210757 [0,1,0,0,0,0|2,0,1]=4 1842 B10R0.71 C/C=C/C=C/COCCCC 34a_100016283227_100000210210 [0,1,0,0,0,0|1,0,2]=4 1843 B10R0.71 C/C=C/COC/C=C/CCC 34a_100016278788_100102629194 [0,1,0,0,0,0|1,0,2]=4 1844 B10R0.71 C/C=C/COC/C=C/CCC 7a_100016278788_100102629194 [0,1,0,0,0,0|1,0,2]=4 1845 B10R0.71 C=CCCC/C=C/COCC 34a_200016268473_100000210202 [0,1,0,0,0,0|1,0,2]=4 1846 B10R0.71 C=CCCC/C=C/COCC 7a_200016268473_100000210202 [0,1,0,0,0,0|1,0,2]=4 1847 B10R0.71 C=CCCC/C=C/COCF 34a_200016268473_100015361967 [0,1,0,0,0,0|1,0,2]=4 1848 B10R0.71 C=CCCC/C=C/COCF 7a_200016268473_100015361967 [0,1,0,0,0,0|1,0,2]=4 1849 B10R0.71 C=CCCC=NNCCCC 4a_100025702795_100011216789 [0,1,0,0,0,0|3,0,0]=4 1850 B10R0.71 C=CCCCCCNCCO 2230a_100016997473_100000700193 [0,1,0,0,0,0|1,0,2]=4 1851 B10R0.71 C=CCCCCCNCCO 34a_100016990907_100000700193 [0,1,0,0,0,0|1,0,2]=4 1852 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [0,1,0,0,0,0|1,0,2]=4 1853 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [0,1,0,0,0,0|1,0,2]=4 1854 B10R0.71 C=CCCCCCSCCO 62a_100000211926_100000700193 [0,1,0,0,0,0|1,0,2]=4 1855 B10R0.71 C=CCCCCCSCCO 62a_100000700193_100000211926 [0,1,0,0,0,0|1,0,2]=4 1856 B10R0.71 C=CCCCCNCCCO 2230a_100000703577_100000230001 [0,1,0,0,0,0|1,0,2]=4 1857 B10R0.71 C=CCCCCNCCCO 34a_100000703577_100000230001 [0,1,0,0,0,0|1,0,2]=4 1858 B10R0.71 C=CCCCCOCCCO 34a_100000766645_100000230001 [0,1,0,0,0,0|1,0,2]=4 1859 B10R0.71 C=CCCCCOCCCO 7a_100000766645_100011215043 [0,1,0,0,0,0|1,0,2]=4 1860 B10R0.71 C=CCCCCSCCCO 62a_100011215043_100011215482 [0,1,0,0,0,0|1,0,2]=4 1861 B10R0.71 C=CCCCCSCCCO 62a_100011215482_100011215043 [0,1,0,0,0,0|1,0,2]=4 1862 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [0,1,0,0,0,0|2,0,1]=4 1863 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [0,1,0,0,0,0|2,0,1]=4 1864 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [0,1,0,0,0,0|2,0,1]=4 1865 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [0,1,0,0,0,0|2,0,1]=4 1866 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [0,1,0,0,0,0|2,0,1]=4 1867 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [0,1,0,0,0,0|2,0,1]=4 1868 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [0,1,0,0,0,0|2,0,1]=4 1869 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [0,1,0,0,0,0|2,0,1]=4 1870 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [0,1,0,0,0,0|2,0,1]=4 1871 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [0,1,0,0,0,0|2,0,1]=4 1872 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [0,1,0,0,0,0|2,0,1]=4 1873 B10R0.71 C=CCCOC/C=C/CCC 34a_100016278788_100000754431 [0,1,0,0,0,0|1,0,2]=4 1874 B10R0.71 C=CCCOC/C=C/CCC 7a_100016278788_100000754431 [0,1,0,0,0,0|1,0,2]=4 1875 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [0,1,0,0,0,0|2,0,1]=4 1876 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [0,1,0,0,0,0|2,0,1]=4 1877 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [0,1,0,0,0,0|2,0,1]=4 1878 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [0,1,0,0,0,0|2,0,1]=4 1879 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [0,1,0,0,0,0|2,0,1]=4 1880 B10R0.71 CC#CCOC/C=C/CCC 34a_100016278788_100000748600 [0,1,0,0,0,0|1,0,2]=4 1881 B10R0.71 CC#CCOC/C=C/CCC 7a_100016278788_100000748600 [0,1,0,0,0,0|1,0,2]=4 1882 B10R0.71 CC/C=C/C/C=C/CCOC 34a_200016273837_200000210301 [0,1,0,0,0,0|0,0,2]=3 1883 B10R0.71 CC/C=C/C/C=C/CCOC 7a_200016273837_200000210301 [0,1,0,0,0,0|0,0,2]=3 1884 B10R0.71 CC/C=C/C/C=C/CCO[13CH3] 34a_200016273837_200025704644 [0,1,0,0,0,0|0,0,2]=3 1885 B10R0.71 CC/C=C/C/C=C/CCO[13CH3] 7a_200016273837_200025704644 [0,1,0,0,0,0|0,0,2]=3 1886 B10R0.71 CC/C=C/CC/C=C/COC 34a_100016264143_200000210301 [0,1,0,0,0,0|2,0,1]=4 1887 B10R0.71 CC/C=C/CC/C=C/COC 7a_100016264143_200000210301 [0,1,0,0,0,0|2,0,1]=4 1888 B10R0.71 CC/C=C/CC/C=C/CO[13CH3] 34a_100016264143_200025704644 [0,1,0,0,0,0|2,0,1]=4 1889 B10R0.71 CC/C=C/CC/C=C/CO[13CH3] 7a_100016264143_200025704644 [0,1,0,0,0,0|2,0,1]=4 1890 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [0,1,0,0,0,0|1,0,2]=4 1891 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [0,1,0,0,0,0|1,0,2]=4 1892 B10R0.71 CC/C=C/CCCOCCO 34a_100016287902_100000211926 [0,1,0,0,0,0|1,0,2]=4 1893 B10R0.71 CC/C=C/CCCOCCO 7a_100016287902_100000211926 [0,1,0,0,0,0|1,0,2]=4 1894 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [0,1,0,0,0,0|1,0,2]=4 1895 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [0,1,0,0,0,0|1,0,2]=4 1896 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [0,1,0,0,0,0|1,0,2]=4 1897 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [0,1,0,0,0,0|1,0,2]=4 1898 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [0,1,0,0,0,0|1,0,2]=4 1899 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [0,1,0,0,0,0|1,0,2]=4 1900 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [0,1,0,0,0,0|1,0,2]=4 1901 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [0,1,0,0,0,0|1,0,2]=4 1902 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [0,1,0,0,0,0|1,0,2]=4 1903 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [0,1,0,0,0,0|1,0,2]=4 1904 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [0,1,0,0,0,0|1,0,2]=4 1905 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [0,1,0,0,0,0|1,0,2]=4 1906 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [0,1,0,0,0,0|1,0,2]=4 1907 B10R0.71 CC/C=C\CCOCCCO 34a_100016288707_100000230001 [0,1,0,0,0,0|1,0,2]=4 1908 B10R0.71 CC/C=C\CCOCCCO 7a_100016288707_100011215043 [0,1,0,0,0,0|1,0,2]=4 1909 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [0,1,0,0,0,0|1,0,2]=4 1910 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [0,1,0,0,0,0|1,0,2]=4 1911 B10R0.71 CC/C=C\CCSCCCO 62a_100011215043_100015370543 [0,1,0,0,0,0|1,0,2]=4 1912 B10R0.71 CC/C=C\CCSCCCO 62a_100015370543_100011215043 [0,1,0,0,0,0|1,0,2]=4 1913 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [0,1,0,0,0,0|1,0,2]=4 1914 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [0,1,0,0,0,0|1,0,2]=4 1915 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [0,1,0,0,0,0|1,0,2]=4 1916 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [0,1,0,0,0,0|1,0,2]=4 1917 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [0,1,0,0,0,0|1,0,2]=4 1918 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [0,1,0,0,0,0|1,0,2]=4 1919 B10R0.71 CC=CCCCOCCCO 34a_100020645299_100000230001 [0,1,0,0,0,0|1,0,2]=4 1920 B10R0.71 CC=CCOC/C=C/CCC 34a_100016278788_100000070051 [0,1,0,0,0,0|1,0,2]=4 1921 B10R0.71 CC=CCOC/C=C/CCC 7a_100016278788_100000070051 [0,1,0,0,0,0|1,0,2]=4 1922 B10R0.71 CCC#CCCOCCCO 34a_100000036655_100000230001 [0,1,0,0,0,0|1,0,2]=4 1923 B10R0.71 CCC#CCCOCCCO 7a_100000036655_100011215043 [0,1,0,0,0,0|1,0,2]=4 1924 B10R0.71 CCC/C=C/C=C/COCC 34a_100016294078_100000210202 [0,1,0,0,0,0|1,0,2]=4 1925 B10R0.71 CCC/C=C/C=C/COCF 34a_100016294078_100015361967 [0,1,0,0,0,0|1,0,2]=4 1926 B10R0.71 CCC/C=C/COCCC#N 7a_100016278788_100000184422 [0,1,0,0,0,0|2,0,1]=4 1927 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [0,1,0,0,0,0|1,0,0]=2 1928 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [0,1,0,0,0,0|1,0,0]=2 1929 B10R0.71 CCC/C=C/COCCCF 34a_100016278788_100011934791 [0,1,0,0,0,0|2,0,0]=3 1930 B10R0.71 CCC/C=C/COCCCF 7a_100016278788_100011934791 [0,1,0,0,0,0|2,0,0]=3 1931 B10R0.71 CCC/C=C/COCCCO 34a_100016278788_100000230001 [0,1,0,0,0,0|2,0,0]=3 1932 B10R0.71 CCC/C=C/COCCCO 7a_100016278788_100011215043 [0,1,0,0,0,0|2,0,0]=3 1933 B10R0.71 CCC/C=C/COCCOC 34a_100016278788_100011201679 [0,1,0,0,0,0|2,0,0]=3 1934 B10R0.71 CCC/C=C/COCCOC 7a_100016278788_100000233755 [0,1,0,0,0,0|2,0,0]=3 1935 B10R0.71 CCC/C=C/COCCSC 34a_100016278788_100000212216 [0,1,0,0,0,0|2,0,0]=3 1936 B10R0.71 CCC/C=C/COCCSC 7a_100016278788_100000212216 [0,1,0,0,0,0|2,0,0]=3 1937 B10R0.71 CCC=CC=NNCCCC 4a_100025702795_100011216943 [0,1,0,0,0,0|2,0,1]=4 1938 B10R0.71 CCCC#CCCOCCC 34a_100000042726_100000210303 [0,1,0,0,0,0|1,0,2]=4 1939 B10R0.71 CCCC#CCCOCCC 7a_100000042726_100000210303 [0,1,0,0,0,0|1,0,2]=4 1940 B10R0.71 CCCC#CCCOCCO 34a_100000042726_100000211926 [0,1,0,0,0,0|1,0,2]=4 1941 B10R0.71 CCCC#CCCOCCO 7a_100000042726_100000211926 [0,1,0,0,0,0|1,0,2]=4 1942 B10R0.71 CCCC#CCOCCCC 34a_100000034806_100000210210 [0,1,0,0,0,0|1,0,2]=4 1943 B10R0.71 CCCC#CCOCCCC 7a_100000034806_100000210211 [0,1,0,0,0,0|1,0,2]=4 1944 B10R0.71 CCCC#CCOCCCO 34a_100000034806_100000230001 [0,1,0,0,0,0|1,0,2]=4 1945 B10R0.71 CCCC#CCOCCCO 7a_100000034806_100011215043 [0,1,0,0,0,0|1,0,2]=4 1946 B10R0.71 CCCC/C=C/COCCC 34a_200016272032_100000210303 [0,1,0,0,0,0|2,0,0]=3 1947 B10R0.71 CCCC/C=C/COCCC 7a_200016272032_100000210303 [0,1,0,0,0,0|2,0,0]=3 1948 B10R0.71 CCCC/C=C/COCCF 34a_200016272032_100011217306 [0,1,0,0,0,0|1,0,2]=4 1949 B10R0.71 CCCC/C=C/COCCF 7a_200016272032_100011217306 [0,1,0,0,0,0|1,0,2]=4 1950 B10R0.71 CCCC/C=C/COCCO 34a_200016272032_100000211926 [0,1,0,0,0,0|0,0,2]=3 1951 B10R0.71 CCCC/C=C/COCCO 7a_200016272032_100000211926 [0,1,0,0,0,0|0,0,2]=3 1952 B10R0.71 CCCC/C=C/COCSC 34a_200016272032_100011218213 [0,1,0,0,0,0|3,0,0]=4 1953 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [0,1,0,0,0,0|2,0,0]=3 1954 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [0,1,0,0,0,0|2,0,0]=3 1955 B10R0.71 CCCC/C=C\CCOCF 34a_200016286491_100015361967 [0,1,0,0,0,0|1,0,2]=4 1956 B10R0.71 CCCC/C=C\CCOCF 7a_200016286491_100015361967 [0,1,0,0,0,0|1,0,2]=4 1957 B10R0.71 CCCC=CC=NNCCC 4a_100000740057_100016266791 [0,1,0,0,0,0|2,0,1]=4 1958 B10R0.71 CCCC=CC=NNCCO 4a_100000210001_100016266791 [0,1,0,0,0,0|1,0,2]=4 1959 B10R0.71 CCCC=NNCCCCC 4a_100000694160_100000185831 [0,1,0,0,0,0|2,0,0]=3 1960 B10R0.71 CCCC=NNCCOCC 4a_100000732670_100000185831 [0,1,0,0,0,0|3,0,0]=4 1961 B10R0.71 CCCCC#CCCCOC 34a_100138415774_200000047210 [0,1,0,0,0,0|0,0,3]=4 1962 B10R0.71 CCCCC#CCOCCO 34a_200000034558_100000211926 [0,1,0,0,0,0|0,0,3]=4 1963 B10R0.71 CCCCC#CCOCCO 7a_200000034558_100000211926 [0,1,0,0,0,0|0,0,3]=4 1964 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [0,1,0,0,0,0|1,0,0]=2 1965 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [0,1,0,0,0,0|1,0,0]=2 1966 B10R0.71 CCCCC/C=C/COCF 34a_100016258190_100015361967 [0,1,0,0,0,0|1,0,0]=2 1967 B10R0.71 CCCCC/C=C/COCF 7a_100016258190_100015361967 [0,1,0,0,0,0|1,0,0]=2 1968 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [0,1,0,0,0,0|0,0,0]=1 1969 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [0,1,0,0,0,0|0,0,0]=1 1970 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [0,1,0,0,0,0|0,0,0]=1 1971 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [0,1,0,0,0,0|0,0,0]=1 1972 B10R0.71 CCCCC=CC=NNCC 4a_100000756455_100016268198 [0,1,0,0,0,0|2,0,1]=4 1973 B10R0.71 CCCCC=NNCCCC 4a_100025702795_100000210104 [0,1,0,0,0,0|2,0,1]=4 1974 B10R0.71 CCCCCC#CCCOC 34a_200000042877_200000210301 [0,1,0,0,0,0|0,0,2]=3 1975 B10R0.71 CCCCCC#CCCOC 7a_200000042877_200000210301 [0,1,0,0,0,0|0,0,2]=3 1976 B10R0.71 CCCCCC#CCCO[13CH3] 34a_200000042877_200025704644 [0,1,0,0,0,0|0,0,2]=3 1977 B10R0.71 CCCCCC#CCCO[13CH3] 7a_200000042877_200025704644 [0,1,0,0,0,0|0,0,2]=3 1978 B10R0.71 CCCCCC#CCNCC 2230a_100015525214_100009816472 [0,1,0,0,0,0|1,0,2]=4 1979 B10R0.71 CCCCCC#CCOCC 34a_100121572206_100009816472 [0,1,0,0,0,0|1,0,2]=4 1980 B10R0.71 CCCCCC#CCOCC 34a_200000033628_100000210202 [0,1,0,0,0,0|1,0,2]=4 1981 B10R0.71 CCCCCC#CCOCC 7a_200000033628_100000210202 [0,1,0,0,0,0|1,0,2]=4 1982 B10R0.71 CCCCCC#CCOCF 34a_200000033628_100015361967 [0,1,0,0,0,0|1,0,2]=4 1983 B10R0.71 CCCCCC#CCOCF 7a_200000033628_100015361967 [0,1,0,0,0,0|1,0,2]=4 1984 B10R0.71 CCCCCC#CCSCC 62a_100000210202_100009816472 [0,1,0,0,0,0|1,0,2]=4 1985 B10R0.71 CCCCCC#CCSCC 62a_100009816472_100000210202 [0,1,0,0,0,0|1,0,2]=4 1986 B10R0.71 CCCCCC#CCSCF 62a_100009816472_100015361967 [0,1,0,0,0,0|1,0,2]=4 1987 B10R0.71 CCCCCC#CCSCF 62a_100015361967_100009816472 [0,1,0,0,0,0|1,0,2]=4 1988 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [0,1,0,0,0,0|0,0,2]=3 1989 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [0,1,0,0,0,0|0,0,2]=3 1990 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [0,1,0,0,0,0|0,0,2]=3 1991 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [0,1,0,0,0,0|0,0,2]=3 1992 B10R0.71 CCCCCC=NNCCC 4a_100000740057_100000737632 [0,1,0,0,0,0|2,0,0]=3 1993 B10R0.71 CCCCCC=NNCCO 4a_100000210001_100000737632 [0,1,0,0,0,0|1,0,0]=2 1994 B10R0.71 CCCCCCC#CCOC 34a_200000037284_200000210301 [0,1,0,0,0,0|0,0,3]=4 1995 B10R0.71 CCCCCCC#CCOC 7a_200000037284_200000210301 [0,1,0,0,0,0|0,0,3]=4 1996 B10R0.71 CCCCCCC#CCO[13CH3] 34a_200000037284_200025704644 [0,1,0,0,0,0|0,0,3]=4 1997 B10R0.71 CCCCCCC#CCO[13CH3] 7a_200000037284_200025704644 [0,1,0,0,0,0|0,0,3]=4 1998 B10R0.71 CCCCCCC=NNCC 4a_100000756455_100000234349 [0,1,0,0,0,0|2,0,1]=4 1999 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [0,1,0,0,0,0|1,0,2]=4 2000 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [0,1,0,0,0,0|1,0,2]=4 2001 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [0,1,0,0,0,0|1,0,2]=4 2002 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [0,1,0,0,0,0|1,0,2]=4 2003 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [0,1,0,0,0,0|1,0,2]=4 2004 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [0,1,0,0,0,0|1,0,2]=4 2005 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [0,1,0,0,0,0|1,0,2]=4 2006 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [0,1,0,0,0,0|0,0,2]=3 2007 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [0,1,0,0,0,0|0,0,2]=3 2008 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [0,1,0,0,0,0|0,0,2]=3 2009 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [0,1,0,0,0,0|0,0,2]=3 2010 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [0,1,0,0,0,0|0,0,2]=3 2011 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [0,1,0,0,0,0|0,1,2]=4 2012 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [0,1,0,0,0,0|0,1,2]=4 2013 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [0,1,0,0,0,0|1,0,2]=4 2014 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [0,1,0,0,0,0|1,0,2]=4 2015 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [0,1,0,0,0,0|1,0,2]=4 2016 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [0,1,0,0,0,0|1,0,2]=4 2017 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [0,1,0,0,0,0|1,0,2]=4 2018 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [0,1,0,0,0,0|1,0,2]=4 2019 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [0,1,0,0,0,0|1,0,2]=4 2020 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [0,1,0,0,0,0|1,0,2]=4 2021 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [0,1,0,0,0,0|1,0,2]=4 2022 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [0,1,0,0,0,0|1,0,2]=4 2023 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [0,1,0,0,0,0|1,0,2]=4 2024 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [0,1,0,0,0,0|1,0,2]=4 2025 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [0,1,0,0,0,0|1,0,2]=4 2026 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [0,1,0,0,0,0|1,0,2]=4 2027 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [0,1,0,0,0,0|1,0,2]=4 2028 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [0,1,0,0,0,0|1,0,2]=4 2029 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [0,1,0,0,0,0|0,0,2]=3 2030 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [0,1,0,0,0,0|0,0,2]=3 2031 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [0,1,0,0,0,0|0,0,2]=3 2032 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [0,1,0,0,0,0|1,0,2]=4 2033 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [0,1,0,0,0,0|1,0,2]=4 2034 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [0,1,0,0,0,0|1,0,2]=4 2035 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [0,1,0,0,0,0|1,0,2]=4 2036 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [0,1,0,0,0,0|1,0,2]=4 2037 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [0,1,0,0,0,0|1,0,2]=4 2038 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [0,1,0,0,0,0|1,0,2]=4 2039 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [0,1,0,0,0,0|1,0,2]=4 2040 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [0,1,0,0,0,0|0,0,2]=3 2041 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [0,1,0,0,0,0|0,0,2]=3 2042 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [0,1,0,0,0,0|1,0,2]=4 2043 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [0,1,0,0,0,0|1,0,2]=4 2044 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [0,1,0,0,0,0|1,0,2]=4 2045 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [0,1,0,0,0,0|1,0,2]=4 2046 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [0,1,0,0,0,0|0,0,2]=3 2047 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [0,1,0,0,0,0|0,0,2]=3 2048 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [0,1,0,0,0,0|1,0,2]=4 2049 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [0,1,0,0,0,0|1,0,2]=4 2050 B10R0.71 CCCCCCNCCC#N 2230a_100000210581_100011215226 [0,1,0,0,0,0|2,0,1]=4 2051 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [0,1,0,0,0,0|1,0,2]=4 2052 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [0,1,0,0,0,0|1,0,2]=4 2053 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [0,1,0,0,0,0|1,0,2]=4 2054 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [0,1,0,0,0,0|1,0,2]=4 2055 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [0,1,0,0,0,0|1,0,2]=4 2056 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [0,1,0,0,0,0|1,0,2]=4 2057 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [0,1,0,0,0,0|0,0,2]=3 2058 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [0,1,0,0,0,0|1,0,1]=3 2059 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [0,1,0,0,0,0|1,0,1]=3 2060 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [0,1,0,0,0,0|1,1,1]=4 2061 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [0,1,0,0,0,0|1,1,1]=4 2062 B10R0.71 CCCCCCOCCC#N 7a_100000210259_100000184422 [0,1,0,0,0,0|2,0,1]=4 2063 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [0,1,0,0,0,0|1,0,2]=4 2064 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [0,1,0,0,0,0|1,0,2]=4 2065 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [0,1,0,0,0,0|1,0,2]=4 2066 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [0,1,0,0,0,0|1,0,2]=4 2067 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [0,1,0,0,0,0|1,0,2]=4 2068 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [0,1,0,0,0,0|1,0,2]=4 2069 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [0,1,0,0,0,0|1,0,2]=4 2070 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [0,1,0,0,0,0|1,0,2]=4 2071 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [0,1,0,0,0,0|1,0,2]=4 2072 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [0,1,0,0,0,0|1,0,2]=4 2073 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [0,1,0,0,0,0|0,0,2]=3 2074 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [0,1,0,0,0,0|0,0,2]=3 2075 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [0,1,0,0,0,0|1,0,1]=3 2076 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [0,1,0,0,0,0|1,0,1]=3 2077 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [0,1,0,0,0,0|1,0,1]=3 2078 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [0,1,0,0,0,0|1,0,1]=3 2079 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [0,1,0,0,0,0|1,0,1]=3 2080 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [0,1,0,0,0,0|1,0,1]=3 2081 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [0,1,0,0,0,0|1,0,1]=3 2082 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [0,1,0,0,0,0|1,0,1]=3 2083 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [0,1,0,0,0,0|1,1,1]=4 2084 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [0,1,0,0,0,0|1,1,1]=4 2085 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [0,1,0,0,0,0|1,1,1]=4 2086 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [0,1,0,0,0,0|1,1,1]=4 2087 B10R0.71 CCCCCCSCCC#N 62a_100000210314_100011215226 [0,1,0,0,0,0|2,0,1]=4 2088 B10R0.71 CCCCCCSCCC#N 62a_100011215226_100000210757 [0,1,0,0,0,0|2,0,1]=4 2089 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [0,1,0,0,0,0|1,0,2]=4 2090 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [0,1,0,0,0,0|1,0,2]=4 2091 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [0,1,0,0,0,0|1,0,2]=4 2092 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [0,1,0,0,0,0|1,0,2]=4 2093 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [0,1,0,0,0,0|0,0,2]=3 2094 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [0,1,0,0,0,0|0,0,2]=3 2095 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [0,1,0,0,0,0|1,0,1]=3 2096 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [0,1,0,0,0,0|1,0,1]=3 2097 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [0,1,0,0,0,0|1,1,1]=4 2098 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [0,1,0,0,0,0|1,1,1]=4 2099 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [0,1,0,0,0,0|2,0,1]=4 2100 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [0,1,0,0,0,0|2,0,1]=4 2101 B10R0.71 CCCCCNCC#CCO 2230a_100000209983_200000047223 [0,1,0,0,0,0|0,0,3]=4 2102 B10R0.71 CCCCCNCCCC#N 2230a_100000209983_100000687738 [0,1,0,0,0,0|2,0,1]=4 2103 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [0,1,0,0,0,0|1,0,2]=4 2104 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [0,1,0,0,0,0|1,0,2]=4 2105 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [0,1,0,0,0,0|1,0,2]=4 2106 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [0,1,0,0,0,0|0,0,2]=3 2107 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [0,1,0,0,0,0|0,0,2]=3 2108 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [0,1,0,0,0,0|0,0,2]=3 2109 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [0,1,0,0,0,0|1,0,1]=3 2110 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [0,1,0,0,0,0|1,0,1]=3 2111 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [0,1,0,0,0,0|1,1,1]=4 2112 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [0,1,0,0,0,0|2,0,1]=4 2113 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [0,1,0,0,0,0|2,0,1]=4 2114 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [0,1,0,0,0,0|2,0,1]=4 2115 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [0,1,0,0,0,0|2,0,1]=4 2116 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [0,1,0,0,0,0|2,0,1]=4 2117 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [0,1,0,0,0,0|2,0,1]=4 2118 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [0,1,0,0,0,0|2,0,1]=4 2119 B10R0.71 CCCCCOCC#CCO 34a_100000210253_200000047223 [0,1,0,0,0,0|0,0,3]=4 2120 B10R0.71 CCCCCOCC#CCO 7a_100000210253_200000047223 [0,1,0,0,0,0|0,0,3]=4 2121 B10R0.71 CCCCCOCCCC#N 7a_100000210253_100000687738 [0,1,0,0,0,0|2,0,1]=4 2122 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [0,1,0,0,0,0|1,0,2]=4 2123 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [0,1,0,0,0,0|1,0,2]=4 2124 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [0,1,0,0,0,0|1,0,2]=4 2125 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [0,1,0,0,0,0|1,0,2]=4 2126 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [0,1,0,0,0,0|1,0,2]=4 2127 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [0,1,0,0,0,0|1,0,2]=4 2128 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [0,1,0,0,0,0|1,0,2]=4 2129 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [0,1,0,0,0,0|1,0,2]=4 2130 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [0,1,0,0,0,0|1,0,2]=4 2131 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [0,1,0,0,0,0|1,0,2]=4 2132 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [0,1,0,0,0,0|1,0,2]=4 2133 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [0,1,0,0,0,0|1,0,2]=4 2134 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [0,1,0,0,0,0|0,0,2]=3 2135 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [0,1,0,0,0,0|0,0,2]=3 2136 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [0,1,0,0,0,0|2,0,1]=4 2137 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [0,1,0,0,0,0|1,0,1]=3 2138 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [0,1,0,0,0,0|1,0,1]=3 2139 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [0,1,0,0,0,0|1,0,1]=3 2140 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [0,1,0,0,0,0|1,1,1]=4 2141 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [0,1,0,0,0,0|1,1,1]=4 2142 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [0,1,0,0,0,0|2,0,1]=4 2143 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [0,1,0,0,0,0|2,0,1]=4 2144 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [0,1,0,0,0,0|2,0,1]=4 2145 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [0,1,0,0,0,0|2,0,1]=4 2146 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [0,1,0,0,0,0|2,0,1]=4 2147 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [0,1,0,0,0,0|2,0,1]=4 2148 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [0,1,0,0,0,0|2,0,1]=4 2149 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [0,1,0,0,0,0|2,0,1]=4 2150 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [0,1,0,0,0,0|2,0,1]=4 2151 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [0,1,0,0,0,0|2,0,1]=4 2152 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [0,1,0,0,0,0|2,0,1]=4 2153 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [0,1,0,0,0,0|2,0,1]=4 2154 B10R0.71 CCCCCSCC#CCO 62a_100000210326_200000047223 [0,1,0,0,0,0|0,0,3]=4 2155 B10R0.71 CCCCCSCC#CCO 62a_200000047223_100000210326 [0,1,0,0,0,0|0,0,3]=4 2156 B10R0.71 CCCCCSCCCC#N 62a_100000210326_100000687738 [0,1,0,0,0,0|2,0,1]=4 2157 B10R0.71 CCCCCSCCCC#N 62a_100000687738_100000210326 [0,1,0,0,0,0|2,0,1]=4 2158 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [0,1,0,0,0,0|1,0,2]=4 2159 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [0,1,0,0,0,0|1,0,2]=4 2160 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [0,1,0,0,0,0|1,0,2]=4 2161 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [0,1,0,0,0,0|1,0,2]=4 2162 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [0,1,0,0,0,0|1,0,2]=4 2163 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [0,1,0,0,0,0|0,0,2]=3 2164 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [0,1,0,0,0,0|0,0,2]=3 2165 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [0,1,0,0,0,0|1,0,1]=3 2166 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [0,1,0,0,0,0|1,0,1]=3 2167 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [0,1,0,0,0,0|2,0,1]=4 2168 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [0,1,0,0,0,0|2,0,1]=4 2169 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [0,1,0,0,0,0|2,0,1]=4 2170 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [0,1,0,0,0,0|2,0,1]=4 2171 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [0,1,0,0,0,0|1,0,2]=4 2172 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [0,1,0,0,0,0|1,0,2]=4 2173 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [0,1,0,0,0,0|0,0,2]=3 2174 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [0,1,0,0,0,0|0,0,2]=3 2175 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [0,1,0,0,0,0|0,0,2]=3 2176 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [0,1,0,0,0,0|0,0,2]=3 2177 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [0,1,0,0,0,0|1,0,2]=4 2178 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [0,1,0,0,0,0|1,0,2]=4 2179 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [0,1,0,0,0,0|1,0,2]=4 2180 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [0,1,0,0,0,0|1,0,2]=4 2181 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [0,1,0,0,0,0|2,0,1]=4 2182 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [0,1,0,0,0,0|2,0,1]=4 2183 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [0,1,0,0,0,0|2,0,1]=4 2184 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [0,1,0,0,0,0|2,0,1]=4 2185 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [0,1,0,0,0,0|2,0,1]=4 2186 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [0,1,0,0,0,0|2,0,1]=4 2187 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [0,1,0,0,0,0|2,0,1]=4 2188 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [0,1,0,0,0,0|2,0,1]=4 2189 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [0,1,0,0,0,0|1,0,1]=3 2190 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [0,1,0,0,0,0|1,0,1]=3 2191 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [0,1,0,0,0,0|1,0,1]=3 2192 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [0,1,0,0,0,0|1,0,1]=3 2193 B10R0.71 CCCCNCCSCCC 2230a_100020603323_100000210211 [0,1,0,0,0,0|2,0,1]=4 2194 B10R0.71 CCCCNCCSCCO 2230a_100011219999_100000210211 [0,1,0,0,0,0|1,0,1]=3 2195 B10R0.71 CCCCNCOCCCC 2230a_100000102301_100011995733 [0,1,0,0,0,0|2,0,1]=4 2196 B10R0.71 CCCCNCOCCOC 2230a_100000102301_100000231047 [0,1,0,0,0,0|2,0,1]=4 2197 B10R0.71 CCCCNN=CCCSC 4a_100025702795_100000210997 [0,1,0,0,0,0|2,1,0]=4 2198 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [0,1,0,0,0,0|1,0,2]=4 2199 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [0,1,0,0,0,0|1,0,2]=4 2200 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [0,1,0,0,0,0|1,0,2]=4 2201 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [0,1,0,0,0,0|1,0,2]=4 2202 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [0,1,0,0,0,0|1,0,2]=4 2203 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [0,1,0,0,0,0|1,0,2]=4 2204 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [0,1,0,0,0,0|1,0,2]=4 2205 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [0,1,0,0,0,0|1,0,2]=4 2206 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [0,1,0,0,0,0|1,0,2]=4 2207 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [0,1,0,0,0,0|0,0,2]=3 2208 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [0,1,0,0,0,0|0,0,2]=3 2209 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [0,1,0,0,0,0|1,0,2]=4 2210 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [0,1,0,0,0,0|1,0,2]=4 2211 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [0,1,0,0,0,0|1,0,2]=4 2212 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [0,1,0,0,0,0|1,0,2]=4 2213 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [0,1,0,0,0,0|1,0,2]=4 2214 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [0,1,0,0,0,0|1,0,2]=4 2215 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [0,1,0,0,0,0|1,0,2]=4 2216 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [0,1,0,0,0,0|2,0,1]=4 2217 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [0,1,0,0,0,0|2,0,1]=4 2218 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [0,1,0,0,0,0|2,0,1]=4 2219 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [0,1,0,0,0,0|2,0,1]=4 2220 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [0,1,0,0,0,0|2,0,1]=4 2221 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [0,1,0,0,0,0|2,0,1]=4 2222 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [0,1,0,0,0,0|2,0,1]=4 2223 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [0,1,0,0,0,0|2,0,1]=4 2224 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [0,1,0,0,0,0|2,0,1]=4 2225 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [0,1,0,0,0,0|2,0,1]=4 2226 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [0,1,0,0,0,0|2,0,1]=4 2227 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [0,1,0,0,0,0|2,0,1]=4 2228 B10R0.71 CCCCOCCNCCF 34a_100000724931_100000743108 [0,1,0,0,0,0|2,0,1]=4 2229 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [0,1,0,0,0,0|1,0,1]=3 2230 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [0,1,0,0,0,0|1,0,1]=3 2231 B10R0.71 CCCCOCCOCCBr 34a_100000211926_100000743108 [0,1,0,0,0,0|2,0,1]=4 2232 B10R0.71 CCCCOCCOCCBr 34a_100000692535_100000210210 [0,1,0,0,0,0|2,0,1]=4 2233 B10R0.71 CCCCOCCOCCBr 7a_100000692535_100000210211 [0,1,0,0,0,0|2,0,1]=4 2234 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [0,1,0,0,0,0|2,0,1]=4 2235 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [0,1,0,0,0,0|2,0,1]=4 2236 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [0,1,0,0,0,0|2,0,1]=4 2237 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [0,1,0,0,0,0|2,0,1]=4 2238 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [0,1,0,0,0,0|2,0,1]=4 2239 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [0,1,0,0,0,0|2,0,1]=4 2240 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [0,1,0,0,0,0|2,0,1]=4 2241 B10R0.71 CCCCOCCOCCCl 34a_100011215305_100000210210 [0,1,0,0,0,0|2,0,1]=4 2242 B10R0.71 CCCCOCCOCCCl 7a_100011215305_100000210211 [0,1,0,0,0,0|2,0,1]=4 2243 B10R0.71 CCCCOCCOCCF 34a_100000210238_100011217306 [0,1,0,0,0,0|2,0,1]=4 2244 B10R0.71 CCCCOCCOCCF 34a_200015357709_100000210210 [0,1,0,0,0,0|2,0,1]=4 2245 B10R0.71 CCCCOCCOCCF 7a_100000210238_100011217306 [0,1,0,0,0,0|2,0,1]=4 2246 B10R0.71 CCCCOCCOCCF 7a_200015357709_100000210211 [0,1,0,0,0,0|2,0,1]=4 2247 B10R0.71 CCCCOCCOCCI 34a_100012149058_100000210210 [0,1,0,0,0,0|2,0,1]=4 2248 B10R0.71 CCCCOCCOCCI 7a_100012149058_100000210211 [0,1,0,0,0,0|2,0,1]=4 2249 B10R0.71 CCCCOCCOCCN 34a_100000210304_100000743108 [0,1,0,0,0,0|2,0,1]=4 2250 B10R0.71 CCCCOCCOCCN 34a_100000211614_100000210210 [0,1,0,0,0,0|2,0,1]=4 2251 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [0,1,0,0,0,0|1,0,1]=3 2252 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [0,1,0,0,0,0|1,0,1]=3 2253 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [0,1,0,0,0,0|1,0,1]=3 2254 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [0,1,0,0,0,0|1,0,1]=3 2255 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [0,1,0,0,0,0|2,0,1]=4 2256 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [0,1,0,0,0,0|2,0,1]=4 2257 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [0,1,0,0,0,0|2,0,1]=4 2258 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [0,1,0,0,0,0|2,0,1]=4 2259 B10R0.71 CCCCOCCSCCF 62a_100000743108_100011217306 [0,1,0,0,0,0|2,0,1]=4 2260 B10R0.71 CCCCOCCSCCF 62a_100011217306_100000743108 [0,1,0,0,0,0|2,0,1]=4 2261 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [0,1,0,0,0,0|1,0,1]=3 2262 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [0,1,0,0,0,0|1,0,1]=3 2263 B10R0.71 CCCCOCNCCCF 2230a_100015189416_100011995733 [0,1,0,0,0,0|2,0,1]=4 2264 B10R0.71 CCCCOCNCCCF 34a_100015189416_100011995733 [0,1,0,0,0,0|2,0,1]=4 2265 B10R0.71 CCCCOCNCCOC 2230a_100000209980_100011995733 [0,1,0,0,0,0|2,0,1]=4 2266 B10R0.71 CCCCOCOCCCBr 34a_100011217188_100011995733 [0,1,0,0,0,0|2,0,1]=4 2267 B10R0.71 CCCCOCOCCCC 34a_100000210227_100011995733 [0,1,0,0,0,0|2,0,1]=4 2268 B10R0.71 CCCCOCOCCCCl 34a_100000230001_100011995733 [0,1,0,0,0,0|2,0,1]=4 2269 B10R0.71 CCCCOCOCCCF 34a_100000759539_100011995733 [0,1,0,0,0,0|2,0,1]=4 2270 B10R0.71 CCCCOCOCCCN 34a_100000182051_100011995733 [0,1,0,0,0,0|2,0,1]=4 2271 B10R0.71 CCCCOCOCCOC 34a_100000210237_100011995733 [0,1,0,0,0,0|2,0,1]=4 2272 B10R0.71 CCCCOCOCCON 34a_100000700252_100011995733 [0,1,0,0,0,0|2,0,1]=4 2273 B10R0.71 CCCCOCSCCCC 62a_100000210211_100011995733 [0,1,0,0,0,0|2,0,1]=4 2274 B10R0.71 CCCCOCSCCCC 62a_100011995733_100000210210 [0,1,0,0,0,0|2,0,1]=4 2275 B10R0.71 CCCCOCSCCCF 62a_100011934791_100011995733 [0,1,0,0,0,0|2,0,1]=4 2276 B10R0.71 CCCCOCSCCCF 62a_100011995733_100011934791 [0,1,0,0,0,0|2,0,1]=4 2277 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [0,1,0,0,0,0|1,0,1]=3 2278 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [0,1,0,0,0,0|1,0,1]=3 2279 B10R0.71 CCCCOCSCCOC 62a_100000233755_100011995733 [0,1,0,0,0,0|2,0,1]=4 2280 B10R0.71 CCCCOCSCCOC 62a_100011995733_100000233755 [0,1,0,0,0,0|2,0,1]=4 2281 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [0,1,0,0,0,0|1,0,2]=4 2282 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [0,1,0,0,0,0|1,0,2]=4 2283 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [0,1,0,0,0,0|0,0,2]=3 2284 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [0,1,0,0,0,0|0,0,2]=3 2285 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [0,1,0,0,0,0|1,0,2]=4 2286 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [0,1,0,0,0,0|1,0,2]=4 2287 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [0,1,0,0,0,0|2,0,1]=4 2288 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [0,1,0,0,0,0|2,0,1]=4 2289 B10R0.71 CCCCSCCNCCC 2230a_100025743550_100000210303 [0,1,0,0,0,0|2,0,1]=4 2290 B10R0.71 CCCCSCCNCCF 2230a_100025743550_100011217306 [0,1,0,0,0,0|2,0,1]=4 2291 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [0,1,0,0,0,0|1,0,1]=3 2292 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [0,1,0,0,0,0|2,0,1]=4 2293 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [0,1,0,0,0,0|2,0,1]=4 2294 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [0,1,0,0,0,0|2,0,1]=4 2295 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [0,1,0,0,0,0|2,0,1]=4 2296 B10R0.71 CCCCSCCOCCF 34a_200000230436_100011217306 [0,1,0,0,0,0|2,0,1]=4 2297 B10R0.71 CCCCSCCOCCF 7a_200000230436_100011217306 [0,1,0,0,0,0|2,0,1]=4 2298 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [0,1,0,0,0,0|1,0,1]=3 2299 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [0,1,0,0,0,0|1,0,1]=3 2300 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [0,1,0,0,0,0|1,0,1]=3 2301 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [0,1,0,0,0,0|1,0,1]=3 2302 B10R0.71 CCCCSCOCCOC 62a_100000210211_100000231047 [0,1,0,0,0,0|2,0,1]=4 2303 B10R0.71 CCCCSCOCCOC 62a_100000231047_100000210210 [0,1,0,0,0,0|2,0,1]=4 2304 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [0,1,0,0,0,0|0,0,2]=3 2305 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [0,1,0,0,0,0|0,0,2]=3 2306 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [0,1,0,0,0,0|1,0,2]=4 2307 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [0,1,0,0,0,0|1,0,2]=4 2308 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [0,1,0,0,0,0|2,0,1]=4 2309 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [0,1,0,0,0,0|2,0,1]=4 2310 B10R0.71 CCCNCCOCCOC 2230a_100000745349_100000210303 [0,1,0,0,0,0|2,0,1]=4 2311 B10R0.71 CCCNCCOCCOC 34a_100000745349_100000210303 [0,1,0,0,0,0|2,0,1]=4 2312 B10R0.71 CCCNN=CCCCCO 4a_100000740057_100000031955 [0,1,0,0,0,0|2,0,1]=4 2313 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [0,1,0,0,0,0|1,0,2]=4 2314 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [0,1,0,0,0,0|1,0,2]=4 2315 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [0,1,0,0,0,0|1,0,2]=4 2316 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [0,1,0,0,0,0|1,0,2]=4 2317 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [0,1,0,0,0,0|1,0,2]=4 2318 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [0,1,0,0,0,0|1,0,2]=4 2319 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [0,1,0,0,0,0|1,0,2]=4 2320 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [0,1,0,0,0,0|1,0,2]=4 2321 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [0,1,0,0,0,0|0,0,2]=3 2322 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [0,1,0,0,0,0|2,0,1]=4 2323 B10R0.71 CCCOCCCNCCF 2230a_100011217757_100011217306 [0,1,0,0,0,0|2,0,1]=4 2324 B10R0.71 CCCOCCCNCCF 34a_100011217757_100011217306 [0,1,0,0,0,0|2,0,1]=4 2325 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [0,1,0,0,0,0|1,0,1]=3 2326 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [0,1,0,0,0,0|1,0,1]=3 2327 B10R0.71 CCCOCCNCCCF 2230a_100015189416_100011215938 [0,1,0,0,0,0|2,0,1]=4 2328 B10R0.71 CCCOCCNCCCF 2230a_100161115042_100011934791 [0,1,0,0,0,0|2,0,1]=4 2329 B10R0.71 CCCOCCNCCCF 34a_100015189416_100011215938 [0,1,0,0,0,0|2,0,1]=4 2330 B10R0.71 CCCOCCNCCCF 34a_100161115042_100011934791 [0,1,0,0,0,0|2,0,1]=4 2331 B10R0.71 CCCOCCNCCCO 2230a_100161115042_100000230001 [0,1,0,0,0,0|1,0,1]=3 2332 B10R0.71 CCCOCCNCCCO 34a_100161115042_100000230001 [0,1,0,0,0,0|1,0,1]=3 2333 B10R0.71 CCCOCCNCCOC 2230a_100000209980_100011215938 [0,1,0,0,0,0|2,0,1]=4 2334 B10R0.71 CCCOCCNCCOC 2230a_100161115042_100011201679 [0,1,0,0,0,0|2,0,1]=4 2335 B10R0.71 CCCOCCNCCOC 34a_100161115042_100011201679 [0,1,0,0,0,0|2,0,1]=4 2336 B10R0.71 CCCOCCOCCCBr 34a_100011217188_100011215938 [0,1,0,0,0,0|2,0,1]=4 2337 B10R0.71 CCCOCCOCCCCl 34a_100000230001_100011215938 [0,1,0,0,0,0|2,0,1]=4 2338 B10R0.71 CCCOCCOCCCF 34a_100000752267_100011934791 [0,1,0,0,0,0|2,0,1]=4 2339 B10R0.71 CCCOCCOCCCF 34a_100000759539_100011215938 [0,1,0,0,0,0|2,0,1]=4 2340 B10R0.71 CCCOCCOCCCF 7a_100000752267_100011934791 [0,1,0,0,0,0|2,0,1]=4 2341 B10R0.71 CCCOCCOCCCN 34a_100000182051_100011215938 [0,1,0,0,0,0|2,0,1]=4 2342 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [0,1,0,0,0,0|1,0,1]=3 2343 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [0,1,0,0,0,0|1,0,1]=3 2344 B10R0.71 CCCOCCOCCOC 34a_100000210237_100011215938 [0,1,0,0,0,0|2,0,1]=4 2345 B10R0.71 CCCOCCOCCOC 34a_100000210258_100000695917 [0,1,0,0,0,0|2,0,1]=4 2346 B10R0.71 CCCOCCOCCOC 34a_100000752267_100011201679 [0,1,0,0,0,0|2,0,1]=4 2347 B10R0.71 CCCOCCOCCOC 34a_100011215163_100000210303 [0,1,0,0,0,0|2,0,1]=4 2348 B10R0.71 CCCOCCOCCOC 7a_100000752267_100000233755 [0,1,0,0,0,0|2,0,1]=4 2349 B10R0.71 CCCOCCOCCOC 7a_100011215163_100000210303 [0,1,0,0,0,0|2,0,1]=4 2350 B10R0.71 CCCOCCOCCON 34a_100000700252_100011215938 [0,1,0,0,0,0|2,0,1]=4 2351 B10R0.71 CCCOCCSCCCF 62a_100011215938_100011934791 [0,1,0,0,0,0|2,0,1]=4 2352 B10R0.71 CCCOCCSCCCF 62a_100011934791_100011215938 [0,1,0,0,0,0|2,0,1]=4 2353 B10R0.71 CCCOCCSCCCO 62a_100011215043_100011215938 [0,1,0,0,0,0|1,0,1]=3 2354 B10R0.71 CCCOCCSCCCO 62a_100011215938_100011215043 [0,1,0,0,0,0|1,0,1]=3 2355 B10R0.71 CCCOCCSCCOC 62a_100000233755_100011215938 [0,1,0,0,0,0|2,0,1]=4 2356 B10R0.71 CCCOCCSCCOC 62a_100011215938_100000233755 [0,1,0,0,0,0|2,0,1]=4 2357 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [0,1,0,0,0,0|1,0,2]=4 2358 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [0,1,0,0,0,0|1,0,2]=4 2359 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [0,1,0,0,0,0|0,0,2]=3 2360 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [0,1,0,0,0,0|0,0,2]=3 2361 B10R0.71 CCCSCCNCCCF 2230a_100020603323_100011934791 [0,1,0,0,0,0|2,0,1]=4 2362 B10R0.71 CCCSCCNCCCO 2230a_100020603323_100000230001 [0,1,0,0,0,0|1,0,1]=3 2363 B10R0.71 CCCSCCNCCOC 2230a_100020603323_100011201679 [0,1,0,0,0,0|2,0,1]=4 2364 B10R0.71 CCCSCCOCCCF 34a_200000230433_100011934791 [0,1,0,0,0,0|2,0,1]=4 2365 B10R0.71 CCCSCCOCCCF 7a_200000230433_100011934791 [0,1,0,0,0,0|2,0,1]=4 2366 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [0,1,0,0,0,0|1,0,1]=3 2367 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [0,1,0,0,0,0|1,0,1]=3 2368 B10R0.71 CCCSCCOCCOC 34a_200000230433_100011201679 [0,1,0,0,0,0|2,0,1]=4 2369 B10R0.71 CCCSCCOCCOC 62a_100000210303_100000695917 [0,1,0,0,0,0|2,0,1]=4 2370 B10R0.71 CCCSCCOCCOC 62a_100000695917_100000210303 [0,1,0,0,0,0|2,0,1]=4 2371 B10R0.71 CCCSCCOCCOC 7a_200000230433_100000233755 [0,1,0,0,0,0|2,0,1]=4 2372 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [0,1,0,0,0,0|0,0,2]=3 2373 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [0,1,0,0,0,0|0,0,2]=3 2374 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [0,1,0,0,0,0|0,0,2]=3 2375 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [0,1,0,0,0,0|1,0,2]=4 2376 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [0,1,0,0,0,0|1,0,1]=3 2377 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [0,1,0,0,0,0|1,0,1]=3 2378 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [0,1,0,0,0,0|2,0,1]=4 2379 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [0,1,0,0,0,0|2,0,1]=4 2380 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [0,1,0,0,0,0|2,0,1]=4 2381 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [0,1,0,0,0,0|1,0,2]=4 2382 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [0,1,0,0,0,0|1,0,2]=4 2383 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [0,1,0,0,0,0|1,0,2]=4 2384 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [0,1,0,0,0,0|0,0,2]=3 2385 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [0,1,0,0,0,0|1,0,2]=4 2386 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [0,1,0,0,0,0|1,0,2]=4 2387 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [0,1,0,0,0,0|1,0,2]=4 2388 B10R0.71 CCOCCCNCCCF 2230a_100000210961_100011934791 [0,1,0,0,0,0|2,0,1]=4 2389 B10R0.71 CCOCCCNCCCF 2230a_100015189416_100012232248 [0,1,0,0,0,0|2,0,1]=4 2390 B10R0.71 CCOCCCNCCCF 34a_100000210961_100011934791 [0,1,0,0,0,0|2,0,1]=4 2391 B10R0.71 CCOCCCNCCCF 34a_100015189416_100012232248 [0,1,0,0,0,0|2,0,1]=4 2392 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [0,1,0,0,0,0|1,0,1]=3 2393 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [0,1,0,0,0,0|1,0,1]=3 2394 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [0,1,0,0,0,0|2,0,1]=4 2395 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [0,1,0,0,0,0|2,0,1]=4 2396 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [0,1,0,0,0,0|2,0,1]=4 2397 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [0,1,0,0,0,0|2,0,1]=4 2398 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [0,1,0,0,0,0|2,0,1]=4 2399 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [0,1,0,0,0,0|2,0,1]=4 2400 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [0,1,0,0,0,0|2,0,1]=4 2401 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [0,1,0,0,0,0|2,0,1]=4 2402 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [0,1,0,0,0,0|2,0,1]=4 2403 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [0,1,0,0,0,0|2,0,1]=4 2404 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [0,1,0,0,0,0|1,0,1]=3 2405 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [0,1,0,0,0,0|1,0,1]=3 2406 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [0,1,0,0,0,0|2,0,1]=4 2407 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [0,1,0,0,0,0|2,0,1]=4 2408 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [0,1,0,0,0,0|2,0,1]=4 2409 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [0,1,0,0,0,0|2,0,1]=4 2410 B10R0.71 CCOCCCOCCON 34a_100000700252_100012232248 [0,1,0,0,0,0|2,0,1]=4 2411 B10R0.71 CCOCCCSCCCF 62a_100011934791_100012232248 [0,1,0,0,0,0|2,0,1]=4 2412 B10R0.71 CCOCCCSCCCF 62a_100012232248_100011934791 [0,1,0,0,0,0|2,0,1]=4 2413 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [0,1,0,0,0,0|1,0,1]=3 2414 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [0,1,0,0,0,0|1,0,1]=3 2415 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [0,1,0,0,0,0|2,0,1]=4 2416 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [0,1,0,0,0,0|2,0,1]=4 2417 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [0,1,0,0,0,0|1,0,2]=4 2418 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [0,1,0,0,0,0|1,0,2]=4 2419 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [0,1,0,0,0,0|1,0,2]=4 2420 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [0,1,0,0,0,0|1,0,2]=4 2421 B10R0.71 CCOCCNCCCOC 2230a_102516460346_100000740836 [0,1,0,0,0,0|2,0,1]=4 2422 B10R0.71 CCOCCNCCCOC 34a_100150723488_100000210147 [0,1,0,0,0,0|2,0,1]=4 2423 B10R0.71 CCOCCNCCCOC 34a_102516460346_100000740836 [0,1,0,0,0,0|2,0,1]=4 2424 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [0,1,0,0,0,0|1,0,2]=4 2425 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [0,1,0,0,0,0|1,0,2]=4 2426 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [0,1,0,0,0,0|2,0,1]=4 2427 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [0,1,0,0,0,0|2,0,1]=4 2428 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [0,1,0,0,0,0|2,0,1]=4 2429 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [0,1,0,0,0,0|1,0,2]=4 2430 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [0,1,0,0,0,0|1,0,2]=4 2431 B10R0.71 CCOCCSCCCOC 62a_100000210147_100000709357 [0,1,0,0,0,0|2,0,1]=4 2432 B10R0.71 CCOCCSCCCOC 62a_100000709357_100011215890 [0,1,0,0,0,0|2,0,1]=4 2433 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [0,1,0,0,0,0|1,0,2]=4 2434 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [0,1,0,0,0,0|1,0,2]=4 2435 B10R0.71 CCOCSCCOCCO 62a_100000739092_100011215305 [0,1,0,0,0,0|2,0,1]=4 2436 B10R0.71 CCOCSCCOCCO 62a_100011215305_100000739092 [0,1,0,0,0,0|2,0,1]=4 2437 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [0,1,0,0,0,0|0,0,2]=3 2438 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [0,1,0,0,0,0|0,0,2]=3 2439 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [0,1,0,0,0,0|1,0,2]=4 2440 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [0,1,0,0,0,0|1,0,2]=4 2441 B10R0.71 CCSCCCOCCCF 34a_100011216438_100011934791 [0,1,0,0,0,0|2,0,1]=4 2442 B10R0.71 CCSCCCOCCCF 7a_100011216438_100011934791 [0,1,0,0,0,0|2,0,1]=4 2443 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [0,1,0,0,0,0|1,0,1]=3 2444 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [0,1,0,0,0,0|1,0,1]=3 2445 B10R0.71 CCSCCCOCCOC 34a_100011216438_100011201679 [0,1,0,0,0,0|2,0,1]=4 2446 B10R0.71 CCSCCCOCCOC 62a_100000210202_100011216529 [0,1,0,0,0,0|2,0,1]=4 2447 B10R0.71 CCSCCCOCCOC 62a_100011216529_100000210202 [0,1,0,0,0,0|2,0,1]=4 2448 B10R0.71 CCSCCCOCCOC 7a_100011216438_100000233755 [0,1,0,0,0,0|2,0,1]=4 2449 B10R0.71 CCSCCNCCCCO 2230a_100000106463_100000210776 [0,1,0,0,0,0|1,0,2]=4 2450 B10R0.71 CCSCCNCCCCO 2230a_100000750430_100000757381 [0,1,0,0,0,0|1,0,2]=4 2451 B10R0.71 CCSCCNCCCCO 34a_100000750430_100000757381 [0,1,0,0,0,0|1,0,2]=4 2452 B10R0.71 CCSCCNCCCOC 2230a_100000106463_100000740836 [0,1,0,0,0,0|2,0,1]=4 2453 B10R0.71 CCSCCNCCCOC 34a_100150723488_100000757381 [0,1,0,0,0,0|2,0,1]=4 2454 B10R0.71 CCSCCOCCCCO 34a_100000212035_100011216708 [0,1,0,0,0,0|1,0,2]=4 2455 B10R0.71 CCSCCOCCCCO 7a_100000212035_100000210776 [0,1,0,0,0,0|1,0,2]=4 2456 B10R0.71 CCSCCOCCCOC 34a_100000212035_100000740836 [0,1,0,0,0,0|2,0,1]=4 2457 B10R0.71 CCSCCOCCCOC 34a_100000740835_100000757381 [0,1,0,0,0,0|2,0,1]=4 2458 B10R0.71 CCSCCOCCCOC 7a_100000212035_100000740836 [0,1,0,0,0,0|2,0,1]=4 2459 B10R0.71 CCSCCSCCCCO 62a_100000210776_100000757381 [0,1,0,0,0,0|1,0,2]=4 2460 B10R0.71 CCSCCSCCCCO 62a_100000757381_100000210776 [0,1,0,0,0,0|1,0,2]=4 2461 B10R0.71 CCSCCSCCCOC 62a_100000709357_100000757381 [0,1,0,0,0,0|2,0,1]=4 2462 B10R0.71 CCSCCSCCCOC 62a_100000757381_100000709357 [0,1,0,0,0,0|2,0,1]=4 2463 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [0,1,0,0,0,0|0,0,2]=3 2464 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [0,1,0,0,0,0|0,0,2]=3 2465 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [0,1,0,0,0,0|0,0,2]=3 2466 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [0,1,0,0,0,0|0,0,2]=3 2467 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [0,1,0,0,0,0|0,0,2]=3 2468 B10R0.71 CNCCCCCOCCF 34a_100000722520_100011217306 [0,1,0,0,0,0|2,0,1]=4 2469 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [0,1,0,0,0,0|1,0,1]=3 2470 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [0,1,0,0,0,0|1,0,2]=4 2471 B10R0.71 CNCCCOCCCOC 34a_100000213112_100000740836 [0,1,0,0,0,0|2,0,1]=4 2472 B10R0.71 CNCCOCCOCCO 2230a_100011998139_200000210301 [0,1,0,0,0,0|2,0,1]=4 2473 B10R0.71 CNCCOCCOCCO 2230a_106832991635_100000032323 [0,1,0,0,0,0|2,0,1]=4 2474 B10R0.71 CNCCOCCOCCO 34a_100000228057_100000211926 [0,1,0,0,0,0|2,0,1]=4 2475 B10R0.71 CNCCOCCOCCO 34a_100011998139_200000210301 [0,1,0,0,0,0|2,0,1]=4 2476 B10R0.71 CNCCOCCOCCO 34a_100102657272_100000032323 [0,1,0,0,0,0|2,0,1]=4 2477 B10R0.71 CNCCOCCOCCO 7a_106832991635_100000032323 [0,1,0,0,0,0|2,0,1]=4 2478 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [0,1,0,0,0,0|1,0,2]=4 2479 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [0,1,0,0,0,0|1,0,2]=4 2480 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [0,1,0,0,0,0|1,0,2]=4 2481 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [0,1,0,0,0,0|1,0,2]=4 2482 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [0,1,0,0,0,0|1,0,2]=4 2483 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [0,1,0,0,0,0|0,0,2]=3 2484 B10R0.71 COCCCCCNCCF 2230a_100000747528_100011217306 [0,1,0,0,0,0|2,0,1]=4 2485 B10R0.71 COCCCCCNCCF 34a_100000747528_100011217306 [0,1,0,0,0,0|2,0,1]=4 2486 B10R0.71 COCCCCCNCCN 34a_103619048469_200000210301 [0,1,0,0,0,0|2,0,1]=4 2487 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [0,1,0,0,0,0|1,0,1]=3 2488 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [0,1,0,0,0,0|1,0,1]=3 2489 B10R0.71 COCCCCNCCCF 2230a_100015189416_100000730899 [0,1,0,0,0,0|2,0,1]=4 2490 B10R0.71 COCCCCNCCCF 34a_100015189416_100000755781 [0,1,0,0,0,0|2,0,1]=4 2491 B10R0.71 COCCCCNCCOC 2230a_100000209980_100000730899 [0,1,0,0,0,0|2,0,1]=4 2492 B10R0.71 COCCCCOCCCBr 34a_100011217188_100000755781 [0,1,0,0,0,0|2,0,1]=4 2493 B10R0.71 COCCCCOCCCCl 34a_100000230001_100000755781 [0,1,0,0,0,0|2,0,1]=4 2494 B10R0.71 COCCCCOCCCF 34a_100000740925_100011934791 [0,1,0,0,0,0|2,0,1]=4 2495 B10R0.71 COCCCCOCCCF 34a_100000759539_100000755781 [0,1,0,0,0,0|2,0,1]=4 2496 B10R0.71 COCCCCOCCCN 34a_100000182051_100000755781 [0,1,0,0,0,0|2,0,1]=4 2497 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [0,1,0,0,0,0|1,0,1]=3 2498 B10R0.71 COCCCCOCCOC 34a_100000210237_100000755781 [0,1,0,0,0,0|2,0,1]=4 2499 B10R0.71 COCCCCOCCOC 34a_100000740925_100011201679 [0,1,0,0,0,0|2,0,1]=4 2500 B10R0.71 COCCCCOCCON 34a_100000700252_100000755781 [0,1,0,0,0,0|2,0,1]=4 2501 B10R0.71 COCCCCSCCCF 62a_100000730899_100011934791 [0,1,0,0,0,0|2,0,1]=4 2502 B10R0.71 COCCCCSCCCF 62a_100011934791_100000730899 [0,1,0,0,0,0|2,0,1]=4 2503 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [0,1,0,0,0,0|1,0,1]=3 2504 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [0,1,0,0,0,0|1,0,1]=3 2505 B10R0.71 COCCCCSCCOC 62a_100000233755_100000730899 [0,1,0,0,0,0|2,0,1]=4 2506 B10R0.71 COCCCCSCCOC 62a_100000730899_100000233755 [0,1,0,0,0,0|2,0,1]=4 2507 B10R0.71 COCCCNCCCCF 34a_100150723488_100000729493 [0,1,0,0,0,0|2,0,1]=4 2508 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [0,1,0,0,0,0|1,0,2]=4 2509 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [0,1,0,0,0,0|1,0,2]=4 2510 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [0,1,0,0,0,0|1,0,2]=4 2511 B10R0.71 COCCCNCCCOC 34a_100150723488_100000740836 [0,1,0,0,0,0|2,0,1]=4 2512 B10R0.71 COCCCNCCCSC 2230a_100000749238_100000740836 [0,1,0,0,0,0|2,0,1]=4 2513 B10R0.71 COCCCOCCCCBr 34a_100011216708_100000740836 [0,1,0,0,0,0|2,0,1]=4 2514 B10R0.71 COCCCOCCCCCl 34a_100000210776_100000740836 [0,1,0,0,0,0|2,0,1]=4 2515 B10R0.71 COCCCOCCCCCl 7a_100000210776_100000740836 [0,1,0,0,0,0|2,0,1]=4 2516 B10R0.71 COCCCOCCCCF 34a_100000740835_100000729493 [0,1,0,0,0,0|2,0,1]=4 2517 B10R0.71 COCCCOCCCCF 34a_100011995726_100000740836 [0,1,0,0,0,0|2,0,1]=4 2518 B10R0.71 COCCCOCCCCF 7a_100011995726_100000740836 [0,1,0,0,0,0|2,0,1]=4 2519 B10R0.71 COCCCOCCCCI 34a_200012148704_100000740836 [0,1,0,0,0,0|2,0,1]=4 2520 B10R0.71 COCCCOCCCCN 34a_100000750430_100000740836 [0,1,0,0,0,0|2,0,1]=4 2521 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [0,1,0,0,0,0|1,0,2]=4 2522 B10R0.71 COCCCOCCCOC 34a_100000740835_100000740836 [0,1,0,0,0,0|2,0,1]=4 2523 B10R0.71 COCCCOCCCOC 34a_200011215475_200000210301 [0,1,0,0,0,0|2,0,1]=4 2524 B10R0.71 COCCCOCCCOC 7a_200011215475_200000210301 [0,1,0,0,0,0|2,0,1]=4 2525 B10R0.71 COCCCOCCCO[13CH3] 34a_200011215475_200025704644 [0,1,0,0,0,0|2,0,1]=4 2526 B10R0.71 COCCCOCCCO[13CH3] 7a_200011215475_200025704644 [0,1,0,0,0,0|2,0,1]=4 2527 B10R0.71 COCCCOCCCSC 34a_100000690336_100000740836 [0,1,0,0,0,0|2,0,1]=4 2528 B10R0.71 COCCCOCCCSC 7a_100000690336_100000740836 [0,1,0,0,0,0|2,0,1]=4 2529 B10R0.71 COCCCSCCCCF 62a_100000709357_100000729493 [0,1,0,0,0,0|2,0,1]=4 2530 B10R0.71 COCCCSCCCCF 62a_100000729493_100000709357 [0,1,0,0,0,0|2,0,1]=4 2531 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [0,1,0,0,0,0|1,0,2]=4 2532 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [0,1,0,0,0,0|1,0,2]=4 2533 B10R0.71 COCCCSCCCOC 62a_100000709357_100000709357 [0,1,0,0,0,0|2,0,1]=4 2534 B10R0.71 COCCNCCCCCF 2230a_100000209980_100000729378 [0,1,0,0,0,0|2,0,1]=4 2535 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [0,1,0,0,0,0|1,0,2]=4 2536 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [0,1,0,0,0,0|1,0,2]=4 2537 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [0,1,0,0,0,0|1,0,2]=4 2538 B10R0.71 COCCNCCOCCO 2230a_100000209980_100011215305 [0,1,0,0,0,0|2,0,1]=4 2539 B10R0.71 COCCNCCOCCO 2230a_100000211614_100011201679 [0,1,0,0,0,0|2,0,1]=4 2540 B10R0.71 COCCNCCOCCO 34a_100000211614_100011201679 [0,1,0,0,0,0|2,0,1]=4 2541 B10R0.71 COCCNCCSCCO 2230a_100011219999_100011201679 [0,1,0,0,0,0|2,0,1]=4 2542 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [0,1,0,0,0,0|2,0,1]=4 2543 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [0,1,0,0,0,0|2,0,1]=4 2544 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [0,1,0,0,0,0|2,0,1]=4 2545 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [0,1,0,0,0,0|2,0,1]=4 2546 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [0,1,0,0,0,0|2,0,1]=4 2547 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [0,1,0,0,0,0|2,0,1]=4 2548 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [0,1,0,0,0,0|2,0,1]=4 2549 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [0,1,0,0,0,0|2,0,1]=4 2550 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [0,1,0,0,0,0|1,0,2]=4 2551 B10R0.71 COCCOCCCCSC 34a_100011217163_100011201679 [0,1,0,0,0,0|2,0,1]=4 2552 B10R0.71 COCCOCCCCSC 7a_100011217163_100000233755 [0,1,0,0,0,0|2,0,1]=4 2553 B10R0.71 COCCOCCNCCO 2230a_100000745349_100000211926 [0,1,0,0,0,0|2,0,1]=4 2554 B10R0.71 COCCOCCNCCO 2230a_100016997473_100000695917 [0,1,0,0,0,0|2,0,1]=4 2555 B10R0.71 COCCOCCNCCO 34a_100000745349_100000211926 [0,1,0,0,0,0|2,0,1]=4 2556 B10R0.71 COCCOCCNCCO 34a_100016990907_100000695917 [0,1,0,0,0,0|2,0,1]=4 2557 B10R0.71 COCCOCCOCCO 34a_100000210237_100000692535 [0,1,0,0,0,0|2,0,1]=4 2558 B10R0.71 COCCOCCOCCO 34a_100011215163_100000211926 [0,1,0,0,0,0|2,0,1]=4 2559 B10R0.71 COCCOCCOCCO 34a_100138415774_100000032323 [0,1,0,0,0,0|2,0,1]=4 2560 B10R0.71 COCCOCCOCCO 7a_100011215163_100000211926 [0,1,0,0,0,0|2,0,1]=4 2561 B10R0.71 COCCOCCSCCO 62a_100000211926_100000695917 [0,1,0,0,0,0|2,0,1]=4 2562 B10R0.71 COCCOCCSCCO 62a_100000695917_100000211926 [0,1,0,0,0,0|2,0,1]=4 2563 B10R0.71 COCCOCSCCCO 62a_100000231047_100011215043 [0,1,0,0,0,0|2,0,1]=4 2564 B10R0.71 COCCOCSCCCO 62a_100011215043_100000231047 [0,1,0,0,0,0|2,0,1]=4 2565 B10R0.71 COCCSCCCCCF 62a_100000233755_100000729378 [0,1,0,0,0,0|2,0,1]=4 2566 B10R0.71 COCCSCCCCCF 62a_100000729378_100000233755 [0,1,0,0,0,0|2,0,1]=4 2567 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [0,1,0,0,0,0|1,0,2]=4 2568 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [0,1,0,0,0,0|1,0,2]=4 2569 B10R0.71 COCCSCCOCCO 62a_100000233755_100011215305 [0,1,0,0,0,0|2,0,1]=4 2570 B10R0.71 COCCSCCOCCO 62a_100011215305_100000233755 [0,1,0,0,0,0|2,0,1]=4 2571 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [0,1,0,0,0,0|1,0,2]=4 2572 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [0,1,0,0,0,0|1,0,2]=4 2573 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [0,1,0,0,0,0|1,0,2]=4 2574 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [0,1,0,0,0,0|0,0,2]=3 2575 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [0,1,0,0,0,0|0,0,2]=3 2576 B10R0.71 CSCCCCOCCCF 34a_100011217163_100011934791 [0,1,0,0,0,0|2,0,1]=4 2577 B10R0.71 CSCCCCOCCCF 7a_100011217163_100011934791 [0,1,0,0,0,0|2,0,1]=4 2578 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [0,1,0,0,0,0|1,0,1]=3 2579 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [0,1,0,0,0,0|1,0,1]=3 2580 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [0,1,0,0,0,0|1,0,2]=4 2581 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [0,1,0,0,0,0|1,0,2]=4 2582 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [0,1,0,0,0,0|1,0,2]=4 2583 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [0,1,0,0,0,0|1,0,2]=4 2584 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [0,1,0,0,0,0|1,0,2]=4 2585 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [0,1,0,0,0,0|1,0,2]=4 2586 B10R0.71 CSCCNCCOCCO 2230a_100000211614_100000751147 [0,1,0,0,0,0|2,0,1]=4 2587 B10R0.71 CSCCNCCOCCO 2230a_100020590264_100011215305 [0,1,0,0,0,0|2,0,1]=4 2588 B10R0.71 CSCCNCCOCCO 34a_100000211614_100000212216 [0,1,0,0,0,0|2,0,1]=4 2589 B10R0.71 CSCCNCCSCCO 2230a_100011219999_100000751147 [0,1,0,0,0,0|2,0,1]=4 2590 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [0,1,0,0,0,0|1,0,2]=4 2591 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [0,1,0,0,0,0|1,0,2]=4 2592 B10R0.71 CSCCOCCOCCO 34a_100000230434_100000692535 [0,1,0,0,0,0|2,0,1]=4 2593 B10R0.71 CSCCOCCOCCO 62a_100000032323_200000210301 [0,1,0,0,0,0|2,0,1]=4 2594 B10R0.71 CSCCOCCOCCO 62a_200000210301_100000032323 [0,1,0,0,0,0|2,0,1]=4 2595 B10R0.71 CSCCOCCOCCO 7a_100000230434_100011215305 [0,1,0,0,0,0|2,0,1]=4 2596 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [0,1,0,0,0,0|1,0,2]=4 2597 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [0,1,0,0,0,0|1,0,2]=4 2598 B10R0.71 CSCCSCCOCCO 62a_100000212216_100011215305 [0,1,0,0,0,0|2,0,1]=4 2599 B10R0.71 CSCCSCCOCCO 62a_100011215305_100000751147 [0,1,0,0,0,0|2,0,1]=4 2600 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [0,1,0,0,0,0|1,0,2]=4 2601 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [0,1,0,0,0,0|1,0,2]=4 2602 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [0,1,0,0,0,0|1,0,2]=4 2603 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [0,1,0,0,0,0|1,0,2]=4 2604 B10R0.71 FCCCCCCNCCF 34a_100000724931_100015922095 [0,1,0,0,0,0|2,0,1]=4 2605 B10R0.71 FCCCCCCOCCBr 34a_100000211926_100015922095 [0,1,0,0,0,0|2,0,1]=4 2606 B10R0.71 FCCCCCCOCCF 34a_100000732779_100011217306 [0,1,0,0,0,0|2,0,1]=4 2607 B10R0.71 FCCCCCCOCCF 7a_100000732779_100011217306 [0,1,0,0,0,0|2,0,1]=4 2608 B10R0.71 FCCCCCCSCCF 62a_100011217306_100015922095 [0,1,0,0,0,0|2,0,1]=4 2609 B10R0.71 FCCCCCCSCCF 62a_100015922095_100011217306 [0,1,0,0,0,0|2,0,1]=4 2610 B10R0.71 FCCCCCNCCCF 2230a_100015189416_100000729378 [0,1,0,0,0,0|2,0,1]=4 2611 B10R0.71 FCCCCCNCCCF 34a_100015189416_100000729378 [0,1,0,0,0,0|2,0,1]=4 2612 B10R0.71 FCCCCCOCCCBr 34a_100011217188_100000729378 [0,1,0,0,0,0|2,0,1]=4 2613 B10R0.71 FCCCCCOCCCCl 34a_100000230001_100000729378 [0,1,0,0,0,0|2,0,1]=4 2614 B10R0.71 FCCCCCOCCCF 34a_100000759539_100000729378 [0,1,0,0,0,0|2,0,1]=4 2615 B10R0.71 FCCCCCSCCCF 62a_100000729378_100011934791 [0,1,0,0,0,0|2,0,1]=4 2616 B10R0.71 FCCCCCSCCCF 62a_100011934791_100000729378 [0,1,0,0,0,0|2,0,1]=4 2617 B10R0.71 FCCCOCCCCCBr 34a_100000746331_100011934791 [0,1,0,0,0,0|2,0,1]=4 2618 B10R0.71 FCCCOCCCCCBr 7a_100000746331_100011934791 [0,1,0,0,0,0|2,0,1]=4 2619 B10R0.71 FCCCOCCCCCCl 34a_100000746330_100011934791 [0,1,0,0,0,0|2,0,1]=4 2620 B10R0.71 FCCCOCCCCCCl 7a_100000746330_100011934791 [0,1,0,0,0,0|2,0,1]=4 2621 B10R0.71 FCCCOCCCCCI 34a_200012148887_100011934791 [0,1,0,0,0,0|2,0,1]=4 2622 B10R0.71 FCCCOCCCCCI 7a_200012148887_100011934791 [0,1,0,0,0,0|2,0,1]=4 2623 B10R0.71 FCCOCCCCCCBr 34a_100011215345_100011217306 [0,1,0,0,0,0|2,0,1]=4 2624 B10R0.71 FCCOCCCCCCBr 7a_100011215345_100011217306 [0,1,0,0,0,0|2,0,1]=4 2625 B10R0.71 FCCOCCCCCCCl 34a_100000766143_100011217306 [0,1,0,0,0,0|2,0,1]=4 2626 B10R0.71 FCCOCCCCCCCl 7a_100000766143_100011217306 [0,1,0,0,0,0|2,0,1]=4 2627 B10R0.71 N#CCCCCCNCCO 2230a_100016997473_100009813376 [0,1,0,0,0,0|1,0,2]=4 2628 B10R0.71 N#CCCCCCSCCO 62a_100000211926_100009813376 [0,1,0,0,0,0|1,0,2]=4 2629 B10R0.71 N#CCCCCCSCCO 62a_100009813376_100000211926 [0,1,0,0,0,0|1,0,2]=4 2630 B10R0.71 N#CCCCCSCCCO 62a_100011215043_100000211819 [0,1,0,0,0,0|1,0,2]=4 2631 B10R0.71 N#CCCCCSCCCO 62a_100011219923_100011215043 [0,1,0,0,0,0|1,0,2]=4 2632 B10R0.71 NCCCCCCOCCF 34a_100000686447_100011217306 [0,1,0,0,0,0|2,0,1]=4 2633 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [0,1,0,0,0,0|1,0,1]=3 2634 B10R0.71 NCCCCCOCCCF 34a_100000762737_100011934791 [0,1,0,0,0,0|2,0,1]=4 2635 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [0,1,0,0,0,0|1,0,1]=3 2636 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [0,1,0,0,0,0|1,0,2]=4 2637 B10R0.71 NCCCOCCCCCF 34a_100000182051_100000729378 [0,1,0,0,0,0|2,0,1]=4 2638 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [0,1,0,0,0,0|1,0,2]=4 2639 B10R0.71 NCCCOCCOCCO 34a_100000182051_100000692535 [0,1,0,0,0,0|2,0,1]=4 2640 B10R0.71 NCCOCCCCCCF 34a_100000210304_100015922095 [0,1,0,0,0,0|2,0,1]=4 2641 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [0,1,0,0,0,0|1,0,2]=4 2642 B10R0.71 NCCOCCOCCCO 34a_100000211614_100000230001 [0,1,0,0,0,0|2,0,1]=4 2643 B10R0.71 NOCCOCCCCCF 34a_100000700252_100000729378 [0,1,0,0,0,0|2,0,1]=4 2644 B10R0.71 NOCCOCCCCCO 34a_100000700252_100000746330 [0,1,0,0,0,0|2,0,1]=4 2645 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [0,1,0,0,0,0|1,0,2]=4 2646 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [0,1,0,0,0,0|1,0,2]=4 2647 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [0,1,0,0,0,0|1,0,2]=4 2648 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [0,1,0,0,0,0|1,0,2]=4 2649 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [0,1,0,0,0,0|1,0,2]=4 2650 B10R0.71 OCCCCC=NNCCO 4a_100000210001_100000031955 [0,1,0,0,0,0|2,0,0]=3 2651 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [0,1,0,0,0,0|1,0,2]=4 2652 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [0,1,0,0,0,0|1,0,2]=4 2653 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [0,1,0,0,0,0|1,0,2]=4 2654 B10R0.71 OCCCCCCNCCF 2230a_100000686447_100011217306 [0,1,0,0,0,0|1,0,2]=4 2655 B10R0.71 OCCCCCCNCCF 34a_100000686447_100011217306 [0,1,0,0,0,0|1,0,2]=4 2656 B10R0.71 OCCCCCCNCCF 34a_100000724931_100000766143 [0,1,0,0,0,0|1,0,2]=4 2657 B10R0.71 OCCCCCCNCCO 2230a_100000686447_100000211926 [0,1,0,0,0,0|1,0,1]=3 2658 B10R0.71 OCCCCCCNCCO 2230a_100016997473_100000766143 [0,1,0,0,0,0|1,0,1]=3 2659 B10R0.71 OCCCCCCNCCO 34a_100000686447_100000211926 [0,1,0,0,0,0|1,0,1]=3 2660 B10R0.71 OCCCCCCNCCO 34a_100016990907_100000766143 [0,1,0,0,0,0|1,0,1]=3 2661 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [0,1,0,0,0,0|1,0,2]=4 2662 B10R0.71 OCCCCCCSCCF 62a_100000766143_100011217306 [0,1,0,0,0,0|1,0,2]=4 2663 B10R0.71 OCCCCCCSCCF 62a_100011217306_100000766143 [0,1,0,0,0,0|1,0,2]=4 2664 B10R0.71 OCCCCCCSCCO 62a_100000211926_100000766143 [0,1,0,0,0,0|1,0,1]=3 2665 B10R0.71 OCCCCCCSCCO 62a_100000766143_100000211926 [0,1,0,0,0,0|1,0,1]=3 2666 B10R0.71 OCCCCCNCCCF 2230a_100000762737_100011934791 [0,1,0,0,0,0|1,0,2]=4 2667 B10R0.71 OCCCCCNCCCF 2230a_100015189416_100000746330 [0,1,0,0,0,0|1,0,2]=4 2668 B10R0.71 OCCCCCNCCCF 34a_100000762737_100011934791 [0,1,0,0,0,0|1,0,2]=4 2669 B10R0.71 OCCCCCNCCCF 34a_100015189416_100000746330 [0,1,0,0,0,0|1,0,2]=4 2670 B10R0.71 OCCCCCNCCCO 2230a_100000762737_100000230001 [0,1,0,0,0,0|1,0,1]=3 2671 B10R0.71 OCCCCCNCCCO 34a_100000762737_100000230001 [0,1,0,0,0,0|1,0,1]=3 2672 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [0,1,0,0,0,0|1,0,2]=4 2673 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [0,1,0,0,0,0|1,0,2]=4 2674 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [0,1,0,0,0,0|1,0,2]=4 2675 B10R0.71 OCCCCCSCCCF 62a_100000746330_100011934791 [0,1,0,0,0,0|1,0,2]=4 2676 B10R0.71 OCCCCCSCCCF 62a_100011934791_100000746330 [0,1,0,0,0,0|1,0,2]=4 2677 B10R0.71 OCCCCCSCCCO 62a_100000746330_100011215043 [0,1,0,0,0,0|1,0,1]=3 2678 B10R0.71 OCCCCCSCCCO 62a_100011215043_100000746330 [0,1,0,0,0,0|1,0,1]=3 2679 B10R0.71 OCCCCNCCCCF 2230a_100000750430_100000729493 [0,1,0,0,0,0|1,0,2]=4 2680 B10R0.71 OCCCCNCCCCF 34a_100000750430_100000729493 [0,1,0,0,0,0|1,0,2]=4 2681 B10R0.71 OCCCCNCCCCO 2230a_100000750430_100000210776 [0,1,0,0,0,0|1,0,2]=4 2682 B10R0.71 OCCCCNCCCCO 34a_100000750430_100011216708 [0,1,0,0,0,0|1,0,2]=4 2683 B10R0.71 OCCCCOCCCCBr 34a_100011216708_100011216708 [0,1,0,0,0,0|1,0,2]=4 2684 B10R0.71 OCCCCOCCCCCl 34a_100000210776_100011216708 [0,1,0,0,0,0|1,0,2]=4 2685 B10R0.71 OCCCCOCCCCCl 7a_100000210776_100000210776 [0,1,0,0,0,0|1,0,2]=4 2686 B10R0.71 OCCCCOCCCCF 34a_100011995726_100011216708 [0,1,0,0,0,0|1,0,2]=4 2687 B10R0.71 OCCCCOCCCCF 7a_100011995726_100000210776 [0,1,0,0,0,0|1,0,2]=4 2688 B10R0.71 OCCCCOCCCCI 34a_200012148704_100011216708 [0,1,0,0,0,0|1,0,2]=4 2689 B10R0.71 OCCCCSCCCCF 62a_100000210776_100000729493 [0,1,0,0,0,0|1,0,2]=4 2690 B10R0.71 OCCCCSCCCCF 62a_100000729493_100000210776 [0,1,0,0,0,0|1,0,2]=4 2691 B10R0.71 OCCCCSCCCCO 62a_100000210776_100000210776 [0,1,0,0,0,0|1,0,2]=4 2692 B10R0.71 OCCCNCCOCCO 2230a_100000211614_100000230001 [0,1,0,0,0,0|2,0,1]=4 2693 B10R0.71 OCCCNCCOCCO 34a_100000211614_100000230001 [0,1,0,0,0,0|2,0,1]=4 2694 B10R0.71 OCCCNCCSCCO 2230a_100011219999_100000230001 [0,1,0,0,0,0|2,0,1]=4 2695 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [0,1,0,0,0,0|1,0,1]=3 2696 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [0,1,0,0,0,0|1,0,1]=3 2697 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [0,1,0,0,0,0|1,0,1]=3 2698 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [0,1,0,0,0,0|1,0,1]=3 2699 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [0,1,0,0,0,0|1,0,1]=3 2700 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [0,1,0,0,0,0|1,0,1]=3 2701 B10R0.71 OCCCOCCCNCF 34a_100011310245_100015361967 [0,1,0,0,0,0|2,0,1]=4 2702 B10R0.71 OCCCOCCOCCBr 34a_100000692535_100000230001 [0,1,0,0,0,0|2,0,1]=4 2703 B10R0.71 OCCCOCCOCCBr 7a_100000692535_100011215043 [0,1,0,0,0,0|2,0,1]=4 2704 B10R0.71 OCCCOCCOCCCl 34a_100011215305_100000230001 [0,1,0,0,0,0|2,0,1]=4 2705 B10R0.71 OCCCOCCOCCCl 7a_100011215305_100011215043 [0,1,0,0,0,0|2,0,1]=4 2706 B10R0.71 OCCCOCCOCCF 34a_200015357709_100000230001 [0,1,0,0,0,0|2,0,1]=4 2707 B10R0.71 OCCCOCCOCCF 7a_200015357709_100011215043 [0,1,0,0,0,0|2,0,1]=4 2708 B10R0.71 OCCCOCCOCCI 34a_100012149058_100000230001 [0,1,0,0,0,0|2,0,1]=4 2709 B10R0.71 OCCCOCCOCCI 7a_100012149058_100011215043 [0,1,0,0,0,0|2,0,1]=4 2710 B10R0.71 OCCCSCCCCCF 62a_100000729378_100011215043 [0,1,0,0,0,0|1,0,1]=3 2711 B10R0.71 OCCCSCCCCCF 62a_100011215043_100000729378 [0,1,0,0,0,0|1,0,1]=3 2712 B10R0.71 OCCCSCCOCCO 62a_100011215043_100011215305 [0,1,0,0,0,0|2,0,1]=4 2713 B10R0.71 OCCCSCCOCCO 62a_100011215305_100011215043 [0,1,0,0,0,0|2,0,1]=4 2714 B10R0.71 OCCNCCCCCCF 2230a_100016997473_100015922095 [0,1,0,0,0,0|1,0,1]=3 2715 B10R0.71 OCCNCCCCCCF 34a_100016990907_100015922095 [0,1,0,0,0,0|1,0,1]=3 2716 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [0,1,0,0,0,0|1,0,1]=3 2717 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [0,1,0,0,0,0|1,0,1]=3 2718 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [0,1,0,0,0,0|1,0,1]=3 2719 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [0,1,0,0,0,0|1,0,1]=3 2720 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [0,1,0,0,0,0|1,0,1]=3 2721 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [0,1,0,0,0,0|1,0,1]=3 2722 B10R0.71 OCCOCCNCCCF 2230a_100000211614_100011934791 [0,1,0,0,0,0|2,0,1]=4 2723 B10R0.71 OCCOCCNCCCF 2230a_100015189416_100011215305 [0,1,0,0,0,0|2,0,1]=4 2724 B10R0.71 OCCOCCNCCCF 34a_100000211614_100011934791 [0,1,0,0,0,0|2,0,1]=4 2725 B10R0.71 OCCOCCNCCCF 34a_100015189416_100000692535 [0,1,0,0,0,0|2,0,1]=4 2726 B10R0.71 OCCOCCOCCCBr 34a_100011217188_100000692535 [0,1,0,0,0,0|2,0,1]=4 2727 B10R0.71 OCCOCCOCCCCl 34a_100000230001_100000692535 [0,1,0,0,0,0|2,0,1]=4 2728 B10R0.71 OCCOCCOCCCF 34a_100000759539_100000692535 [0,1,0,0,0,0|2,0,1]=4 2729 B10R0.71 OCCOCCSCCCF 62a_100011215305_100011934791 [0,1,0,0,0,0|2,0,1]=4 2730 B10R0.71 OCCOCCSCCCF 62a_100011934791_100011215305 [0,1,0,0,0,0|2,0,1]=4 2731 B10R0.71 OCCSCCCCCCF 62a_100000211926_100015922095 [0,1,0,0,0,0|1,0,1]=3 2732 B10R0.71 OCCSCCCCCCF 62a_100015922095_100000211926 [0,1,0,0,0,0|1,0,1]=3 2733 B10R0.71 OCCSCCNCCCF 2230a_100011219999_100011934791 [0,1,0,0,0,0|2,0,1]=4 2734 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [0,1,0,0,0,0|0,0,2]=3 2735 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [0,1,0,0,0,0|0,0,2]=3 2736 B10R0.71 [13CH3]NCCOCCOCCO 2230a_100011998139_200025704644 [0,1,0,0,0,0|2,0,1]=4 2737 B10R0.71 [13CH3]NCCOCCOCCO 34a_100011998139_200025704644 [0,1,0,0,0,0|2,0,1]=4 2738 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [0,1,0,0,0,0|1,0,2]=4 2739 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [0,1,0,0,0,0|1,0,2]=4 2740 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [0,1,0,0,0,0|1,0,2]=4 2741 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [0,1,0,0,0,0|1,0,2]=4 2742 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [0,1,0,0,0,0|1,0,2]=4 2743 B10R0.71 [13CH3]OCCCCCNCCN 34a_103619048469_200025704644 [0,1,0,0,0,0|2,0,1]=4 2744 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [0,1,0,0,0,0|0,0,2]=3 2745 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [0,1,0,0,0,0|0,0,2]=3 2746 B10R0.71 [13CH3]SCCOCCOCCO 62a_100000032323_200025704644 [0,1,0,0,0,0|2,0,1]=4 2747 B10R0.71 [13CH3]SCCOCCOCCO 62a_200025704644_100000032323 [0,1,0,0,0,0|2,0,1]=4 2748 B10R0.74 CC(CO)CCNCCCO 2230a_106354213184_100000230001 [0,1,0,0,0,0|2,0,1]=4 2749 B10R0.74 CC(CO)CCNCCCO 34a_106354213184_100000230001 [0,1,0,0,0,0|2,0,1]=4 2750 B10R0.74 CC(CO)CNCCCCF 34a_100000744482_100000729493 [0,1,0,0,0,0|2,0,1]=4 2751 B10R0.74 CC(CO)CNCCCCO 34a_100000744482_100011216708 [0,1,0,0,0,0|2,0,1]=4 2752 B10R0.74 CC(CO)NCCCCCO 2230a_100000762737_100012180447 [0,1,0,0,0,0|2,0,1]=4 2753 B10R0.74 CC(CO)NCCCCCO 34a_100000762737_100012180447 [0,1,0,0,0,0|2,0,1]=4 2754 B10R0.74 CC(CO)OCCCCCBr 34a_100000746331_100012180447 [0,1,0,0,0,0|2,0,1]=4 2755 B10R0.74 CC(CO)OCCCCCBr 7a_100000746331_100012180447 [0,1,0,0,0,0|2,0,1]=4 2756 B10R0.74 CC(CO)OCCCCCCl 34a_100000746330_100012180447 [0,1,0,0,0,0|2,0,1]=4 2757 B10R0.74 CC(CO)OCCCCCCl 7a_100000746330_100012180447 [0,1,0,0,0,0|2,0,1]=4 2758 B10R0.74 CC(CO)OCCCCCI 34a_200012148887_100012180447 [0,1,0,0,0,0|2,0,1]=4 2759 B10R0.74 CC(CO)OCCCCCI 7a_200012148887_100012180447 [0,1,0,0,0,0|2,0,1]=4 2760 B10R0.74 CC(CO)OCCCCCN 34a_100000762737_100012180447 [0,1,0,0,0,0|2,0,1]=4 2761 B10R0.74 CC(CO)SCCCCCF 62a_100012180447_100000729378 [0,1,0,0,0,0|2,0,1]=4 2762 B10R0.74 CC(CO)SCCCCCO 62a_100012180447_100000746330 [0,1,0,0,0,0|2,0,1]=4 2763 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,1,0,0,0,0|0,0,3]=4 2764 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,1,0,0,0,0|0,0,3]=4 2765 B10R0.74 CCC(C)CCCOCCF 7a_100011216074_100011217306 [0,1,0,0,0,0|2,0,1]=4 2766 B10R0.74 CCC(C)CCCOCCO 7a_100011216074_100000211926 [0,1,0,0,0,0|1,0,1]=3 2767 B10R0.74 CCC(C)CCNCCCF 2230a_100020591266_100011934791 [0,1,0,0,0,0|2,0,1]=4 2768 B10R0.74 CCC(C)CCNCCCO 2230a_100020591266_100000230001 [0,1,0,0,0,0|1,0,1]=3 2769 B10R0.74 CCC(C)CCOCCCF 7a_100011215188_100011934791 [0,1,0,0,0,0|2,0,1]=4 2770 B10R0.74 CCC(C)CCOCCCO 7a_100011215188_100011215043 [0,1,0,0,0,0|1,0,1]=3 2771 B10R0.74 CCC(C)CNCCCCO 2230a_100000750430_100000748023 [0,1,0,0,0,0|1,0,2]=4 2772 B10R0.74 CCC(C)CNCCCCO 2230a_100020588543_100000210776 [0,1,0,0,0,0|1,0,2]=4 2773 B10R0.74 CCC(C)CNCCCCO 270004a_100000750430_100000243153 [0,1,0,0,0,0|1,0,2]=4 2774 B10R0.74 CCC(C)CNCCCCO 34a_100000750430_100000748023 [0,1,0,0,0,0|1,0,2]=4 2775 B10R0.74 CCC(C)CSCCCCO 62a_100000210776_100000748023 [0,1,0,0,0,0|1,0,2]=4 2776 B10R0.74 CCC(C)CSCCCCO 62a_100000748023_100000210776 [0,1,0,0,0,0|1,0,2]=4 2777 B10R0.74 CCC(C)NCCCCCO 2230a_100000209981_100000746330 [0,1,0,0,0,0|1,0,2]=4 2778 B10R0.74 CCC(C)NCCCCCO 2230a_100000762737_100000758301 [0,1,0,0,0,0|1,0,2]=4 2779 B10R0.74 CCC(C)NCCCCCO 34a_100000762737_100011215416 [0,1,0,0,0,0|1,0,2]=4 2780 B10R0.74 CCC(C)NCCOCCO 2230a_100000209981_100011215305 [0,1,0,0,0,0|2,0,1]=4 2781 B10R0.74 CCC(C)NCCOCCO 2230a_100000211614_100000758301 [0,1,0,0,0,0|2,0,1]=4 2782 B10R0.74 CCC(C)NCCOCCO 34a_100000211614_100011215416 [0,1,0,0,0,0|2,0,1]=4 2783 B10R0.74 CCC(C)NCCSCCO 2230a_100011219999_100000758301 [0,1,0,0,0,0|2,0,1]=4 2784 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [0,1,0,0,0,0|1,0,2]=4 2785 B10R0.74 CCC(C)OCCOCCO 7a_100000210228_100011215305 [0,1,0,0,0,0|2,0,1]=4 2786 B10R0.74 CCC(C)SCCCCCO 62a_100000746330_100000758301 [0,1,0,0,0,0|1,0,2]=4 2787 B10R0.74 CCC(C)SCCCCCO 62a_100000758301_100000746330 [0,1,0,0,0,0|1,0,2]=4 2788 B10R0.74 CCC(C)SCCOCCO 62a_100000758301_100011215305 [0,1,0,0,0,0|2,0,1]=4 2789 B10R0.74 CCC(C)SCCOCCO 62a_100011215305_100000758301 [0,1,0,0,0,0|2,0,1]=4 2790 B10R0.74 CCC(O)CNCCCCO 2230a_100000750430_100011218378 [0,1,0,0,0,0|1,0,2]=4 2791 B10R0.74 CCC(O)CNCCCCO 2230a_100011218483_100000210776 [0,1,0,0,0,0|1,0,2]=4 2792 B10R0.74 CCC(O)CNCCCCO 34a_100000750430_100011218378 [0,1,0,0,0,0|1,0,2]=4 2793 B10R0.74 CCC(O)CSCCCCO 62a_100000210776_100011218378 [0,1,0,0,0,0|1,0,2]=4 2794 B10R0.74 CCC(O)CSCCCCO 62a_100011218378_100000210776 [0,1,0,0,0,0|1,0,2]=4 2795 B10R0.74 CCC/C=C/COC(C)CC 34a_100016278788_100011215416 [0,1,0,0,0,0|2,0,0]=3 2796 B10R0.74 CCC/C=C/COC(C)CC 7a_100016278788_100000758301 [0,1,0,0,0,0|2,0,0]=3 2797 B10R0.74 CCC/C=C/COC(C)CO 34a_100016278788_100012180447 [0,1,0,0,0,0|3,0,0]=4 2798 B10R0.74 CCC/C=C/COC(C)CO 7a_100016278788_100012180447 [0,1,0,0,0,0|3,0,0]=4 2799 B10R0.74 CCCC=NNCC(O)CC 4a_100015206393_100000185831 [0,1,0,0,0,0|3,0,0]=4 2800 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,1,0,0,0,0|1,0,1]=3 2801 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [0,1,0,0,0,0|1,0,1]=3 2802 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [0,1,0,0,0,0|2,0,1]=4 2803 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [0,1,0,0,0,0|2,0,1]=4 2804 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [0,1,0,0,0,0|2,0,1]=4 2805 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,1,0,0,0,0|0,0,3]=4 2806 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,1,0,0,0,0|1,0,2]=4 2807 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,1,0,0,0,0|1,0,2]=4 2808 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [0,1,0,0,0,0|2,0,1]=4 2809 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [0,1,0,0,0,0|2,0,1]=4 2810 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [0,1,0,0,0,0|1,0,1]=3 2811 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [0,1,0,0,0,0|1,0,1]=3 2812 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [0,1,0,0,0,0|2,0,1]=4 2813 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [0,1,0,0,0,0|2,0,1]=4 2814 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [0,1,0,0,0,0|2,0,1]=4 2815 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [0,1,0,0,0,0|2,0,1]=4 2816 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [0,1,0,0,0,0|2,0,1]=4 2817 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [0,1,0,0,0,0|2,0,1]=4 2818 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [0,1,0,0,0,0|1,0,1]=3 2819 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [0,1,0,0,0,0|1,0,1]=3 2820 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [0,1,0,0,0,0|2,0,1]=4 2821 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [0,1,0,0,0,0|2,0,1]=4 2822 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [0,1,0,0,0,0|1,0,1]=3 2823 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [0,1,0,0,0,0|1,0,1]=3 2824 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [0,1,0,0,0,0|1,0,1]=3 2825 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [0,1,0,0,0,0|2,0,1]=4 2826 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [0,1,0,0,0,0|2,0,1]=4 2827 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [0,1,0,0,0,0|2,0,1]=4 2828 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [0,1,0,0,0,0|1,0,1]=3 2829 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [0,1,0,0,0,0|2,0,1]=4 2830 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [0,1,0,0,0,0|2,0,1]=4 2831 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [0,1,0,0,0,0|1,0,1]=3 2832 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [0,1,0,0,0,0|2,0,1]=4 2833 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [0,1,0,0,0,0|1,0,1]=3 2834 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [0,1,0,0,0,0|1,0,1]=3 2835 B10R0.74 CCCCCNC[C@@H](O)CF 2230a_100000209983_100015614560 [0,1,0,0,0,0|2,0,1]=4 2836 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [0,1,0,0,0,0|1,0,1]=3 2837 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [0,1,0,0,0,0|1,0,1]=3 2838 B10R0.74 CCCCCNN=C(C)CO 4a_100000694160_100000211253 [0,1,0,0,0,0|2,0,1]=4 2839 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,1,0,0,0,0|2,0,1]=4 2840 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [0,1,0,0,0,0|2,0,1]=4 2841 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [0,1,0,0,0,0|2,0,1]=4 2842 B10R0.74 CCCCCOCC(C)CN 34a_100000744482_100000718602 [0,1,0,0,0,0|2,0,1]=4 2843 B10R0.74 CCCCCOCC(Cl)CCl 34a_100000033668_100000718602 [0,1,0,0,0,0|2,0,1]=4 2844 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [0,1,0,0,0,0|2,0,1]=4 2845 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [0,1,0,0,0,0|2,0,1]=4 2846 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [0,1,0,0,0,0|1,0,1]=3 2847 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [0,1,0,0,0,0|1,0,1]=3 2848 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [0,1,0,0,0,0|2,0,1]=4 2849 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [0,1,0,0,0,0|2,0,1]=4 2850 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [0,1,0,0,0,0|2,0,1]=4 2851 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [0,1,0,0,0,0|1,0,1]=3 2852 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [0,1,0,0,0,0|1,0,1]=3 2853 B10R0.74 CCCCCOC[C@@H](O)CF 34a_100000210253_100015614560 [0,1,0,0,0,0|2,0,1]=4 2854 B10R0.74 CCCCCOC[C@@H](O)CF 7a_100000210253_100015614560 [0,1,0,0,0,0|2,0,1]=4 2855 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [0,1,0,0,0,0|1,0,1]=3 2856 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [0,1,0,0,0,0|1,0,1]=3 2857 B10R0.74 CCCCCOC[C@H](F)CN 34a_100015665980_100000718602 [0,1,0,0,0,0|2,0,1]=4 2858 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [0,1,0,0,0,0|2,0,1]=4 2859 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [0,1,0,0,0,0|2,0,1]=4 2860 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [0,1,0,0,0,0|2,0,1]=4 2861 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [0,1,0,0,0,0|2,0,1]=4 2862 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [0,1,0,0,0,0|1,0,1]=3 2863 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [0,1,0,0,0,0|1,0,1]=3 2864 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [0,1,0,0,0,0|2,0,1]=4 2865 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [0,1,0,0,0,0|2,0,1]=4 2866 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [0,1,0,0,0,0|1,0,1]=3 2867 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [0,1,0,0,0,0|1,0,1]=3 2868 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100000210326_100015614560 [0,1,0,0,0,0|2,0,1]=4 2869 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100015614560_100000210326 [0,1,0,0,0,0|2,0,1]=4 2870 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [0,1,0,0,0,0|1,0,1]=3 2871 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [0,1,0,0,0,0|1,0,1]=3 2872 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [0,1,0,0,0,0|2,0,1]=4 2873 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [0,1,0,0,0,0|1,0,2]=4 2874 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [0,1,0,0,0,0|1,0,2]=4 2875 B10R0.74 CCCCNN=CC(C)CC 4a_100025702795_100000243153 [0,1,0,0,0,0|3,0,0]=4 2876 B10R0.74 CCCCNN=CC(O)CO 4a_100025702795_100000033539 [0,1,0,0,0,0|2,0,0]=3 2877 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [0,1,0,0,0,0|2,0,1]=4 2878 B10R0.74 CCCCOCN[C@H](C)CO 2230a_100000737577_100011995733 [0,1,0,0,0,0|2,0,1]=4 2879 B10R0.74 CCCCOCSC(C)CO 62a_100012180447_100011995733 [0,1,0,0,0,0|2,0,1]=4 2880 B10R0.74 CCCCOCS[C@H](C)CO 62a_100011995733_100016084084 [0,1,0,0,0,0|2,0,1]=4 2881 B10R0.74 CCCCOCS[C@H](C)CO 62a_100016084084_100011995733 [0,1,0,0,0,0|2,0,1]=4 2882 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [0,1,0,0,0,0|2,0,1]=4 2883 B10R0.74 CCCOCCNC(C)CO 2230a_100161115042_100012180447 [0,1,0,0,0,0|2,0,1]=4 2884 B10R0.74 CCCOCCNC(C)CO 34a_100161115042_100012180447 [0,1,0,0,0,0|2,0,1]=4 2885 B10R0.74 CCCOCCN[C@H](C)CO 2230a_100000737577_100011215938 [0,1,0,0,0,0|2,0,1]=4 2886 B10R0.74 CCCOCCOC(C)CO 34a_100000752267_100012180447 [0,1,0,0,0,0|2,0,1]=4 2887 B10R0.74 CCCOCCOC(C)CO 7a_100000752267_100012180447 [0,1,0,0,0,0|2,0,1]=4 2888 B10R0.74 CCCOCCSC(C)CO 62a_100012180447_100011215938 [0,1,0,0,0,0|2,0,1]=4 2889 B10R0.74 CCCOCCS[C@H](C)CO 62a_100011215938_100016084084 [0,1,0,0,0,0|2,0,1]=4 2890 B10R0.74 CCCOCCS[C@H](C)CO 62a_100016084084_100011215938 [0,1,0,0,0,0|2,0,1]=4 2891 B10R0.74 CCCSCCNC(C)CO 2230a_100020603323_100012180447 [0,1,0,0,0,0|2,0,1]=4 2892 B10R0.74 CCCSCCOC(C)CO 34a_200000230433_100012180447 [0,1,0,0,0,0|2,0,1]=4 2893 B10R0.74 CCCSCCOC(C)CO 7a_200000230433_100012180447 [0,1,0,0,0,0|2,0,1]=4 2894 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [0,1,0,0,0,0|1,0,2]=4 2895 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [0,1,0,0,0,0|1,0,2]=4 2896 B10R0.74 CCN(C)CCCNCCO 2230a_100016997473_100015186262 [0,1,0,0,0,0|2,0,1]=4 2897 B10R0.74 CCN(C)CCCSCCO 62a_100000211926_100015186262 [0,1,0,0,0,0|2,0,1]=4 2898 B10R0.74 CCOCCCNC(C)CO 2230a_100000210961_100012180447 [0,1,0,0,0,0|2,0,1]=4 2899 B10R0.74 CCOCCCNC(C)CO 34a_100000210961_100012180447 [0,1,0,0,0,0|2,0,1]=4 2900 B10R0.74 CCOCCCN[C@H](C)CO 2230a_100000737577_100012232248 [0,1,0,0,0,0|2,0,1]=4 2901 B10R0.74 CCOCCCOC(C)CO 34a_100000757476_100012180447 [0,1,0,0,0,0|2,0,1]=4 2902 B10R0.74 CCOCCCOC(C)CO 7a_100000757476_100012180447 [0,1,0,0,0,0|2,0,1]=4 2903 B10R0.74 CCOCCCSC(C)CO 62a_100012180447_100012232248 [0,1,0,0,0,0|2,0,1]=4 2904 B10R0.74 CCOCCCS[C@H](C)CO 62a_100012232248_100016084084 [0,1,0,0,0,0|2,0,1]=4 2905 B10R0.74 CCOCCCS[C@H](C)CO 62a_100016084084_100012232248 [0,1,0,0,0,0|2,0,1]=4 2906 B10R0.74 CCOCCNCC(C)CO 34a_100000744482_100000210147 [0,1,0,0,0,0|2,0,1]=4 2907 B10R0.74 CCOCCNCC(O)CO 2230a_102516460346_100011219619 [0,1,0,0,0,0|2,0,1]=4 2908 B10R0.74 CCOCCNCC(O)CO 34a_102516460346_100011219619 [0,1,0,0,0,0|2,0,1]=4 2909 B10R0.74 CCOCCNC[C@@H](C)CO 2230a_102516460346_100000059175 [0,1,0,0,0,0|2,0,1]=4 2910 B10R0.74 CCOCCNC[C@@H](C)CO 34a_102516460346_100000059175 [0,1,0,0,0,0|2,0,1]=4 2911 B10R0.74 CCOCCNC[C@@H](F)CO 34a_100015665980_100000210147 [0,1,0,0,0,0|2,0,1]=4 2912 B10R0.74 CCOCCNC[C@@H](O)CO 2230a_102516460346_100009815848 [0,1,0,0,0,0|2,0,1]=4 2913 B10R0.74 CCOCCNC[C@@H](O)CO 34a_102516460346_100009815848 [0,1,0,0,0,0|2,0,1]=4 2914 B10R0.74 CCOCCNC[C@H](O)CO 2230a_100020644852_100011215890 [0,1,0,0,0,0|2,0,1]=4 2915 B10R0.74 CCOCCOCC(O)CO 34a_100000210136_100011219619 [0,1,0,0,0,0|2,0,1]=4 2916 B10R0.74 CCOCCOCC(O)CO 7a_100000210136_100011219619 [0,1,0,0,0,0|2,0,1]=4 2917 B10R0.74 CCOCCOC[C@@H](C)CO 34a_100000210136_100000059175 [0,1,0,0,0,0|2,0,1]=4 2918 B10R0.74 CCOCCOC[C@@H](C)CO 7a_100000210136_100000059175 [0,1,0,0,0,0|2,0,1]=4 2919 B10R0.74 CCOCCOC[C@@H](O)CO 34a_100000210136_100009815848 [0,1,0,0,0,0|2,0,1]=4 2920 B10R0.74 CCOCCOC[C@@H](O)CO 7a_100000210136_100009815848 [0,1,0,0,0,0|2,0,1]=4 2921 B10R0.74 CCOCCSCC(O)CO 62a_100000210147_100011219619 [0,1,0,0,0,0|2,0,1]=4 2922 B10R0.74 CCOCCSCC(O)CO 62a_100011219619_100011215890 [0,1,0,0,0,0|2,0,1]=4 2923 B10R0.74 CCOCCSC[C@@H](C)CO 62a_100000059175_100011215890 [0,1,0,0,0,0|2,0,1]=4 2924 B10R0.74 CCOCCSC[C@@H](C)CO 62a_100000210147_100000059175 [0,1,0,0,0,0|2,0,1]=4 2925 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100000210147_100009815848 [0,1,0,0,0,0|2,0,1]=4 2926 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100009815848_100011215890 [0,1,0,0,0,0|2,0,1]=4 2927 B10R0.74 CCSCCCOC(C)CO 34a_100011216438_100012180447 [0,1,0,0,0,0|2,0,1]=4 2928 B10R0.74 CCSCCCOC(C)CO 7a_100011216438_100012180447 [0,1,0,0,0,0|2,0,1]=4 2929 B10R0.74 CCSCCNCC(C)CO 34a_100000744482_100000757381 [0,1,0,0,0,0|2,0,1]=4 2930 B10R0.74 CCSCCNCC(O)CO 2230a_100000106463_100011219619 [0,1,0,0,0,0|2,0,1]=4 2931 B10R0.74 CCSCCNC[C@@H](C)CO 2230a_100000106463_100000059175 [0,1,0,0,0,0|2,0,1]=4 2932 B10R0.74 CCSCCNC[C@@H](F)CO 34a_100015665980_100000757381 [0,1,0,0,0,0|2,0,1]=4 2933 B10R0.74 CCSCCNC[C@@H](O)CO 2230a_100000106463_100009815848 [0,1,0,0,0,0|2,0,1]=4 2934 B10R0.74 CCSCCNC[C@H](O)CO 2230a_100020644852_100000757381 [0,1,0,0,0,0|2,0,1]=4 2935 B10R0.74 CCSCCOCC(O)CO 34a_100000212035_100011219619 [0,1,0,0,0,0|2,0,1]=4 2936 B10R0.74 CCSCCOCC(O)CO 7a_100000212035_100011219619 [0,1,0,0,0,0|2,0,1]=4 2937 B10R0.74 CCSCCOC[C@@H](C)CO 34a_100000212035_100000059175 [0,1,0,0,0,0|2,0,1]=4 2938 B10R0.74 CCSCCOC[C@@H](C)CO 7a_100000212035_100000059175 [0,1,0,0,0,0|2,0,1]=4 2939 B10R0.74 CCSCCOC[C@@H](O)CO 34a_100000212035_100009815848 [0,1,0,0,0,0|2,0,1]=4 2940 B10R0.74 CCSCCOC[C@@H](O)CO 7a_100000212035_100009815848 [0,1,0,0,0,0|2,0,1]=4 2941 B10R0.74 CCSCCSCC(O)CO 62a_100000757381_100011219619 [0,1,0,0,0,0|2,0,1]=4 2942 B10R0.74 CCSCCSCC(O)CO 62a_100011219619_100000757381 [0,1,0,0,0,0|2,0,1]=4 2943 B10R0.74 CCSCCSC[C@@H](C)CO 62a_100000059175_100000757381 [0,1,0,0,0,0|2,0,1]=4 2944 B10R0.74 CCSCCSC[C@@H](C)CO 62a_100000757381_100000059175 [0,1,0,0,0,0|2,0,1]=4 2945 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100000757381_100009815848 [0,1,0,0,0,0|2,0,1]=4 2946 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100009815848_100000757381 [0,1,0,0,0,0|2,0,1]=4 2947 B10R0.74 CC[C@H](C)CNCCCCO 2230a_100000750430_100009816398 [0,1,0,0,0,0|1,0,2]=4 2948 B10R0.74 CC[C@H](C)CNCCCCO 34a_100000750430_100009816398 [0,1,0,0,0,0|1,0,2]=4 2949 B10R0.74 CC[C@H](C)COCCCCO 7a_100009816381_100000210776 [0,1,0,0,0,0|1,0,2]=4 2950 B10R0.74 CC[C@H](C)CSCCCCO 62a_100000210776_100009816398 [0,1,0,0,0,0|1,0,2]=4 2951 B10R0.74 CC[C@H](C)CSCCCCO 62a_100009816398_100000210776 [0,1,0,0,0,0|1,0,2]=4 2952 B10R0.74 CNCCCOCC(O)CO 34a_100000213112_100011219619 [0,1,0,0,0,0|2,0,1]=4 2953 B10R0.74 CNCCCOC[C@@H](C)CO 34a_100000213112_100000059175 [0,1,0,0,0,0|2,0,1]=4 2954 B10R0.74 CNCCCOC[C@@H](O)CO 34a_100000213112_100009815848 [0,1,0,0,0,0|2,0,1]=4 2955 B10R0.74 COC(C)CCOCCCO 7a_100000764861_100011215043 [0,1,0,0,0,0|2,0,1]=4 2956 B10R0.74 COCCCCN[C@H](C)CO 2230a_100000737577_100000730899 [0,1,0,0,0,0|2,0,1]=4 2957 B10R0.74 COCCCCOC(C)CO 34a_100000740925_100012180447 [0,1,0,0,0,0|2,0,1]=4 2958 B10R0.74 COCCCCSC(C)CO 62a_100012180447_100000730899 [0,1,0,0,0,0|2,0,1]=4 2959 B10R0.74 COCCCCS[C@H](C)CO 62a_100000730899_100016084084 [0,1,0,0,0,0|2,0,1]=4 2960 B10R0.74 COCCCCS[C@H](C)CO 62a_100016084084_100000730899 [0,1,0,0,0,0|2,0,1]=4 2961 B10R0.74 COCCCNCC(C)CO 34a_100000744482_100000740836 [0,1,0,0,0,0|2,0,1]=4 2962 B10R0.74 COCCCNCC(O)CO 34a_100150723488_100011219619 [0,1,0,0,0,0|2,0,1]=4 2963 B10R0.74 COCCCNC[C@@H](C)CO 34a_100150723488_100000059175 [0,1,0,0,0,0|2,0,1]=4 2964 B10R0.74 COCCCNC[C@@H](F)CO 34a_100015665980_100000740836 [0,1,0,0,0,0|2,0,1]=4 2965 B10R0.74 COCCCNC[C@@H](O)CO 34a_100150723488_100009815848 [0,1,0,0,0,0|2,0,1]=4 2966 B10R0.74 COCCCNC[C@H](O)CO 2230a_100020644852_100000740836 [0,1,0,0,0,0|2,0,1]=4 2967 B10R0.74 COCCCOCC(O)CO 34a_100000740835_100011219619 [0,1,0,0,0,0|2,0,1]=4 2968 B10R0.74 COCCCOC[C@@H](C)CO 34a_100000740835_100000059175 [0,1,0,0,0,0|2,0,1]=4 2969 B10R0.74 COCCCOC[C@@H](O)CO 34a_100000740835_100009815848 [0,1,0,0,0,0|2,0,1]=4 2970 B10R0.74 COCCCSCC(O)CO 62a_100000709357_100011219619 [0,1,0,0,0,0|2,0,1]=4 2971 B10R0.74 COCCCSCC(O)CO 62a_100011219619_100000709357 [0,1,0,0,0,0|2,0,1]=4 2972 B10R0.74 COCCCSC[C@@H](C)CO 62a_100000059175_100000709357 [0,1,0,0,0,0|2,0,1]=4 2973 B10R0.74 COCCCSC[C@@H](C)CO 62a_100000709357_100000059175 [0,1,0,0,0,0|2,0,1]=4 2974 B10R0.74 COCCCSC[C@@H](O)CO 62a_100000709357_100009815848 [0,1,0,0,0,0|2,0,1]=4 2975 B10R0.74 COCCCSC[C@@H](O)CO 62a_100009815848_100000709357 [0,1,0,0,0,0|2,0,1]=4 2976 B10R0.74 CSCCCCOC(C)CO 34a_100011217163_100012180447 [0,1,0,0,0,0|2,0,1]=4 2977 B10R0.74 CSCCCCOC(C)CO 7a_100011217163_100012180447 [0,1,0,0,0,0|2,0,1]=4 2978 B10R0.74 CSCCCNCC(O)CO 2230a_100000749238_100011219619 [0,1,0,0,0,0|2,0,1]=4 2979 B10R0.74 CSCCCNC[C@@H](C)CO 2230a_100000749238_100000059175 [0,1,0,0,0,0|2,0,1]=4 2980 B10R0.74 CSCCCNC[C@@H](O)CO 2230a_100000749238_100009815848 [0,1,0,0,0,0|2,0,1]=4 2981 B10R0.74 CSCCCOCC(O)CO 34a_100000690336_100011219619 [0,1,0,0,0,0|2,0,1]=4 2982 B10R0.74 CSCCCOCC(O)CO 7a_100000690336_100011219619 [0,1,0,0,0,0|2,0,1]=4 2983 B10R0.74 CSCCCOC[C@@H](C)CO 34a_100000690336_100000059175 [0,1,0,0,0,0|2,0,1]=4 2984 B10R0.74 CSCCCOC[C@@H](C)CO 7a_100000690336_100000059175 [0,1,0,0,0,0|2,0,1]=4 2985 B10R0.74 CSCCCOC[C@@H](O)CO 34a_100000690336_100009815848 [0,1,0,0,0,0|2,0,1]=4 2986 B10R0.74 CSCCCOC[C@@H](O)CO 7a_100000690336_100009815848 [0,1,0,0,0,0|2,0,1]=4 2987 B10R0.74 C[C@@H](CN)CCCOCCO 34a_100160569302_100000211926 [0,1,0,0,0,0|2,0,1]=4 2988 B10R0.74 C[C@@H](CO)CNCCCCO 2230a_100000750430_100000059175 [0,1,0,0,0,0|2,0,1]=4 2989 B10R0.74 C[C@@H](CO)CNCCCCO 34a_100000750430_100000059175 [0,1,0,0,0,0|2,0,1]=4 2990 B10R0.74 C[C@@H](CO)COCCCCBr 34a_100011216708_100000059175 [0,1,0,0,0,0|2,0,1]=4 2991 B10R0.74 C[C@@H](CO)COCCCCCl 34a_100000210776_100000059175 [0,1,0,0,0,0|2,0,1]=4 2992 B10R0.74 C[C@@H](CO)COCCCCCl 7a_100000210776_100000059175 [0,1,0,0,0,0|2,0,1]=4 2993 B10R0.74 C[C@@H](CO)COCCCCF 34a_100011995726_100000059175 [0,1,0,0,0,0|2,0,1]=4 2994 B10R0.74 C[C@@H](CO)COCCCCF 7a_100011995726_100000059175 [0,1,0,0,0,0|2,0,1]=4 2995 B10R0.74 C[C@@H](CO)COCCCCI 34a_200012148704_100000059175 [0,1,0,0,0,0|2,0,1]=4 2996 B10R0.74 C[C@@H](CO)COCCCCN 34a_100000750430_100000059175 [0,1,0,0,0,0|2,0,1]=4 2997 B10R0.74 C[C@@H](CO)CSCCCCF 62a_100000059175_100000729493 [0,1,0,0,0,0|2,0,1]=4 2998 B10R0.74 C[C@@H](CO)CSCCCCF 62a_100000729493_100000059175 [0,1,0,0,0,0|2,0,1]=4 2999 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000059175_100000210776 [0,1,0,0,0,0|2,0,1]=4 3000 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000210776_100000059175 [0,1,0,0,0,0|2,0,1]=4 3001 B10R0.74 C[C@H](CO)NCCCCCF 2230a_100000737577_100000729378 [0,1,0,0,0,0|2,0,1]=4 3002 B10R0.74 C[C@H](CO)NCCCCCO 2230a_100000737577_100000746330 [0,1,0,0,0,0|2,0,1]=4 3003 B10R0.74 C[C@H](CO)SCCCCCF 62a_100000729378_100016084084 [0,1,0,0,0,0|2,0,1]=4 3004 B10R0.74 C[C@H](CO)SCCCCCF 62a_100016084084_100000729378 [0,1,0,0,0,0|2,0,1]=4 3005 B10R0.74 C[C@H](CO)SCCCCCO 62a_100000746330_100016084084 [0,1,0,0,0,0|2,0,1]=4 3006 B10R0.74 C[C@H](CO)SCCCCCO 62a_100016084084_100000746330 [0,1,0,0,0,0|2,0,1]=4 3007 B10R0.74 NCCCCOCC(O)CO 34a_100000750430_100011219619 [0,1,0,0,0,0|2,0,1]=4 3008 B10R0.74 NCCCCOC[C@@H](O)CO 34a_100000750430_100009815848 [0,1,0,0,0,0|2,0,1]=4 3009 B10R0.74 OCC(O)COCCCCBr 34a_100011216708_100011219619 [0,1,0,0,0,0|2,0,1]=4 3010 B10R0.74 OCC(O)COCCCCCl 34a_100000210776_100011219619 [0,1,0,0,0,0|2,0,1]=4 3011 B10R0.74 OCC(O)COCCCCCl 7a_100000210776_100011219619 [0,1,0,0,0,0|2,0,1]=4 3012 B10R0.74 OCC(O)COCCCCF 34a_100011995726_100011219619 [0,1,0,0,0,0|2,0,1]=4 3013 B10R0.74 OCC(O)COCCCCF 7a_100011995726_100011219619 [0,1,0,0,0,0|2,0,1]=4 3014 B10R0.74 OCC(O)COCCCCI 34a_200012148704_100011219619 [0,1,0,0,0,0|2,0,1]=4 3015 B10R0.74 OCC(O)CSCCCCF 62a_100000729493_100011219619 [0,1,0,0,0,0|2,0,1]=4 3016 B10R0.74 OCC(O)CSCCCCF 62a_100011219619_100000729493 [0,1,0,0,0,0|2,0,1]=4 3017 B10R0.74 OCCCCNCC(O)CO 2230a_100000750430_100011219619 [0,1,0,0,0,0|2,0,1]=4 3018 B10R0.74 OCCCCNCC(O)CO 34a_100000750430_100011219619 [0,1,0,0,0,0|2,0,1]=4 3019 B10R0.74 OCCCCNC[C@@H](F)CO 34a_100015665980_100011216708 [0,1,0,0,0,0|2,0,1]=4 3020 B10R0.74 OCCCCNC[C@@H](O)CO 2230a_100000750430_100009815848 [0,1,0,0,0,0|2,0,1]=4 3021 B10R0.74 OCCCCNC[C@@H](O)CO 34a_100000750430_100009815848 [0,1,0,0,0,0|2,0,1]=4 3022 B10R0.74 OCCCCNC[C@H](O)CO 2230a_100020644852_100000210776 [0,1,0,0,0,0|2,0,1]=4 3023 B10R0.74 OCCCCSCC(O)CO 62a_100000210776_100011219619 [0,1,0,0,0,0|2,0,1]=4 3024 B10R0.74 OCCCCSCC(O)CO 62a_100011219619_100000210776 [0,1,0,0,0,0|2,0,1]=4 3025 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100000210776_100009815848 [0,1,0,0,0,0|2,0,1]=4 3026 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100009815848_100000210776 [0,1,0,0,0,0|2,0,1]=4 3027 B10R0.74 OC[C@@H](O)CNCCCCF 2230a_100020644852_100000729493 [0,1,0,0,0,0|2,0,1]=4 3028 B10R0.74 OC[C@H](F)CNCCCCF 34a_100015665980_100000729493 [0,1,0,0,0,0|2,0,1]=4 3029 B10R0.74 OC[C@H](O)COCCCCBr 34a_100011216708_100009815848 [0,1,0,0,0,0|2,0,1]=4 3030 B10R0.74 OC[C@H](O)COCCCCCl 34a_100000210776_100009815848 [0,1,0,0,0,0|2,0,1]=4 3031 B10R0.74 OC[C@H](O)COCCCCCl 7a_100000210776_100009815848 [0,1,0,0,0,0|2,0,1]=4 3032 B10R0.74 OC[C@H](O)COCCCCF 34a_100011995726_100009815848 [0,1,0,0,0,0|2,0,1]=4 3033 B10R0.74 OC[C@H](O)COCCCCF 7a_100011995726_100009815848 [0,1,0,0,0,0|2,0,1]=4 3034 B10R0.74 OC[C@H](O)COCCCCI 34a_200012148704_100009815848 [0,1,0,0,0,0|2,0,1]=4 3035 B10R0.74 OC[C@H](O)CSCCCCF 62a_100000729493_100009815848 [0,1,0,0,0,0|2,0,1]=4 3036 B10R0.74 OC[C@H](O)CSCCCCF 62a_100009815848_100000729493 [0,1,0,0,0,0|2,0,1]=4 3037 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [0,1,0,0,0,0|1,0,2]=4 3038 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [0,1,0,0,0,0|1,0,2]=4 3039 B10R0.91 C#CCCCC(=O)CCCO 1458a_100000690238_100011215043 [0,1,0,0,0,0|0,0,3]=4 3040 B10R0.91 C#CCCCC(=O)NCCO 240690a_100000210304_100000690238 [0,1,0,0,0,0|1,0,2]=4 3041 B10R0.91 C#CCCCC(=O)NCCO 527a_100000210304_100000690238 [0,1,0,0,0,0|1,0,2]=4 3042 B10R0.91 C#CCNC(=O)CCCCC 11a_100000212058_100000212188 [0,1,0,0,0,0|2,0,1]=4 3043 B10R0.91 C#CCNC(=O)CCCCC 1626a_100000212058_100000212188 [0,1,0,0,0,0|2,0,1]=4 3044 B10R0.91 C#CCNC(=O)CCCCC 240690a_100000212058_100000212188 [0,1,0,0,0,0|2,0,1]=4 3045 B10R0.91 C#CCNC(=O)CCCCC 527a_100000212058_100000212188 [0,1,0,0,0,0|2,0,1]=4 3046 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [0,1,0,0,0,0|1,0,2]=4 3047 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,1,0,0,0,0|1,0,2]=4 3048 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,1,0,0,0,0|1,0,2]=4 3049 B10R0.91 C=CCCCC(=O)CCCO 1458a_100000766728_100011215043 [0,1,0,0,0,0|0,0,3]=4 3050 B10R0.91 C=CCCCC(=O)NCCO 240690a_100000210304_100000766728 [0,1,0,0,0,0|1,0,2]=4 3051 B10R0.91 C=CCCCC(=O)NCCO 527a_100000210304_100000766728 [0,1,0,0,0,0|1,0,2]=4 3052 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [0,1,0,0,0,0|2,0,1]=4 3053 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [0,1,0,0,0,0|2,0,1]=4 3054 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [0,1,0,0,0,0|2,0,1]=4 3055 B10R0.91 CC(CCCCl)OCCCO 34a_200000718107_100000230001 [0,1,0,0,0,0|2,0,1]=4 3056 B10R0.91 CC(CCCCl)OCCCO 7a_200000718107_100011215043 [0,1,0,0,0,0|2,0,1]=4 3057 B10R0.91 CC/C=C/CC(=O)CCCO 1458a_100016274230_100011215043 [0,1,0,0,0,0|0,0,3]=4 3058 B10R0.91 CC/C=C/CC(=O)NCCO 240690a_100000210304_100016274230 [0,1,0,0,0,0|1,0,2]=4 3059 B10R0.91 CC/C=C/CC(=O)NCCO 527a_100000210304_100016274230 [0,1,0,0,0,0|1,0,2]=4 3060 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [0,1,0,0,0,0|1,0,2]=4 3061 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,1,0,0,0,0|1,0,1]=3 3062 B10R0.91 CCC=CC(=O)CCCCF 1458a_100000212282_100000729493 [0,1,0,0,0,0|2,0,1]=4 3063 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [0,1,0,0,0,0|2,0,1]=4 3064 B10R0.91 CCC=CC(=O)CCCOC 1458a_100000212282_100000740836 [0,1,0,0,0,0|2,0,1]=4 3065 B10R0.91 CCC=CC(=O)CCOCC 1458a_100000212282_100011215890 [0,1,0,0,0,0|2,0,1]=4 3066 B10R0.91 CCC=CC(=O)CCSCC 1458a_100000212282_100000757381 [0,1,0,0,0,0|2,0,1]=4 3067 B10R0.91 CCC=CC(=O)NCCCC 11a_100000102301_100000212282 [0,1,0,0,0,0|2,0,1]=4 3068 B10R0.91 CCC=CC(=O)NCCCC 1626a_100000102301_100000212282 [0,1,0,0,0,0|2,0,1]=4 3069 B10R0.91 CCC=CC(=O)NCCCC 240690a_100000102301_100000212282 [0,1,0,0,0,0|2,0,1]=4 3070 B10R0.91 CCCC#CC(=O)CCCO 1458a_200011218047_100011215043 [0,1,0,0,0,0|0,0,3]=4 3071 B10R0.91 CCCC#CC(=O)NCCO 240690a_100000210304_200011218047 [0,1,0,0,0,0|1,0,2]=4 3072 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [0,1,0,0,0,0|1,0,1]=3 3073 B10R0.91 CCCC=CC(=O)CCCF 1458a_100000212230_100011934791 [0,1,0,0,0,0|2,0,1]=4 3074 B10R0.91 CCCC=CC(=O)CCCO 1458a_100000212230_100011215043 [0,1,0,0,0,0|0,0,3]=4 3075 B10R0.91 CCCC=CC(=O)CCOC 1458a_100000212230_100000233755 [0,1,0,0,0,0|2,0,1]=4 3076 B10R0.91 CCCC=CC(=O)CCSC 1458a_100000212230_100000751147 [0,1,0,0,0,0|2,0,1]=4 3077 B10R0.91 CCCC=CC(=O)NCCC 11a_100020643023_100000212230 [0,1,0,0,0,0|2,0,1]=4 3078 B10R0.91 CCCC=CC(=O)NCCC 1626a_100020643023_100000212230 [0,1,0,0,0,0|2,0,1]=4 3079 B10R0.91 CCCC=CC(=O)NCCC 240690a_100020643023_100000212230 [0,1,0,0,0,0|2,0,1]=4 3080 B10R0.91 CCCC=CC(=O)NCCO 240690a_100000210304_100000212230 [0,1,0,0,0,0|1,0,2]=4 3081 B10R0.91 CCCCC(=NNCCO)C 4a_100000210001_100000210087 [0,1,0,0,0,0|2,0,1]=4 3082 B10R0.91 CCCCC(=O)C=CCOC 1458a_100016285016_100000210211 [0,1,0,0,0,0|2,0,1]=4 3083 B10R0.91 CCCCC(=O)C=COCC 1458a_100016266692_100000210211 [0,1,0,0,0,0|2,0,1]=4 3084 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [0,1,0,0,0,0|2,0,1]=4 3085 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [0,1,0,0,0,0|0,0,3]=4 3086 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [0,1,0,0,0,0|0,0,3]=4 3087 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [0,1,0,0,0,0|2,0,1]=4 3088 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [0,1,0,0,0,0|2,0,1]=4 3089 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [0,1,0,0,0,0|2,0,1]=4 3090 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [0,1,0,0,0,0|2,0,1]=4 3091 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [0,1,0,0,0,0|2,0,1]=4 3092 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [0,1,0,0,0,0|2,0,1]=4 3093 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [0,1,0,0,0,0|2,0,1]=4 3094 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [0,1,0,0,0,0|2,0,1]=4 3095 B10R0.91 CCCCC(=O)COCCO 1458a_100000708028_100000210211 [0,1,0,0,0,0|1,0,2]=4 3096 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [0,1,0,0,0,0|2,0,1]=4 3097 B10R0.91 CCCCC(=O)NCCCO 240690a_100000182051_100000210183 [0,1,0,0,0,0|1,0,2]=4 3098 B10R0.91 CCCCC(=O)NCCCO 527a_100000182051_100000210183 [0,1,0,0,0,0|1,0,2]=4 3099 B10R0.91 CCCCC(=O)NNCCO 22a_100000210001_100000210183 [0,1,0,0,0,0|2,0,1]=4 3100 B10R0.91 CCCCC(C)COCCC 34a_100011995851_100000210303 [0,1,0,0,0,0|2,0,1]=4 3101 B10R0.91 CCCCC(C)COCCC 7a_100011995851_100000210303 [0,1,0,0,0,0|2,0,1]=4 3102 B10R0.91 CCCCC(C)COCCF 34a_100011995851_100011217306 [0,1,0,0,0,0|2,0,1]=4 3103 B10R0.91 CCCCC(C)COCCF 7a_100011995851_100011217306 [0,1,0,0,0,0|2,0,1]=4 3104 B10R0.91 CCCCC(C)COCCO 34a_100011995851_100000211926 [0,1,0,0,0,0|1,0,1]=3 3105 B10R0.91 CCCCC(C)COCCO 7a_100011995851_100000211926 [0,1,0,0,0,0|1,0,1]=3 3106 B10R0.91 CCCCC(C)NCCCF 2230a_100000126638_100011934791 [0,1,0,0,0,0|2,0,1]=4 3107 B10R0.91 CCCCC(C)NCCCF 2230a_100015189416_200011215066 [0,1,0,0,0,0|2,0,1]=4 3108 B10R0.91 CCCCC(C)NCCCF 270004a_100015189416_100000210087 [0,1,0,0,0,0|2,0,1]=4 3109 B10R0.91 CCCCC(C)NCCCF 34a_100015189416_200011215066 [0,1,0,0,0,0|2,0,1]=4 3110 B10R0.91 CCCCC(C)NCCCO 2230a_100000126638_100000230001 [0,1,0,0,0,0|1,0,1]=3 3111 B10R0.91 CCCCC(C)NCCCO 270004a_100000182051_100000210087 [0,1,0,0,0,0|1,0,1]=3 3112 B10R0.91 CCCCC(C)OCCCBr 34a_100011217188_200011215066 [0,1,0,0,0,0|2,0,1]=4 3113 B10R0.91 CCCCC(C)OCCCCl 34a_100000230001_200011215066 [0,1,0,0,0,0|2,0,1]=4 3114 B10R0.91 CCCCC(C)OCCCF 34a_100000687866_100011934791 [0,1,0,0,0,0|2,0,1]=4 3115 B10R0.91 CCCCC(C)OCCCF 34a_100000759539_200011215066 [0,1,0,0,0,0|2,0,1]=4 3116 B10R0.91 CCCCC(C)OCCCF 7a_100000687866_100011934791 [0,1,0,0,0,0|2,0,1]=4 3117 B10R0.91 CCCCC(C)OCCCN 34a_100000182051_200011215066 [0,1,0,0,0,0|2,0,1]=4 3118 B10R0.91 CCCCC(C)OCCCO 34a_100000687866_100000230001 [0,1,0,0,0,0|1,0,1]=3 3119 B10R0.91 CCCCC(C)OCCCO 7a_100000687866_100011215043 [0,1,0,0,0,0|1,0,1]=3 3120 B10R0.91 CCCCC(C)SCCCF 62a_100011934791_200011215066 [0,1,0,0,0,0|2,0,1]=4 3121 B10R0.91 CCCCC(C)SCCCF 62a_200011215066_100011934791 [0,1,0,0,0,0|2,0,1]=4 3122 B10R0.91 CCCCC(C)SCCCO 62a_100011215043_200011215066 [0,1,0,0,0,0|1,0,1]=3 3123 B10R0.91 CCCCC(C)SCCCO 62a_200011215066_100011215043 [0,1,0,0,0,0|1,0,1]=3 3124 B10R0.91 CCCCCC(=NNCC)C 4a_100000756455_100000211708 [0,1,0,0,0,0|3,0,0]=4 3125 B10R0.91 CCCCCC(=O)C#CCO 1458a_100000049017_100000210326 [0,1,0,0,0,0|0,0,2]=3 3126 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [0,1,0,0,0,0|2,0,1]=4 3127 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [0,1,0,0,0,0|1,0,2]=4 3128 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [0,1,0,0,0,0|1,0,2]=4 3129 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [0,1,0,0,0,0|1,0,1]=3 3130 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [0,1,0,0,0,0|1,0,1]=3 3131 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [0,1,0,0,0,0|1,0,1]=3 3132 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [0,1,0,0,0,0|0,0,1]=2 3133 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,1,0,0,0,0|2,0,1]=4 3134 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,1,0,0,0,0|2,0,1]=4 3135 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [0,1,0,0,0,0|2,0,1]=4 3136 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [0,1,0,0,0,0|2,0,1]=4 3137 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [0,1,0,0,0,0|2,0,1]=4 3138 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [0,1,0,0,0,0|2,0,1]=4 3139 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [0,1,0,0,0,0|2,0,1]=4 3140 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [0,1,0,0,0,0|2,0,1]=4 3141 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [0,1,0,0,0,0|2,0,1]=4 3142 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [0,1,0,0,0,0|2,0,1]=4 3143 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [0,1,0,0,0,0|2,0,1]=4 3144 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [0,1,0,0,0,0|2,0,1]=4 3145 B10R0.91 CCCCCC(=O)NCC#N 1626a_100000734998_100000212188 [0,1,0,0,0,0|2,0,1]=4 3146 B10R0.91 CCCCCC(=O)NCC#N 527a_100000734998_100000212188 [0,1,0,0,0,0|2,0,1]=4 3147 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [0,1,0,0,0,0|2,0,0]=3 3148 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [0,1,0,0,0,0|2,0,0]=3 3149 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [0,1,0,0,0,0|2,0,0]=3 3150 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [0,1,0,0,0,0|2,0,0]=3 3151 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [0,1,0,0,0,0|2,0,0]=3 3152 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [0,1,0,0,0,0|2,0,0]=3 3153 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [0,1,0,0,0,0|2,0,0]=3 3154 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [0,1,0,0,0,0|2,0,0]=3 3155 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [0,1,0,0,0,0|1,0,0]=2 3156 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [0,1,0,0,0,0|1,0,0]=2 3157 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [0,1,0,0,0,0|3,0,0]=4 3158 B10R0.91 CCCCCC(C)NCCC 2230a_100000211957_100000210303 [0,1,0,0,0,0|2,0,1]=4 3159 B10R0.91 CCCCCC(C)NCCC 270004a_100020643023_100000211708 [0,1,0,0,0,0|2,0,1]=4 3160 B10R0.91 CCCCCC(C)NCCF 2230a_100000211957_100011217306 [0,1,0,0,0,0|2,0,1]=4 3161 B10R0.91 CCCCCC(C)NCCF 34a_100000724931_200011218191 [0,1,0,0,0,0|2,0,1]=4 3162 B10R0.91 CCCCCC(C)NCCO 2230a_100000211957_100000211926 [0,1,0,0,0,0|1,0,1]=3 3163 B10R0.91 CCCCCC(C)NCCO 2230a_100016997473_200011218191 [0,1,0,0,0,0|1,0,1]=3 3164 B10R0.91 CCCCCC(C)NCCO 270004a_100000210304_100000211708 [0,1,0,0,0,0|1,0,1]=3 3165 B10R0.91 CCCCCC(C)NCCO 34a_100016990907_200011218191 [0,1,0,0,0,0|1,0,1]=3 3166 B10R0.91 CCCCCC(C)OCCBr 34a_100000211926_200011218191 [0,1,0,0,0,0|2,0,1]=4 3167 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [0,1,0,0,0,0|2,0,1]=4 3168 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [0,1,0,0,0,0|2,0,1]=4 3169 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [0,1,0,0,0,0|2,0,1]=4 3170 B10R0.91 CCCCCC(C)OCCF 34a_100011215632_100011217306 [0,1,0,0,0,0|2,0,1]=4 3171 B10R0.91 CCCCCC(C)OCCF 7a_100011215632_100011217306 [0,1,0,0,0,0|2,0,1]=4 3172 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [0,1,0,0,0,0|2,0,1]=4 3173 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [0,1,0,0,0,0|1,0,1]=3 3174 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [0,1,0,0,0,0|1,0,1]=3 3175 B10R0.91 CCCCCC(C)SCCC 62a_100000210303_200011218191 [0,1,0,0,0,0|2,0,1]=4 3176 B10R0.91 CCCCCC(C)SCCC 62a_200011218191_100000210303 [0,1,0,0,0,0|2,0,1]=4 3177 B10R0.91 CCCCCC(C)SCCF 62a_100011217306_200011218191 [0,1,0,0,0,0|2,0,1]=4 3178 B10R0.91 CCCCCC(C)SCCF 62a_200011218191_100011217306 [0,1,0,0,0,0|2,0,1]=4 3179 B10R0.91 CCCCCC(C)SCCO 62a_100000211926_200011218191 [0,1,0,0,0,0|1,0,1]=3 3180 B10R0.91 CCCCCC(C)SCCO 62a_200011218191_100000211926 [0,1,0,0,0,0|1,0,1]=3 3181 B10R0.91 CCCCCN(C)CCCC 2230a_100000207549_100000210326 [0,1,0,0,0,0|2,0,1]=4 3182 B10R0.91 CCCCCN(C)CCCC 2230a_100000223495_100000210211 [0,1,0,0,0,0|2,0,1]=4 3183 B10R0.91 CCCCCN(C)CCCC 269982a_100000207549_100000210215 [0,1,0,0,0,0|2,0,1]=4 3184 B10R0.91 CCCCCN(C)CCCC 269982a_100000223495_100000210211 [0,1,0,0,0,0|2,0,1]=4 3185 B10R0.91 CCCCCN(C)CCCF 2230a_100000223495_100011934791 [0,1,0,0,0,0|2,0,1]=4 3186 B10R0.91 CCCCCN(C)CCCF 269982a_100000223495_100011934791 [0,1,0,0,0,0|2,0,1]=4 3187 B10R0.91 CCCCCN(C)CCCO 2230a_100000213112_100000210326 [0,1,0,0,0,0|1,0,1]=3 3188 B10R0.91 CCCCCN(C)CCCO 2230a_100000223495_100000230001 [0,1,0,0,0,0|1,0,1]=3 3189 B10R0.91 CCCCCN(C)CCCO 269982a_100000213112_100000210215 [0,1,0,0,0,0|1,0,1]=3 3190 B10R0.91 CCCCCN(C)CCCO 269982a_100000223495_100011215043 [0,1,0,0,0,0|1,0,1]=3 3191 B10R0.91 CCCCN(C)CCCCO 2230a_100000207549_100000210776 [0,1,0,0,0,0|1,0,2]=4 3192 B10R0.91 CCCCN(C)CCCCO 2230a_100000717598_100000210211 [0,1,0,0,0,0|1,0,2]=4 3193 B10R0.91 CCCCN(C)CCCCO 2230a_200011216965_200000210301 [0,1,0,0,0,0|1,0,2]=4 3194 B10R0.91 CCCCN(C)CCCCO 269982a_100000207549_100000210776 [0,1,0,0,0,0|1,0,2]=4 3195 B10R0.91 CCCCN(C)CCCCO 269982a_100000717598_100000210211 [0,1,0,0,0,0|1,0,2]=4 3196 B10R0.91 CCCCN(C)CCCCO 269982a_200011216965_200000210301 [0,1,0,0,0,0|1,0,2]=4 3197 B10R0.91 CCCCN([13CH3])CCCCO 2230a_200011216965_200025704644 [0,1,0,0,0,0|1,0,2]=4 3198 B10R0.91 CCCCN([13CH3])CCCCO 269982a_200011216965_200025704644 [0,1,0,0,0,0|1,0,2]=4 3199 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [0,1,0,0,0,0|2,0,1]=4 3200 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [0,1,0,0,0,0|2,0,1]=4 3201 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [0,1,0,0,0,0|2,0,1]=4 3202 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [0,1,0,0,0,0|2,0,1]=4 3203 B10R0.91 CCCCNC(=O)NCCC 2708a_100000102301_100020643023 [0,1,0,0,0,0|3,0,0]=4 3204 B10R0.91 CCCCNC(=O)NCCC 2708a_100020643023_100000102301 [0,1,0,0,0,0|3,0,0]=4 3205 B10R0.91 CCCCNC(=O)NCCC 273464a_100000102301_100020643023 [0,1,0,0,0,0|3,0,0]=4 3206 B10R0.91 CCCCNC(=O)NCCC 273464a_100020643023_100000102301 [0,1,0,0,0,0|3,0,0]=4 3207 B10R0.91 CCCCNC(=O)NCCC 512a_100000102301_100020643023 [0,1,0,0,0,0|3,0,0]=4 3208 B10R0.91 CCCCNC(=O)NCCC 512a_100020643023_100000102301 [0,1,0,0,0,0|3,0,0]=4 3209 B10R0.91 CCCCNC(=O)NCCF 2708a_100000102301_100000724931 [0,1,0,0,0,0|3,0,0]=4 3210 B10R0.91 CCCCNC(=O)NCCF 273464a_100000102301_100000724931 [0,1,0,0,0,0|3,0,0]=4 3211 B10R0.91 CCCCNC(=O)NCCF 273464a_100000724931_100000102301 [0,1,0,0,0,0|3,0,0]=4 3212 B10R0.91 CCCCNC(=O)NCCF 512a_100000102301_100000724931 [0,1,0,0,0,0|3,0,0]=4 3213 B10R0.91 CCCCNC(=O)NCCO 2708a_100000102301_100000210304 [0,1,0,0,0,0|2,0,0]=3 3214 B10R0.91 CCCCNC(=O)NCCO 273464a_100000102301_100000210304 [0,1,0,0,0,0|2,0,0]=3 3215 B10R0.91 CCCCNC(=O)NCCO 273464a_100000210304_100000102301 [0,1,0,0,0,0|2,0,0]=3 3216 B10R0.91 CCCCNC(=O)NCCO 512a_100000102301_100000210304 [0,1,0,0,0,0|2,0,0]=3 3217 B10R0.91 CCCCNC(C)CCCC 2230a_100000102301_200011215066 [0,1,0,0,0,0|2,0,1]=4 3218 B10R0.91 CCCCNC(C)CCCC 2230a_100000126638_100000210211 [0,1,0,0,0,0|2,0,1]=4 3219 B10R0.91 CCCCNC(C)CCCC 270004a_100000102301_100000210087 [0,1,0,0,0,0|2,0,1]=4 3220 B10R0.91 CCCCNC(C)CCCC 7a_106832991798_200011215066 [0,1,0,0,0,0|2,0,1]=4 3221 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [0,1,0,0,0,0|2,0,1]=4 3222 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [0,1,0,0,0,0|2,0,1]=4 3223 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [0,1,0,0,0,0|2,0,1]=4 3224 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [0,1,0,0,0,0|2,0,1]=4 3225 B10R0.91 CCCCSC(C)CCCC 62a_100000210211_200011215066 [0,1,0,0,0,0|2,0,1]=4 3226 B10R0.91 CCCCSC(C)CCCC 62a_200011215066_100000210210 [0,1,0,0,0,0|2,0,1]=4 3227 B10R0.91 CCCC[C@H](N)COCCC 34a_100011934283_100000210303 [0,1,0,0,0,0|2,0,1]=4 3228 B10R0.91 CCCC[C@H](N)COCCF 34a_100011934283_100011217306 [0,1,0,0,0,0|2,0,1]=4 3229 B10R0.91 CCCC[C@H](N)COCCO 34a_100011934283_100000211926 [0,1,0,0,0,0|1,0,1]=3 3230 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [0,1,0,0,0,0|3,0,0]=4 3231 B10R0.91 CCCNC(=O)CCCNC 2230a_106832991635_100011194427 [0,1,0,0,0,0|3,0,0]=4 3232 B10R0.91 CCCNC(=O)CCCNC 7a_106832991635_100011194427 [0,1,0,0,0,0|3,0,0]=4 3233 B10R0.91 CCCNC(=O)CCCOC 11a_100020643023_100000741012 [0,1,0,0,0,0|3,0,0]=4 3234 B10R0.91 CCCNC(=O)CCCOC 1626a_100020643023_100000741012 [0,1,0,0,0,0|3,0,0]=4 3235 B10R0.91 CCCNC(=O)CCCOC 240690a_100020643023_100000741012 [0,1,0,0,0,0|3,0,0]=4 3236 B10R0.91 CCCNC(=O)CCCOC 527a_100020643023_100000741012 [0,1,0,0,0,0|3,0,0]=4 3237 B10R0.91 CCCNC(=O)CCCSC 11a_100020643023_100000173376 [0,1,0,0,0,0|3,0,0]=4 3238 B10R0.91 CCCNC(=O)CCCSC 1626a_100020643023_100000173376 [0,1,0,0,0,0|3,0,0]=4 3239 B10R0.91 CCCNC(=O)CCCSC 240690a_100020643023_100000173376 [0,1,0,0,0,0|3,0,0]=4 3240 B10R0.91 CCCNC(=O)CCCSC 527a_100020643023_100000173376 [0,1,0,0,0,0|3,0,0]=4 3241 B10R0.91 CCCNC(=O)CCCSC 62a_100011194427_200000210301 [0,1,0,0,0,0|3,0,0]=4 3242 B10R0.91 CCCNC(=O)CCCSC 62a_200000210301_100011194427 [0,1,0,0,0,0|3,0,0]=4 3243 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_100011194427_200025704644 [0,1,0,0,0,0|3,0,0]=4 3244 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_200025704644_100011194427 [0,1,0,0,0,0|3,0,0]=4 3245 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [0,1,0,0,0,0|3,0,0]=4 3246 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [0,1,0,0,0,0|3,0,0]=4 3247 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [0,1,0,0,0,0|3,0,0]=4 3248 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [0,1,0,0,0,0|3,0,0]=4 3249 B10R0.91 CCCNC(=O)CCSCC 11a_100020643023_100000230768 [0,1,0,0,0,0|3,0,0]=4 3250 B10R0.91 CCCNC(=O)CCSCC 1626a_100020643023_100000230768 [0,1,0,0,0,0|3,0,0]=4 3251 B10R0.91 CCCNC(=O)CCSCC 240690a_100020643023_100000230768 [0,1,0,0,0,0|3,0,0]=4 3252 B10R0.91 CCCNC(=O)CCSCC 527a_100020643023_100000230768 [0,1,0,0,0,0|3,0,0]=4 3253 B10R0.91 CCCNC(=O)COCCC 11a_100020643023_100000745993 [0,1,0,0,0,0|3,0,0]=4 3254 B10R0.91 CCCNC(=O)COCCC 1626a_100020643023_100000745993 [0,1,0,0,0,0|3,0,0]=4 3255 B10R0.91 CCCNC(=O)COCCC 240690a_100020643023_100000745993 [0,1,0,0,0,0|3,0,0]=4 3256 B10R0.91 CCCNC(=O)COCCC 34a_100000210258_100000183358 [0,1,0,0,0,0|3,0,0]=4 3257 B10R0.91 CCCNC(=O)COCCC 527a_100020643023_100000745993 [0,1,0,0,0,0|3,0,0]=4 3258 B10R0.91 CCCNC(=O)CSCCC 11a_100020643023_100000217233 [0,1,0,0,0,0|3,0,0]=4 3259 B10R0.91 CCCNC(=O)CSCCC 1626a_100020643023_100000217233 [0,1,0,0,0,0|3,0,0]=4 3260 B10R0.91 CCCNC(=O)CSCCC 240690a_100020643023_100000217233 [0,1,0,0,0,0|3,0,0]=4 3261 B10R0.91 CCCNC(=O)CSCCC 527a_100020643023_100000217233 [0,1,0,0,0,0|3,0,0]=4 3262 B10R0.91 CCCNC(=O)CSCCC 62a_100000183358_100000210303 [0,1,0,0,0,0|3,0,0]=4 3263 B10R0.91 CCCNC(=O)CSCCC 62a_100000210303_100000183358 [0,1,0,0,0,0|3,0,0]=4 3264 B10R0.91 CCCNCC(=O)NCCC 2230a_100000174927_100000210303 [0,1,0,0,0,0|3,0,0]=4 3265 B10R0.91 CCCNCC(=O)NCCF 2230a_100000725713_100000210303 [0,1,0,0,0,0|3,0,0]=4 3266 B10R0.91 CCCNC[C@H](C)CCCO 2230a_100160569302_100000210303 [0,1,0,0,0,0|1,0,2]=4 3267 B10R0.91 CCCNC[C@H](C)CCCO 34a_100160569302_100000210303 [0,1,0,0,0,0|1,0,2]=4 3268 B10R0.91 CCCNN=C(C)CCCO 4a_100000740057_100000759063 [0,1,0,0,0,0|2,0,1]=4 3269 B10R0.91 CCCNNC(=O)NCCO 273464a_100000210304_100000740057 [0,1,0,0,0,0|3,0,0]=4 3270 B10R0.91 CCCNNC(=O)NCCO 512a_100000740057_100000210304 [0,1,0,0,0,0|3,0,0]=4 3271 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [0,1,0,0,0,0|3,0,0]=4 3272 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [0,1,0,0,0,0|3,0,0]=4 3273 B10R0.91 CCCOC(C)CNCCO 2230a_100015185124_100000211926 [0,1,0,0,0,0|2,0,1]=4 3274 B10R0.91 CCCOC(C)CNCCO 34a_100015185124_100000211926 [0,1,0,0,0,0|2,0,1]=4 3275 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [0,1,0,0,0,0|2,0,1]=4 3276 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [0,1,0,0,0,0|1,0,1]=3 3277 B10R0.91 CCCOCC(=O)NCCF 11a_100000724931_100000745993 [0,1,0,0,0,0|3,0,0]=4 3278 B10R0.91 CCCOCC(=O)NCCF 1626a_100000724931_100000745993 [0,1,0,0,0,0|3,0,0]=4 3279 B10R0.91 CCCOCC(=O)NCCF 240690a_100000724931_100000745993 [0,1,0,0,0,0|3,0,0]=4 3280 B10R0.91 CCCOCC(=O)NCCF 527a_100000724931_100000745993 [0,1,0,0,0,0|3,0,0]=4 3281 B10R0.91 CCCOCC(=O)NCCO 240690a_100000210304_100000745993 [0,1,0,0,0,0|2,0,0]=3 3282 B10R0.91 CCCOCC(=O)NCCO 527a_100000210304_100000745993 [0,1,0,0,0,0|2,0,0]=3 3283 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [0,1,0,0,0,0|3,0,0]=4 3284 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [0,1,0,0,0,0|2,0,1]=4 3285 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [0,1,0,0,0,0|1,0,1]=3 3286 B10R0.91 CCCSCC(=O)NCCF 11a_100000724931_100000217233 [0,1,0,0,0,0|3,0,0]=4 3287 B10R0.91 CCCSCC(=O)NCCF 1626a_100000724931_100000217233 [0,1,0,0,0,0|3,0,0]=4 3288 B10R0.91 CCCSCC(=O)NCCF 240690a_100000724931_100000217233 [0,1,0,0,0,0|3,0,0]=4 3289 B10R0.91 CCCSCC(=O)NCCF 527a_100000724931_100000217233 [0,1,0,0,0,0|3,0,0]=4 3290 B10R0.91 CCCSCC(=O)NCCO 240690a_100000210304_100000217233 [0,1,0,0,0,0|2,0,0]=3 3291 B10R0.91 CCCSCC(=O)NCCO 527a_100000210304_100000217233 [0,1,0,0,0,0|2,0,0]=3 3292 B10R0.91 CCCSCC(C)NCCO 270004a_100000210304_100011343953 [0,1,0,0,0,0|2,0,1]=4 3293 B10R0.91 CCOCC(C)OCCCO 34a_100000718985_100000230001 [0,1,0,0,0,0|2,0,1]=4 3294 B10R0.91 CCOCC(C)OCCCO 7a_100000718985_100011215043 [0,1,0,0,0,0|2,0,1]=4 3295 B10R0.91 CCOCC(O)CNCCO 2230a_102515437182_100000211926 [0,1,0,0,0,0|2,0,1]=4 3296 B10R0.91 CCOCC(O)CNCCO 34a_102515437182_100000211926 [0,1,0,0,0,0|2,0,1]=4 3297 B10R0.91 CCOCCC(=O)C#CCO 1458a_100000049017_100011215890 [0,1,0,0,0,0|1,0,2]=4 3298 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [0,1,0,0,0,0|2,0,1]=4 3299 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [0,1,0,0,0,0|1,0,1]=3 3300 B10R0.91 CCOCCC(=O)NCCF 11a_100000724931_100000749530 [0,1,0,0,0,0|3,0,0]=4 3301 B10R0.91 CCOCCC(=O)NCCF 1626a_100000724931_100000749530 [0,1,0,0,0,0|3,0,0]=4 3302 B10R0.91 CCOCCC(=O)NCCF 240690a_100000724931_100000749530 [0,1,0,0,0,0|3,0,0]=4 3303 B10R0.91 CCOCCC(=O)NCCF 527a_100000724931_100000749530 [0,1,0,0,0,0|3,0,0]=4 3304 B10R0.91 CCOCCC(=O)NCCO 240690a_100000210304_100000749530 [0,1,0,0,0,0|2,0,0]=3 3305 B10R0.91 CCOCCC(=O)NCCO 527a_100000210304_100000749530 [0,1,0,0,0,0|2,0,0]=3 3306 B10R0.91 CCOCCC(C)NCCO 270004a_100000210304_200011216536 [0,1,0,0,0,0|2,0,1]=4 3307 B10R0.91 CCOCCN(C)CCCO 2230a_100000213112_100011215890 [0,1,0,0,0,0|2,0,1]=4 3308 B10R0.91 CCOCCN(C)CCCO 269982a_100000213112_100011215890 [0,1,0,0,0,0|2,0,1]=4 3309 B10R0.91 CCSCC(C)NCCCO 270004a_100000182051_200011216171 [0,1,0,0,0,0|2,0,1]=4 3310 B10R0.91 CCSCCC(=O)C#CCO 1458a_100000049017_100000757381 [0,1,0,0,0,0|1,0,2]=4 3311 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [0,1,0,0,0,0|2,0,1]=4 3312 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [0,1,0,0,0,0|1,0,1]=3 3313 B10R0.91 CCSCCC(=O)NCCF 11a_100000724931_100000230768 [0,1,0,0,0,0|3,0,0]=4 3314 B10R0.91 CCSCCC(=O)NCCF 1626a_100000724931_100000230768 [0,1,0,0,0,0|3,0,0]=4 3315 B10R0.91 CCSCCC(=O)NCCF 240690a_100000724931_100000230768 [0,1,0,0,0,0|3,0,0]=4 3316 B10R0.91 CCSCCC(=O)NCCF 527a_100000724931_100000230768 [0,1,0,0,0,0|3,0,0]=4 3317 B10R0.91 CCSCCC(=O)NCCO 240690a_100000210304_100000230768 [0,1,0,0,0,0|2,0,0]=3 3318 B10R0.91 CCSCCC(=O)NCCO 527a_100000210304_100000230768 [0,1,0,0,0,0|2,0,0]=3 3319 B10R0.91 CCSCCN(C)CCCO 2230a_100000213112_100000757381 [0,1,0,0,0,0|2,0,1]=4 3320 B10R0.91 CCSCCN(C)CCCO 269982a_100000213112_100000757381 [0,1,0,0,0,0|2,0,1]=4 3321 B10R0.91 CN(CCCO)CCCCF 2230a_100000213112_100000729493 [0,1,0,0,0,0|2,0,1]=4 3322 B10R0.91 CN(CCCO)CCCCF 269982a_100000213112_100000729493 [0,1,0,0,0,0|2,0,1]=4 3323 B10R0.91 CN(CCCO)CCCCO 2230a_100000213112_100000210776 [0,1,0,0,0,0|2,0,1]=4 3324 B10R0.91 CN(CCCO)CCCCO 2230a_100000717598_100000230001 [0,1,0,0,0,0|2,0,1]=4 3325 B10R0.91 CN(CCCO)CCCCO 269982a_100000213112_100000210776 [0,1,0,0,0,0|2,0,1]=4 3326 B10R0.91 CN(CCCO)CCCCO 269982a_100000717598_100011215043 [0,1,0,0,0,0|2,0,1]=4 3327 B10R0.91 COCCC(C)NCCCO 270004a_100000182051_100000742357 [0,1,0,0,0,0|2,0,1]=4 3328 B10R0.91 COCCCC(=O)C#CCO 1458a_100000049017_100000740836 [0,1,0,0,0,0|1,0,2]=4 3329 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [0,1,0,0,0,0|2,0,1]=4 3330 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [0,1,0,0,0,0|1,0,1]=3 3331 B10R0.91 COCCCC(=O)NCCF 11a_100000724931_100000741012 [0,1,0,0,0,0|3,0,0]=4 3332 B10R0.91 COCCCC(=O)NCCF 1626a_100000724931_100000741012 [0,1,0,0,0,0|3,0,0]=4 3333 B10R0.91 COCCCC(=O)NCCF 240690a_100000724931_100000741012 [0,1,0,0,0,0|3,0,0]=4 3334 B10R0.91 COCCCC(=O)NCCF 527a_100000724931_100000741012 [0,1,0,0,0,0|3,0,0]=4 3335 B10R0.91 COCCCC(=O)NCCO 240690a_100000210304_100000741012 [0,1,0,0,0,0|2,0,0]=3 3336 B10R0.91 COCCCC(=O)NCCO 527a_100000210304_100000741012 [0,1,0,0,0,0|2,0,0]=3 3337 B10R0.91 COCCCC(C)OCCO 34a_200011539412_100000211926 [0,1,0,0,0,0|2,0,1]=4 3338 B10R0.91 COCCCC(C)OCCO 7a_200011539412_100000211926 [0,1,0,0,0,0|2,0,1]=4 3339 B10R0.91 COCCCN(C)CCCO 2230a_100000213112_100000740836 [0,1,0,0,0,0|2,0,1]=4 3340 B10R0.91 COCCCN(C)CCCO 2230a_100000224831_100000230001 [0,1,0,0,0,0|2,0,1]=4 3341 B10R0.91 COCCCN(C)CCCO 269982a_100000213112_100000740836 [0,1,0,0,0,0|2,0,1]=4 3342 B10R0.91 COCCCN(C)CCCO 269982a_100000224831_100011215043 [0,1,0,0,0,0|2,0,1]=4 3343 B10R0.91 COCCNC(=O)NCCO 273464a_100000209980_100000210304 [0,1,0,0,0,0|3,0,0]=4 3344 B10R0.91 COCCNC(=O)NCCO 273464a_100000210304_100000209980 [0,1,0,0,0,0|3,0,0]=4 3345 B10R0.91 CSCCC(C)NCCCO 270004a_100000182051_100011217047 [0,1,0,0,0,0|2,0,1]=4 3346 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [0,1,0,0,0,0|2,0,1]=4 3347 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [0,1,0,0,0,0|1,0,1]=3 3348 B10R0.91 CSCCCC(=O)NCCF 11a_100000724931_100000173376 [0,1,0,0,0,0|3,0,0]=4 3349 B10R0.91 CSCCCC(=O)NCCF 1626a_100000724931_100000173376 [0,1,0,0,0,0|3,0,0]=4 3350 B10R0.91 CSCCCC(=O)NCCF 240690a_100000724931_100000173376 [0,1,0,0,0,0|3,0,0]=4 3351 B10R0.91 CSCCCC(=O)NCCF 527a_100000724931_100000173376 [0,1,0,0,0,0|3,0,0]=4 3352 B10R0.91 CSCCCC(=O)NCCO 240690a_100000210304_100000173376 [0,1,0,0,0,0|2,0,0]=3 3353 B10R0.91 CSCCCC(=O)NCCO 527a_100000210304_100000173376 [0,1,0,0,0,0|2,0,0]=3 3354 B10R0.91 CSCCCC(C)NCCO 270004a_100000210304_100011399439 [0,1,0,0,0,0|2,0,1]=4 3355 B10R0.91 CSCCNC(=O)NCCO 2708a_100020590264_100000210304 [0,1,0,0,0,0|3,0,0]=4 3356 B10R0.91 CSCCNC(=O)NCCO 273464a_100000210304_100020590264 [0,1,0,0,0,0|3,0,0]=4 3357 B10R0.91 CSCCNC(=O)NCCO 273464a_100020590264_100000210304 [0,1,0,0,0,0|3,0,0]=4 3358 B10R0.91 CSCCNC(=O)NCCO 512a_100020590264_100000210304 [0,1,0,0,0,0|3,0,0]=4 3359 B10R0.91 CSCC[C@H](N)COCCO 34a_100011827619_100000211926 [0,1,0,0,0,0|2,0,1]=4 3360 B10R0.91 C[C@H](CCCO)CNCCO 2230a_100160569302_100000211926 [0,1,0,0,0,0|2,0,1]=4 3361 B10R0.91 C[C@H](CCCO)CNCCO 34a_100160569302_100000211926 [0,1,0,0,0,0|2,0,1]=4 3362 B10R0.91 N#CCCCC(=O)CCCO 1458a_100000075515_100011215043 [0,1,0,0,0,0|1,0,2]=4 3363 B10R0.91 N#CCCCC(=O)NCCO 240690a_100000210304_100000075515 [0,1,0,0,0,0|2,0,1]=4 3364 B10R0.91 N#CCCCC(=O)NCCO 527a_100000210304_100000075515 [0,1,0,0,0,0|2,0,1]=4 3365 B10R0.91 O=C(C#CCO)CCCCF 1458a_100000049017_100000729493 [0,1,0,0,0,0|1,0,2]=4 3366 B10R0.91 O=C(C#CCO)CCCCO 1458a_100000049017_100000210776 [0,1,0,0,0,0|1,0,2]=4 3367 B10R0.91 O=C(CCCCO)NCCF 1626a_100000724931_100000695505 [0,1,0,0,0,0|3,0,0]=4 3368 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [0,1,0,0,0,0|2,0,1]=4 3369 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [0,1,0,0,0,0|1,0,1]=3 3370 B10R0.91 O=C(CCCO)COCCO 1458a_100000708028_100011215043 [0,1,0,0,0,0|2,0,1]=4 3371 B10R0.91 O=C(COCCO)NCCO 240690a_100000210304_100000708028 [0,1,0,0,0,0|3,0,0]=4 3372 B10R0.91 O=C(NCCO)NCCCF 2708a_100015189416_100000210304 [0,1,0,0,0,0|3,0,0]=4 3373 B10R0.91 O=C(NCCO)NCCCF 273464a_100000210304_100015189416 [0,1,0,0,0,0|3,0,0]=4 3374 B10R0.91 O=C(NCCO)NCCCF 273464a_100015189416_100000210304 [0,1,0,0,0,0|3,0,0]=4 3375 B10R0.91 O=C(NCCO)NCCCF 512a_100015189416_100000210304 [0,1,0,0,0,0|3,0,0]=4 3376 B10R0.91 O=C(NCCO)NCCCO 273464a_100000182051_100000210304 [0,1,0,0,0,0|3,0,0]=4 3377 B10R0.91 O=C(NCCO)NCCCO 273464a_100000210304_100000182051 [0,1,0,0,0,0|3,0,0]=4 3378 B10R1.4 CC1CC=CCC1CO[13CH3] 34a_100000211322_200025704644 [0,0,0,1,0,0|2,0,0]=3 3379 B10R1.4 CC1CCCCN1CCF 2230a_100000211376_100011217306 [0,0,0,1,0,0|2,0,1]=4 3380 B10R1.4 CC1CCCCN1CCF 269982a_100000211376_100011217306 [0,0,0,1,0,0|2,0,1]=4 3381 B10R1.4 CC1CCCCN1CCF 34a_100000211376_100011217306 [0,0,0,1,0,0|2,0,1]=4 3382 B10R1.4 CC1CCCCN1CCO 2230a_100000211376_100000211926 [0,0,0,1,0,0|1,0,1]=3 3383 B10R1.4 CC1CCCCN1CCO 269982a_100000211376_100000211926 [0,0,0,1,0,0|1,0,1]=3 3384 B10R1.4 CC1CCCCN1CCO 34a_100000211376_100000211926 [0,0,0,1,0,0|1,0,1]=3 3385 B10R1.4 CCCN1CCCCC1C 2230a_100000211376_100000210303 [0,0,0,1,0,0|2,0,1]=4 3386 B10R1.4 CCCN1CCCCC1C 269982a_100000211376_100000210303 [0,0,0,1,0,0|2,0,1]=4 3387 B10R1.4 CCCN1CCCCC1C 34a_100000211376_100000210303 [0,0,0,1,0,0|2,0,1]=4 3388 B10R1.4 CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210202 [0,0,0,1,0,0|2,0,1]=4 3389 B10R1.4 CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210202 [0,0,0,1,0,0|2,0,1]=4 3390 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [0,0,0,1,0,0|1,0,2]=4 3391 B10R1.4 CCSC1CCCCC1O 62a_100000038908_100000210202 [0,0,0,1,0,0|1,0,2]=4 3392 B10R1.4 CCSC1CCCCC1O 62a_100000210202_100000038908 [0,0,0,1,0,0|1,0,2]=4 3393 B10R1.4 CN1CCCCC1CCO 2230a_100000211664_200000210301 [0,0,0,1,0,0|1,0,2]=4 3394 B10R1.4 CN1CCCCC1CCO 269982a_100000211664_200000210301 [0,0,0,1,0,0|1,0,2]=4 3395 B10R1.4 CN1CCCCC1CCO 34a_100000211664_200000210301 [0,0,0,1,0,0|1,0,2]=4 3396 B10R1.4 CNCC1CC=CCC1C 269862a_106832991636_100000117039 [0,0,0,1,0,0|2,0,0]=3 3397 B10R1.4 CNCC1CC=CCC1C 270004a_106832991635_100000117039 [0,0,0,1,0,0|2,0,0]=3 3398 B10R1.4 CNCC1CCCCC1O 34a_100011216029_200000210301 [0,0,0,1,0,0|1,0,2]=4 3399 B10R1.4 COCC1CC=CCC1C 34a_100000211322_200000210301 [0,0,0,1,0,0|2,0,0]=3 3400 B10R1.4 C[C@H]1COCCN1CCO 2230a_100009815349_100000211926 [0,0,0,1,0,0|2,0,1]=4 3401 B10R1.4 C[C@H]1COCCN1CCO 269982a_100009815349_100000211926 [0,0,0,1,0,0|2,0,1]=4 3402 B10R1.4 C[C@H]1COCCN1CCO 34a_100009815349_100000211926 [0,0,0,1,0,0|2,0,1]=4 3403 B10R1.4 [13CH3]N1CCCCC1CCO 2230a_100000211664_200025704644 [0,0,0,1,0,0|1,0,2]=4 3404 B10R1.4 [13CH3]N1CCCCC1CCO 269982a_100000211664_200025704644 [0,0,0,1,0,0|1,0,2]=4 3405 B10R1.4 [13CH3]N1CCCCC1CCO 34a_100000211664_200025704644 [0,0,0,1,0,0|1,0,2]=4 3406 B10R1.4 [13CH3]NCC1CCCCC1O 34a_100011216029_200025704644 [0,0,0,1,0,0|1,0,2]=4 3407 B10R1.5 CCC1C=CCN1CCF 2230a_100000730860_100011217306 [0,0,0,1,0,0|3,0,0]=4 3408 B10R1.5 CCC1C=CCN1CCF 269982a_100000730860_100011217306 [0,0,0,1,0,0|3,0,0]=4 3409 B10R1.5 CCC1C=CCN1CCF 34a_100000730860_100011217306 [0,0,0,1,0,0|3,0,0]=4 3410 B10R1.5 CCC1C=CCN1CCO 2230a_100000730860_100000211926 [0,0,0,1,0,0|3,0,0]=4 3411 B10R1.5 CCC1C=CCN1CCO 269982a_100000730860_100000211926 [0,0,0,1,0,0|3,0,0]=4 3412 B10R1.5 CCC1C=CCN1CCO 34a_100000730860_100000211926 [0,0,0,1,0,0|3,0,0]=4 3413 B10R1.5 CCC1C=CCN1COC 2230a_100000730860_100000766300 [0,0,0,1,0,0|3,0,0]=4 3414 B10R1.5 CCC1C=CCN1COC 269982a_100000730860_100000766300 [0,0,0,1,0,0|3,0,0]=4 3415 B10R1.5 CCC1C=CCN1CSC 2230a_100000730860_100011218213 [0,0,0,1,0,0|3,0,0]=4 3416 B10R1.5 CCC1C=CCN1CSC 269982a_100000730860_100011218213 [0,0,0,1,0,0|3,0,0]=4 3417 B10R1.5 CCC1C=CCN1CSC 34a_100000730860_100011218213 [0,0,0,1,0,0|3,0,0]=4 3418 B10R1.5 CCC1CCCN1CCF 2230a_100000754278_100011217306 [0,0,0,1,0,0|2,0,1]=4 3419 B10R1.5 CCC1CCCN1CCF 269982a_100000754278_100011217306 [0,0,0,1,0,0|2,0,1]=4 3420 B10R1.5 CCC1CCCN1CCF 34a_100000754278_100011217306 [0,0,0,1,0,0|2,0,1]=4 3421 B10R1.5 CCC1CCCN1CCO 2230a_100000754278_100000211926 [0,0,0,1,0,0|1,0,1]=3 3422 B10R1.5 CCC1CCCN1CCO 269982a_100000754278_100000211926 [0,0,0,1,0,0|1,0,1]=3 3423 B10R1.5 CCC1CCCN1CCO 34a_100000754278_100000211926 [0,0,0,1,0,0|1,0,1]=3 3424 B10R1.5 CCCN1CC=CC1CC 2230a_100000730860_100000210303 [0,0,0,1,0,0|2,0,0]=3 3425 B10R1.5 CCCN1CC=CC1CC 269982a_100000730860_100000210303 [0,0,0,1,0,0|2,0,0]=3 3426 B10R1.5 CCCN1CC=CC1CC 34a_100000730860_100000210303 [0,0,0,1,0,0|2,0,0]=3 3427 B10R1.5 CCCN1CCCC1CC 2230a_100000754278_100000210303 [0,0,0,1,0,0|2,0,1]=4 3428 B10R1.5 CCCN1CCCC1CC 269982a_100000754278_100000210303 [0,0,0,1,0,0|2,0,1]=4 3429 B10R1.5 CCCN1CCCC1CC 34a_100000754278_100000210303 [0,0,0,1,0,0|2,0,1]=4 3430 B10R1.5 CCCN1CCC[C@@H]1CO 2230a_100000745186_100000210303 [0,0,0,1,0,0|1,0,2]=4 3431 B10R1.5 CCCN1CCC[C@@H]1CO 269982a_100000745186_100000210303 [0,0,0,1,0,0|1,0,2]=4 3432 B10R1.5 CCCN1CCC[C@@H]1CO 34a_100000745186_100000210303 [0,0,0,1,0,0|1,0,2]=4 3433 B10R1.5 OCCN1CCC[C@@H]1CO 2230a_100000745186_100000211926 [0,0,0,1,0,0|2,0,1]=4 3434 B10R1.5 OCCN1CCC[C@@H]1CO 269982a_100000745186_100000211926 [0,0,0,1,0,0|2,0,1]=4 3435 B10R1.5 OCCN1CCC[C@@H]1CO 34a_100000745186_100000211926 [0,0,0,1,0,0|2,0,1]=4 3436 B10R1.17 BrCCOC1CCCCC1 34a_100000211926_100000210327 [0,0,0,1,0,0|2,0,1]=4 3437 B10R1.17 CCCNC1CCCCC1 2230a_100000182618_100000210303 [0,0,0,1,0,0|2,0,1]=4 3438 B10R1.17 CCCNC1CCCCC1 270004a_100020643023_100000210434 [0,0,0,1,0,0|2,0,1]=4 3439 B10R1.17 CCCNC1CCCCC1 34a_100000182618_100000210303 [0,0,0,1,0,0|2,0,1]=4 3440 B10R1.17 CCCOC1C=CCCC1 34a_100011215024_100000210303 [0,0,0,1,0,0|2,0,0]=3 3441 B10R1.17 CCCOC1CCCCC1 34a_100000210231_100000210303 [0,0,0,1,0,0|2,0,1]=4 3442 B10R1.17 CCCOC1CCCCC1 34a_100000210258_100000210327 [0,0,0,1,0,0|2,0,1]=4 3443 B10R1.17 CCCOC1CCCCC1 7a_100000210231_100000210303 [0,0,0,1,0,0|2,0,1]=4 3444 B10R1.17 CCCOC1CCCCO1 34a_100000033831_100000210303 [0,0,0,1,0,0|1,0,2]=4 3445 B10R1.17 CCCSC1C=CCCC1 62a_100000210303_100000751183 [0,0,0,1,0,0|2,0,0]=3 3446 B10R1.17 CCCSC1C=CCCC1 62a_100000751183_100000210303 [0,0,0,1,0,0|2,0,0]=3 3447 B10R1.17 CCCSC1CCCCC1 62a_100000210303_100000210327 [0,0,0,1,0,0|2,0,1]=4 3448 B10R1.17 CCCSC1CCCCC1 62a_100000210327_100000210303 [0,0,0,1,0,0|2,0,1]=4 3449 B10R1.17 CCNCC1CCCCO1 2230a_100000174945_100000210202 [0,0,0,1,0,0|1,0,2]=4 3450 B10R1.17 CCNCC1CCCCO1 2230a_100015525214_100000211543 [0,0,0,1,0,0|1,0,2]=4 3451 B10R1.17 CCNCC1CCCCO1 34a_100000174945_100000210202 [0,0,0,1,0,0|1,0,2]=4 3452 B10R1.17 CCNC[C@H]1COCCO1 2230a_100010981119_100000210202 [0,0,0,1,0,0|2,0,1]=4 3453 B10R1.17 CCNC[C@H]1COCCO1 34a_100010981119_100000210202 [0,0,0,1,0,0|2,0,1]=4 3454 B10R1.17 CCNN=C1CCCCC1 4a_100000756455_100000210434 [0,0,0,1,0,0|3,0,0]=4 3455 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [0,0,0,1,0,0|1,0,2]=4 3456 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [0,0,0,1,0,0|1,0,2]=4 3457 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [0,0,0,1,0,0|1,0,2]=4 3458 B10R1.17 CCOC[C@@H]1CNCCO1 34a_100015189573_100000210202 [0,0,0,1,0,0|2,0,1]=4 3459 B10R1.17 CCOC[C@H]1COCCO1 34a_100009875890_100000210202 [0,0,0,1,0,0|2,0,1]=4 3460 B10R1.17 CCSCC1CCCCO1 62a_100000210202_100000211543 [0,0,0,1,0,0|1,0,2]=4 3461 B10R1.17 CCSCC1CCCCO1 62a_100000211543_100000210202 [0,0,0,1,0,0|1,0,2]=4 3462 B10R1.17 CNCCC1CCCCO1 2230a_100015183643_200000210301 [0,0,0,1,0,0|1,0,2]=4 3463 B10R1.17 CNCCC1CCCCO1 34a_100015183643_200000210301 [0,0,0,1,0,0|1,0,2]=4 3464 B10R1.17 CNCCC1OCCCO1 2230a_106832991635_100000764188 [0,0,0,1,0,0|2,0,1]=4 3465 B10R1.17 CNCCC1OCCCO1 34a_100102657272_100000764188 [0,0,0,1,0,0|2,0,1]=4 3466 B10R1.17 CNCCC1OCCCO1 7a_106832991635_100000764188 [0,0,0,1,0,0|2,0,1]=4 3467 B10R1.17 COCCC1OCCCO1 34a_100138415774_100000764188 [0,0,0,1,0,0|2,0,1]=4 3468 B10R1.17 COCSC1C=CCCC1 62a_100000751183_100000766300 [0,0,0,1,0,0|3,0,0]=4 3469 B10R1.17 COCSC1C=CCCC1 62a_100000766300_100000751183 [0,0,0,1,0,0|3,0,0]=4 3470 B10R1.17 CSCCC1OCCCO1 62a_100000764188_200000210301 [0,0,0,1,0,0|2,0,1]=4 3471 B10R1.17 CSCCC1OCCCO1 62a_200000210301_100000764188 [0,0,0,1,0,0|2,0,1]=4 3472 B10R1.17 CSCOC1C=CCCC1 34a_100011215024_100011218213 [0,0,0,1,0,0|3,0,0]=4 3473 B10R1.17 CSCSC1C=CCCC1 62a_100000751183_100011218213 [0,0,0,1,0,0|3,0,0]=4 3474 B10R1.17 CSCSC1C=CCCC1 62a_100011218213_100000751183 [0,0,0,1,0,0|3,0,0]=4 3475 B10R1.17 FCCNC1CCCCC1 2230a_100000182618_100011217306 [0,0,0,1,0,0|2,0,1]=4 3476 B10R1.17 FCCNC1CCCCC1 34a_100000182618_100011217306 [0,0,0,1,0,0|2,0,1]=4 3477 B10R1.17 FCCNC1CCCCC1 34a_100000724931_100000210327 [0,0,0,1,0,0|2,0,1]=4 3478 B10R1.17 FCCOC1C=CCCC1 34a_100011215024_100011217306 [0,0,0,1,0,0|3,0,0]=4 3479 B10R1.17 FCCOC1CCCCC1 34a_100000210231_100011217306 [0,0,0,1,0,0|2,0,1]=4 3480 B10R1.17 FCCOC1CCCCC1 7a_100000210231_100011217306 [0,0,0,1,0,0|2,0,1]=4 3481 B10R1.17 FCCSC1C=CCCC1 62a_100000751183_100011217306 [0,0,0,1,0,0|3,0,0]=4 3482 B10R1.17 FCCSC1C=CCCC1 62a_100011217306_100000751183 [0,0,0,1,0,0|3,0,0]=4 3483 B10R1.17 FCCSC1CCCCC1 62a_100000210327_100011217306 [0,0,0,1,0,0|2,0,1]=4 3484 B10R1.17 FCCSC1CCCCC1 62a_100011217306_100000210327 [0,0,0,1,0,0|2,0,1]=4 3485 B10R1.17 NCCOC1CCCCC1 34a_100000210304_100000210327 [0,0,0,1,0,0|2,0,1]=4 3486 B10R1.17 OCCCN1CCCOC1 2230a_100000131196_100000230001 [0,0,0,1,0,0|2,0,1]=4 3487 B10R1.17 OCCCN1CCCOC1 269982a_100000131196_100011215043 [0,0,0,1,0,0|2,0,1]=4 3488 B10R1.17 OCCCN1CCCOC1 34a_100000131196_100000230001 [0,0,0,1,0,0|2,0,1]=4 3489 B10R1.17 OCCCN1CCOCC1 2230a_100015191051_100000230001 [0,0,0,1,0,0|2,0,1]=4 3490 B10R1.17 OCCCN1CCOCC1 269982a_100015191051_100011215043 [0,0,0,1,0,0|2,0,1]=4 3491 B10R1.17 OCCCN1CCOCC1 34a_100015191051_100000230001 [0,0,0,1,0,0|2,0,1]=4 3492 B10R1.17 OCCCN1CCSCC1 2230a_100000737611_100000230001 [0,0,0,1,0,0|2,0,1]=4 3493 B10R1.17 OCCCN1CCSCC1 269982a_100000737611_100011215043 [0,0,0,1,0,0|2,0,1]=4 3494 B10R1.17 OCCNC1C=CCCC1 2230a_100016997473_100000751183 [0,0,0,1,0,0|3,0,0]=4 3495 B10R1.17 OCCNC1CCCCC1 2230a_100000182618_100000211926 [0,0,0,1,0,0|1,0,1]=3 3496 B10R1.17 OCCNC1CCCCC1 270004a_100000210304_100000210434 [0,0,0,1,0,0|1,0,1]=3 3497 B10R1.17 OCCNC1CCCCC1 34a_100000182618_100000211926 [0,0,0,1,0,0|1,0,1]=3 3498 B10R1.17 OCCNC1CCCCC1 34a_100016990907_100000210327 [0,0,0,1,0,0|1,0,1]=3 3499 B10R1.17 OCCNC1CCCOC1 2230a_100000719290_100000211926 [0,0,0,1,0,0|2,0,1]=4 3500 B10R1.17 OCCNC1CCCOC1 270004a_100000210304_100000753404 [0,0,0,1,0,0|2,0,1]=4 3501 B10R1.17 OCCNC1CCCOC1 34a_100000719290_100000211926 [0,0,0,1,0,0|2,0,1]=4 3502 B10R1.17 OCCNC1CCCOC1 34a_100016990907_100000693364 [0,0,0,1,0,0|2,0,1]=4 3503 B10R1.17 OCCNC1CCCSC1 270004a_100000210304_100000057913 [0,0,0,1,0,0|2,0,1]=4 3504 B10R1.17 OCCNC1CCNCC1 270004a_100000210304_100015192401 [0,0,0,1,0,0|2,0,1]=4 3505 B10R1.17 OCCNC1CCOCC1 2230a_100000741149_100000211926 [0,0,0,1,0,0|2,0,1]=4 3506 B10R1.17 OCCNC1CCOCC1 270004a_100000210304_100011217826 [0,0,0,1,0,0|2,0,1]=4 3507 B10R1.17 OCCNC1CCOCC1 34a_100000741149_100000211926 [0,0,0,1,0,0|2,0,1]=4 3508 B10R1.17 OCCNC1CCSCC1 2230a_100000748639_100000211926 [0,0,0,1,0,0|2,0,1]=4 3509 B10R1.17 OCCNC1CCSCC1 270004a_100000210304_100000203788 [0,0,0,1,0,0|2,0,1]=4 3510 B10R1.17 OCCNC1CCSCC1 34a_100000748639_100000211926 [0,0,0,1,0,0|2,0,1]=4 3511 B10R1.17 OCCNC1CCSCC1 34a_100016990907_100000069128 [0,0,0,1,0,0|2,0,1]=4 3512 B10R1.17 OCCOC1C=CCCC1 34a_100011215024_100000211926 [0,0,0,1,0,0|3,0,0]=4 3513 B10R1.17 OCCOC1CCCCC1 34a_100000210231_100000211926 [0,0,0,1,0,0|1,0,1]=3 3514 B10R1.17 OCCOC1CCCCC1 7a_100000210231_100000211926 [0,0,0,1,0,0|1,0,1]=3 3515 B10R1.17 OCCOC1CCCCO1 34a_100000033831_100000211926 [0,0,0,1,0,0|2,0,1]=4 3516 B10R1.17 OCCOC1CCCOC1 34a_100000754041_100000211926 [0,0,0,1,0,0|2,0,1]=4 3517 B10R1.17 OCCOC1CCCSC1 7a_100015962668_100000211926 [0,0,0,1,0,0|2,0,1]=4 3518 B10R1.17 OCCOC1CCOCC1 34a_100000744328_100000211926 [0,0,0,1,0,0|2,0,1]=4 3519 B10R1.17 OCCOC1CCSCC1 34a_100000731022_100000211926 [0,0,0,1,0,0|2,0,1]=4 3520 B10R1.17 OCCOC1CCSCC1 7a_100000731022_100000211926 [0,0,0,1,0,0|2,0,1]=4 3521 B10R1.17 OCCSC1C=CCCC1 62a_100000211926_100000751183 [0,0,0,1,0,0|3,0,0]=4 3522 B10R1.17 OCCSC1C=CCCC1 62a_100000751183_100000211926 [0,0,0,1,0,0|3,0,0]=4 3523 B10R1.17 OCCSC1CCCCC1 62a_100000210327_100000211926 [0,0,0,1,0,0|1,0,1]=3 3524 B10R1.17 OCCSC1CCCCC1 62a_100000211926_100000210327 [0,0,0,1,0,0|1,0,1]=3 3525 B10R1.17 OCCSC1CCCOC1 62a_100000211926_100000693364 [0,0,0,1,0,0|2,0,1]=4 3526 B10R1.17 OCCSC1CCOCC1 62a_100000211926_100011324220 [0,0,0,1,0,0|2,0,1]=4 3527 B10R1.17 OCCSC1CCSCC1 62a_100000211926_100000069128 [0,0,0,1,0,0|2,0,1]=4 3528 B10R1.17 [13CH3]NCCC1CCCCO1 2230a_100015183643_200025704644 [0,0,0,1,0,0|1,0,2]=4 3529 B10R1.17 [13CH3]NCCC1CCCCO1 34a_100015183643_200025704644 [0,0,0,1,0,0|1,0,2]=4 3530 B10R1.17 [13CH3]SCCC1OCCCO1 62a_100000764188_200025704644 [0,0,0,1,0,0|2,0,1]=4 3531 B10R1.17 [13CH3]SCCC1OCCCO1 62a_200025704644_100000764188 [0,0,0,1,0,0|2,0,1]=4 3532 B10R1.20 CCN1CCCCC1CO 2230a_100000210821_100000210202 [0,0,0,1,0,0|1,0,2]=4 3533 B10R1.20 CCN1CCCCC1CO 269982a_100000210821_100000204670 [0,0,0,1,0,0|1,0,2]=4 3534 B10R1.20 CCN1CCCCC1CO 34a_100000210821_100000210202 [0,0,0,1,0,0|1,0,2]=4 3535 B10R1.20 CCN1CCOC[C@H]1CO 2230a_100000717676_100000210202 [0,0,0,1,0,0|2,0,1]=4 3536 B10R1.20 CCN1CCOC[C@H]1CO 269982a_100000717676_100000204670 [0,0,0,1,0,0|2,0,1]=4 3537 B10R1.20 CCN1CCOC[C@H]1CO 34a_100000717676_100000210202 [0,0,0,1,0,0|2,0,1]=4 3538 B10R1.20 CNC1CCCCC1CO 270004a_106832991635_100009861125 [0,0,0,1,0,0|1,0,2]=4 3539 B10R1.20 CNC1CCOCC1CO 2230a_214813039666_200000210301 [0,0,0,1,0,0|2,0,1]=4 3540 B10R1.20 CNC1CCOCC1CO 34a_214813039666_200000210301 [0,0,0,1,0,0|2,0,1]=4 3541 B10R1.20 [13CH3]NC1CCOCC1CO 2230a_214813039666_200025704644 [0,0,0,1,0,0|2,0,1]=4 3542 B10R1.20 [13CH3]NC1CCOCC1CO 34a_214813039666_200025704644 [0,0,0,1,0,0|2,0,1]=4 3543 B10R1.21 BrCCCOC1CCCC1 34a_100011217188_100000179811 [0,0,0,1,0,0|2,0,1]=4 3544 B10R1.21 BrCCOCC1CCCC1 34a_100000211926_100000740388 [0,0,0,1,0,0|2,0,1]=4 3545 B10R1.21 CCCCCN1CCCC1 2230a_100000188435_100000210326 [0,0,0,1,0,0|2,0,1]=4 3546 B10R1.21 CCCCCN1CCCC1 269982a_100000188435_100000210215 [0,0,0,1,0,0|2,0,1]=4 3547 B10R1.21 CCCCNC1CCCC1 2230a_100000102301_100000179811 [0,0,0,1,0,0|2,0,1]=4 3548 B10R1.21 CCCCNC1CCCC1 2230a_100000211070_100000210211 [0,0,0,1,0,0|2,0,1]=4 3549 B10R1.21 CCCCNC1CCCC1 270004a_100000102301_100000210133 [0,0,0,1,0,0|2,0,1]=4 3550 B10R1.21 CCCCNC1CCCC1 34a_100000211070_100000210210 [0,0,0,1,0,0|2,0,1]=4 3551 B10R1.21 CCCCNC1CCCC1 7a_106832991798_100000179811 [0,0,0,1,0,0|2,0,1]=4 3552 B10R1.21 CCCCOC1CCCC1 34a_100000210227_100000179811 [0,0,0,1,0,0|2,0,1]=4 3553 B10R1.21 CCCCOC1CCCC1 34a_100000210269_100000210210 [0,0,0,1,0,0|2,0,1]=4 3554 B10R1.21 CCCCOC1CCCC1 7a_100000210227_100000179811 [0,0,0,1,0,0|2,0,1]=4 3555 B10R1.21 CCCCOC1CCCC1 7a_100000210269_100000210211 [0,0,0,1,0,0|2,0,1]=4 3556 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [0,0,0,1,0,0|1,0,2]=4 3557 B10R1.21 CCCCSC1CCCC1 62a_100000210211_100000179811 [0,0,0,1,0,0|2,0,1]=4 3558 B10R1.21 CCCCSC1CCCC1 62a_100011217020_100000210210 [0,0,0,1,0,0|2,0,1]=4 3559 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [0,0,0,1,0,0|1,0,2]=4 3560 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [0,0,0,1,0,0|1,0,2]=4 3561 B10R1.21 CCCCSc1cnco1 62a_100000210211_100020591547 [0,0,0,1,0,0|2,0,1]=4 3562 B10R1.21 CCCCSc1cnco1 62a_100020591547_100000210210 [0,0,0,1,0,0|2,0,1]=4 3563 B10R1.21 CCCNCC1CCCC1 2230a_100000737975_100000210303 [0,0,0,1,0,0|2,0,1]=4 3564 B10R1.21 CCCNCC1CCCC1 269862a_100020643023_100000746403 [0,0,0,1,0,0|2,0,1]=4 3565 B10R1.21 CCCNCC1CCCC1 34a_100000737975_100000210303 [0,0,0,1,0,0|2,0,1]=4 3566 B10R1.21 CCCNCC1OCCO1 2230a_100000036311_100000210303 [0,0,0,1,0,0|2,0,1]=4 3567 B10R1.21 CCCNCC1OCCO1 34a_100000036311_100000210303 [0,0,0,1,0,0|2,0,1]=4 3568 B10R1.21 CCCNC[C@@H]1CCCO1 2230a_100020590478_100000210303 [0,0,0,1,0,0|1,0,2]=4 3569 B10R1.21 CCCNC[C@@H]1CCCO1 34a_100020590478_100000210303 [0,0,0,1,0,0|1,0,2]=4 3570 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [0,0,0,1,0,0|1,0,2]=4 3571 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [0,0,0,1,0,0|1,0,2]=4 3572 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [0,0,0,1,0,0|1,0,2]=4 3573 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [0,0,0,1,0,0|1,0,2]=4 3574 B10R1.21 CCCNCc1cnco1 270004a_100020643023_100000064291 [0,0,0,1,0,0|2,0,1]=4 3575 B10R1.21 CCCOCC1=NCCN1 34a_100000210258_100000737910 [0,0,0,1,0,0|3,0,0]=4 3576 B10R1.21 CCCOCC1CCCC1 34a_100000210258_100000740388 [0,0,0,1,0,0|2,0,1]=4 3577 B10R1.21 CCCOCC1CCCC1 34a_100000742336_100000210303 [0,0,0,1,0,0|2,0,1]=4 3578 B10R1.21 CCCOCC1CCCC1 7a_100000742336_100000210303 [0,0,0,1,0,0|2,0,1]=4 3579 B10R1.21 CCCOCC1CCCO1 34a_100000210270_100000210303 [0,0,0,1,0,0|1,0,2]=4 3580 B10R1.21 CCCOCC1CCCO1 7a_100000210270_100000210303 [0,0,0,1,0,0|1,0,2]=4 3581 B10R1.21 CCCOCC1OCCO1 34a_100000087154_100000210303 [0,0,0,1,0,0|2,0,1]=4 3582 B10R1.21 CCCOCC1OCCO1 34a_100000210258_100000755774 [0,0,0,1,0,0|2,0,1]=4 3583 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [0,0,0,1,0,0|1,0,2]=4 3584 B10R1.21 CCCOCc1ccno1 34a_100000740478_100000210303 [0,0,0,1,0,0|2,0,1]=4 3585 B10R1.21 CCCSCC1=NCCN1 62a_100000210303_100000737910 [0,0,0,1,0,0|3,0,0]=4 3586 B10R1.21 CCCSCC1=NCCN1 62a_100000737910_100000210303 [0,0,0,1,0,0|3,0,0]=4 3587 B10R1.21 CCCSCC1CCCC1 62a_100000210303_100000740388 [0,0,0,1,0,0|2,0,1]=4 3588 B10R1.21 CCCSCC1CCCC1 62a_100000740388_100000210303 [0,0,0,1,0,0|2,0,1]=4 3589 B10R1.21 CCCSCC1CCCO1 62a_100000203698_100000210303 [0,0,0,1,0,0|1,0,2]=4 3590 B10R1.21 CCCSCC1CCCO1 62a_100000210303_100000203698 [0,0,0,1,0,0|1,0,2]=4 3591 B10R1.21 CCCSCC1OCCO1 62a_100000210303_100000755774 [0,0,0,1,0,0|2,0,1]=4 3592 B10R1.21 CCCSCC1OCCO1 62a_100000755774_100000210303 [0,0,0,1,0,0|2,0,1]=4 3593 B10R1.21 CCNCCC1OCCO1 2230a_100000034215_100000210202 [0,0,0,1,0,0|2,0,1]=4 3594 B10R1.21 CCNCCC1OCCO1 2230a_100015525214_100000740749 [0,0,0,1,0,0|2,0,1]=4 3595 B10R1.21 CCNCCC1OCCO1 34a_100000034215_100000210202 [0,0,0,1,0,0|2,0,1]=4 3596 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [0,0,0,1,0,0|1,0,2]=4 3597 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [0,0,0,1,0,0|1,0,2]=4 3598 B10R1.21 CCNN=CC1CCCC1 4a_100000756455_100000746403 [0,0,0,1,0,0|3,0,0]=4 3599 B10R1.21 CCOCCC1OCCO1 34a_100121572206_100000740749 [0,0,0,1,0,0|2,0,1]=4 3600 B10R1.21 CCSCCC1OCCO1 62a_100000210202_100000740749 [0,0,0,1,0,0|2,0,1]=4 3601 B10R1.21 CNCCCC1OCCO1 2230a_106832991635_100000042513 [0,0,0,1,0,0|2,0,1]=4 3602 B10R1.21 CNCCCC1OCCO1 34a_100102657272_100009861162 [0,0,0,1,0,0|2,0,1]=4 3603 B10R1.21 CNCCCC1OCCO1 7a_106832991635_100000042513 [0,0,0,1,0,0|2,0,1]=4 3604 B10R1.21 COCCCC1OCCO1 34a_100009871617_200000210301 [0,0,0,1,0,0|2,0,1]=4 3605 B10R1.21 COCCCC1OCCO1 34a_100138415774_100009861162 [0,0,0,1,0,0|2,0,1]=4 3606 B10R1.21 COCCCC1OCCO1 7a_100009871617_200000210301 [0,0,0,1,0,0|2,0,1]=4 3607 B10R1.21 CSCCCC1OCCO1 62a_200000210301_100000042513 [0,0,0,1,0,0|2,0,1]=4 3608 B10R1.21 ClCCCOC1CCCC1 34a_100000230001_100000179811 [0,0,0,1,0,0|2,0,1]=4 3609 B10R1.21 FCCCNC1CCCC1 2230a_100000211070_100011934791 [0,0,0,1,0,0|2,0,1]=4 3610 B10R1.21 FCCCNC1CCCC1 2230a_100015189416_100000179811 [0,0,0,1,0,0|2,0,1]=4 3611 B10R1.21 FCCCNC1CCCC1 270004a_100015189416_100000210133 [0,0,0,1,0,0|2,0,1]=4 3612 B10R1.21 FCCCNC1CCCC1 34a_100000211070_100011934791 [0,0,0,1,0,0|2,0,1]=4 3613 B10R1.21 FCCCNC1CCCC1 34a_100015189416_100000179811 [0,0,0,1,0,0|2,0,1]=4 3614 B10R1.21 FCCCOC1CCCC1 34a_100000210269_100011934791 [0,0,0,1,0,0|2,0,1]=4 3615 B10R1.21 FCCCOC1CCCC1 34a_100000759539_100000179811 [0,0,0,1,0,0|2,0,1]=4 3616 B10R1.21 FCCCOC1CCCC1 7a_100000210269_100011934791 [0,0,0,1,0,0|2,0,1]=4 3617 B10R1.21 FCCCSC1CCCC1 62a_100011217020_100011934791 [0,0,0,1,0,0|2,0,1]=4 3618 B10R1.21 FCCCSC1CCCC1 62a_100011934791_100000179811 [0,0,0,1,0,0|2,0,1]=4 3619 B10R1.21 FCCNCC1CCCC1 2230a_100000737975_100011217306 [0,0,0,1,0,0|2,0,1]=4 3620 B10R1.21 FCCNCC1CCCC1 269862a_100000724931_100000746403 [0,0,0,1,0,0|2,0,1]=4 3621 B10R1.21 FCCNCC1CCCC1 34a_100000724931_100000740388 [0,0,0,1,0,0|2,0,1]=4 3622 B10R1.21 FCCNCC1CCCC1 34a_100000737975_100011217306 [0,0,0,1,0,0|2,0,1]=4 3623 B10R1.21 FCCOCC1CCCC1 34a_100000742336_100011217306 [0,0,0,1,0,0|2,0,1]=4 3624 B10R1.21 FCCOCC1CCCC1 7a_100000742336_100011217306 [0,0,0,1,0,0|2,0,1]=4 3625 B10R1.21 FCCSCC1CCCC1 62a_100000740388_100011217306 [0,0,0,1,0,0|2,0,1]=4 3626 B10R1.21 FCCSCC1CCCC1 62a_100011217306_100000740388 [0,0,0,1,0,0|2,0,1]=4 3627 B10R1.21 NCCCOC1CCCC1 34a_100000182051_100000179811 [0,0,0,1,0,0|2,0,1]=4 3628 B10R1.21 NCCOCC1CCCC1 34a_100000210304_100000740388 [0,0,0,1,0,0|2,0,1]=4 3629 B10R1.21 OCCCCN1CCCC1 2230a_100000188435_100000210776 [0,0,0,1,0,0|1,0,2]=4 3630 B10R1.21 OCCCCN1CCCC1 269982a_100000188435_100000210776 [0,0,0,1,0,0|1,0,2]=4 3631 B10R1.21 OCCCNC1CCCC1 2230a_100000211070_100000230001 [0,0,0,1,0,0|1,0,1]=3 3632 B10R1.21 OCCCNC1CCCC1 270004a_100000182051_100000210133 [0,0,0,1,0,0|1,0,1]=3 3633 B10R1.21 OCCCNC1CCCC1 34a_100000211070_100000230001 [0,0,0,1,0,0|1,0,1]=3 3634 B10R1.21 OCCCNC1CCOC1 270004a_100000182051_100000752484 [0,0,0,1,0,0|2,0,1]=4 3635 B10R1.21 OCCCNC1CCSC1 270004a_100000182051_100000212027 [0,0,0,1,0,0|2,0,1]=4 3636 B10R1.21 OCCCN[C@@H]1CCOC1 2230a_200015188469_100000230001 [0,0,0,1,0,0|2,0,1]=4 3637 B10R1.21 OCCCN[C@H]1CCOC1 2230a_100015188467_100000230001 [0,0,0,1,0,0|2,0,1]=4 3638 B10R1.21 OCCCN[C@H]1CCOC1 34a_100015188467_100000230001 [0,0,0,1,0,0|2,0,1]=4 3639 B10R1.21 OCCCOC1CCCC1 34a_100000210269_100000230001 [0,0,0,1,0,0|1,0,1]=3 3640 B10R1.21 OCCCOC1CCCC1 7a_100000210269_100011215043 [0,0,0,1,0,0|1,0,1]=3 3641 B10R1.21 OCCCOC1CCCO1 34a_100000085407_100000230001 [0,0,0,1,0,0|2,0,1]=4 3642 B10R1.21 OCCCOC1CCSC1 7a_100011232664_100011215043 [0,0,0,1,0,0|2,0,1]=4 3643 B10R1.21 OCCCO[C@H]1CCOC1 34a_100000717292_100000230001 [0,0,0,1,0,0|2,0,1]=4 3644 B10R1.21 OCCCSC1CCCC1 62a_100011215043_100000179811 [0,0,0,1,0,0|1,0,1]=3 3645 B10R1.21 OCCCSC1CCCC1 62a_100011217020_100011215043 [0,0,0,1,0,0|1,0,1]=3 3646 B10R1.21 OCCCSC1CCOC1 62a_100011215043_100000690089 [0,0,0,1,0,0|2,0,1]=4 3647 B10R1.21 OCCNCC1CCCC1 2230a_100000737975_100000211926 [0,0,0,1,0,0|1,0,1]=3 3648 B10R1.21 OCCNCC1CCCC1 2230a_100016997473_100000740388 [0,0,0,1,0,0|1,0,1]=3 3649 B10R1.21 OCCNCC1CCCC1 269862a_100000210304_100000746403 [0,0,0,1,0,0|1,0,1]=3 3650 B10R1.21 OCCNCC1CCCC1 34a_100000737975_100000211926 [0,0,0,1,0,0|1,0,1]=3 3651 B10R1.21 OCCNCC1CCCC1 34a_100016990907_100000740388 [0,0,0,1,0,0|1,0,1]=3 3652 B10R1.21 OCCNCC1CCCO1 2230a_100016997473_100000203698 [0,0,0,1,0,0|2,0,1]=4 3653 B10R1.21 OCCNCC1CCOC1 2230a_100000737293_100000211926 [0,0,0,1,0,0|2,0,1]=4 3654 B10R1.21 OCCNCC1CCOC1 2230a_100016997473_100000702531 [0,0,0,1,0,0|2,0,1]=4 3655 B10R1.21 OCCNCC1CCOC1 34a_100000737293_100000211926 [0,0,0,1,0,0|2,0,1]=4 3656 B10R1.21 OCCNCC1CCOC1 34a_100016990907_100011261433 [0,0,0,1,0,0|2,0,1]=4 3657 B10R1.21 OCCNC[C@@H]1CCCO1 2230a_100020590478_100000211926 [0,0,0,1,0,0|2,0,1]=4 3658 B10R1.21 OCCNC[C@@H]1CCCO1 34a_100020590478_100000211926 [0,0,0,1,0,0|2,0,1]=4 3659 B10R1.21 OCCNN=C1CCCC1 4a_100000210001_100000210133 [0,0,0,1,0,0|2,0,1]=4 3660 B10R1.21 OCCOCC1CCCC1 34a_100000742336_100000211926 [0,0,0,1,0,0|1,0,1]=3 3661 B10R1.21 OCCOCC1CCCC1 7a_100000742336_100000211926 [0,0,0,1,0,0|1,0,1]=3 3662 B10R1.21 OCCOCC1CCCO1 34a_100000210270_100000211926 [0,0,0,1,0,0|2,0,1]=4 3663 B10R1.21 OCCOCC1CCCO1 7a_100000210270_100000211926 [0,0,0,1,0,0|2,0,1]=4 3664 B10R1.21 OCCOCC1CCNC1 34a_100000748654_100000211926 [0,0,0,1,0,0|2,0,1]=4 3665 B10R1.21 OCCOCC1CCOC1 34a_100000740260_100000211926 [0,0,0,1,0,0|2,0,1]=4 3666 B10R1.21 OCCOC[C@H]1CCCN1 34a_100000745186_100000211926 [0,0,0,1,0,0|2,0,1]=4 3667 B10R1.21 OCCSCC1CCCC1 62a_100000211926_100000740388 [0,0,0,1,0,0|1,0,1]=3 3668 B10R1.21 OCCSCC1CCCC1 62a_100000740388_100000211926 [0,0,0,1,0,0|1,0,1]=3 3669 B10R1.21 OCCSCC1CCCO1 62a_100000203698_100000211926 [0,0,0,1,0,0|2,0,1]=4 3670 B10R1.21 OCCSCC1CCCO1 62a_100000211926_100000203698 [0,0,0,1,0,0|2,0,1]=4 3671 B10R1.21 OCCSCC1CCOC1 62a_100000211926_100000702531 [0,0,0,1,0,0|2,0,1]=4 3672 B10R1.21 OCCSCC1CCOC1 62a_100000702531_100000211926 [0,0,0,1,0,0|2,0,1]=4 3673 B10R1.21 [13CH3]OCCCC1OCCO1 34a_100009871617_200025704644 [0,0,0,1,0,0|2,0,1]=4 3674 B10R1.21 [13CH3]OCCCC1OCCO1 7a_100009871617_200025704644 [0,0,0,1,0,0|2,0,1]=4 3675 B10R1.21 [13CH3]SCCCC1OCCO1 62a_200025704644_100000042513 [0,0,0,1,0,0|2,0,1]=4 3676 B10R1.29 CC1CCCC1NCCF 269862a_100000724931_100000752053 [0,0,0,1,0,0|2,0,1]=4 3677 B10R1.29 CC1CCCC1NCCO 269862a_100000210304_100000752053 [0,0,0,1,0,0|1,0,1]=3 3678 B10R1.29 CC1CCCC1OCCF 34a_100011216460_100011217306 [0,0,0,1,0,0|2,0,1]=4 3679 B10R1.29 CC1CCCC1OCCF 7a_100011216460_100011217306 [0,0,0,1,0,0|2,0,1]=4 3680 B10R1.29 CC1CCCC1OCCO 34a_100011216460_100000211926 [0,0,0,1,0,0|1,0,1]=3 3681 B10R1.29 CC1CCCC1OCCO 7a_100011216460_100000211926 [0,0,0,1,0,0|1,0,1]=3 3682 B10R1.29 CC1OCCC1NCCO 270004a_100000210304_100000691750 [0,0,0,1,0,0|2,0,1]=4 3683 B10R1.29 CC1SCCN1CCCO 2230a_200011216479_100000230001 [0,0,0,1,0,0|2,0,1]=4 3684 B10R1.29 CC1SCCN1CCCO 269982a_200011216479_100011215043 [0,0,0,1,0,0|2,0,1]=4 3685 B10R1.29 CC1SCCN1CCCO 34a_200011216479_100000230001 [0,0,0,1,0,0|2,0,1]=4 3686 B10R1.29 CCCCC1C=CCN1C 2230a_100015184376_200000210301 [0,0,0,1,0,0|2,0,0]=3 3687 B10R1.29 CCCCC1C=CCN1C 269982a_100015184376_200000210301 [0,0,0,1,0,0|2,0,0]=3 3688 B10R1.29 CCCCC1C=CCN1C 34a_100015184376_200000210301 [0,0,0,1,0,0|2,0,0]=3 3689 B10R1.29 CCCCC1C=CCN1[13CH3] 2230a_100015184376_200025704644 [0,0,0,1,0,0|2,0,0]=3 3690 B10R1.29 CCCCC1C=CCN1[13CH3] 269982a_100015184376_200025704644 [0,0,0,1,0,0|2,0,0]=3 3691 B10R1.29 CCCCC1C=CCN1[13CH3] 34a_100015184376_200025704644 [0,0,0,1,0,0|2,0,0]=3 3692 B10R1.29 CCCCN1CCC[C@@H]1C 2230a_100020605311_100000210211 [0,0,0,1,0,0|2,0,1]=4 3693 B10R1.29 CCCCN1CCC[C@@H]1C 269982a_100020605311_100000210211 [0,0,0,1,0,0|2,0,1]=4 3694 B10R1.29 CCCCN1CCC[C@H]1C 2230a_100015189458_100000210211 [0,0,0,1,0,0|2,0,1]=4 3695 B10R1.29 CCCCN1CCC[C@H]1C 269982a_100015189458_100000210211 [0,0,0,1,0,0|2,0,1]=4 3696 B10R1.29 CCCCN1CCC[C@H]1C 34a_100015189458_100000210210 [0,0,0,1,0,0|2,0,1]=4 3697 B10R1.29 CCCCc1ccsc1O 271570a_203496583355_100010071534 [0,0,0,1,0,0|1,0,2]=4 3698 B10R1.29 CCCNC1CCCC1C 269862a_100020643023_100000752053 [0,0,0,1,0,0|2,0,1]=4 3699 B10R1.29 CCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210303 [0,0,0,1,0,0|2,0,1]=4 3700 B10R1.29 CCCOC1CCCC1C 34a_100011216460_100000210303 [0,0,0,1,0,0|2,0,1]=4 3701 B10R1.29 CCCOC1CCCC1C 7a_100011216460_100000210303 [0,0,0,1,0,0|2,0,1]=4 3702 B10R1.29 CCCOC1COCC1O 34a_100000210258_200000725654 [0,0,0,1,0,0|2,0,1]=4 3703 B10R1.29 CCCSC1COCC1O 62a_100000210303_200000725654 [0,0,0,1,0,0|2,0,1]=4 3704 B10R1.29 CCCSC1COCC1O 62a_200000725654_100000210303 [0,0,0,1,0,0|2,0,1]=4 3705 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_100000210303_200016002552 [0,0,0,1,0,0|1,0,2]=4 3706 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210303 [0,0,0,1,0,0|1,0,2]=4 3707 B10R1.29 CCNN=C1CCCC1C 4a_100000756455_100000752053 [0,0,0,1,0,0|3,0,0]=4 3708 B10R1.29 C[C@@H]1CCCN1CCCF 2230a_100015189458_100011934791 [0,0,0,1,0,0|2,0,1]=4 3709 B10R1.29 C[C@@H]1CCCN1CCCF 269982a_100015189458_100011934791 [0,0,0,1,0,0|2,0,1]=4 3710 B10R1.29 C[C@@H]1CCCN1CCCF 34a_100015189458_100011934791 [0,0,0,1,0,0|2,0,1]=4 3711 B10R1.29 C[C@@H]1CCCN1CCCO 2230a_100015189458_100000230001 [0,0,0,1,0,0|1,0,1]=3 3712 B10R1.29 C[C@@H]1CCCN1CCCO 269982a_100015189458_100011215043 [0,0,0,1,0,0|1,0,1]=3 3713 B10R1.29 C[C@@H]1CCCN1CCCO 34a_100015189458_100000230001 [0,0,0,1,0,0|1,0,1]=3 3714 B10R1.29 C[C@@H]1CNC[C@@H]1OCCO 34a_200015306588_100000211926 [0,0,0,1,0,0|2,0,1]=4 3715 B10R1.29 C[C@H]1CCCN1CCCF 2230a_100020605311_100011934791 [0,0,0,1,0,0|2,0,1]=4 3716 B10R1.29 C[C@H]1CCCN1CCCF 269982a_100020605311_100011934791 [0,0,0,1,0,0|2,0,1]=4 3717 B10R1.29 C[C@H]1CCCN1CCCO 2230a_100020605311_100000230001 [0,0,0,1,0,0|1,0,1]=3 3718 B10R1.29 C[C@H]1CCCN1CCCO 269982a_100020605311_100011215043 [0,0,0,1,0,0|1,0,1]=3 3719 B10R1.29 N[C@H]1CCC[C@@H]1OCCO 34a_100000748460_100000211926 [0,0,0,1,0,0|2,0,1]=4 3720 B10R1.29 OCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000211926 [0,0,0,1,0,0|2,0,1]=4 3721 B10R1.29 OCCS[C@@H]1CCC[C@H]1O 62a_100000211926_200016002552 [0,0,0,1,0,0|2,0,1]=4 3722 B10R1.29 OCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000211926 [0,0,0,1,0,0|2,0,1]=4 3723 B10R1.37 CC1CCN1CCCCO 269982a_100000755817_100000210776 [0,0,0,1,0,0|1,0,2]=4 3724 B10R1.37 CC1CCN1CCCCO 34a_100000755817_100011216708 [0,0,0,1,0,0|1,0,2]=4 3725 B10R1.37 CCCCCN1CCC1C 269982a_100000755817_100000210215 [0,0,0,1,0,0|2,0,1]=4 3726 B10R1.37 CCCCCN1CCC1C 34a_100000755817_100000718602 [0,0,0,1,0,0|2,0,1]=4 3727 B10R1.56 CC1CC1COCCCF 34a_100000744939_100011934791 [0,0,0,1,0,0|2,0,1]=4 3728 B10R1.56 CC1CC1COCCCF 7a_100000744939_100011934791 [0,0,0,1,0,0|2,0,1]=4 3729 B10R1.56 CC1CC1COCCCO 34a_100000744939_100000230001 [0,0,0,1,0,0|1,0,1]=3 3730 B10R1.56 CC1CC1COCCCO 7a_100000744939_100011215043 [0,0,0,1,0,0|1,0,1]=3 3731 B10R1.56 CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210326 [0,0,0,1,0,0|2,0,1]=4 3732 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210326 [0,0,0,1,0,0|2,0,1]=4 3733 B10R1.56 CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000718602 [0,0,0,1,0,0|2,0,1]=4 3734 B10R1.56 CCCCOCC1CC1C 34a_100000744939_100000210210 [0,0,0,1,0,0|2,0,1]=4 3735 B10R1.56 CCCCOCC1CC1C 7a_100000744939_100000210211 [0,0,0,1,0,0|2,0,1]=4 3736 B10R1.57 BrCCCOCC1CCC1 34a_100011217188_100000763275 [0,0,0,1,0,0|2,0,1]=4 3737 B10R1.57 CCCC=NNC1CCC1 4a_100000736358_100000185831 [0,0,0,1,0,0|3,0,0]=4 3738 B10R1.57 CCCCCCN1CCC1 269982a_100000754969_100000210757 [0,0,0,1,0,0|2,0,1]=4 3739 B10R1.57 CCCCCNC1CCC1 2230a_100000749019_100000210326 [0,0,0,1,0,0|2,0,1]=4 3740 B10R1.57 CCCCCNC1CCC1 270004a_100000209983_100000241760 [0,0,0,1,0,0|2,0,1]=4 3741 B10R1.57 CCCCCNC1CCC1 34a_100000749019_100000718602 [0,0,0,1,0,0|2,0,1]=4 3742 B10R1.57 CCCCCOC1CCC1 34a_100000210253_100000749161 [0,0,0,1,0,0|2,0,1]=4 3743 B10R1.57 CCCCCOC1CCC1 34a_100000748187_100000718602 [0,0,0,1,0,0|2,0,1]=4 3744 B10R1.57 CCCCCSC1CCC1 62a_100000210326_100000749161 [0,0,0,1,0,0|2,0,1]=4 3745 B10R1.57 CCCCNCC1CCC1 2230a_100000102301_100000763275 [0,0,0,1,0,0|2,0,1]=4 3746 B10R1.57 CCCCNCC1CCC1 2230a_100000738700_100000210211 [0,0,0,1,0,0|2,0,1]=4 3747 B10R1.57 CCCCNCC1CCC1 269862a_100000102301_100000753134 [0,0,0,1,0,0|2,0,1]=4 3748 B10R1.57 CCCCNCC1CCC1 34a_100000738700_100000210210 [0,0,0,1,0,0|2,0,1]=4 3749 B10R1.57 CCCCNCC1CCC1 7a_106832991798_100000763275 [0,0,0,1,0,0|2,0,1]=4 3750 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [0,0,0,1,0,0|1,0,2]=4 3751 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [0,0,0,1,0,0|1,0,2]=4 3752 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [0,0,0,1,0,0|1,0,2]=4 3753 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [0,0,0,1,0,0|1,0,2]=4 3754 B10R1.57 CCCCNN=C1CCC1 4a_100025702795_100000241760 [0,0,0,1,0,0|3,0,0]=4 3755 B10R1.57 CCCCOCC1CCC1 34a_100000210227_100000763275 [0,0,0,1,0,0|2,0,1]=4 3756 B10R1.57 CCCCOCC1CCC1 34a_100000760304_100000210210 [0,0,0,1,0,0|2,0,1]=4 3757 B10R1.57 CCCCOCC1CCC1 7a_100000210227_100000763275 [0,0,0,1,0,0|2,0,1]=4 3758 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [0,0,0,1,0,0|1,0,2]=4 3759 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [0,0,0,1,0,0|1,0,2]=4 3760 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [0,0,0,1,0,0|1,0,2]=4 3761 B10R1.57 CCCCSCC1CCC1 62a_100000210211_100000763275 [0,0,0,1,0,0|2,0,1]=4 3762 B10R1.57 CCCCSCC1CCC1 62a_100000763275_100000210210 [0,0,0,1,0,0|2,0,1]=4 3763 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [0,0,0,1,0,0|1,0,2]=4 3764 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [0,0,0,1,0,0|1,0,2]=4 3765 B10R1.57 ClCCCOCC1CCC1 34a_100000230001_100000763275 [0,0,0,1,0,0|2,0,1]=4 3766 B10R1.57 FCCCNCC1CCC1 2230a_100000738700_100011934791 [0,0,0,1,0,0|2,0,1]=4 3767 B10R1.57 FCCCNCC1CCC1 2230a_100015189416_100000763275 [0,0,0,1,0,0|2,0,1]=4 3768 B10R1.57 FCCCNCC1CCC1 269862a_100015189416_100000753134 [0,0,0,1,0,0|2,0,1]=4 3769 B10R1.57 FCCCNCC1CCC1 34a_100000738700_100011934791 [0,0,0,1,0,0|2,0,1]=4 3770 B10R1.57 FCCCNCC1CCC1 34a_100015189416_100000763275 [0,0,0,1,0,0|2,0,1]=4 3771 B10R1.57 FCCCOCC1CCC1 34a_100000759539_100000763275 [0,0,0,1,0,0|2,0,1]=4 3772 B10R1.57 FCCCOCC1CCC1 34a_100000760304_100011934791 [0,0,0,1,0,0|2,0,1]=4 3773 B10R1.57 FCCCSCC1CCC1 62a_100000763275_100011934791 [0,0,0,1,0,0|2,0,1]=4 3774 B10R1.57 FCCCSCC1CCC1 62a_100011934791_100000763275 [0,0,0,1,0,0|2,0,1]=4 3775 B10R1.57 NCCCOCC1CCC1 34a_100000182051_100000763275 [0,0,0,1,0,0|2,0,1]=4 3776 B10R1.57 OCCCCCN1CCC1 269982a_100000754969_100000746330 [0,0,0,1,0,0|1,0,2]=4 3777 B10R1.57 OCCCCNC1CCC1 2230a_100000749019_100000210776 [0,0,0,1,0,0|1,0,2]=4 3778 B10R1.57 OCCCCNC1CCC1 270004a_100000750430_100000241760 [0,0,0,1,0,0|1,0,2]=4 3779 B10R1.57 OCCCCNC1CCC1 34a_100000749019_100011216708 [0,0,0,1,0,0|1,0,2]=4 3780 B10R1.57 OCCCCNC1CCC1 34a_100000750430_100000749161 [0,0,0,1,0,0|1,0,2]=4 3781 B10R1.57 OCCCCOC1CCC1 34a_100000748187_100011216708 [0,0,0,1,0,0|1,0,2]=4 3782 B10R1.57 OCCCCSC1CCC1 62a_100000210776_100000749161 [0,0,0,1,0,0|1,0,2]=4 3783 B10R1.57 OCCCNCC1CCC1 2230a_100000738700_100000230001 [0,0,0,1,0,0|1,0,1]=3 3784 B10R1.57 OCCCNCC1CCC1 269862a_100000182051_100000753134 [0,0,0,1,0,0|1,0,1]=3 3785 B10R1.57 OCCCNCC1CCC1 34a_100000738700_100000230001 [0,0,0,1,0,0|1,0,1]=3 3786 B10R1.57 OCCCNCC1COC1 2230a_100015281925_100000230001 [0,0,0,1,0,0|2,0,1]=4 3787 B10R1.57 OCCCNCC1COC1 34a_100015281925_100000230001 [0,0,0,1,0,0|2,0,1]=4 3788 B10R1.57 OCCCNC[C@@H]1CCO1 2230a_100020831831_100000230001 [0,0,0,1,0,0|2,0,1]=4 3789 B10R1.57 OCCCNC[C@@H]1CCO1 34a_100020831831_100000230001 [0,0,0,1,0,0|2,0,1]=4 3790 B10R1.57 OCCCOCC1CCC1 34a_100000760304_100000230001 [0,0,0,1,0,0|1,0,1]=3 3791 B10R1.57 OCCCOCC1CCO1 34a_100000039022_100000230001 [0,0,0,1,0,0|2,0,1]=4 3792 B10R1.57 OCCCOCC1CNC1 34a_100016987283_100000230001 [0,0,0,1,0,0|2,0,1]=4 3793 B10R1.57 OCCCOCC1COC1 34a_100000060846_100000230001 [0,0,0,1,0,0|2,0,1]=4 3794 B10R1.57 OCCCSCC1CCC1 62a_100000763275_100011215043 [0,0,0,1,0,0|1,0,1]=3 3795 B10R1.57 OCCCSCC1CCC1 62a_100011215043_100000763275 [0,0,0,1,0,0|1,0,1]=3 3796 B10R1.57 OCCCSCC1CCO1 62a_100000103362_100011215043 [0,0,0,1,0,0|2,0,1]=4 3797 B10R1.57 OCCCSCC1CCO1 62a_100011215043_100000103362 [0,0,0,1,0,0|2,0,1]=4 3798 B10R1.57 OCCCSCC1COC1 62a_100010264016_100011215043 [0,0,0,1,0,0|2,0,1]=4 3799 B10R1.57 OCCCSCC1COC1 62a_100011215043_100010264016 [0,0,0,1,0,0|2,0,1]=4 3800 B10R1.57 OCCNN=CC1CCC1 4a_100000210001_100000753134 [0,0,0,1,0,0|2,0,1]=4 3801 B10R1.57 OCCOCCC1COC1 34a_100009855314_100000211926 [0,0,0,1,0,0|2,0,1]=4 3802 B10R1.57 OCCOCCN1CCC1 269982a_100000754969_100011215305 [0,0,0,1,0,0|2,0,1]=4 3803 B10R1.85 CCCN1CCCCCC1 2230a_100000185865_100000210303 [0,0,0,1,0,0|2,0,1]=4 3804 B10R1.85 CCCN1CCCCCC1 269982a_100000185865_100000210303 [0,0,0,1,0,0|2,0,1]=4 3805 B10R1.85 CCCN1CCCCCC1 34a_100000185865_100000210303 [0,0,0,1,0,0|2,0,1]=4 3806 B10R1.85 FCCN1CCCCCC1 2230a_100000185865_100011217306 [0,0,0,1,0,0|2,0,1]=4 3807 B10R1.85 FCCN1CCCCCC1 269982a_100000185865_100011217306 [0,0,0,1,0,0|2,0,1]=4 3808 B10R1.85 FCCN1CCCCCC1 34a_100000185865_100011217306 [0,0,0,1,0,0|2,0,1]=4 3809 B10R1.85 OCCN1CCCCCC1 2230a_100000185865_100000211926 [0,0,0,1,0,0|1,0,1]=3 3810 B10R1.85 OCCN1CCCCCC1 269982a_100000185865_100000211926 [0,0,0,1,0,0|1,0,1]=3 3811 B10R1.85 OCCN1CCCCCC1 34a_100000185865_100000211926 [0,0,0,1,0,0|1,0,1]=3 3812 B10R1.85 OCCN1CCCOCC1 2230a_100000685342_100000211926 [0,0,0,1,0,0|2,0,1]=4 3813 B10R1.85 OCCN1CCCOCC1 269982a_100000685342_100000211926 [0,0,0,1,0,0|2,0,1]=4 3814 B10R1.85 OCCN1CCCOCC1 34a_100000685342_100000211926 [0,0,0,1,0,0|2,0,1]=4 3815 B10R1.132 COCC1CCN1CCO 2230a_100015195929_100000211926 [0,0,0,1,0,0|2,0,1]=4 3816 B10R1.132 COCC1CCN1CCO 269982a_100015195929_100000211926 [0,0,0,1,0,0|2,0,1]=4 3817 B10R1.132 COCC1CCN1CCO 34a_100015195929_100000211926 [0,0,0,1,0,0|2,0,1]=4 3818 B10R1.161 CNC1CC/C=C\CCC1 34a_100102657272_100021000466 [0,0,0,1,0,0|2,0,0]=3 3819 B10R1.161 CNC1CC/C=C\CCC1 7a_106832991635_100021000466 [0,0,0,1,0,0|2,0,0]=3 3820 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [0,0,0,1,0,0|2,0,0]=3 3821 B10R1.161 COC1CC/C=C\CCC1 34a_100016989180_200000210301 [0,0,0,1,0,0|2,0,0]=3 3822 B10R1.161 COC1CC/C=C\CCC1 34a_100138415774_100021000466 [0,0,0,1,0,0|2,0,0]=3 3823 B10R1.161 CSC1CC/C=C\CCC1 62a_100021000466_200000210301 [0,0,0,1,0,0|2,0,0]=3 3824 B10R1.161 CSC1CC/C=C\CCC1 62a_200000210301_100021000466 [0,0,0,1,0,0|2,0,0]=3 3825 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [0,0,0,1,0,0|2,0,0]=3 3826 B10R1.161 [13CH3]OC1CC/C=C\CCC1 34a_100016989180_200025704644 [0,0,0,1,0,0|2,0,0]=3 3827 B10R1.161 [13CH3]SC1CC/C=C\CCC1 62a_100021000466_200025704644 [0,0,0,1,0,0|2,0,0]=3 3828 B10R1.161 [13CH3]SC1CC/C=C\CCC1 62a_200025704644_100021000466 [0,0,0,1,0,0|2,0,0]=3 3829 B10R1.177 BrCCCCOCC1CO1 34a_100011216708_102125554688 [0,0,0,1,0,0|2,0,1]=4 3830 B10R1.177 BrCCCOCCC1CC1 34a_100011217188_100000694398 [0,0,0,1,0,0|2,0,1]=4 3831 B10R1.177 CCC/C=C/COC1CC1 34a_100016278788_100000211595 [0,0,0,1,0,0|2,0,0]=3 3832 B10R1.177 CCCC=NNCC1CC1 4a_100000736359_100000185831 [0,0,0,1,0,0|3,0,0]=4 3833 B10R1.177 CCCCCCNC1CC1 34a_100000212008_100000210314 [0,0,0,1,0,0|2,0,1]=4 3834 B10R1.177 CCCCCCOC1CC1 34a_100000210259_100000211595 [0,0,0,1,0,0|2,0,1]=4 3835 B10R1.177 CCCCCCSC1CC1 62a_100000210314_100000211595 [0,0,0,1,0,0|2,0,1]=4 3836 B10R1.177 CCCCCNCC1CC1 2230a_100000209983_100000742324 [0,0,0,1,0,0|2,0,1]=4 3837 B10R1.177 CCCCCNCC1CC1 2230a_100000735609_100000210326 [0,0,0,1,0,0|2,0,1]=4 3838 B10R1.177 CCCCCNCC1CC1 269862a_100000209983_100000741477 [0,0,0,1,0,0|2,0,1]=4 3839 B10R1.177 CCCCCNCC1CC1 34a_100000735609_100000718602 [0,0,0,1,0,0|2,0,1]=4 3840 B10R1.177 CCCCCNCC1CO1 2230a_100000209983_100011216344 [0,0,0,1,0,0|1,0,1]=3 3841 B10R1.177 CCCCCOCC1CC1 34a_100000210253_100000742324 [0,0,0,1,0,0|2,0,1]=4 3842 B10R1.177 CCCCCOCC1CC1 34a_100000211283_100000718602 [0,0,0,1,0,0|2,0,1]=4 3843 B10R1.177 CCCCCOCC1CC1 7a_100000210253_100000742324 [0,0,0,1,0,0|2,0,1]=4 3844 B10R1.177 CCCCCOCC1CO1 34a_100000210253_102125554688 [0,0,0,1,0,0|1,0,1]=3 3845 B10R1.177 CCCCCOCC1CO1 7a_100000210253_102125554688 [0,0,0,1,0,0|1,0,1]=3 3846 B10R1.177 CCCCCOCC1CS1 7a_100000210253_100000031435 [0,0,0,1,0,0|1,1,1]=4 3847 B10R1.177 CCCCCOC[C@@H]1CO1 34a_100000757423_100000718602 [0,0,0,1,0,0|1,0,1]=3 3848 B10R1.177 CCCCCOC[C@@H]1CO1 7a_100000210253_100000745022 [0,0,0,1,0,0|1,0,1]=3 3849 B10R1.177 CCCCCSCC1CC1 62a_100000210326_100000742324 [0,0,0,1,0,0|2,0,1]=4 3850 B10R1.177 CCCCCSCC1CC1 62a_100000756562_100000210326 [0,0,0,1,0,0|2,0,1]=4 3851 B10R1.177 CCCCCSCC1CO1 62a_100000210326_102125554688 [0,0,0,1,0,0|1,0,1]=3 3852 B10R1.177 CCCCCSCC1CO1 62a_102125554688_100000210326 [0,0,0,1,0,0|1,0,1]=3 3853 B10R1.177 CCCCCSCC1CS1 62a_100000031435_100000210326 [0,0,0,1,0,0|1,1,1]=4 3854 B10R1.177 CCCCCSCC1CS1 62a_100000210326_100000031435 [0,0,0,1,0,0|1,1,1]=4 3855 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000210326_100000745022 [0,0,0,1,0,0|1,0,1]=3 3856 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000745022_100000210326 [0,0,0,1,0,0|1,0,1]=3 3857 B10R1.177 CCCCNCCC1CC1 2230a_100000102301_100000694398 [0,0,0,1,0,0|2,0,1]=4 3858 B10R1.177 CCCCNCCC1CC1 34a_100000764129_100000210210 [0,0,0,1,0,0|2,0,1]=4 3859 B10R1.177 CCCCNCCC1CC1 7a_106832991798_100000764125 [0,0,0,1,0,0|2,0,1]=4 3860 B10R1.177 CCCCNCCC1CO1 2230a_100000102301_100000732470 [0,0,0,1,0,0|1,0,2]=4 3861 B10R1.177 CCCCNCCC1CO1 7a_106832991798_100000732470 [0,0,0,1,0,0|1,0,2]=4 3862 B10R1.177 CCCCNN=CC1CC1 4a_100025702795_100000741477 [0,0,0,1,0,0|3,0,0]=4 3863 B10R1.177 CCCCOCCC1CC1 34a_100000210227_100000694398 [0,0,0,1,0,0|2,0,1]=4 3864 B10R1.177 CCCCOCCC1CC1 34a_100000754188_100000210210 [0,0,0,1,0,0|2,0,1]=4 3865 B10R1.177 CCCCOCCC1CC1 7a_100000210227_100000764125 [0,0,0,1,0,0|2,0,1]=4 3866 B10R1.177 CCCCOCCC1CC1 7a_100000754188_100000210211 [0,0,0,1,0,0|2,0,1]=4 3867 B10R1.177 CCCCOCCC1CO1 34a_100000210227_100000732470 [0,0,0,1,0,0|1,0,2]=4 3868 B10R1.177 CCCCOCCC1CO1 7a_100000210227_100000732470 [0,0,0,1,0,0|1,0,2]=4 3869 B10R1.177 CCCCOCC[C@@H]1CO1 34a_100009820653_100000210210 [0,0,0,1,0,0|1,0,2]=4 3870 B10R1.177 CCCCSCCC1CC1 62a_100000210211_100000764125 [0,0,0,1,0,0|2,0,1]=4 3871 B10R1.177 CCCCSCCC1CC1 62a_100000764125_100000210210 [0,0,0,1,0,0|2,0,1]=4 3872 B10R1.177 CCCCSCCC1CO1 62a_100000210211_100000732470 [0,0,0,1,0,0|1,0,2]=4 3873 B10R1.177 CCCCSCCC1CO1 62a_100000732470_100000210210 [0,0,0,1,0,0|1,0,2]=4 3874 B10R1.177 CCCOCCCC1CO1 34a_100000210258_100000733510 [0,0,0,1,0,0|1,0,2]=4 3875 B10R1.177 CCCSCCCC1CO1 62a_100000210303_100000733510 [0,0,0,1,0,0|1,0,2]=4 3876 B10R1.177 CCCSCCCC1CO1 62a_100000733510_100000210303 [0,0,0,1,0,0|1,0,2]=4 3877 B10R1.177 CCOCCNCC1CO1 2230a_102516460346_100011216344 [0,0,0,1,0,0|2,0,1]=4 3878 B10R1.177 CCOCCNCC1CO1 34a_102516460346_102125554688 [0,0,0,1,0,0|2,0,1]=4 3879 B10R1.177 CCOCCOCC1CO1 34a_100000210136_102125554688 [0,0,0,1,0,0|2,0,1]=4 3880 B10R1.177 CCOCCOCC1CO1 7a_100000210136_102125554688 [0,0,0,1,0,0|2,0,1]=4 3881 B10R1.177 CCOCCOC[C@@H]1CO1 34a_100000757423_100000210147 [0,0,0,1,0,0|2,0,1]=4 3882 B10R1.177 CCOCCOC[C@@H]1CO1 7a_100000210136_100000745022 [0,0,0,1,0,0|2,0,1]=4 3883 B10R1.177 CCOCCSCC1CO1 62a_100000210147_102125554688 [0,0,0,1,0,0|2,0,1]=4 3884 B10R1.177 CCOCCSCC1CO1 62a_102125554688_100011215890 [0,0,0,1,0,0|2,0,1]=4 3885 B10R1.177 CCOCCSC[C@@H]1CO1 62a_100000210147_100000745022 [0,0,0,1,0,0|2,0,1]=4 3886 B10R1.177 CCOCCSC[C@@H]1CO1 62a_100000745022_100011215890 [0,0,0,1,0,0|2,0,1]=4 3887 B10R1.177 CCSCCNCC1CO1 2230a_100000106463_100011216344 [0,0,0,1,0,0|2,0,1]=4 3888 B10R1.177 CCSCCOCC1CO1 34a_100000212035_102125554688 [0,0,0,1,0,0|2,0,1]=4 3889 B10R1.177 CCSCCOCC1CO1 7a_100000212035_102125554688 [0,0,0,1,0,0|2,0,1]=4 3890 B10R1.177 CCSCCOC[C@@H]1CO1 34a_100000757423_100000757381 [0,0,0,1,0,0|2,0,1]=4 3891 B10R1.177 CCSCCOC[C@@H]1CO1 7a_100000212035_100000745022 [0,0,0,1,0,0|2,0,1]=4 3892 B10R1.177 CCSCCSCC1CO1 62a_100000757381_102125554688 [0,0,0,1,0,0|2,0,1]=4 3893 B10R1.177 CCSCCSCC1CO1 62a_102125554688_100000757381 [0,0,0,1,0,0|2,0,1]=4 3894 B10R1.177 CCSCCSC[C@@H]1CO1 62a_100000745022_100000757381 [0,0,0,1,0,0|2,0,1]=4 3895 B10R1.177 CCSCCSC[C@@H]1CO1 62a_100000757381_100000745022 [0,0,0,1,0,0|2,0,1]=4 3896 B10R1.177 CNCCCOCC1CO1 34a_100000213112_102125554688 [0,0,0,1,0,0|2,0,1]=4 3897 B10R1.177 COCCCNCC1CO1 34a_100150723488_102125554688 [0,0,0,1,0,0|2,0,1]=4 3898 B10R1.177 COCCCOCC1CO1 34a_100000740835_102125554688 [0,0,0,1,0,0|2,0,1]=4 3899 B10R1.177 COCCCOC[C@@H]1CO1 34a_100000757423_100000740836 [0,0,0,1,0,0|2,0,1]=4 3900 B10R1.177 COCCCSCC1CO1 62a_100000709357_102125554688 [0,0,0,1,0,0|2,0,1]=4 3901 B10R1.177 COCCCSCC1CO1 62a_102125554688_100000709357 [0,0,0,1,0,0|2,0,1]=4 3902 B10R1.177 COCCCSC[C@@H]1CO1 62a_100000709357_100000745022 [0,0,0,1,0,0|2,0,1]=4 3903 B10R1.177 COCCCSC[C@@H]1CO1 62a_100000745022_100000709357 [0,0,0,1,0,0|2,0,1]=4 3904 B10R1.177 CSCCCNCC1CO1 2230a_100000749238_100011216344 [0,0,0,1,0,0|2,0,1]=4 3905 B10R1.177 CSCCCOCC1CO1 34a_100000690336_102125554688 [0,0,0,1,0,0|2,0,1]=4 3906 B10R1.177 CSCCCOCC1CO1 7a_100000690336_102125554688 [0,0,0,1,0,0|2,0,1]=4 3907 B10R1.177 CSCCCOC[C@@H]1CO1 7a_100000690336_100000745022 [0,0,0,1,0,0|2,0,1]=4 3908 B10R1.177 ClCCCCOCC1CO1 34a_100000210776_102125554688 [0,0,0,1,0,0|2,0,1]=4 3909 B10R1.177 ClCCCCOCC1CO1 7a_100000210776_102125554688 [0,0,0,1,0,0|2,0,1]=4 3910 B10R1.177 ClCCCCOC[C@@H]1CO1 7a_100000210776_100000745022 [0,0,0,1,0,0|2,0,1]=4 3911 B10R1.177 ClCCCOCCC1CC1 34a_100000230001_100000694398 [0,0,0,1,0,0|2,0,1]=4 3912 B10R1.177 FCCCCOCC1CO1 34a_100011995726_102125554688 [0,0,0,1,0,0|2,0,1]=4 3913 B10R1.177 FCCCCOCC1CO1 7a_100011995726_102125554688 [0,0,0,1,0,0|2,0,1]=4 3914 B10R1.177 FCCCCOC[C@@H]1CO1 34a_100000757423_100000729493 [0,0,0,1,0,0|2,0,1]=4 3915 B10R1.177 FCCCCOC[C@@H]1CO1 7a_100011995726_100000745022 [0,0,0,1,0,0|2,0,1]=4 3916 B10R1.177 FCCCCSCC1CO1 62a_100000729493_102125554688 [0,0,0,1,0,0|2,0,1]=4 3917 B10R1.177 FCCCCSCC1CO1 62a_102125554688_100000729493 [0,0,0,1,0,0|2,0,1]=4 3918 B10R1.177 FCCCCSC[C@@H]1CO1 62a_100000729493_100000745022 [0,0,0,1,0,0|2,0,1]=4 3919 B10R1.177 FCCCCSC[C@@H]1CO1 62a_100000745022_100000729493 [0,0,0,1,0,0|2,0,1]=4 3920 B10R1.177 FCCCNCCC1CC1 2230a_100015189416_100000694398 [0,0,0,1,0,0|2,0,1]=4 3921 B10R1.177 FCCCNCCC1CC1 34a_100000764129_100011934791 [0,0,0,1,0,0|2,0,1]=4 3922 B10R1.177 FCCCNCCC1CC1 34a_100015189416_100000694398 [0,0,0,1,0,0|2,0,1]=4 3923 B10R1.177 FCCCOCCC1CC1 34a_100000754188_100011934791 [0,0,0,1,0,0|2,0,1]=4 3924 B10R1.177 FCCCOCCC1CC1 34a_100000759539_100000694398 [0,0,0,1,0,0|2,0,1]=4 3925 B10R1.177 FCCCOCCC1CC1 7a_100000754188_100011934791 [0,0,0,1,0,0|2,0,1]=4 3926 B10R1.177 FCCCSCCC1CC1 62a_100000764125_100011934791 [0,0,0,1,0,0|2,0,1]=4 3927 B10R1.177 FCCCSCCC1CC1 62a_100011934791_100000764125 [0,0,0,1,0,0|2,0,1]=4 3928 B10R1.177 ICCCCOCC1CO1 34a_200012148704_102125554688 [0,0,0,1,0,0|2,0,1]=4 3929 B10R1.177 NCCCCOCC1CO1 34a_100000750430_102125554688 [0,0,0,1,0,0|2,0,1]=4 3930 B10R1.177 NCCCOCCC1CC1 34a_100000182051_100000694398 [0,0,0,1,0,0|2,0,1]=4 3931 B10R1.177 OCCCCCNC1CC1 34a_100000212008_100000746330 [0,0,0,1,0,0|1,0,2]=4 3932 B10R1.177 OCCCCCNC1CC1 34a_100000762737_100000211595 [0,0,0,1,0,0|1,0,2]=4 3933 B10R1.177 OCCCCCSC1CC1 62a_100000746330_100000211595 [0,0,0,1,0,0|1,0,2]=4 3934 B10R1.177 OCCCCNCC1CC1 2230a_100000735609_100000210776 [0,0,0,1,0,0|1,0,2]=4 3935 B10R1.177 OCCCCNCC1CC1 2230a_100000750430_100000742324 [0,0,0,1,0,0|1,0,2]=4 3936 B10R1.177 OCCCCNCC1CC1 269862a_100000750430_100000741477 [0,0,0,1,0,0|1,0,2]=4 3937 B10R1.177 OCCCCNCC1CC1 34a_100000735609_100011216708 [0,0,0,1,0,0|1,0,2]=4 3938 B10R1.177 OCCCCNCC1CC1 34a_100000750430_100000742324 [0,0,0,1,0,0|1,0,2]=4 3939 B10R1.177 OCCCCNCC1CO1 2230a_100000750430_100011216344 [0,0,0,1,0,0|2,0,1]=4 3940 B10R1.177 OCCCCNCC1CO1 34a_100000750430_102125554688 [0,0,0,1,0,0|2,0,1]=4 3941 B10R1.177 OCCCCOCC1CC1 34a_100000211283_100011216708 [0,0,0,1,0,0|1,0,2]=4 3942 B10R1.177 OCCCCOC[C@@H]1CO1 34a_100000757423_100011216708 [0,0,0,1,0,0|2,0,1]=4 3943 B10R1.177 OCCCCSCC1CC1 62a_100000210776_100000742324 [0,0,0,1,0,0|1,0,2]=4 3944 B10R1.177 OCCCCSCC1CC1 62a_100000756562_100000210776 [0,0,0,1,0,0|1,0,2]=4 3945 B10R1.177 OCCCCSCC1CO1 62a_100000210776_102125554688 [0,0,0,1,0,0|2,0,1]=4 3946 B10R1.177 OCCCCSCC1CO1 62a_102125554688_100000210776 [0,0,0,1,0,0|2,0,1]=4 3947 B10R1.177 OCCCCSC[C@@H]1CO1 62a_100000210776_100000745022 [0,0,0,1,0,0|2,0,1]=4 3948 B10R1.177 OCCCCSC[C@@H]1CO1 62a_100000745022_100000210776 [0,0,0,1,0,0|2,0,1]=4 3949 B10R1.177 OCCCNCCC1CC1 34a_100000764129_100000230001 [0,0,0,1,0,0|1,0,1]=3 3950 B10R1.177 OCCCOCCC1CC1 34a_100000754188_100000230001 [0,0,0,1,0,0|1,0,1]=3 3951 B10R1.177 OCCCOCCC1CC1 7a_100000754188_100011215043 [0,0,0,1,0,0|1,0,1]=3 3952 B10R1.177 OCCCOCC[C@@H]1CO1 34a_100009820653_100000230001 [0,0,0,1,0,0|2,0,1]=4 3953 B10R1.177 OCCCSCCC1CC1 62a_100000764125_100011215043 [0,0,0,1,0,0|1,0,1]=3 3954 B10R1.177 OCCCSCCC1CC1 62a_100011215043_100000764125 [0,0,0,1,0,0|1,0,1]=3 3955 B10R1.177 OCCCSCCC1CO1 62a_100000732470_100011215043 [0,0,0,1,0,0|2,0,1]=4 3956 B10R1.177 OCCCSCCC1CO1 62a_100011215043_100000732470 [0,0,0,1,0,0|2,0,1]=4 3957 B10R1.177 OCCNCCCC1CO1 2230a_100016997473_100000733510 [0,0,0,1,0,0|2,0,1]=4 3958 B10R1.177 OCCNCCCC1CO1 34a_100016990907_100000733510 [0,0,0,1,0,0|2,0,1]=4 3959 B10R1.177 OCCOCCNC1CC1 34a_100000211614_100000211595 [0,0,0,1,0,0|2,0,1]=4 3960 B10R1.177 OCCOCCNC1CC1 34a_100000212008_100000692535 [0,0,0,1,0,0|2,0,1]=4 3961 B10R1.177 OCCOCCNC1CC1 34a_100000738766_100000211926 [0,0,0,1,0,0|2,0,1]=4 3962 B10R1.177 OCCOCCSC1CC1 62a_100011215305_100000211595 [0,0,0,1,0,0|2,0,1]=4 3963 B10R1.177 OCCSCCCC1CO1 62a_100000211926_100000733510 [0,0,0,1,0,0|2,0,1]=4 3964 B10R1.177 OCCSCCCC1CO1 62a_100000733510_100000211926 [0,0,0,1,0,0|2,0,1]=4 3965 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [2,0,0,0,0,0|1,0,0]=3 3966 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [2,0,0,0,0,0|2,0,0]=4 3967 B7R0.1 C/C=C/CNCCF 34a_100000724931_100102629194 [2,0,0,0,0,0|2,0,0]=4 3968 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [2,0,0,0,0,0|2,0,0]=4 3969 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [2,0,0,0,0,0|2,0,0]=4 3970 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [2,0,0,0,0,0|1,0,0]=3 3971 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [2,0,0,0,0,0|1,0,0]=3 3972 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [2,0,0,0,0,0|2,0,0]=4 3973 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [2,0,0,0,0,0|2,0,0]=4 3974 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [2,0,0,0,0,0|2,0,0]=4 3975 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [2,0,0,0,0,0|2,0,0]=4 3976 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [2,0,0,0,0,0|1,0,0]=3 3977 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [2,0,0,0,0,0|1,0,0]=3 3978 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [2,0,0,0,0,0|2,0,0]=4 3979 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [2,0,0,0,0,0|2,0,0]=4 3980 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [2,0,0,0,0,0|2,0,0]=4 3981 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [2,0,0,0,0,0|2,0,0]=4 3982 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [2,0,0,0,0,0|2,0,0]=4 3983 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [2,0,0,0,0,0|2,0,0]=4 3984 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [2,0,0,0,0,0|2,0,0]=4 3985 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [2,0,0,0,0,0|2,0,0]=4 3986 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [2,0,0,0,0,0|1,0,0]=3 3987 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [2,0,0,0,0,0|1,0,0]=3 3988 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [2,0,0,0,0,0|1,0,0]=3 3989 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [2,0,0,0,0,0|1,0,0]=3 3990 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [2,0,0,0,0,0|1,0,0]=3 3991 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [2,0,0,0,0,0|1,0,0]=3 3992 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [2,0,0,0,0,0|1,0,0]=3 3993 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [2,0,0,0,0,0|1,0,0]=3 3994 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [2,0,0,0,0,0|1,0,0]=3 3995 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [2,0,0,0,0,0|1,0,0]=3 3996 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [2,0,0,0,0,0|1,0,0]=3 3997 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [2,0,0,0,0,0|1,0,0]=3 3998 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [2,0,0,0,0,0|1,0,0]=3 3999 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [2,0,0,0,0,0|1,0,0]=3 4000 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [2,0,0,0,0,0|1,0,0]=3 4001 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [2,0,0,0,0,0|2,0,0]=4 4002 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [2,0,0,0,0,0|1,0,0]=3 4003 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [2,0,0,0,0,0|1,0,0]=3 4004 B7R0.1 CC/C=C\CSCF 62a_100015361967_100103147603 [2,0,0,0,0,0|2,0,0]=4 4005 B7R0.1 CC/C=C\CSCF 62a_100103147603_100015361967 [2,0,0,0,0,0|2,0,0]=4 4006 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [2,0,0,0,0,0|1,0,0]=3 4007 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [2,0,0,0,0,0|1,0,0]=3 4008 B7R0.1 CC=CCNCCF 34a_100000724931_100000070051 [2,0,0,0,0,0|2,0,0]=4 4009 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [2,0,0,0,0,0|2,0,0]=4 4010 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [2,0,0,0,0,0|2,0,0]=4 4011 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [2,0,0,0,0,0|2,0,0]=4 4012 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [2,0,0,0,0,0|1,0,0]=3 4013 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [2,0,0,0,0,0|2,0,0]=4 4014 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [2,0,0,0,0,0|1,0,0]=3 4015 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [2,0,0,0,0,0|1,0,0]=3 4016 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [2,0,0,0,0,0|2,0,0]=4 4017 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [2,0,0,0,0,0|2,0,0]=4 4018 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [2,0,0,0,0,0|2,0,0]=4 4019 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [2,0,0,0,0,0|2,0,0]=4 4020 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [2,0,0,0,0,0|2,0,0]=4 4021 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [2,0,0,0,0,0|2,0,0]=4 4022 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [2,0,0,0,0,0|2,0,0]=4 4023 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [2,0,0,0,0,0|2,0,0]=4 4024 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [2,0,0,0,0,0|2,0,0]=4 4025 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [2,0,0,0,0,0|2,0,0]=4 4026 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [2,0,0,0,0,0|2,0,0]=4 4027 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [2,0,0,0,0,0|2,0,0]=4 4028 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [2,0,0,0,0,0|2,0,0]=4 4029 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [2,0,0,0,0,0|2,0,0]=4 4030 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [2,0,0,0,0,0|1,0,1]=4 4031 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [2,0,0,0,0,0|1,0,1]=4 4032 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [2,0,0,0,0,0|1,0,1]=4 4033 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [2,0,0,0,0,0|1,0,1]=4 4034 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [2,0,0,0,0,0|1,0,1]=4 4035 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [2,0,0,0,0,0|1,0,1]=4 4036 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [2,0,0,0,0,0|1,0,1]=4 4037 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [2,0,0,0,0,0|1,0,1]=4 4038 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [2,0,0,0,0,0|1,0,1]=4 4039 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [2,0,0,0,0,0|1,0,1]=4 4040 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [2,0,0,0,0,0|1,0,1]=4 4041 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [2,0,0,0,0,0|1,0,1]=4 4042 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [2,0,0,0,0,0|1,0,1]=4 4043 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [2,0,0,0,0,0|1,0,1]=4 4044 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [2,0,0,0,0,0|1,0,0]=3 4045 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [2,0,0,0,0,0|1,0,0]=3 4046 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|1,0,0]=3 4047 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|1,0,0]=3 4048 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|1,0,0]=3 4049 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [2,0,0,0,0,0|2,0,0]=4 4050 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [2,0,0,0,0,0|2,0,0]=4 4051 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [2,0,0,0,0,0|1,0,0]=3 4052 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [2,0,0,0,0,0|1,0,0]=3 4053 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [2,0,0,0,0,0|2,0,0]=4 4054 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [2,0,0,0,0,0|2,0,0]=4 4055 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [2,0,0,0,0,0|1,0,1]=4 4056 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [2,0,0,0,0,0|1,0,1]=4 4057 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [2,0,0,0,0,0|2,0,0]=4 4058 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [2,0,0,0,0,0|2,0,0]=4 4059 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [2,0,0,0,0,0|2,0,0]=4 4060 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [2,0,0,0,0,0|1,0,0]=3 4061 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [2,0,0,0,0,0|1,0,0]=3 4062 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [2,0,0,0,0,0|1,0,0]=3 4063 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [2,0,0,0,0,0|1,0,0]=3 4064 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [2,0,0,0,0,0|2,0,0]=4 4065 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [2,0,0,0,0,0|1,0,1]=4 4066 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [2,0,0,0,0,0|1,0,1]=4 4067 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [2,0,0,0,0,0|1,0,1]=4 4068 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [2,0,0,0,0,0|2,0,0]=4 4069 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [2,0,0,0,0,0|2,0,0]=4 4070 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [2,0,0,0,0,0|2,0,0]=4 4071 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [2,0,0,0,0,0|1,0,0]=3 4072 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [2,0,0,0,0,0|1,0,0]=3 4073 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [2,0,0,0,0,0|1,0,1]=4 4074 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [2,0,0,0,0,0|1,0,1]=4 4075 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [2,0,0,0,0,0|2,0,0]=4 4076 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [2,0,0,0,0,0|2,0,0]=4 4077 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [2,0,0,0,0,0|1,0,0]=3 4078 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [2,0,0,0,0,0|1,0,0]=3 4079 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [2,0,0,0,0,0|2,0,0]=4 4080 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [2,0,0,0,0,0|2,0,0]=4 4081 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [2,0,0,0,0,0|2,0,0]=4 4082 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [2,0,0,0,0,0|2,0,0]=4 4083 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [2,0,0,0,0,0|2,0,0]=4 4084 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [2,0,0,0,0,0|2,0,0]=4 4085 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [2,0,0,0,0,0|2,0,0]=4 4086 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [2,0,0,0,0,0|1,0,0]=3 4087 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [2,0,0,0,0,0|2,0,0]=4 4088 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [2,0,0,0,0,0|2,0,0]=4 4089 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [2,0,0,0,0,0|1,0,0]=3 4090 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [2,0,0,0,0,0|1,0,0]=3 4091 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [2,0,0,0,0,0|2,0,0]=4 4092 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [2,0,0,0,0,0|2,0,0]=4 4093 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [2,0,0,0,0,0|2,0,0]=4 4094 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [2,0,0,0,0,0|1,0,0]=3 4095 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [2,0,0,0,0,0|1,0,0]=3 4096 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [2,0,0,0,0,0|1,0,0]=3 4097 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [2,0,0,0,0,0|2,0,0]=4 4098 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [2,0,0,0,0,0|2,0,0]=4 4099 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [2,0,0,0,0,0|2,0,0]=4 4100 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [2,0,0,0,0,0|2,0,0]=4 4101 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [2,0,0,0,0,0|2,0,0]=4 4102 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [2,0,0,0,0,0|2,0,0]=4 4103 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [2,0,0,0,0,0|2,0,0]=4 4104 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [2,0,0,0,0,0|2,0,0]=4 4105 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [2,0,0,0,0,0|2,0,0]=4 4106 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [2,0,0,0,0,0|2,0,0]=4 4107 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [2,0,0,0,0,0|2,0,0]=4 4108 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [2,0,0,0,0,0|2,0,0]=4 4109 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [2,0,0,0,0,0|2,0,0]=4 4110 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [2,0,0,0,0,0|2,0,0]=4 4111 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [2,0,0,0,0,0|2,0,0]=4 4112 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [2,0,0,0,0,0|2,0,0]=4 4113 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [2,0,0,0,0,0|1,0,0]=3 4114 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [2,0,0,0,0,0|2,0,0]=4 4115 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [2,0,0,0,0,0|2,0,0]=4 4116 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [2,0,0,0,0,0|2,0,0]=4 4117 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [2,0,0,0,0,0|2,0,0]=4 4118 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [2,0,0,0,0,0|2,0,0]=4 4119 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [2,0,0,0,0,0|2,0,0]=4 4120 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [2,0,0,0,0,0|2,0,0]=4 4121 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [2,0,0,0,0,0|2,0,0]=4 4122 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [2,0,0,0,0,0|2,0,0]=4 4123 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [2,0,0,0,0,0|2,0,0]=4 4124 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [2,0,0,0,0,0|2,0,0]=4 4125 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [2,0,0,0,0,0|2,0,0]=4 4126 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [2,0,0,0,0,0|2,0,0]=4 4127 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [2,0,0,0,0,0|2,0,0]=4 4128 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [2,0,0,0,0,0|2,0,0]=4 4129 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [2,0,0,0,0,0|2,0,0]=4 4130 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [2,0,0,0,0,0|2,0,0]=4 4131 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [2,0,0,0,0,0|2,0,0]=4 4132 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [2,0,0,0,0,0|2,0,0]=4 4133 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [2,0,0,0,0,0|2,0,0]=4 4134 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [2,0,0,0,0,0|2,0,0]=4 4135 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [2,0,0,0,0,0|2,0,0]=4 4136 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [2,0,0,0,0,0|2,0,0]=4 4137 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [2,0,0,0,0,0|2,0,0]=4 4138 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [2,0,0,0,0,0|2,0,0]=4 4139 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [2,0,0,0,0,0|2,0,0]=4 4140 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [2,0,0,0,0,0|2,0,0]=4 4141 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [2,0,0,0,0,0|2,0,0]=4 4142 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [2,0,0,0,0,0|2,0,0]=4 4143 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [2,0,0,0,0,0|2,0,0]=4 4144 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [2,0,0,0,0,0|2,0,0]=4 4145 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [2,0,0,0,0,0|2,0,0]=4 4146 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [2,0,0,0,0,0|2,0,0]=4 4147 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [2,0,0,0,0,0|1,0,0]=3 4148 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [2,0,0,0,0,0|1,0,0]=3 4149 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [2,0,0,0,0,0|2,0,0]=4 4150 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [2,0,0,0,0,0|2,0,0]=4 4151 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [2,0,0,0,0,0|2,0,0]=4 4152 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [2,0,0,0,0,0|2,0,0]=4 4153 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [2,0,0,0,0,0|2,0,0]=4 4154 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [2,0,0,0,0,0|2,0,0]=4 4155 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [2,0,0,0,0,0|2,0,0]=4 4156 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [2,0,0,0,0,0|2,0,0]=4 4157 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [2,0,0,0,0,0|2,0,0]=4 4158 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [2,0,0,0,0,0|2,0,0]=4 4159 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [2,0,0,0,0,0|2,0,0]=4 4160 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [2,0,0,0,0,0|1,0,0]=3 4161 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [2,0,0,0,0,0|1,0,0]=3 4162 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [2,0,0,0,0,0|1,0,0]=3 4163 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [2,0,0,0,0,0|1,0,0]=3 4164 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [2,0,0,0,0,0|1,0,0]=3 4165 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [2,0,0,0,0,0|2,0,0]=4 4166 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [2,0,0,0,0,0|2,0,0]=4 4167 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [2,0,0,0,0,0|2,0,0]=4 4168 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [2,0,0,0,0,0|2,0,0]=4 4169 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [2,0,0,0,0,0|2,0,0]=4 4170 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [2,0,0,0,0,0|2,0,0]=4 4171 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 4172 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 4173 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 4174 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 4175 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [2,0,0,0,0,0|2,0,0]=4 4176 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 4177 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 4178 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [2,0,0,0,0,0|2,0,0]=4 4179 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [2,0,0,0,0,0|1,0,0]=3 4180 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [2,0,0,0,0,0|2,0,0]=4 4181 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [2,0,0,0,0,0|2,0,0]=4 4182 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [2,0,0,0,0,0|2,0,0]=4 4183 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [2,0,0,0,0,0|2,0,0]=4 4184 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [2,0,0,0,0,0|2,0,0]=4 4185 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [2,0,0,0,0,0|2,0,0]=4 4186 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [2,0,0,0,0,0|2,0,0]=4 4187 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [2,0,0,0,0,0|2,0,0]=4 4188 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [2,0,0,0,0,0|2,0,0]=4 4189 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [2,0,0,0,0,0|2,0,0]=4 4190 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [2,0,0,0,0,0|2,0,0]=4 4191 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [2,0,0,0,0,0|1,0,0]=3 4192 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [2,0,0,0,0,0|1,0,0]=3 4193 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [2,0,0,0,0,0|2,0,0]=4 4194 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [2,0,0,0,0,0|2,0,0]=4 4195 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [2,0,0,0,0,0|2,0,0]=4 4196 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [2,0,0,0,0,0|2,0,0]=4 4197 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [2,0,0,0,0,0|2,0,0]=4 4198 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [2,0,0,0,0,0|2,0,0]=4 4199 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [2,0,0,0,0,0|2,0,0]=4 4200 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [2,0,0,0,0,0|2,0,0]=4 4201 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [2,0,0,0,0,0|2,0,0]=4 4202 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [2,0,0,0,0,0|2,0,0]=4 4203 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [2,0,0,0,0,0|2,0,0]=4 4204 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [2,0,0,0,0,0|2,0,0]=4 4205 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [2,0,0,0,0,0|2,0,0]=4 4206 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [2,0,0,0,0,0|2,0,0]=4 4207 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [2,0,0,0,0,0|2,0,0]=4 4208 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [2,0,0,0,0,0|2,0,0]=4 4209 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [2,0,0,0,0,0|2,0,0]=4 4210 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [2,0,0,0,0,0|2,0,0]=4 4211 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [2,0,0,0,0,0|2,0,0]=4 4212 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [2,0,0,0,0,0|2,0,0]=4 4213 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [2,0,0,0,0,0|2,0,0]=4 4214 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [2,0,0,0,0,0|2,0,0]=4 4215 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [2,0,0,0,0,0|2,0,0]=4 4216 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [2,0,0,0,0,0|2,0,0]=4 4217 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [2,0,0,0,0,0|2,0,0]=4 4218 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [2,0,0,0,0,0|2,0,0]=4 4219 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [2,0,0,0,0,0|2,0,0]=4 4220 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [2,0,0,0,0,0|2,0,0]=4 4221 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [2,0,0,0,0,0|2,0,0]=4 4222 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [2,0,0,0,0,0|2,0,0]=4 4223 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [2,0,0,0,0,0|2,0,0]=4 4224 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [2,0,0,0,0,0|2,0,0]=4 4225 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [2,0,0,0,0,0|2,0,0]=4 4226 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [2,0,0,0,0,0|1,0,0]=3 4227 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [2,0,0,0,0,0|1,0,0]=3 4228 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [2,0,0,0,0,0|2,0,0]=4 4229 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [2,0,0,0,0,0|2,0,0]=4 4230 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [2,0,0,0,0,0|2,0,0]=4 4231 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 4232 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 4233 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 4234 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 4235 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 4236 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 4237 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [2,0,0,0,0,0|2,0,0]=4 4238 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [2,0,0,0,0,0|2,0,0]=4 4239 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [2,0,0,0,0,0|2,0,0]=4 4240 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [2,0,0,0,0,0|1,0,0]=3 4241 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [2,0,0,0,0,0|1,0,0]=3 4242 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [2,0,0,0,0,0|2,0,0]=4 4243 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [2,0,0,0,0,0|2,0,0]=4 4244 B9R0.2 C=C(C)COC/C=C\CC 34a_100000210245_100103147603 [1,1,0,0,0,0|1,0,1]=4 4245 B9R0.2 C=C(C)COC/C=C\CC 34a_100016268518_100000748629 [1,1,0,0,0,0|1,0,1]=4 4246 B9R0.2 C=C(C)CSC/C=C\CC 62a_100000748629_100103147603 [1,1,0,0,0,0|1,0,1]=4 4247 B9R0.2 C=C(C)CSC/C=C\CC 62a_100103147603_100000211660 [1,1,0,0,0,0|1,0,1]=4 4248 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,1,0,0,0,0|0,0,2]=4 4249 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,1,0,0,0,0|0,0,2]=4 4250 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,1,0,0,0,0|1,0,1]=4 4251 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,1,0,0,0,0|1,0,1]=4 4252 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,1,0,0,0,0|1,0,1]=4 4253 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,1,0,0,0,0|1,0,1]=4 4254 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,1,0,0,0,0|1,0,1]=4 4255 B9R0.2 CC(Br)CCOCCCO 34a_100009893172_100000230001 [1,1,0,0,0,0|1,0,1]=4 4256 B9R0.2 CC(Br)COCCCCO 34a_100012180447_100011216708 [1,1,0,0,0,0|1,0,1]=4 4257 B9R0.2 CC(C)CCCNCCF 2230a_200000737386_100011217306 [1,1,0,0,0,0|2,0,0]=4 4258 B9R0.2 CC(C)CCCNCCF 34a_100000724931_100011214892 [1,1,0,0,0,0|2,0,0]=4 4259 B9R0.2 CC(C)CCCNCCF 34a_200000737386_100011217306 [1,1,0,0,0,0|2,0,0]=4 4260 B9R0.2 CC(C)CCCNCCO 2230a_100016997473_100011214892 [1,1,0,0,0,0|1,0,0]=3 4261 B9R0.2 CC(C)CCCNCCO 2230a_200000737386_100000211926 [1,1,0,0,0,0|1,0,0]=3 4262 B9R0.2 CC(C)CCCNCCO 34a_100016990907_100011214892 [1,1,0,0,0,0|1,0,0]=3 4263 B9R0.2 CC(C)CCCNCCO 34a_200000737386_100000211926 [1,1,0,0,0,0|1,0,0]=3 4264 B9R0.2 CC(C)CCCOCCBr 34a_100000211926_100011214892 [1,1,0,0,0,0|2,0,0]=4 4265 B9R0.2 CC(C)CCCOCCF 34a_100000210774_100011217306 [1,1,0,0,0,0|2,0,0]=4 4266 B9R0.2 CC(C)CCCOCCF 7a_100000210774_100011217306 [1,1,0,0,0,0|2,0,0]=4 4267 B9R0.2 CC(C)CCCOCCN 34a_100000210304_100011214892 [1,1,0,0,0,0|2,0,0]=4 4268 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [1,1,0,0,0,0|1,0,0]=3 4269 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [1,1,0,0,0,0|1,0,0]=3 4270 B9R0.2 CC(C)CCCSCCF 62a_100011214892_100011217306 [1,1,0,0,0,0|2,0,0]=4 4271 B9R0.2 CC(C)CCCSCCF 62a_100011217306_100011214892 [1,1,0,0,0,0|2,0,0]=4 4272 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [1,1,0,0,0,0|1,0,0]=3 4273 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [1,1,0,0,0,0|1,0,0]=3 4274 B9R0.2 CC(C)CCNCCCO 269862a_100000182051_100000185833 [1,1,0,0,0,0|1,0,1]=4 4275 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [1,1,0,0,0,0|1,0,1]=4 4276 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [1,1,0,0,0,0|1,0,1]=4 4277 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [1,1,0,0,0,0|1,0,1]=4 4278 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [1,1,0,0,0,0|1,0,1]=4 4279 B9R0.2 CC(C)CNCCCCO 2230a_100000210953_100000210776 [1,1,0,0,0,0|1,0,1]=4 4280 B9R0.2 CC(C)CNCCCCO 2230a_100000750430_100000210760 [1,1,0,0,0,0|1,0,1]=4 4281 B9R0.2 CC(C)CNCCCCO 270004a_100000750430_100000210432 [1,1,0,0,0,0|1,0,1]=4 4282 B9R0.2 CC(C)CNCCCCO 34a_100000210953_100011216708 [1,1,0,0,0,0|1,0,1]=4 4283 B9R0.2 CC(C)CNCCCCO 34a_100000750430_100000210624 [1,1,0,0,0,0|1,0,1]=4 4284 B9R0.2 CC(C)COCCCCO 34a_100000210257_100011216708 [1,1,0,0,0,0|1,0,1]=4 4285 B9R0.2 CC(C)CSCCCCO 62a_100000210624_100000210776 [1,1,0,0,0,0|1,0,1]=4 4286 B9R0.2 CC(C)CSCCCCO 62a_100000210776_100000210760 [1,1,0,0,0,0|1,0,1]=4 4287 B9R0.2 CC(C)NCCCCCO 2230a_100000762737_100000210206 [1,1,0,0,0,0|1,0,1]=4 4288 B9R0.2 CC(C)NCCCCCO 2230a_100138425928_100000746330 [1,1,0,0,0,0|1,0,1]=4 4289 B9R0.2 CC(C)NCCCCCO 34a_100000762737_100000210206 [1,1,0,0,0,0|1,0,1]=4 4290 B9R0.2 CC(C)NCCCCCO 34a_100138425928_100000746330 [1,1,0,0,0,0|1,0,1]=4 4291 B9R0.2 CC(C)NCCOCCO 2230a_100000211614_100000210206 [1,1,0,0,0,0|2,0,0]=4 4292 B9R0.2 CC(C)NCCOCCO 2230a_100138425928_100011215305 [1,1,0,0,0,0|2,0,0]=4 4293 B9R0.2 CC(C)NCCOCCO 34a_100000211614_100000210206 [1,1,0,0,0,0|2,0,0]=4 4294 B9R0.2 CC(C)NCCOCCO 34a_100000224655_100000211926 [1,1,0,0,0,0|2,0,0]=4 4295 B9R0.2 CC(C)NCCOCCO 34a_100138425928_100000692535 [1,1,0,0,0,0|2,0,0]=4 4296 B9R0.2 CC(C)NCCSCCO 2230a_100011219999_100000210206 [1,1,0,0,0,0|2,0,0]=4 4297 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [1,1,0,0,0,0|1,0,1]=4 4298 B9R0.2 CC(C)OCCNCCO 2230a_100000701111_100000211926 [1,1,0,0,0,0|2,0,0]=4 4299 B9R0.2 CC(C)OCCNCCO 2230a_100016997473_100000211751 [1,1,0,0,0,0|2,0,0]=4 4300 B9R0.2 CC(C)OCCNCCO 34a_100000701111_100000211926 [1,1,0,0,0,0|2,0,0]=4 4301 B9R0.2 CC(C)OCCNCCO 34a_100016990907_100000211751 [1,1,0,0,0,0|2,0,0]=4 4302 B9R0.2 CC(C)OCCOCCO 34a_100000211219_100000211926 [1,1,0,0,0,0|2,0,0]=4 4303 B9R0.2 CC(C)OCCOCCO 34a_100000212225_100000692535 [1,1,0,0,0,0|2,0,0]=4 4304 B9R0.2 CC(C)OCCOCCO 7a_100000211219_100000211926 [1,1,0,0,0,0|2,0,0]=4 4305 B9R0.2 CC(C)OCCSCCO 62a_100000211751_100000211926 [1,1,0,0,0,0|2,0,0]=4 4306 B9R0.2 CC(C)OCCSCCO 62a_100000211926_100000211751 [1,1,0,0,0,0|2,0,0]=4 4307 B9R0.2 CC(C)SCCCCCO 62a_100000210206_100000746330 [1,1,0,0,0,0|1,0,1]=4 4308 B9R0.2 CC(C)SCCCCCO 62a_100000746330_100000210206 [1,1,0,0,0,0|1,0,1]=4 4309 B9R0.2 CC(C)SCCNCCO 2230a_100000731138_100000211926 [1,1,0,0,0,0|2,0,0]=4 4310 B9R0.2 CC(C)SCCNCCO 2230a_100016997473_100000730970 [1,1,0,0,0,0|2,0,0]=4 4311 B9R0.2 CC(C)SCCNCCO 34a_100000731138_100000211926 [1,1,0,0,0,0|2,0,0]=4 4312 B9R0.2 CC(C)SCCNCCO 34a_100016990907_100000730970 [1,1,0,0,0,0|2,0,0]=4 4313 B9R0.2 CC(C)SCCOCCO 34a_200011212901_100000211926 [1,1,0,0,0,0|2,0,0]=4 4314 B9R0.2 CC(C)SCCOCCO 62a_100000210206_100011215305 [1,1,0,0,0,0|2,0,0]=4 4315 B9R0.2 CC(C)SCCOCCO 62a_100011215305_100000210206 [1,1,0,0,0,0|2,0,0]=4 4316 B9R0.2 CC(C)SCCOCCO 7a_200011212901_100000211926 [1,1,0,0,0,0|2,0,0]=4 4317 B9R0.2 CC(C)SCCSCCO 62a_100000211926_100000730970 [1,1,0,0,0,0|2,0,0]=4 4318 B9R0.2 CC(C)SCCSCCO 62a_100000730970_100000211926 [1,1,0,0,0,0|2,0,0]=4 4319 B9R0.2 CC(F)COCCCCO 34a_100015925927_100011216708 [1,1,0,0,0,0|1,0,1]=4 4320 B9R0.2 CC(O)CCCNCCF 34a_100000724931_200000718107 [1,1,0,0,0,0|2,0,0]=4 4321 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [1,1,0,0,0,0|1,0,0]=3 4322 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [1,1,0,0,0,0|1,0,0]=3 4323 B9R0.2 CC(O)CCCOCCBr 34a_100000211926_200000718107 [1,1,0,0,0,0|2,0,0]=4 4324 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [1,1,0,0,0,0|2,0,0]=4 4325 B9R0.2 CC(O)CCCSCCF 62a_100011217306_200000718107 [1,1,0,0,0,0|2,0,0]=4 4326 B9R0.2 CC(O)CCCSCCF 62a_200000718107_100011217306 [1,1,0,0,0,0|2,0,0]=4 4327 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [1,1,0,0,0,0|1,0,0]=3 4328 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [1,1,0,0,0,0|1,0,0]=3 4329 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [1,1,0,0,0,0|1,0,1]=4 4330 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [1,1,0,0,0,0|1,0,1]=4 4331 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [1,1,0,0,0,0|1,0,1]=4 4332 B9R0.2 CC(O)CNCCCCF 2230a_100000210904_100000729493 [1,1,0,0,0,0|2,0,0]=4 4333 B9R0.2 CC(O)CNCCCCF 34a_100000210904_100000729493 [1,1,0,0,0,0|2,0,0]=4 4334 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [1,1,0,0,0,0|1,0,1]=4 4335 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [1,1,0,0,0,0|1,0,1]=4 4336 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [1,1,0,0,0,0|1,0,1]=4 4337 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [1,1,0,0,0,0|1,0,1]=4 4338 B9R0.2 CC(O)COCCCCBr 34a_100011216708_100011218427 [1,1,0,0,0,0|2,0,0]=4 4339 B9R0.2 CC(O)COCCCCCl 34a_100000210776_100011218427 [1,1,0,0,0,0|2,0,0]=4 4340 B9R0.2 CC(O)COCCCCCl 7a_100000210776_100011218427 [1,1,0,0,0,0|2,0,0]=4 4341 B9R0.2 CC(O)COCCCCF 34a_100011995726_100011218427 [1,1,0,0,0,0|2,0,0]=4 4342 B9R0.2 CC(O)COCCCCF 7a_100011995726_100011218427 [1,1,0,0,0,0|2,0,0]=4 4343 B9R0.2 CC(O)COCCCCI 34a_200012148704_100011218427 [1,1,0,0,0,0|2,0,0]=4 4344 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [1,1,0,0,0,0|2,0,0]=4 4345 B9R0.2 CC(O)CSCCCCF 62a_100000729493_100011218427 [1,1,0,0,0,0|2,0,0]=4 4346 B9R0.2 CC(O)CSCCCCF 62a_100011218427_100000729493 [1,1,0,0,0,0|2,0,0]=4 4347 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [1,1,0,0,0,0|1,0,1]=4 4348 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [1,1,0,0,0,0|1,0,1]=4 4349 B9R0.2 CC/C=C\CCNC(C)C 2230a_100138425928_100015370543 [1,1,0,0,0,0|1,0,0]=3 4350 B9R0.2 CC/C=C\CCNC(C)C 34a_100138425928_100015370543 [1,1,0,0,0,0|1,0,0]=3 4351 B9R0.2 CC/C=C\CCOC(C)C 34a_100000212225_100015370543 [1,1,0,0,0,0|1,0,0]=3 4352 B9R0.2 CC/C=C\CCOC(C)C 34a_100016288707_100000210206 [1,1,0,0,0,0|1,0,0]=3 4353 B9R0.2 CC/C=C\CCOC(C)C 7a_100016288707_100000210206 [1,1,0,0,0,0|1,0,0]=3 4354 B9R0.2 CC/C=C\CCSC(C)C 62a_100000210206_100015370543 [1,1,0,0,0,0|1,0,0]=3 4355 B9R0.2 CC/C=C\CCSC(C)C 62a_100015370543_100000210206 [1,1,0,0,0,0|1,0,0]=3 4356 B9R0.2 CC/C=C\CNCC(C)C 2230a_100000210953_100103147603 [1,1,0,0,0,0|1,0,0]=3 4357 B9R0.2 CC/C=C\CNCC(C)C 34a_100000210953_100103147603 [1,1,0,0,0,0|1,0,0]=3 4358 B9R0.2 CC/C=C\CNCC(C)O 2230a_100000210904_100103147603 [1,1,0,0,0,0|1,0,0]=3 4359 B9R0.2 CC/C=C\CNCC(C)O 34a_100000210904_100103147603 [1,1,0,0,0,0|1,0,0]=3 4360 B9R0.2 CC/C=C\CNCC(F)F 34a_100000765723_100103147603 [1,1,0,0,0,0|2,0,0]=4 4361 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [1,1,0,0,0,0|1,0,1]=4 4362 B9R0.2 CC/C=C\COCC(C)Br 34a_100012180447_100103147603 [1,1,0,0,0,0|1,0,0]=3 4363 B9R0.2 CC/C=C\COCC(C)C 34a_100000210257_100103147603 [1,1,0,0,0,0|1,0,0]=3 4364 B9R0.2 CC/C=C\COCC(C)C 34a_100016268518_100000210624 [1,1,0,0,0,0|1,0,0]=3 4365 B9R0.2 CC/C=C\COCC(C)F 34a_100015925927_100103147603 [1,1,0,0,0,0|1,0,0]=3 4366 B9R0.2 CC/C=C\COCC(C)O 34a_100016268518_100011218427 [1,1,0,0,0,0|1,0,0]=3 4367 B9R0.2 CC/C=C\COCC(F)F 34a_100000743014_100103147603 [1,1,0,0,0,0|2,0,0]=4 4368 B9R0.2 CC/C=C\COCC(F)F 34a_100016268518_100011934356 [1,1,0,0,0,0|2,0,0]=4 4369 B9R0.2 CC/C=C\COC[C@@H](C)Cl 34a_100016084084_100103147603 [1,1,0,0,0,0|1,0,0]=3 4370 B9R0.2 CC/C=C\COC[C@@H](C)N 34a_100000737577_100103147603 [1,1,0,0,0,0|1,0,0]=3 4371 B9R0.2 CC/C=C\COC[C@@H](C)O 34a_100016268518_100009817552 [1,1,0,0,0,0|1,0,0]=3 4372 B9R0.2 CC/C=C\CSCC(C)C 62a_100000210624_100103147603 [1,1,0,0,0,0|1,0,0]=3 4373 B9R0.2 CC/C=C\CSCC(C)C 62a_100103147603_100000210760 [1,1,0,0,0,0|1,0,0]=3 4374 B9R0.2 CC/C=C\CSCC(C)O 62a_100011218427_100103147603 [1,1,0,0,0,0|1,0,0]=3 4375 B9R0.2 CC/C=C\CSCC(C)O 62a_100103147603_100011218427 [1,1,0,0,0,0|1,0,0]=3 4376 B9R0.2 CC/C=C\CSCC(F)F 62a_100011934356_100103147603 [1,1,0,0,0,0|2,0,0]=4 4377 B9R0.2 CC/C=C\CSCC(F)F 62a_100103147603_100011934356 [1,1,0,0,0,0|2,0,0]=4 4378 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100009817552_100103147603 [1,1,0,0,0,0|1,0,0]=3 4379 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100103147603_100009817552 [1,1,0,0,0,0|1,0,0]=3 4380 B9R0.2 CCC/C=C/COC(C)C 34a_100016278788_100000210206 [1,1,0,0,0,0|2,0,0]=4 4381 B9R0.2 CCC/C=C/COC(C)C 7a_100016278788_100000210206 [1,1,0,0,0,0|2,0,0]=4 4382 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [1,1,0,0,0,0|0,0,2]=4 4383 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [1,1,0,0,0,0|0,0,2]=4 4384 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [1,1,0,0,0,0|0,0,1]=3 4385 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [1,1,0,0,0,0|0,0,1]=3 4386 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,1,0,0,0,0|1,0,1]=4 4387 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,1,0,0,0,0|1,0,1]=4 4388 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,1,0,0,0,0|1,0,1]=4 4389 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,1,0,0,0,0|1,0,1]=4 4390 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,1,0,0,0,0|1,0,1]=4 4391 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,1,0,0,0,0|1,0,1]=4 4392 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [1,1,0,0,0,0|1,0,1]=4 4393 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [1,1,0,0,0,0|1,0,1]=4 4394 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,1,0,0,0,0|1,0,1]=4 4395 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [1,1,0,0,0,0|1,0,1]=4 4396 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [1,1,0,0,0,0|1,0,1]=4 4397 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [1,1,0,0,0,0|1,0,1]=4 4398 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [1,1,0,0,0,0|1,0,1]=4 4399 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [1,1,0,0,0,0|1,0,0]=3 4400 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [1,1,0,0,0,0|1,0,0]=3 4401 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [1,1,0,0,0,0|1,0,0]=3 4402 B9R0.2 CCCCCNCC(F)F 2230a_100000209983_100011934356 [1,1,0,0,0,0|2,0,0]=4 4403 B9R0.2 CCCCCNCC(F)F 34a_100000765723_100000718602 [1,1,0,0,0,0|2,0,0]=4 4404 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [1,1,0,0,0,0|1,0,0]=3 4405 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [1,1,0,0,0,0|1,0,1]=4 4406 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [1,1,0,0,0,0|1,0,1]=4 4407 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [1,1,0,0,0,0|1,0,1]=4 4408 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [1,1,0,0,0,0|1,0,1]=4 4409 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [1,1,0,0,0,0|1,0,1]=4 4410 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [1,1,0,0,0,0|1,0,0]=3 4411 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [1,1,0,0,0,0|1,0,0]=3 4412 B9R0.2 CCCCCOCC(F)F 34a_100000210253_100011934356 [1,1,0,0,0,0|2,0,0]=4 4413 B9R0.2 CCCCCOCC(F)F 34a_100000743014_100000718602 [1,1,0,0,0,0|2,0,0]=4 4414 B9R0.2 CCCCCOCC(F)F 7a_100000210253_100011934356 [1,1,0,0,0,0|2,0,0]=4 4415 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [1,1,0,0,0,0|1,0,1]=4 4416 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [1,1,0,0,0,0|1,0,1]=4 4417 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [1,1,0,0,0,0|1,0,0]=3 4418 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [1,1,0,0,0,0|1,0,0]=3 4419 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [1,1,0,0,0,0|1,0,1]=4 4420 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [1,1,0,0,0,0|1,0,1]=4 4421 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [1,1,0,0,0,0|1,0,0]=3 4422 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [1,1,0,0,0,0|1,0,0]=3 4423 B9R0.2 CCCCCSCC(F)F 62a_100000210326_100011934356 [1,1,0,0,0,0|2,0,0]=4 4424 B9R0.2 CCCCCSCC(F)F 62a_100011934356_100000210326 [1,1,0,0,0,0|2,0,0]=4 4425 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [1,1,0,0,0,0|1,0,0]=3 4426 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [1,1,0,0,0,0|1,0,0]=3 4427 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [1,1,0,0,0,0|1,0,1]=4 4428 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [1,1,0,0,0,0|1,0,1]=4 4429 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [1,1,0,0,0,0|1,0,1]=4 4430 B9R0.2 CCCCNN=CC(C)C 4a_100025702795_100000210432 [1,1,0,0,0,0|2,0,0]=4 4431 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [1,1,0,0,0,0|1,0,1]=4 4432 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [1,1,0,0,0,0|1,0,1]=4 4433 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [1,1,0,0,0,0|1,0,1]=4 4434 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [1,1,0,0,0,0|1,0,1]=4 4435 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [1,1,0,0,0,0|1,0,1]=4 4436 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [1,1,0,0,0,0|1,0,1]=4 4437 B9R0.2 CCCOC/C=C/B(O)O 34a_100000210258_100016262062 [1,1,0,0,0,0|2,0,0]=4 4438 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [1,1,0,0,0,0|1,0,1]=4 4439 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [1,1,0,0,0,0|1,0,1]=4 4440 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [1,1,0,0,0,0|1,0,1]=4 4441 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,1,0,0,0,0|1,0,1]=4 4442 B9R0.2 CCCSC/C=C/B(O)O 62a_100000210303_100016262062 [1,1,0,0,0,0|2,0,0]=4 4443 B9R0.2 CCCSC/C=C/B(O)O 62a_100016262062_100000210303 [1,1,0,0,0,0|2,0,0]=4 4444 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [1,1,0,0,0,0|1,0,1]=4 4445 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [1,1,0,0,0,0|1,0,1]=4 4446 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [1,1,0,0,0,0|1,0,1]=4 4447 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [1,1,0,0,0,0|1,0,1]=4 4448 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [1,1,0,0,0,0|1,0,1]=4 4449 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [1,1,0,0,0,0|1,0,1]=4 4450 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [1,1,0,0,0,0|1,0,1]=4 4451 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [1,1,0,0,0,0|1,0,1]=4 4452 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [1,1,0,0,0,0|2,0,0]=4 4453 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [1,1,0,0,0,0|2,0,0]=4 4454 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [1,1,0,0,0,0|2,0,0]=4 4455 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [1,1,0,0,0,0|2,0,0]=4 4456 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [1,1,0,0,0,0|2,0,0]=4 4457 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [1,1,0,0,0,0|2,0,0]=4 4458 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [1,1,0,0,0,0|2,0,0]=4 4459 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [1,1,0,0,0,0|2,0,0]=4 4460 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [1,1,0,0,0,0|2,0,0]=4 4461 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [1,1,0,0,0,0|2,0,0]=4 4462 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [1,1,0,0,0,0|2,0,0]=4 4463 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [1,1,0,0,0,0|2,0,0]=4 4464 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [1,1,0,0,0,0|2,0,0]=4 4465 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [1,1,0,0,0,0|2,0,0]=4 4466 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [1,1,0,0,0,0|1,0,1]=4 4467 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [1,1,0,0,0,0|1,0,1]=4 4468 B9R0.2 CCSCCNCC(C)O 2230a_100000106463_100011218427 [1,1,0,0,0,0|2,0,0]=4 4469 B9R0.2 CCSCCNCC(C)O 2230a_100000210904_100000757381 [1,1,0,0,0,0|2,0,0]=4 4470 B9R0.2 CCSCCNCC(C)O 34a_100000210904_100000757381 [1,1,0,0,0,0|2,0,0]=4 4471 B9R0.2 CCSCCNC[C@@H](C)O 2230a_100000106463_100009817552 [1,1,0,0,0,0|2,0,0]=4 4472 B9R0.2 CCSCCOCC(C)O 34a_100000212035_100011218427 [1,1,0,0,0,0|2,0,0]=4 4473 B9R0.2 CCSCCOCC(C)O 7a_100000212035_100011218427 [1,1,0,0,0,0|2,0,0]=4 4474 B9R0.2 CCSCCOC[C@@H](C)O 34a_100000212035_100009817552 [1,1,0,0,0,0|2,0,0]=4 4475 B9R0.2 CCSCCOC[C@@H](C)O 7a_100000212035_100009817552 [1,1,0,0,0,0|2,0,0]=4 4476 B9R0.2 CCSCCSCC(C)O 62a_100000757381_100011218427 [1,1,0,0,0,0|2,0,0]=4 4477 B9R0.2 CCSCCSCC(C)O 62a_100011218427_100000757381 [1,1,0,0,0,0|2,0,0]=4 4478 B9R0.2 CCSCCSC[C@@H](C)O 62a_100000757381_100009817552 [1,1,0,0,0,0|2,0,0]=4 4479 B9R0.2 CCSCCSC[C@@H](C)O 62a_100009817552_100000757381 [1,1,0,0,0,0|2,0,0]=4 4480 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [1,1,0,0,0,0|1,0,1]=4 4481 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [1,1,0,0,0,0|1,0,1]=4 4482 B9R0.2 CN(C)CCCSCCO 62a_100000211926_100000757444 [1,1,0,0,0,0|2,0,0]=4 4483 B9R0.2 CNCCC/C=C/B(O)O 2230a_106832991635_200016261450 [1,1,0,0,0,0|2,0,0]=4 4484 B9R0.2 CNCCC/C=C/B(O)O 34a_100102657272_200016261450 [1,1,0,0,0,0|2,0,0]=4 4485 B9R0.2 CNCCC/C=C/B(O)O 7a_106832991635_200016261450 [1,1,0,0,0,0|2,0,0]=4 4486 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [1,1,0,0,0,0|2,0,0]=4 4487 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [1,1,0,0,0,0|2,0,0]=4 4488 B9R0.2 COCCC/C=C/B(O)O 34a_100138415774_200016261450 [1,1,0,0,0,0|2,0,0]=4 4489 B9R0.2 COCCCNCC(C)O 2230a_100000210904_100000740836 [1,1,0,0,0,0|2,0,0]=4 4490 B9R0.2 COCCCNCC(C)O 34a_100000210904_100000740836 [1,1,0,0,0,0|2,0,0]=4 4491 B9R0.2 COCCCNCC(C)O 34a_100150723488_100011218427 [1,1,0,0,0,0|2,0,0]=4 4492 B9R0.2 COCCCNC[C@@H](C)O 34a_100150723488_100009817552 [1,1,0,0,0,0|2,0,0]=4 4493 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [1,1,0,0,0,0|2,0,0]=4 4494 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [1,1,0,0,0,0|2,0,0]=4 4495 B9R0.2 COCCCSCC(C)O 62a_100000709357_100011218427 [1,1,0,0,0,0|2,0,0]=4 4496 B9R0.2 COCCCSCC(C)O 62a_100011218427_100000709357 [1,1,0,0,0,0|2,0,0]=4 4497 B9R0.2 COCCCSC[C@@H](C)O 62a_100000709357_100009817552 [1,1,0,0,0,0|2,0,0]=4 4498 B9R0.2 COCCCSC[C@@H](C)O 62a_100009817552_100000709357 [1,1,0,0,0,0|2,0,0]=4 4499 B9R0.2 CS(=O)CCCNCCO 2230a_200000753449_100000211926 [1,1,0,0,0,0|2,0,0]=4 4500 B9R0.2 CSCCC/C=C/B(O)O 62a_200000210301_200016261450 [1,1,0,0,0,0|2,0,0]=4 4501 B9R0.2 CSCCC/C=C/B(O)O 62a_200016261450_200000210301 [1,1,0,0,0,0|2,0,0]=4 4502 B9R0.2 CSCCCNCC(C)O 2230a_100000749238_100011218427 [1,1,0,0,0,0|2,0,0]=4 4503 B9R0.2 CSCCCNC[C@@H](C)O 2230a_100000749238_100009817552 [1,1,0,0,0,0|2,0,0]=4 4504 B9R0.2 CSCCCOCC(C)O 34a_100000690336_100011218427 [1,1,0,0,0,0|2,0,0]=4 4505 B9R0.2 CSCCCOCC(C)O 7a_100000690336_100011218427 [1,1,0,0,0,0|2,0,0]=4 4506 B9R0.2 CSCCCOC[C@@H](C)O 34a_100000690336_100009817552 [1,1,0,0,0,0|2,0,0]=4 4507 B9R0.2 CSCCCOC[C@@H](C)O 7a_100000690336_100009817552 [1,1,0,0,0,0|2,0,0]=4 4508 B9R0.2 C[C@@H](Cl)COCCCCO 34a_100016084084_100011216708 [1,1,0,0,0,0|1,0,1]=4 4509 B9R0.2 C[C@@H](N)CCOCCCO 34a_100000706166_100000230001 [1,1,0,0,0,0|1,0,1]=4 4510 B9R0.2 C[C@@H](N)COCCCCO 34a_100000737577_100011216708 [1,1,0,0,0,0|1,0,1]=4 4511 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [1,1,0,0,0,0|1,0,1]=4 4512 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [1,1,0,0,0,0|1,0,1]=4 4513 B9R0.2 C[C@@H](O)COCCCCBr 34a_100011216708_100009817552 [1,1,0,0,0,0|2,0,0]=4 4514 B9R0.2 C[C@@H](O)COCCCCCl 34a_100000210776_100009817552 [1,1,0,0,0,0|2,0,0]=4 4515 B9R0.2 C[C@@H](O)COCCCCCl 7a_100000210776_100009817552 [1,1,0,0,0,0|2,0,0]=4 4516 B9R0.2 C[C@@H](O)COCCCCF 34a_100011995726_100009817552 [1,1,0,0,0,0|2,0,0]=4 4517 B9R0.2 C[C@@H](O)COCCCCF 7a_100011995726_100009817552 [1,1,0,0,0,0|2,0,0]=4 4518 B9R0.2 C[C@@H](O)COCCCCI 34a_200012148704_100009817552 [1,1,0,0,0,0|2,0,0]=4 4519 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [1,1,0,0,0,0|2,0,0]=4 4520 B9R0.2 C[C@@H](O)CSCCCCF 62a_100000729493_100009817552 [1,1,0,0,0,0|2,0,0]=4 4521 B9R0.2 C[C@@H](O)CSCCCCF 62a_100009817552_100000729493 [1,1,0,0,0,0|2,0,0]=4 4522 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [1,1,0,0,0,0|1,0,1]=4 4523 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [1,1,0,0,0,0|1,0,1]=4 4524 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,1,0,0,0,0|0,0,2]=4 4525 B9R0.2 [13CH3]SCCC/C=C/B(O)O 62a_200016261450_200025704644 [1,1,0,0,0,0|2,0,0]=4 4526 B9R0.2 [13CH3]SCCC/C=C/B(O)O 62a_200025704644_200016261450 [1,1,0,0,0,0|2,0,0]=4 4527 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [1,1,0,0,0,0|1,0,1]=4 4528 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [1,1,0,0,0,0|1,0,1]=4 4529 B9R0.5 C#CCCCC(=O)CCO 1458a_100000690238_100000211926 [1,1,0,0,0,0|0,0,2]=4 4530 B9R0.5 C#CCCCC(=O)CCO 1458a_100011216618_100000731252 [1,1,0,0,0,0|0,0,2]=4 4531 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [1,1,0,0,0,0|1,0,1]=4 4532 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [1,1,0,0,0,0|1,0,1]=4 4533 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [1,1,0,0,0,0|0,0,2]=4 4534 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [1,1,0,0,0,0|0,0,2]=4 4535 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [1,1,0,0,0,0|0,0,2]=4 4536 B9R0.5 CC(CCN)COCCO 34a_106354213184_100000211926 [1,1,0,0,0,0|2,0,0]=4 4537 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [1,1,0,0,0,0|0,0,1]=3 4538 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [1,1,0,0,0,0|1,0,1]=4 4539 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [1,1,0,0,0,0|0,0,2]=4 4540 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [1,1,0,0,0,0|1,0,1]=4 4541 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [1,1,0,0,0,0|1,0,1]=4 4542 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [1,1,0,0,0,0|1,0,1]=4 4543 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [1,1,0,0,0,0|0,0,1]=3 4544 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [1,1,0,0,0,0|0,0,2]=4 4545 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [1,1,0,0,0,0|1,0,1]=4 4546 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [1,1,0,0,0,0|1,0,1]=4 4547 B9R0.5 CC/C=C\CN(C)CCC 2230a_100000747261_100103147603 [1,1,0,0,0,0|1,0,0]=3 4548 B9R0.5 CC/C=C\CN(C)CCC 269982a_100000747261_100103147603 [1,1,0,0,0,0|1,0,0]=3 4549 B9R0.5 CC/C=C\CN(C)CCO 2230a_100000210263_100103147603 [1,1,0,0,0,0|2,0,0]=4 4550 B9R0.5 CC/C=C\CN(C)CCO 269982a_100000210263_100103147603 [1,1,0,0,0,0|2,0,0]=4 4551 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [1,1,0,0,0,0|0,0,1]=3 4552 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [1,1,0,0,0,0|1,0,1]=4 4553 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [1,1,0,0,0,0|1,0,1]=4 4554 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [1,1,0,0,0,0|1,0,1]=4 4555 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [1,1,0,0,0,0|1,0,1]=4 4556 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [1,1,0,0,0,0|1,0,1]=4 4557 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [1,1,0,0,0,0|1,0,1]=4 4558 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [1,1,0,0,0,0|1,0,1]=4 4559 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [1,1,0,0,0,0|1,0,1]=4 4560 B9R0.5 CCC#CCC(=O)CCO 1458a_100011216618_100009813939 [1,1,0,0,0,0|0,0,2]=4 4561 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [1,1,0,0,0,0|0,0,2]=4 4562 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,1,0,0,0,0|1,0,1]=4 4563 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,1,0,0,0,0|0,0,2]=4 4564 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,1,0,0,0,0|0,0,2]=4 4565 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [1,1,0,0,0,0|1,0,1]=4 4566 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [1,1,0,0,0,0|1,0,1]=4 4567 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [1,1,0,0,0,0|1,0,1]=4 4568 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,1,0,0,0,0|1,0,1]=4 4569 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,1,0,0,0,0|1,0,1]=4 4570 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,1,0,0,0,0|1,0,1]=4 4571 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,1,0,0,0,0|1,0,1]=4 4572 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [1,1,0,0,0,0|1,0,1]=4 4573 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [1,1,0,0,0,0|1,0,1]=4 4574 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [1,1,0,0,0,0|1,0,1]=4 4575 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [1,1,0,0,0,0|1,0,1]=4 4576 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [1,1,0,0,0,0|1,0,1]=4 4577 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [1,1,0,0,0,0|1,0,1]=4 4578 B9R0.5 CCCC(C)CNCCF 34a_100000724931_100011216630 [1,1,0,0,0,0|2,0,0]=4 4579 B9R0.5 CCCC(C)CNCCO 2230a_100016997473_100011216630 [1,1,0,0,0,0|1,0,0]=3 4580 B9R0.5 CCCC(C)CNCCO 270004a_100000210304_100000243154 [1,1,0,0,0,0|1,0,0]=3 4581 B9R0.5 CCCC(C)CNCCO 34a_100016990907_100011216630 [1,1,0,0,0,0|1,0,0]=3 4582 B9R0.5 CCCC(C)COCCBr 34a_100000211926_100011216630 [1,1,0,0,0,0|2,0,0]=4 4583 B9R0.5 CCCC(C)COCCF 34a_100000688023_100011217306 [1,1,0,0,0,0|2,0,0]=4 4584 B9R0.5 CCCC(C)COCCF 7a_100000688023_100011217306 [1,1,0,0,0,0|2,0,0]=4 4585 B9R0.5 CCCC(C)COCCN 34a_100000210304_100011216630 [1,1,0,0,0,0|2,0,0]=4 4586 B9R0.5 CCCC(C)COCCO 34a_100000688023_100000211926 [1,1,0,0,0,0|1,0,0]=3 4587 B9R0.5 CCCC(C)COCCO 7a_100000688023_100000211926 [1,1,0,0,0,0|1,0,0]=3 4588 B9R0.5 CCCC(C)CSCCF 62a_100011216630_100011217306 [1,1,0,0,0,0|2,0,0]=4 4589 B9R0.5 CCCC(C)CSCCF 62a_100011217306_100011216630 [1,1,0,0,0,0|2,0,0]=4 4590 B9R0.5 CCCC(C)CSCCO 62a_100000211926_100011216630 [1,1,0,0,0,0|1,0,0]=3 4591 B9R0.5 CCCC(C)CSCCO 62a_100011216630_100000211926 [1,1,0,0,0,0|1,0,0]=3 4592 B9R0.5 CCCC(C)NCCCO 2230a_100000741246_100000230001 [1,1,0,0,0,0|1,0,1]=4 4593 B9R0.5 CCCC(C)NCCCO 270004a_100000182051_100000211909 [1,1,0,0,0,0|1,0,1]=4 4594 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [1,1,0,0,0,0|1,0,1]=4 4595 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [1,1,0,0,0,0|1,0,1]=4 4596 B9R0.5 CCCC(C)SCCCO 62a_100000766640_100011215043 [1,1,0,0,0,0|1,0,1]=4 4597 B9R0.5 CCCC(C)SCCCO 62a_100011215043_100000766640 [1,1,0,0,0,0|1,0,1]=4 4598 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [1,1,0,0,0,0|1,0,1]=4 4599 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [1,1,0,0,0,0|1,0,1]=4 4600 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [1,1,0,0,0,0|0,0,1]=3 4601 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [1,1,0,0,0,0|1,0,1]=4 4602 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [1,1,0,0,0,0|1,0,1]=4 4603 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [1,1,0,0,0,0|1,0,1]=4 4604 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [1,1,0,0,0,0|1,0,1]=4 4605 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [1,1,0,0,0,0|1,0,1]=4 4606 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,1,0,0,0,0|0,0,1]=3 4607 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,1,0,0,0,0|0,0,1]=3 4608 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,1,0,0,0,0|1,0,0]=3 4609 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,1,0,0,0,0|0,0,0]=2 4610 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,1,0,0,0,0|0,0,0]=2 4611 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,1,0,0,0,0|1,0,1]=4 4612 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,1,0,0,0,0|1,0,1]=4 4613 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,1,0,0,0,0|1,0,1]=4 4614 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,1,0,0,0,0|1,0,1]=4 4615 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,1,0,0,0,0|1,0,1]=4 4616 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [1,1,0,0,0,0|1,0,1]=4 4617 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [1,1,0,0,0,0|1,0,1]=4 4618 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [1,1,0,0,0,0|1,0,1]=4 4619 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [1,1,0,0,0,0|1,0,1]=4 4620 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [1,1,0,0,0,0|1,0,1]=4 4621 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,1,0,0,0,0|1,0,0]=3 4622 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,1,0,0,0,0|1,0,0]=3 4623 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,1,0,0,0,0|1,0,0]=3 4624 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [1,1,0,0,0,0|2,0,0]=4 4625 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [1,1,0,0,0,0|1,0,1]=4 4626 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [1,1,0,0,0,0|1,0,1]=4 4627 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [1,1,0,0,0,0|1,0,1]=4 4628 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [1,1,0,0,0,0|1,0,1]=4 4629 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [1,1,0,0,0,0|1,0,1]=4 4630 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [1,1,0,0,0,0|1,0,1]=4 4631 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [1,1,0,0,0,0|1,0,1]=4 4632 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [1,1,0,0,0,0|1,0,1]=4 4633 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [1,1,0,0,0,0|1,0,1]=4 4634 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [1,1,0,0,0,0|1,0,1]=4 4635 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [1,1,0,0,0,0|1,0,1]=4 4636 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [1,1,0,0,0,0|1,0,1]=4 4637 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [1,1,0,0,0,0|1,0,1]=4 4638 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [1,1,0,0,0,0|1,0,1]=4 4639 B9R0.5 CCCCCN(C)CCF 2230a_100000223495_100011217306 [1,1,0,0,0,0|2,0,0]=4 4640 B9R0.5 CCCCCN(C)CCF 269982a_100000223495_100011217306 [1,1,0,0,0,0|2,0,0]=4 4641 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [1,1,0,0,0,0|1,0,0]=3 4642 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [1,1,0,0,0,0|1,0,0]=3 4643 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [1,1,0,0,0,0|1,0,0]=3 4644 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [1,1,0,0,0,0|1,0,0]=3 4645 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [1,1,0,0,0,0|1,0,0]=3 4646 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [1,1,0,0,0,0|1,0,0]=3 4647 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [1,1,0,0,0,0|1,0,1]=4 4648 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [1,1,0,0,0,0|1,0,1]=4 4649 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [1,1,0,0,0,0|1,0,0]=3 4650 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [1,1,0,0,0,0|1,0,0]=3 4651 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 4652 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 4653 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 4654 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,1,0,0,0,0|1,0,1]=4 4655 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [1,1,0,0,0,0|1,0,0]=3 4656 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [1,1,0,0,0,0|2,0,0]=4 4657 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [1,1,0,0,0,0|2,0,0]=4 4658 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [1,1,0,0,0,0|2,0,0]=4 4659 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [1,1,0,0,0,0|2,0,0]=4 4660 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [1,1,0,0,0,0|2,0,0]=4 4661 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [1,1,0,0,0,0|2,0,0]=4 4662 B9R0.5 CCCCNC(C)CCO 2230a_100000102301_100009893172 [1,1,0,0,0,0|1,0,1]=4 4663 B9R0.5 CCCCNC(C)CCO 7a_106832991798_100009893172 [1,1,0,0,0,0|1,0,1]=4 4664 B9R0.5 CCCCN[C@H](C)CCO 2230a_100000706166_100000210211 [1,1,0,0,0,0|1,0,1]=4 4665 B9R0.5 CCCCN[C@H](C)CCO 34a_100000706166_100000210210 [1,1,0,0,0,0|1,0,1]=4 4666 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [1,1,0,0,0,0|1,0,1]=4 4667 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [1,1,0,0,0,0|1,0,1]=4 4668 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [1,1,0,0,0,0|1,0,1]=4 4669 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [1,1,0,0,0,0|1,0,1]=4 4670 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [1,1,0,0,0,0|1,0,1]=4 4671 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [1,1,0,0,0,0|1,0,1]=4 4672 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [1,1,0,0,0,0|1,0,1]=4 4673 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [1,1,0,0,0,0|1,0,1]=4 4674 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [1,1,0,0,0,0|2,0,0]=4 4675 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [1,1,0,0,0,0|1,0,1]=4 4676 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [1,1,0,0,0,0|2,0,0]=4 4677 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,1,0,0,0,0|1,0,1]=4 4678 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [1,1,0,0,0,0|2,0,0]=4 4679 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [1,1,0,0,0,0|1,0,0]=3 4680 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [1,1,0,0,0,0|2,0,0]=4 4681 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [1,1,0,0,0,0|2,0,0]=4 4682 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [1,1,0,0,0,0|2,0,0]=4 4683 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [1,1,0,0,0,0|2,0,0]=4 4684 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [1,1,0,0,0,0|2,0,0]=4 4685 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [1,1,0,0,0,0|2,0,0]=4 4686 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [1,1,0,0,0,0|1,0,1]=4 4687 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [1,1,0,0,0,0|1,0,1]=4 4688 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [1,1,0,0,0,0|1,0,1]=4 4689 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [1,1,0,0,0,0|1,0,1]=4 4690 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,1,0,0,0,0|1,0,1]=4 4691 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,1,0,0,0,0|1,0,1]=4 4692 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,1,0,0,0,0|1,0,1]=4 4693 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [1,1,0,0,0,0|2,0,0]=4 4694 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [1,1,0,0,0,0|1,0,0]=3 4695 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [1,1,0,0,0,0|2,0,0]=4 4696 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [1,1,0,0,0,0|2,0,0]=4 4697 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [1,1,0,0,0,0|2,0,0]=4 4698 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [1,1,0,0,0,0|2,0,0]=4 4699 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [1,1,0,0,0,0|2,0,0]=4 4700 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [1,1,0,0,0,0|2,0,0]=4 4701 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [1,1,0,0,0,0|2,0,0]=4 4702 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [1,1,0,0,0,0|2,0,0]=4 4703 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [1,1,0,0,0,0|2,0,0]=4 4704 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [1,1,0,0,0,0|1,0,1]=4 4705 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [1,1,0,0,0,0|1,0,1]=4 4706 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [1,1,0,0,0,0|1,0,1]=4 4707 B9R0.5 CCC[C@H](N)COCCF 34a_100000732646_100011217306 [1,1,0,0,0,0|2,0,0]=4 4708 B9R0.5 CCC[C@H](N)COCCO 34a_100000732646_100000211926 [1,1,0,0,0,0|1,0,0]=3 4709 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [1,1,0,0,0,0|2,0,0]=4 4710 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [1,1,0,0,0,0|2,0,0]=4 4711 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [1,1,0,0,0,0|2,0,0]=4 4712 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [1,1,0,0,0,0|2,0,0]=4 4713 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [1,1,0,0,0,0|2,0,0]=4 4714 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [1,1,0,0,0,0|2,0,0]=4 4715 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [1,1,0,0,0,0|2,0,0]=4 4716 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [1,1,0,0,0,0|2,0,0]=4 4717 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [1,1,0,0,0,0|2,0,0]=4 4718 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [1,1,0,0,0,0|2,0,0]=4 4719 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [1,1,0,0,0,0|2,0,0]=4 4720 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [1,1,0,0,0,0|2,0,0]=4 4721 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [1,1,0,0,0,0|2,0,0]=4 4722 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [1,1,0,0,0,0|2,0,0]=4 4723 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [1,1,0,0,0,0|2,0,0]=4 4724 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [1,1,0,0,0,0|2,0,0]=4 4725 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [1,1,0,0,0,0|2,0,0]=4 4726 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [1,1,0,0,0,0|2,0,0]=4 4727 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [1,1,0,0,0,0|2,0,0]=4 4728 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [1,1,0,0,0,0|2,0,0]=4 4729 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [1,1,0,0,0,0|2,0,0]=4 4730 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [1,1,0,0,0,0|2,0,0]=4 4731 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [1,1,0,0,0,0|2,0,0]=4 4732 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [1,1,0,0,0,0|2,0,0]=4 4733 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [1,1,0,0,0,0|2,0,0]=4 4734 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [1,1,0,0,0,0|2,0,0]=4 4735 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [1,1,0,0,0,0|2,0,0]=4 4736 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [1,1,0,0,0,0|2,0,0]=4 4737 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [1,1,0,0,0,0|2,0,0]=4 4738 B9R0.5 CCOC=CC(=O)CCO 1458a_100016266692_100000211926 [1,1,0,0,0,0|1,0,1]=4 4739 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [1,1,0,0,0,0|2,0,0]=4 4740 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,1,0,0,0,0|1,0,0]=3 4741 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,1,0,0,0,0|1,0,0]=3 4742 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [1,1,0,0,0,0|2,0,0]=4 4743 B9R0.5 CCOCCN(C)CCO 2230a_100000210263_100011215890 [1,1,0,0,0,0|2,0,0]=4 4744 B9R0.5 CCOCCN(C)CCO 269982a_100000210263_100011215890 [1,1,0,0,0,0|2,0,0]=4 4745 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [1,1,0,0,0,0|2,0,0]=4 4746 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [1,1,0,0,0,0|1,0,0]=3 4747 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [1,1,0,0,0,0|1,0,0]=3 4748 B9R0.5 CCSCCN(C)CCO 2230a_100000210263_100000757381 [1,1,0,0,0,0|2,0,0]=4 4749 B9R0.5 CCSCCN(C)CCO 269982a_100000210263_100000757381 [1,1,0,0,0,0|2,0,0]=4 4750 B9R0.5 CN(CCO)CCCCF 2230a_100000210263_100000729493 [1,1,0,0,0,0|2,0,0]=4 4751 B9R0.5 CN(CCO)CCCCF 269982a_100000210263_100000729493 [1,1,0,0,0,0|2,0,0]=4 4752 B9R0.5 CN(CCO)CCCCO 2230a_100000210263_100000210776 [1,1,0,0,0,0|2,0,0]=4 4753 B9R0.5 CN(CCO)CCCCO 2230a_100000717598_100000211926 [1,1,0,0,0,0|2,0,0]=4 4754 B9R0.5 CN(CCO)CCCCO 269982a_100000210263_100000210776 [1,1,0,0,0,0|2,0,0]=4 4755 B9R0.5 CN(CCO)CCCCO 269982a_100000717598_100000211926 [1,1,0,0,0,0|2,0,0]=4 4756 B9R0.5 COCC(N)COCCO 34a_100000724102_100000211926 [1,1,0,0,0,0|2,0,0]=4 4757 B9R0.5 COCC(O)CNCCO 2230a_100000756049_100000211926 [1,1,0,0,0,0|2,0,0]=4 4758 B9R0.5 COCC(O)CNCCO 34a_100000756049_100000211926 [1,1,0,0,0,0|2,0,0]=4 4759 B9R0.5 COCC(O)CNCCO 34a_100016990907_100011215053 [1,1,0,0,0,0|2,0,0]=4 4760 B9R0.5 COCC(O)CSCCO 62a_100000211926_100011215053 [1,1,0,0,0,0|2,0,0]=4 4761 B9R0.5 COCC(O)CSCCO 62a_100011215053_100000211926 [1,1,0,0,0,0|2,0,0]=4 4762 B9R0.5 COCC=CC(=O)CCO 1458a_100016285016_100000211926 [1,1,0,0,0,0|1,0,1]=4 4763 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [1,1,0,0,0,0|2,0,0]=4 4764 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [1,1,0,0,0,0|1,0,0]=3 4765 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [1,1,0,0,0,0|1,0,0]=3 4766 B9R0.5 COCCCN(C)CCO 2230a_100000210263_100000740836 [1,1,0,0,0,0|2,0,0]=4 4767 B9R0.5 COCCCN(C)CCO 2230a_100000224831_100000211926 [1,1,0,0,0,0|2,0,0]=4 4768 B9R0.5 COCCCN(C)CCO 269982a_100000210263_100000740836 [1,1,0,0,0,0|2,0,0]=4 4769 B9R0.5 COCCCN(C)CCO 269982a_100000224831_100000211926 [1,1,0,0,0,0|2,0,0]=4 4770 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [1,1,0,0,0,0|2,0,0]=4 4771 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [1,1,0,0,0,0|2,0,0]=4 4772 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [1,1,0,0,0,0|1,0,0]=3 4773 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [1,1,0,0,0,0|2,0,0]=4 4774 B9R0.5 N#CCCCC(=O)CCO 1458a_100000075515_100000211926 [1,1,0,0,0,0|1,0,1]=4 4775 B9R0.5 N#CCCCC(=O)CCO 1458a_100011216618_100000211468 [1,1,0,0,0,0|1,0,1]=4 4776 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [1,1,0,0,0,0|2,0,0]=4 4777 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [1,1,0,0,0,0|1,0,0]=3 4778 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,1,0,0,0,0|1,0,0]=3 4779 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,1,0,0,0,0|1,0,0]=3 4780 B9R0.5 O=C(CCO)COCCO 1458a_100000708028_100000211926 [1,1,0,0,0,0|2,0,0]=4 4781 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [1,1,0,0,0,0|2,0,0]=4 4782 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [1,1,0,0,0,0|2,0,0]=4 4783 B9R0.18 CC(CCCCl)OCCO 34a_200000718107_100000211926 [1,1,0,0,0,0|2,0,0]=4 4784 B9R0.18 CC(CCCCl)OCCO 7a_200000718107_100000211926 [1,1,0,0,0,0|2,0,0]=4 4785 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [1,1,0,0,0,0|0,0,1]=3 4786 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [1,1,0,0,0,0|1,0,1]=4 4787 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [1,1,0,0,0,0|1,0,1]=4 4788 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [1,1,0,0,0,0|1,0,1]=4 4789 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [1,1,0,0,0,0|1,0,1]=4 4790 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [1,1,0,0,0,0|1,0,1]=4 4791 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [1,1,0,0,0,0|1,0,1]=4 4792 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [1,1,0,0,0,0|1,0,1]=4 4793 B9R0.18 CCCCC(=O)C#CCO 1458a_100000049017_100000210211 [1,1,0,0,0,0|0,0,2]=4 4794 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [1,1,0,0,0,0|1,0,1]=4 4795 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [1,1,0,0,0,0|1,0,1]=4 4796 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [1,1,0,0,0,0|1,0,1]=4 4797 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [1,1,0,0,0,0|0,0,1]=3 4798 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [1,1,0,0,0,0|2,0,0]=4 4799 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [1,1,0,0,0,0|2,0,0]=4 4800 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [1,1,0,0,0,0|2,0,0]=4 4801 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [1,1,0,0,0,0|2,0,0]=4 4802 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [1,1,0,0,0,0|2,0,0]=4 4803 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [1,1,0,0,0,0|2,0,0]=4 4804 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [1,1,0,0,0,0|2,0,0]=4 4805 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [1,1,0,0,0,0|2,0,0]=4 4806 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [1,1,0,0,0,0|1,0,0]=3 4807 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [1,1,0,0,0,0|1,0,0]=3 4808 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [1,1,0,0,0,0|1,0,1]=4 4809 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [1,1,0,0,0,0|1,0,1]=4 4810 B9R0.18 CCCCC(C)NCCC 2230a_100000126638_100000210303 [1,1,0,0,0,0|1,0,1]=4 4811 B9R0.18 CCCCC(C)NCCC 270004a_100020643023_100000210087 [1,1,0,0,0,0|1,0,1]=4 4812 B9R0.18 CCCCC(C)NCCF 2230a_100000126638_100011217306 [1,1,0,0,0,0|2,0,0]=4 4813 B9R0.18 CCCCC(C)NCCF 34a_100000724931_200011215066 [1,1,0,0,0,0|2,0,0]=4 4814 B9R0.18 CCCCC(C)NCCO 2230a_100000126638_100000211926 [1,1,0,0,0,0|1,0,0]=3 4815 B9R0.18 CCCCC(C)NCCO 2230a_100016997473_200011215066 [1,1,0,0,0,0|1,0,0]=3 4816 B9R0.18 CCCCC(C)NCCO 270004a_100000210304_100000210087 [1,1,0,0,0,0|1,0,0]=3 4817 B9R0.18 CCCCC(C)NCCO 34a_100016990907_200011215066 [1,1,0,0,0,0|1,0,0]=3 4818 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [1,1,0,0,0,0|2,0,0]=4 4819 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [1,1,0,0,0,0|1,0,1]=4 4820 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [1,1,0,0,0,0|1,0,1]=4 4821 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [1,1,0,0,0,0|1,0,1]=4 4822 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [1,1,0,0,0,0|2,0,0]=4 4823 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [1,1,0,0,0,0|2,0,0]=4 4824 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [1,1,0,0,0,0|2,0,0]=4 4825 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [1,1,0,0,0,0|1,0,0]=3 4826 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [1,1,0,0,0,0|1,0,0]=3 4827 B9R0.18 CCCCC(C)SCCC 62a_100000210303_200011215066 [1,1,0,0,0,0|1,0,1]=4 4828 B9R0.18 CCCCC(C)SCCC 62a_200011215066_100000210303 [1,1,0,0,0,0|1,0,1]=4 4829 B9R0.18 CCCCC(C)SCCF 62a_100011217306_200011215066 [1,1,0,0,0,0|2,0,0]=4 4830 B9R0.18 CCCCC(C)SCCF 62a_200011215066_100011217306 [1,1,0,0,0,0|2,0,0]=4 4831 B9R0.18 CCCCC(C)SCCO 62a_100000211926_200011215066 [1,1,0,0,0,0|1,0,0]=3 4832 B9R0.18 CCCCC(C)SCCO 62a_200011215066_100000211926 [1,1,0,0,0,0|1,0,0]=3 4833 B9R0.18 CCCCN(C)CCCO 2230a_100000207549_100000230001 [1,1,0,0,0,0|1,0,1]=4 4834 B9R0.18 CCCCN(C)CCCO 2230a_100000213112_100000210211 [1,1,0,0,0,0|1,0,1]=4 4835 B9R0.18 CCCCN(C)CCCO 269982a_100000207549_100011215043 [1,1,0,0,0,0|1,0,1]=4 4836 B9R0.18 CCCCN(C)CCCO 269982a_100000213112_100000210211 [1,1,0,0,0,0|1,0,1]=4 4837 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [1,1,0,0,0,0|1,0,1]=4 4838 B9R0.18 CCCNC(=O)NCCO 2708a_100020643023_100000210304 [1,1,0,0,0,0|2,0,0]=4 4839 B9R0.18 CCCNC(=O)NCCO 273464a_100000210304_100020643023 [1,1,0,0,0,0|2,0,0]=4 4840 B9R0.18 CCCNC(=O)NCCO 273464a_100020643023_100000210304 [1,1,0,0,0,0|2,0,0]=4 4841 B9R0.18 CCCNC(=O)NCCO 512a_100020643023_100000210304 [1,1,0,0,0,0|2,0,0]=4 4842 B9R0.18 CCNC[C@H](C)CCCO 2230a_100160569302_100000210202 [1,1,0,0,0,0|1,0,1]=4 4843 B9R0.18 CCNC[C@H](C)CCCO 34a_100160569302_100000210202 [1,1,0,0,0,0|1,0,1]=4 4844 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [1,1,0,0,0,0|1,0,1]=4 4845 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [1,1,0,0,0,0|2,0,0]=4 4846 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [1,1,0,0,0,0|2,0,0]=4 4847 B9R0.18 CCOCC(C)OCCO 34a_100000718985_100000211926 [1,1,0,0,0,0|2,0,0]=4 4848 B9R0.18 CCOCC(C)OCCO 7a_100000718985_100000211926 [1,1,0,0,0,0|2,0,0]=4 4849 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [1,1,0,0,0,0|1,0,1]=4 4850 B9R0.18 CCSCC(=O)NCCO 240690a_100000210304_100000230394 [1,1,0,0,0,0|2,0,0]=4 4851 B9R0.18 CCSCC(=O)NCCO 527a_100000210304_100000230394 [1,1,0,0,0,0|2,0,0]=4 4852 B9R0.18 CCSCC(C)NCCO 270004a_100000210304_200011216171 [1,1,0,0,0,0|2,0,0]=4 4853 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [1,1,0,0,0,0|1,0,1]=4 4854 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [1,1,0,0,0,0|2,0,0]=4 4855 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [1,1,0,0,0,0|2,0,0]=4 4856 B9R0.18 COCCC(C)NCCO 270004a_100000210304_100000742357 [1,1,0,0,0,0|2,0,0]=4 4857 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [1,1,0,0,0,0|1,0,1]=4 4858 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [1,1,0,0,0,0|2,0,0]=4 4859 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [1,1,0,0,0,0|2,0,0]=4 4860 B9R0.18 CSCCC(C)NCCO 270004a_100000210304_100011217047 [1,1,0,0,0,0|2,0,0]=4 4861 B9R0.46 CC(CO)CCNCCO 2230a_106354213184_100000211926 [1,1,0,0,0,0|2,0,0]=4 4862 B9R0.46 CC(CO)CCNCCO 34a_106354213184_100000211926 [1,1,0,0,0,0|2,0,0]=4 4863 B9R0.46 CC(CO)NCCCCO 2230a_100000750430_100012180447 [1,1,0,0,0,0|2,0,0]=4 4864 B9R0.46 CC(CO)NCCCCO 34a_100000750430_100012180447 [1,1,0,0,0,0|2,0,0]=4 4865 B9R0.46 CC(CO)OCCCCBr 34a_100011216708_100012180447 [1,1,0,0,0,0|2,0,0]=4 4866 B9R0.46 CC(CO)OCCCCCl 34a_100000210776_100012180447 [1,1,0,0,0,0|2,0,0]=4 4867 B9R0.46 CC(CO)OCCCCCl 7a_100000210776_100012180447 [1,1,0,0,0,0|2,0,0]=4 4868 B9R0.46 CC(CO)OCCCCF 34a_100011995726_100012180447 [1,1,0,0,0,0|2,0,0]=4 4869 B9R0.46 CC(CO)OCCCCF 7a_100011995726_100012180447 [1,1,0,0,0,0|2,0,0]=4 4870 B9R0.46 CC(CO)OCCCCI 34a_200012148704_100012180447 [1,1,0,0,0,0|2,0,0]=4 4871 B9R0.46 CC(CO)OCCCCN 34a_100000750430_100012180447 [1,1,0,0,0,0|2,0,0]=4 4872 B9R0.46 CC(CO)SCCCCF 62a_100012180447_100000729493 [1,1,0,0,0,0|2,0,0]=4 4873 B9R0.46 CC(CO)SCCCCO 62a_100012180447_100000210776 [1,1,0,0,0,0|2,0,0]=4 4874 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [1,1,0,0,0,0|0,0,1]=3 4875 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [1,1,0,0,0,0|1,0,1]=4 4876 B9R0.46 CC/C=C\CCN(C)CC 2230a_100000225621_100015370543 [1,1,0,0,0,0|1,0,0]=3 4877 B9R0.46 CC/C=C\CCN(C)CC 269982a_100000225621_100015370543 [1,1,0,0,0,0|1,0,0]=3 4878 B9R0.46 CC/C=C\CNC(C)CC 2230a_100000209981_100103147603 [1,1,0,0,0,0|1,0,0]=3 4879 B9R0.46 CC/C=C\CN[C@H](C)CO 2230a_100000737577_100103147603 [1,1,0,0,0,0|2,0,0]=4 4880 B9R0.46 CC/C=C\COC(C)CC 34a_100016268518_100011215416 [1,1,0,0,0,0|1,0,0]=3 4881 B9R0.46 CC/C=C\COC(C)CC 7a_100000210228_100103147603 [1,1,0,0,0,0|1,0,0]=3 4882 B9R0.46 CC/C=C\COC(C)CF 34a_100016041109_100103147603 [1,1,0,0,0,0|2,0,0]=4 4883 B9R0.46 CC/C=C\COC(C)CF 7a_100016041109_100103147603 [1,1,0,0,0,0|2,0,0]=4 4884 B9R0.46 CC/C=C\COC(C)CN 34a_100000210904_100103147603 [1,1,0,0,0,0|2,0,0]=4 4885 B9R0.46 CC/C=C\COC(C)CO 34a_100016268518_100012180447 [1,1,0,0,0,0|2,0,0]=4 4886 B9R0.46 CC/C=C\CSC(C)CC 62a_100000758301_100103147603 [1,1,0,0,0,0|1,0,0]=3 4887 B9R0.46 CC/C=C\CSC(C)CC 62a_100103147603_100000758301 [1,1,0,0,0,0|1,0,0]=3 4888 B9R0.46 CC/C=C\CSC(C)CO 62a_100012180447_100103147603 [1,1,0,0,0,0|2,0,0]=4 4889 B9R0.46 CC/C=C\CSC(C)OC 62a_100009879195_100103147603 [1,1,0,0,0,0|2,0,0]=4 4890 B9R0.46 CC/C=C\CSC(C)OC 62a_100103147603_100009879195 [1,1,0,0,0,0|2,0,0]=4 4891 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100016084084_100103147603 [1,1,0,0,0,0|2,0,0]=4 4892 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100103147603_100016084084 [1,1,0,0,0,0|2,0,0]=4 4893 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [1,1,0,0,0,0|1,0,1]=4 4894 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,1,0,0,0,0|0,0,2]=4 4895 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,1,0,0,0,0|0,0,2]=4 4896 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [1,1,0,0,0,0|1,0,1]=4 4897 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [1,1,0,0,0,0|1,0,1]=4 4898 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [1,1,0,0,0,0|1,0,1]=4 4899 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [1,1,0,0,0,0|2,0,0]=4 4900 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [1,1,0,0,0,0|2,0,0]=4 4901 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [1,1,0,0,0,0|2,0,0]=4 4902 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [1,1,0,0,0,0|2,0,0]=4 4903 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [1,1,0,0,0,0|2,0,0]=4 4904 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [1,1,0,0,0,0|2,0,0]=4 4905 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [1,1,0,0,0,0|2,0,0]=4 4906 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [1,1,0,0,0,0|2,0,0]=4 4907 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [1,1,0,0,0,0|2,0,0]=4 4908 B9R0.46 CCC(C)CCNCCF 2230a_100020591266_100011217306 [1,1,0,0,0,0|2,0,0]=4 4909 B9R0.46 CCC(C)CCNCCO 2230a_100020591266_100000211926 [1,1,0,0,0,0|1,0,0]=3 4910 B9R0.46 CCC(C)CCOCCF 7a_100011215188_100011217306 [1,1,0,0,0,0|2,0,0]=4 4911 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [1,1,0,0,0,0|1,0,0]=3 4912 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [1,1,0,0,0,0|1,0,1]=4 4913 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [1,1,0,0,0,0|1,0,1]=4 4914 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [1,1,0,0,0,0|1,0,1]=4 4915 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [1,1,0,0,0,0|1,0,1]=4 4916 B9R0.46 CCC(C)NCCCCO 2230a_100000209981_100000210776 [1,1,0,0,0,0|1,0,1]=4 4917 B9R0.46 CCC(C)NCCCCO 2230a_100000750430_100000758301 [1,1,0,0,0,0|1,0,1]=4 4918 B9R0.46 CCC(C)NCCCCO 34a_100000750430_100011215416 [1,1,0,0,0,0|1,0,1]=4 4919 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [1,1,0,0,0,0|1,0,1]=4 4920 B9R0.46 CCC(C)SCCCCO 62a_100000210776_100000758301 [1,1,0,0,0,0|1,0,1]=4 4921 B9R0.46 CCC(C)SCCCCO 62a_100000758301_100000210776 [1,1,0,0,0,0|1,0,1]=4 4922 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [1,1,0,0,0,0|1,0,1]=4 4923 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [1,1,0,0,0,0|1,0,1]=4 4924 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [1,1,0,0,0,0|1,0,1]=4 4925 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [1,1,0,0,0,0|1,0,1]=4 4926 B9R0.46 CCC=NNCC(O)CC 4a_100015206393_100000210100 [1,1,0,0,0,0|2,0,0]=4 4927 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [1,1,0,0,0,0|0,0,1]=3 4928 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [1,1,0,0,0,0|1,0,1]=4 4929 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [1,1,0,0,0,0|1,0,1]=4 4930 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [1,1,0,0,0,0|1,0,1]=4 4931 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [1,1,0,0,0,0|1,0,1]=4 4932 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [1,1,0,0,0,0|0,0,1]=3 4933 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [1,1,0,0,0,0|0,0,1]=3 4934 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [1,1,0,0,0,0|1,0,1]=4 4935 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [1,1,0,0,0,0|0,0,1]=3 4936 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [1,1,0,0,0,0|1,0,1]=4 4937 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [1,1,0,0,0,0|1,0,1]=4 4938 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [1,1,0,0,0,0|1,0,1]=4 4939 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [1,1,0,0,0,0|1,0,1]=4 4940 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [1,1,0,0,0,0|1,0,1]=4 4941 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [1,1,0,0,0,0|1,0,1]=4 4942 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [1,1,0,0,0,0|1,0,1]=4 4943 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [1,1,0,0,0,0|1,0,1]=4 4944 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [1,1,0,0,0,0|1,0,0]=3 4945 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [1,1,0,0,0,0|1,0,0]=3 4946 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [1,1,0,0,0,0|1,0,0]=3 4947 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [1,1,0,0,0,0|1,0,0]=3 4948 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [1,1,0,0,0,0|1,0,0]=3 4949 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [1,1,0,0,0,0|1,0,0]=3 4950 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [1,1,0,0,0,0|2,0,0]=4 4951 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [1,1,0,0,0,0|2,0,0]=4 4952 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [1,1,0,0,0,0|2,0,0]=4 4953 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [1,1,0,0,0,0|2,0,0]=4 4954 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [1,1,0,0,0,0|2,0,0]=4 4955 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [1,1,0,0,0,0|2,0,0]=4 4956 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [1,1,0,0,0,0|1,0,1]=4 4957 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [1,1,0,0,0,0|1,0,1]=4 4958 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [1,1,0,0,0,0|1,0,0]=3 4959 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [1,1,0,0,0,0|1,0,0]=3 4960 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [1,1,0,0,0,0|1,0,1]=4 4961 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [1,1,0,0,0,0|1,0,1]=4 4962 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [1,1,0,0,0,0|1,0,1]=4 4963 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [1,1,0,0,0,0|2,0,0]=4 4964 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [1,1,0,0,0,0|2,0,0]=4 4965 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [1,1,0,0,0,0|2,0,0]=4 4966 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [1,1,0,0,0,0|1,0,0]=3 4967 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [1,1,0,0,0,0|1,0,0]=3 4968 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [1,1,0,0,0,0|1,0,1]=4 4969 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [1,1,0,0,0,0|1,0,1]=4 4970 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [1,1,0,0,0,0|1,0,0]=3 4971 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [1,1,0,0,0,0|1,0,0]=3 4972 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [1,1,0,0,0,0|1,0,0]=3 4973 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [1,1,0,0,0,0|1,0,1]=4 4974 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [1,1,0,0,0,0|1,0,1]=4 4975 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [1,1,0,0,0,0|1,0,1]=4 4976 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [1,1,0,0,0,0|1,0,1]=4 4977 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [1,1,0,0,0,0|1,0,1]=4 4978 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [1,1,0,0,0,0|1,0,1]=4 4979 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [1,1,0,0,0,0|1,0,1]=4 4980 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [1,1,0,0,0,0|1,0,1]=4 4981 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [1,1,0,0,0,0|1,0,1]=4 4982 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [1,1,0,0,0,0|1,0,1]=4 4983 B9R0.46 CCCCNN=C(C)CO 4a_100025702795_100000211253 [1,1,0,0,0,0|2,0,0]=4 4984 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [1,1,0,0,0,0|2,0,0]=4 4985 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [1,1,0,0,0,0|2,0,0]=4 4986 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [1,1,0,0,0,0|1,0,1]=4 4987 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [1,1,0,0,0,0|1,0,1]=4 4988 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [1,1,0,0,0,0|1,0,1]=4 4989 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [1,1,0,0,0,0|1,0,1]=4 4990 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [1,1,0,0,0,0|1,0,1]=4 4991 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [1,1,0,0,0,0|1,0,1]=4 4992 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [1,1,0,0,0,0|1,0,1]=4 4993 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [1,1,0,0,0,0|1,0,1]=4 4994 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [1,1,0,0,0,0|1,0,1]=4 4995 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [1,1,0,0,0,0|1,0,1]=4 4996 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [1,1,0,0,0,0|1,0,1]=4 4997 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [1,1,0,0,0,0|1,0,1]=4 4998 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [1,1,0,0,0,0|1,0,1]=4 4999 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [1,1,0,0,0,0|1,0,1]=4 5000 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [1,1,0,0,0,0|1,0,1]=4 5001 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [1,1,0,0,0,0|1,0,1]=4 5002 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [1,1,0,0,0,0|1,0,1]=4 5003 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [1,1,0,0,0,0|1,0,1]=4 5004 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [1,1,0,0,0,0|1,0,1]=4 5005 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [1,1,0,0,0,0|1,0,1]=4 5006 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [1,1,0,0,0,0|1,0,1]=4 5007 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [1,1,0,0,0,0|1,0,1]=4 5008 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [1,1,0,0,0,0|1,0,1]=4 5009 B9R0.46 CCCNN=CC(O)CO 4a_100000740057_100000033539 [1,1,0,0,0,0|2,0,0]=4 5010 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [1,1,0,0,0,0|1,0,1]=4 5011 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [1,1,0,0,0,0|1,0,1]=4 5012 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [1,1,0,0,0,0|1,0,1]=4 5013 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [1,1,0,0,0,0|1,0,1]=4 5014 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [1,1,0,0,0,0|1,0,1]=4 5015 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [1,1,0,0,0,0|1,0,1]=4 5016 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [1,1,0,0,0,0|1,0,1]=4 5017 B9R0.46 CCN(C)CCOCCO 2230a_100000225621_100011215305 [1,1,0,0,0,0|2,0,0]=4 5018 B9R0.46 CCN(C)CCOCCO 2230a_100000228057_100000210202 [1,1,0,0,0,0|2,0,0]=4 5019 B9R0.46 CCN(C)CCOCCO 269982a_100000225621_100011215305 [1,1,0,0,0,0|2,0,0]=4 5020 B9R0.46 CCN(C)CCOCCO 269982a_100000228057_100000204670 [1,1,0,0,0,0|2,0,0]=4 5021 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [1,1,0,0,0,0|2,0,0]=4 5022 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [1,1,0,0,0,0|1,0,1]=4 5023 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [1,1,0,0,0,0|1,0,1]=4 5024 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [1,1,0,0,0,0|1,0,1]=4 5025 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [1,1,0,0,0,0|2,0,0]=4 5026 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [1,1,0,0,0,0|2,0,0]=4 5027 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [1,1,0,0,0,0|2,0,0]=4 5028 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [1,1,0,0,0,0|2,0,0]=4 5029 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [1,1,0,0,0,0|2,0,0]=4 5030 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [1,1,0,0,0,0|2,0,0]=4 5031 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [1,1,0,0,0,0|2,0,0]=4 5032 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [1,1,0,0,0,0|2,0,0]=4 5033 B9R0.46 CCOCCNC(C)CO 2230a_102516460346_100012180447 [1,1,0,0,0,0|2,0,0]=4 5034 B9R0.46 CCOCCNC(C)CO 34a_102516460346_100012180447 [1,1,0,0,0,0|2,0,0]=4 5035 B9R0.46 CCOCCN[C@H](C)CO 2230a_100000737577_100011215890 [1,1,0,0,0,0|2,0,0]=4 5036 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [1,1,0,0,0,0|2,0,0]=4 5037 B9R0.46 CCOCCOC(C)CO 34a_100000210136_100012180447 [1,1,0,0,0,0|2,0,0]=4 5038 B9R0.46 CCOCCOC(C)CO 7a_100000210136_100012180447 [1,1,0,0,0,0|2,0,0]=4 5039 B9R0.46 CCOCCSC(C)CO 62a_100012180447_100011215890 [1,1,0,0,0,0|2,0,0]=4 5040 B9R0.46 CCOCCS[C@H](C)CO 62a_100000210147_100016084084 [1,1,0,0,0,0|2,0,0]=4 5041 B9R0.46 CCOCCS[C@H](C)CO 62a_100016084084_100011215890 [1,1,0,0,0,0|2,0,0]=4 5042 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [1,1,0,0,0,0|2,0,0]=4 5043 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [1,1,0,0,0,0|2,0,0]=4 5044 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [1,1,0,0,0,0|2,0,0]=4 5045 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [1,1,0,0,0,0|2,0,0]=4 5046 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [1,1,0,0,0,0|2,0,0]=4 5047 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [1,1,0,0,0,0|2,0,0]=4 5048 B9R0.46 CCSCCNC(C)CO 2230a_100000106463_100012180447 [1,1,0,0,0,0|2,0,0]=4 5049 B9R0.46 CCSCCN[C@H](C)CO 2230a_100000737577_100000757381 [1,1,0,0,0,0|2,0,0]=4 5050 B9R0.46 CCSCCOC(C)CO 34a_100000212035_100012180447 [1,1,0,0,0,0|2,0,0]=4 5051 B9R0.46 CCSCCOC(C)CO 7a_100000212035_100012180447 [1,1,0,0,0,0|2,0,0]=4 5052 B9R0.46 CCSCCSC(C)CO 62a_100012180447_100000757381 [1,1,0,0,0,0|2,0,0]=4 5053 B9R0.46 CCSCCS[C@H](C)CO 62a_100000757381_100016084084 [1,1,0,0,0,0|2,0,0]=4 5054 B9R0.46 CCSCCS[C@H](C)CO 62a_100016084084_100000757381 [1,1,0,0,0,0|2,0,0]=4 5055 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [1,1,0,0,0,0|1,0,1]=4 5056 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [1,1,0,0,0,0|1,0,1]=4 5057 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [1,1,0,0,0,0|1,0,1]=4 5058 B9R0.46 CNCCCOC(C)CO 34a_100000213112_100012180447 [1,1,0,0,0,0|2,0,0]=4 5059 B9R0.46 COC(C)CCOCCO 7a_100000764861_100000211926 [1,1,0,0,0,0|2,0,0]=4 5060 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [1,1,0,0,0,0|1,0,1]=4 5061 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [1,1,0,0,0,0|2,0,0]=4 5062 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [1,1,0,0,0,0|2,0,0]=4 5063 B9R0.46 COCCCNC(C)CO 34a_100150723488_100012180447 [1,1,0,0,0,0|2,0,0]=4 5064 B9R0.46 COCCCN[C@H](C)CO 2230a_100000737577_100000740836 [1,1,0,0,0,0|2,0,0]=4 5065 B9R0.46 COCCCOC(C)CO 34a_100000740835_100012180447 [1,1,0,0,0,0|2,0,0]=4 5066 B9R0.46 COCCCSC(C)CO 62a_100012180447_100000709357 [1,1,0,0,0,0|2,0,0]=4 5067 B9R0.46 COCCCS[C@H](C)CO 62a_100000709357_100016084084 [1,1,0,0,0,0|2,0,0]=4 5068 B9R0.46 COCCCS[C@H](C)CO 62a_100016084084_100000709357 [1,1,0,0,0,0|2,0,0]=4 5069 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [1,1,0,0,0,0|2,0,0]=4 5070 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [1,1,0,0,0,0|2,0,0]=4 5071 B9R0.46 CSCCCNC(C)CO 2230a_100000749238_100012180447 [1,1,0,0,0,0|2,0,0]=4 5072 B9R0.46 CSCCCOC(C)CO 34a_100000690336_100012180447 [1,1,0,0,0,0|2,0,0]=4 5073 B9R0.46 CSCCCOC(C)CO 7a_100000690336_100012180447 [1,1,0,0,0,0|2,0,0]=4 5074 B9R0.46 C[C@H](CO)NCCCCF 2230a_100000737577_100000729493 [1,1,0,0,0,0|2,0,0]=4 5075 B9R0.46 C[C@H](CO)NCCCCO 2230a_100000737577_100000210776 [1,1,0,0,0,0|2,0,0]=4 5076 B9R0.46 C[C@H](CO)SCCCCF 62a_100000729493_100016084084 [1,1,0,0,0,0|2,0,0]=4 5077 B9R0.46 C[C@H](CO)SCCCCF 62a_100016084084_100000729493 [1,1,0,0,0,0|2,0,0]=4 5078 B9R0.46 C[C@H](CO)SCCCCO 62a_100000210776_100016084084 [1,1,0,0,0,0|2,0,0]=4 5079 B9R0.46 C[C@H](CO)SCCCCO 62a_100016084084_100000210776 [1,1,0,0,0,0|2,0,0]=4 5080 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [1,1,0,0,0,0|1,0,1]=4 5081 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [1,1,0,0,0,0|1,0,1]=4 5082 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [1,1,0,0,0,0|2,0,0]=4 5083 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [1,1,0,0,0,0|2,0,0]=4 5084 B11R0.2 CC(C)C[C@H](N)CCOCCO 34a_100161151251_100000211926 [0,2,0,0,0,0|1,0,1]=4 5085 B11R0.2 CC(C)C[C@H](N)COCCCO 34a_100011830311_100000230001 [0,2,0,0,0,0|1,0,1]=4 5086 B11R0.2 CC(O)CC(=O)CCCCCO 1458a_100102619762_100011218427 [0,2,0,0,0,0|1,0,1]=4 5087 B11R0.2 CCC/C=C/CC(=O)CC(C)C 1458a_200016266809_100000210624 [0,2,0,0,0,0|1,0,1]=4 5088 B11R0.2 CCC/C=C/CC(=O)CC(C)O 1458a_200016266809_100011218427 [0,2,0,0,0,0|1,0,1]=4 5089 B11R0.2 CCCCC=CC(=O)CC(C)C 1458a_100016266645_100000210624 [0,2,0,0,0,0|1,0,1]=4 5090 B11R0.2 CCCCC=CC(=O)CC(C)O 1458a_100016266645_100011218427 [0,2,0,0,0,0|0,0,1]=3 5091 B11R0.2 CCCCC=CC(=O)CC(F)F 1458a_100016266645_100011934356 [0,2,0,0,0,0|1,0,1]=4 5092 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100000210554_100000210757 [0,2,0,0,0,0|1,0,1]=4 5093 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100102632555_100000210624 [0,2,0,0,0,0|1,0,1]=4 5094 B11R0.2 CCCCCCC(=O)CC(C)O 1458a_100102632555_100011218427 [0,2,0,0,0,0|0,0,1]=3 5095 B11R0.2 CCCCCCC(=O)CC(F)F 1458a_100102632555_100011934356 [0,2,0,0,0,0|1,0,1]=4 5096 B11R0.2 CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210757 [0,2,0,0,0,0|0,0,1]=3 5097 B11R0.2 CCCCCCN(C)CC(C)O 2230a_100000227577_100000210314 [0,2,0,0,0,0|1,0,1]=4 5098 B11R0.2 CCCCCCN(C)CC(C)O 2230a_106256046315_100011218427 [0,2,0,0,0,0|1,0,1]=4 5099 B11R0.2 CCCCCCN(C)CC(C)O 269982a_100000227577_100000210757 [0,2,0,0,0,0|1,0,1]=4 5100 B11R0.2 CCCCCCN(C)CC(C)O 269982a_106256046315_100011218427 [0,2,0,0,0,0|1,0,1]=4 5101 B11R0.2 CCCCCCN(C)C[C@@H](C)O 2230a_106256046315_100009817552 [0,2,0,0,0,0|1,0,1]=4 5102 B11R0.2 CCCCCCN(C)C[C@@H](C)O 269982a_106256046315_100009817552 [0,2,0,0,0,0|1,0,1]=4 5103 B11R0.2 CCCCCNC(=O)CC(C)C 11a_100000209983_100000210554 [0,2,0,0,0,0|2,0,0]=4 5104 B11R0.2 CCCCCNC(=O)CC(C)C 1626a_100000209983_100000210554 [0,2,0,0,0,0|2,0,0]=4 5105 B11R0.2 CCCCCNC(=O)CC(C)C 240690a_100000209983_100000210554 [0,2,0,0,0,0|2,0,0]=4 5106 B11R0.2 CCCCCNC(=O)CC(C)C 527a_100000209983_100000210554 [0,2,0,0,0,0|2,0,0]=4 5107 B11R0.2 CCCCCNC(=O)C[C@@H](C)O 240690a_100000209983_100011933948 [0,2,0,0,0,0|1,0,0]=3 5108 B11R0.2 CCCCNNC(=O)C[C@@H](C)O 22a_100025702795_100011933948 [0,2,0,0,0,0|2,0,0]=4 5109 B11R0.2 CCCCOCC(=O)CC(C)O 1458a_100000757543_100011218427 [0,2,0,0,0,0|1,0,1]=4 5110 B11R0.2 CCCCOCC(=O)C[C@@H](C)O 1458a_100011933948_100011995733 [0,2,0,0,0,0|1,0,1]=4 5111 B11R0.2 CCCCSCC(=O)CC(C)O 1458a_100000191162_100011218427 [0,2,0,0,0,0|1,0,1]=4 5112 B11R0.2 CCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215938 [0,2,0,0,0,0|1,0,1]=4 5113 B11R0.2 CCOCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012232248 [0,2,0,0,0,0|1,0,1]=4 5114 B11R0.2 CCOCCNC(=O)C[C@@H](C)O 240690a_100011200944_100011933948 [0,2,0,0,0,0|2,0,0]=4 5115 B11R0.2 CCSCCNC(=O)C[C@@H](C)O 240690a_100000106463_100011933948 [0,2,0,0,0,0|2,0,0]=4 5116 B11R0.2 COCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000755781 [0,2,0,0,0,0|1,0,1]=4 5117 B11R0.2 COCCCNC(=O)C[C@@H](C)O 240690a_100150723488_100011933948 [0,2,0,0,0,0|2,0,0]=4 5118 B11R0.2 CSCCCNC(=O)C[C@@H](C)O 240690a_100000749238_100011933948 [0,2,0,0,0,0|2,0,0]=4 5119 B11R0.2 C[C@@H](O)CC(=O)CCCCCF 1458a_100011933948_100000729378 [0,2,0,0,0,0|1,0,1]=4 5120 B11R0.2 C[C@@H](O)CC(=O)CCCCCO 1458a_100011933948_100000746330 [0,2,0,0,0,0|1,0,1]=4 5121 B11R0.2 C[C@@H](O)CC(=O)NCCCCO 240690a_100000750430_100011933948 [0,2,0,0,0,0|2,0,0]=4 5122 B11R0.4 C#CCC(=O)C=CCCCCC 1458a_100016263427_100000184674 [0,2,0,0,0,0|1,0,1]=4 5123 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100000694772_100000211926 [0,2,0,0,0,0|0,0,2]=4 5124 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100011216618_100012094781 [0,2,0,0,0,0|0,0,2]=4 5125 B11R0.4 C#CCCCCNC(=O)CCO 240690a_100000706060_100011216618 [0,2,0,0,0,0|1,0,1]=4 5126 B11R0.4 C=CCC(=O)C=CCCCCC 1458a_100016263427_100000210623 [0,2,0,0,0,0|1,0,1]=4 5127 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011216618_100000700193 [0,2,0,0,0,0|0,0,2]=4 5128 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011934241_100000211926 [0,2,0,0,0,0|0,0,2]=4 5129 B11R0.4 C=CCCCCNC(=O)CCO 240690a_100000703577_100011216618 [0,2,0,0,0,0|1,0,1]=4 5130 B11R0.4 CC(CCO)NCCCCCO 2230a_100000762737_100009893172 [0,2,0,0,0,0|1,0,1]=4 5131 B11R0.4 CC(CCO)NCCCCCO 34a_100000762737_100009893172 [0,2,0,0,0,0|1,0,1]=4 5132 B11R0.4 CC(CCO)OCCCCCBr 34a_100000746331_100009893172 [0,2,0,0,0,0|1,0,1]=4 5133 B11R0.4 CC(CCO)OCCCCCBr 7a_100000746331_100009893172 [0,2,0,0,0,0|1,0,1]=4 5134 B11R0.4 CC(CCO)OCCCCCCl 34a_100000746330_100009893172 [0,2,0,0,0,0|1,0,1]=4 5135 B11R0.4 CC(CCO)OCCCCCCl 7a_100000746330_100009893172 [0,2,0,0,0,0|1,0,1]=4 5136 B11R0.4 CC(CCO)OCCCCCI 34a_200012148887_100009893172 [0,2,0,0,0,0|1,0,1]=4 5137 B11R0.4 CC(CCO)OCCCCCI 7a_200012148887_100009893172 [0,2,0,0,0,0|1,0,1]=4 5138 B11R0.4 CC(CCO)OCCCCCN 34a_100000762737_100009893172 [0,2,0,0,0,0|1,0,1]=4 5139 B11R0.4 CC(CCO)SCCCCCF 62a_100000729378_100009893172 [0,2,0,0,0,0|1,0,1]=4 5140 B11R0.4 CC(CCO)SCCCCCF 62a_100009893172_100000729378 [0,2,0,0,0,0|1,0,1]=4 5141 B11R0.4 CC(CCO)SCCCCCO 62a_100000746330_100009893172 [0,2,0,0,0,0|1,0,1]=4 5142 B11R0.4 CC(CCO)SCCCCCO 62a_100009893172_100000746330 [0,2,0,0,0,0|1,0,1]=4 5143 B11R0.4 CCC/C=C/C=CC(=O)CCO 1458a_200016258893_100000211926 [0,2,0,0,0,0|0,0,2]=4 5144 B11R0.4 CCC/C=C/COC(C)CCC 34a_100016278788_100000766640 [0,2,0,0,0,0|1,0,0]=3 5145 B11R0.4 CCC/C=C/COC(C)CCC 7a_100016278788_100000766640 [0,2,0,0,0,0|1,0,0]=3 5146 B11R0.4 CCC/C=C/COC(C)CCO 34a_100016278788_100009893172 [0,2,0,0,0,0|2,0,0]=4 5147 B11R0.4 CCC/C=C/COC(C)CCO 7a_100016278788_100009893172 [0,2,0,0,0,0|2,0,0]=4 5148 B11R0.4 CCC/C=C/COC(C)COC 34a_100016278788_100000765312 [0,2,0,0,0,0|2,0,0]=4 5149 B11R0.4 CCC/C=C/COC(C)COC 7a_100016278788_100000765312 [0,2,0,0,0,0|2,0,0]=4 5150 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,2,0,0,0,0|1,0,1]=4 5151 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,2,0,0,0,0|0,0,2]=4 5152 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,2,0,0,0,0|0,0,2]=4 5153 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,2,0,0,0,0|1,0,1]=4 5154 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [0,2,0,0,0,0|2,0,0]=4 5155 B11R0.4 CCCC(=O)NCCCOCC 11a_100000210961_100000211992 [0,2,0,0,0,0|2,0,0]=4 5156 B11R0.4 CCCC(=O)NCCCOCC 1626a_100000210961_100000211992 [0,2,0,0,0,0|2,0,0]=4 5157 B11R0.4 CCCC(=O)NCCCOCC 240690a_100000210961_100000211992 [0,2,0,0,0,0|2,0,0]=4 5158 B11R0.4 CCCC(=O)NCCCOCC 527a_100000210961_100000211992 [0,2,0,0,0,0|2,0,0]=4 5159 B11R0.4 CCCC(C)CCCOCCO 34a_100011713154_100000211926 [0,2,0,0,0,0|0,0,2]=4 5160 B11R0.4 CCCC(C)CCCOCCO 7a_100011713154_100000211926 [0,2,0,0,0,0|0,0,2]=4 5161 B11R0.4 CCCC(C)CCOCCCO 34a_100011217855_100000230001 [0,2,0,0,0,0|0,0,2]=4 5162 B11R0.4 CCCC(C)CCOCCCO 7a_100011217855_100011215043 [0,2,0,0,0,0|0,0,2]=4 5163 B11R0.4 CCCC(C)CCOCCOC 34a_100011217855_100011201679 [0,2,0,0,0,0|1,0,1]=4 5164 B11R0.4 CCCC(C)CCOCCOC 7a_100011217855_100000233755 [0,2,0,0,0,0|1,0,1]=4 5165 B11R0.4 CCCC(C)CNCCCCO 2230a_100000750430_100011216630 [0,2,0,0,0,0|0,0,2]=4 5166 B11R0.4 CCCC(C)CNCCCCO 270004a_100000750430_100000243154 [0,2,0,0,0,0|0,0,2]=4 5167 B11R0.4 CCCC(C)CNCCCCO 34a_100000750430_100011216630 [0,2,0,0,0,0|0,0,2]=4 5168 B11R0.4 CCCC(C)CNCCCOC 270004a_100150723488_100000243154 [0,2,0,0,0,0|1,0,1]=4 5169 B11R0.4 CCCC(C)CNCCCOC 34a_100150723488_100011216630 [0,2,0,0,0,0|1,0,1]=4 5170 B11R0.4 CCCC(C)COCCCCO 34a_100000688023_100011216708 [0,2,0,0,0,0|0,0,2]=4 5171 B11R0.4 CCCC(C)COCCCCO 7a_100000688023_100000210776 [0,2,0,0,0,0|0,0,2]=4 5172 B11R0.4 CCCC(C)COCCCOC 34a_100000688023_100000740836 [0,2,0,0,0,0|1,0,1]=4 5173 B11R0.4 CCCC(C)COCCCOC 34a_100000740835_100011216630 [0,2,0,0,0,0|1,0,1]=4 5174 B11R0.4 CCCC(C)COCCCOC 7a_100000688023_100000740836 [0,2,0,0,0,0|1,0,1]=4 5175 B11R0.4 CCCC(C)CSCCCCO 62a_100000210776_100011216630 [0,2,0,0,0,0|0,0,2]=4 5176 B11R0.4 CCCC(C)CSCCCCO 62a_100011216630_100000210776 [0,2,0,0,0,0|0,0,2]=4 5177 B11R0.4 CCCC(C)CSCCCOC 62a_100000709357_100011216630 [0,2,0,0,0,0|1,0,1]=4 5178 B11R0.4 CCCC(C)CSCCCOC 62a_100011216630_100000709357 [0,2,0,0,0,0|1,0,1]=4 5179 B11R0.4 CCCC(C)NCCCCCO 2230a_100000741246_100000746330 [0,2,0,0,0,0|0,0,2]=4 5180 B11R0.4 CCCC(C)NCCCCCO 2230a_100000762737_100000766640 [0,2,0,0,0,0|0,0,2]=4 5181 B11R0.4 CCCC(C)NCCCCCO 270004a_100000762737_100000211909 [0,2,0,0,0,0|0,0,2]=4 5182 B11R0.4 CCCC(C)NCCCCCO 34a_100000762737_100000766640 [0,2,0,0,0,0|0,0,2]=4 5183 B11R0.4 CCCC(C)NCCOCCO 2230a_100000211614_100000766640 [0,2,0,0,0,0|1,0,1]=4 5184 B11R0.4 CCCC(C)NCCOCCO 2230a_100000741246_100011215305 [0,2,0,0,0,0|1,0,1]=4 5185 B11R0.4 CCCC(C)NCCOCCO 270004a_100000211614_100000211909 [0,2,0,0,0,0|1,0,1]=4 5186 B11R0.4 CCCC(C)NCCOCCO 34a_100000211614_100000766640 [0,2,0,0,0,0|1,0,1]=4 5187 B11R0.4 CCCC(C)NCCSCCO 2230a_100011219999_100000766640 [0,2,0,0,0,0|1,0,1]=4 5188 B11R0.4 CCCC(C)NCCSCCO 270004a_100011219999_100000211909 [0,2,0,0,0,0|1,0,1]=4 5189 B11R0.4 CCCC(C)OCCCCCO 34a_100000764384_100000746330 [0,2,0,0,0,0|0,0,2]=4 5190 B11R0.4 CCCC(C)OCCCCCO 7a_100000764384_100000746330 [0,2,0,0,0,0|0,0,2]=4 5191 B11R0.4 CCCC(C)OCCOCCO 34a_100000764384_100000692535 [0,2,0,0,0,0|1,0,1]=4 5192 B11R0.4 CCCC(C)OCCOCCO 7a_100000764384_100011215305 [0,2,0,0,0,0|1,0,1]=4 5193 B11R0.4 CCCC(C)SCCCCCO 62a_100000746330_100000766640 [0,2,0,0,0,0|0,0,2]=4 5194 B11R0.4 CCCC(C)SCCCCCO 62a_100000766640_100000746330 [0,2,0,0,0,0|0,0,2]=4 5195 B11R0.4 CCCC(C)SCCOCCO 62a_100000766640_100011215305 [0,2,0,0,0,0|1,0,1]=4 5196 B11R0.4 CCCC(C)SCCOCCO 62a_100011215305_100000766640 [0,2,0,0,0,0|1,0,1]=4 5197 B11R0.4 CCCC/C=C/CC(=O)CCC 1458a_200016282684_100000210303 [0,2,0,0,0,0|1,0,1]=4 5198 B11R0.4 CCCC/C=C/CC(=O)CCF 1458a_200016282684_100011217306 [0,2,0,0,0,0|1,0,1]=4 5199 B11R0.4 CCCC/C=C/CC(=O)CCO 1458a_200016282684_100000211926 [0,2,0,0,0,0|0,0,1]=3 5200 B11R0.4 CCCCCC#CC(=O)CCC 1458a_100011215388_100000210303 [0,2,0,0,0,0|1,0,1]=4 5201 B11R0.4 CCCCCC#CC(=O)CCF 1458a_100011215388_100011217306 [0,2,0,0,0,0|1,0,1]=4 5202 B11R0.4 CCCCCC#CC(=O)CCO 1458a_100011215388_100000211926 [0,2,0,0,0,0|0,0,1]=3 5203 B11R0.4 CCCCCC=CC(=O)CC#N 1458a_100016263427_100011214920 [0,2,0,0,0,0|1,0,1]=4 5204 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [0,2,0,0,0,0|1,0,0]=3 5205 B11R0.4 CCCCCC=CC(=O)CCF 1458a_100016263427_100011217306 [0,2,0,0,0,0|1,0,0]=3 5206 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [0,2,0,0,0,0|0,0,0]=2 5207 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [0,2,0,0,0,0|1,0,1]=4 5208 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [0,2,0,0,0,0|1,0,1]=4 5209 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,2,0,0,0,0|1,0,1]=4 5210 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,2,0,0,0,0|1,0,1]=4 5211 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,2,0,0,0,0|1,0,1]=4 5212 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,2,0,0,0,0|0,0,1]=3 5213 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,2,0,0,0,0|0,0,1]=3 5214 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [0,2,0,0,0,0|0,0,2]=4 5215 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [0,2,0,0,0,0|0,0,2]=4 5216 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [0,2,0,0,0,0|0,0,2]=4 5217 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [0,2,0,0,0,0|0,0,2]=4 5218 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,2,0,0,0,0|1,0,1]=4 5219 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,2,0,0,0,0|1,0,1]=4 5220 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,2,0,0,0,0|1,0,1]=4 5221 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,2,0,0,0,0|1,0,1]=4 5222 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,2,0,0,0,0|0,0,1]=3 5223 B11R0.4 CCCCCCNC(C)CCO 2230a_100000210581_100009893172 [0,2,0,0,0,0|0,0,2]=4 5224 B11R0.4 CCCCCCNC(C)COC 2230a_100000210581_100000765312 [0,2,0,0,0,0|1,0,1]=4 5225 B11R0.4 CCCCCCNC(C)COC 270004a_100000210581_100000749346 [0,2,0,0,0,0|1,0,1]=4 5226 B11R0.4 CCCCCCN[C@H](C)CCO 2230a_100000706166_100000210314 [0,2,0,0,0,0|0,0,2]=4 5227 B11R0.4 CCCCCCN[C@H](C)CCO 34a_100000706166_100000210314 [0,2,0,0,0,0|0,0,2]=4 5228 B11R0.4 CCCCCCN[C@H](C)COC 2230a_100000764878_100000210314 [0,2,0,0,0,0|1,0,1]=4 5229 B11R0.4 CCCCCCOC(C)CCO 34a_100000210259_100009893172 [0,2,0,0,0,0|0,0,2]=4 5230 B11R0.4 CCCCCCOC(C)CCO 7a_100000210259_100009893172 [0,2,0,0,0,0|0,0,2]=4 5231 B11R0.4 CCCCCCOC(C)COC 34a_100000210259_100000765312 [0,2,0,0,0,0|1,0,1]=4 5232 B11R0.4 CCCCCCOC(C)COC 7a_100000210259_100000765312 [0,2,0,0,0,0|1,0,1]=4 5233 B11R0.4 CCCCCCO[C@H](C)COC 34a_100011934205_100000210314 [0,2,0,0,0,0|1,0,1]=4 5234 B11R0.4 CCCCCCSC(C)CCO 62a_100000210314_100009893172 [0,2,0,0,0,0|0,0,2]=4 5235 B11R0.4 CCCCCCSC(C)CCO 62a_100009893172_100000210757 [0,2,0,0,0,0|0,0,2]=4 5236 B11R0.4 CCCCCCSC(C)COC 62a_100000210314_100000765312 [0,2,0,0,0,0|1,0,1]=4 5237 B11R0.4 CCCCCCSC(C)COC 62a_100000765312_100000210757 [0,2,0,0,0,0|1,0,1]=4 5238 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [0,2,0,0,0,0|1,0,1]=4 5239 B11R0.4 CCCCCNCC(=O)NCO 2230a_100000209983_100000185155 [0,2,0,0,0,0|1,0,1]=4 5240 B11R0.4 CCCCCNCC(O)COC 2230a_100000756049_100000210326 [0,2,0,0,0,0|1,0,1]=4 5241 B11R0.4 CCCCCNCC(O)COC 34a_100000756049_100000718602 [0,2,0,0,0,0|1,0,1]=4 5242 B11R0.4 CCCCCNN=C(C)CCC 4a_100000694160_100000211909 [0,2,0,0,0,0|2,0,0]=4 5243 B11R0.4 CCCCCNNC(=O)CCC 22a_100000694160_100000211992 [0,2,0,0,0,0|2,0,0]=4 5244 B11R0.4 CCCCCNNC(=O)CCO 22a_100000694160_100011216618 [0,2,0,0,0,0|1,0,0]=3 5245 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [0,2,0,0,0,0|1,0,1]=4 5246 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [0,2,0,0,0,0|1,0,1]=4 5247 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [0,2,0,0,0,0|1,0,1]=4 5248 B11R0.4 CCCCCOCC(N)COC 34a_100000724102_100000718602 [0,2,0,0,0,0|1,0,1]=4 5249 B11R0.4 CCCCCOCC(O)COC 34a_100000210253_100011215053 [0,2,0,0,0,0|1,0,1]=4 5250 B11R0.4 CCCCCOCC(O)COC 7a_100000210253_100011215053 [0,2,0,0,0,0|1,0,1]=4 5251 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [0,2,0,0,0,0|1,0,1]=4 5252 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [0,2,0,0,0,0|1,0,1]=4 5253 B11R0.4 CCCCCSCC(=O)NCO 62a_100000185155_100000210326 [0,2,0,0,0,0|1,0,1]=4 5254 B11R0.4 CCCCCSCC(=O)NCO 62a_100000210326_100000185155 [0,2,0,0,0,0|1,0,1]=4 5255 B11R0.4 CCCCCSCC(O)COC 62a_100000210326_100011215053 [0,2,0,0,0,0|1,0,1]=4 5256 B11R0.4 CCCCCSCC(O)COC 62a_100011215053_100000210326 [0,2,0,0,0,0|1,0,1]=4 5257 B11R0.4 CCCCNCOC(=O)CCC 2230a_100000102301_100000034017 [0,2,0,0,0,0|2,0,0]=4 5258 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [0,2,0,0,0,0|1,0,1]=4 5259 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [0,2,0,0,0,0|0,0,1]=3 5260 B11R0.4 CCCCOCCN(C)CCO 2230a_100000210263_100000743108 [0,2,0,0,0,0|1,0,1]=4 5261 B11R0.4 CCCCOCCN(C)CCO 269982a_100000210263_100000743108 [0,2,0,0,0,0|1,0,1]=4 5262 B11R0.4 CCCCOCN[C@H](C)CCO 2230a_100000706166_100011995733 [0,2,0,0,0,0|1,0,1]=4 5263 B11R0.4 CCCCOCN[C@H](C)CCO 34a_100000706166_100011995733 [0,2,0,0,0,0|1,0,1]=4 5264 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [0,2,0,0,0,0|2,0,0]=4 5265 B11R0.4 CCCCOCSC(C)CCO 62a_100009893172_100011995733 [0,2,0,0,0,0|1,0,1]=4 5266 B11R0.4 CCCCOCSC(C)CCO 62a_100011995733_100009893172 [0,2,0,0,0,0|1,0,1]=4 5267 B11R0.4 CCCCSCOC(=O)CCC 62a_100000210211_100000034017 [0,2,0,0,0,0|2,0,0]=4 5268 B11R0.4 CCCN(C)CCCCCCO 2230a_100000747261_100000766143 [0,2,0,0,0,0|0,0,2]=4 5269 B11R0.4 CCCN(C)CCCCCCO 269982a_100000747261_100000766143 [0,2,0,0,0,0|0,0,2]=4 5270 B11R0.4 CCCOCCNC(=O)CCC 1626a_100161115042_100000211992 [0,2,0,0,0,0|2,0,0]=4 5271 B11R0.4 CCCOCCNC(=O)CCC 240690a_100161115042_100000211992 [0,2,0,0,0,0|2,0,0]=4 5272 B11R0.4 CCCOCCNC(=O)CCC 527a_100161115042_100000211992 [0,2,0,0,0,0|2,0,0]=4 5273 B11R0.4 CCCOCCNC(=O)CCO 240690a_100161115042_100011216618 [0,2,0,0,0,0|1,0,0]=3 5274 B11R0.4 CCCOCCNC(C)CCO 2230a_100161115042_100009893172 [0,2,0,0,0,0|1,0,1]=4 5275 B11R0.4 CCCOCCNC(C)CCO 34a_100161115042_100009893172 [0,2,0,0,0,0|1,0,1]=4 5276 B11R0.4 CCCOCCN[C@H](C)CCO 2230a_100000706166_100011215938 [0,2,0,0,0,0|1,0,1]=4 5277 B11R0.4 CCCOCCN[C@H](C)CCO 34a_100000706166_100011215938 [0,2,0,0,0,0|1,0,1]=4 5278 B11R0.4 CCCOCCOC(C)CCO 34a_100000752267_100009893172 [0,2,0,0,0,0|1,0,1]=4 5279 B11R0.4 CCCOCCOC(C)CCO 7a_100000752267_100009893172 [0,2,0,0,0,0|1,0,1]=4 5280 B11R0.4 CCCOCCSC(C)CCO 62a_100009893172_100011215938 [0,2,0,0,0,0|1,0,1]=4 5281 B11R0.4 CCCOCCSC(C)CCO 62a_100011215938_100009893172 [0,2,0,0,0,0|1,0,1]=4 5282 B11R0.4 CCCSCCNC(=O)CCC 11a_100020603323_100000211992 [0,2,0,0,0,0|2,0,0]=4 5283 B11R0.4 CCCSCCNC(=O)CCC 240690a_100020603323_100000211992 [0,2,0,0,0,0|2,0,0]=4 5284 B11R0.4 CCCSCCNC(=O)CCC 527a_100020603323_100000211992 [0,2,0,0,0,0|2,0,0]=4 5285 B11R0.4 CCCSCCNC(=O)CCO 240690a_100020603323_100011216618 [0,2,0,0,0,0|1,0,0]=3 5286 B11R0.4 CCCSCCNC(C)CCO 2230a_100020603323_100009893172 [0,2,0,0,0,0|1,0,1]=4 5287 B11R0.4 CCCSCCOC(C)CCO 34a_200000230433_100009893172 [0,2,0,0,0,0|1,0,1]=4 5288 B11R0.4 CCCSCCOC(C)CCO 7a_200000230433_100009893172 [0,2,0,0,0,0|1,0,1]=4 5289 B11R0.4 CCC[C@H](N)CCOCCCO 34a_100015193777_100000230001 [0,2,0,0,0,0|0,0,2]=4 5290 B11R0.4 CCC[C@H](N)CCOCCOC 34a_100015193777_100011201679 [0,2,0,0,0,0|1,0,1]=4 5291 B11R0.4 CCC[C@H](N)COCCCCO 34a_100000732646_100011216708 [0,2,0,0,0,0|0,0,2]=4 5292 B11R0.4 CCC[C@H](N)COCCCOC 34a_100000732646_100000740836 [0,2,0,0,0,0|1,0,1]=4 5293 B11R0.4 CCOCCCNC(=O)CCO 240690a_100000210961_100011216618 [0,2,0,0,0,0|1,0,0]=3 5294 B11R0.4 CCOCCCNC(C)CCO 2230a_100000210961_100009893172 [0,2,0,0,0,0|1,0,1]=4 5295 B11R0.4 CCOCCCNC(C)CCO 34a_100000210961_100009893172 [0,2,0,0,0,0|1,0,1]=4 5296 B11R0.4 CCOCCCN[C@H](C)CCO 2230a_100000706166_100012232248 [0,2,0,0,0,0|1,0,1]=4 5297 B11R0.4 CCOCCCN[C@H](C)CCO 34a_100000706166_100012232248 [0,2,0,0,0,0|1,0,1]=4 5298 B11R0.4 CCOCCCOC(C)CCO 34a_100000757476_100009893172 [0,2,0,0,0,0|1,0,1]=4 5299 B11R0.4 CCOCCCOC(C)CCO 7a_100000757476_100009893172 [0,2,0,0,0,0|1,0,1]=4 5300 B11R0.4 CCOCCCSC(C)CCO 62a_100009893172_100012232248 [0,2,0,0,0,0|1,0,1]=4 5301 B11R0.4 CCOCCCSC(C)CCO 62a_100012232248_100009893172 [0,2,0,0,0,0|1,0,1]=4 5302 B11R0.4 CCOCCNNC(=O)CCO 22a_100000732670_100011216618 [0,2,0,0,0,0|2,0,0]=4 5303 B11R0.4 CCSCCCOC(C)CCO 34a_100011216438_100009893172 [0,2,0,0,0,0|1,0,1]=4 5304 B11R0.4 CCSCCCOC(C)CCO 7a_100011216438_100009893172 [0,2,0,0,0,0|1,0,1]=4 5305 B11R0.4 CN(CCO)CCCCCCF 2230a_100000210263_100015922095 [0,2,0,0,0,0|1,0,1]=4 5306 B11R0.4 CN(CCO)CCCCCCF 269982a_100000210263_100015922095 [0,2,0,0,0,0|1,0,1]=4 5307 B11R0.4 CN(CCO)CCCCCCO 2230a_100000210263_100000766143 [0,2,0,0,0,0|1,0,1]=4 5308 B11R0.4 CN(CCO)CCCCCCO 269982a_100000210263_100000766143 [0,2,0,0,0,0|1,0,1]=4 5309 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [0,2,0,0,0,0|1,0,1]=4 5310 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [0,2,0,0,0,0|0,0,1]=3 5311 B11R0.4 COCCCCN[C@H](C)CCO 2230a_100000706166_100000730899 [0,2,0,0,0,0|1,0,1]=4 5312 B11R0.4 COCCCCN[C@H](C)CCO 34a_100000706166_100000755781 [0,2,0,0,0,0|1,0,1]=4 5313 B11R0.4 COCCCCOC(C)CCO 34a_100000740925_100009893172 [0,2,0,0,0,0|1,0,1]=4 5314 B11R0.4 COCCCCSC(C)CCO 62a_100000730899_100009893172 [0,2,0,0,0,0|1,0,1]=4 5315 B11R0.4 COCCCCSC(C)CCO 62a_100009893172_100000730899 [0,2,0,0,0,0|1,0,1]=4 5316 B11R0.4 COCCCNNC(=O)CCO 22a_100025702787_100011216618 [0,2,0,0,0,0|2,0,0]=4 5317 B11R0.4 COCCOCCC(=O)CCO 1458a_100000745395_100000211926 [0,2,0,0,0,0|1,0,1]=4 5318 B11R0.4 COCCOCCC(=O)CCO 1458a_100011216618_100000695917 [0,2,0,0,0,0|1,0,1]=4 5319 B11R0.4 CSCCCCOC(C)CCO 34a_100011217163_100009893172 [0,2,0,0,0,0|1,0,1]=4 5320 B11R0.4 CSCCCCOC(C)CCO 7a_100011217163_100009893172 [0,2,0,0,0,0|1,0,1]=4 5321 B11R0.4 C[C@H](CCO)NCCCCCF 2230a_100000706166_100000729378 [0,2,0,0,0,0|1,0,1]=4 5322 B11R0.4 C[C@H](CCO)NCCCCCF 34a_100000706166_100000729378 [0,2,0,0,0,0|1,0,1]=4 5323 B11R0.4 C[C@H](CCO)NCCCCCO 2230a_100000706166_100000746330 [0,2,0,0,0,0|1,0,1]=4 5324 B11R0.4 C[C@H](CCO)NCCCCCO 34a_100000706166_100000746330 [0,2,0,0,0,0|1,0,1]=4 5325 B11R0.4 N#CCCCCCC(=O)CCO 1458a_100011216618_100009813376 [0,2,0,0,0,0|0,0,2]=4 5326 B11R0.4 N#CCCCCNC(=O)CCO 240690a_100000751965_100011216618 [0,2,0,0,0,0|1,0,1]=4 5327 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [0,2,0,0,0,0|1,0,1]=4 5328 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [0,2,0,0,0,0|0,0,1]=3 5329 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [0,2,0,0,0,0|0,0,1]=3 5330 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [0,2,0,0,0,0|0,0,1]=3 5331 B11R0.4 O=C(CCO)NCCCCCO 240690a_100000762737_100011216618 [0,2,0,0,0,0|1,0,0]=3 5332 B11R0.4 O=C(CCO)NCCOCCO 240690a_100000211614_100011216618 [0,2,0,0,0,0|2,0,0]=4 5333 B11R0.4 O=C(CCO)NCCSCCO 240690a_100011219999_100011216618 [0,2,0,0,0,0|2,0,0]=4 5334 B11R0.5 C=C(CCC)CC(=O)CCCO 1458a_100000138376_100011215043 [0,2,0,0,0,0|0,0,2]=4 5335 B11R0.5 C=C(CCC)CC(=O)NCCO 240690a_100000210304_100000138376 [0,2,0,0,0,0|1,0,1]=4 5336 B11R0.5 C=C(CCC)CC(=O)NCCO 527a_100000210304_100000138376 [0,2,0,0,0,0|1,0,1]=4 5337 B11R0.5 CCC=CC(=O)CC(C)CCC 1458a_100000212282_100011216630 [0,2,0,0,0,0|1,0,1]=4 5338 B11R0.5 CCCC(C)CC(=O)C#CCO 1458a_100000049017_100011216630 [0,2,0,0,0,0|0,0,2]=4 5339 B11R0.5 CCCC(C)CC(=O)CCCF 1458a_100000748435_100011934791 [0,2,0,0,0,0|1,0,1]=4 5340 B11R0.5 CCCC(C)CC(=O)CCCO 1458a_100000748435_100011215043 [0,2,0,0,0,0|0,0,1]=3 5341 B11R0.5 CCCC(C)CC(=O)NCCF 11a_100000724931_100000748435 [0,2,0,0,0,0|2,0,0]=4 5342 B11R0.5 CCCC(C)CC(=O)NCCF 1626a_100000724931_100000748435 [0,2,0,0,0,0|2,0,0]=4 5343 B11R0.5 CCCC(C)CC(=O)NCCF 240690a_100000724931_100000748435 [0,2,0,0,0,0|2,0,0]=4 5344 B11R0.5 CCCC(C)CC(=O)NCCF 527a_100000724931_100000748435 [0,2,0,0,0,0|2,0,0]=4 5345 B11R0.5 CCCC(C)CC(=O)NCCO 240690a_100000210304_100000748435 [0,2,0,0,0,0|1,0,0]=3 5346 B11R0.5 CCCC(C)CC(=O)NCCO 527a_100000210304_100000748435 [0,2,0,0,0,0|1,0,0]=3 5347 B11R0.5 CCCC(C)CN(C)CCCO 2230a_100000213112_100011216630 [0,2,0,0,0,0|1,0,1]=4 5348 B11R0.5 CCCC(C)CN(C)CCCO 269982a_100000213112_100011216630 [0,2,0,0,0,0|1,0,1]=4 5349 B11R0.5 CCCC(C)CN(C)CCCO 270004a_100000213112_100000243154 [0,2,0,0,0,0|1,0,1]=4 5350 B11R0.5 CCCC(C)NC(=O)NCCO 2708a_100000741246_100000210304 [0,2,0,0,0,0|2,0,0]=4 5351 B11R0.5 CCCC(C)NC(=O)NCCO 273464a_100000741246_100000210304 [0,2,0,0,0,0|2,0,0]=4 5352 B11R0.5 CCCC(C)NC(=O)NCCO 512a_100000741246_100000210304 [0,2,0,0,0,0|2,0,0]=4 5353 B11R0.5 CCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210211 [0,2,0,0,0,0|1,0,1]=4 5354 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000210183_100011216630 [0,2,0,0,0,0|1,0,1]=4 5355 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000748435_100000210211 [0,2,0,0,0,0|1,0,1]=4 5356 B11R0.5 CCCCC(C)NC(=O)CCC 11a_100000126638_100000211992 [0,2,0,0,0,0|2,0,0]=4 5357 B11R0.5 CCCCC(C)NC(=O)CCC 1626a_100000126638_100000211992 [0,2,0,0,0,0|2,0,0]=4 5358 B11R0.5 CCCCC(C)NC(=O)CCC 240690a_100000126638_100000211992 [0,2,0,0,0,0|2,0,0]=4 5359 B11R0.5 CCCCC(C)NC(=O)CCC 527a_100000126638_100000211992 [0,2,0,0,0,0|2,0,0]=4 5360 B11R0.5 CCCCC(C)NC(=O)CCO 240690a_100000126638_100011216618 [0,2,0,0,0,0|1,0,0]=3 5361 B11R0.5 CCCCC(C)NC(C)CCO 2230a_100000126638_100009893172 [0,2,0,0,0,0|1,0,1]=4 5362 B11R0.5 CCCCC(C)N[C@H](C)CCO 2230a_100000706166_200011215066 [0,2,0,0,0,0|1,0,1]=4 5363 B11R0.5 CCCCC(C)N[C@H](C)CCO 270004a_100000706166_100000210087 [0,2,0,0,0,0|1,0,1]=4 5364 B11R0.5 CCCCC(C)N[C@H](C)CCO 34a_100000706166_200011215066 [0,2,0,0,0,0|1,0,1]=4 5365 B11R0.5 CCCCC(C)OC(C)CCO 34a_100000687866_100009893172 [0,2,0,0,0,0|1,0,1]=4 5366 B11R0.5 CCCCC(C)OC(C)CCO 7a_100000687866_100009893172 [0,2,0,0,0,0|1,0,1]=4 5367 B11R0.5 CCCCC(C)SC(C)CCO 62a_100009893172_200011215066 [0,2,0,0,0,0|1,0,1]=4 5368 B11R0.5 CCCCC(C)SC(C)CCO 62a_200011215066_100009893172 [0,2,0,0,0,0|1,0,1]=4 5369 B11R0.5 CCCNC(=O)CC(C)CCC 11a_100020643023_100000748435 [0,2,0,0,0,0|2,0,0]=4 5370 B11R0.5 CCCNC(=O)CC(C)CCC 1626a_100020643023_100000748435 [0,2,0,0,0,0|2,0,0]=4 5371 B11R0.5 CCCNC(=O)CC(C)CCC 240690a_100020643023_100000748435 [0,2,0,0,0,0|2,0,0]=4 5372 B11R0.5 CCCNC(=O)CC(C)CCC 527a_100020643023_100000748435 [0,2,0,0,0,0|2,0,0]=4 5373 B11R0.5 CCCS(=O)CC(=O)CCCO 1458a_100011387404_100011215043 [0,2,0,0,0,0|1,0,1]=4 5374 B11R0.5 CCCS(=O)CC(=O)NCCO 240690a_100000210304_100011387404 [0,2,0,0,0,0|2,0,0]=4 5375 B11R0.5 CCCS(=O)CC(=O)NCCO 527a_100000210304_100011387404 [0,2,0,0,0,0|2,0,0]=4 5376 B11R0.5 CCSC(C)CC(=O)CCCO 1458a_200011311441_100011215043 [0,2,0,0,0,0|1,0,1]=4 5377 B11R0.5 CCSC(C)CC(=O)NCCO 240690a_100000210304_200011311441 [0,2,0,0,0,0|2,0,0]=4 5378 B11R0.5 CCSC(C)CC(=O)NCCO 527a_100000210304_200011311441 [0,2,0,0,0,0|2,0,0]=4 5379 B11R0.62 CCCC(C)CN[C@H](C)CCO 2230a_100000706166_100011216630 [0,2,0,0,0,0|1,0,1]=4 5380 B11R0.62 CCCC(C)CN[C@H](C)CCO 270004a_100000706166_100000243154 [0,2,0,0,0,0|1,0,1]=4 5381 B11R0.62 CCCC(C)CN[C@H](C)CCO 34a_100000706166_100011216630 [0,2,0,0,0,0|1,0,1]=4 5382 B11R0.62 CCCC(C)COC(C)CCO 34a_100000688023_100009893172 [0,2,0,0,0,0|1,0,1]=4 5383 B11R0.62 CCCC(C)COC(C)CCO 7a_100000688023_100009893172 [0,2,0,0,0,0|1,0,1]=4 5384 B11R0.62 CCCC(C)CSC(C)CCO 62a_100009893172_100011216630 [0,2,0,0,0,0|1,0,1]=4 5385 B11R0.62 CCCC(C)CSC(C)CCO 62a_100011216630_100009893172 [0,2,0,0,0,0|1,0,1]=4 5386 B11R0.62 CCC[C@H](N)COC(C)CCO 34a_100000732646_100009893172 [0,2,0,0,0,0|1,0,1]=4 5387 B11R0.62 COCC(O)CNC(=O)CCO 240690a_100000756049_100011216618 [0,2,0,0,0,0|2,0,0]=4 5388 B11R0.81 C#CCCC(=O)C=CCCCC 1458a_100016266645_100000753159 [0,2,0,0,0,0|1,0,1]=4 5389 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100000692101_100000210757 [0,2,0,0,0,0|1,0,1]=4 5390 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100102632555_100000753159 [0,2,0,0,0,0|1,0,1]=4 5391 B11R0.81 C#CCCC(=O)NCCCCC 11a_100000209983_100000692101 [0,2,0,0,0,0|2,0,0]=4 5392 B11R0.81 C#CCCC(=O)NCCCCC 1626a_100000209983_100000692101 [0,2,0,0,0,0|2,0,0]=4 5393 B11R0.81 C#CCCC(=O)NCCCCC 240690a_100000209983_100000692101 [0,2,0,0,0,0|2,0,0]=4 5394 B11R0.81 C#CCCC(=O)NCCCCC 527a_100000209983_100000692101 [0,2,0,0,0,0|2,0,0]=4 5395 B11R0.81 C#CCCCCC(=O)CCCO 1458a_100000696528_100011215043 [0,2,0,0,0,0|0,0,2]=4 5396 B11R0.81 C#CCCCCC(=O)NCCO 240690a_100000210304_100000696528 [0,2,0,0,0,0|1,0,1]=4 5397 B11R0.81 C#CCCCCC(=O)NCCO 527a_100000210304_100000696528 [0,2,0,0,0,0|1,0,1]=4 5398 B11R0.81 C=C(C=NNCCO)CCCC 4a_100000210001_100000211282 [0,2,0,0,0,0|1,0,1]=4 5399 B11R0.81 C=CCCC(=O)C=CCCCC 1458a_100016266645_100000754431 [0,2,0,0,0,0|1,0,1]=4 5400 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [0,2,0,0,0,0|1,0,1]=4 5401 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [0,2,0,0,0,0|1,0,1]=4 5402 B11R0.81 C=CCCC(=O)NCCCCC 11a_100000209983_100000749702 [0,2,0,0,0,0|2,0,0]=4 5403 B11R0.81 C=CCCC(=O)NCCCCC 1626a_100000209983_100000749702 [0,2,0,0,0,0|2,0,0]=4 5404 B11R0.81 C=CCCC(=O)NCCCCC 240690a_100000209983_100000749702 [0,2,0,0,0,0|2,0,0]=4 5405 B11R0.81 C=CCCC(=O)NCCCCC 527a_100000209983_100000749702 [0,2,0,0,0,0|2,0,0]=4 5406 B11R0.81 C=CCCCCC(=O)CCCO 1458a_100011215552_100011215043 [0,2,0,0,0,0|0,0,2]=4 5407 B11R0.81 C=CCCCCC(=O)NCCO 240690a_100000210304_100011215552 [0,2,0,0,0,0|1,0,1]=4 5408 B11R0.81 C=CCCCCC(=O)NCCO 527a_100000210304_100011215552 [0,2,0,0,0,0|1,0,1]=4 5409 B11R0.81 CCC/C=C/CC(=O)CCCC 1458a_200016266809_100000210211 [0,2,0,0,0,0|1,0,0]=3 5410 B11R0.81 CCC/C=C/CC(=O)CCCF 1458a_200016266809_100011934791 [0,2,0,0,0,0|1,0,1]=4 5411 B11R0.81 CCC/C=C/CC(=O)CCCO 1458a_200016266809_100011215043 [0,2,0,0,0,0|0,0,2]=4 5412 B11R0.81 CCC/C=C/CC(=O)CCOC 1458a_200016266809_100000233755 [0,2,0,0,0,0|1,0,1]=4 5413 B11R0.81 CCC/C=C/CC(=O)CCSC 1458a_200016266809_100000751147 [0,2,0,0,0,0|1,0,1]=4 5414 B11R0.81 CCC/C=C/CC(=O)NCCC 11a_100020643023_200016266809 [0,2,0,0,0,0|1,0,1]=4 5415 B11R0.81 CCC/C=C/CC(=O)NCCC 1626a_100020643023_200016266809 [0,2,0,0,0,0|1,0,1]=4 5416 B11R0.81 CCC/C=C/CC(=O)NCCC 240690a_100020643023_200016266809 [0,2,0,0,0,0|1,0,1]=4 5417 B11R0.81 CCC/C=C/CC(=O)NCCC 527a_100020643023_200016266809 [0,2,0,0,0,0|1,0,1]=4 5418 B11R0.81 CCC/C=C/CC(=O)NCCO 240690a_100000210304_200016266809 [0,2,0,0,0,0|1,0,1]=4 5419 B11R0.81 CCC/C=C/CC(=O)NCCO 527a_100000210304_200016266809 [0,2,0,0,0,0|1,0,1]=4 5420 B11R0.81 CCC=CC(=O)CCCCCC 1458a_100000212282_100000210757 [0,2,0,0,0,0|1,0,1]=4 5421 B11R0.81 CCC=CC(=O)CCCCCF 1458a_100000212282_100000729378 [0,2,0,0,0,0|1,0,1]=4 5422 B11R0.81 CCC=CC(=O)CCCCCO 1458a_100000212282_100000746330 [0,2,0,0,0,0|1,0,1]=4 5423 B11R0.81 CCC=CC(=O)CCCCOC 1458a_100000212282_100000755781 [0,2,0,0,0,0|1,0,1]=4 5424 B11R0.81 CCC=CC(=O)CCCOCC 1458a_100000212282_100012232248 [0,2,0,0,0,0|1,0,1]=4 5425 B11R0.81 CCC=CC(=O)CCOCCC 1458a_100000212282_100011215938 [0,2,0,0,0,0|1,0,1]=4 5426 B11R0.81 CCC=CC(=O)COCCCC 1458a_100000212282_100011995733 [0,2,0,0,0,0|1,0,1]=4 5427 B11R0.81 CCC=CC(=O)NCCCCC 11a_100000209983_100000212282 [0,2,0,0,0,0|1,0,1]=4 5428 B11R0.81 CCC=CC(=O)NCCCCC 1626a_100000209983_100000212282 [0,2,0,0,0,0|1,0,1]=4 5429 B11R0.81 CCC=CC(=O)NCCCCC 240690a_100000209983_100000212282 [0,2,0,0,0,0|1,0,1]=4 5430 B11R0.81 CCCCC(=O)CCCCCF 1458a_100000210183_100000729378 [0,2,0,0,0,0|1,0,1]=4 5431 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [0,2,0,0,0,0|0,0,2]=4 5432 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [0,2,0,0,0,0|0,0,2]=4 5433 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [0,2,0,0,0,0|1,0,1]=4 5434 B11R0.81 CCCCC(=O)CCCOCC 1458a_100000210183_100012232248 [0,2,0,0,0,0|1,0,1]=4 5435 B11R0.81 CCCCC(=O)CCOCCC 1458a_100000210183_100011215938 [0,2,0,0,0,0|1,0,1]=4 5436 B11R0.81 CCCCC(=O)CCOCCO 1458a_100000210183_100011215305 [0,2,0,0,0,0|1,0,1]=4 5437 B11R0.81 CCCCC(=O)CCOCCO 1458a_100011229844_100000210211 [0,2,0,0,0,0|1,0,1]=4 5438 B11R0.81 CCCCC(C)CCCCOC 34a_200011021034_200000210301 [0,2,0,0,0,0|0,0,2]=4 5439 B11R0.81 CCCCC(C)CCCCOC 7a_200011021034_200000210301 [0,2,0,0,0,0|0,0,2]=4 5440 B11R0.81 CCCCC(C)CCCCO[13CH3] 34a_200011021034_200025704644 [0,2,0,0,0,0|0,0,2]=4 5441 B11R0.81 CCCCC(C)CCCCO[13CH3] 7a_200011021034_200025704644 [0,2,0,0,0,0|0,0,2]=4 5442 B11R0.81 CCCCC(C)COCCCO 34a_100011995851_100000230001 [0,2,0,0,0,0|0,0,2]=4 5443 B11R0.81 CCCCC(C)COCCCO 7a_100011995851_100011215043 [0,2,0,0,0,0|0,0,2]=4 5444 B11R0.81 CCCCC(C)COCCOC 34a_100011995851_100011201679 [0,2,0,0,0,0|1,0,1]=4 5445 B11R0.81 CCCCC(C)COCCOC 7a_100011995851_100000233755 [0,2,0,0,0,0|1,0,1]=4 5446 B11R0.81 CCCCC(C)NCCCCO 2230a_100000126638_100000210776 [0,2,0,0,0,0|0,0,2]=4 5447 B11R0.81 CCCCC(C)NCCCCO 2230a_100000750430_200011215066 [0,2,0,0,0,0|0,0,2]=4 5448 B11R0.81 CCCCC(C)NCCCCO 270004a_100000750430_100000210087 [0,2,0,0,0,0|0,0,2]=4 5449 B11R0.81 CCCCC(C)NCCCCO 34a_100000750430_200011215066 [0,2,0,0,0,0|0,0,2]=4 5450 B11R0.81 CCCCC(C)NCCCOC 2230a_100000126638_100000740836 [0,2,0,0,0,0|1,0,1]=4 5451 B11R0.81 CCCCC(C)NCCCOC 270004a_100150723488_100000210087 [0,2,0,0,0,0|1,0,1]=4 5452 B11R0.81 CCCCC(C)NCCCOC 34a_100150723488_200011215066 [0,2,0,0,0,0|1,0,1]=4 5453 B11R0.81 CCCCC(C)OCCCCO 34a_100000687866_100011216708 [0,2,0,0,0,0|0,0,2]=4 5454 B11R0.81 CCCCC(C)OCCCCO 7a_100000687866_100000210776 [0,2,0,0,0,0|0,0,2]=4 5455 B11R0.81 CCCCC(C)OCCCOC 34a_100000687866_100000740836 [0,2,0,0,0,0|1,0,1]=4 5456 B11R0.81 CCCCC(C)OCCCOC 34a_100000740835_200011215066 [0,2,0,0,0,0|1,0,1]=4 5457 B11R0.81 CCCCC(C)OCCCOC 7a_100000687866_100000740836 [0,2,0,0,0,0|1,0,1]=4 5458 B11R0.81 CCCCC(C)SCCCCO 62a_100000210776_200011215066 [0,2,0,0,0,0|0,0,2]=4 5459 B11R0.81 CCCCC(C)SCCCCO 62a_200011215066_100000210776 [0,2,0,0,0,0|0,0,2]=4 5460 B11R0.81 CCCCC(C)SCCCOC 62a_100000709357_200011215066 [0,2,0,0,0,0|1,0,1]=4 5461 B11R0.81 CCCCC(C)SCCCOC 62a_200011215066_100000709357 [0,2,0,0,0,0|1,0,1]=4 5462 B11R0.81 CCCCC=CC(=O)CCC#N 1458a_100016266645_100011215226 [0,2,0,0,0,0|1,0,1]=4 5463 B11R0.81 CCCCC=CC(=O)CCCC 1458a_100016266645_100000210211 [0,2,0,0,0,0|1,0,1]=4 5464 B11R0.81 CCCCC=CC(=O)CCCF 1458a_100016266645_100011934791 [0,2,0,0,0,0|1,0,1]=4 5465 B11R0.81 CCCCC=CC(=O)CCCO 1458a_100016266645_100011215043 [0,2,0,0,0,0|0,0,1]=3 5466 B11R0.81 CCCCC=CC(=O)CCOC 1458a_100016266645_100000233755 [0,2,0,0,0,0|0,0,1]=3 5467 B11R0.81 CCCCC=CC(=O)CCSC 1458a_100016266645_100000751147 [0,2,0,0,0,0|0,1,1]=4 5468 B11R0.81 CCCCC=CC(=O)NCCC 11a_100020643023_100016266645 [0,2,0,0,0,0|1,0,1]=4 5469 B11R0.81 CCCCC=CC(=O)NCCC 1626a_100020643023_100016266645 [0,2,0,0,0,0|1,0,1]=4 5470 B11R0.81 CCCCC=CC(=O)NCCC 240690a_100020643023_100016266645 [0,2,0,0,0,0|1,0,1]=4 5471 B11R0.81 CCCCC=CC(=O)NCCF 11a_100000724931_100016266645 [0,2,0,0,0,0|1,0,1]=4 5472 B11R0.81 CCCCC=CC(=O)NCCF 1626a_100000724931_100016266645 [0,2,0,0,0,0|1,0,1]=4 5473 B11R0.81 CCCCC=CC(=O)NCCF 240690a_100000724931_100016266645 [0,2,0,0,0,0|1,0,1]=4 5474 B11R0.81 CCCCC=CC(=O)NCCO 240690a_100000210304_100016266645 [0,2,0,0,0,0|0,0,1]=3 5475 B11R0.81 CCCCCCC(=O)C#CCO 1458a_100000049017_100000210757 [0,2,0,0,0,0|0,0,2]=4 5476 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100011934036_100000210757 [0,2,0,0,0,0|1,0,1]=4 5477 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100102632555_100011215226 [0,2,0,0,0,0|1,0,1]=4 5478 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [0,2,0,0,0,0|1,0,1]=4 5479 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [0,2,0,0,0,0|1,0,1]=4 5480 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [0,2,0,0,0,0|1,0,1]=4 5481 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [0,2,0,0,0,0|0,0,1]=3 5482 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [0,2,0,0,0,0|0,0,1]=3 5483 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [0,2,0,0,0,0|0,0,1]=3 5484 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [0,2,0,0,0,0|0,1,1]=4 5485 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [0,2,0,0,0,0|0,1,1]=4 5486 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [0,2,0,0,0,0|1,0,1]=4 5487 B11R0.81 CCCCCCC(=O)CSCC 1458a_100000230394_100000210757 [0,2,0,0,0,0|1,0,1]=4 5488 B11R0.81 CCCCCCC(=O)NCCC 11a_100020643023_100102632555 [0,2,0,0,0,0|1,0,1]=4 5489 B11R0.81 CCCCCCC(=O)NCCC 1626a_100020643023_100102632555 [0,2,0,0,0,0|1,0,1]=4 5490 B11R0.81 CCCCCCC(=O)NCCC 240690a_100020643023_100102632555 [0,2,0,0,0,0|1,0,1]=4 5491 B11R0.81 CCCCCCC(=O)NCCC 527a_100020643023_100102632555 [0,2,0,0,0,0|1,0,1]=4 5492 B11R0.81 CCCCCCC(=O)NCCF 11a_100000724931_100102632555 [0,2,0,0,0,0|1,0,1]=4 5493 B11R0.81 CCCCCCC(=O)NCCF 1626a_100000724931_100102632555 [0,2,0,0,0,0|1,0,1]=4 5494 B11R0.81 CCCCCCC(=O)NCCF 240690a_100000724931_100102632555 [0,2,0,0,0,0|1,0,1]=4 5495 B11R0.81 CCCCCCC(=O)NCCF 527a_100000724931_100102632555 [0,2,0,0,0,0|1,0,1]=4 5496 B11R0.81 CCCCCCC(=O)NCCO 240690a_100000210304_100102632555 [0,2,0,0,0,0|0,0,1]=3 5497 B11R0.81 CCCCCCC(=O)NCCO 527a_100000210304_100102632555 [0,2,0,0,0,0|0,0,1]=3 5498 B11R0.81 CCCCCCC(C)CCOC 34a_200011024964_200000210301 [0,2,0,0,0,0|0,0,2]=4 5499 B11R0.81 CCCCCCC(C)CCOC 7a_200011024964_200000210301 [0,2,0,0,0,0|0,0,2]=4 5500 B11R0.81 CCCCCCC(C)CCO[13CH3] 34a_200011024964_200025704644 [0,2,0,0,0,0|0,0,2]=4 5501 B11R0.81 CCCCCCC(C)CCO[13CH3] 7a_200011024964_200025704644 [0,2,0,0,0,0|0,0,2]=4 5502 B11R0.81 CCCCCCC(C)NCCO 2230a_100000210919_100000211926 [0,2,0,0,0,0|0,0,2]=4 5503 B11R0.81 CCCCCCC(C)NCCO 2230a_100016997473_100011215978 [0,2,0,0,0,0|0,0,2]=4 5504 B11R0.81 CCCCCCC(C)NCCO 270004a_100000210304_100000210826 [0,2,0,0,0,0|0,0,2]=4 5505 B11R0.81 CCCCCCC(C)NCCO 34a_100000210919_100000211926 [0,2,0,0,0,0|0,0,2]=4 5506 B11R0.81 CCCCCCC(C)NCCO 34a_100016990907_100011215978 [0,2,0,0,0,0|0,0,2]=4 5507 B11R0.81 CCCCCCC(C)OCCO 34a_100000210265_100000211926 [0,2,0,0,0,0|0,0,2]=4 5508 B11R0.81 CCCCCCC(C)OCCO 7a_100000210265_100000211926 [0,2,0,0,0,0|0,0,2]=4 5509 B11R0.81 CCCCCCC(C)SCCO 62a_100000211926_100011215978 [0,2,0,0,0,0|0,0,2]=4 5510 B11R0.81 CCCCCCC(C)SCCO 62a_100011215978_100000211926 [0,2,0,0,0,0|0,0,2]=4 5511 B11R0.81 CCCCCCN(C)CCCO 2230a_100000213112_100000210314 [0,2,0,0,0,0|0,0,2]=4 5512 B11R0.81 CCCCCCN(C)CCCO 2230a_106256046315_100000230001 [0,2,0,0,0,0|0,0,2]=4 5513 B11R0.81 CCCCCCN(C)CCCO 269982a_100000213112_100000210757 [0,2,0,0,0,0|0,0,2]=4 5514 B11R0.81 CCCCCCN(C)CCCO 269982a_106256046315_100011215043 [0,2,0,0,0,0|0,0,2]=4 5515 B11R0.81 CCCCCCN(C)CCOC 2230a_100000743101_100000210314 [0,2,0,0,0,0|1,0,1]=4 5516 B11R0.81 CCCCCCN(C)CCOC 2230a_106256046315_100011201679 [0,2,0,0,0,0|1,0,1]=4 5517 B11R0.81 CCCCCCN(C)CCOC 269982a_100000743101_100000210757 [0,2,0,0,0,0|1,0,1]=4 5518 B11R0.81 CCCCCCN(C)CCOC 269982a_106256046315_100000233755 [0,2,0,0,0,0|1,0,1]=4 5519 B11R0.81 CCCCCNC(=O)CCC#N 11a_100000209983_100011934036 [0,2,0,0,0,0|2,0,0]=4 5520 B11R0.81 CCCCCNC(=O)CCC#N 1626a_100000209983_100011934036 [0,2,0,0,0,0|2,0,0]=4 5521 B11R0.81 CCCCCNC(=O)CCC#N 240690a_100000209983_100011934036 [0,2,0,0,0,0|2,0,0]=4 5522 B11R0.81 CCCCCNC(=O)CCC#N 527a_100000209983_100011934036 [0,2,0,0,0,0|2,0,0]=4 5523 B11R0.81 CCCCCNC(=O)CCCC 11a_100000209983_100000210183 [0,2,0,0,0,0|1,0,1]=4 5524 B11R0.81 CCCCCNC(=O)CCCC 1626a_100000209983_100000210183 [0,2,0,0,0,0|1,0,1]=4 5525 B11R0.81 CCCCCNC(=O)CCCC 240690a_100000209983_100000210183 [0,2,0,0,0,0|1,0,1]=4 5526 B11R0.81 CCCCCNC(=O)CCCC 527a_100000209983_100000210183 [0,2,0,0,0,0|1,0,1]=4 5527 B11R0.81 CCCCCNC(=O)CCOC 11a_100000209983_100000749529 [0,2,0,0,0,0|1,0,0]=3 5528 B11R0.81 CCCCCNC(=O)CCOC 1626a_100000209983_100000749529 [0,2,0,0,0,0|1,0,0]=3 5529 B11R0.81 CCCCCNC(=O)CCOC 240690a_100000209983_100000749529 [0,2,0,0,0,0|1,0,0]=3 5530 B11R0.81 CCCCCNC(=O)CCOC 527a_100000209983_100000749529 [0,2,0,0,0,0|1,0,0]=3 5531 B11R0.81 CCCCCNC(=O)CCSC 11a_100000209983_100000174002 [0,2,0,0,0,0|1,1,0]=4 5532 B11R0.81 CCCCCNC(=O)CCSC 1626a_100000209983_100000174002 [0,2,0,0,0,0|1,1,0]=4 5533 B11R0.81 CCCCCNC(=O)CCSC 240690a_100000209983_100000174002 [0,2,0,0,0,0|1,1,0]=4 5534 B11R0.81 CCCCCNC(=O)CCSC 527a_100000209983_100000174002 [0,2,0,0,0,0|1,1,0]=4 5535 B11R0.81 CCCCCNC(=O)CNCC 2230a_100015525214_100000230301 [0,2,0,0,0,0|2,0,0]=4 5536 B11R0.81 CCCCCNC(=O)COCC 11a_100000209983_100000211967 [0,2,0,0,0,0|2,0,0]=4 5537 B11R0.81 CCCCCNC(=O)COCC 1626a_100000209983_100000211967 [0,2,0,0,0,0|2,0,0]=4 5538 B11R0.81 CCCCCNC(=O)COCC 240690a_100000209983_100000211967 [0,2,0,0,0,0|2,0,0]=4 5539 B11R0.81 CCCCCNC(=O)COCC 34a_100121572206_100000230301 [0,2,0,0,0,0|2,0,0]=4 5540 B11R0.81 CCCCCNC(=O)COCC 527a_100000209983_100000211967 [0,2,0,0,0,0|2,0,0]=4 5541 B11R0.81 CCCCCNC(=O)CSCC 11a_100000209983_100000230394 [0,2,0,0,0,0|2,0,0]=4 5542 B11R0.81 CCCCCNC(=O)CSCC 1626a_100000209983_100000230394 [0,2,0,0,0,0|2,0,0]=4 5543 B11R0.81 CCCCCNC(=O)CSCC 240690a_100000209983_100000230394 [0,2,0,0,0,0|2,0,0]=4 5544 B11R0.81 CCCCCNC(=O)CSCC 527a_100000209983_100000230394 [0,2,0,0,0,0|2,0,0]=4 5545 B11R0.81 CCCCCNC(=O)CSCC 62a_100000210202_100000230301 [0,2,0,0,0,0|2,0,0]=4 5546 B11R0.81 CCCCCNC(=O)CSCC 62a_100000230301_100000210202 [0,2,0,0,0,0|2,0,0]=4 5547 B11R0.81 CCCCCNC(=O)CSCF 62a_100000230301_100015361967 [0,2,0,0,0,0|2,0,0]=4 5548 B11R0.81 CCCCCNC(=O)CSCF 62a_100015361967_100000230301 [0,2,0,0,0,0|2,0,0]=4 5549 B11R0.81 CCCCCNC(=O)NCCC 2708a_100000209983_100020643023 [0,2,0,0,0,0|2,0,0]=4 5550 B11R0.81 CCCCCNC(=O)NCCC 2708a_100020643023_100000209983 [0,2,0,0,0,0|2,0,0]=4 5551 B11R0.81 CCCCCNC(=O)NCCC 273464a_100000209983_100020643023 [0,2,0,0,0,0|2,0,0]=4 5552 B11R0.81 CCCCCNC(=O)NCCC 273464a_100020643023_100000209983 [0,2,0,0,0,0|2,0,0]=4 5553 B11R0.81 CCCCCNC(=O)NCCC 512a_100000209983_100020643023 [0,2,0,0,0,0|2,0,0]=4 5554 B11R0.81 CCCCCNC(=O)NCCC 512a_100020643023_100000209983 [0,2,0,0,0,0|2,0,0]=4 5555 B11R0.81 CCCCCNC(=O)NCCF 2708a_100000209983_100000724931 [0,2,0,0,0,0|2,0,0]=4 5556 B11R0.81 CCCCCNC(=O)NCCF 273464a_100000209983_100000724931 [0,2,0,0,0,0|2,0,0]=4 5557 B11R0.81 CCCCCNC(=O)NCCF 273464a_100000724931_100000209983 [0,2,0,0,0,0|2,0,0]=4 5558 B11R0.81 CCCCCNC(=O)NCCF 512a_100000209983_100000724931 [0,2,0,0,0,0|2,0,0]=4 5559 B11R0.81 CCCCCNC(=O)NCCO 2708a_100000209983_100000210304 [0,2,0,0,0,0|1,0,0]=3 5560 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000209983_100000210304 [0,2,0,0,0,0|1,0,0]=3 5561 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000210304_100000209983 [0,2,0,0,0,0|1,0,0]=3 5562 B11R0.81 CCCCCNC(=O)NCCO 512a_100000209983_100000210304 [0,2,0,0,0,0|1,0,0]=3 5563 B11R0.81 CCCCCNC(C)CCOC 270004a_100000209983_100000742357 [0,2,0,0,0,0|1,0,1]=4 5564 B11R0.81 CCCCN(C)CCCCCO 2230a_100000207549_100000746330 [0,2,0,0,0,0|0,0,2]=4 5565 B11R0.81 CCCCN(C)CCCCCO 2230a_100000722520_100000210211 [0,2,0,0,0,0|0,0,2]=4 5566 B11R0.81 CCCCN(C)CCCCCO 269982a_100000207549_100000746330 [0,2,0,0,0,0|0,0,2]=4 5567 B11R0.81 CCCCN(C)CCCCCO 269982a_100000722520_100000210211 [0,2,0,0,0,0|0,0,2]=4 5568 B11R0.81 CCCCN(C)CCOCCO 2230a_100000207549_100011215305 [0,2,0,0,0,0|1,0,1]=4 5569 B11R0.81 CCCCN(C)CCOCCO 2230a_100000228057_100000210211 [0,2,0,0,0,0|1,0,1]=4 5570 B11R0.81 CCCCN(C)CCOCCO 269982a_100000207549_100011215305 [0,2,0,0,0,0|1,0,1]=4 5571 B11R0.81 CCCCN(C)CCOCCO 269982a_100000228057_100000210211 [0,2,0,0,0,0|1,0,1]=4 5572 B11R0.81 CCCCNCC(=O)NCCC 2230a_100000102301_100000183358 [0,2,0,0,0,0|2,0,0]=4 5573 B11R0.81 CCCCNCC(=O)NCCC 2230a_100000174927_100000210211 [0,2,0,0,0,0|2,0,0]=4 5574 B11R0.81 CCCCNCC(=O)NCCC 7a_106832991798_100000183358 [0,2,0,0,0,0|2,0,0]=4 5575 B11R0.81 CCCCNCC(=O)NCCF 2230a_100000725713_100000210211 [0,2,0,0,0,0|2,0,0]=4 5576 B11R0.81 CCCCNCC(=O)OCCC 2230a_100000102301_200011215008 [0,2,0,0,0,0|2,0,0]=4 5577 B11R0.81 CCCCNCC(=O)OCCC 7a_106832991798_200011215008 [0,2,0,0,0,0|2,0,0]=4 5578 B11R0.81 CCCCNC[C@H](C)CCCO 2230a_100160569302_100000210211 [0,2,0,0,0,0|0,0,2]=4 5579 B11R0.81 CCCCNC[C@H](C)CCCO 34a_100160569302_100000210210 [0,2,0,0,0,0|0,0,2]=4 5580 B11R0.81 CCCCNN=C(C)CCCO 4a_100025702795_100000759063 [0,2,0,0,0,0|1,0,1]=4 5581 B11R0.81 CCCCNN=C(C)CCOC 4a_100025702795_100000742357 [0,2,0,0,0,0|2,0,0]=4 5582 B11R0.81 CCCCNNC(=O)CCOC 22a_100025702795_100000749529 [0,2,0,0,0,0|2,0,0]=4 5583 B11R0.81 CCCCNNC(=O)NCCO 273464a_100000210304_100025702795 [0,2,0,0,0,0|2,0,0]=4 5584 B11R0.81 CCCCNNC(=O)NCCO 512a_100025702795_100000210304 [0,2,0,0,0,0|2,0,0]=4 5585 B11R0.81 CCCCOCC(=O)C#CCO 1458a_100000049017_100011995733 [0,2,0,0,0,0|0,0,2]=4 5586 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000210183_100011995733 [0,2,0,0,0,0|1,0,1]=4 5587 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000757543_100000210211 [0,2,0,0,0,0|1,0,1]=4 5588 B11R0.81 CCCCOCC(=O)CCCF 1458a_100000757543_100011934791 [0,2,0,0,0,0|1,0,1]=4 5589 B11R0.81 CCCCOCC(=O)CCCO 1458a_100000757543_100011215043 [0,2,0,0,0,0|0,0,1]=3 5590 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000749529_100011995733 [0,2,0,0,0,0|1,0,1]=4 5591 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000757543_100000233755 [0,2,0,0,0,0|1,0,1]=4 5592 B11R0.81 CCCCOCC(=O)NCCC 11a_100020643023_100000757543 [0,2,0,0,0,0|2,0,0]=4 5593 B11R0.81 CCCCOCC(=O)NCCC 1626a_100020643023_100000757543 [0,2,0,0,0,0|2,0,0]=4 5594 B11R0.81 CCCCOCC(=O)NCCC 240690a_100020643023_100000757543 [0,2,0,0,0,0|2,0,0]=4 5595 B11R0.81 CCCCOCC(=O)NCCC 34a_100000210227_100000183358 [0,2,0,0,0,0|2,0,0]=4 5596 B11R0.81 CCCCOCC(=O)NCCC 527a_100020643023_100000757543 [0,2,0,0,0,0|2,0,0]=4 5597 B11R0.81 CCCCOCC(=O)NCCC 7a_100000210227_100000183358 [0,2,0,0,0,0|2,0,0]=4 5598 B11R0.81 CCCCOCC(=O)NCCF 11a_100000724931_100000757543 [0,2,0,0,0,0|2,0,0]=4 5599 B11R0.81 CCCCOCC(=O)NCCF 1626a_100000724931_100000757543 [0,2,0,0,0,0|2,0,0]=4 5600 B11R0.81 CCCCOCC(=O)NCCF 240690a_100000724931_100000757543 [0,2,0,0,0,0|2,0,0]=4 5601 B11R0.81 CCCCOCC(=O)NCCF 527a_100000724931_100000757543 [0,2,0,0,0,0|2,0,0]=4 5602 B11R0.81 CCCCOCC(=O)NCCO 240690a_100000210304_100000757543 [0,2,0,0,0,0|1,0,0]=3 5603 B11R0.81 CCCCOCC(=O)NCCO 527a_100000210304_100000757543 [0,2,0,0,0,0|1,0,0]=3 5604 B11R0.81 CCCCOCC(=O)OCCC 34a_100000210227_200011215008 [0,2,0,0,0,0|2,0,0]=4 5605 B11R0.81 CCCCOCC(=O)OCCC 7a_100000210227_200011215008 [0,2,0,0,0,0|2,0,0]=4 5606 B11R0.81 CCCCOCC(C)OCCO 34a_100011217071_100000211926 [0,2,0,0,0,0|1,0,1]=4 5607 B11R0.81 CCCCOCC(C)OCCO 7a_100011217071_100000211926 [0,2,0,0,0,0|1,0,1]=4 5608 B11R0.81 CCCCOCN(C)CCCO 2230a_100000213112_100011995733 [0,2,0,0,0,0|1,0,1]=4 5609 B11R0.81 CCCCOCN(C)CCCO 269982a_100000213112_100011995733 [0,2,0,0,0,0|1,0,1]=4 5610 B11R0.81 CCCCSCC(=O)CCCC 1458a_100000191162_100000210211 [0,2,0,0,0,0|1,0,1]=4 5611 B11R0.81 CCCCSCC(=O)CCCF 1458a_100000191162_100011934791 [0,2,0,0,0,0|1,0,1]=4 5612 B11R0.81 CCCCSCC(=O)CCCO 1458a_100000191162_100011215043 [0,2,0,0,0,0|0,0,1]=3 5613 B11R0.81 CCCCSCC(=O)CCOC 1458a_100000191162_100000233755 [0,2,0,0,0,0|1,0,1]=4 5614 B11R0.81 CCCCSCC(=O)NCCC 11a_100020643023_100000191162 [0,2,0,0,0,0|2,0,0]=4 5615 B11R0.81 CCCCSCC(=O)NCCC 1626a_100020643023_100000191162 [0,2,0,0,0,0|2,0,0]=4 5616 B11R0.81 CCCCSCC(=O)NCCC 240690a_100020643023_100000191162 [0,2,0,0,0,0|2,0,0]=4 5617 B11R0.81 CCCCSCC(=O)NCCC 527a_100020643023_100000191162 [0,2,0,0,0,0|2,0,0]=4 5618 B11R0.81 CCCCSCC(=O)NCCC 62a_100000183358_100000210210 [0,2,0,0,0,0|2,0,0]=4 5619 B11R0.81 CCCCSCC(=O)NCCC 62a_100000210211_100000183358 [0,2,0,0,0,0|2,0,0]=4 5620 B11R0.81 CCCCSCC(=O)NCCF 11a_100000724931_100000191162 [0,2,0,0,0,0|2,0,0]=4 5621 B11R0.81 CCCCSCC(=O)NCCF 1626a_100000724931_100000191162 [0,2,0,0,0,0|2,0,0]=4 5622 B11R0.81 CCCCSCC(=O)NCCF 240690a_100000724931_100000191162 [0,2,0,0,0,0|2,0,0]=4 5623 B11R0.81 CCCCSCC(=O)NCCF 527a_100000724931_100000191162 [0,2,0,0,0,0|2,0,0]=4 5624 B11R0.81 CCCCSCC(=O)NCCO 240690a_100000210304_100000191162 [0,2,0,0,0,0|1,0,0]=3 5625 B11R0.81 CCCCSCC(=O)NCCO 527a_100000210304_100000191162 [0,2,0,0,0,0|1,0,0]=3 5626 B11R0.81 CCCCSCC(=O)OCCC 62a_100000210211_200011215008 [0,2,0,0,0,0|2,0,0]=4 5627 B11R0.81 CCCCSCC(=O)OCCC 62a_200011215008_100000210210 [0,2,0,0,0,0|2,0,0]=4 5628 B11R0.81 CCCC[C@H](N)COCCCO 34a_100011934283_100000230001 [0,2,0,0,0,0|0,0,2]=4 5629 B11R0.81 CCCC[C@H](N)COCCOC 34a_100011934283_100011201679 [0,2,0,0,0,0|1,0,1]=4 5630 B11R0.81 CCCNC(=O)CCCCCO 240690a_100020643023_100102619762 [0,2,0,0,0,0|2,0,0]=4 5631 B11R0.81 CCCNC(=O)CCCNCC 2230a_100015525214_100011194427 [0,2,0,0,0,0|2,0,0]=4 5632 B11R0.81 CCCNC(=O)CCCSCC 62a_100000210202_100011194427 [0,2,0,0,0,0|2,0,0]=4 5633 B11R0.81 CCCNC(=O)CCCSCC 62a_100011194427_100000210202 [0,2,0,0,0,0|2,0,0]=4 5634 B11R0.81 CCCOC(C)CNCCCO 2230a_100015185124_100000230001 [0,2,0,0,0,0|1,0,1]=4 5635 B11R0.81 CCCOC(C)CNCCCO 34a_100015185124_100000230001 [0,2,0,0,0,0|1,0,1]=4 5636 B11R0.81 CCCOCCC(=O)C#CCO 1458a_100000049017_100011215938 [0,2,0,0,0,0|0,0,2]=4 5637 B11R0.81 CCCOCCC(=O)CCOC 1458a_100000749529_100011215938 [0,2,0,0,0,0|1,0,1]=4 5638 B11R0.81 CCCOCCN(C)CCCO 2230a_100000213112_100011215938 [0,2,0,0,0,0|1,0,1]=4 5639 B11R0.81 CCCOCCN(C)CCCO 269982a_100000213112_100011215938 [0,2,0,0,0,0|1,0,1]=4 5640 B11R0.81 CCOCC(O)CNCCCO 2230a_102515437182_100000230001 [0,2,0,0,0,0|1,0,1]=4 5641 B11R0.81 CCOCC(O)CNCCCO 34a_102515437182_100000230001 [0,2,0,0,0,0|1,0,1]=4 5642 B11R0.81 CCOCCCC(=O)C#CCO 1458a_100000049017_100012232248 [0,2,0,0,0,0|0,0,2]=4 5643 B11R0.81 CCOCCCC(=O)CCOC 1458a_100000749529_100012232248 [0,2,0,0,0,0|1,0,1]=4 5644 B11R0.81 CCOCCCN(C)CCCO 2230a_100000213112_100012232248 [0,2,0,0,0,0|1,0,1]=4 5645 B11R0.81 CCOCCCN(C)CCCO 269982a_100000213112_100012232248 [0,2,0,0,0,0|1,0,1]=4 5646 B11R0.81 CCOCCNC(=O)CCOC 11a_100011200944_100000749529 [0,2,0,0,0,0|2,0,0]=4 5647 B11R0.81 CCOCCNC(=O)CCOC 1626a_102516460346_100000749529 [0,2,0,0,0,0|2,0,0]=4 5648 B11R0.81 CCOCCNC(=O)CCOC 240690a_100011200944_100000749529 [0,2,0,0,0,0|2,0,0]=4 5649 B11R0.81 CCOCCNC(=O)CCOC 527a_100011200944_100000749529 [0,2,0,0,0,0|2,0,0]=4 5650 B11R0.81 CCOCCNC(=O)NCCO 2708a_100011200944_100000210304 [0,2,0,0,0,0|2,0,0]=4 5651 B11R0.81 CCOCCNC(=O)NCCO 273464a_100000210304_102516460346 [0,2,0,0,0,0|2,0,0]=4 5652 B11R0.81 CCOCCNC(=O)NCCO 273464a_102516460346_100000210304 [0,2,0,0,0,0|2,0,0]=4 5653 B11R0.81 CCOCCNC(=O)NCCO 512a_100011200944_100000210304 [0,2,0,0,0,0|2,0,0]=4 5654 B11R0.81 CCSCCNC(=O)CCOC 11a_100000106463_100000749529 [0,2,0,0,0,0|2,0,0]=4 5655 B11R0.81 CCSCCNC(=O)CCOC 1626a_100000106463_100000749529 [0,2,0,0,0,0|2,0,0]=4 5656 B11R0.81 CCSCCNC(=O)CCOC 240690a_100000106463_100000749529 [0,2,0,0,0,0|2,0,0]=4 5657 B11R0.81 CCSCCNC(=O)CCOC 527a_100000106463_100000749529 [0,2,0,0,0,0|2,0,0]=4 5658 B11R0.81 CCSCCNC(=O)NCCO 2708a_100000106463_100000210304 [0,2,0,0,0,0|2,0,0]=4 5659 B11R0.81 CCSCCNC(=O)NCCO 273464a_100000106463_100000210304 [0,2,0,0,0,0|2,0,0]=4 5660 B11R0.81 CCSCCNC(=O)NCCO 273464a_100000210304_100000106463 [0,2,0,0,0,0|2,0,0]=4 5661 B11R0.81 CCSCCNC(=O)NCCO 512a_100000106463_100000210304 [0,2,0,0,0,0|2,0,0]=4 5662 B11R0.81 CN(CCCO)CCCCCF 2230a_100000213112_100000729378 [0,2,0,0,0,0|1,0,1]=4 5663 B11R0.81 CN(CCCO)CCCCCF 269982a_100000213112_100000729378 [0,2,0,0,0,0|1,0,1]=4 5664 B11R0.81 CN(CCCO)CCCCCO 2230a_100000213112_100000746330 [0,2,0,0,0,0|1,0,1]=4 5665 B11R0.81 CN(CCCO)CCCCCO 2230a_100000722520_100000230001 [0,2,0,0,0,0|1,0,1]=4 5666 B11R0.81 CN(CCCO)CCCCCO 269982a_100000213112_100000746330 [0,2,0,0,0,0|1,0,1]=4 5667 B11R0.81 CN(CCCO)CCCCCO 269982a_100000722520_100011215043 [0,2,0,0,0,0|1,0,1]=4 5668 B11R0.81 COCCC(=O)CCCCCF 1458a_100000749529_100000729378 [0,2,0,0,0,0|1,0,1]=4 5669 B11R0.81 COCCC(=O)CCCCCO 1458a_100000749529_100000746330 [0,2,0,0,0,0|1,0,1]=4 5670 B11R0.81 COCCC(=O)CCCCCO 1458a_100102619762_100000233755 [0,2,0,0,0,0|1,0,1]=4 5671 B11R0.81 COCCC(=O)NCCCCO 240690a_100000750430_100000749529 [0,2,0,0,0,0|2,0,0]=4 5672 B11R0.81 COCCC(=O)NCCCCO 527a_100000750430_100000749529 [0,2,0,0,0,0|2,0,0]=4 5673 B11R0.81 COCCC(=O)NCCCSC 11a_100000749238_100000749529 [0,2,0,0,0,0|2,0,0]=4 5674 B11R0.81 COCCC(=O)NCCCSC 1626a_100000749238_100000749529 [0,2,0,0,0,0|2,0,0]=4 5675 B11R0.81 COCCC(=O)NCCCSC 240690a_100000749238_100000749529 [0,2,0,0,0,0|2,0,0]=4 5676 B11R0.81 COCCC(=O)NCCCSC 527a_100000749238_100000749529 [0,2,0,0,0,0|2,0,0]=4 5677 B11R0.81 COCCCCC(=O)C#CCO 1458a_100000049017_100000755781 [0,2,0,0,0,0|0,0,2]=4 5678 B11R0.81 COCCCCC(=O)CCOC 1458a_100000749529_100000755781 [0,2,0,0,0,0|1,0,1]=4 5679 B11R0.81 COCCCCN(C)CCCO 2230a_100000213112_100000730899 [0,2,0,0,0,0|1,0,1]=4 5680 B11R0.81 COCCCCN(C)CCCO 269982a_100000213112_100000730899 [0,2,0,0,0,0|1,0,1]=4 5681 B11R0.81 COCCCNC(=O)CCOC 1626a_100150723488_100000749529 [0,2,0,0,0,0|2,0,0]=4 5682 B11R0.81 COCCCNC(=O)CCOC 240690a_100150723488_100000749529 [0,2,0,0,0,0|2,0,0]=4 5683 B11R0.81 COCCCNC(=O)CCOC 527a_100150723488_100000749529 [0,2,0,0,0,0|2,0,0]=4 5684 B11R0.81 COCCCNC(=O)NCCO 2708a_100150723488_100000210304 [0,2,0,0,0,0|2,0,0]=4 5685 B11R0.81 COCCCNC(=O)NCCO 273464a_100000210304_100150723488 [0,2,0,0,0,0|2,0,0]=4 5686 B11R0.81 COCCCNC(=O)NCCO 273464a_100150723488_100000210304 [0,2,0,0,0,0|2,0,0]=4 5687 B11R0.81 COCCOCC(=O)CCCO 1458a_100000211095_100011215043 [0,2,0,0,0,0|1,0,1]=4 5688 B11R0.81 COCCOCC(=O)NCCO 240690a_100000210304_100000211095 [0,2,0,0,0,0|2,0,0]=4 5689 B11R0.81 COCCOCC(=O)NCCO 527a_100000210304_100000211095 [0,2,0,0,0,0|2,0,0]=4 5690 B11R0.81 CSCCCNC(=O)NCCO 2708a_100000749238_100000210304 [0,2,0,0,0,0|2,0,0]=4 5691 B11R0.81 CSCCCNC(=O)NCCO 273464a_100000210304_100000749238 [0,2,0,0,0,0|2,0,0]=4 5692 B11R0.81 CSCCCNC(=O)NCCO 273464a_100000749238_100000210304 [0,2,0,0,0,0|2,0,0]=4 5693 B11R0.81 CSCCCNC(=O)NCCO 512a_100000749238_100000210304 [0,2,0,0,0,0|2,0,0]=4 5694 B11R0.81 CSCC[C@H](N)COCCCO 34a_100011827619_100000230001 [0,2,0,0,0,0|1,0,1]=4 5695 B11R0.81 C[C@H](CCCO)CNCCCO 2230a_100160569302_100000230001 [0,2,0,0,0,0|1,0,1]=4 5696 B11R0.81 C[C@H](CCCO)CNCCCO 34a_100160569302_100000230001 [0,2,0,0,0,0|1,0,1]=4 5697 B11R0.81 O=C(C#CCO)CCCCCF 1458a_100000049017_100000729378 [0,2,0,0,0,0|0,0,2]=4 5698 B11R0.81 O=C(C#CCO)CCCCCO 1458a_100000049017_100000746330 [0,2,0,0,0,0|0,0,2]=4 5699 B11R0.81 O=C(CCCCCO)NCCF 240690a_100000724931_100102619762 [0,2,0,0,0,0|2,0,0]=4 5700 B11R0.81 O=C(CCCCCO)NCCO 240690a_100000210304_100102619762 [0,2,0,0,0,0|1,0,0]=3 5701 B11R0.81 O=C(CCCF)CCCCCO 1458a_100102619762_100011934791 [0,2,0,0,0,0|1,0,1]=4 5702 B11R0.81 O=C(CCCO)CCCCCO 1458a_100102619762_100011215043 [0,2,0,0,0,0|0,0,1]=3 5703 B11R0.81 O=C(CCCO)CCOCCO 1458a_100011229844_100011215043 [0,2,0,0,0,0|1,0,1]=4 5704 B11R0.81 O=C(CCOCCO)NCCO 240690a_100000210304_100011229844 [0,2,0,0,0,0|2,0,0]=4 5705 B11R0.81 O=C(NCCO)NCCCCO 2708a_100000750430_100000210304 [0,2,0,0,0,0|2,0,0]=4 5706 B11R0.81 O=C(NCCO)NCCCCO 273464a_100000210304_100000750430 [0,2,0,0,0,0|2,0,0]=4 5707 B11R0.81 O=C(NCCO)NCCCCO 273464a_100000750430_100000210304 [0,2,0,0,0,0|2,0,0]=4 5708 B11R0.81 O=C(NCCO)NCCCCO 512a_100000750430_100000210304 [0,2,0,0,0,0|2,0,0]=4 5709 B11R0.142 CCC/C=C/CC(=O)C(C)CC 1458a_200016266809_100000758301 [0,2,0,0,0,0|1,0,1]=4 5710 B11R0.142 CCCCC=CC(=O)C(C)CC 1458a_100016266645_100000758301 [0,2,0,0,0,0|1,0,1]=4 5711 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100011192722_100000210757 [0,2,0,0,0,0|1,0,1]=4 5712 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100102632555_100000758301 [0,2,0,0,0,0|1,0,1]=4 5713 B11R0.142 CCCCCCC(=O)C(O)CC 1458a_100011196387_100000210757 [0,2,0,0,0,0|1,0,1]=4 5714 B11R0.142 CCCCCCC(=O)C(O)CO 1458a_100011215603_100000210757 [0,2,0,0,0,0|0,0,1]=3 5715 B11R0.142 CCCCCCN(C)C(C)CO 2230a_100000693034_100000210314 [0,2,0,0,0,0|1,0,1]=4 5716 B11R0.142 CCCCCCN(C)C(C)CO 2230a_106256046315_100012180447 [0,2,0,0,0,0|1,0,1]=4 5717 B11R0.142 CCCCCCN(C)C(C)CO 269982a_100000693034_100000210757 [0,2,0,0,0,0|1,0,1]=4 5718 B11R0.142 CCCCCCN(C)[C@H](C)CO 269982a_106256046315_100016084084 [0,2,0,0,0,0|1,0,1]=4 5719 B11R0.142 CCCCCNC(=O)C(C)CC 11a_100000209983_100011192722 [0,2,0,0,0,0|2,0,0]=4 5720 B11R0.142 CCCCCNC(=O)C(C)CC 1626a_100000209983_100011192722 [0,2,0,0,0,0|2,0,0]=4 5721 B11R0.142 CCCCCNC(=O)C(C)CC 240690a_100000209983_100011192722 [0,2,0,0,0,0|2,0,0]=4 5722 B11R0.142 CCCCCNC(=O)C(C)CC 527a_100000209983_100011192722 [0,2,0,0,0,0|2,0,0]=4 5723 B11R0.142 CCCCCNC(=O)C(O)CC 240690a_100000209983_100011196387 [0,2,0,0,0,0|2,0,0]=4 5724 B11R0.142 CCCCCNC(=O)C(O)CO 240690a_100000209983_100011215603 [0,2,0,0,0,0|1,0,0]=3 5725 B11R0.142 CCCCNN=C(C)C(C)CO 4a_100025702795_100000032740 [0,2,0,0,0,0|2,0,0]=4 5726 B11R0.142 CCCCNNC(=O)C(O)CO 22a_100025702795_100011215603 [0,2,0,0,0,0|2,0,0]=4 5727 B11R0.142 CCCCOCC(=O)C(O)CO 1458a_100011215603_100011995733 [0,2,0,0,0,0|1,0,1]=4 5728 B11R0.142 CCCOCCC(=O)C(O)CO 1458a_100011215603_100011215938 [0,2,0,0,0,0|1,0,1]=4 5729 B11R0.142 CCOCCCC(=O)C(O)CO 1458a_100011215603_100012232248 [0,2,0,0,0,0|1,0,1]=4 5730 B11R0.142 CCOCCNC(=O)C(O)CO 240690a_100011200944_100011215603 [0,2,0,0,0,0|2,0,0]=4 5731 B11R0.142 CCSCCNC(=O)C(O)CO 240690a_100000106463_100011215603 [0,2,0,0,0,0|2,0,0]=4 5732 B11R0.142 COCCCCC(=O)C(O)CO 1458a_100011215603_100000755781 [0,2,0,0,0,0|1,0,1]=4 5733 B11R0.142 COCCCNC(=O)C(O)CO 240690a_100150723488_100011215603 [0,2,0,0,0,0|2,0,0]=4 5734 B11R0.142 CSCCCNC(=O)C(O)CO 240690a_100000749238_100011215603 [0,2,0,0,0,0|2,0,0]=4 5735 B11R0.142 O=C(CCCCCF)C(O)CO 1458a_100011215603_100000729378 [0,2,0,0,0,0|1,0,1]=4 5736 B11R0.142 O=C(CCCCCO)C(O)CO 1458a_100011215603_100000746330 [0,2,0,0,0,0|1,0,1]=4 5737 B11R0.142 O=C(NCCCCO)C(O)CO 240690a_100000750430_100011215603 [0,2,0,0,0,0|2,0,0]=4 5738 B11R0.155 CC(CCO)C(=O)CCCCO 1458a_100000695505_100009893172 [0,2,0,0,0,0|1,0,1]=4 5739 B11R0.155 CC/C=C(\C)/C(=O)CCCCC 1458a_100016988807_100000210326 [0,2,0,0,0,0|1,0,1]=4 5740 B11R0.155 CCCC(C)C(C)NCCCO 270004a_100000182051_100011216282 [0,2,0,0,0,0|1,0,1]=4 5741 B11R0.155 CCCC(C)C(C)OCCCO 34a_100000708338_100000230001 [0,2,0,0,0,0|1,0,1]=4 5742 B11R0.155 CCCC(C)C(C)OCCCO 7a_100000708338_100011215043 [0,2,0,0,0,0|1,0,1]=4 5743 B11R0.155 CCCC=CC(=O)C(C)CCC 1458a_100000212230_100000766640 [0,2,0,0,0,0|1,0,1]=4 5744 B11R0.155 CCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210326 [0,2,0,0,0,0|2,0,0]=4 5745 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000210906_100000210326 [0,2,0,0,0,0|1,0,1]=4 5746 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000212188_100000766640 [0,2,0,0,0,0|1,0,1]=4 5747 B11R0.155 CCCCCC(=O)C(C)CCO 1458a_100000212188_100009893172 [0,2,0,0,0,0|0,0,1]=3 5748 B11R0.155 CCCCCC(=O)N(C)CCC 11a_100000747261_100000212188 [0,2,0,0,0,0|2,0,0]=4 5749 B11R0.155 CCCCCC(=O)N(C)CCC 1626a_100000747261_100000212188 [0,2,0,0,0,0|2,0,0]=4 5750 B11R0.155 CCCCCC(=O)N(C)CCC 240690a_100000747261_100000212188 [0,2,0,0,0,0|2,0,0]=4 5751 B11R0.155 CCCCCC(=O)N(C)CCC 527a_100000747261_100000212188 [0,2,0,0,0,0|2,0,0]=4 5752 B11R0.155 CCCCCC(=O)N(C)CCO 240690a_100000210263_100000212188 [0,2,0,0,0,0|1,0,0]=3 5753 B11R0.155 CCCCCC(=O)N(C)CCO 527a_100000210263_100000212188 [0,2,0,0,0,0|1,0,0]=3 5754 B11R0.155 CCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210326 [0,2,0,0,0,0|1,0,1]=4 5755 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100000211992_200011218191 [0,2,0,0,0,0|1,0,1]=4 5756 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100011215998_100000210303 [0,2,0,0,0,0|1,0,1]=4 5757 B11R0.155 CCCCCC(C)C(=O)CCF 1458a_100011215998_100011217306 [0,2,0,0,0,0|1,0,1]=4 5758 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011215998_100000211926 [0,2,0,0,0,0|0,0,1]=3 5759 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011216618_200011218191 [0,2,0,0,0,0|0,0,1]=3 5760 B11R0.155 CCCCCC(C)N(C)CCO 2230a_100000210263_200011218191 [0,2,0,0,0,0|1,0,1]=4 5761 B11R0.155 CCCCCC(C)N(C)CCO 269982a_100000210263_200011218191 [0,2,0,0,0,0|1,0,1]=4 5762 B11R0.155 CCCCCC(C)N(C)CCO 270004a_100000210263_100000211708 [0,2,0,0,0,0|1,0,1]=4 5763 B11R0.155 CCCCCN(C)C(=O)CCC 11a_100000223495_100000211992 [0,2,0,0,0,0|2,0,0]=4 5764 B11R0.155 CCCCCN(C)C(=O)CCC 1626a_100000223495_100000211992 [0,2,0,0,0,0|2,0,0]=4 5765 B11R0.155 CCCCCN(C)C(=O)CCC 240690a_100000223495_100000211992 [0,2,0,0,0,0|2,0,0]=4 5766 B11R0.155 CCCCCN(C)C(=O)CCC 527a_100000223495_100000211992 [0,2,0,0,0,0|2,0,0]=4 5767 B11R0.155 CCCCCN(C)C(=O)CCO 240690a_100000223495_100011216618 [0,2,0,0,0,0|1,0,0]=3 5768 B11R0.155 CCCCCN(C)C(C)CCO 2230a_100000223495_100009893172 [0,2,0,0,0,0|1,0,1]=4 5769 B11R0.155 CCCCCN(C)C(C)CCO 2230a_100000731037_100000210326 [0,2,0,0,0,0|1,0,1]=4 5770 B11R0.155 CCCCCN(C)C(C)CCO 269982a_100000223495_100009893172 [0,2,0,0,0,0|1,0,1]=4 5771 B11R0.155 CCCCCN(C)C(C)CCO 269982a_100000731037_100000210215 [0,2,0,0,0,0|1,0,1]=4 5772 B11R0.155 CCCCNC(=O)N(C)CCO 2708a_100000102301_100000210263 [0,2,0,0,0,0|2,0,0]=4 5773 B11R0.155 CCCCNC(=O)N(C)CCO 273464a_100000102301_100000210263 [0,2,0,0,0,0|2,0,0]=4 5774 B11R0.155 CCCCSC(C)C(=O)CCO 1458a_100000191163_100000211926 [0,2,0,0,0,0|1,0,1]=4 5775 B11R0.155 CCCOCC(=O)C(C)CCO 1458a_100000745993_100009893172 [0,2,0,0,0,0|1,0,1]=4 5776 B11R0.155 CCCOCC(=O)N(C)CCO 240690a_100000210263_100000745993 [0,2,0,0,0,0|2,0,0]=4 5777 B11R0.155 CCCOCC(=O)N(C)CCO 527a_100000210263_100000745993 [0,2,0,0,0,0|2,0,0]=4 5778 B11R0.155 CCCSCC(=O)C(C)CCO 1458a_100000217233_100009893172 [0,2,0,0,0,0|1,0,1]=4 5779 B11R0.155 CCCSCC(=O)N(C)CCO 240690a_100000210263_100000217233 [0,2,0,0,0,0|2,0,0]=4 5780 B11R0.155 CCCSCC(=O)N(C)CCO 527a_100000210263_100000217233 [0,2,0,0,0,0|2,0,0]=4 5781 B11R0.155 CCOCCC(=O)C(C)CCO 1458a_100000749530_100009893172 [0,2,0,0,0,0|1,0,1]=4 5782 B11R0.155 CCOCCC(=O)N(C)CCO 240690a_100000210263_100000749530 [0,2,0,0,0,0|2,0,0]=4 5783 B11R0.155 CCOCCC(=O)N(C)CCO 527a_100000210263_100000749530 [0,2,0,0,0,0|2,0,0]=4 5784 B11R0.155 CCSCCC(=O)C(C)CCO 1458a_100000230768_100009893172 [0,2,0,0,0,0|1,0,1]=4 5785 B11R0.155 CCSCCC(=O)N(C)CCO 240690a_100000210263_100000230768 [0,2,0,0,0,0|2,0,0]=4 5786 B11R0.155 CCSCCC(=O)N(C)CCO 527a_100000210263_100000230768 [0,2,0,0,0,0|2,0,0]=4 5787 B11R0.155 CN(CCCCO)C(=O)CCO 240690a_100000717598_100011216618 [0,2,0,0,0,0|2,0,0]=4 5788 B11R0.155 COCCCC(=O)C(C)CCO 1458a_100000741012_100009893172 [0,2,0,0,0,0|1,0,1]=4 5789 B11R0.155 COCCCC(=O)N(C)CCO 240690a_100000210263_100000741012 [0,2,0,0,0,0|2,0,0]=4 5790 B11R0.155 COCCCC(=O)N(C)CCO 527a_100000210263_100000741012 [0,2,0,0,0,0|2,0,0]=4 5791 B11R0.155 COCCCN(C)C(=O)CCO 240690a_100000224831_100011216618 [0,2,0,0,0,0|2,0,0]=4 5792 B11R0.155 CSCCCC(=O)C(C)CCO 1458a_100000173376_100009893172 [0,2,0,0,0,0|1,0,1]=4 5793 B11R0.155 CSCCCC(=O)N(C)CCO 240690a_100000210263_100000173376 [0,2,0,0,0,0|2,0,0]=4 5794 B11R0.155 CSCCCC(=O)N(C)CCO 527a_100000210263_100000173376 [0,2,0,0,0,0|2,0,0]=4 5795 B11R0.161 CCCC(CCOCCO)SC 34a_100000032865_100000211926 [0,2,0,0,0,0|1,0,1]=4 5796 B11R0.161 CCCC(CCOCCO)SC 7a_100000032865_100000211926 [0,2,0,0,0,0|1,0,1]=4 5797 B11R0.161 CCCCCCN(CC)CCO 2230a_100000210973_100000210314 [0,2,0,0,0,0|1,0,1]=4 5798 B11R0.161 CCCCCCN(CC)CCO 269982a_100000210973_100000210757 [0,2,0,0,0,0|1,0,1]=4 5799 B11R0.174 CC(CO)CCNC(=O)CCO 240690a_106354213184_100011216618 [0,2,0,0,0,0|2,0,0]=4 5800 B11R0.174 CCC(C)CCNC(=O)CCO 240690a_100020591266_100011216618 [0,2,0,0,0,0|1,0,0]=3 5801 B11R0.174 CCC(C)CCNC(C)CCO 2230a_100020591266_100009893172 [0,2,0,0,0,0|1,0,1]=4 5802 B11R0.174 CCC(C)CCOC(C)CCO 7a_100011215188_100009893172 [0,2,0,0,0,0|1,0,1]=4 5803 B11R0.174 CCC(O)CNNC(=O)CCO 22a_100015206393_100011216618 [0,2,0,0,0,0|2,0,0]=4 5804 B11R0.174 CCCC(=O)NCCC(C)CC 11a_100020591266_100000211992 [0,2,0,0,0,0|2,0,0]=4 5805 B11R0.174 CCCC(=O)NCCC(C)CC 1626a_100020591266_100000211992 [0,2,0,0,0,0|2,0,0]=4 5806 B11R0.174 CCCC(=O)NCCC(C)CC 240690a_100020591266_100000211992 [0,2,0,0,0,0|2,0,0]=4 5807 B11R0.174 CCCC(=O)NCCC(C)CC 527a_100020591266_100000211992 [0,2,0,0,0,0|2,0,0]=4 5808 B11R0.174 CCCC(C)CCOC(C)CO 34a_100011217855_100012180447 [0,2,0,0,0,0|1,0,1]=4 5809 B11R0.174 CCCC(C)CCOC(C)CO 7a_100011217855_100012180447 [0,2,0,0,0,0|1,0,1]=4 5810 B11R0.174 CCCC(C)CNCC(C)CO 34a_100000744482_100011216630 [0,2,0,0,0,0|1,0,1]=4 5811 B11R0.174 CCCC(C)CNC[C@@H](F)CO 270004a_100015665980_100000243154 [0,2,0,0,0,0|1,0,1]=4 5812 B11R0.174 CCCC(C)CNC[C@@H](F)CO 34a_100015665980_100011216630 [0,2,0,0,0,0|1,0,1]=4 5813 B11R0.174 CCCC(C)CNC[C@H](O)CO 2230a_100020644852_100011216630 [0,2,0,0,0,0|1,0,1]=4 5814 B11R0.174 CCCC(C)COCC(O)CO 34a_100000688023_100011219619 [0,2,0,0,0,0|1,0,1]=4 5815 B11R0.174 CCCC(C)COCC(O)CO 7a_100000688023_100011219619 [0,2,0,0,0,0|1,0,1]=4 5816 B11R0.174 CCCC(C)COC[C@@H](C)CO 34a_100000688023_100000059175 [0,2,0,0,0,0|1,0,1]=4 5817 B11R0.174 CCCC(C)COC[C@@H](C)CO 7a_100000688023_100000059175 [0,2,0,0,0,0|1,0,1]=4 5818 B11R0.174 CCCC(C)COC[C@@H](O)CO 34a_100000688023_100009815848 [0,2,0,0,0,0|1,0,1]=4 5819 B11R0.174 CCCC(C)COC[C@@H](O)CO 7a_100000688023_100009815848 [0,2,0,0,0,0|1,0,1]=4 5820 B11R0.174 CCCC(C)CSCC(O)CO 62a_100011216630_100011219619 [0,2,0,0,0,0|1,0,1]=4 5821 B11R0.174 CCCC(C)CSCC(O)CO 62a_100011219619_100011216630 [0,2,0,0,0,0|1,0,1]=4 5822 B11R0.174 CCCC(C)CSC[C@@H](C)CO 62a_100000059175_100011216630 [0,2,0,0,0,0|1,0,1]=4 5823 B11R0.174 CCCC(C)CSC[C@@H](C)CO 62a_100011216630_100000059175 [0,2,0,0,0,0|1,0,1]=4 5824 B11R0.174 CCCC(C)CSC[C@@H](O)CO 62a_100009815848_100011216630 [0,2,0,0,0,0|1,0,1]=4 5825 B11R0.174 CCCC(C)CSC[C@@H](O)CO 62a_100011216630_100009815848 [0,2,0,0,0,0|1,0,1]=4 5826 B11R0.174 CCC[C@H](N)CCOC(C)CO 34a_100015193777_100012180447 [0,2,0,0,0,0|1,0,1]=4 5827 B11R0.174 CCC[C@H](N)COCC(O)CO 34a_100000732646_100011219619 [0,2,0,0,0,0|1,0,1]=4 5828 B11R0.174 CCC[C@H](N)COC[C@@H](C)CO 34a_100000732646_100000059175 [0,2,0,0,0,0|1,0,1]=4 5829 B11R0.174 CCC[C@H](N)COC[C@@H](O)CO 34a_100000732646_100009815848 [0,2,0,0,0,0|1,0,1]=4 5830 B11R0.174 CCN(C)CCCC(=O)CCO 1458a_100011216618_100015186262 [0,2,0,0,0,0|1,0,1]=4 5831 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [0,2,0,0,0,0|0,0,2]=4 5832 B11R0.176 CC(C)CCCCC(=O)CCF 1458a_100011933920_100011217306 [0,2,0,0,0,0|1,0,1]=4 5833 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011216618_100011216152 [0,2,0,0,0,0|0,0,1]=3 5834 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011933920_100000211926 [0,2,0,0,0,0|0,0,1]=3 5835 B11R0.176 CC(C)CCCCN(C)CCO 2230a_100000210263_100011216152 [0,2,0,0,0,0|1,0,1]=4 5836 B11R0.176 CC(C)CCCCN(C)CCO 269982a_100000210263_100011216152 [0,2,0,0,0,0|1,0,1]=4 5837 B11R0.176 CC(C)CCCNC(=O)CCO 240690a_200000737386_100011216618 [0,2,0,0,0,0|1,0,0]=3 5838 B11R0.176 CC(C)CCCNC(C)CCO 2230a_200000737386_100009893172 [0,2,0,0,0,0|1,0,1]=4 5839 B11R0.176 CC(C)CCCNC(C)CCO 34a_200000737386_100009893172 [0,2,0,0,0,0|1,0,1]=4 5840 B11R0.176 CC(C)CCCN[C@H](C)CCO 2230a_100000706166_100011214892 [0,2,0,0,0,0|1,0,1]=4 5841 B11R0.176 CC(C)CCCN[C@H](C)CCO 34a_100000706166_100011214892 [0,2,0,0,0,0|1,0,1]=4 5842 B11R0.176 CC(C)CCCOC(C)CCO 34a_100000210774_100009893172 [0,2,0,0,0,0|1,0,1]=4 5843 B11R0.176 CC(C)CCCOC(C)CCO 7a_100000210774_100009893172 [0,2,0,0,0,0|1,0,1]=4 5844 B11R0.176 CC(C)CCCSC(C)CCO 62a_100009893172_100011214892 [0,2,0,0,0,0|1,0,1]=4 5845 B11R0.176 CC(C)CCCSC(C)CCO 62a_100011214892_100009893172 [0,2,0,0,0,0|1,0,1]=4 5846 B11R0.176 CC(C)OCCNC(=O)CCO 240690a_100000701111_100011216618 [0,2,0,0,0,0|2,0,0]=4 5847 B11R0.176 CC(C)SCCNC(=O)CCO 240690a_100000731138_100011216618 [0,2,0,0,0,0|2,0,0]=4 5848 B11R0.176 CC(O)CCCN[C@H](C)CCO 2230a_100000706166_200000718107 [0,2,0,0,0,0|1,0,1]=4 5849 B11R0.176 CC(O)CCCN[C@H](C)CCO 34a_100000706166_200000718107 [0,2,0,0,0,0|1,0,1]=4 5850 B11R0.176 CC(O)CCCSC(C)CCO 62a_100009893172_200000718107 [0,2,0,0,0,0|1,0,1]=4 5851 B11R0.176 CC(O)CCCSC(C)CCO 62a_200000718107_100009893172 [0,2,0,0,0,0|1,0,1]=4 5852 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100000211992_100011216152 [0,2,0,0,0,0|1,0,1]=4 5853 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100011933920_100000210303 [0,2,0,0,0,0|1,0,1]=4 5854 B11R0.176 CCCC(=O)NCCCC(C)C 11a_200000737386_100000211992 [0,2,0,0,0,0|2,0,0]=4 5855 B11R0.176 CCCC(=O)NCCCC(C)C 1626a_200000737386_100000211992 [0,2,0,0,0,0|2,0,0]=4 5856 B11R0.176 CCCC(=O)NCCCC(C)C 240690a_200000737386_100000211992 [0,2,0,0,0,0|2,0,0]=4 5857 B11R0.176 CCCC(=O)NCCCC(C)C 527a_200000737386_100000211992 [0,2,0,0,0,0|2,0,0]=4 5858 B11R0.176 CCCC(C)CCOCC(C)O 34a_100011217855_100011218427 [0,2,0,0,0,0|1,0,1]=4 5859 B11R0.176 CCCC(C)CCOCC(C)O 7a_100011217855_100011218427 [0,2,0,0,0,0|1,0,1]=4 5860 B11R0.176 CCCC(C)CCOC[C@@H](C)O 34a_100011217855_100009817552 [0,2,0,0,0,0|1,0,1]=4 5861 B11R0.176 CCCC(C)CCOC[C@@H](C)O 7a_100011217855_100009817552 [0,2,0,0,0,0|1,0,1]=4 5862 B11R0.176 CCCC(C)CNCCC(C)O 2230a_200000755665_100011216630 [0,2,0,0,0,0|1,0,1]=4 5863 B11R0.176 CCCC(C)CNCCC(C)O 270004a_200000755665_100000243154 [0,2,0,0,0,0|1,0,1]=4 5864 B11R0.176 CCCC(C)COCCC(C)O 34a_100000688023_100012276601 [0,2,0,0,0,0|1,0,1]=4 5865 B11R0.176 CCCC(C)COCCC(C)O 7a_100000688023_100012276601 [0,2,0,0,0,0|1,0,1]=4 5866 B11R0.176 CCCC(C)CSCCC(C)O 62a_100011216630_100012276601 [0,2,0,0,0,0|1,0,1]=4 5867 B11R0.176 CCCC(C)CSCCC(C)O 62a_100012276601_100011216630 [0,2,0,0,0,0|1,0,1]=4 5868 B11R0.176 CCC[C@H](N)CCOCC(C)O 34a_100015193777_100011218427 [0,2,0,0,0,0|1,0,1]=4 5869 B11R0.176 CCC[C@H](N)CCOC[C@@H](C)O 34a_100015193777_100009817552 [0,2,0,0,0,0|1,0,1]=4 5870 B11R0.176 CCC[C@H](N)COCCC(C)O 34a_100000732646_100012276601 [0,2,0,0,0,0|1,0,1]=4 5871 B11R0.176 CN(C)CCCNC(=O)CCO 240690a_102531767803_100011216618 [0,2,0,0,0,0|2,0,0]=4 5872 B11R0.176 CS(=O)CCCNC(=O)CCO 240690a_200000753449_100011216618 [0,2,0,0,0,0|2,0,0]=4 5873 B11R0.304 CCCC(C)(C)COCCCO 7a_100011995695_100011215043 [0,2,0,0,0,0|1,0,1]=4 5874 B11R0.30 CC(C)CCCCNCC(C)O 2230a_100000210904_100011216152 [0,2,0,0,0,0|1,0,1]=4 5875 B11R0.30 CC(C)CCCCNCC(C)O 34a_100000210904_100011216152 [0,2,0,0,0,0|1,0,1]=4 5876 B11R0.30 CC(C)CCCCOCC(C)O 34a_100011214890_100011218427 [0,2,0,0,0,0|1,0,1]=4 5877 B11R0.30 CC(C)CCCCOCC(C)O 7a_100011214890_100011218427 [0,2,0,0,0,0|1,0,1]=4 5878 B11R0.30 CC(C)CCCCOC[C@@H](C)O 34a_100011214890_100009817552 [0,2,0,0,0,0|1,0,1]=4 5879 B11R0.30 CC(C)CCCCOC[C@@H](C)O 7a_100011214890_100009817552 [0,2,0,0,0,0|1,0,1]=4 5880 B11R0.30 CC(C)CCCCSCC(C)O 62a_100011216152_100011218427 [0,2,0,0,0,0|1,0,1]=4 5881 B11R0.30 CC(C)CCCCSCC(C)O 62a_100011218427_100011216152 [0,2,0,0,0,0|1,0,1]=4 5882 B11R0.30 CC(C)CCCCSC[C@@H](C)O 62a_100009817552_100011216152 [0,2,0,0,0,0|1,0,1]=4 5883 B11R0.30 CC(C)CCCCSC[C@@H](C)O 62a_100011216152_100009817552 [0,2,0,0,0,0|1,0,1]=4 5884 B11R0.30 CC(C)CCCNCCC(C)O 2230a_200000737386_100012276601 [0,2,0,0,0,0|1,0,1]=4 5885 B11R0.30 CC(C)CCCNCCC(C)O 2230a_200000755665_100011214892 [0,2,0,0,0,0|1,0,1]=4 5886 B11R0.30 CC(C)CCCNCCC(C)O 34a_200000737386_100012276601 [0,2,0,0,0,0|1,0,1]=4 5887 B11R0.30 CC(C)CCCOCCC(C)O 34a_100000210774_100012276601 [0,2,0,0,0,0|1,0,1]=4 5888 B11R0.30 CC(C)CCCOCCC(C)O 7a_100000210774_100012276601 [0,2,0,0,0,0|1,0,1]=4 5889 B11R0.30 CC(C)CCCSCCC(C)O 62a_100011214892_100012276601 [0,2,0,0,0,0|1,0,1]=4 5890 B11R0.30 CC(C)CCCSCCC(C)O 62a_100012276601_100011214892 [0,2,0,0,0,0|1,0,1]=4 5891 B11R0.30 CC(O)CCCNCCC(C)O 2230a_200000755665_200000718107 [0,2,0,0,0,0|1,0,1]=4 5892 B11R0.30 CC(O)CCCSCCC(C)O 62a_100012276601_200000718107 [0,2,0,0,0,0|1,0,1]=4 5893 B11R0.30 CC(O)CCCSCCC(C)O 62a_200000718107_100012276601 [0,2,0,0,0,0|1,0,1]=4 5894 B11R0.40 C=CC(O)CNCCCCCC 2230a_100000210581_100000730141 [0,2,0,0,0,0|1,0,1]=4 5895 B11R0.40 C=CC(O)COCCCCCC 34a_100000210259_100000730141 [0,2,0,0,0,0|1,0,1]=4 5896 B11R0.40 C=CC(O)COCCCCCC 7a_100000210259_100000730141 [0,2,0,0,0,0|1,0,1]=4 5897 B11R0.40 C=CC(O)CSCCCCCC 62a_100000210314_100000730141 [0,2,0,0,0,0|1,0,1]=4 5898 B11R0.40 C=CC(O)CSCCCCCC 62a_100000730141_100000210757 [0,2,0,0,0,0|1,0,1]=4 5899 B11R0.40 CC(CO)CNCCCCCF 34a_100000744482_100000729378 [0,2,0,0,0,0|1,0,1]=4 5900 B11R0.40 CC(CO)CNCCCCCO 34a_100000744482_100000746330 [0,2,0,0,0,0|1,0,1]=4 5901 B11R0.40 CC(CO)NCCCCCCO 2230a_100000686447_100012180447 [0,2,0,0,0,0|1,0,1]=4 5902 B11R0.40 CC(CO)NCCCCCCO 34a_100000686447_100012180447 [0,2,0,0,0,0|1,0,1]=4 5903 B11R0.40 CC(CO)OCCCCCCBr 34a_100011215345_100012180447 [0,2,0,0,0,0|1,0,1]=4 5904 B11R0.40 CC(CO)OCCCCCCBr 7a_100011215345_100012180447 [0,2,0,0,0,0|1,0,1]=4 5905 B11R0.40 CC(CO)OCCCCCCCl 34a_100000766143_100012180447 [0,2,0,0,0,0|1,0,1]=4 5906 B11R0.40 CC(CO)OCCCCCCCl 7a_100000766143_100012180447 [0,2,0,0,0,0|1,0,1]=4 5907 B11R0.40 CC(CO)OCCCCCCF 34a_100000732779_100012180447 [0,2,0,0,0,0|1,0,1]=4 5908 B11R0.40 CC(CO)OCCCCCCF 7a_100000732779_100012180447 [0,2,0,0,0,0|1,0,1]=4 5909 B11R0.40 CC(CO)OCCCCCCN 34a_100000686447_100012180447 [0,2,0,0,0,0|1,0,1]=4 5910 B11R0.40 CC(CO)SCCCCCCF 62a_100012180447_100015922095 [0,2,0,0,0,0|1,0,1]=4 5911 B11R0.40 CC(CO)SCCCCCCO 62a_100012180447_100000766143 [0,2,0,0,0,0|1,0,1]=4 5912 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,2,0,0,0,0|0,0,2]=4 5913 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,2,0,0,0,0|0,0,2]=4 5914 B11R0.40 CCC(C)CCCOCCCO 7a_100011216074_100011215043 [0,2,0,0,0,0|0,0,2]=4 5915 B11R0.40 CCC(C)CCCOCCOC 7a_100011216074_100000233755 [0,2,0,0,0,0|1,0,1]=4 5916 B11R0.40 CCC(C)CCNCCCCO 2230a_100020591266_100000210776 [0,2,0,0,0,0|0,0,2]=4 5917 B11R0.40 CCC(C)CCNCCCOC 2230a_100020591266_100000740836 [0,2,0,0,0,0|1,0,1]=4 5918 B11R0.40 CCC(C)CCOCCCCO 7a_100011215188_100000210776 [0,2,0,0,0,0|0,0,2]=4 5919 B11R0.40 CCC(C)CCOCCCOC 7a_100011215188_100000740836 [0,2,0,0,0,0|1,0,1]=4 5920 B11R0.40 CCC(C)CNCCCCCO 2230a_100000762737_100000748023 [0,2,0,0,0,0|0,0,2]=4 5921 B11R0.40 CCC(C)CNCCCCCO 2230a_100020588543_100000746330 [0,2,0,0,0,0|0,0,2]=4 5922 B11R0.40 CCC(C)CNCCCCCO 270004a_100000762737_100000243153 [0,2,0,0,0,0|0,0,2]=4 5923 B11R0.40 CCC(C)CNCCCCCO 34a_100000762737_100000748023 [0,2,0,0,0,0|0,0,2]=4 5924 B11R0.40 CCC(C)CNCCOCCO 2230a_100000211614_100000748023 [0,2,0,0,0,0|1,0,1]=4 5925 B11R0.40 CCC(C)CNCCOCCO 2230a_100020588543_100011215305 [0,2,0,0,0,0|1,0,1]=4 5926 B11R0.40 CCC(C)CNCCOCCO 270004a_100000211614_100000243153 [0,2,0,0,0,0|1,0,1]=4 5927 B11R0.40 CCC(C)CNCCOCCO 34a_100000211614_100000748023 [0,2,0,0,0,0|1,0,1]=4 5928 B11R0.40 CCC(C)CNCCSCCO 2230a_100011219999_100000748023 [0,2,0,0,0,0|1,0,1]=4 5929 B11R0.40 CCC(C)CNCCSCCO 270004a_100011219999_100000243153 [0,2,0,0,0,0|1,0,1]=4 5930 B11R0.40 CCC(C)CSCCCCCO 62a_100000746330_100000748023 [0,2,0,0,0,0|0,0,2]=4 5931 B11R0.40 CCC(C)CSCCCCCO 62a_100000748023_100000746330 [0,2,0,0,0,0|0,0,2]=4 5932 B11R0.40 CCC(C)CSCCOCCO 62a_100000748023_100011215305 [0,2,0,0,0,0|1,0,1]=4 5933 B11R0.40 CCC(C)CSCCOCCO 62a_100011215305_100000748023 [0,2,0,0,0,0|1,0,1]=4 5934 B11R0.40 CCC(C)NCCCCCCO 2230a_100000209981_100000766143 [0,2,0,0,0,0|0,0,2]=4 5935 B11R0.40 CCC(C)NCCCCCCO 2230a_100000686447_100000758301 [0,2,0,0,0,0|0,0,2]=4 5936 B11R0.40 CCC(C)NCCCCCCO 34a_100000686447_100011215416 [0,2,0,0,0,0|0,0,2]=4 5937 B11R0.40 CCC(C)OCCCCCCO 7a_100000210228_100000766143 [0,2,0,0,0,0|0,0,2]=4 5938 B11R0.40 CCC(C)SCCCCCCO 62a_100000758301_100000766143 [0,2,0,0,0,0|0,0,2]=4 5939 B11R0.40 CCC(C)SCCCCCCO 62a_100000766143_100000758301 [0,2,0,0,0,0|0,0,2]=4 5940 B11R0.40 CCC(O)CNCCCCCO 2230a_100000762737_100011218378 [0,2,0,0,0,0|0,0,2]=4 5941 B11R0.40 CCC(O)CNCCCCCO 2230a_100011218483_100000746330 [0,2,0,0,0,0|0,0,2]=4 5942 B11R0.40 CCC(O)CNCCCCCO 34a_100000762737_100011218378 [0,2,0,0,0,0|0,0,2]=4 5943 B11R0.40 CCC(O)CNCCOCCO 2230a_100000211614_100011218378 [0,2,0,0,0,0|1,0,1]=4 5944 B11R0.40 CCC(O)CNCCOCCO 2230a_100011218483_100011215305 [0,2,0,0,0,0|1,0,1]=4 5945 B11R0.40 CCC(O)CNCCOCCO 34a_100000211614_100011218378 [0,2,0,0,0,0|1,0,1]=4 5946 B11R0.40 CCC(O)CNCCSCCO 2230a_100011219999_100011218378 [0,2,0,0,0,0|1,0,1]=4 5947 B11R0.40 CCC(O)CSCCCCCO 62a_100000746330_100011218378 [0,2,0,0,0,0|0,0,2]=4 5948 B11R0.40 CCC(O)CSCCCCCO 62a_100011218378_100000746330 [0,2,0,0,0,0|0,0,2]=4 5949 B11R0.40 CCC(O)CSCCOCCO 62a_100011215305_100011218378 [0,2,0,0,0,0|1,0,1]=4 5950 B11R0.40 CCC(O)CSCCOCCO 62a_100011218378_100011215305 [0,2,0,0,0,0|1,0,1]=4 5951 B11R0.40 CCC/C=C/COCC(=O)CC 7a_100016278788_100000747405 [0,2,0,0,0,0|1,0,1]=4 5952 B11R0.40 CCC/C=C/COCC(C)CC 34a_100016278788_100000748023 [0,2,0,0,0,0|1,0,0]=3 5953 B11R0.40 CCC/C=C/COCC(C)CC 7a_100016278788_100000748023 [0,2,0,0,0,0|1,0,0]=3 5954 B11R0.40 CCC/C=C/COCC(O)CC 34a_100016278788_100011218378 [0,2,0,0,0,0|1,0,0]=3 5955 B11R0.40 CCC/C=C/COCC(O)CC 7a_100016278788_100011218378 [0,2,0,0,0,0|1,0,0]=3 5956 B11R0.40 CCC/C=C/COCC(O)CO 34a_100016278788_100011219619 [0,2,0,0,0,0|2,0,0]=4 5957 B11R0.40 CCC/C=C/COCC(O)CO 7a_100016278788_100011219619 [0,2,0,0,0,0|2,0,0]=4 5958 B11R0.40 CCC/C=C/COC[C@@H](C)CC 34a_100016278788_100009816398 [0,2,0,0,0,0|1,0,0]=3 5959 B11R0.40 CCC/C=C/COC[C@@H](C)CC 7a_100016278788_100009816398 [0,2,0,0,0,0|1,0,0]=3 5960 B11R0.40 CCC/C=C/COC[C@@H](C)CO 34a_100016278788_100000059175 [0,2,0,0,0,0|2,0,0]=4 5961 B11R0.40 CCC/C=C/COC[C@@H](C)CO 7a_100016278788_100000059175 [0,2,0,0,0,0|2,0,0]=4 5962 B11R0.40 CCC/C=C/COC[C@@H](O)CF 34a_100016278788_100015614560 [0,2,0,0,0,0|2,0,0]=4 5963 B11R0.40 CCC/C=C/COC[C@@H](O)CF 7a_100016278788_100015614560 [0,2,0,0,0,0|2,0,0]=4 5964 B11R0.40 CCC/C=C/COC[C@@H](O)CO 34a_100016278788_100009815848 [0,2,0,0,0,0|2,0,0]=4 5965 B11R0.40 CCC/C=C/COC[C@@H](O)CO 7a_100016278788_100009815848 [0,2,0,0,0,0|2,0,0]=4 5966 B11R0.40 CCCC/C=C/COC(C)CC 34a_200016272032_100011215416 [0,2,0,0,0,0|2,0,0]=4 5967 B11R0.40 CCCC/C=C/COC(C)CC 7a_200016272032_100000758301 [0,2,0,0,0,0|2,0,0]=4 5968 B11R0.40 CCCC/C=C/COC(C)CO 34a_200016272032_100012180447 [0,2,0,0,0,0|0,0,2]=4 5969 B11R0.40 CCCC/C=C/COC(C)CO 7a_200016272032_100012180447 [0,2,0,0,0,0|0,0,2]=4 5970 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [0,2,0,0,0,0|1,0,0]=3 5971 B11R0.40 CCCCC/C=C/CC(=O)CF 1458a_100020675968_100015361967 [0,2,0,0,0,0|1,0,0]=3 5972 B11R0.40 CCCCC/C=C/CC(=O)NC 11a_106832991635_100020675968 [0,2,0,0,0,0|0,0,2]=4 5973 B11R0.40 CCCCC/C=C/CC(=O)NC 1626a_100102657272_100020675968 [0,2,0,0,0,0|0,0,2]=4 5974 B11R0.40 CCCCC/C=C/CC(=O)NC 240690a_100102657272_100020675968 [0,2,0,0,0,0|0,0,2]=4 5975 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [0,2,0,0,0,0|0,0,2]=4 5976 B11R0.40 CCCCCC=NNC(C)CC 4a_100000718999_100000737632 [0,2,0,0,0,0|2,0,0]=4 5977 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [0,2,0,0,0,0|1,0,1]=4 5978 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [0,2,0,0,0,0|1,0,1]=4 5979 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,2,0,0,0,0|0,0,2]=4 5980 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [0,2,0,0,0,0|0,0,2]=4 5981 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [0,2,0,0,0,0|0,0,2]=4 5982 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [0,2,0,0,0,0|0,0,2]=4 5983 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [0,2,0,0,0,0|0,0,2]=4 5984 B11R0.40 CCCCCCCNC(C)CO 2230a_100000229938_100012180447 [0,2,0,0,0,0|0,0,2]=4 5985 B11R0.40 CCCCCCCN[C@H](C)CO 2230a_100000737577_100000210681 [0,2,0,0,0,0|0,0,2]=4 5986 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [0,2,0,0,0,0|0,0,2]=4 5987 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [0,2,0,0,0,0|0,0,2]=4 5988 B11R0.40 CCCCCCCSC(C)CO 62a_100012180447_100000210316 [0,2,0,0,0,0|0,0,2]=4 5989 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100000210614_100016084084 [0,2,0,0,0,0|0,0,2]=4 5990 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100016084084_100000210316 [0,2,0,0,0,0|0,0,2]=4 5991 B11R0.40 CCCCCCNCC(C)CO 34a_100000744482_100000210314 [0,2,0,0,0,0|0,0,2]=4 5992 B11R0.40 CCCCCCNCC(O)CC 2230a_100000210581_100011218378 [0,2,0,0,0,0|1,0,1]=4 5993 B11R0.40 CCCCCCNCC(O)CC 2230a_100011218483_100000210314 [0,2,0,0,0,0|1,0,1]=4 5994 B11R0.40 CCCCCCNCC(O)CO 2230a_100000210581_100011219619 [0,2,0,0,0,0|0,0,2]=4 5995 B11R0.40 CCCCCCNC[C@@H](C)CO 2230a_100000210581_100000059175 [0,2,0,0,0,0|0,0,2]=4 5996 B11R0.40 CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210314 [0,2,0,0,0,0|1,0,1]=4 5997 B11R0.40 CCCCCCNC[C@@H](F)CO 34a_100015665980_100000210314 [0,2,0,0,0,0|0,0,2]=4 5998 B11R0.40 CCCCCCNC[C@@H](O)CF 2230a_100000210581_100015614560 [0,2,0,0,0,0|1,0,1]=4 5999 B11R0.40 CCCCCCNC[C@@H](O)CO 2230a_100000210581_100009815848 [0,2,0,0,0,0|0,0,2]=4 6000 B11R0.40 CCCCCCNC[C@H](O)CO 2230a_100020644852_100000210314 [0,2,0,0,0,0|0,0,2]=4 6001 B11R0.40 CCCCCCOCC(C)OC 34a_100000690652_100000210314 [0,2,0,0,0,0|1,0,1]=4 6002 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [0,2,0,0,0,0|1,0,1]=4 6003 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [0,2,0,0,0,0|1,0,1]=4 6004 B11R0.40 CCCCCCOCC(O)CO 34a_100000210259_100011219619 [0,2,0,0,0,0|0,0,2]=4 6005 B11R0.40 CCCCCCOCC(O)CO 7a_100000210259_100011219619 [0,2,0,0,0,0|0,0,2]=4 6006 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [0,2,0,0,0,0|0,0,2]=4 6007 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [0,2,0,0,0,0|0,0,2]=4 6008 B11R0.40 CCCCCCOC[C@@H](O)CF 34a_100000210259_100015614560 [0,2,0,0,0,0|1,0,1]=4 6009 B11R0.40 CCCCCCOC[C@@H](O)CF 7a_100000210259_100015614560 [0,2,0,0,0,0|1,0,1]=4 6010 B11R0.40 CCCCCCOC[C@@H](O)CO 34a_100000210259_100009815848 [0,2,0,0,0,0|0,0,2]=4 6011 B11R0.40 CCCCCCOC[C@@H](O)CO 7a_100000210259_100009815848 [0,2,0,0,0,0|0,0,2]=4 6012 B11R0.40 CCCCCCSCC(O)CC 62a_100000210314_100011218378 [0,2,0,0,0,0|1,0,1]=4 6013 B11R0.40 CCCCCCSCC(O)CC 62a_100011218378_100000210757 [0,2,0,0,0,0|1,0,1]=4 6014 B11R0.40 CCCCCCSCC(O)CO 62a_100000210314_100011219619 [0,2,0,0,0,0|0,0,2]=4 6015 B11R0.40 CCCCCCSCC(O)CO 62a_100011219619_100000210757 [0,2,0,0,0,0|0,0,2]=4 6016 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000059175_100000210757 [0,2,0,0,0,0|0,0,2]=4 6017 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000210314_100000059175 [0,2,0,0,0,0|0,0,2]=4 6018 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100000210314_100015614560 [0,2,0,0,0,0|1,0,1]=4 6019 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100015614560_100000210757 [0,2,0,0,0,0|1,0,1]=4 6020 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100000210314_100009815848 [0,2,0,0,0,0|0,0,2]=4 6021 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100009815848_100000210757 [0,2,0,0,0,0|0,0,2]=4 6022 B11R0.40 CCCCCNCCC(C)CO 2230a_106354213184_100000210326 [0,2,0,0,0,0|0,0,2]=4 6023 B11R0.40 CCCCCNCCC(C)CO 34a_106354213184_100000718602 [0,2,0,0,0,0|0,0,2]=4 6024 B11R0.40 CCCCCNN=CC(C)CC 4a_100000694160_100000243153 [0,2,0,0,0,0|2,0,0]=4 6025 B11R0.40 CCCCCNN=CC(O)CO 4a_100000694160_100000033539 [0,2,0,0,0,0|1,0,0]=3 6026 B11R0.40 CCCCCOCCC(C)OC 7a_100000764861_100000210326 [0,2,0,0,0,0|1,0,1]=4 6027 B11R0.40 CCCCOCCN[C@H](C)CO 2230a_100000737577_100000743108 [0,2,0,0,0,0|1,0,1]=4 6028 B11R0.40 CCCCOCCOC(C)CO 34a_100000210238_100012180447 [0,2,0,0,0,0|1,0,1]=4 6029 B11R0.40 CCCCOCCOC(C)CO 7a_100000210238_100012180447 [0,2,0,0,0,0|1,0,1]=4 6030 B11R0.40 CCCCOCCSC(C)CO 62a_100012180447_100000743108 [0,2,0,0,0,0|1,0,1]=4 6031 B11R0.40 CCCCOCCS[C@H](C)CO 62a_100000743108_100016084084 [0,2,0,0,0,0|1,0,1]=4 6032 B11R0.40 CCCCOCCS[C@H](C)CO 62a_100016084084_100000743108 [0,2,0,0,0,0|1,0,1]=4 6033 B11R0.40 CCCCOCNCC(C)CO 34a_100000744482_100011995733 [0,2,0,0,0,0|1,0,1]=4 6034 B11R0.40 CCCCOCNC[C@@H](F)CO 34a_100015665980_100011995733 [0,2,0,0,0,0|1,0,1]=4 6035 B11R0.40 CCCCOCNC[C@H](O)CO 2230a_100020644852_100011995733 [0,2,0,0,0,0|1,0,1]=4 6036 B11R0.40 CCCCOCSCC(O)CO 62a_100011219619_100011995733 [0,2,0,0,0,0|1,0,1]=4 6037 B11R0.40 CCCCOCSCC(O)CO 62a_100011995733_100011219619 [0,2,0,0,0,0|1,0,1]=4 6038 B11R0.40 CCCCOCSC[C@@H](C)CO 62a_100000059175_100011995733 [0,2,0,0,0,0|1,0,1]=4 6039 B11R0.40 CCCCOCSC[C@@H](C)CO 62a_100011995733_100000059175 [0,2,0,0,0,0|1,0,1]=4 6040 B11R0.40 CCCCOCSC[C@@H](O)CO 62a_100009815848_100011995733 [0,2,0,0,0,0|1,0,1]=4 6041 B11R0.40 CCCCOCSC[C@@H](O)CO 62a_100011995733_100009815848 [0,2,0,0,0,0|1,0,1]=4 6042 B11R0.40 CCCCSCCNC(C)CO 2230a_100025743550_100012180447 [0,2,0,0,0,0|1,0,1]=4 6043 B11R0.40 CCCCSCCOC(C)CO 34a_200000230436_100012180447 [0,2,0,0,0,0|1,0,1]=4 6044 B11R0.40 CCCCSCCOC(C)CO 7a_200000230436_100012180447 [0,2,0,0,0,0|1,0,1]=4 6045 B11R0.40 CCCOCCCNC(C)CO 2230a_100011217757_100012180447 [0,2,0,0,0,0|1,0,1]=4 6046 B11R0.40 CCCOCCCNC(C)CO 34a_100011217757_100012180447 [0,2,0,0,0,0|1,0,1]=4 6047 B11R0.40 CCCOCCNCC(C)CO 34a_100000744482_100011215938 [0,2,0,0,0,0|1,0,1]=4 6048 B11R0.40 CCCOCCNCC(O)CO 2230a_100161115042_100011219619 [0,2,0,0,0,0|1,0,1]=4 6049 B11R0.40 CCCOCCNCC(O)CO 34a_100161115042_100011219619 [0,2,0,0,0,0|1,0,1]=4 6050 B11R0.40 CCCOCCNC[C@@H](C)CO 2230a_100161115042_100000059175 [0,2,0,0,0,0|1,0,1]=4 6051 B11R0.40 CCCOCCNC[C@@H](C)CO 34a_100161115042_100000059175 [0,2,0,0,0,0|1,0,1]=4 6052 B11R0.40 CCCOCCNC[C@@H](F)CO 34a_100015665980_100011215938 [0,2,0,0,0,0|1,0,1]=4 6053 B11R0.40 CCCOCCNC[C@@H](O)CO 2230a_100161115042_100009815848 [0,2,0,0,0,0|1,0,1]=4 6054 B11R0.40 CCCOCCNC[C@@H](O)CO 34a_100161115042_100009815848 [0,2,0,0,0,0|1,0,1]=4 6055 B11R0.40 CCCOCCNC[C@H](O)CO 2230a_100020644852_100011215938 [0,2,0,0,0,0|1,0,1]=4 6056 B11R0.40 CCCOCCOCC(O)CO 34a_100000752267_100011219619 [0,2,0,0,0,0|1,0,1]=4 6057 B11R0.40 CCCOCCOCC(O)CO 7a_100000752267_100011219619 [0,2,0,0,0,0|1,0,1]=4 6058 B11R0.40 CCCOCCOC[C@@H](C)CO 34a_100000752267_100000059175 [0,2,0,0,0,0|1,0,1]=4 6059 B11R0.40 CCCOCCOC[C@@H](C)CO 7a_100000752267_100000059175 [0,2,0,0,0,0|1,0,1]=4 6060 B11R0.40 CCCOCCOC[C@@H](O)CO 34a_100000752267_100009815848 [0,2,0,0,0,0|1,0,1]=4 6061 B11R0.40 CCCOCCOC[C@@H](O)CO 7a_100000752267_100009815848 [0,2,0,0,0,0|1,0,1]=4 6062 B11R0.40 CCCOCCSCC(O)CO 62a_100011215938_100011219619 [0,2,0,0,0,0|1,0,1]=4 6063 B11R0.40 CCCOCCSCC(O)CO 62a_100011219619_100011215938 [0,2,0,0,0,0|1,0,1]=4 6064 B11R0.40 CCCOCCSC[C@@H](C)CO 62a_100000059175_100011215938 [0,2,0,0,0,0|1,0,1]=4 6065 B11R0.40 CCCOCCSC[C@@H](C)CO 62a_100011215938_100000059175 [0,2,0,0,0,0|1,0,1]=4 6066 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100009815848_100011215938 [0,2,0,0,0,0|1,0,1]=4 6067 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100011215938_100009815848 [0,2,0,0,0,0|1,0,1]=4 6068 B11R0.40 CCCSCCNCC(O)CO 2230a_100020603323_100011219619 [0,2,0,0,0,0|1,0,1]=4 6069 B11R0.40 CCCSCCNC[C@@H](C)CO 2230a_100020603323_100000059175 [0,2,0,0,0,0|1,0,1]=4 6070 B11R0.40 CCCSCCNC[C@@H](O)CO 2230a_100020603323_100009815848 [0,2,0,0,0,0|1,0,1]=4 6071 B11R0.40 CCCSCCOCC(O)CO 34a_200000230433_100011219619 [0,2,0,0,0,0|1,0,1]=4 6072 B11R0.40 CCCSCCOCC(O)CO 7a_200000230433_100011219619 [0,2,0,0,0,0|1,0,1]=4 6073 B11R0.40 CCCSCCOC[C@@H](C)CO 34a_200000230433_100000059175 [0,2,0,0,0,0|1,0,1]=4 6074 B11R0.40 CCCSCCOC[C@@H](C)CO 7a_200000230433_100000059175 [0,2,0,0,0,0|1,0,1]=4 6075 B11R0.40 CCCSCCOC[C@@H](O)CO 34a_200000230433_100009815848 [0,2,0,0,0,0|1,0,1]=4 6076 B11R0.40 CCCSCCOC[C@@H](O)CO 7a_200000230433_100009815848 [0,2,0,0,0,0|1,0,1]=4 6077 B11R0.40 CCN(C)CCCCCCCO 2230a_100000225621_100000760002 [0,2,0,0,0,0|0,0,2]=4 6078 B11R0.40 CCN(C)CCCCCCCO 269982a_100000225621_100000760002 [0,2,0,0,0,0|0,0,2]=4 6079 B11R0.40 CCN(C)CCCSCCCO 62a_100011215043_100015186262 [0,2,0,0,0,0|1,0,1]=4 6080 B11R0.40 CCOCCCNCC(C)CO 34a_100000744482_100012232248 [0,2,0,0,0,0|1,0,1]=4 6081 B11R0.40 CCOCCCNCC(O)CO 2230a_100000210961_100011219619 [0,2,0,0,0,0|1,0,1]=4 6082 B11R0.40 CCOCCCNCC(O)CO 34a_100000210961_100011219619 [0,2,0,0,0,0|1,0,1]=4 6083 B11R0.40 CCOCCCNC[C@@H](C)CO 2230a_100000210961_100000059175 [0,2,0,0,0,0|1,0,1]=4 6084 B11R0.40 CCOCCCNC[C@@H](C)CO 34a_100000210961_100000059175 [0,2,0,0,0,0|1,0,1]=4 6085 B11R0.40 CCOCCCNC[C@@H](F)CO 34a_100015665980_100012232248 [0,2,0,0,0,0|1,0,1]=4 6086 B11R0.40 CCOCCCNC[C@@H](O)CO 2230a_100000210961_100009815848 [0,2,0,0,0,0|1,0,1]=4 6087 B11R0.40 CCOCCCNC[C@@H](O)CO 34a_100000210961_100009815848 [0,2,0,0,0,0|1,0,1]=4 6088 B11R0.40 CCOCCCNC[C@H](O)CO 2230a_100020644852_100012232248 [0,2,0,0,0,0|1,0,1]=4 6089 B11R0.40 CCOCCCOCC(O)CO 34a_100000757476_100011219619 [0,2,0,0,0,0|1,0,1]=4 6090 B11R0.40 CCOCCCOCC(O)CO 7a_100000757476_100011219619 [0,2,0,0,0,0|1,0,1]=4 6091 B11R0.40 CCOCCCOC[C@@H](C)CO 34a_100000757476_100000059175 [0,2,0,0,0,0|1,0,1]=4 6092 B11R0.40 CCOCCCOC[C@@H](C)CO 7a_100000757476_100000059175 [0,2,0,0,0,0|1,0,1]=4 6093 B11R0.40 CCOCCCOC[C@@H](O)CO 34a_100000757476_100009815848 [0,2,0,0,0,0|1,0,1]=4 6094 B11R0.40 CCOCCCOC[C@@H](O)CO 7a_100000757476_100009815848 [0,2,0,0,0,0|1,0,1]=4 6095 B11R0.40 CCOCCCSCC(O)CO 62a_100011219619_100012232248 [0,2,0,0,0,0|1,0,1]=4 6096 B11R0.40 CCOCCCSCC(O)CO 62a_100012232248_100011219619 [0,2,0,0,0,0|1,0,1]=4 6097 B11R0.40 CCOCCCSC[C@@H](C)CO 62a_100000059175_100012232248 [0,2,0,0,0,0|1,0,1]=4 6098 B11R0.40 CCOCCCSC[C@@H](C)CO 62a_100012232248_100000059175 [0,2,0,0,0,0|1,0,1]=4 6099 B11R0.40 CCOCCCSC[C@@H](O)CO 62a_100009815848_100012232248 [0,2,0,0,0,0|1,0,1]=4 6100 B11R0.40 CCOCCCSC[C@@H](O)CO 62a_100012232248_100009815848 [0,2,0,0,0,0|1,0,1]=4 6101 B11R0.40 CCOCCNN=CC(O)CO 4a_100000732670_100000033539 [0,2,0,0,0,0|2,0,0]=4 6102 B11R0.40 CCSCCCOCC(O)CO 34a_100011216438_100011219619 [0,2,0,0,0,0|1,0,1]=4 6103 B11R0.40 CCSCCCOCC(O)CO 7a_100011216438_100011219619 [0,2,0,0,0,0|1,0,1]=4 6104 B11R0.40 CCSCCCOC[C@@H](C)CO 34a_100011216438_100000059175 [0,2,0,0,0,0|1,0,1]=4 6105 B11R0.40 CCSCCCOC[C@@H](C)CO 7a_100011216438_100000059175 [0,2,0,0,0,0|1,0,1]=4 6106 B11R0.40 CCSCCCOC[C@@H](O)CO 34a_100011216438_100009815848 [0,2,0,0,0,0|1,0,1]=4 6107 B11R0.40 CCSCCCOC[C@@H](O)CO 7a_100011216438_100009815848 [0,2,0,0,0,0|1,0,1]=4 6108 B11R0.40 CC[C@H](C)CNCCCCCO 2230a_100000762737_100009816398 [0,2,0,0,0,0|0,0,2]=4 6109 B11R0.40 CC[C@H](C)CNCCCCCO 34a_100000762737_100009816398 [0,2,0,0,0,0|0,0,2]=4 6110 B11R0.40 CC[C@H](C)CNCCOCCO 2230a_100000211614_100009816398 [0,2,0,0,0,0|1,0,1]=4 6111 B11R0.40 CC[C@H](C)CNCCOCCO 34a_100000211614_100009816398 [0,2,0,0,0,0|1,0,1]=4 6112 B11R0.40 CC[C@H](C)CNCCSCCO 2230a_100011219999_100009816398 [0,2,0,0,0,0|1,0,1]=4 6113 B11R0.40 CC[C@H](C)COCCCCCO 7a_100009816381_100000746330 [0,2,0,0,0,0|0,0,2]=4 6114 B11R0.40 CC[C@H](C)COCCOCCO 7a_100009816381_100011215305 [0,2,0,0,0,0|1,0,1]=4 6115 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100000746330_100009816398 [0,2,0,0,0,0|0,0,2]=4 6116 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100009816398_100000746330 [0,2,0,0,0,0|0,0,2]=4 6117 B11R0.40 CC[C@H](C)CSCCOCCO 62a_100009816398_100011215305 [0,2,0,0,0,0|1,0,1]=4 6118 B11R0.40 CC[C@H](C)CSCCOCCO 62a_100011215305_100009816398 [0,2,0,0,0,0|1,0,1]=4 6119 B11R0.40 CNCCCCCOC(C)CO 34a_100000722520_100012180447 [0,2,0,0,0,0|1,0,1]=4 6120 B11R0.40 COCCCCCNC(C)CO 2230a_100000747528_100012180447 [0,2,0,0,0,0|1,0,1]=4 6121 B11R0.40 COCCCCCNC(C)CO 34a_100000747528_100012180447 [0,2,0,0,0,0|1,0,1]=4 6122 B11R0.40 COCCCCNCC(C)CO 34a_100000744482_100000755781 [0,2,0,0,0,0|1,0,1]=4 6123 B11R0.40 COCCCCNC[C@@H](F)CO 34a_100015665980_100000755781 [0,2,0,0,0,0|1,0,1]=4 6124 B11R0.40 COCCCCNC[C@H](O)CO 2230a_100020644852_100000730899 [0,2,0,0,0,0|1,0,1]=4 6125 B11R0.40 COCCCCOCC(O)CO 34a_100000740925_100011219619 [0,2,0,0,0,0|1,0,1]=4 6126 B11R0.40 COCCCCOC[C@@H](C)CO 34a_100000740925_100000059175 [0,2,0,0,0,0|1,0,1]=4 6127 B11R0.40 COCCCCOC[C@@H](O)CO 34a_100000740925_100009815848 [0,2,0,0,0,0|1,0,1]=4 6128 B11R0.40 COCCCCSCC(O)CO 62a_100000730899_100011219619 [0,2,0,0,0,0|1,0,1]=4 6129 B11R0.40 COCCCCSCC(O)CO 62a_100011219619_100000730899 [0,2,0,0,0,0|1,0,1]=4 6130 B11R0.40 COCCCCSC[C@@H](C)CO 62a_100000059175_100000730899 [0,2,0,0,0,0|1,0,1]=4 6131 B11R0.40 COCCCCSC[C@@H](C)CO 62a_100000730899_100000059175 [0,2,0,0,0,0|1,0,1]=4 6132 B11R0.40 COCCCCSC[C@@H](O)CO 62a_100000730899_100009815848 [0,2,0,0,0,0|1,0,1]=4 6133 B11R0.40 COCCCCSC[C@@H](O)CO 62a_100009815848_100000730899 [0,2,0,0,0,0|1,0,1]=4 6134 B11R0.40 CSCCCCOCC(O)CO 34a_100011217163_100011219619 [0,2,0,0,0,0|1,0,1]=4 6135 B11R0.40 CSCCCCOCC(O)CO 7a_100011217163_100011219619 [0,2,0,0,0,0|1,0,1]=4 6136 B11R0.40 CSCCCCOC[C@@H](C)CO 34a_100011217163_100000059175 [0,2,0,0,0,0|1,0,1]=4 6137 B11R0.40 CSCCCCOC[C@@H](C)CO 7a_100011217163_100000059175 [0,2,0,0,0,0|1,0,1]=4 6138 B11R0.40 CSCCCCOC[C@@H](O)CO 34a_100011217163_100009815848 [0,2,0,0,0,0|1,0,1]=4 6139 B11R0.40 CSCCCCOC[C@@H](O)CO 7a_100011217163_100009815848 [0,2,0,0,0,0|1,0,1]=4 6140 B11R0.40 C[C@@H](CN)CCCOCCCO 34a_100160569302_100000230001 [0,2,0,0,0,0|1,0,1]=4 6141 B11R0.40 C[C@@H](CO)CNCCCCCO 2230a_100000762737_100000059175 [0,2,0,0,0,0|1,0,1]=4 6142 B11R0.40 C[C@@H](CO)CNCCCCCO 34a_100000762737_100000059175 [0,2,0,0,0,0|1,0,1]=4 6143 B11R0.40 C[C@@H](CO)COCCCCCBr 34a_100000746331_100000059175 [0,2,0,0,0,0|1,0,1]=4 6144 B11R0.40 C[C@@H](CO)COCCCCCBr 7a_100000746331_100000059175 [0,2,0,0,0,0|1,0,1]=4 6145 B11R0.40 C[C@@H](CO)COCCCCCCl 34a_100000746330_100000059175 [0,2,0,0,0,0|1,0,1]=4 6146 B11R0.40 C[C@@H](CO)COCCCCCCl 7a_100000746330_100000059175 [0,2,0,0,0,0|1,0,1]=4 6147 B11R0.40 C[C@@H](CO)COCCCCCI 34a_200012148887_100000059175 [0,2,0,0,0,0|1,0,1]=4 6148 B11R0.40 C[C@@H](CO)COCCCCCI 7a_200012148887_100000059175 [0,2,0,0,0,0|1,0,1]=4 6149 B11R0.40 C[C@@H](CO)COCCCCCN 34a_100000762737_100000059175 [0,2,0,0,0,0|1,0,1]=4 6150 B11R0.40 C[C@@H](CO)CSCCCCCF 62a_100000059175_100000729378 [0,2,0,0,0,0|1,0,1]=4 6151 B11R0.40 C[C@@H](CO)CSCCCCCF 62a_100000729378_100000059175 [0,2,0,0,0,0|1,0,1]=4 6152 B11R0.40 C[C@@H](CO)CSCCCCCO 62a_100000059175_100000746330 [0,2,0,0,0,0|1,0,1]=4 6153 B11R0.40 C[C@@H](CO)CSCCCCCO 62a_100000746330_100000059175 [0,2,0,0,0,0|1,0,1]=4 6154 B11R0.40 C[C@H](CO)NCCCCCCF 2230a_100000737577_100015922095 [0,2,0,0,0,0|1,0,1]=4 6155 B11R0.40 C[C@H](CO)NCCCCCCO 2230a_100000737577_100000766143 [0,2,0,0,0,0|1,0,1]=4 6156 B11R0.40 C[C@H](CO)SCCCCCCF 62a_100015922095_100016084084 [0,2,0,0,0,0|1,0,1]=4 6157 B11R0.40 C[C@H](CO)SCCCCCCF 62a_100016084084_100015922095 [0,2,0,0,0,0|1,0,1]=4 6158 B11R0.40 C[C@H](CO)SCCCCCCO 62a_100000766143_100016084084 [0,2,0,0,0,0|1,0,1]=4 6159 B11R0.40 C[C@H](CO)SCCCCCCO 62a_100016084084_100000766143 [0,2,0,0,0,0|1,0,1]=4 6160 B11R0.40 NCCCCCOCC(O)CO 34a_100000762737_100011219619 [0,2,0,0,0,0|1,0,1]=4 6161 B11R0.40 NCCCCCOC[C@@H](O)CO 34a_100000762737_100009815848 [0,2,0,0,0,0|1,0,1]=4 6162 B11R0.40 OCC(O)COCCCCCBr 34a_100000746331_100011219619 [0,2,0,0,0,0|1,0,1]=4 6163 B11R0.40 OCC(O)COCCCCCBr 7a_100000746331_100011219619 [0,2,0,0,0,0|1,0,1]=4 6164 B11R0.40 OCC(O)COCCCCCCl 34a_100000746330_100011219619 [0,2,0,0,0,0|1,0,1]=4 6165 B11R0.40 OCC(O)COCCCCCCl 7a_100000746330_100011219619 [0,2,0,0,0,0|1,0,1]=4 6166 B11R0.40 OCC(O)COCCCCCI 34a_200012148887_100011219619 [0,2,0,0,0,0|1,0,1]=4 6167 B11R0.40 OCC(O)COCCCCCI 7a_200012148887_100011219619 [0,2,0,0,0,0|1,0,1]=4 6168 B11R0.40 OCC(O)CSCCCCCF 62a_100000729378_100011219619 [0,2,0,0,0,0|1,0,1]=4 6169 B11R0.40 OCC(O)CSCCCCCF 62a_100011219619_100000729378 [0,2,0,0,0,0|1,0,1]=4 6170 B11R0.40 OCCCCCNCC(O)CO 2230a_100000762737_100011219619 [0,2,0,0,0,0|1,0,1]=4 6171 B11R0.40 OCCCCCNCC(O)CO 34a_100000762737_100011219619 [0,2,0,0,0,0|1,0,1]=4 6172 B11R0.40 OCCCCCNC[C@@H](F)CO 34a_100015665980_100000746330 [0,2,0,0,0,0|1,0,1]=4 6173 B11R0.40 OCCCCCNC[C@@H](O)CO 2230a_100000762737_100009815848 [0,2,0,0,0,0|1,0,1]=4 6174 B11R0.40 OCCCCCNC[C@@H](O)CO 34a_100000762737_100009815848 [0,2,0,0,0,0|1,0,1]=4 6175 B11R0.40 OCCCCCNC[C@H](O)CO 2230a_100020644852_100000746330 [0,2,0,0,0,0|1,0,1]=4 6176 B11R0.40 OCCCCCSCC(O)CO 62a_100000746330_100011219619 [0,2,0,0,0,0|1,0,1]=4 6177 B11R0.40 OCCCCCSCC(O)CO 62a_100011219619_100000746330 [0,2,0,0,0,0|1,0,1]=4 6178 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100000746330_100009815848 [0,2,0,0,0,0|1,0,1]=4 6179 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100009815848_100000746330 [0,2,0,0,0,0|1,0,1]=4 6180 B11R0.40 OC[C@@H](O)CNCCCCCF 2230a_100020644852_100000729378 [0,2,0,0,0,0|1,0,1]=4 6181 B11R0.40 OC[C@H](F)CNCCCCCF 34a_100015665980_100000729378 [0,2,0,0,0,0|1,0,1]=4 6182 B11R0.40 OC[C@H](O)COCCCCCBr 34a_100000746331_100009815848 [0,2,0,0,0,0|1,0,1]=4 6183 B11R0.40 OC[C@H](O)COCCCCCBr 7a_100000746331_100009815848 [0,2,0,0,0,0|1,0,1]=4 6184 B11R0.40 OC[C@H](O)COCCCCCCl 34a_100000746330_100009815848 [0,2,0,0,0,0|1,0,1]=4 6185 B11R0.40 OC[C@H](O)COCCCCCCl 7a_100000746330_100009815848 [0,2,0,0,0,0|1,0,1]=4 6186 B11R0.40 OC[C@H](O)COCCCCCI 34a_200012148887_100009815848 [0,2,0,0,0,0|1,0,1]=4 6187 B11R0.40 OC[C@H](O)COCCCCCI 7a_200012148887_100009815848 [0,2,0,0,0,0|1,0,1]=4 6188 B11R0.40 OC[C@H](O)CSCCCCCF 62a_100000729378_100009815848 [0,2,0,0,0,0|1,0,1]=4 6189 B11R0.40 OC[C@H](O)CSCCCCCF 62a_100009815848_100000729378 [0,2,0,0,0,0|1,0,1]=4 6190 B11R0.42 CC(C)C(N)CCOCCCO 34a_100161115045_100000230001 [0,2,0,0,0,0|1,0,1]=4 6191 B11R0.42 CCCCCC=CC(=O)C(C)C 1458a_100016263427_100000210206 [0,2,0,0,0,0|1,0,1]=4 6192 B11R0.46 CC(C)CCC(C)NCCCO 2230a_100138410893_100000230001 [0,2,0,0,0,0|1,0,1]=4 6193 B11R0.46 CC(C)CCC(C)NCCCO 270004a_100000182051_100000210476 [0,2,0,0,0,0|1,0,1]=4 6194 B11R0.46 CC(C)CCC(C)OCCCO 34a_100011215350_100000230001 [0,2,0,0,0,0|1,0,1]=4 6195 B11R0.46 CC(C)CCC(C)OCCCO 7a_100011215350_100011215043 [0,2,0,0,0,0|1,0,1]=4 6196 B11R0.46 CC(C)CCC(C)SCCCO 62a_100011215043_100011261404 [0,2,0,0,0,0|1,0,1]=4 6197 B11R0.46 CC(C)CCC(C)SCCCO 62a_100011261404_100011215043 [0,2,0,0,0,0|1,0,1]=4 6198 B11R0.46 CC(O)CCC(=O)CCCCO 1458a_100000695505_100012276601 [0,2,0,0,0,0|1,0,1]=4 6199 B11R0.46 CCCC=CC(=O)CCC(C)C 1458a_100000212230_100000210312 [0,2,0,0,0,0|1,0,1]=4 6200 B11R0.46 CCCC=CC(=O)CCC(C)O 1458a_100000212230_100012276601 [0,2,0,0,0,0|1,0,1]=4 6201 B11R0.46 CCCCCC(=O)C=CC(C)C 1458a_100016268746_100000210326 [0,2,0,0,0,0|1,0,1]=4 6202 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000181311_100000210326 [0,2,0,0,0,0|1,0,1]=4 6203 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000212188_100000210312 [0,2,0,0,0,0|1,0,1]=4 6204 B11R0.46 CCCCCC(=O)CCC(C)O 1458a_100000212188_100012276601 [0,2,0,0,0,0|0,0,1]=3 6205 B11R0.46 CCCCCC(=O)NCC(C)C 11a_100000210953_100000212188 [0,2,0,0,0,0|2,0,0]=4 6206 B11R0.46 CCCCCC(=O)NCC(C)C 1626a_100000210953_100000212188 [0,2,0,0,0,0|2,0,0]=4 6207 B11R0.46 CCCCCC(=O)NCC(C)C 240690a_100000210953_100000212188 [0,2,0,0,0,0|2,0,0]=4 6208 B11R0.46 CCCCCC(=O)NCC(C)C 527a_100000210953_100000212188 [0,2,0,0,0,0|2,0,0]=4 6209 B11R0.46 CCCCCC(=O)NCC(C)O 11a_100000210904_100000212188 [0,2,0,0,0,0|1,0,0]=3 6210 B11R0.46 CCCCCC(=O)NCC(C)O 240690a_100000210904_100000212188 [0,2,0,0,0,0|1,0,0]=3 6211 B11R0.46 CCCCCC(=O)NCC(C)O 527a_100000210904_100000212188 [0,2,0,0,0,0|1,0,0]=3 6212 B11R0.46 CCCCCC(=O)NCC(F)F 11a_100000765723_100000212188 [0,2,0,0,0,0|2,0,0]=4 6213 B11R0.46 CCCCCC(=O)NCC(F)F 1626a_100000765723_100000212188 [0,2,0,0,0,0|2,0,0]=4 6214 B11R0.46 CCCCCC(=O)NCC(F)F 240690a_100000765723_100000212188 [0,2,0,0,0,0|2,0,0]=4 6215 B11R0.46 CCCCCC(=O)NCC(F)F 527a_100000765723_100000212188 [0,2,0,0,0,0|2,0,0]=4 6216 B11R0.46 CCCCCC(C)NCC(C)O 2230a_100000210904_200011218191 [0,2,0,0,0,0|1,0,1]=4 6217 B11R0.46 CCCCCC(C)NCC(C)O 2230a_100000211957_100011218427 [0,2,0,0,0,0|1,0,1]=4 6218 B11R0.46 CCCCCC(C)NCC(C)O 270004a_100000210904_100000211708 [0,2,0,0,0,0|1,0,1]=4 6219 B11R0.46 CCCCCC(C)NCC(C)O 34a_100000210904_200011218191 [0,2,0,0,0,0|1,0,1]=4 6220 B11R0.46 CCCCCC(C)NC[C@@H](C)O 2230a_100000211957_100009817552 [0,2,0,0,0,0|1,0,1]=4 6221 B11R0.46 CCCCCC(C)OCC(C)O 34a_100011215632_100011218427 [0,2,0,0,0,0|1,0,1]=4 6222 B11R0.46 CCCCCC(C)OCC(C)O 7a_100011215632_100011218427 [0,2,0,0,0,0|1,0,1]=4 6223 B11R0.46 CCCCCC(C)OC[C@@H](C)O 34a_100011215632_100009817552 [0,2,0,0,0,0|1,0,1]=4 6224 B11R0.46 CCCCCC(C)OC[C@@H](C)O 7a_100011215632_100009817552 [0,2,0,0,0,0|1,0,1]=4 6225 B11R0.46 CCCCCC(C)SCC(C)O 62a_100011218427_200011218191 [0,2,0,0,0,0|1,0,1]=4 6226 B11R0.46 CCCCCC(C)SCC(C)O 62a_200011218191_100011218427 [0,2,0,0,0,0|1,0,1]=4 6227 B11R0.46 CCCCCC(C)SC[C@@H](C)O 62a_100009817552_200011218191 [0,2,0,0,0,0|1,0,1]=4 6228 B11R0.46 CCCCCC(C)SC[C@@H](C)O 62a_200011218191_100009817552 [0,2,0,0,0,0|1,0,1]=4 6229 B11R0.46 CCCCCN(C)CCC(C)O 2230a_100000223495_100012276601 [0,2,0,0,0,0|1,0,1]=4 6230 B11R0.46 CCCCCN(C)CCC(C)O 269982a_100000223495_100012276601 [0,2,0,0,0,0|1,0,1]=4 6231 B11R0.46 CCCCNC(=O)CCC(C)O 1626a_100000102301_100000718519 [0,2,0,0,0,0|1,0,1]=4 6232 B11R0.46 CCCCNC(=O)NCC(C)O 2708a_100000102301_100000210904 [0,2,0,0,0,0|2,0,0]=4 6233 B11R0.46 CCCCNC(=O)NCC(C)O 273464a_100000102301_100000210904 [0,2,0,0,0,0|2,0,0]=4 6234 B11R0.46 CCCCNC(=O)NCC(C)O 273464a_100000210904_100000102301 [0,2,0,0,0,0|2,0,0]=4 6235 B11R0.46 CCCCNC(=O)NCC(C)O 512a_100000102301_100000210904 [0,2,0,0,0,0|2,0,0]=4 6236 B11R0.46 CCCCNC(=O)NCC(C)O 512a_100000210904_100000102301 [0,2,0,0,0,0|2,0,0]=4 6237 B11R0.46 CCCOCC(=O)CCC(C)O 1458a_100000745993_100012276601 [0,2,0,0,0,0|1,0,1]=4 6238 B11R0.46 CCCOCC(=O)NCC(C)O 11a_100000210904_100000745993 [0,2,0,0,0,0|2,0,0]=4 6239 B11R0.46 CCCOCC(=O)NCC(C)O 240690a_100000210904_100000745993 [0,2,0,0,0,0|2,0,0]=4 6240 B11R0.46 CCCOCC(=O)NCC(C)O 527a_100000210904_100000745993 [0,2,0,0,0,0|2,0,0]=4 6241 B11R0.46 CCCSCC(=O)CCC(C)O 1458a_100000217233_100012276601 [0,2,0,0,0,0|1,0,1]=4 6242 B11R0.46 CCCSCC(=O)NCC(C)O 11a_100000210904_100000217233 [0,2,0,0,0,0|2,0,0]=4 6243 B11R0.46 CCCSCC(=O)NCC(C)O 240690a_100000210904_100000217233 [0,2,0,0,0,0|2,0,0]=4 6244 B11R0.46 CCCSCC(=O)NCC(C)O 527a_100000210904_100000217233 [0,2,0,0,0,0|2,0,0]=4 6245 B11R0.46 CCOCCC(=O)CCC(C)O 1458a_100000749530_100012276601 [0,2,0,0,0,0|1,0,1]=4 6246 B11R0.46 CCOCCC(=O)NCC(C)O 11a_100000210904_100000749530 [0,2,0,0,0,0|2,0,0]=4 6247 B11R0.46 CCOCCC(=O)NCC(C)O 240690a_100000210904_100000749530 [0,2,0,0,0,0|2,0,0]=4 6248 B11R0.46 CCOCCC(=O)NCC(C)O 527a_100000210904_100000749530 [0,2,0,0,0,0|2,0,0]=4 6249 B11R0.46 CCSCCC(=O)CCC(C)O 1458a_100000230768_100012276601 [0,2,0,0,0,0|1,0,1]=4 6250 B11R0.46 CCSCCC(=O)NCC(C)O 11a_100000210904_100000230768 [0,2,0,0,0,0|2,0,0]=4 6251 B11R0.46 CCSCCC(=O)NCC(C)O 240690a_100000210904_100000230768 [0,2,0,0,0,0|2,0,0]=4 6252 B11R0.46 CCSCCC(=O)NCC(C)O 527a_100000210904_100000230768 [0,2,0,0,0,0|2,0,0]=4 6253 B11R0.46 COCCCC(=O)CCC(C)O 1458a_100000741012_100012276601 [0,2,0,0,0,0|1,0,1]=4 6254 B11R0.46 COCCCC(=O)NCC(C)O 11a_100000210904_100000741012 [0,2,0,0,0,0|2,0,0]=4 6255 B11R0.46 COCCCC(=O)NCC(C)O 240690a_100000210904_100000741012 [0,2,0,0,0,0|2,0,0]=4 6256 B11R0.46 COCCCC(=O)NCC(C)O 527a_100000210904_100000741012 [0,2,0,0,0,0|2,0,0]=4 6257 B11R0.46 CSCCCC(=O)CCC(C)O 1458a_100000173376_100012276601 [0,2,0,0,0,0|1,0,1]=4 6258 B11R0.46 CSCCCC(=O)NCC(C)O 11a_100000210904_100000173376 [0,2,0,0,0,0|2,0,0]=4 6259 B11R0.46 CSCCCC(=O)NCC(C)O 240690a_100000210904_100000173376 [0,2,0,0,0,0|2,0,0]=4 6260 B11R0.46 CSCCCC(=O)NCC(C)O 527a_100000210904_100000173376 [0,2,0,0,0,0|2,0,0]=4 6261 B11R0.111 CC(C)CCCCN[C@H](C)CO 2230a_100000737577_100011216152 [0,2,0,0,0,0|1,0,1]=4 6262 B11R0.111 CC(C)CCCCOC(C)CO 34a_100011214890_100012180447 [0,2,0,0,0,0|1,0,1]=4 6263 B11R0.111 CC(C)CCCCOC(C)CO 7a_100011214890_100012180447 [0,2,0,0,0,0|1,0,1]=4 6264 B11R0.111 CC(C)CCCCSC(C)CO 62a_100012180447_100011216152 [0,2,0,0,0,0|1,0,1]=4 6265 B11R0.111 CC(C)CCCCS[C@H](C)CO 62a_100011216152_100016084084 [0,2,0,0,0,0|1,0,1]=4 6266 B11R0.111 CC(C)CCCCS[C@H](C)CO 62a_100016084084_100011216152 [0,2,0,0,0,0|1,0,1]=4 6267 B11R0.111 CC(C)CCCNCC(C)CO 34a_100000744482_100011214892 [0,2,0,0,0,0|1,0,1]=4 6268 B11R0.111 CC(C)CCCNCC(O)CO 2230a_200000737386_100011219619 [0,2,0,0,0,0|1,0,1]=4 6269 B11R0.111 CC(C)CCCNCC(O)CO 34a_200000737386_100011219619 [0,2,0,0,0,0|1,0,1]=4 6270 B11R0.111 CC(C)CCCNC[C@@H](C)CO 2230a_200000737386_100000059175 [0,2,0,0,0,0|1,0,1]=4 6271 B11R0.111 CC(C)CCCNC[C@@H](C)CO 34a_200000737386_100000059175 [0,2,0,0,0,0|1,0,1]=4 6272 B11R0.111 CC(C)CCCNC[C@@H](F)CO 34a_100015665980_100011214892 [0,2,0,0,0,0|1,0,1]=4 6273 B11R0.111 CC(C)CCCNC[C@@H](O)CO 2230a_200000737386_100009815848 [0,2,0,0,0,0|1,0,1]=4 6274 B11R0.111 CC(C)CCCNC[C@@H](O)CO 34a_200000737386_100009815848 [0,2,0,0,0,0|1,0,1]=4 6275 B11R0.111 CC(C)CCCNC[C@H](O)CO 2230a_100020644852_100011214892 [0,2,0,0,0,0|1,0,1]=4 6276 B11R0.111 CC(C)CCCOCC(O)CO 34a_100000210774_100011219619 [0,2,0,0,0,0|1,0,1]=4 6277 B11R0.111 CC(C)CCCOCC(O)CO 7a_100000210774_100011219619 [0,2,0,0,0,0|1,0,1]=4 6278 B11R0.111 CC(C)CCCOC[C@@H](C)CO 34a_100000210774_100000059175 [0,2,0,0,0,0|1,0,1]=4 6279 B11R0.111 CC(C)CCCOC[C@@H](C)CO 7a_100000210774_100000059175 [0,2,0,0,0,0|1,0,1]=4 6280 B11R0.111 CC(C)CCCOC[C@@H](O)CO 34a_100000210774_100009815848 [0,2,0,0,0,0|1,0,1]=4 6281 B11R0.111 CC(C)CCCOC[C@@H](O)CO 7a_100000210774_100009815848 [0,2,0,0,0,0|1,0,1]=4 6282 B11R0.111 CC(C)CCCSCC(O)CO 62a_100011214892_100011219619 [0,2,0,0,0,0|1,0,1]=4 6283 B11R0.111 CC(C)CCCSCC(O)CO 62a_100011219619_100011214892 [0,2,0,0,0,0|1,0,1]=4 6284 B11R0.111 CC(C)CCCSC[C@@H](C)CO 62a_100000059175_100011214892 [0,2,0,0,0,0|1,0,1]=4 6285 B11R0.111 CC(C)CCCSC[C@@H](C)CO 62a_100011214892_100000059175 [0,2,0,0,0,0|1,0,1]=4 6286 B11R0.111 CC(C)CCCSC[C@@H](O)CO 62a_100009815848_100011214892 [0,2,0,0,0,0|1,0,1]=4 6287 B11R0.111 CC(C)CCCSC[C@@H](O)CO 62a_100011214892_100009815848 [0,2,0,0,0,0|1,0,1]=4 6288 B11R0.111 CC(O)CCCNCC(C)CO 34a_100000744482_200000718107 [0,2,0,0,0,0|1,0,1]=4 6289 B11R0.111 CC(O)CCCNC[C@@H](F)CO 34a_100015665980_200000718107 [0,2,0,0,0,0|1,0,1]=4 6290 B11R0.111 CC(O)CCCNC[C@H](O)CO 2230a_100020644852_200000718107 [0,2,0,0,0,0|1,0,1]=4 6291 B11R0.111 CC(O)CCCSCC(O)CO 62a_100011219619_200000718107 [0,2,0,0,0,0|1,0,1]=4 6292 B11R0.111 CC(O)CCCSCC(O)CO 62a_200000718107_100011219619 [0,2,0,0,0,0|1,0,1]=4 6293 B11R0.111 CC(O)CCCSC[C@@H](C)CO 62a_100000059175_200000718107 [0,2,0,0,0,0|1,0,1]=4 6294 B11R0.111 CC(O)CCCSC[C@@H](C)CO 62a_200000718107_100000059175 [0,2,0,0,0,0|1,0,1]=4 6295 B11R0.111 CC(O)CCCSC[C@@H](O)CO 62a_100009815848_200000718107 [0,2,0,0,0,0|1,0,1]=4 6296 B11R0.111 CC(O)CCCSC[C@@H](O)CO 62a_200000718107_100009815848 [0,2,0,0,0,0|1,0,1]=4 6297 B11R0.111 CCC(C)CCCOCC(C)O 7a_100011216074_100011218427 [0,2,0,0,0,0|1,0,1]=4 6298 B11R0.111 CCC(C)CCCOC[C@@H](C)O 7a_100011216074_100009817552 [0,2,0,0,0,0|1,0,1]=4 6299 B11R0.111 CCC(C)CCNCCC(C)O 2230a_100020591266_100012276601 [0,2,0,0,0,0|1,0,1]=4 6300 B11R0.111 CCC(C)CCOCCC(C)O 7a_100011215188_100012276601 [0,2,0,0,0,0|1,0,1]=4 6301 B11R0.147 CC(C)CCCC(=O)C#CCO 1458a_100000049017_100011214892 [0,2,0,0,0,0|0,0,2]=4 6302 B11R0.147 CC(C)CCCC(=O)CCCF 1458a_100011216857_100011934791 [0,2,0,0,0,0|1,0,1]=4 6303 B11R0.147 CC(C)CCCC(=O)CCCO 1458a_100011216857_100011215043 [0,2,0,0,0,0|0,0,1]=3 6304 B11R0.147 CC(C)CCCC(=O)NCCF 11a_100000724931_100011216857 [0,2,0,0,0,0|2,0,0]=4 6305 B11R0.147 CC(C)CCCC(=O)NCCF 1626a_100000724931_100011216857 [0,2,0,0,0,0|2,0,0]=4 6306 B11R0.147 CC(C)CCCC(=O)NCCF 240690a_100000724931_100011216857 [0,2,0,0,0,0|2,0,0]=4 6307 B11R0.147 CC(C)CCCC(=O)NCCF 527a_100000724931_100011216857 [0,2,0,0,0,0|2,0,0]=4 6308 B11R0.147 CC(C)CCCC(=O)NCCO 240690a_100000210304_100011216857 [0,2,0,0,0,0|1,0,0]=3 6309 B11R0.147 CC(C)CCCC(=O)NCCO 527a_100000210304_100011216857 [0,2,0,0,0,0|1,0,0]=3 6310 B11R0.147 CC(C)CCCC(C)NCCO 2230a_100000210607_100000211926 [0,2,0,0,0,0|1,0,1]=4 6311 B11R0.147 CC(C)CCCC(C)NCCO 270004a_100000210304_100000753411 [0,2,0,0,0,0|1,0,1]=4 6312 B11R0.147 CC(C)CCCC(C)OCCO 34a_200011218570_100000211926 [0,2,0,0,0,0|1,0,1]=4 6313 B11R0.147 CC(C)CCCC(C)OCCO 7a_200011218570_100000211926 [0,2,0,0,0,0|1,0,1]=4 6314 B11R0.147 CC(C)CCCN(C)CCCO 2230a_100000213112_100011214892 [0,2,0,0,0,0|1,0,1]=4 6315 B11R0.147 CC(C)CCCN(C)CCCO 269982a_100000213112_100011214892 [0,2,0,0,0,0|1,0,1]=4 6316 B11R0.147 CC(C)CCNC(=O)NCCO 2708a_100000210545_100000210304 [0,2,0,0,0,0|2,0,0]=4 6317 B11R0.147 CC(C)CCNC(=O)NCCO 273464a_100000210304_100000210545 [0,2,0,0,0,0|2,0,0]=4 6318 B11R0.147 CC(C)CCNC(=O)NCCO 273464a_100000210545_100000210304 [0,2,0,0,0,0|2,0,0]=4 6319 B11R0.147 CC(C)CCNC(=O)NCCO 512a_100000210545_100000210304 [0,2,0,0,0,0|2,0,0]=4 6320 B11R0.147 CC(C)COCC(=O)CCCO 1458a_100011223364_100011215043 [0,2,0,0,0,0|1,0,1]=4 6321 B11R0.147 CC(C)COCC(=O)NCCO 240690a_100000210304_100011223364 [0,2,0,0,0,0|2,0,0]=4 6322 B11R0.147 CC(C)COCC(=O)NCCO 527a_100000210304_100011223364 [0,2,0,0,0,0|2,0,0]=4 6323 B11R0.147 CC(O)CCCC(=O)C#CCO 1458a_100000049017_200000718107 [0,2,0,0,0,0|0,0,2]=4 6324 B11R0.147 CC(O)CCCC(=O)NCCF 1626a_100000724931_100000761597 [0,2,0,0,0,0|2,0,0]=4 6325 B11R0.147 CC(O)CCCC(=O)NCCF 527a_100000724931_100000761597 [0,2,0,0,0,0|2,0,0]=4 6326 B11R0.147 CC(O)CCCC(=O)NCCO 527a_100000210304_100000761597 [0,2,0,0,0,0|1,0,0]=3 6327 B11R0.147 CC(O)CCCN(C)CCCO 2230a_100000213112_200000718107 [0,2,0,0,0,0|1,0,1]=4 6328 B11R0.147 CC(O)CCCN(C)CCCO 269982a_100000213112_200000718107 [0,2,0,0,0,0|1,0,1]=4 6329 B11R0.147 CC(O)CCNC(=O)NCCO 273464a_200000755665_100000210304 [0,2,0,0,0,0|2,0,0]=4 6330 B11R0.147 CC(O)CCNC(=O)NCCO 512a_200000755665_100000210304 [0,2,0,0,0,0|2,0,0]=4 6331 B11R0.147 CCC=CC(=O)CCCC(C)C 1458a_100000212282_100011214892 [0,2,0,0,0,0|1,0,1]=4 6332 B11R0.147 CCC=CC(=O)CCCC(C)O 1458a_100000212282_200000718107 [0,2,0,0,0,0|1,0,1]=4 6333 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100000210183_100011214892 [0,2,0,0,0,0|1,0,1]=4 6334 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100011216857_100000210211 [0,2,0,0,0,0|1,0,1]=4 6335 B11R0.147 CCCCC(=O)CCCC(C)O 1458a_100000210183_200000718107 [0,2,0,0,0,0|1,0,1]=4 6336 B11R0.147 CCCCC(C)COCC(C)O 34a_100011995851_100011218427 [0,2,0,0,0,0|1,0,1]=4 6337 B11R0.147 CCCCC(C)COCC(C)O 7a_100011995851_100011218427 [0,2,0,0,0,0|1,0,1]=4 6338 B11R0.147 CCCCC(C)COC[C@@H](C)O 34a_100011995851_100009817552 [0,2,0,0,0,0|1,0,1]=4 6339 B11R0.147 CCCCC(C)COC[C@@H](C)O 7a_100011995851_100009817552 [0,2,0,0,0,0|1,0,1]=4 6340 B11R0.147 CCCCC(C)NCCC(C)O 2230a_100000126638_100012276601 [0,2,0,0,0,0|1,0,1]=4 6341 B11R0.147 CCCCC(C)NCCC(C)O 2230a_200000755665_200011215066 [0,2,0,0,0,0|1,0,1]=4 6342 B11R0.147 CCCCC(C)NCCC(C)O 270004a_200000755665_100000210087 [0,2,0,0,0,0|1,0,1]=4 6343 B11R0.147 CCCCC(C)OCCC(C)O 34a_100000687866_100012276601 [0,2,0,0,0,0|1,0,1]=4 6344 B11R0.147 CCCCC(C)OCCC(C)O 7a_100000687866_100012276601 [0,2,0,0,0,0|1,0,1]=4 6345 B11R0.147 CCCCC(C)SCCC(C)O 62a_100012276601_200011215066 [0,2,0,0,0,0|1,0,1]=4 6346 B11R0.147 CCCCC(C)SCCC(C)O 62a_200011215066_100012276601 [0,2,0,0,0,0|1,0,1]=4 6347 B11R0.147 CCCC[C@H](N)COCC(C)O 34a_100011934283_100011218427 [0,2,0,0,0,0|1,0,1]=4 6348 B11R0.147 CCCC[C@H](N)COC[C@@H](C)O 34a_100011934283_100009817552 [0,2,0,0,0,0|1,0,1]=4 6349 B11R0.147 CCCNC(=O)CCCC(C)C 11a_100020643023_100011216857 [0,2,0,0,0,0|2,0,0]=4 6350 B11R0.147 CCCNC(=O)CCCC(C)C 1626a_100020643023_100011216857 [0,2,0,0,0,0|2,0,0]=4 6351 B11R0.147 CCCNC(=O)CCCC(C)C 240690a_100020643023_100011216857 [0,2,0,0,0,0|2,0,0]=4 6352 B11R0.147 CCCNC(=O)CCCC(C)C 527a_100020643023_100011216857 [0,2,0,0,0,0|2,0,0]=4 6353 B11R0.147 CCCNC(=O)CCCC(C)O 1626a_100020643023_100000761597 [0,2,0,0,0,0|2,0,0]=4 6354 B11R0.147 CCCNC(=O)CCCC(C)O 527a_100020643023_100000761597 [0,2,0,0,0,0|2,0,0]=4 6355 B11R0.147 CN(C)CCCC(=O)NCCO 240690a_100000210304_100000740757 [0,2,0,0,0,0|2,0,0]=4 6356 B11R0.148 C=C(C)CCOC/C=C/CCC 34a_100016278788_100000730704 [0,2,0,0,0,0|1,0,1]=4 6357 B11R0.148 C=C(C)CCOC/C=C/CCC 7a_100016278788_100000730704 [0,2,0,0,0,0|1,0,1]=4 6358 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,2,0,0,0,0|0,0,2]=4 6359 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [0,2,0,0,0,0|1,0,1]=4 6360 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [0,2,0,0,0,0|1,0,1]=4 6361 B11R0.148 CC(Br)CCOCCCCCO 34a_100009893172_100000746330 [0,2,0,0,0,0|0,0,2]=4 6362 B11R0.148 CC(Br)CCOCCOCCO 34a_100009893172_100000692535 [0,2,0,0,0,0|1,0,1]=4 6363 B11R0.148 CC(Br)COCCCCCCO 34a_100012180447_100000766143 [0,2,0,0,0,0|0,0,2]=4 6364 B11R0.148 CC(C)CCCCCCCO[13CH3] 34a_200000210741_200025704644 [0,2,0,0,0,0|0,0,2]=4 6365 B11R0.148 CC(C)CCCCCCCO[13CH3] 7a_200000210741_200025704644 [0,2,0,0,0,0|0,0,2]=4 6366 B11R0.148 CC(C)CCCCCNCCO 2230a_100011290863_100000211926 [0,2,0,0,0,0|0,0,2]=4 6367 B11R0.148 CC(C)CCCCCNCCO 2230a_100016997473_100000210682 [0,2,0,0,0,0|0,0,2]=4 6368 B11R0.148 CC(C)CCCCCNCCO 34a_100011290863_100000211926 [0,2,0,0,0,0|0,0,2]=4 6369 B11R0.148 CC(C)CCCCCNCCO 34a_100016990907_100000210682 [0,2,0,0,0,0|0,0,2]=4 6370 B11R0.148 CC(C)CCCCCOCCO 34a_100011995859_100000211926 [0,2,0,0,0,0|0,0,2]=4 6371 B11R0.148 CC(C)CCCCCOCCO 7a_100011995859_100000211926 [0,2,0,0,0,0|0,0,2]=4 6372 B11R0.148 CC(C)CCCCCSCCO 62a_100000210682_100000211926 [0,2,0,0,0,0|0,0,2]=4 6373 B11R0.148 CC(C)CCCCCSCCO 62a_100000211926_100000210682 [0,2,0,0,0,0|0,0,2]=4 6374 B11R0.148 CC(C)CCCCOCCCO 34a_100011214890_100000230001 [0,2,0,0,0,0|0,0,2]=4 6375 B11R0.148 CC(C)CCCCOCCCO 7a_100011214890_100011215043 [0,2,0,0,0,0|0,0,2]=4 6376 B11R0.148 CC(C)CCCCOCCON 34a_100000700252_100011216152 [0,2,0,0,0,0|1,0,1]=4 6377 B11R0.148 CC(C)CCCCSCCCO 62a_100011215043_100011216152 [0,2,0,0,0,0|0,0,2]=4 6378 B11R0.148 CC(C)CCCCSCCCO 62a_100011216152_100011215043 [0,2,0,0,0,0|0,0,2]=4 6379 B11R0.148 CC(C)CCCNCCCCO 2230a_100000750430_100011214892 [0,2,0,0,0,0|0,0,2]=4 6380 B11R0.148 CC(C)CCCNCCCCO 2230a_200000737386_100000210776 [0,2,0,0,0,0|0,0,2]=4 6381 B11R0.148 CC(C)CCCNCCCCO 34a_100000750430_100011214892 [0,2,0,0,0,0|0,0,2]=4 6382 B11R0.148 CC(C)CCCNCCCCO 34a_200000737386_100011216708 [0,2,0,0,0,0|0,0,2]=4 6383 B11R0.148 CC(C)CCCOCCCCO 34a_100000210774_100011216708 [0,2,0,0,0,0|0,0,2]=4 6384 B11R0.148 CC(C)CCCOCCCCO 7a_100000210774_100000210776 [0,2,0,0,0,0|0,0,2]=4 6385 B11R0.148 CC(C)CCCSCCCCO 62a_100000210776_100011214892 [0,2,0,0,0,0|0,0,2]=4 6386 B11R0.148 CC(C)CCCSCCCCO 62a_100011214892_100000210776 [0,2,0,0,0,0|0,0,2]=4 6387 B11R0.148 CC(C)CCNCCCCCO 2230a_100000762737_100000210312 [0,2,0,0,0,0|0,0,2]=4 6388 B11R0.148 CC(C)CCNCCCCCO 269862a_100000762737_100000185833 [0,2,0,0,0,0|0,0,2]=4 6389 B11R0.148 CC(C)CCNCCCCCO 34a_100000762737_100000210312 [0,2,0,0,0,0|0,0,2]=4 6390 B11R0.148 CC(C)CCNCCOCCO 2230a_100000211614_100000210312 [0,2,0,0,0,0|1,0,1]=4 6391 B11R0.148 CC(C)CCNCCOCCO 269862a_100000211614_100000185833 [0,2,0,0,0,0|1,0,1]=4 6392 B11R0.148 CC(C)CCNCCOCCO 34a_100000211614_100000210312 [0,2,0,0,0,0|1,0,1]=4 6393 B11R0.148 CC(C)CCNCCSCCO 2230a_100011219999_100000210312 [0,2,0,0,0,0|1,0,1]=4 6394 B11R0.148 CC(C)CCNCCSCCO 269862a_100011219999_100000185833 [0,2,0,0,0,0|1,0,1]=4 6395 B11R0.148 CC(C)CCOCCCCCO 34a_100000210254_100000746330 [0,2,0,0,0,0|0,0,2]=4 6396 B11R0.148 CC(C)CCOCCCCCO 7a_100000210254_100000746330 [0,2,0,0,0,0|0,0,2]=4 6397 B11R0.148 CC(C)CCOCCOCCO 34a_100000210254_100000692535 [0,2,0,0,0,0|1,0,1]=4 6398 B11R0.148 CC(C)CCOCCOCCO 7a_100000210254_100011215305 [0,2,0,0,0,0|1,0,1]=4 6399 B11R0.148 CC(C)CCSCCCCCO 62a_100000210312_100000746330 [0,2,0,0,0,0|0,0,2]=4 6400 B11R0.148 CC(C)CCSCCCCCO 62a_100000746330_100000210312 [0,2,0,0,0,0|0,0,2]=4 6401 B11R0.148 CC(C)CCSCCOCCO 62a_100000210312_100011215305 [0,2,0,0,0,0|1,0,1]=4 6402 B11R0.148 CC(C)CCSCCOCCO 62a_100011215305_100000210312 [0,2,0,0,0,0|1,0,1]=4 6403 B11R0.148 CC(C)CNCCCCCCO 2230a_100000210953_100000766143 [0,2,0,0,0,0|0,0,2]=4 6404 B11R0.148 CC(C)CNCCCCCCO 2230a_100000686447_100000210760 [0,2,0,0,0,0|0,0,2]=4 6405 B11R0.148 CC(C)CNCCCCCCO 270004a_100000686447_100000210432 [0,2,0,0,0,0|0,0,2]=4 6406 B11R0.148 CC(C)CNCCCCCCO 34a_100000210953_100000766143 [0,2,0,0,0,0|0,0,2]=4 6407 B11R0.148 CC(C)CNCCCCCCO 34a_100000686447_100000210624 [0,2,0,0,0,0|0,0,2]=4 6408 B11R0.148 CC(C)CNCCOCCCO 34a_100015185251_100000230001 [0,2,0,0,0,0|1,0,1]=4 6409 B11R0.148 CC(C)COCCCCCCO 34a_100000210257_100000766143 [0,2,0,0,0,0|0,0,2]=4 6410 B11R0.148 CC(C)COCCCNCCO 2230a_100000205972_100000211926 [0,2,0,0,0,0|1,0,1]=4 6411 B11R0.148 CC(C)COCCCNCCO 34a_100000205972_100000211926 [0,2,0,0,0,0|1,0,1]=4 6412 B11R0.148 CC(C)COCCOCCCO 34a_100000703358_100000230001 [0,2,0,0,0,0|1,0,1]=4 6413 B11R0.148 CC(C)COCCOCCCO 7a_100000703358_100011215043 [0,2,0,0,0,0|1,0,1]=4 6414 B11R0.148 CC(C)CSCCCCCCO 62a_100000210624_100000766143 [0,2,0,0,0,0|0,0,2]=4 6415 B11R0.148 CC(C)CSCCCCCCO 62a_100000766143_100000210760 [0,2,0,0,0,0|0,0,2]=4 6416 B11R0.148 CC(C)CSCCOCCCO 34a_200000230437_100000230001 [0,2,0,0,0,0|1,0,1]=4 6417 B11R0.148 CC(C)CSCCOCCCO 7a_200000230437_100011215043 [0,2,0,0,0,0|1,0,1]=4 6418 B11R0.148 CC(C)NCCCCCCCO 2230a_100011996573_100000210206 [0,2,0,0,0,0|0,0,2]=4 6419 B11R0.148 CC(C)NCCCCCCCO 2230a_100138425928_100000760002 [0,2,0,0,0,0|0,0,2]=4 6420 B11R0.148 CC(C)NCCCCCCCO 34a_100011996573_100000210206 [0,2,0,0,0,0|0,0,2]=4 6421 B11R0.148 CC(C)NCCCCCCCO 34a_100138425928_100000760002 [0,2,0,0,0,0|0,0,2]=4 6422 B11R0.148 CC(C)NCCCCOCCO 34a_100011521146_100000211926 [0,2,0,0,0,0|1,0,1]=4 6423 B11R0.148 CC(C)NCCCOCCCO 2230a_100011310245_100000210206 [0,2,0,0,0,0|1,0,1]=4 6424 B11R0.148 CC(C)NCCCOCCCO 34a_100000182298_100000230001 [0,2,0,0,0,0|1,0,1]=4 6425 B11R0.148 CC(C)NCCCOCCCO 34a_100011310245_100000210206 [0,2,0,0,0,0|1,0,1]=4 6426 B11R0.148 CC(C)OCCCCCCCO 34a_100000212225_100000760002 [0,2,0,0,0,0|0,0,2]=4 6427 B11R0.148 CC(C)OCCCNCCCO 2230a_100000737246_100000230001 [0,2,0,0,0,0|1,0,1]=4 6428 B11R0.148 CC(C)OCCCNCCCO 34a_100000737246_100000230001 [0,2,0,0,0,0|1,0,1]=4 6429 B11R0.148 CC(C)SCCCCCCCO 62a_100000210206_100000760002 [0,2,0,0,0,0|0,0,2]=4 6430 B11R0.148 CC(C)SCCCCCCCO 62a_100000760002_100000210206 [0,2,0,0,0,0|0,0,2]=4 6431 B11R0.148 CC(F)COCCCCCCO 34a_100015925927_100000766143 [0,2,0,0,0,0|0,0,2]=4 6432 B11R0.148 CC(O)CCCNCCCCO 2230a_100000750430_200000718107 [0,2,0,0,0,0|0,0,2]=4 6433 B11R0.148 CC(O)CCCNCCCCO 34a_100000750430_200000718107 [0,2,0,0,0,0|0,0,2]=4 6434 B11R0.148 CC(O)CCCSCCCCO 62a_100000210776_200000718107 [0,2,0,0,0,0|0,0,2]=4 6435 B11R0.148 CC(O)CCCSCCCCO 62a_200000718107_100000210776 [0,2,0,0,0,0|0,0,2]=4 6436 B11R0.148 CC(O)CCNCCCCCF 2230a_200000755665_100000729378 [0,2,0,0,0,0|1,0,1]=4 6437 B11R0.148 CC(O)CCNCCCCCO 2230a_100000762737_100012276601 [0,2,0,0,0,0|0,0,2]=4 6438 B11R0.148 CC(O)CCNCCCCCO 2230a_200000755665_100000746330 [0,2,0,0,0,0|0,0,2]=4 6439 B11R0.148 CC(O)CCNCCCCCO 34a_100000762737_100012276601 [0,2,0,0,0,0|0,0,2]=4 6440 B11R0.148 CC(O)CCNCCOCCO 2230a_100000211614_100012276601 [0,2,0,0,0,0|1,0,1]=4 6441 B11R0.148 CC(O)CCNCCOCCO 2230a_200000755665_100011215305 [0,2,0,0,0,0|1,0,1]=4 6442 B11R0.148 CC(O)CCNCCOCCO 34a_100000211614_100012276601 [0,2,0,0,0,0|1,0,1]=4 6443 B11R0.148 CC(O)CCNCCSCCO 2230a_100011219999_100012276601 [0,2,0,0,0,0|1,0,1]=4 6444 B11R0.148 CC(O)CCOCCCCCBr 34a_100000746331_100012276601 [0,2,0,0,0,0|1,0,1]=4 6445 B11R0.148 CC(O)CCOCCCCCBr 7a_100000746331_100012276601 [0,2,0,0,0,0|1,0,1]=4 6446 B11R0.148 CC(O)CCOCCCCCCl 34a_100000746330_100012276601 [0,2,0,0,0,0|1,0,1]=4 6447 B11R0.148 CC(O)CCOCCCCCCl 7a_100000746330_100012276601 [0,2,0,0,0,0|1,0,1]=4 6448 B11R0.148 CC(O)CCOCCCCCI 34a_200012148887_100012276601 [0,2,0,0,0,0|1,0,1]=4 6449 B11R0.148 CC(O)CCOCCCCCI 7a_200012148887_100012276601 [0,2,0,0,0,0|1,0,1]=4 6450 B11R0.148 CC(O)CCOCCCCCN 34a_100000762737_100012276601 [0,2,0,0,0,0|1,0,1]=4 6451 B11R0.148 CC(O)CCSCCCCCF 62a_100000729378_100012276601 [0,2,0,0,0,0|1,0,1]=4 6452 B11R0.148 CC(O)CCSCCCCCF 62a_100012276601_100000729378 [0,2,0,0,0,0|1,0,1]=4 6453 B11R0.148 CC(O)CCSCCCCCO 62a_100000746330_100012276601 [0,2,0,0,0,0|0,0,2]=4 6454 B11R0.148 CC(O)CCSCCCCCO 62a_100012276601_100000746330 [0,2,0,0,0,0|0,0,2]=4 6455 B11R0.148 CC(O)CCSCCOCCO 62a_100011215305_100012276601 [0,2,0,0,0,0|1,0,1]=4 6456 B11R0.148 CC(O)CCSCCOCCO 62a_100012276601_100011215305 [0,2,0,0,0,0|1,0,1]=4 6457 B11R0.148 CC(O)CNCCCCCCF 2230a_100000210904_100015922095 [0,2,0,0,0,0|1,0,1]=4 6458 B11R0.148 CC(O)CNCCCCCCF 34a_100000210904_100015922095 [0,2,0,0,0,0|1,0,1]=4 6459 B11R0.148 CC(O)CNCCCCCCO 2230a_100000210904_100000766143 [0,2,0,0,0,0|0,0,2]=4 6460 B11R0.148 CC(O)CNCCCCCCO 2230a_100000686447_100011218427 [0,2,0,0,0,0|0,0,2]=4 6461 B11R0.148 CC(O)CNCCCCCCO 34a_100000210904_100000766143 [0,2,0,0,0,0|0,0,2]=4 6462 B11R0.148 CC(O)CNCCCCCCO 34a_100000686447_100011218427 [0,2,0,0,0,0|0,0,2]=4 6463 B11R0.148 CC(O)CNN=CCCCCO 4a_200000730056_100000031955 [0,2,0,0,0,0|2,0,0]=4 6464 B11R0.148 CC(O)COCCCCCCBr 34a_100011215345_100011218427 [0,2,0,0,0,0|1,0,1]=4 6465 B11R0.148 CC(O)COCCCCCCBr 7a_100011215345_100011218427 [0,2,0,0,0,0|1,0,1]=4 6466 B11R0.148 CC(O)COCCCCCCCl 34a_100000766143_100011218427 [0,2,0,0,0,0|1,0,1]=4 6467 B11R0.148 CC(O)COCCCCCCCl 7a_100000766143_100011218427 [0,2,0,0,0,0|1,0,1]=4 6468 B11R0.148 CC(O)COCCCCCCF 34a_100000732779_100011218427 [0,2,0,0,0,0|1,0,1]=4 6469 B11R0.148 CC(O)COCCCCCCF 7a_100000732779_100011218427 [0,2,0,0,0,0|1,0,1]=4 6470 B11R0.148 CC(O)COCCCCCCN 34a_100000686447_100011218427 [0,2,0,0,0,0|1,0,1]=4 6471 B11R0.148 CC(O)CSCCCCCCF 62a_100011218427_100015922095 [0,2,0,0,0,0|1,0,1]=4 6472 B11R0.148 CC(O)CSCCCCCCF 62a_100015922095_100011218427 [0,2,0,0,0,0|1,0,1]=4 6473 B11R0.148 CC(O)CSCCCCCCO 62a_100000766143_100011218427 [0,2,0,0,0,0|0,0,2]=4 6474 B11R0.148 CC(O)CSCCCCCCO 62a_100011218427_100000766143 [0,2,0,0,0,0|0,0,2]=4 6475 B11R0.148 CCC/C=C/COCCC(=O)C 7a_100016278788_100000053229 [0,2,0,0,0,0|1,0,1]=4 6476 B11R0.148 CCC/C=C/COCCC(C)C 34a_100016278788_100000210312 [0,2,0,0,0,0|1,0,0]=3 6477 B11R0.148 CCC/C=C/COCCC(C)C 7a_100016278788_100000210626 [0,2,0,0,0,0|1,0,0]=3 6478 B11R0.148 CCC/C=C/COCCC(C)O 34a_100016278788_100012276601 [0,2,0,0,0,0|1,0,0]=3 6479 B11R0.148 CCC/C=C/COCCC(C)O 7a_100016278788_100012276601 [0,2,0,0,0,0|1,0,0]=3 6480 B11R0.148 CCC/C=C/COCCN(C)C 7a_100016278788_100000755713 [0,2,0,0,0,0|2,0,0]=4 6481 B11R0.148 CCC/C=C/COCOC(C)C 34a_100016278788_100000709892 [0,2,0,0,0,0|2,0,0]=4 6482 B11R0.148 CCCC/C=C/COCC(C)C 34a_200016272032_100000210624 [0,2,0,0,0,0|2,0,0]=4 6483 B11R0.148 CCCC/C=C/COCC(C)C 7a_200016272032_100000210760 [0,2,0,0,0,0|2,0,0]=4 6484 B11R0.148 CCCC/C=C/COCC(C)O 34a_200016272032_100011218427 [0,2,0,0,0,0|0,0,2]=4 6485 B11R0.148 CCCC/C=C/COCC(C)O 7a_200016272032_100011218427 [0,2,0,0,0,0|0,0,2]=4 6486 B11R0.148 CCCC/C=C/COC[C@@H](C)O 34a_200016272032_100009817552 [0,2,0,0,0,0|0,0,2]=4 6487 B11R0.148 CCCC/C=C/COC[C@@H](C)O 7a_200016272032_100009817552 [0,2,0,0,0,0|0,0,2]=4 6488 B11R0.148 CCCC/C=C\CCOC(C)C 34a_200016286491_100000210206 [0,2,0,0,0,0|2,0,0]=4 6489 B11R0.148 CCCC/C=C\CCOC(C)C 7a_200016286491_100000210206 [0,2,0,0,0,0|2,0,0]=4 6490 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [0,2,0,0,0,0|0,0,1]=3 6491 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [0,2,0,0,0,0|0,0,1]=3 6492 B11R0.148 CCCCC/C=C/COC(C)C 34a_100016258190_100000210206 [0,2,0,0,0,0|1,0,0]=3 6493 B11R0.148 CCCCC/C=C/COC(C)C 7a_100016258190_100000210206 [0,2,0,0,0,0|1,0,0]=3 6494 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [0,2,0,0,0,0|0,0,2]=4 6495 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [0,2,0,0,0,0|0,0,2]=4 6496 B11R0.148 CCCCCC=NNCC(C)O 4a_200000730056_100000737632 [0,2,0,0,0,0|1,0,0]=3 6497 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [0,2,0,0,0,0|0,0,2]=4 6498 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [0,2,0,0,0,0|0,0,2]=4 6499 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [0,2,0,0,0,0|0,0,2]=4 6500 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [0,2,0,0,0,0|0,0,2]=4 6501 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [0,2,0,0,0,0|0,0,2]=4 6502 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [0,2,0,0,0,0|0,0,2]=4 6503 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [0,2,0,0,0,0|0,0,2]=4 6504 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [0,2,0,0,0,0|0,0,2]=4 6505 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [0,2,0,0,0,0|0,0,2]=4 6506 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [0,2,0,0,0,0|0,0,2]=4 6507 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [0,2,0,0,0,0|0,0,2]=4 6508 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [0,2,0,0,0,0|0,0,2]=4 6509 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [0,2,0,0,0,0|0,0,2]=4 6510 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [0,2,0,0,0,0|0,0,2]=4 6511 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [0,2,0,0,0,0|0,0,2]=4 6512 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [0,2,0,0,0,0|0,0,2]=4 6513 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [0,2,0,0,0,0|0,0,2]=4 6514 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [0,2,0,0,0,0|0,0,2]=4 6515 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [0,2,0,0,0,0|0,0,2]=4 6516 B11R0.148 CCCCCNN=CCC(C)C 4a_100000694160_100000185833 [0,2,0,0,0,0|2,0,0]=4 6517 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [0,2,0,0,0,0|0,0,2]=4 6518 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [0,2,0,0,0,0|0,0,2]=4 6519 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [0,2,0,0,0,0|0,0,2]=4 6520 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [0,2,0,0,0,0|0,0,2]=4 6521 B11R0.148 CCCCOCCNCC(C)O 2230a_100000210904_100000743108 [0,2,0,0,0,0|1,0,1]=4 6522 B11R0.148 CCCCOCCNCC(C)O 34a_100000210904_100000743108 [0,2,0,0,0,0|1,0,1]=4 6523 B11R0.148 CCCCOCCOCC(C)O 34a_100000210238_100011218427 [0,2,0,0,0,0|1,0,1]=4 6524 B11R0.148 CCCCOCCOCC(C)O 7a_100000210238_100011218427 [0,2,0,0,0,0|1,0,1]=4 6525 B11R0.148 CCCCOCCOC[C@@H](C)O 34a_100000210238_100009817552 [0,2,0,0,0,0|1,0,1]=4 6526 B11R0.148 CCCCOCCOC[C@@H](C)O 7a_100000210238_100009817552 [0,2,0,0,0,0|1,0,1]=4 6527 B11R0.148 CCCCOCCSCC(C)O 62a_100000743108_100011218427 [0,2,0,0,0,0|1,0,1]=4 6528 B11R0.148 CCCCOCCSCC(C)O 62a_100011218427_100000743108 [0,2,0,0,0,0|1,0,1]=4 6529 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100000743108_100009817552 [0,2,0,0,0,0|1,0,1]=4 6530 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100009817552_100000743108 [0,2,0,0,0,0|1,0,1]=4 6531 B11R0.148 CCCCOCNCCC(C)O 2230a_200000755665_100011995733 [0,2,0,0,0,0|1,0,1]=4 6532 B11R0.148 CCCCOCSCCC(C)O 62a_100011995733_100012276601 [0,2,0,0,0,0|1,0,1]=4 6533 B11R0.148 CCCCOCSCCC(C)O 62a_100012276601_100011995733 [0,2,0,0,0,0|1,0,1]=4 6534 B11R0.148 CCCCSCCNCC(C)O 2230a_100025743550_100011218427 [0,2,0,0,0,0|1,0,1]=4 6535 B11R0.148 CCCCSCCNC[C@@H](C)O 2230a_100025743550_100009817552 [0,2,0,0,0,0|1,0,1]=4 6536 B11R0.148 CCCCSCCOCC(C)O 34a_200000230436_100011218427 [0,2,0,0,0,0|1,0,1]=4 6537 B11R0.148 CCCCSCCOCC(C)O 7a_200000230436_100011218427 [0,2,0,0,0,0|1,0,1]=4 6538 B11R0.148 CCCCSCCOC[C@@H](C)O 34a_200000230436_100009817552 [0,2,0,0,0,0|1,0,1]=4 6539 B11R0.148 CCCCSCCOC[C@@H](C)O 7a_200000230436_100009817552 [0,2,0,0,0,0|1,0,1]=4 6540 B11R0.148 CCCOCCCNCC(C)O 2230a_100011217757_100011218427 [0,2,0,0,0,0|1,0,1]=4 6541 B11R0.148 CCCOCCCNCC(C)O 34a_100011217757_100011218427 [0,2,0,0,0,0|1,0,1]=4 6542 B11R0.148 CCCOCCCNC[C@@H](C)O 2230a_100011217757_100009817552 [0,2,0,0,0,0|1,0,1]=4 6543 B11R0.148 CCCOCCCNC[C@@H](C)O 34a_100011217757_100009817552 [0,2,0,0,0,0|1,0,1]=4 6544 B11R0.148 CCCOCCNCCC(C)O 2230a_100161115042_100012276601 [0,2,0,0,0,0|1,0,1]=4 6545 B11R0.148 CCCOCCNCCC(C)O 2230a_200000755665_100011215938 [0,2,0,0,0,0|1,0,1]=4 6546 B11R0.148 CCCOCCNCCC(C)O 34a_100161115042_100012276601 [0,2,0,0,0,0|1,0,1]=4 6547 B11R0.148 CCCOCCOCCC(C)O 34a_100000752267_100012276601 [0,2,0,0,0,0|1,0,1]=4 6548 B11R0.148 CCCOCCOCCC(C)O 7a_100000752267_100012276601 [0,2,0,0,0,0|1,0,1]=4 6549 B11R0.148 CCCOCCSCCC(C)O 62a_100011215938_100012276601 [0,2,0,0,0,0|1,0,1]=4 6550 B11R0.148 CCCOCCSCCC(C)O 62a_100012276601_100011215938 [0,2,0,0,0,0|1,0,1]=4 6551 B11R0.148 CCCSCCNCCC(C)O 2230a_100020603323_100012276601 [0,2,0,0,0,0|1,0,1]=4 6552 B11R0.148 CCCSCCOCCC(C)O 34a_200000230433_100012276601 [0,2,0,0,0,0|1,0,1]=4 6553 B11R0.148 CCCSCCOCCC(C)O 7a_200000230433_100012276601 [0,2,0,0,0,0|1,0,1]=4 6554 B11R0.148 CCOCCCNCCC(C)O 2230a_100000210961_100012276601 [0,2,0,0,0,0|1,0,1]=4 6555 B11R0.148 CCOCCCNCCC(C)O 2230a_200000755665_100012232248 [0,2,0,0,0,0|1,0,1]=4 6556 B11R0.148 CCOCCCNCCC(C)O 34a_100000210961_100012276601 [0,2,0,0,0,0|1,0,1]=4 6557 B11R0.148 CCOCCCOCCC(C)O 34a_100000757476_100012276601 [0,2,0,0,0,0|1,0,1]=4 6558 B11R0.148 CCOCCCOCCC(C)O 7a_100000757476_100012276601 [0,2,0,0,0,0|1,0,1]=4 6559 B11R0.148 CCOCCCSCCC(C)O 62a_100012232248_100012276601 [0,2,0,0,0,0|1,0,1]=4 6560 B11R0.148 CCOCCCSCCC(C)O 62a_100012276601_100012232248 [0,2,0,0,0,0|1,0,1]=4 6561 B11R0.148 CCSCCCOCCC(C)O 34a_100011216438_100012276601 [0,2,0,0,0,0|1,0,1]=4 6562 B11R0.148 CCSCCCOCCC(C)O 7a_100011216438_100012276601 [0,2,0,0,0,0|1,0,1]=4 6563 B11R0.148 CN(C)CCCCCCCCO 2230a_100102631434_100000033203 [0,2,0,0,0,0|0,0,2]=4 6564 B11R0.148 CN(C)CCCCCCCCO 269982a_100102631434_100000033203 [0,2,0,0,0,0|0,0,2]=4 6565 B11R0.148 CN(C)CCCCSCCCO 62a_100011215043_100000690147 [0,2,0,0,0,0|1,0,1]=4 6566 B11R0.148 CNCCCCCOCC(C)O 34a_100000722520_100011218427 [0,2,0,0,0,0|1,0,1]=4 6567 B11R0.148 CNCCCCCOC[C@@H](C)O 34a_100000722520_100009817552 [0,2,0,0,0,0|1,0,1]=4 6568 B11R0.148 COCCCCCCCC(C)C 34a_200000210741_200000210301 [0,2,0,0,0,0|0,0,2]=4 6569 B11R0.148 COCCCCCCCC(C)C 7a_200000210741_200000210301 [0,2,0,0,0,0|0,0,2]=4 6570 B11R0.148 COCCCCCNCC(C)O 2230a_100000747528_100011218427 [0,2,0,0,0,0|1,0,1]=4 6571 B11R0.148 COCCCCCNCC(C)O 34a_100000747528_100011218427 [0,2,0,0,0,0|1,0,1]=4 6572 B11R0.148 COCCCCCNC[C@@H](C)O 2230a_100000747528_100009817552 [0,2,0,0,0,0|1,0,1]=4 6573 B11R0.148 COCCCCCNC[C@@H](C)O 34a_100000747528_100009817552 [0,2,0,0,0,0|1,0,1]=4 6574 B11R0.148 COCCCCNCCC(C)O 2230a_200000755665_100000730899 [0,2,0,0,0,0|1,0,1]=4 6575 B11R0.148 COCCCCOCCC(C)O 34a_100000740925_100012276601 [0,2,0,0,0,0|1,0,1]=4 6576 B11R0.148 COCCCCSCCC(C)O 62a_100000730899_100012276601 [0,2,0,0,0,0|1,0,1]=4 6577 B11R0.148 COCCCCSCCC(C)O 62a_100012276601_100000730899 [0,2,0,0,0,0|1,0,1]=4 6578 B11R0.148 COCCCNCCCC(C)C 2230a_200000737386_100000740836 [0,2,0,0,0,0|1,0,1]=4 6579 B11R0.148 COCCCNCCCC(C)C 34a_100150723488_100011214892 [0,2,0,0,0,0|1,0,1]=4 6580 B11R0.148 COCCCNCCCC(C)C 34a_200000737386_100000740836 [0,2,0,0,0,0|1,0,1]=4 6581 B11R0.148 COCCCNCCCC(C)O 34a_100150723488_200000718107 [0,2,0,0,0,0|1,0,1]=4 6582 B11R0.148 COCCCOCCCC(C)C 34a_100000210774_100000740836 [0,2,0,0,0,0|1,0,1]=4 6583 B11R0.148 COCCCOCCCC(C)C 34a_100000740835_100011214892 [0,2,0,0,0,0|1,0,1]=4 6584 B11R0.148 COCCCOCCCC(C)C 7a_100000210774_100000740836 [0,2,0,0,0,0|1,0,1]=4 6585 B11R0.148 COCCCOCCCC(C)O 34a_100000740835_200000718107 [0,2,0,0,0,0|1,0,1]=4 6586 B11R0.148 COCCCSCCCC(C)C 62a_100000709357_100011214892 [0,2,0,0,0,0|1,0,1]=4 6587 B11R0.148 COCCCSCCCC(C)C 62a_100011214892_100000709357 [0,2,0,0,0,0|1,0,1]=4 6588 B11R0.148 COCCCSCCCC(C)O 62a_100000709357_200000718107 [0,2,0,0,0,0|1,0,1]=4 6589 B11R0.148 COCCCSCCCC(C)O 62a_200000718107_100000709357 [0,2,0,0,0,0|1,0,1]=4 6590 B11R0.148 COCCNCCCCC(C)C 2230a_100000209980_100011216152 [0,2,0,0,0,0|1,0,1]=4 6591 B11R0.148 COCCOCCCCC(C)C 34a_100000210237_100011216152 [0,2,0,0,0,0|1,0,1]=4 6592 B11R0.148 COCCOCCCCC(C)C 34a_100011214890_100011201679 [0,2,0,0,0,0|1,0,1]=4 6593 B11R0.148 COCCOCCCCC(C)C 7a_100011214890_100000233755 [0,2,0,0,0,0|1,0,1]=4 6594 B11R0.148 COCCSCCCCC(C)C 62a_100000233755_100011216152 [0,2,0,0,0,0|1,0,1]=4 6595 B11R0.148 COCCSCCCCC(C)C 62a_100011216152_100000233755 [0,2,0,0,0,0|1,0,1]=4 6596 B11R0.148 CSCCCCOCCC(C)O 34a_100011217163_100012276601 [0,2,0,0,0,0|1,0,1]=4 6597 B11R0.148 CSCCCCOCCC(C)O 7a_100011217163_100012276601 [0,2,0,0,0,0|1,0,1]=4 6598 B11R0.148 C[C@@H](Cl)COCCCCCCO 34a_100016084084_100000766143 [0,2,0,0,0,0|0,0,2]=4 6599 B11R0.148 C[C@@H](N)CCOCCCCCO 34a_100000706166_100000746330 [0,2,0,0,0,0|0,0,2]=4 6600 B11R0.148 C[C@@H](N)CCOCCOCCO 34a_100000706166_100000692535 [0,2,0,0,0,0|1,0,1]=4 6601 B11R0.148 C[C@@H](N)COCCCCCCO 34a_100000737577_100000766143 [0,2,0,0,0,0|0,0,2]=4 6602 B11R0.148 C[C@@H](O)CNCCCCCCO 2230a_100000686447_100009817552 [0,2,0,0,0,0|0,0,2]=4 6603 B11R0.148 C[C@@H](O)CNCCCCCCO 34a_100000686447_100009817552 [0,2,0,0,0,0|0,0,2]=4 6604 B11R0.148 C[C@@H](O)COCCCCCCBr 34a_100011215345_100009817552 [0,2,0,0,0,0|1,0,1]=4 6605 B11R0.148 C[C@@H](O)COCCCCCCBr 7a_100011215345_100009817552 [0,2,0,0,0,0|1,0,1]=4 6606 B11R0.148 C[C@@H](O)COCCCCCCCl 34a_100000766143_100009817552 [0,2,0,0,0,0|1,0,1]=4 6607 B11R0.148 C[C@@H](O)COCCCCCCCl 7a_100000766143_100009817552 [0,2,0,0,0,0|1,0,1]=4 6608 B11R0.148 C[C@@H](O)COCCCCCCF 34a_100000732779_100009817552 [0,2,0,0,0,0|1,0,1]=4 6609 B11R0.148 C[C@@H](O)COCCCCCCF 7a_100000732779_100009817552 [0,2,0,0,0,0|1,0,1]=4 6610 B11R0.148 C[C@@H](O)COCCCCCCN 34a_100000686447_100009817552 [0,2,0,0,0,0|1,0,1]=4 6611 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100009817552_100015922095 [0,2,0,0,0,0|1,0,1]=4 6612 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100015922095_100009817552 [0,2,0,0,0,0|1,0,1]=4 6613 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100000766143_100009817552 [0,2,0,0,0,0|0,0,2]=4 6614 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100009817552_100000766143 [0,2,0,0,0,0|0,0,2]=4 6615 B11R0.159 CC(C)(O)CCCSCCCO 62a_100009888830_100011215043 [0,2,0,0,0,0|1,0,1]=4 6616 B11R0.159 CC(C)(O)CCCSCCCO 62a_100011215043_100009888830 [0,2,0,0,0,0|1,0,1]=4 6617 B11R0.159 CCC/C=C/COCC(C)(C)C 34a_100016278788_100011219605 [0,2,0,0,0,0|2,0,0]=4 6618 B11R0.159 CCC/C=C/COCC(C)(C)F 34a_100016278788_100011997219 [0,2,0,0,0,0|2,0,0]=4 6619 B11R0.159 CCC/C=C/COCC(C)(C)O 34a_100016278788_100000764493 [0,2,0,0,0,0|2,0,0]=4 6620 B11R0.159 CCC/C=C/COCC(C)(C)O 7a_100016278788_100000764493 [0,2,0,0,0,0|2,0,0]=4 6621 B11R0.159 CCCCCCNCC(C)(C)O 2230a_100000751335_100000210314 [0,2,0,0,0,0|1,0,1]=4 6622 B11R0.159 CCCCCCOCC(C)(C)O 34a_100000210259_100000764493 [0,2,0,0,0,0|1,0,1]=4 6623 B11R0.159 CCCCCCOCC(C)(C)O 7a_100000210259_100000764493 [0,2,0,0,0,0|1,0,1]=4 6624 B11R0.159 CCCCCCSCC(C)(C)O 62a_100000210314_100000764493 [0,2,0,0,0,0|1,0,1]=4 6625 B11R0.159 CCCCCCSCC(C)(C)O 62a_100000764493_100000210757 [0,2,0,0,0,0|1,0,1]=4 6626 B11R0.159 CCCCCNCCC(C)(C)O 2230a_100000209983_100000702414 [0,2,0,0,0,0|1,0,1]=4 6627 B11R0.159 CCCCCOCCC(C)(C)O 34a_100000210253_100000702414 [0,2,0,0,0,0|1,0,1]=4 6628 B11R0.159 CCCCCOCCC(C)(C)O 7a_100000210253_100000702414 [0,2,0,0,0,0|1,0,1]=4 6629 B11R0.159 CCCCCSCCC(C)(C)O 62a_100000210326_100000702414 [0,2,0,0,0,0|1,0,1]=4 6630 B11R0.159 CCCCCSCCC(C)(C)O 62a_100000702414_100000210326 [0,2,0,0,0,0|1,0,1]=4 6631 B11R0.3 C#CCCC=NNCCCCC 4a_100000694160_100011713443 [0,2,0,0,0,0|2,0,0]=4 6632 B11R0.3 C#CCCCCCCNCCO 2230a_100016997473_100012276617 [0,2,0,0,0,0|1,0,1]=4 6633 B11R0.3 C#CCCCCCCNCCO 34a_100016990907_100012276617 [0,2,0,0,0,0|1,0,1]=4 6634 B11R0.3 C#CCCCCCCOCCO 34a_100011217361_100000211926 [0,2,0,0,0,0|1,0,1]=4 6635 B11R0.3 C#CCCCCCCOCCO 7a_100011217361_100000211926 [0,2,0,0,0,0|1,0,1]=4 6636 B11R0.3 C#CCCCCCCSCCO 62a_100000211926_100012276617 [0,2,0,0,0,0|1,0,1]=4 6637 B11R0.3 C#CCCCCCCSCCO 62a_100012276617_100000211926 [0,2,0,0,0,0|1,0,1]=4 6638 B11R0.3 C#CCCCCCOCCCO 34a_100000766912_100000230001 [0,2,0,0,0,0|1,0,1]=4 6639 B11R0.3 C#CCCCCCOCCCO 7a_100000766912_100011215043 [0,2,0,0,0,0|1,0,1]=4 6640 B11R0.3 C#CCCCCCSCCCO 62a_100011215043_100012094781 [0,2,0,0,0,0|1,0,1]=4 6641 B11R0.3 C#CCCCCCSCCCO 62a_100012094781_100011215043 [0,2,0,0,0,0|1,0,1]=4 6642 B11R0.3 C#CCCCOC/C=C/CCC 34a_100016278788_100000695029 [0,2,0,0,0,0|1,0,1]=4 6643 B11R0.3 C#CCCCOC/C=C/CCC 7a_100016278788_100011215417 [0,2,0,0,0,0|1,0,1]=4 6644 B11R0.3 C#CCOC/C=C/CCCCC 34a_100016258190_100000184674 [0,2,0,0,0,0|1,0,0]=3 6645 B11R0.3 C#CCOC/C=C/CCCCC 7a_100016258190_100000038162 [0,2,0,0,0,0|1,0,0]=3 6646 B11R0.3 C=CCCC/C=C/COCCC 34a_200016268473_100000210303 [0,2,0,0,0,0|2,0,0]=4 6647 B11R0.3 C=CCCC/C=C/COCCC 7a_200016268473_100000210303 [0,2,0,0,0,0|2,0,0]=4 6648 B11R0.3 C=CCCC/C=C/COCCO 34a_200016268473_100000211926 [0,2,0,0,0,0|0,0,2]=4 6649 B11R0.3 C=CCCC/C=C/COCCO 7a_200016268473_100000211926 [0,2,0,0,0,0|0,0,2]=4 6650 B11R0.3 C=CCCC=NNCCCCC 4a_100000694160_100011216789 [0,2,0,0,0,0|2,0,0]=4 6651 B11R0.3 C=CCCCCCCNCCO 2230a_100016997473_100011215473 [0,2,0,0,0,0|1,0,1]=4 6652 B11R0.3 C=CCCCCCCNCCO 34a_100016990907_100011215473 [0,2,0,0,0,0|1,0,1]=4 6653 B11R0.3 C=CCCCCCCOCCO 34a_200011216477_100000211926 [0,2,0,0,0,0|1,0,1]=4 6654 B11R0.3 C=CCCCCCCOCCO 7a_200011216477_100000211926 [0,2,0,0,0,0|1,0,1]=4 6655 B11R0.3 C=CCCCCCCSCCO 62a_100000211926_100011215473 [0,2,0,0,0,0|1,0,1]=4 6656 B11R0.3 C=CCCCCCCSCCO 62a_100011215473_100000211926 [0,2,0,0,0,0|1,0,1]=4 6657 B11R0.3 C=CCCCCCOCCCO 34a_100011216702_100000230001 [0,2,0,0,0,0|1,0,1]=4 6658 B11R0.3 C=CCCCCCOCCCO 7a_100011216702_100011215043 [0,2,0,0,0,0|1,0,1]=4 6659 B11R0.3 C=CCCCCCSCCCO 62a_100000700193_100011215043 [0,2,0,0,0,0|1,0,1]=4 6660 B11R0.3 C=CCCCCCSCCCO 62a_100011215043_100000700193 [0,2,0,0,0,0|1,0,1]=4 6661 B11R0.3 C=CCCCOC/C=C/CCC 34a_100016278788_100000757094 [0,2,0,0,0,0|1,0,1]=4 6662 B11R0.3 C=CCCCOC/C=C/CCC 7a_100016278788_100000757094 [0,2,0,0,0,0|1,0,1]=4 6663 B11R0.3 C=CCOC/C=C/CCCCC 34a_100016258190_100015514636 [0,2,0,0,0,0|1,0,0]=3 6664 B11R0.3 C=CCOC/C=C/CCCCC 7a_100016258190_100015514636 [0,2,0,0,0,0|1,0,0]=3 6665 B11R0.3 C=COCCCNCCCCC 2230a_100000210767_100000210326 [0,2,0,0,0,0|1,0,1]=4 6666 B11R0.3 C=COCCCNCCCCC 34a_100000210767_100000718602 [0,2,0,0,0,0|1,0,1]=4 6667 B11R0.3 C=COCCNCCCCCC 2230a_100000210581_100000039644 [0,2,0,0,0,0|1,0,1]=4 6668 B11R0.3 C=COCCOCCCCCC 34a_100000033082_100000210314 [0,2,0,0,0,0|1,0,1]=4 6669 B11R0.3 C=COCCOCCCCCC 34a_100000210259_100000039644 [0,2,0,0,0,0|1,0,1]=4 6670 B11R0.3 C=COCCOCCCCCC 7a_100000210259_100000039644 [0,2,0,0,0,0|1,0,1]=4 6671 B11R0.3 C=COCCSCCCCCC 62a_100000039644_100000210757 [0,2,0,0,0,0|1,0,1]=4 6672 B11R0.3 C=COCCSCCCCCC 62a_100000210314_100000039644 [0,2,0,0,0,0|1,0,1]=4 6673 B11R0.3 CC/C=C/C/C=C/CCOCC 34a_200016273837_100000210202 [0,2,0,0,0,0|0,0,2]=4 6674 B11R0.3 CC/C=C/C/C=C/CCOCC 7a_200016273837_100000210202 [0,2,0,0,0,0|0,0,2]=4 6675 B11R0.3 CC/C=C/C/C=C/CCOCF 34a_200016273837_100015361967 [0,2,0,0,0,0|0,0,2]=4 6676 B11R0.3 CC/C=C/C/C=C/CCOCF 7a_200016273837_100015361967 [0,2,0,0,0,0|0,0,2]=4 6677 B11R0.3 CC/C=C/CC/C=C/COCC 34a_100016264143_100000210202 [0,2,0,0,0,0|1,0,1]=4 6678 B11R0.3 CC/C=C/CC/C=C/COCC 7a_100016264143_100000210202 [0,2,0,0,0,0|1,0,1]=4 6679 B11R0.3 CC/C=C/CC/C=C/COCF 34a_100016264143_100015361967 [0,2,0,0,0,0|1,0,1]=4 6680 B11R0.3 CC/C=C/CC/C=C/COCF 7a_100016264143_100015361967 [0,2,0,0,0,0|1,0,1]=4 6681 B11R0.3 CC/C=C/CCCOCCCO 34a_100016287902_100000230001 [0,2,0,0,0,0|1,0,1]=4 6682 B11R0.3 CC/C=C/CCCOCCCO 7a_100016287902_100011215043 [0,2,0,0,0,0|1,0,1]=4 6683 B11R0.3 CC/C=C\CCC=NNCCO 4a_100000210001_100016279218 [0,2,0,0,0,0|1,0,1]=4 6684 B11R0.3 CC/C=C\CCCCOCCO 34a_100016287862_100000211926 [0,2,0,0,0,0|1,0,1]=4 6685 B11R0.3 CC/C=C\CCCCOCCO 7a_100016287862_100000211926 [0,2,0,0,0,0|1,0,1]=4 6686 B11R0.3 CC/C=C\COC/C=C/CCC 34a_100016278788_100103147603 [0,2,0,0,0,0|1,0,1]=4 6687 B11R0.3 CC/C=C\COC/C=C/CCC 7a_100016278788_100103147603 [0,2,0,0,0,0|1,0,1]=4 6688 B11R0.3 CCC#CCOC/C=C/CCC 34a_100016278788_100009813939 [0,2,0,0,0,0|1,0,1]=4 6689 B11R0.3 CCC#CCOC/C=C/CCC 7a_100016278788_100009813939 [0,2,0,0,0,0|1,0,1]=4 6690 B11R0.3 CCC/C=C/C=C/COCCC 34a_100016294078_100000210303 [0,2,0,0,0,0|1,0,1]=4 6691 B11R0.3 CCC/C=C/C=C/COCCO 34a_100016294078_100000211926 [0,2,0,0,0,0|0,0,2]=4 6692 B11R0.3 CCC/C=C/COCCCC#N 7a_100016278788_100000687738 [0,2,0,0,0,0|1,0,1]=4 6693 B11R0.3 CCC/C=C/COCCCC=O 7a_100016278788_200011292268 [0,2,0,0,0,0|1,0,1]=4 6694 B11R0.3 CCC/C=C/COCCCCC 34a_100016278788_100000718602 [0,2,0,0,0,0|1,0,0]=3 6695 B11R0.3 CCC/C=C/COCCCCC 7a_100016278788_100000210326 [0,2,0,0,0,0|1,0,0]=3 6696 B11R0.3 CCC/C=C/COCCCCF 34a_100016278788_100000729493 [0,2,0,0,0,0|1,0,0]=3 6697 B11R0.3 CCC/C=C/COCCCCF 7a_100016278788_100000729493 [0,2,0,0,0,0|1,0,0]=3 6698 B11R0.3 CCC/C=C/COCCCCO 34a_100016278788_100011216708 [0,2,0,0,0,0|1,0,0]=3 6699 B11R0.3 CCC/C=C/COCCCCO 7a_100016278788_100000210776 [0,2,0,0,0,0|1,0,0]=3 6700 B11R0.3 CCC/C=C/COCCCOC 34a_100016278788_100000740836 [0,2,0,0,0,0|1,0,0]=3 6701 B11R0.3 CCC/C=C/COCCCOC 7a_100016278788_100000740836 [0,2,0,0,0,0|1,0,0]=3 6702 B11R0.3 CCC/C=C/COCCOCC 34a_100016278788_100000210147 [0,2,0,0,0,0|1,0,0]=3 6703 B11R0.3 CCC/C=C/COCCOCC 7a_100016278788_100011215890 [0,2,0,0,0,0|1,0,0]=3 6704 B11R0.3 CCC/C=C/COCCSCC 34a_100016278788_100000757381 [0,2,0,0,0,0|1,0,0]=3 6705 B11R0.3 CCC/C=C/COCCSCC 7a_100016278788_100000757381 [0,2,0,0,0,0|1,0,0]=3 6706 B11R0.3 CCC=CC=NNCCCCC 4a_100000694160_100011216943 [0,2,0,0,0,0|1,0,1]=4 6707 B11R0.3 CCCC#CCCOCCCO 34a_100000042726_100000230001 [0,2,0,0,0,0|1,0,1]=4 6708 B11R0.3 CCCC#CCCOCCCO 7a_100000042726_100011215043 [0,2,0,0,0,0|1,0,1]=4 6709 B11R0.3 CCCC/C=C/CCCCOC 34a_200020645093_200000210301 [0,2,0,0,0,0|1,0,0]=3 6710 B11R0.3 CCCC/C=C/CCCCOC 7a_200020645093_200000210301 [0,2,0,0,0,0|1,0,0]=3 6711 B11R0.3 CCCC/C=C/CCCCO[13CH3] 34a_200020645093_200025704644 [0,2,0,0,0,0|1,0,0]=3 6712 B11R0.3 CCCC/C=C/CCCCO[13CH3] 7a_200020645093_200025704644 [0,2,0,0,0,0|1,0,0]=3 6713 B11R0.3 CCCC/C=C/COCCCC 34a_200016272032_100000210210 [0,2,0,0,0,0|1,0,0]=3 6714 B11R0.3 CCCC/C=C/COCCCC 7a_200016272032_100000210211 [0,2,0,0,0,0|1,0,0]=3 6715 B11R0.3 CCCC/C=C/COCCCF 34a_200016272032_100011934791 [0,2,0,0,0,0|2,0,0]=4 6716 B11R0.3 CCCC/C=C/COCCCF 7a_200016272032_100011934791 [0,2,0,0,0,0|2,0,0]=4 6717 B11R0.3 CCCC/C=C/COCCCO 34a_200016272032_100000230001 [0,2,0,0,0,0|0,0,2]=4 6718 B11R0.3 CCCC/C=C/COCCCO 7a_200016272032_100011215043 [0,2,0,0,0,0|0,0,2]=4 6719 B11R0.3 CCCC/C=C/COCCOC 34a_200016272032_100011201679 [0,2,0,0,0,0|0,0,2]=4 6720 B11R0.3 CCCC/C=C/COCCOC 7a_200016272032_100000233755 [0,2,0,0,0,0|0,0,2]=4 6721 B11R0.3 CCCC/C=C/COCCSC 34a_200016272032_100000212216 [0,2,0,0,0,0|2,0,0]=4 6722 B11R0.3 CCCC/C=C/COCCSC 7a_200016272032_100000212216 [0,2,0,0,0,0|2,0,0]=4 6723 B11R0.3 CCCC/C=C\CCOCCC 34a_200016286491_100000210303 [0,2,0,0,0,0|1,0,0]=3 6724 B11R0.3 CCCC/C=C\CCOCCC 7a_200016286491_100000210303 [0,2,0,0,0,0|1,0,0]=3 6725 B11R0.3 CCCC/C=C\CCOCCF 34a_200016286491_100011217306 [0,2,0,0,0,0|2,0,0]=4 6726 B11R0.3 CCCC/C=C\CCOCCF 7a_200016286491_100011217306 [0,2,0,0,0,0|2,0,0]=4 6727 B11R0.3 CCCC/C=C\CCOCCO 34a_200016286491_100000211926 [0,2,0,0,0,0|0,0,2]=4 6728 B11R0.3 CCCC/C=C\CCOCCO 7a_200016286491_100000211926 [0,2,0,0,0,0|0,0,2]=4 6729 B11R0.3 CCCC/C=C\CCOCSC 34a_200016286491_100011218213 [0,2,0,0,0,0|2,0,0]=4 6730 B11R0.3 CCCC=CC=NNCCCC 4a_100025702795_100016266791 [0,2,0,0,0,0|1,0,1]=4 6731 B11R0.3 CCCCC#CCCOCCO 34a_100000037610_100000211926 [0,2,0,0,0,0|1,0,1]=4 6732 B11R0.3 CCCCC#CCCOCCO 7a_100000037610_100000211926 [0,2,0,0,0,0|1,0,1]=4 6733 B11R0.3 CCCCC#CCOCCCO 34a_200000034558_100000230001 [0,2,0,0,0,0|1,0,1]=4 6734 B11R0.3 CCCCC#CCOCCCO 7a_200000034558_100011215043 [0,2,0,0,0,0|1,0,1]=4 6735 B11R0.3 CCCCC/C=C/C=C/COC 34a_200014065772_200000210301 [0,2,0,0,0,0|0,0,1]=3 6736 B11R0.3 CCCCC/C=C/C=C/COC 7a_200014065772_200000210301 [0,2,0,0,0,0|0,0,1]=3 6737 B11R0.3 CCCCC/C=C/C=C/CO[13CH3] 34a_200014065772_200025704644 [0,2,0,0,0,0|0,0,1]=3 6738 B11R0.3 CCCCC/C=C/C=C/CO[13CH3] 7a_200014065772_200025704644 [0,2,0,0,0,0|0,0,1]=3 6739 B11R0.3 CCCCC/C=C/COCC#N 7a_100016258190_100011215382 [0,2,0,0,0,0|1,0,0]=3 6740 B11R0.3 CCCCC/C=C/COCC=O 34a_100016258190_200009817547 [0,2,0,0,0,0|0,0,1]=3 6741 B11R0.3 CCCCC/C=C/COCC=O 7a_100016258190_200015260668 [0,2,0,0,0,0|0,0,1]=3 6742 B11R0.3 CCCCC/C=C/COCCC 34a_100016258190_100000210303 [0,2,0,0,0,0|1,0,0]=3 6743 B11R0.3 CCCCC/C=C/COCCC 7a_100016258190_100000210303 [0,2,0,0,0,0|1,0,0]=3 6744 B11R0.3 CCCCC/C=C/COCCF 34a_100016258190_100011217306 [0,2,0,0,0,0|1,0,0]=3 6745 B11R0.3 CCCCC/C=C/COCCF 7a_100016258190_100011217306 [0,2,0,0,0,0|1,0,0]=3 6746 B11R0.3 CCCCC/C=C/COCCO 34a_100016258190_100000211926 [0,2,0,0,0,0|0,0,0]=2 6747 B11R0.3 CCCCC/C=C/COCCO 7a_100016258190_100000211926 [0,2,0,0,0,0|0,0,0]=2 6748 B11R0.3 CCCCC/C=C/COCSC 34a_100016258190_100011218213 [0,2,0,0,0,0|0,1,0]=3 6749 B11R0.3 CCCCC/C=C\CCCOC 34a_100020655193_200000210301 [0,2,0,0,0,0|0,0,0]=2 6750 B11R0.3 CCCCC/C=C\CCCOC 7a_100020655193_200000210301 [0,2,0,0,0,0|0,0,0]=2 6751 B11R0.3 CCCCC/C=C\CCCO[13CH3] 34a_100020655193_200025704644 [0,2,0,0,0,0|0,0,0]=2 6752 B11R0.3 CCCCC/C=C\CCCO[13CH3] 7a_100020655193_200025704644 [0,2,0,0,0,0|0,0,0]=2 6753 B11R0.3 CCCCC/C=C\CCOCC 34a_100016277358_100000210202 [0,2,0,0,0,0|0,0,0]=2 6754 B11R0.3 CCCCC/C=C\CCOCC 7a_100016277358_100000210202 [0,2,0,0,0,0|0,0,0]=2 6755 B11R0.3 CCCCC/C=C\CCOCF 34a_100016277358_100015361967 [0,2,0,0,0,0|0,0,0]=2 6756 B11R0.3 CCCCC/C=C\CCOCF 7a_100016277358_100015361967 [0,2,0,0,0,0|0,0,0]=2 6757 B11R0.3 CCCCC=CC=NNCCC 4a_100000740057_100016268198 [0,2,0,0,0,0|1,0,1]=4 6758 B11R0.3 CCCCC=CC=NNCCO 4a_100000210001_100016268198 [0,2,0,0,0,0|0,0,1]=3 6759 B11R0.3 CCCCC=NNCCCCC 4a_100000694160_100000210104 [0,2,0,0,0,0|1,0,1]=4 6760 B11R0.3 CCCCCC#CCCOCC 34a_200000042877_100000210202 [0,2,0,0,0,0|0,0,2]=4 6761 B11R0.3 CCCCCC#CCCOCC 7a_200000042877_100000210202 [0,2,0,0,0,0|0,0,2]=4 6762 B11R0.3 CCCCCC#CCCOCF 34a_200000042877_100015361967 [0,2,0,0,0,0|0,0,2]=4 6763 B11R0.3 CCCCCC#CCCOCF 7a_200000042877_100015361967 [0,2,0,0,0,0|0,0,2]=4 6764 B11R0.3 CCCCCC#CCNCCO 2230a_100016997473_100009816472 [0,2,0,0,0,0|0,0,2]=4 6765 B11R0.3 CCCCCC#CCNCCO 34a_100016990907_100009816472 [0,2,0,0,0,0|0,0,2]=4 6766 B11R0.3 CCCCCC#CCOCCO 34a_200000033628_100000211926 [0,2,0,0,0,0|0,0,2]=4 6767 B11R0.3 CCCCCC#CCOCCO 7a_200000033628_100000211926 [0,2,0,0,0,0|0,0,2]=4 6768 B11R0.3 CCCCCC#CCSCCO 62a_100000211926_100009816472 [0,2,0,0,0,0|0,0,2]=4 6769 B11R0.3 CCCCCC#CCSCCO 62a_100009816472_100000211926 [0,2,0,0,0,0|0,0,2]=4 6770 B11R0.3 CCCCCC#CCSCOC 62a_100000766300_100009816472 [0,2,0,0,0,0|0,0,2]=4 6771 B11R0.3 CCCCCC#CCSCOC 62a_100009816472_100000766300 [0,2,0,0,0,0|0,0,2]=4 6772 B11R0.3 CCCCCC/C=C/COCC 34a_200016276170_100000210202 [0,2,0,0,0,0|1,0,0]=3 6773 B11R0.3 CCCCCC/C=C/COCC 7a_200016276170_100000210202 [0,2,0,0,0,0|1,0,0]=3 6774 B11R0.3 CCCCCC/C=C/COCF 34a_200016276170_100015361967 [0,2,0,0,0,0|1,0,0]=3 6775 B11R0.3 CCCCCC/C=C/COCF 7a_200016276170_100015361967 [0,2,0,0,0,0|1,0,0]=3 6776 B11R0.3 CCCCCC=CC=NNCC 4a_100000756455_100016268540 [0,2,0,0,0,0|1,0,1]=4 6777 B11R0.3 CCCCCC=NNCCC#N 4a_100000229987_100000737632 [0,2,0,0,0,0|2,0,0]=4 6778 B11R0.3 CCCCCC=NNCCCC 4a_100025702795_100000737632 [0,2,0,0,0,0|1,0,1]=4 6779 B11R0.3 CCCCCCC#CCCOC 34a_200000033163_200000210301 [0,2,0,0,0,0|0,0,2]=4 6780 B11R0.3 CCCCCCC#CCCOC 7a_200000033163_200000210301 [0,2,0,0,0,0|0,0,2]=4 6781 B11R0.3 CCCCCCC#CCCO[13CH3] 34a_200000033163_200025704644 [0,2,0,0,0,0|0,0,2]=4 6782 B11R0.3 CCCCCCC#CCCO[13CH3] 7a_200000033163_200025704644 [0,2,0,0,0,0|0,0,2]=4 6783 B11R0.3 CCCCCCC=NNCCC 4a_100000740057_100000234349 [0,2,0,0,0,0|1,0,1]=4 6784 B11R0.3 CCCCCCC=NNCCO 4a_100000210001_100000234349 [0,2,0,0,0,0|0,0,1]=3 6785 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [0,2,0,0,0,0|0,0,2]=4 6786 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [0,2,0,0,0,0|0,0,2]=4 6787 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [0,2,0,0,0,0|0,0,2]=4 6788 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [0,2,0,0,0,0|0,0,2]=4 6789 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [0,2,0,0,0,0|0,0,2]=4 6790 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [0,2,0,0,0,0|0,0,2]=4 6791 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [0,2,0,0,0,0|0,0,2]=4 6792 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [0,2,0,0,0,0|0,0,2]=4 6793 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [0,2,0,0,0,0|0,0,2]=4 6794 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [0,2,0,0,0,0|0,0,2]=4 6795 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [0,2,0,0,0,0|0,0,2]=4 6796 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [0,2,0,0,0,0|0,0,2]=4 6797 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [0,2,0,0,0,0|0,0,2]=4 6798 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [0,2,0,0,0,0|0,0,2]=4 6799 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [0,2,0,0,0,0|0,0,2]=4 6800 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [0,2,0,0,0,0|0,0,2]=4 6801 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [0,2,0,0,0,0|0,0,2]=4 6802 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [0,2,0,0,0,0|0,0,2]=4 6803 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [0,2,0,0,0,0|0,0,2]=4 6804 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [0,2,0,0,0,0|0,0,2]=4 6805 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [0,2,0,0,0,0|0,0,2]=4 6806 B11R0.3 CCCCCCCNCCCO 2230a_100000229938_100000230001 [0,2,0,0,0,0|0,0,2]=4 6807 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [0,2,0,0,0,0|0,0,2]=4 6808 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [0,2,0,0,0,0|0,0,2]=4 6809 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [0,2,0,0,0,0|0,0,2]=4 6810 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [0,2,0,0,0,0|0,0,2]=4 6811 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [0,2,0,0,0,0|0,0,2]=4 6812 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [0,2,0,0,0,0|0,0,2]=4 6813 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [0,2,0,0,0,0|0,0,2]=4 6814 B11R0.3 CCCCCCCOCCON 34a_100000700252_100000210614 [0,2,0,0,0,0|0,0,2]=4 6815 B11R0.3 CCCCCCCSCCCO 62a_100000210614_100011215043 [0,2,0,0,0,0|0,0,2]=4 6816 B11R0.3 CCCCCCCSCCCO 62a_100011215043_100000210316 [0,2,0,0,0,0|0,0,2]=4 6817 B11R0.3 CCCCCCCSCCOC 62a_100000210614_100000233755 [0,2,0,0,0,0|0,0,2]=4 6818 B11R0.3 CCCCCCCSCCOC 62a_100000233755_100000210316 [0,2,0,0,0,0|0,0,2]=4 6819 B11R0.3 CCCCCCNCC#CCO 2230a_100000210581_200000047223 [0,2,0,0,0,0|1,0,1]=4 6820 B11R0.3 CCCCCCNCCCCO 2230a_100000210581_100000210776 [0,2,0,0,0,0|0,0,2]=4 6821 B11R0.3 CCCCCCNCCCCO 2230a_100000750430_100000210314 [0,2,0,0,0,0|0,0,2]=4 6822 B11R0.3 CCCCCCNCCCCO 34a_100000750430_100000210314 [0,2,0,0,0,0|0,0,2]=4 6823 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [0,2,0,0,0,0|0,0,2]=4 6824 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [0,2,0,0,0,0|0,0,2]=4 6825 B11R0.3 CCCCCCNCCOCC 2230a_100000210581_100011215890 [0,2,0,0,0,0|1,0,1]=4 6826 B11R0.3 CCCCCCNCCOCC 2230a_102516460346_100000210314 [0,2,0,0,0,0|1,0,1]=4 6827 B11R0.3 CCCCCCNCCOCC 34a_102516460346_100000210314 [0,2,0,0,0,0|1,0,1]=4 6828 B11R0.3 CCCCCCOCC#CCO 34a_100000210259_200000047223 [0,2,0,0,0,0|1,0,1]=4 6829 B11R0.3 CCCCCCOCC#CCO 7a_100000210259_200000047223 [0,2,0,0,0,0|1,0,1]=4 6830 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [0,2,0,0,0,0|0,0,2]=4 6831 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [0,2,0,0,0,0|0,0,2]=4 6832 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [0,2,0,0,0,0|0,0,2]=4 6833 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [0,2,0,0,0,0|0,0,2]=4 6834 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [0,2,0,0,0,0|0,0,2]=4 6835 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [0,2,0,0,0,0|1,0,1]=4 6836 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [0,2,0,0,0,0|1,0,1]=4 6837 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [0,2,0,0,0,0|1,0,1]=4 6838 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [0,2,0,0,0,0|1,0,1]=4 6839 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [0,2,0,0,0,0|1,0,1]=4 6840 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [0,2,0,0,0,0|1,0,1]=4 6841 B11R0.3 CCCCCCOCCOCF 34a_100000691444_100015361967 [0,2,0,0,0,0|1,0,1]=4 6842 B11R0.3 CCCCCCOCCOCF 7a_100000691444_100015361967 [0,2,0,0,0,0|1,0,1]=4 6843 B11R0.3 CCCCCCSCC#CCO 62a_100000210314_200000047223 [0,2,0,0,0,0|1,0,1]=4 6844 B11R0.3 CCCCCCSCC#CCO 62a_200000047223_100000210757 [0,2,0,0,0,0|1,0,1]=4 6845 B11R0.3 CCCCCCSCCCCO 62a_100000210314_100000210776 [0,2,0,0,0,0|0,0,2]=4 6846 B11R0.3 CCCCCCSCCCCO 62a_100000210776_100000210757 [0,2,0,0,0,0|0,0,2]=4 6847 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [0,2,0,0,0,0|0,0,2]=4 6848 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [0,2,0,0,0,0|0,0,2]=4 6849 B11R0.3 CCCCCCSCCOCC 62a_100000210147_100000210757 [0,2,0,0,0,0|1,0,1]=4 6850 B11R0.3 CCCCCCSCCOCC 62a_100000210314_100011215890 [0,2,0,0,0,0|1,0,1]=4 6851 B11R0.3 CCCCCNCCCCCO 2230a_100000209983_100000746330 [0,2,0,0,0,0|0,0,2]=4 6852 B11R0.3 CCCCCNCCCCCO 2230a_100000762737_100000210326 [0,2,0,0,0,0|0,0,2]=4 6853 B11R0.3 CCCCCNCCCCCO 34a_100000762737_100000718602 [0,2,0,0,0,0|0,0,2]=4 6854 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [0,2,0,0,0,0|0,0,2]=4 6855 B11R0.3 CCCCCNCCCOCC 2230a_100000209983_100012232248 [0,2,0,0,0,0|1,0,1]=4 6856 B11R0.3 CCCCCNCCCOCC 2230a_100000210961_100000210326 [0,2,0,0,0,0|1,0,1]=4 6857 B11R0.3 CCCCCNCCCOCC 34a_100000210961_100000718602 [0,2,0,0,0,0|1,0,1]=4 6858 B11R0.3 CCCCCNCCOCCO 2230a_100000209983_100011215305 [0,2,0,0,0,0|0,0,2]=4 6859 B11R0.3 CCCCCNCCOCCO 2230a_100000211614_100000210326 [0,2,0,0,0,0|0,0,2]=4 6860 B11R0.3 CCCCCNCCOCCO 34a_100000211614_100000718602 [0,2,0,0,0,0|0,0,2]=4 6861 B11R0.3 CCCCCNCCOCCO 34a_100000224656_100000211926 [0,2,0,0,0,0|0,0,2]=4 6862 B11R0.3 CCCCCNCCSCCO 2230a_100011219999_100000210326 [0,2,0,0,0,0|0,0,2]=4 6863 B11R0.3 CCCCCNCOCCOC 2230a_100000209983_100000231047 [0,2,0,0,0,0|1,0,1]=4 6864 B11R0.3 CCCCCNN=CCCSC 4a_100000694160_100000210997 [0,2,0,0,0,0|1,1,0]=4 6865 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [0,2,0,0,0,0|0,0,2]=4 6866 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [0,2,0,0,0,0|0,0,2]=4 6867 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [0,2,0,0,0,0|0,0,2]=4 6868 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [0,2,0,0,0,0|0,0,2]=4 6869 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [0,2,0,0,0,0|0,0,2]=4 6870 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [0,2,0,0,0,0|1,0,1]=4 6871 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [0,2,0,0,0,0|1,0,1]=4 6872 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [0,2,0,0,0,0|1,0,1]=4 6873 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [0,2,0,0,0,0|1,0,1]=4 6874 B11R0.3 CCCCCOCCOCCO 34a_100000210253_100000692535 [0,2,0,0,0,0|0,0,2]=4 6875 B11R0.3 CCCCCOCCOCCO 34a_100011215259_100000211926 [0,2,0,0,0,0|0,0,2]=4 6876 B11R0.3 CCCCCOCCOCCO 7a_100000210253_100011215305 [0,2,0,0,0,0|0,0,2]=4 6877 B11R0.3 CCCCCOCCOCCO 7a_100011215259_100000211926 [0,2,0,0,0,0|0,0,2]=4 6878 B11R0.3 CCCCCSCCCCCO 62a_100000210326_100000746330 [0,2,0,0,0,0|0,0,2]=4 6879 B11R0.3 CCCCCSCCCCCO 62a_100000746330_100000210326 [0,2,0,0,0,0|0,0,2]=4 6880 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [0,2,0,0,0,0|0,0,2]=4 6881 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [0,2,0,0,0,0|0,0,2]=4 6882 B11R0.3 CCCCCSCCCOCC 62a_100000210326_100012232248 [0,2,0,0,0,0|1,0,1]=4 6883 B11R0.3 CCCCCSCCCOCC 62a_100012232248_100000210326 [0,2,0,0,0,0|1,0,1]=4 6884 B11R0.3 CCCCCSCCOCCO 62a_100000210326_100011215305 [0,2,0,0,0,0|0,0,2]=4 6885 B11R0.3 CCCCCSCCOCCO 62a_100011215305_100000210326 [0,2,0,0,0,0|0,0,2]=4 6886 B11R0.3 CCCCCSCOCCOC 62a_100000210326_100000231047 [0,2,0,0,0,0|1,0,1]=4 6887 B11R0.3 CCCCCSCOCCOC 62a_100000231047_100000210326 [0,2,0,0,0,0|1,0,1]=4 6888 B11R0.3 CCCCNCCCCCCO 2230a_100000102301_100000766143 [0,2,0,0,0,0|0,0,2]=4 6889 B11R0.3 CCCCNCCCCCCO 2230a_100000686447_100000210211 [0,2,0,0,0,0|0,0,2]=4 6890 B11R0.3 CCCCNCCCCCCO 34a_100000686447_100000210210 [0,2,0,0,0,0|0,0,2]=4 6891 B11R0.3 CCCCNCCCCCCO 7a_106832991798_100000766143 [0,2,0,0,0,0|0,0,2]=4 6892 B11R0.3 CCCCNCCCCCOC 2230a_100000747528_100000210211 [0,2,0,0,0,0|0,0,2]=4 6893 B11R0.3 CCCCNCCCCCOC 34a_100000747528_100000210210 [0,2,0,0,0,0|0,0,2]=4 6894 B11R0.3 CCCCNCCOCCOC 2230a_100000102301_100000695917 [0,2,0,0,0,0|1,0,1]=4 6895 B11R0.3 CCCCNCCOCCOC 2230a_100000745349_100000210211 [0,2,0,0,0,0|1,0,1]=4 6896 B11R0.3 CCCCNCCOCCOC 34a_100000745349_100000210210 [0,2,0,0,0,0|1,0,1]=4 6897 B11R0.3 CCCCNCCOCCOC 7a_106832991798_100000695917 [0,2,0,0,0,0|1,0,1]=4 6898 B11R0.3 CCCCNN=CCCCCO 4a_100025702795_100000031955 [0,2,0,0,0,0|1,0,1]=4 6899 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [0,2,0,0,0,0|0,0,2]=4 6900 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [0,2,0,0,0,0|0,0,2]=4 6901 B11R0.3 CCCCOCCCNCCO 2230a_200000211371_100000211926 [0,2,0,0,0,0|0,0,2]=4 6902 B11R0.3 CCCCOCCCNCCO 34a_200000211371_100000211926 [0,2,0,0,0,0|0,0,2]=4 6903 B11R0.3 CCCCOCCCOCCO 34a_200011215613_100000211926 [0,2,0,0,0,0|0,0,2]=4 6904 B11R0.3 CCCCOCCCOCCO 7a_200011215613_100000211926 [0,2,0,0,0,0|0,0,2]=4 6905 B11R0.3 CCCCOCCNCCOC 2230a_100000209980_100000743108 [0,2,0,0,0,0|1,0,1]=4 6906 B11R0.3 CCCCOCCOCCCO 34a_100000210238_100000230001 [0,2,0,0,0,0|0,0,2]=4 6907 B11R0.3 CCCCOCCOCCCO 7a_100000210238_100011215043 [0,2,0,0,0,0|0,0,2]=4 6908 B11R0.3 CCCCOCCOCCOC 34a_100000210227_100000695917 [0,2,0,0,0,0|1,0,1]=4 6909 B11R0.3 CCCCOCCOCCOC 34a_100000210237_100000743108 [0,2,0,0,0,0|1,0,1]=4 6910 B11R0.3 CCCCOCCOCCOC 34a_100000210238_100011201679 [0,2,0,0,0,0|1,0,1]=4 6911 B11R0.3 CCCCOCCOCCOC 34a_100011215163_100000210210 [0,2,0,0,0,0|1,0,1]=4 6912 B11R0.3 CCCCOCCOCCOC 34a_100011215186_200000210301 [0,2,0,0,0,0|1,0,1]=4 6913 B11R0.3 CCCCOCCOCCOC 7a_100000210227_100000695917 [0,2,0,0,0,0|1,0,1]=4 6914 B11R0.3 CCCCOCCOCCOC 7a_100000210238_100000233755 [0,2,0,0,0,0|1,0,1]=4 6915 B11R0.3 CCCCOCCOCCOC 7a_100011215163_100000210211 [0,2,0,0,0,0|1,0,1]=4 6916 B11R0.3 CCCCOCCOCCOC 7a_100011215186_200000210301 [0,2,0,0,0,0|1,0,1]=4 6917 B11R0.3 CCCCOCCOCCON 34a_100000700252_100000743108 [0,2,0,0,0,0|1,0,1]=4 6918 B11R0.3 CCCCOCCOCCO[13CH3] 34a_100011215186_200025704644 [0,2,0,0,0,0|1,0,1]=4 6919 B11R0.3 CCCCOCCOCCO[13CH3] 7a_100011215186_200025704644 [0,2,0,0,0,0|1,0,1]=4 6920 B11R0.3 CCCCOCCSCCCO 62a_100000743108_100011215043 [0,2,0,0,0,0|0,0,2]=4 6921 B11R0.3 CCCCOCCSCCCO 62a_100011215043_100000743108 [0,2,0,0,0,0|0,0,2]=4 6922 B11R0.3 CCCCOCCSCCOC 62a_100000233755_100000743108 [0,2,0,0,0,0|1,0,1]=4 6923 B11R0.3 CCCCOCCSCCOC 62a_100000743108_100000233755 [0,2,0,0,0,0|1,0,1]=4 6924 B11R0.3 CCCCOCNCCCCO 2230a_100000750430_100011995733 [0,2,0,0,0,0|0,0,2]=4 6925 B11R0.3 CCCCOCNCCCCO 34a_100000750430_100011995733 [0,2,0,0,0,0|0,0,2]=4 6926 B11R0.3 CCCCOCNCCCOC 34a_100150723488_100011995733 [0,2,0,0,0,0|1,0,1]=4 6927 B11R0.3 CCCCOCOCCCOC 34a_100000740835_100011995733 [0,2,0,0,0,0|1,0,1]=4 6928 B11R0.3 CCCCOCSCCCCO 62a_100000210776_100011995733 [0,2,0,0,0,0|0,0,2]=4 6929 B11R0.3 CCCCOCSCCCCO 62a_100011995733_100000210776 [0,2,0,0,0,0|0,0,2]=4 6930 B11R0.3 CCCCOCSCCCOC 62a_100000709357_100011995733 [0,2,0,0,0,0|1,0,1]=4 6931 B11R0.3 CCCCOCSCCCOC 62a_100011995733_100000709357 [0,2,0,0,0,0|1,0,1]=4 6932 B11R0.3 CCCCSCCCCCCO 62a_100000210211_100000766143 [0,2,0,0,0,0|0,0,2]=4 6933 B11R0.3 CCCCSCCCCCCO 62a_100000766143_100000210210 [0,2,0,0,0,0|0,0,2]=4 6934 B11R0.3 CCCCSCCNCCCO 2230a_100025743550_100000230001 [0,2,0,0,0,0|0,0,2]=4 6935 B11R0.3 CCCCSCCNCCOC 2230a_100025743550_100011201679 [0,2,0,0,0,0|1,0,1]=4 6936 B11R0.3 CCCCSCCOCCCO 34a_200000230436_100000230001 [0,2,0,0,0,0|0,0,2]=4 6937 B11R0.3 CCCCSCCOCCCO 7a_200000230436_100011215043 [0,2,0,0,0,0|0,0,2]=4 6938 B11R0.3 CCCCSCCOCCOC 34a_200000230436_100011201679 [0,2,0,0,0,0|1,0,1]=4 6939 B11R0.3 CCCCSCCOCCOC 62a_100000210211_100000695917 [0,2,0,0,0,0|1,0,1]=4 6940 B11R0.3 CCCCSCCOCCOC 62a_100000695917_100000210210 [0,2,0,0,0,0|1,0,1]=4 6941 B11R0.3 CCCCSCCOCCOC 7a_200000230436_100000233755 [0,2,0,0,0,0|1,0,1]=4 6942 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [0,2,0,0,0,0|0,0,2]=4 6943 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [0,2,0,0,0,0|0,0,2]=4 6944 B11R0.3 CCCNCCCOCCCO 2230a_100011310245_100000210303 [0,2,0,0,0,0|0,0,2]=4 6945 B11R0.3 CCCNCCCOCCCO 34a_100011310245_100000210303 [0,2,0,0,0,0|0,0,2]=4 6946 B11R0.3 CCCNCCCOCCOC 2230a_100000206027_100000210303 [0,2,0,0,0,0|1,0,1]=4 6947 B11R0.3 CCCNCCCOCCOC 34a_100000206027_100000210303 [0,2,0,0,0,0|1,0,1]=4 6948 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [0,2,0,0,0,0|0,0,2]=4 6949 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [0,2,0,0,0,0|0,0,2]=4 6950 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [0,2,0,0,0,0|0,0,2]=4 6951 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [0,2,0,0,0,0|0,0,2]=4 6952 B11R0.3 CCCOCCCNCCCO 2230a_100011217757_100000230001 [0,2,0,0,0,0|0,0,2]=4 6953 B11R0.3 CCCOCCCNCCCO 34a_100011217757_100000230001 [0,2,0,0,0,0|0,0,2]=4 6954 B11R0.3 CCCOCCCNCCOC 2230a_100011217757_100011201679 [0,2,0,0,0,0|1,0,1]=4 6955 B11R0.3 CCCOCCCNCCOC 34a_100011217757_100011201679 [0,2,0,0,0,0|1,0,1]=4 6956 B11R0.3 CCCOCCCOCCOC 34a_100000210258_100011216529 [0,2,0,0,0,0|1,0,1]=4 6957 B11R0.3 CCCOCCNCCCCO 2230a_100000750430_100011215938 [0,2,0,0,0,0|0,0,2]=4 6958 B11R0.3 CCCOCCNCCCCO 2230a_100161115042_100000210776 [0,2,0,0,0,0|0,0,2]=4 6959 B11R0.3 CCCOCCNCCCCO 34a_100000750430_100011215938 [0,2,0,0,0,0|0,0,2]=4 6960 B11R0.3 CCCOCCNCCCCO 34a_100161115042_100011216708 [0,2,0,0,0,0|0,0,2]=4 6961 B11R0.3 CCCOCCNCCCOC 2230a_100161115042_100000740836 [0,2,0,0,0,0|1,0,1]=4 6962 B11R0.3 CCCOCCNCCCOC 34a_100150723488_100011215938 [0,2,0,0,0,0|1,0,1]=4 6963 B11R0.3 CCCOCCNCCCOC 34a_100161115042_100000740836 [0,2,0,0,0,0|1,0,1]=4 6964 B11R0.3 CCCOCCOCCCCO 34a_100000752267_100011216708 [0,2,0,0,0,0|0,0,2]=4 6965 B11R0.3 CCCOCCOCCCCO 7a_100000752267_100000210776 [0,2,0,0,0,0|0,0,2]=4 6966 B11R0.3 CCCOCCOCCCOC 34a_100000740835_100011215938 [0,2,0,0,0,0|1,0,1]=4 6967 B11R0.3 CCCOCCOCCCOC 34a_100000752267_100000740836 [0,2,0,0,0,0|1,0,1]=4 6968 B11R0.3 CCCOCCOCCCOC 7a_100000752267_100000740836 [0,2,0,0,0,0|1,0,1]=4 6969 B11R0.3 CCCOCCSCCCCO 62a_100000210776_100011215938 [0,2,0,0,0,0|0,0,2]=4 6970 B11R0.3 CCCOCCSCCCCO 62a_100011215938_100000210776 [0,2,0,0,0,0|0,0,2]=4 6971 B11R0.3 CCCOCCSCCCOC 62a_100000709357_100011215938 [0,2,0,0,0,0|1,0,1]=4 6972 B11R0.3 CCCOCCSCCCOC 62a_100011215938_100000709357 [0,2,0,0,0,0|1,0,1]=4 6973 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [0,2,0,0,0,0|0,0,2]=4 6974 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [0,2,0,0,0,0|0,0,2]=4 6975 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [0,2,0,0,0,0|0,0,2]=4 6976 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [0,2,0,0,0,0|0,0,2]=4 6977 B11R0.3 CCCSCCCOCCOC 62a_100000210303_100011216529 [0,2,0,0,0,0|1,0,1]=4 6978 B11R0.3 CCCSCCCOCCOC 62a_100011216529_100000210303 [0,2,0,0,0,0|1,0,1]=4 6979 B11R0.3 CCCSCCNCCCCO 2230a_100020603323_100000210776 [0,2,0,0,0,0|0,0,2]=4 6980 B11R0.3 CCCSCCNCCCOC 2230a_100020603323_100000740836 [0,2,0,0,0,0|1,0,1]=4 6981 B11R0.3 CCCSCCOCCCCO 34a_200000230433_100011216708 [0,2,0,0,0,0|0,0,2]=4 6982 B11R0.3 CCCSCCOCCCCO 7a_200000230433_100000210776 [0,2,0,0,0,0|0,0,2]=4 6983 B11R0.3 CCCSCCOCCCOC 34a_200000230433_100000740836 [0,2,0,0,0,0|1,0,1]=4 6984 B11R0.3 CCCSCCOCCCOC 7a_200000230433_100000740836 [0,2,0,0,0,0|1,0,1]=4 6985 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [0,2,0,0,0,0|0,0,2]=4 6986 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [0,2,0,0,0,0|0,0,2]=4 6987 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [0,2,0,0,0,0|0,0,2]=4 6988 B11R0.3 CCNCCOCCOCCO 2230a_100011998139_100000210202 [0,2,0,0,0,0|1,0,1]=4 6989 B11R0.3 CCNCCOCCOCCO 2230a_100015525214_100000032323 [0,2,0,0,0,0|1,0,1]=4 6990 B11R0.3 CCNCCOCCOCCO 34a_100011998139_100000210202 [0,2,0,0,0,0|1,0,1]=4 6991 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [0,2,0,0,0,0|0,0,2]=4 6992 B11R0.3 CCOCCCNCCCCO 2230a_100000210961_100000210776 [0,2,0,0,0,0|0,0,2]=4 6993 B11R0.3 CCOCCCNCCCCO 2230a_100000750430_100012232248 [0,2,0,0,0,0|0,0,2]=4 6994 B11R0.3 CCOCCCNCCCCO 34a_100000210961_100011216708 [0,2,0,0,0,0|0,0,2]=4 6995 B11R0.3 CCOCCCNCCCCO 34a_100000750430_100012232248 [0,2,0,0,0,0|0,0,2]=4 6996 B11R0.3 CCOCCCNCCCOC 2230a_100000210961_100000740836 [0,2,0,0,0,0|1,0,1]=4 6997 B11R0.3 CCOCCCNCCCOC 34a_100000210961_100000740836 [0,2,0,0,0,0|1,0,1]=4 6998 B11R0.3 CCOCCCNCCCOC 34a_100150723488_100012232248 [0,2,0,0,0,0|1,0,1]=4 6999 B11R0.3 CCOCCCOCCCCO 34a_100000757476_100011216708 [0,2,0,0,0,0|0,0,2]=4 7000 B11R0.3 CCOCCCOCCCCO 7a_100000757476_100000210776 [0,2,0,0,0,0|0,0,2]=4 7001 B11R0.3 CCOCCCOCCCOC 34a_100000740835_100012232248 [0,2,0,0,0,0|1,0,1]=4 7002 B11R0.3 CCOCCCOCCCOC 34a_100000757476_100000740836 [0,2,0,0,0,0|1,0,1]=4 7003 B11R0.3 CCOCCCOCCCOC 34a_200011215475_100000210202 [0,2,0,0,0,0|1,0,1]=4 7004 B11R0.3 CCOCCCOCCCOC 7a_100000757476_100000740836 [0,2,0,0,0,0|1,0,1]=4 7005 B11R0.3 CCOCCCOCCCOC 7a_200011215475_100000210202 [0,2,0,0,0,0|1,0,1]=4 7006 B11R0.3 CCOCCCSCCCCO 62a_100000210776_100012232248 [0,2,0,0,0,0|0,0,2]=4 7007 B11R0.3 CCOCCCSCCCCO 62a_100012232248_100000210776 [0,2,0,0,0,0|0,0,2]=4 7008 B11R0.3 CCOCCCSCCCOC 62a_100000709357_100012232248 [0,2,0,0,0,0|1,0,1]=4 7009 B11R0.3 CCOCCCSCCCOC 62a_100012232248_100000709357 [0,2,0,0,0,0|1,0,1]=4 7010 B11R0.3 CCOCCNCCCCCO 2230a_100000762737_100011215890 [0,2,0,0,0,0|0,0,2]=4 7011 B11R0.3 CCOCCNCCCCCO 2230a_102516460346_100000746330 [0,2,0,0,0,0|0,0,2]=4 7012 B11R0.3 CCOCCNCCCCCO 34a_100000762737_100000210147 [0,2,0,0,0,0|0,0,2]=4 7013 B11R0.3 CCOCCNCCCCCO 34a_102516460346_100000746330 [0,2,0,0,0,0|0,0,2]=4 7014 B11R0.3 CCOCCNCCOCCO 2230a_100000211614_100011215890 [0,2,0,0,0,0|1,0,1]=4 7015 B11R0.3 CCOCCNCCOCCO 2230a_102516460346_100011215305 [0,2,0,0,0,0|1,0,1]=4 7016 B11R0.3 CCOCCNCCOCCO 34a_100000211614_100000210147 [0,2,0,0,0,0|1,0,1]=4 7017 B11R0.3 CCOCCNCCOCCO 34a_102516460346_100000692535 [0,2,0,0,0,0|1,0,1]=4 7018 B11R0.3 CCOCCNCCSCCO 2230a_100011219999_100011215890 [0,2,0,0,0,0|1,0,1]=4 7019 B11R0.3 CCOCCOCCCCCO 34a_100000210136_100000746330 [0,2,0,0,0,0|0,0,2]=4 7020 B11R0.3 CCOCCOCCCCCO 7a_100000210136_100000746330 [0,2,0,0,0,0|0,0,2]=4 7021 B11R0.3 CCOCCOCCNCCO 2230a_100016997473_100011211534 [0,2,0,0,0,0|1,0,1]=4 7022 B11R0.3 CCOCCOCCNCCO 2230a_100102712874_100000211926 [0,2,0,0,0,0|1,0,1]=4 7023 B11R0.3 CCOCCOCCNCCO 34a_100016990907_100011211534 [0,2,0,0,0,0|1,0,1]=4 7024 B11R0.3 CCOCCOCCNCCO 34a_100102712874_100000211926 [0,2,0,0,0,0|1,0,1]=4 7025 B11R0.3 CCOCCOCCOCCO 34a_100000210136_100000692535 [0,2,0,0,0,0|1,0,1]=4 7026 B11R0.3 CCOCCOCCOCCO 34a_100000210240_100000211926 [0,2,0,0,0,0|1,0,1]=4 7027 B11R0.3 CCOCCOCCOCCO 34a_100121572206_100000032323 [0,2,0,0,0,0|1,0,1]=4 7028 B11R0.3 CCOCCOCCOCCO 7a_100000210136_100011215305 [0,2,0,0,0,0|1,0,1]=4 7029 B11R0.3 CCOCCOCCOCCO 7a_100000210240_100000211926 [0,2,0,0,0,0|1,0,1]=4 7030 B11R0.3 CCOCCOCCSCCO 62a_100000211926_100011211534 [0,2,0,0,0,0|1,0,1]=4 7031 B11R0.3 CCOCCOCCSCCO 62a_100011211534_100000211926 [0,2,0,0,0,0|1,0,1]=4 7032 B11R0.3 CCOCCSCCCCCO 62a_100000210147_100000746330 [0,2,0,0,0,0|0,0,2]=4 7033 B11R0.3 CCOCCSCCCCCO 62a_100000746330_100011215890 [0,2,0,0,0,0|0,0,2]=4 7034 B11R0.3 CCOCCSCCOCCO 62a_100000210147_100011215305 [0,2,0,0,0,0|1,0,1]=4 7035 B11R0.3 CCOCCSCCOCCO 62a_100011215305_100011215890 [0,2,0,0,0,0|1,0,1]=4 7036 B11R0.3 CCOCSCCCCCCO 62a_100000739092_100000766143 [0,2,0,0,0,0|0,0,2]=4 7037 B11R0.3 CCOCSCCCCCCO 62a_100000766143_100000739092 [0,2,0,0,0,0|0,0,2]=4 7038 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [0,2,0,0,0,0|0,0,2]=4 7039 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [0,2,0,0,0,0|0,0,2]=4 7040 B11R0.3 CCSCCCOCCCCO 34a_100011216438_100011216708 [0,2,0,0,0,0|0,0,2]=4 7041 B11R0.3 CCSCCCOCCCCO 7a_100011216438_100000210776 [0,2,0,0,0,0|0,0,2]=4 7042 B11R0.3 CCSCCCOCCCOC 34a_100011216438_100000740836 [0,2,0,0,0,0|1,0,1]=4 7043 B11R0.3 CCSCCCOCCCOC 7a_100011216438_100000740836 [0,2,0,0,0,0|1,0,1]=4 7044 B11R0.3 CCSCCNCCCCCO 2230a_100000106463_100000746330 [0,2,0,0,0,0|0,0,2]=4 7045 B11R0.3 CCSCCNCCCCCO 2230a_100000762737_100000757381 [0,2,0,0,0,0|0,0,2]=4 7046 B11R0.3 CCSCCNCCCCCO 34a_100000762737_100000757381 [0,2,0,0,0,0|0,0,2]=4 7047 B11R0.3 CCSCCNCCOCCO 2230a_100000106463_100011215305 [0,2,0,0,0,0|1,0,1]=4 7048 B11R0.3 CCSCCNCCOCCO 2230a_100000211614_100000757381 [0,2,0,0,0,0|1,0,1]=4 7049 B11R0.3 CCSCCNCCOCCO 34a_100000211614_100000757381 [0,2,0,0,0,0|1,0,1]=4 7050 B11R0.3 CCSCCNCCSCCO 2230a_100011219999_100000757381 [0,2,0,0,0,0|1,0,1]=4 7051 B11R0.3 CCSCCOCCCCCO 34a_100000212035_100000746330 [0,2,0,0,0,0|0,0,2]=4 7052 B11R0.3 CCSCCOCCCCCO 7a_100000212035_100000746330 [0,2,0,0,0,0|0,0,2]=4 7053 B11R0.3 CCSCCOCCOCCO 34a_100000212035_100000692535 [0,2,0,0,0,0|1,0,1]=4 7054 B11R0.3 CCSCCOCCOCCO 62a_100000032323_100000210202 [0,2,0,0,0,0|1,0,1]=4 7055 B11R0.3 CCSCCOCCOCCO 62a_100000210202_100000032323 [0,2,0,0,0,0|1,0,1]=4 7056 B11R0.3 CCSCCOCCOCCO 7a_100000212035_100011215305 [0,2,0,0,0,0|1,0,1]=4 7057 B11R0.3 CCSCCSCCCCCO 62a_100000746330_100000757381 [0,2,0,0,0,0|0,0,2]=4 7058 B11R0.3 CCSCCSCCCCCO 62a_100000757381_100000746330 [0,2,0,0,0,0|0,0,2]=4 7059 B11R0.3 CCSCCSCCOCCO 62a_100000757381_100011215305 [0,2,0,0,0,0|1,0,1]=4 7060 B11R0.3 CCSCCSCCOCCO 62a_100011215305_100000757381 [0,2,0,0,0,0|1,0,1]=4 7061 B11R0.3 CNCCCCCCCCCO 2230a_100000078944_200000210301 [0,2,0,0,0,0|0,0,2]=4 7062 B11R0.3 CNCCCCCCCCCO 2230a_106832991635_100009813782 [0,2,0,0,0,0|0,0,2]=4 7063 B11R0.3 CNCCCCCCCCCO 34a_100000078944_200000210301 [0,2,0,0,0,0|0,0,2]=4 7064 B11R0.3 CNCCCCCCCCCO 34a_100102657272_100009813782 [0,2,0,0,0,0|0,0,2]=4 7065 B11R0.3 CNCCCCCCCCCO 7a_106832991635_100009813782 [0,2,0,0,0,0|0,0,2]=4 7066 B11R0.3 CNCCCCCOCCCO 34a_100000722520_100000230001 [0,2,0,0,0,0|0,0,2]=4 7067 B11R0.3 CNCCCCCOCCOC 34a_100000722520_100011201679 [0,2,0,0,0,0|1,0,1]=4 7068 B11R0.3 CNCCCOCCCCCO 34a_100000213112_100000746330 [0,2,0,0,0,0|0,0,2]=4 7069 B11R0.3 CNCCCOCCOCCO 2230a_100011996194_200000210301 [0,2,0,0,0,0|1,0,1]=4 7070 B11R0.3 CNCCCOCCOCCO 34a_100000213112_100000692535 [0,2,0,0,0,0|1,0,1]=4 7071 B11R0.3 CNCCCOCCOCCO 34a_100011996194_200000210301 [0,2,0,0,0,0|1,0,1]=4 7072 B11R0.3 CNCCOCCOCCCO 34a_100000228057_100000230001 [0,2,0,0,0,0|1,0,1]=4 7073 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [0,2,0,0,0,0|0,0,2]=4 7074 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [0,2,0,0,0,0|0,0,2]=4 7075 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [0,2,0,0,0,0|0,0,2]=4 7076 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [0,2,0,0,0,0|0,0,2]=4 7077 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [0,2,0,0,0,0|0,0,2]=4 7078 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [0,2,0,0,0,0|0,0,2]=4 7079 B11R0.3 COCCCCCCNCCO 2230a_100016997473_100011998445 [0,2,0,0,0,0|0,0,2]=4 7080 B11R0.3 COCCCCCCNCCO 34a_100016990907_100011998445 [0,2,0,0,0,0|0,0,2]=4 7081 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [0,2,0,0,0,0|0,0,2]=4 7082 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [0,2,0,0,0,0|0,0,2]=4 7083 B11R0.3 COCCCCCCSCCO 62a_100000211926_100011998445 [0,2,0,0,0,0|0,0,2]=4 7084 B11R0.3 COCCCCCCSCCO 62a_100011998445_100000211926 [0,2,0,0,0,0|0,0,2]=4 7085 B11R0.3 COCCCCCNCCCO 2230a_100000747528_100000230001 [0,2,0,0,0,0|0,0,2]=4 7086 B11R0.3 COCCCCCNCCCO 34a_100000747528_100000230001 [0,2,0,0,0,0|0,0,2]=4 7087 B11R0.3 COCCCCCNCCOC 2230a_100000747528_100011201679 [0,2,0,0,0,0|1,0,1]=4 7088 B11R0.3 COCCCCCNCCOC 34a_100000747528_100011201679 [0,2,0,0,0,0|1,0,1]=4 7089 B11R0.3 COCCCCNCCCCO 2230a_100000750430_100000730899 [0,2,0,0,0,0|0,0,2]=4 7090 B11R0.3 COCCCCNCCCCO 34a_100000750430_100000755781 [0,2,0,0,0,0|0,0,2]=4 7091 B11R0.3 COCCCCNCCCOC 34a_100150723488_100000755781 [0,2,0,0,0,0|1,0,1]=4 7092 B11R0.3 COCCCCOCCCCO 34a_100000740925_100011216708 [0,2,0,0,0,0|0,0,2]=4 7093 B11R0.3 COCCCCOCCCOC 34a_100000740835_100000755781 [0,2,0,0,0,0|1,0,1]=4 7094 B11R0.3 COCCCCOCCCOC 34a_100000740925_100000740836 [0,2,0,0,0,0|1,0,1]=4 7095 B11R0.3 COCCCCSCCCCO 62a_100000210776_100000730899 [0,2,0,0,0,0|0,0,2]=4 7096 B11R0.3 COCCCCSCCCCO 62a_100000730899_100000210776 [0,2,0,0,0,0|0,0,2]=4 7097 B11R0.3 COCCCCSCCCOC 62a_100000709357_100000730899 [0,2,0,0,0,0|1,0,1]=4 7098 B11R0.3 COCCCCSCCCOC 62a_100000730899_100000709357 [0,2,0,0,0,0|1,0,1]=4 7099 B11R0.3 COCCCNCCCCCF 34a_100150723488_100000729378 [0,2,0,0,0,0|1,0,1]=4 7100 B11R0.3 COCCCNCCCCCO 2230a_100000762737_100000740836 [0,2,0,0,0,0|0,0,2]=4 7101 B11R0.3 COCCCNCCCCCO 34a_100000762737_100000740836 [0,2,0,0,0,0|0,0,2]=4 7102 B11R0.3 COCCCNCCCCCO 34a_100150723488_100000746330 [0,2,0,0,0,0|0,0,2]=4 7103 B11R0.3 COCCCNCCOCCO 2230a_100000211614_100000740836 [0,2,0,0,0,0|1,0,1]=4 7104 B11R0.3 COCCCNCCOCCO 34a_100000211614_100000740836 [0,2,0,0,0,0|1,0,1]=4 7105 B11R0.3 COCCCNCCOCCO 34a_100150723488_100000692535 [0,2,0,0,0,0|1,0,1]=4 7106 B11R0.3 COCCCNCCSCCO 2230a_100011219999_100000740836 [0,2,0,0,0,0|1,0,1]=4 7107 B11R0.3 COCCCOCCCCCBr 34a_100000746331_100000740836 [0,2,0,0,0,0|1,0,1]=4 7108 B11R0.3 COCCCOCCCCCBr 7a_100000746331_100000740836 [0,2,0,0,0,0|1,0,1]=4 7109 B11R0.3 COCCCOCCCCCCl 34a_100000746330_100000740836 [0,2,0,0,0,0|1,0,1]=4 7110 B11R0.3 COCCCOCCCCCCl 7a_100000746330_100000740836 [0,2,0,0,0,0|1,0,1]=4 7111 B11R0.3 COCCCOCCCCCF 34a_100000740835_100000729378 [0,2,0,0,0,0|1,0,1]=4 7112 B11R0.3 COCCCOCCCCCI 34a_200012148887_100000740836 [0,2,0,0,0,0|1,0,1]=4 7113 B11R0.3 COCCCOCCCCCI 7a_200012148887_100000740836 [0,2,0,0,0,0|1,0,1]=4 7114 B11R0.3 COCCCOCCCCCN 34a_100000762737_100000740836 [0,2,0,0,0,0|1,0,1]=4 7115 B11R0.3 COCCCOCCCCCO 34a_100000740835_100000746330 [0,2,0,0,0,0|0,0,2]=4 7116 B11R0.3 COCCCOCCCCSC 34a_100011217163_100000740836 [0,2,0,0,0,0|1,0,1]=4 7117 B11R0.3 COCCCOCCCCSC 7a_100011217163_100000740836 [0,2,0,0,0,0|1,0,1]=4 7118 B11R0.3 COCCCOCCOCCO 34a_100000740835_100000692535 [0,2,0,0,0,0|1,0,1]=4 7119 B11R0.3 COCCCSCCCCCF 62a_100000709357_100000729378 [0,2,0,0,0,0|1,0,1]=4 7120 B11R0.3 COCCCSCCCCCF 62a_100000729378_100000709357 [0,2,0,0,0,0|1,0,1]=4 7121 B11R0.3 COCCCSCCCCCO 62a_100000709357_100000746330 [0,2,0,0,0,0|0,0,2]=4 7122 B11R0.3 COCCCSCCCCCO 62a_100000746330_100000709357 [0,2,0,0,0,0|0,0,2]=4 7123 B11R0.3 COCCCSCCOCCO 62a_100000709357_100011215305 [0,2,0,0,0,0|1,0,1]=4 7124 B11R0.3 COCCCSCCOCCO 62a_100011215305_100000709357 [0,2,0,0,0,0|1,0,1]=4 7125 B11R0.3 COCCNCCCCCCF 2230a_100000209980_100015922095 [0,2,0,0,0,0|1,0,1]=4 7126 B11R0.3 COCCNCCCCCCO 2230a_100000209980_100000766143 [0,2,0,0,0,0|0,0,2]=4 7127 B11R0.3 COCCNCCCCCCO 2230a_100000686447_100011201679 [0,2,0,0,0,0|0,0,2]=4 7128 B11R0.3 COCCNCCCCCCO 34a_100000686447_100011201679 [0,2,0,0,0,0|0,0,2]=4 7129 B11R0.3 COCCOCCCCCCBr 34a_100011215345_100011201679 [0,2,0,0,0,0|1,0,1]=4 7130 B11R0.3 COCCOCCCCCCBr 7a_100011215345_100000233755 [0,2,0,0,0,0|1,0,1]=4 7131 B11R0.3 COCCOCCCCCCCl 34a_100000766143_100011201679 [0,2,0,0,0,0|1,0,1]=4 7132 B11R0.3 COCCOCCCCCCCl 7a_100000766143_100000233755 [0,2,0,0,0,0|1,0,1]=4 7133 B11R0.3 COCCOCCCCCCF 34a_100000210237_100015922095 [0,2,0,0,0,0|1,0,1]=4 7134 B11R0.3 COCCOCCCCCCF 34a_100000732779_100011201679 [0,2,0,0,0,0|1,0,1]=4 7135 B11R0.3 COCCOCCCCCCF 7a_100000732779_100000233755 [0,2,0,0,0,0|1,0,1]=4 7136 B11R0.3 COCCOCCCCCCN 34a_100000686447_100011201679 [0,2,0,0,0,0|1,0,1]=4 7137 B11R0.3 COCCOCCCCCCO 34a_100000210237_100000766143 [0,2,0,0,0,0|0,0,2]=4 7138 B11R0.3 COCCOCCCNCCO 2230a_100000206027_100000211926 [0,2,0,0,0,0|1,0,1]=4 7139 B11R0.3 COCCOCCCNCCO 2230a_100016997473_100011216529 [0,2,0,0,0,0|1,0,1]=4 7140 B11R0.3 COCCOCCCNCCO 34a_100000206027_100000211926 [0,2,0,0,0,0|1,0,1]=4 7141 B11R0.3 COCCOCCCNCCO 34a_100016990907_100011216529 [0,2,0,0,0,0|1,0,1]=4 7142 B11R0.3 COCCOCCCSCCO 62a_100000211926_100011216529 [0,2,0,0,0,0|1,0,1]=4 7143 B11R0.3 COCCOCCCSCCO 62a_100011216529_100000211926 [0,2,0,0,0,0|1,0,1]=4 7144 B11R0.3 COCCOCCNCCCO 2230a_100000745349_100000230001 [0,2,0,0,0,0|1,0,1]=4 7145 B11R0.3 COCCOCCNCCCO 34a_100000745349_100000230001 [0,2,0,0,0,0|1,0,1]=4 7146 B11R0.3 COCCOCCOCCCO 34a_100011215163_100000230001 [0,2,0,0,0,0|1,0,1]=4 7147 B11R0.3 COCCOCCOCCCO 7a_100011215163_100011215043 [0,2,0,0,0,0|1,0,1]=4 7148 B11R0.3 COCCOCCSCCCO 62a_100000695917_100011215043 [0,2,0,0,0,0|1,0,1]=4 7149 B11R0.3 COCCOCCSCCCO 62a_100011215043_100000695917 [0,2,0,0,0,0|1,0,1]=4 7150 B11R0.3 COCCSCCCCCCF 62a_100000233755_100015922095 [0,2,0,0,0,0|1,0,1]=4 7151 B11R0.3 COCCSCCCCCCF 62a_100015922095_100000233755 [0,2,0,0,0,0|1,0,1]=4 7152 B11R0.3 COCCSCCCCCCO 62a_100000233755_100000766143 [0,2,0,0,0,0|0,0,2]=4 7153 B11R0.3 COCCSCCCCCCO 62a_100000766143_100000233755 [0,2,0,0,0,0|0,0,2]=4 7154 B11R0.3 COCNCCCCCCCO 2230a_100011996573_100000766300 [0,2,0,0,0,0|0,0,2]=4 7155 B11R0.3 COCNCCCOCCCO 2230a_100011310245_100000766300 [0,2,0,0,0,0|1,0,1]=4 7156 B11R0.3 COCSCCCCCCCO 62a_100000760002_100000766300 [0,2,0,0,0,0|0,0,2]=4 7157 B11R0.3 COCSCCCCCCCO 62a_100000766300_100000760002 [0,2,0,0,0,0|0,0,2]=4 7158 B11R0.3 CSCCCCCCCCCO 62a_100009813782_200000210301 [0,2,0,0,0,0|0,0,2]=4 7159 B11R0.3 CSCCCCCCCCCO 62a_200000210301_100009813782 [0,2,0,0,0,0|0,0,2]=4 7160 B11R0.3 CSCCCCOCCCCO 34a_100011217163_100011216708 [0,2,0,0,0,0|0,0,2]=4 7161 B11R0.3 CSCCCCOCCCCO 7a_100011217163_100000210776 [0,2,0,0,0,0|0,0,2]=4 7162 B11R0.3 CSCCCNCCCCCO 2230a_100000749238_100000746330 [0,2,0,0,0,0|0,0,2]=4 7163 B11R0.3 CSCCCNCCOCCO 2230a_100000749238_100011215305 [0,2,0,0,0,0|1,0,1]=4 7164 B11R0.3 CSCCCOCCCCCO 34a_100000690336_100000746330 [0,2,0,0,0,0|0,0,2]=4 7165 B11R0.3 CSCCCOCCCCCO 7a_100000690336_100000746330 [0,2,0,0,0,0|0,0,2]=4 7166 B11R0.3 CSCCCOCCOCCO 34a_100000690336_100000692535 [0,2,0,0,0,0|1,0,1]=4 7167 B11R0.3 CSCCCOCCOCCO 7a_100000690336_100011215305 [0,2,0,0,0,0|1,0,1]=4 7168 B11R0.3 CSCCNCCCCCCO 2230a_100000686447_100000751147 [0,2,0,0,0,0|0,0,2]=4 7169 B11R0.3 CSCCNCCCCCCO 2230a_100020590264_100000766143 [0,2,0,0,0,0|0,0,2]=4 7170 B11R0.3 CSCCNCCCCCCO 34a_100000686447_100000212216 [0,2,0,0,0,0|0,0,2]=4 7171 B11R0.3 CSCCOCCCCCCO 34a_100000230434_100000766143 [0,2,0,0,0,0|0,0,2]=4 7172 B11R0.3 CSCCOCCCCCCO 7a_100000230434_100000766143 [0,2,0,0,0,0|0,0,2]=4 7173 B11R0.3 CSCCSCCCCCCO 62a_100000212216_100000766143 [0,2,0,0,0,0|0,0,2]=4 7174 B11R0.3 CSCCSCCCCCCO 62a_100000766143_100000751147 [0,2,0,0,0,0|0,0,2]=4 7175 B11R0.3 CSCNCCCCCCCO 2230a_100011996573_100011218213 [0,2,0,0,0,0|0,0,2]=4 7176 B11R0.3 CSCNCCCCCCCO 34a_100011996573_100011218213 [0,2,0,0,0,0|0,0,2]=4 7177 B11R0.3 CSCNCCCOCCCO 2230a_100011310245_100011218213 [0,2,0,0,0,0|1,0,1]=4 7178 B11R0.3 CSCNCCCOCCCO 34a_100011310245_100011218213 [0,2,0,0,0,0|1,0,1]=4 7179 B11R0.3 CSCSCCCCCCCO 62a_100000760002_100011218213 [0,2,0,0,0,0|0,0,2]=4 7180 B11R0.3 CSCSCCCCCCCO 62a_100011218213_100000760002 [0,2,0,0,0,0|0,0,2]=4 7181 B11R0.3 N#CCCCCCCNCCO 2230a_100016997473_100009813337 [0,2,0,0,0,0|1,0,1]=4 7182 B11R0.3 N#CCCCCCCSCCO 62a_100000211926_100009813337 [0,2,0,0,0,0|1,0,1]=4 7183 B11R0.3 N#CCCCCCCSCCO 62a_100009813337_100000211926 [0,2,0,0,0,0|1,0,1]=4 7184 B11R0.3 N#CCCCCCSCCCO 62a_100009813376_100011215043 [0,2,0,0,0,0|1,0,1]=4 7185 B11R0.3 N#CCCCCCSCCCO 62a_100011215043_100009813376 [0,2,0,0,0,0|1,0,1]=4 7186 B11R0.3 NCCCCCCCOCCO 34a_100011996573_100000211926 [0,2,0,0,0,0|0,0,2]=4 7187 B11R0.3 NCCCCCCOCCCO 34a_100000686447_100000230001 [0,2,0,0,0,0|0,0,2]=4 7188 B11R0.3 NCCCCCOCCCCO 34a_100000762737_100011216708 [0,2,0,0,0,0|0,0,2]=4 7189 B11R0.3 NCCCCOCCCCCO 34a_100000750430_100000746330 [0,2,0,0,0,0|0,0,2]=4 7190 B11R0.3 NCCCCOCCOCCO 34a_100000750430_100000692535 [0,2,0,0,0,0|1,0,1]=4 7191 B11R0.3 NCCCOCCCCCCO 34a_100000182051_100000766143 [0,2,0,0,0,0|0,0,2]=4 7192 B11R0.3 NCCCOCCCOCCO 34a_100011310245_100000211926 [0,2,0,0,0,0|1,0,1]=4 7193 B11R0.3 NCCOCCCCCCCO 34a_100000210304_100000760002 [0,2,0,0,0,0|0,0,2]=4 7194 B11R0.3 NOCCOCCCCCCF 34a_100000700252_100015922095 [0,2,0,0,0,0|1,0,1]=4 7195 B11R0.3 NOCCOCCCCCCO 34a_100000700252_100000766143 [0,2,0,0,0,0|1,0,1]=4 7196 B11R0.3 O=CCCCCCSCCCO 62a_100000139337_100011215043 [0,2,0,0,0,0|1,0,1]=4 7197 B11R0.3 O=CCCCCCSCCCO 62a_100011215043_100000139337 [0,2,0,0,0,0|1,0,1]=4 7198 B11R0.3 OCCCCCCCCNCF 34a_102515433106_100015361967 [0,2,0,0,0,0|0,0,2]=4 7199 B11R0.3 OCCCCCCCCSCF 62a_100000033203_100015361967 [0,2,0,0,0,0|0,0,2]=4 7200 B11R0.3 OCCCCCCCCSCF 62a_100015361967_100000033203 [0,2,0,0,0,0|0,0,2]=4 7201 B11R0.3 OCCCCCCCNCCF 2230a_100011996573_100011217306 [0,2,0,0,0,0|0,0,2]=4 7202 B11R0.3 OCCCCCCCNCCF 34a_100000724931_100000760002 [0,2,0,0,0,0|0,0,2]=4 7203 B11R0.3 OCCCCCCCNCCF 34a_100011996573_100011217306 [0,2,0,0,0,0|0,0,2]=4 7204 B11R0.3 OCCCCCCCNCCO 2230a_100011996573_100000211926 [0,2,0,0,0,0|0,0,2]=4 7205 B11R0.3 OCCCCCCCNCCO 2230a_100016997473_100000760002 [0,2,0,0,0,0|0,0,2]=4 7206 B11R0.3 OCCCCCCCNCCO 34a_100011996573_100000211926 [0,2,0,0,0,0|0,0,2]=4 7207 B11R0.3 OCCCCCCCNCCO 34a_100016990907_100000760002 [0,2,0,0,0,0|0,0,2]=4 7208 B11R0.3 OCCCCCCCOCCBr 34a_100000211926_100000760002 [0,2,0,0,0,0|0,0,2]=4 7209 B11R0.3 OCCCCCCCSCCF 62a_100000760002_100011217306 [0,2,0,0,0,0|0,0,2]=4 7210 B11R0.3 OCCCCCCCSCCF 62a_100011217306_100000760002 [0,2,0,0,0,0|0,0,2]=4 7211 B11R0.3 OCCCCCCCSCCO 62a_100000211926_100000760002 [0,2,0,0,0,0|0,0,2]=4 7212 B11R0.3 OCCCCCCCSCCO 62a_100000760002_100000211926 [0,2,0,0,0,0|0,0,2]=4 7213 B11R0.3 OCCCCCCNCCCF 2230a_100000686447_100011934791 [0,2,0,0,0,0|0,0,2]=4 7214 B11R0.3 OCCCCCCNCCCF 2230a_100015189416_100000766143 [0,2,0,0,0,0|0,0,2]=4 7215 B11R0.3 OCCCCCCNCCCF 34a_100000686447_100011934791 [0,2,0,0,0,0|0,0,2]=4 7216 B11R0.3 OCCCCCCNCCCF 34a_100015189416_100000766143 [0,2,0,0,0,0|0,0,2]=4 7217 B11R0.3 OCCCCCCNCCCO 2230a_100000686447_100000230001 [0,2,0,0,0,0|0,0,2]=4 7218 B11R0.3 OCCCCCCNCCCO 34a_100000686447_100000230001 [0,2,0,0,0,0|0,0,2]=4 7219 B11R0.3 OCCCCCCOCCCBr 34a_100011217188_100000766143 [0,2,0,0,0,0|0,0,2]=4 7220 B11R0.3 OCCCCCCOCCCCl 34a_100000230001_100000766143 [0,2,0,0,0,0|0,0,2]=4 7221 B11R0.3 OCCCCCCOCCCF 34a_100000759539_100000766143 [0,2,0,0,0,0|0,0,2]=4 7222 B11R0.3 OCCCCCCSCCCF 62a_100000766143_100011934791 [0,2,0,0,0,0|0,0,2]=4 7223 B11R0.3 OCCCCCCSCCCF 62a_100011934791_100000766143 [0,2,0,0,0,0|0,0,2]=4 7224 B11R0.3 OCCCCCCSCCCO 62a_100000766143_100011215043 [0,2,0,0,0,0|0,0,2]=4 7225 B11R0.3 OCCCCCCSCCCO 62a_100011215043_100000766143 [0,2,0,0,0,0|0,0,2]=4 7226 B11R0.3 OCCCCCNCCCCF 2230a_100000762737_100000729493 [0,2,0,0,0,0|0,0,2]=4 7227 B11R0.3 OCCCCCNCCCCF 34a_100000762737_100000729493 [0,2,0,0,0,0|0,0,2]=4 7228 B11R0.3 OCCCCCNCCCCO 2230a_100000750430_100000746330 [0,2,0,0,0,0|0,0,2]=4 7229 B11R0.3 OCCCCCNCCCCO 2230a_100000762737_100000210776 [0,2,0,0,0,0|0,0,2]=4 7230 B11R0.3 OCCCCCNCCCCO 34a_100000750430_100000746330 [0,2,0,0,0,0|0,0,2]=4 7231 B11R0.3 OCCCCCNCCCCO 34a_100000762737_100011216708 [0,2,0,0,0,0|0,0,2]=4 7232 B11R0.3 OCCCCCOCCCCBr 34a_100011216708_100000746330 [0,2,0,0,0,0|0,0,2]=4 7233 B11R0.3 OCCCCCOCCCCCl 34a_100000210776_100000746330 [0,2,0,0,0,0|0,0,2]=4 7234 B11R0.3 OCCCCCOCCCCCl 7a_100000210776_100000746330 [0,2,0,0,0,0|0,0,2]=4 7235 B11R0.3 OCCCCCOCCCCF 34a_100011995726_100000746330 [0,2,0,0,0,0|0,0,2]=4 7236 B11R0.3 OCCCCCOCCCCF 7a_100011995726_100000746330 [0,2,0,0,0,0|0,0,2]=4 7237 B11R0.3 OCCCCCOCCCCI 34a_200012148704_100000746330 [0,2,0,0,0,0|0,0,2]=4 7238 B11R0.3 OCCCCCSCCCCF 62a_100000729493_100000746330 [0,2,0,0,0,0|0,0,2]=4 7239 B11R0.3 OCCCCCSCCCCF 62a_100000746330_100000729493 [0,2,0,0,0,0|0,0,2]=4 7240 B11R0.3 OCCCCCSCCCCO 62a_100000210776_100000746330 [0,2,0,0,0,0|0,0,2]=4 7241 B11R0.3 OCCCCCSCCCCO 62a_100000746330_100000210776 [0,2,0,0,0,0|0,0,2]=4 7242 B11R0.3 OCCCCNCCCCCF 2230a_100000750430_100000729378 [0,2,0,0,0,0|0,0,2]=4 7243 B11R0.3 OCCCCNCCCCCF 34a_100000750430_100000729378 [0,2,0,0,0,0|0,0,2]=4 7244 B11R0.3 OCCCCNCCOCCO 2230a_100000211614_100000210776 [0,2,0,0,0,0|1,0,1]=4 7245 B11R0.3 OCCCCNCCOCCO 2230a_100000750430_100011215305 [0,2,0,0,0,0|1,0,1]=4 7246 B11R0.3 OCCCCNCCOCCO 34a_100000211614_100011216708 [0,2,0,0,0,0|1,0,1]=4 7247 B11R0.3 OCCCCNCCOCCO 34a_100000750430_100000692535 [0,2,0,0,0,0|1,0,1]=4 7248 B11R0.3 OCCCCNCCSCCO 2230a_100011219999_100000210776 [0,2,0,0,0,0|1,0,1]=4 7249 B11R0.3 OCCCCOCCCCCBr 34a_100000746331_100011216708 [0,2,0,0,0,0|0,0,2]=4 7250 B11R0.3 OCCCCOCCCCCBr 7a_100000746331_100000210776 [0,2,0,0,0,0|0,0,2]=4 7251 B11R0.3 OCCCCOCCCCCCl 34a_100000746330_100011216708 [0,2,0,0,0,0|0,0,2]=4 7252 B11R0.3 OCCCCOCCCCCCl 7a_100000746330_100000210776 [0,2,0,0,0,0|0,0,2]=4 7253 B11R0.3 OCCCCOCCCCCI 34a_200012148887_100011216708 [0,2,0,0,0,0|0,0,2]=4 7254 B11R0.3 OCCCCOCCCCCI 7a_200012148887_100000210776 [0,2,0,0,0,0|0,0,2]=4 7255 B11R0.3 OCCCCSCCCCCF 62a_100000210776_100000729378 [0,2,0,0,0,0|0,0,2]=4 7256 B11R0.3 OCCCCSCCCCCF 62a_100000729378_100000210776 [0,2,0,0,0,0|0,0,2]=4 7257 B11R0.3 OCCCCSCCOCCO 62a_100000210776_100011215305 [0,2,0,0,0,0|1,0,1]=4 7258 B11R0.3 OCCCCSCCOCCO 62a_100011215305_100000210776 [0,2,0,0,0,0|1,0,1]=4 7259 B11R0.3 OCCCOCCCCCCBr 34a_100011215345_100000230001 [0,2,0,0,0,0|0,0,2]=4 7260 B11R0.3 OCCCOCCCCCCBr 7a_100011215345_100011215043 [0,2,0,0,0,0|0,0,2]=4 7261 B11R0.3 OCCCOCCCCCCCl 34a_100000766143_100000230001 [0,2,0,0,0,0|0,0,2]=4 7262 B11R0.3 OCCCOCCCCCCCl 7a_100000766143_100011215043 [0,2,0,0,0,0|0,0,2]=4 7263 B11R0.3 OCCCOCCCCCCF 34a_100000732779_100000230001 [0,2,0,0,0,0|0,0,2]=4 7264 B11R0.3 OCCCOCCCCCCF 7a_100000732779_100011215043 [0,2,0,0,0,0|0,0,2]=4 7265 B11R0.3 OCCCOCCCNCCF 2230a_100011310245_100011217306 [0,2,0,0,0,0|1,0,1]=4 7266 B11R0.3 OCCCOCCCNCCF 34a_100011310245_100011217306 [0,2,0,0,0,0|1,0,1]=4 7267 B11R0.3 OCCCOCCCNCCO 2230a_100011310245_100000211926 [0,2,0,0,0,0|1,0,1]=4 7268 B11R0.3 OCCCOCCCNCCO 34a_100011310245_100000211926 [0,2,0,0,0,0|1,0,1]=4 7269 B11R0.3 OCCCSCCCCCCF 62a_100011215043_100015922095 [0,2,0,0,0,0|0,0,2]=4 7270 B11R0.3 OCCCSCCCCCCF 62a_100015922095_100011215043 [0,2,0,0,0,0|0,0,2]=4 7271 B11R0.3 OCCOCCCCCCCBr 34a_100000760002_100000211926 [0,2,0,0,0,0|0,0,2]=4 7272 B11R0.3 OCCOCCCCCCCBr 7a_100000760002_100000211926 [0,2,0,0,0,0|0,0,2]=4 7273 B11R0.3 OCCOCCNCCCCF 2230a_100000211614_100000729493 [0,2,0,0,0,0|1,0,1]=4 7274 B11R0.3 OCCOCCNCCCCF 34a_100000211614_100000729493 [0,2,0,0,0,0|1,0,1]=4 7275 B11R0.3 OCCOCCOCCCCBr 34a_100011216708_100000692535 [0,2,0,0,0,0|1,0,1]=4 7276 B11R0.3 OCCOCCOCCCCCl 34a_100000210776_100000692535 [0,2,0,0,0,0|1,0,1]=4 7277 B11R0.3 OCCOCCOCCCCCl 7a_100000210776_100011215305 [0,2,0,0,0,0|1,0,1]=4 7278 B11R0.3 OCCOCCOCCCCF 34a_100011995726_100000692535 [0,2,0,0,0,0|1,0,1]=4 7279 B11R0.3 OCCOCCOCCCCF 7a_100011995726_100011215305 [0,2,0,0,0,0|1,0,1]=4 7280 B11R0.3 OCCOCCOCCCCI 34a_200012148704_100000692535 [0,2,0,0,0,0|1,0,1]=4 7281 B11R0.3 OCCOCCSCCCCF 62a_100000729493_100011215305 [0,2,0,0,0,0|1,0,1]=4 7282 B11R0.3 OCCOCCSCCCCF 62a_100011215305_100000729493 [0,2,0,0,0,0|1,0,1]=4 7283 B11R0.3 OCCSCCNCCCCF 2230a_100011219999_100000729493 [0,2,0,0,0,0|1,0,1]=4 7284 B11R0.3 [13CH3]NCCCCCCCCCO 2230a_100000078944_200025704644 [0,2,0,0,0,0|0,0,2]=4 7285 B11R0.3 [13CH3]NCCCCCCCCCO 34a_100000078944_200025704644 [0,2,0,0,0,0|0,0,2]=4 7286 B11R0.3 [13CH3]NCCCOCCOCCO 2230a_100011996194_200025704644 [0,2,0,0,0,0|1,0,1]=4 7287 B11R0.3 [13CH3]NCCCOCCOCCO 34a_100011996194_200025704644 [0,2,0,0,0,0|1,0,1]=4 7288 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [0,2,0,0,0,0|0,0,2]=4 7289 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [0,2,0,0,0,0|0,0,2]=4 7290 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [0,2,0,0,0,0|0,0,2]=4 7291 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [0,2,0,0,0,0|0,0,2]=4 7292 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [0,2,0,0,0,0|0,0,2]=4 7293 B11R0.3 [13CH3]SCCCCCCCCCO 62a_100009813782_200025704644 [0,2,0,0,0,0|0,0,2]=4 7294 B11R0.3 [13CH3]SCCCCCCCCCO 62a_200025704644_100009813782 [0,2,0,0,0,0|0,0,2]=4 7295 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000212188_100000731252 [0,2,0,0,0,0|1,0,1]=4 7296 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000690238_100000210326 [0,2,0,0,0,0|1,0,1]=4 7297 B11R0.140 C#CCCNC(=O)CCCCC 11a_100000755551_100000212188 [0,2,0,0,0,0|2,0,0]=4 7298 B11R0.140 C#CCCNC(=O)CCCCC 1626a_100000755551_100000212188 [0,2,0,0,0,0|2,0,0]=4 7299 B11R0.140 C#CCCNC(=O)CCCCC 240690a_100000755551_100000212188 [0,2,0,0,0,0|2,0,0]=4 7300 B11R0.140 C#CCCNC(=O)CCCCC 527a_100000755551_100000212188 [0,2,0,0,0,0|2,0,0]=4 7301 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [0,2,0,0,0,0|1,0,1]=4 7302 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [0,2,0,0,0,0|1,0,1]=4 7303 B11R0.140 C=CCCNC(=O)CCCCC 11a_100015191253_100000212188 [0,2,0,0,0,0|2,0,0]=4 7304 B11R0.140 C=CCCNC(=O)CCCCC 1626a_100015191253_100000212188 [0,2,0,0,0,0|2,0,0]=4 7305 B11R0.140 C=CCCNC(=O)CCCCC 240690a_100015191253_100000212188 [0,2,0,0,0,0|2,0,0]=4 7306 B11R0.140 C=CCCNC(=O)CCCCC 527a_100015191253_100000212188 [0,2,0,0,0,0|2,0,0]=4 7307 B11R0.140 CC/C=C/CC(=O)CCCCC 1458a_100016274230_100000210326 [0,2,0,0,0,0|1,0,1]=4 7308 B11R0.140 CC/C=C\CC(=O)CCCCC 1458a_100000212188_100103147603 [0,2,0,0,0,0|1,0,1]=4 7309 B11R0.140 CCCC#CC(=O)CCCCC 1458a_200011218047_100000210326 [0,2,0,0,0,0|1,0,1]=4 7310 B11R0.140 CCCC=CC(=O)CCCCC 1458a_100000212230_100000210326 [0,2,0,0,0,0|1,0,0]=3 7311 B11R0.140 CCCC=CC(=O)CCCCF 1458a_100000212230_100000729493 [0,2,0,0,0,0|1,0,1]=4 7312 B11R0.140 CCCC=CC(=O)CCCCO 1458a_100000212230_100000210776 [0,2,0,0,0,0|1,0,1]=4 7313 B11R0.140 CCCC=CC(=O)CCCOC 1458a_100000212230_100000740836 [0,2,0,0,0,0|1,0,1]=4 7314 B11R0.140 CCCC=CC(=O)CCOCC 1458a_100000212230_100011215890 [0,2,0,0,0,0|1,0,1]=4 7315 B11R0.140 CCCC=CC(=O)CCSCC 1458a_100000212230_100000757381 [0,2,0,0,0,0|1,0,1]=4 7316 B11R0.140 CCCC=CC(=O)NCCCC 11a_100000102301_100000212230 [0,2,0,0,0,0|1,0,1]=4 7317 B11R0.140 CCCC=CC(=O)NCCCC 1626a_100000102301_100000212230 [0,2,0,0,0,0|1,0,1]=4 7318 B11R0.140 CCCC=CC(=O)NCCCC 240690a_100000102301_100000212230 [0,2,0,0,0,0|1,0,1]=4 7319 B11R0.140 CCCCCC(=NNCCC)C 4a_100000740057_100000211708 [0,2,0,0,0,0|2,0,0]=4 7320 B11R0.140 CCCCCC(=NNCCO)C 4a_100000210001_100000211708 [0,2,0,0,0,0|1,0,0]=3 7321 B11R0.140 CCCCCC(=O)C=CCOC 1458a_100016285016_100000210326 [0,2,0,0,0,0|0,0,1]=3 7322 B11R0.140 CCCCCC(=O)C=COCC 1458a_100016266692_100000210326 [0,2,0,0,0,0|1,0,1]=4 7323 B11R0.140 CCCCCC(=O)CC#CCO 1458a_100000212188_200000047223 [0,2,0,0,0,0|0,0,2]=4 7324 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000075515_100000210326 [0,2,0,0,0,0|1,0,1]=4 7325 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000212188_100000211468 [0,2,0,0,0,0|1,0,1]=4 7326 B11R0.140 CCCCCC(=O)CCCCC 1458a_100000212188_100000210326 [0,2,0,0,0,0|1,0,1]=4 7327 B11R0.140 CCCCCC(=O)CCCCF 1458a_100000212188_100000729493 [0,2,0,0,0,0|1,0,1]=4 7328 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000212188_100000210776 [0,2,0,0,0,0|0,0,1]=3 7329 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000695505_100000210326 [0,2,0,0,0,0|0,0,1]=3 7330 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000212188_100000740836 [0,2,0,0,0,0|0,0,1]=3 7331 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000741012_100000210326 [0,2,0,0,0,0|0,0,1]=3 7332 B11R0.140 CCCCCC(=O)CCCSC 1458a_100000173376_100000210326 [0,2,0,0,0,0|0,1,1]=4 7333 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000212188_100011215890 [0,2,0,0,0,0|1,0,1]=4 7334 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000749530_100000210326 [0,2,0,0,0,0|1,0,1]=4 7335 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000212188_100000757381 [0,2,0,0,0,0|1,0,1]=4 7336 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000230768_100000210326 [0,2,0,0,0,0|1,0,1]=4 7337 B11R0.140 CCCCCC(=O)CNCCF 34a_100000724931_200012276598 [0,2,0,0,0,0|1,0,1]=4 7338 B11R0.140 CCCCCC(=O)CNCCO 2230a_100016997473_200012276598 [0,2,0,0,0,0|0,0,1]=3 7339 B11R0.140 CCCCCC(=O)CNCCO 34a_100016990907_200012276598 [0,2,0,0,0,0|0,0,1]=3 7340 B11R0.140 CCCCCC(=O)COCCBr 34a_100000211926_200012276598 [0,2,0,0,0,0|1,0,1]=4 7341 B11R0.140 CCCCCC(=O)COCCC 1458a_100000745993_100000210326 [0,2,0,0,0,0|1,0,1]=4 7342 B11R0.140 CCCCCC(=O)COCCC 34a_100000210258_200012276598 [0,2,0,0,0,0|1,0,1]=4 7343 B11R0.140 CCCCCC(=O)COCCN 34a_100000210304_200012276598 [0,2,0,0,0,0|1,0,1]=4 7344 B11R0.140 CCCCCC(=O)COCCO 1458a_100000708028_100000210326 [0,2,0,0,0,0|0,0,1]=3 7345 B11R0.140 CCCCCC(=O)CSCCC 1458a_100000217233_100000210326 [0,2,0,0,0,0|1,0,1]=4 7346 B11R0.140 CCCCCC(=O)CSCCC 62a_100000210303_200012276598 [0,2,0,0,0,0|1,0,1]=4 7347 B11R0.140 CCCCCC(=O)CSCCC 62a_200012276598_100000210303 [0,2,0,0,0,0|1,0,1]=4 7348 B11R0.140 CCCCCC(=O)CSCCF 62a_100011217306_200012276598 [0,2,0,0,0,0|1,0,1]=4 7349 B11R0.140 CCCCCC(=O)CSCCF 62a_200012276598_100011217306 [0,2,0,0,0,0|1,0,1]=4 7350 B11R0.140 CCCCCC(=O)CSCCO 62a_100000211926_200012276598 [0,2,0,0,0,0|0,0,1]=3 7351 B11R0.140 CCCCCC(=O)CSCCO 62a_200012276598_100000211926 [0,2,0,0,0,0|0,0,1]=3 7352 B11R0.140 CCCCCC(=O)CSCOC 62a_100000766300_200012276598 [0,2,0,0,0,0|1,0,1]=4 7353 B11R0.140 CCCCCC(=O)CSCOC 62a_200012276598_100000766300 [0,2,0,0,0,0|1,0,1]=4 7354 B11R0.140 CCCCCC(=O)NCCC#N 11a_100000720768_100000212188 [0,2,0,0,0,0|2,0,0]=4 7355 B11R0.140 CCCCCC(=O)NCCC#N 1626a_100000720768_100000212188 [0,2,0,0,0,0|2,0,0]=4 7356 B11R0.140 CCCCCC(=O)NCCC#N 240690a_100000720768_100000212188 [0,2,0,0,0,0|2,0,0]=4 7357 B11R0.140 CCCCCC(=O)NCCC#N 527a_100000720768_100000212188 [0,2,0,0,0,0|2,0,0]=4 7358 B11R0.140 CCCCCC(=O)NCCCC 11a_100000102301_100000212188 [0,2,0,0,0,0|1,0,1]=4 7359 B11R0.140 CCCCCC(=O)NCCCC 1626a_100000102301_100000212188 [0,2,0,0,0,0|1,0,1]=4 7360 B11R0.140 CCCCCC(=O)NCCCC 240690a_100000102301_100000212188 [0,2,0,0,0,0|1,0,1]=4 7361 B11R0.140 CCCCCC(=O)NCCCC 527a_100000102301_100000212188 [0,2,0,0,0,0|1,0,1]=4 7362 B11R0.140 CCCCCC(=O)NCCCF 11a_100015189416_100000212188 [0,2,0,0,0,0|1,0,1]=4 7363 B11R0.140 CCCCCC(=O)NCCCF 1626a_100015189416_100000212188 [0,2,0,0,0,0|1,0,1]=4 7364 B11R0.140 CCCCCC(=O)NCCCF 240690a_100015189416_100000212188 [0,2,0,0,0,0|1,0,1]=4 7365 B11R0.140 CCCCCC(=O)NCCCF 527a_100015189416_100000212188 [0,2,0,0,0,0|1,0,1]=4 7366 B11R0.140 CCCCCC(=O)NCCCO 240690a_100000182051_100000212188 [0,2,0,0,0,0|0,0,1]=3 7367 B11R0.140 CCCCCC(=O)NCCCO 527a_100000182051_100000212188 [0,2,0,0,0,0|0,0,1]=3 7368 B11R0.140 CCCCCC(=O)NCCOC 1626a_100000209980_100000212188 [0,2,0,0,0,0|1,0,0]=3 7369 B11R0.140 CCCCCC(=O)NCCOC 240690a_100000209980_100000212188 [0,2,0,0,0,0|1,0,0]=3 7370 B11R0.140 CCCCCC(=O)NCCOC 527a_100000209980_100000212188 [0,2,0,0,0,0|1,0,0]=3 7371 B11R0.140 CCCCCC(=O)NCCSC 11a_100020590264_100000212188 [0,2,0,0,0,0|1,1,0]=4 7372 B11R0.140 CCCCCC(=O)NCCSC 1626a_100020590264_100000212188 [0,2,0,0,0,0|1,1,0]=4 7373 B11R0.140 CCCCCC(=O)NCCSC 240690a_100020590264_100000212188 [0,2,0,0,0,0|1,1,0]=4 7374 B11R0.140 CCCCCC(=O)NCCSC 527a_100020590264_100000212188 [0,2,0,0,0,0|1,1,0]=4 7375 B11R0.140 CCCCCC(=O)NNCCC 22a_100000740057_100000212188 [0,2,0,0,0,0|2,0,0]=4 7376 B11R0.140 CCCCCC(=O)NNCCO 22a_100000210001_100000212188 [0,2,0,0,0,0|1,0,0]=3 7377 B11R0.140 CCCCCC(C)NCCCO 2230a_100000211957_100000230001 [0,2,0,0,0,0|0,0,2]=4 7378 B11R0.140 CCCCCC(C)NCCCO 270004a_100000182051_100000211708 [0,2,0,0,0,0|0,0,2]=4 7379 B11R0.140 CCCCCC(C)NCCOC 2230a_100000209980_200011218191 [0,2,0,0,0,0|1,0,1]=4 7380 B11R0.140 CCCCCC(C)NCCOC 2230a_100000211957_100011201679 [0,2,0,0,0,0|1,0,1]=4 7381 B11R0.140 CCCCCC(C)NCCOC 270004a_100000209980_100000211708 [0,2,0,0,0,0|1,0,1]=4 7382 B11R0.140 CCCCCC(C)OCCCO 34a_100011215632_100000230001 [0,2,0,0,0,0|0,0,2]=4 7383 B11R0.140 CCCCCC(C)OCCCO 7a_100011215632_100011215043 [0,2,0,0,0,0|0,0,2]=4 7384 B11R0.140 CCCCCC(C)OCCOC 34a_100000210237_200011218191 [0,2,0,0,0,0|1,0,1]=4 7385 B11R0.140 CCCCCC(C)OCCOC 34a_100011215632_100011201679 [0,2,0,0,0,0|1,0,1]=4 7386 B11R0.140 CCCCCC(C)OCCOC 7a_100011215632_100000233755 [0,2,0,0,0,0|1,0,1]=4 7387 B11R0.140 CCCCCC(C)OCCON 34a_100000700252_200011218191 [0,2,0,0,0,0|1,0,1]=4 7388 B11R0.140 CCCCCC(C)SCCCO 62a_100011215043_200011218191 [0,2,0,0,0,0|0,0,2]=4 7389 B11R0.140 CCCCCC(C)SCCCO 62a_200011218191_100011215043 [0,2,0,0,0,0|0,0,2]=4 7390 B11R0.140 CCCCCC(C)SCCOC 62a_100000233755_200011218191 [0,2,0,0,0,0|1,0,1]=4 7391 B11R0.140 CCCCCC(C)SCCOC 62a_200011218191_100000233755 [0,2,0,0,0,0|1,0,1]=4 7392 B11R0.140 CCCCCN(C)CCCCO 2230a_100000223495_100000210776 [0,2,0,0,0,0|0,0,2]=4 7393 B11R0.140 CCCCCN(C)CCCCO 2230a_100000717598_100000210326 [0,2,0,0,0,0|0,0,2]=4 7394 B11R0.140 CCCCCN(C)CCCCO 269982a_100000223495_100000210776 [0,2,0,0,0,0|0,0,2]=4 7395 B11R0.140 CCCCCN(C)CCCCO 269982a_100000717598_100000210215 [0,2,0,0,0,0|0,0,2]=4 7396 B11R0.140 CCCCCN(C)CCCOC 2230a_100000223495_100000740836 [0,2,0,0,0,0|1,0,1]=4 7397 B11R0.140 CCCCCN(C)CCCOC 2230a_100000224831_100000210326 [0,2,0,0,0,0|1,0,1]=4 7398 B11R0.140 CCCCCN(C)CCCOC 269982a_100000223495_100000740836 [0,2,0,0,0,0|1,0,1]=4 7399 B11R0.140 CCCCCN(C)CCCOC 269982a_100000224831_100000210215 [0,2,0,0,0,0|1,0,1]=4 7400 B11R0.140 CCCCNC(=O)C=CCOC 11a_100000102301_100016285016 [0,2,0,0,0,0|1,0,1]=4 7401 B11R0.140 CCCCNC(=O)C=CCOC 1626a_100000102301_100016285016 [0,2,0,0,0,0|1,0,1]=4 7402 B11R0.140 CCCCNC(=O)C=CCOC 240690a_100000102301_100016285016 [0,2,0,0,0,0|1,0,1]=4 7403 B11R0.140 CCCCNC(=O)CCCCO 1626a_100000102301_100000695505 [0,2,0,0,0,0|1,0,1]=4 7404 B11R0.140 CCCCNC(=O)CCCOC 11a_100000102301_100000741012 [0,2,0,0,0,0|1,0,1]=4 7405 B11R0.140 CCCCNC(=O)CCCOC 1626a_100000102301_100000741012 [0,2,0,0,0,0|1,0,1]=4 7406 B11R0.140 CCCCNC(=O)CCCOC 240690a_100000102301_100000741012 [0,2,0,0,0,0|1,0,1]=4 7407 B11R0.140 CCCCNC(=O)CCCOC 527a_100000102301_100000741012 [0,2,0,0,0,0|1,0,1]=4 7408 B11R0.140 CCCCNC(=O)CNCCO 2230a_100016997473_100000182744 [0,2,0,0,0,0|1,0,1]=4 7409 B11R0.140 CCCCNC(=O)CNCCO 34a_100016990907_100000182744 [0,2,0,0,0,0|1,0,1]=4 7410 B11R0.140 CCCCNC(=O)COCCO 1626a_100000102301_100000708028 [0,2,0,0,0,0|1,0,1]=4 7411 B11R0.140 CCCCNC(=O)COCCO 240690a_100000102301_100000708028 [0,2,0,0,0,0|1,0,1]=4 7412 B11R0.140 CCCCNC(=O)CSCCO 62a_100000182744_100000211926 [0,2,0,0,0,0|1,0,1]=4 7413 B11R0.140 CCCCNC(=O)CSCCO 62a_100000211926_100000182744 [0,2,0,0,0,0|1,0,1]=4 7414 B11R0.140 CCCCNC(=O)NCCCO 2708a_100000102301_100000182051 [0,2,0,0,0,0|1,0,1]=4 7415 B11R0.140 CCCCNC(=O)NCCCO 273464a_100000102301_100000182051 [0,2,0,0,0,0|1,0,1]=4 7416 B11R0.140 CCCCNC(=O)NCCCO 273464a_100000182051_100000102301 [0,2,0,0,0,0|1,0,1]=4 7417 B11R0.140 CCCCNC(=O)NCCCO 512a_100000102301_100000182051 [0,2,0,0,0,0|1,0,1]=4 7418 B11R0.140 CCCCNC(=O)NCCOC 2708a_100000102301_100000209980 [0,2,0,0,0,0|2,0,0]=4 7419 B11R0.140 CCCCNC(=O)NCCOC 273464a_100000102301_100000209980 [0,2,0,0,0,0|2,0,0]=4 7420 B11R0.140 CCCCNC(=O)NCCOC 273464a_100000209980_100000102301 [0,2,0,0,0,0|2,0,0]=4 7421 B11R0.140 CCCCNC(=O)NNCCO 273464a_100000102301_100000210001 [0,2,0,0,0,0|2,0,0]=4 7422 B11R0.140 CCCCNC(=O)NNCCO 512a_100000102301_100000210001 [0,2,0,0,0,0|2,0,0]=4 7423 B11R0.140 CCCCOC(=O)CNCCO 2230a_100016997473_100000211628 [0,2,0,0,0,0|1,0,1]=4 7424 B11R0.140 CCCCOC(=O)CNCCO 34a_100016990907_100000211628 [0,2,0,0,0,0|1,0,1]=4 7425 B11R0.140 CCCCOC(=O)CSCCO 62a_100000211628_100000211926 [0,2,0,0,0,0|1,0,1]=4 7426 B11R0.140 CCCCOC(=O)CSCCO 62a_100000211926_100000211628 [0,2,0,0,0,0|1,0,1]=4 7427 B11R0.140 CCCNCC(=O)NCCOC 2230a_100000754632_100000210303 [0,2,0,0,0,0|2,0,0]=4 7428 B11R0.140 CCCOCC(=O)CCCCO 1458a_100000745993_100000210776 [0,2,0,0,0,0|1,0,1]=4 7429 B11R0.140 CCCOCC(=O)CCCOC 1458a_100000745993_100000740836 [0,2,0,0,0,0|1,0,1]=4 7430 B11R0.140 CCCOCC(=O)NCCCO 240690a_100000182051_100000745993 [0,2,0,0,0,0|1,0,1]=4 7431 B11R0.140 CCCOCC(=O)NCCCO 527a_100000182051_100000745993 [0,2,0,0,0,0|1,0,1]=4 7432 B11R0.140 CCCOCC(=O)NCCOC 1626a_100000209980_100000745993 [0,2,0,0,0,0|2,0,0]=4 7433 B11R0.140 CCCOCC(=O)NCCOC 240690a_100000209980_100000745993 [0,2,0,0,0,0|2,0,0]=4 7434 B11R0.140 CCCOCC(=O)NCCOC 34a_100000210258_100000183275 [0,2,0,0,0,0|2,0,0]=4 7435 B11R0.140 CCCOCC(=O)NCCOC 527a_100000209980_100000745993 [0,2,0,0,0,0|2,0,0]=4 7436 B11R0.140 CCCOCC(=O)NNCCO 22a_100000210001_100000745993 [0,2,0,0,0,0|2,0,0]=4 7437 B11R0.140 CCCOCC(=O)OCCOC 34a_100000210258_200000040189 [0,2,0,0,0,0|2,0,0]=4 7438 B11R0.140 CCCSCC(=NNCCO)C 4a_100000210001_100011343953 [0,2,0,0,0,0|2,0,0]=4 7439 B11R0.140 CCCSCC(=O)CCCCO 1458a_100000217233_100000210776 [0,2,0,0,0,0|1,0,1]=4 7440 B11R0.140 CCCSCC(=O)CCCOC 1458a_100000217233_100000740836 [0,2,0,0,0,0|1,0,1]=4 7441 B11R0.140 CCCSCC(=O)NCCCO 240690a_100000182051_100000217233 [0,2,0,0,0,0|1,0,1]=4 7442 B11R0.140 CCCSCC(=O)NCCCO 527a_100000182051_100000217233 [0,2,0,0,0,0|1,0,1]=4 7443 B11R0.140 CCCSCC(=O)NCCOC 1626a_100000209980_100000217233 [0,2,0,0,0,0|2,0,0]=4 7444 B11R0.140 CCCSCC(=O)NCCOC 240690a_100000209980_100000217233 [0,2,0,0,0,0|2,0,0]=4 7445 B11R0.140 CCCSCC(=O)NCCOC 527a_100000209980_100000217233 [0,2,0,0,0,0|2,0,0]=4 7446 B11R0.140 CCCSCC(=O)NCCOC 62a_100000183275_100000210303 [0,2,0,0,0,0|2,0,0]=4 7447 B11R0.140 CCCSCC(=O)NCCOC 62a_100000210303_100000183275 [0,2,0,0,0,0|2,0,0]=4 7448 B11R0.140 CCCSCC(=O)NNCCO 22a_100000210001_100000217233 [0,2,0,0,0,0|2,0,0]=4 7449 B11R0.140 CCCSCC(=O)OCCOC 62a_100000210303_200000040189 [0,2,0,0,0,0|2,0,0]=4 7450 B11R0.140 CCCSCC(=O)OCCOC 62a_200000040189_100000210303 [0,2,0,0,0,0|2,0,0]=4 7451 B11R0.140 CCCSCC(C)NCCCO 270004a_100000182051_100011343953 [0,2,0,0,0,0|1,0,1]=4 7452 B11R0.140 CCOCCC(=NNCCO)C 4a_100000210001_200011216536 [0,2,0,0,0,0|2,0,0]=4 7453 B11R0.140 CCOCCC(=O)C=CCOC 1458a_100016285016_100011215890 [0,2,0,0,0,0|1,0,1]=4 7454 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000695505_100011215890 [0,2,0,0,0,0|1,0,1]=4 7455 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000749530_100000210776 [0,2,0,0,0,0|1,0,1]=4 7456 B11R0.140 CCOCCC(=O)CCCOC 1458a_100000741012_100011215890 [0,2,0,0,0,0|1,0,1]=4 7457 B11R0.140 CCOCCC(=O)CCCOC 1458a_100000749530_100000740836 [0,2,0,0,0,0|1,0,1]=4 7458 B11R0.140 CCOCCC(=O)COCCO 1458a_100000708028_100011215890 [0,2,0,0,0,0|1,0,1]=4 7459 B11R0.140 CCOCCC(=O)NCCCO 240690a_100000182051_100000749530 [0,2,0,0,0,0|1,0,1]=4 7460 B11R0.140 CCOCCC(=O)NCCCO 527a_100000182051_100000749530 [0,2,0,0,0,0|1,0,1]=4 7461 B11R0.140 CCOCCC(=O)NCCOC 1626a_100000209980_100000749530 [0,2,0,0,0,0|2,0,0]=4 7462 B11R0.140 CCOCCC(=O)NCCOC 240690a_100000209980_100000749530 [0,2,0,0,0,0|2,0,0]=4 7463 B11R0.140 CCOCCC(=O)NCCOC 527a_100000209980_100000749530 [0,2,0,0,0,0|2,0,0]=4 7464 B11R0.140 CCOCCC(=O)NNCCO 22a_100000210001_100000749530 [0,2,0,0,0,0|2,0,0]=4 7465 B11R0.140 CCOCCC(C)NCCCO 270004a_100000182051_200011216536 [0,2,0,0,0,0|1,0,1]=4 7466 B11R0.140 CCSCCC(=O)C=CCOC 1458a_100016285016_100000757381 [0,2,0,0,0,0|1,0,1]=4 7467 B11R0.140 CCSCCC(=O)CCCCO 1458a_100000230768_100000210776 [0,2,0,0,0,0|1,0,1]=4 7468 B11R0.140 CCSCCC(=O)CCCCO 1458a_100000695505_100000757381 [0,2,0,0,0,0|1,0,1]=4 7469 B11R0.140 CCSCCC(=O)CCCOC 1458a_100000230768_100000740836 [0,2,0,0,0,0|1,0,1]=4 7470 B11R0.140 CCSCCC(=O)CCCOC 1458a_100000741012_100000757381 [0,2,0,0,0,0|1,0,1]=4 7471 B11R0.140 CCSCCC(=O)COCCO 1458a_100000708028_100000757381 [0,2,0,0,0,0|1,0,1]=4 7472 B11R0.140 CCSCCC(=O)NCCCO 240690a_100000182051_100000230768 [0,2,0,0,0,0|1,0,1]=4 7473 B11R0.140 CCSCCC(=O)NCCCO 527a_100000182051_100000230768 [0,2,0,0,0,0|1,0,1]=4 7474 B11R0.140 CCSCCC(=O)NCCOC 1626a_100000209980_100000230768 [0,2,0,0,0,0|2,0,0]=4 7475 B11R0.140 CCSCCC(=O)NCCOC 240690a_100000209980_100000230768 [0,2,0,0,0,0|2,0,0]=4 7476 B11R0.140 CCSCCC(=O)NCCOC 527a_100000209980_100000230768 [0,2,0,0,0,0|2,0,0]=4 7477 B11R0.140 CCSCCC(=O)NNCCO 22a_100000210001_100000230768 [0,2,0,0,0,0|2,0,0]=4 7478 B11R0.140 COCC=CC(=O)CCCCF 1458a_100016285016_100000729493 [0,2,0,0,0,0|1,0,1]=4 7479 B11R0.140 COCC=CC(=O)CCCCO 1458a_100016285016_100000210776 [0,2,0,0,0,0|1,0,1]=4 7480 B11R0.140 COCC=CC(=O)CCCOC 1458a_100016285016_100000740836 [0,2,0,0,0,0|1,0,1]=4 7481 B11R0.140 COCCCC(=O)CCCCF 1458a_100000741012_100000729493 [0,2,0,0,0,0|1,0,1]=4 7482 B11R0.140 COCCCC(=O)CCCCO 1458a_100000695505_100000740836 [0,2,0,0,0,0|1,0,1]=4 7483 B11R0.140 COCCCC(=O)CCCCO 1458a_100000741012_100000210776 [0,2,0,0,0,0|1,0,1]=4 7484 B11R0.140 COCCCC(=O)CCCOC 1458a_100000741012_100000740836 [0,2,0,0,0,0|1,0,1]=4 7485 B11R0.140 COCCCC(=O)CCCSC 1458a_100000173376_100000740836 [0,2,0,0,0,0|1,0,1]=4 7486 B11R0.140 COCCCC(=O)COCCO 1458a_100000708028_100000740836 [0,2,0,0,0,0|1,0,1]=4 7487 B11R0.140 COCCCC(=O)NCCCO 240690a_100000182051_100000741012 [0,2,0,0,0,0|1,0,1]=4 7488 B11R0.140 COCCCC(=O)NCCCO 527a_100000182051_100000741012 [0,2,0,0,0,0|1,0,1]=4 7489 B11R0.140 COCCCC(=O)NCCOC 1626a_100000209980_100000741012 [0,2,0,0,0,0|2,0,0]=4 7490 B11R0.140 COCCCC(=O)NCCOC 240690a_100000209980_100000741012 [0,2,0,0,0,0|2,0,0]=4 7491 B11R0.140 COCCCC(=O)NCCOC 527a_100000209980_100000741012 [0,2,0,0,0,0|2,0,0]=4 7492 B11R0.140 COCCCC(=O)NNCCO 22a_100000210001_100000741012 [0,2,0,0,0,0|2,0,0]=4 7493 B11R0.140 COCCCC(C)OCCCO 34a_200011539412_100000230001 [0,2,0,0,0,0|1,0,1]=4 7494 B11R0.140 COCCCC(C)OCCCO 7a_200011539412_100011215043 [0,2,0,0,0,0|1,0,1]=4 7495 B11R0.140 COCCNC(=O)CCCCO 1626a_100000209980_100000695505 [0,2,0,0,0,0|2,0,0]=4 7496 B11R0.140 COCCNC(=O)CCCSC 1626a_100000209980_100000173376 [0,2,0,0,0,0|2,0,0]=4 7497 B11R0.140 COCCNC(=O)CCCSC 240690a_100000209980_100000173376 [0,2,0,0,0,0|2,0,0]=4 7498 B11R0.140 COCCNC(=O)CCCSC 527a_100000209980_100000173376 [0,2,0,0,0,0|2,0,0]=4 7499 B11R0.140 CSCCCC(=NNCCO)C 4a_100000210001_100011399439 [0,2,0,0,0,0|2,0,0]=4 7500 B11R0.140 CSCCCC(=O)CCCCO 1458a_100000173376_100000210776 [0,2,0,0,0,0|1,0,1]=4 7501 B11R0.140 CSCCCC(=O)NCCCO 240690a_100000182051_100000173376 [0,2,0,0,0,0|1,0,1]=4 7502 B11R0.140 CSCCCC(=O)NCCCO 527a_100000182051_100000173376 [0,2,0,0,0,0|1,0,1]=4 7503 B11R0.140 CSCCCC(=O)NNCCO 22a_100000210001_100000173376 [0,2,0,0,0,0|2,0,0]=4 7504 B11R0.140 CSCCCC(C)NCCCO 270004a_100000182051_100011399439 [0,2,0,0,0,0|1,0,1]=4 7505 B11R0.140 NCCCC[C@H](N)COCCO 34a_100016993712_100000211926 [0,2,0,0,0,0|1,0,1]=4 7506 B11R0.140 O=C(CCCCF)COCCO 1458a_100000708028_100000729493 [0,2,0,0,0,0|1,0,1]=4 7507 B11R0.140 O=C(CCCCO)CCCCF 1458a_100000695505_100000729493 [0,2,0,0,0,0|1,0,1]=4 7508 B11R0.140 O=C(CCCCO)CCCCO 1458a_100000695505_100000210776 [0,2,0,0,0,0|1,0,1]=4 7509 B11R0.140 O=C(CCCCO)COCCO 1458a_100000708028_100000210776 [0,2,0,0,0,0|1,0,1]=4 7510 B11R0.49 CCC/C=C/COC(C)(C)CC 7a_100016278788_100000210677 [0,2,0,0,0,0|2,0,0]=4 7511 B11R0.49 CCCCCCNC(C)(C)CO 2230a_100000210608_100000210314 [0,2,0,0,0,0|1,0,1]=4 7512 B11R0.49 CCCCCCSC(F)(F)CO 62a_100000210314_100011217949 [0,2,0,0,0,0|1,0,1]=4 7513 B11R0.49 CCCCCCSC(F)(F)CO 62a_100011217949_100000210757 [0,2,0,0,0,0|1,0,1]=4 7514 B11R0.49 CCCCCNCC(C)(C)CO 2230a_100020635058_100000210326 [0,2,0,0,0,0|1,0,1]=4 7515 B11R0.49 CCCCCOCC(C)(C)CO 34a_100000210253_100009813988 [0,2,0,0,0,0|1,0,1]=4 7516 B11R0.49 CCCCCOCC(C)(C)CO 7a_100000210253_100009813988 [0,2,0,0,0,0|1,0,1]=4 7517 B11R0.49 CCCCCSCC(C)(C)CO 62a_100000210326_100009813988 [0,2,0,0,0,0|1,0,1]=4 7518 B11R0.49 CCCCCSCC(C)(C)CO 62a_100009813988_100000210326 [0,2,0,0,0,0|1,0,1]=4 7519 B11R0.70 CCC(C)CCC(=O)CCCF 1458a_100000701222_100011934791 [0,2,0,0,0,0|1,0,1]=4 7520 B11R0.70 CCC(C)CCC(=O)CCCO 1458a_100000701222_100011215043 [0,2,0,0,0,0|0,0,1]=3 7521 B11R0.70 CCC(C)CCC(=O)NCCF 11a_100000724931_100000701222 [0,2,0,0,0,0|2,0,0]=4 7522 B11R0.70 CCC(C)CCC(=O)NCCF 1626a_100000724931_100000701222 [0,2,0,0,0,0|2,0,0]=4 7523 B11R0.70 CCC(C)CCC(=O)NCCF 240690a_100000724931_100000701222 [0,2,0,0,0,0|2,0,0]=4 7524 B11R0.70 CCC(C)CCC(=O)NCCF 527a_100000724931_100000701222 [0,2,0,0,0,0|2,0,0]=4 7525 B11R0.70 CCC(C)CCC(=O)NCCO 240690a_100000210304_100000701222 [0,2,0,0,0,0|1,0,0]=3 7526 B11R0.70 CCC(C)CCC(=O)NCCO 527a_100000210304_100000701222 [0,2,0,0,0,0|1,0,0]=3 7527 B11R0.70 CCC(C)CCC(C)OCCO 7a_200011216552_100000211926 [0,2,0,0,0,0|1,0,1]=4 7528 B11R0.70 CCC(C)CNC(=O)NCCO 2708a_100020588543_100000210304 [0,2,0,0,0,0|2,0,0]=4 7529 B11R0.70 CCC(C)CNC(=O)NCCO 273464a_100000210304_100020588543 [0,2,0,0,0,0|2,0,0]=4 7530 B11R0.70 CCC(C)CNC(=O)NCCO 273464a_100020588543_100000210304 [0,2,0,0,0,0|2,0,0]=4 7531 B11R0.70 CCC(C)CNC(=O)NCCO 512a_100020588543_100000210304 [0,2,0,0,0,0|2,0,0]=4 7532 B11R0.70 CCC(O)CCC(=O)NCCF 1626a_100000724931_203496584001 [0,2,0,0,0,0|2,0,0]=4 7533 B11R0.70 CCC(O)CCC(=O)NCCF 240690a_100000724931_203496584001 [0,2,0,0,0,0|2,0,0]=4 7534 B11R0.70 CCC(O)CCC(=O)NCCO 240690a_100000210304_203496584001 [0,2,0,0,0,0|1,0,0]=3 7535 B11R0.70 CCC(O)CNC(=O)NCCO 273464a_100000210304_100011218483 [0,2,0,0,0,0|2,0,0]=4 7536 B11R0.70 CCC(O)CNC(=O)NCCO 273464a_100011218483_100000210304 [0,2,0,0,0,0|2,0,0]=4 7537 B11R0.70 CCC(O)CNC(=O)NCCO 512a_100011218483_100000210304 [0,2,0,0,0,0|2,0,0]=4 7538 B11R0.70 CCCCC(=O)CCC(C)CC 1458a_100000701222_100000210211 [0,2,0,0,0,0|1,0,1]=4 7539 B11R0.70 CCCCC(C)COC(C)CO 34a_100011995851_100012180447 [0,2,0,0,0,0|1,0,1]=4 7540 B11R0.70 CCCCC(C)COC(C)CO 7a_100011995851_100012180447 [0,2,0,0,0,0|1,0,1]=4 7541 B11R0.70 CCCCC(C)NCC(C)CO 34a_100000744482_200011215066 [0,2,0,0,0,0|1,0,1]=4 7542 B11R0.70 CCCCC(C)NCC(O)CO 2230a_100000126638_100011219619 [0,2,0,0,0,0|1,0,1]=4 7543 B11R0.70 CCCCC(C)NC[C@@H](C)CO 2230a_100000126638_100000059175 [0,2,0,0,0,0|1,0,1]=4 7544 B11R0.70 CCCCC(C)NC[C@@H](F)CO 270004a_100015665980_100000210087 [0,2,0,0,0,0|1,0,1]=4 7545 B11R0.70 CCCCC(C)NC[C@@H](F)CO 34a_100015665980_200011215066 [0,2,0,0,0,0|1,0,1]=4 7546 B11R0.70 CCCCC(C)NC[C@@H](O)CO 2230a_100000126638_100009815848 [0,2,0,0,0,0|1,0,1]=4 7547 B11R0.70 CCCCC(C)NC[C@H](O)CO 2230a_100020644852_200011215066 [0,2,0,0,0,0|1,0,1]=4 7548 B11R0.70 CCCCC(C)OCC(O)CO 34a_100000687866_100011219619 [0,2,0,0,0,0|1,0,1]=4 7549 B11R0.70 CCCCC(C)OCC(O)CO 7a_100000687866_100011219619 [0,2,0,0,0,0|1,0,1]=4 7550 B11R0.70 CCCCC(C)OC[C@@H](C)CO 34a_100000687866_100000059175 [0,2,0,0,0,0|1,0,1]=4 7551 B11R0.70 CCCCC(C)OC[C@@H](C)CO 7a_100000687866_100000059175 [0,2,0,0,0,0|1,0,1]=4 7552 B11R0.70 CCCCC(C)OC[C@@H](O)CO 34a_100000687866_100009815848 [0,2,0,0,0,0|1,0,1]=4 7553 B11R0.70 CCCCC(C)OC[C@@H](O)CO 7a_100000687866_100009815848 [0,2,0,0,0,0|1,0,1]=4 7554 B11R0.70 CCCCC(C)SCC(O)CO 62a_100011219619_200011215066 [0,2,0,0,0,0|1,0,1]=4 7555 B11R0.70 CCCCC(C)SCC(O)CO 62a_200011215066_100011219619 [0,2,0,0,0,0|1,0,1]=4 7556 B11R0.70 CCCCC(C)SC[C@@H](C)CO 62a_100000059175_200011215066 [0,2,0,0,0,0|1,0,1]=4 7557 B11R0.70 CCCCC(C)SC[C@@H](C)CO 62a_200011215066_100000059175 [0,2,0,0,0,0|1,0,1]=4 7558 B11R0.70 CCCCC(C)SC[C@@H](O)CO 62a_100009815848_200011215066 [0,2,0,0,0,0|1,0,1]=4 7559 B11R0.70 CCCCC(C)SC[C@@H](O)CO 62a_200011215066_100009815848 [0,2,0,0,0,0|1,0,1]=4 7560 B11R0.70 CCCC[C@H](N)COC(C)CO 34a_100011934283_100012180447 [0,2,0,0,0,0|1,0,1]=4 7561 B11R0.70 CCCNC(=O)CCC(C)CC 11a_100020643023_100000701222 [0,2,0,0,0,0|2,0,0]=4 7562 B11R0.70 CCCNC(=O)CCC(C)CC 1626a_100020643023_100000701222 [0,2,0,0,0,0|2,0,0]=4 7563 B11R0.70 CCCNC(=O)CCC(C)CC 240690a_100020643023_100000701222 [0,2,0,0,0,0|2,0,0]=4 7564 B11R0.70 CCCNC(=O)CCC(C)CC 527a_100020643023_100000701222 [0,2,0,0,0,0|2,0,0]=4 7565 B11R0.70 CCCNC(=O)CCC(O)CC 1626a_100020643023_203496584001 [0,2,0,0,0,0|2,0,0]=4 7566 B11R0.70 CCCNC(=O)CCC(O)CC 240690a_100020643023_203496584001 [0,2,0,0,0,0|2,0,0]=4 7567 B11R0.70 CCN(C)CCC(=O)CCCO 1458a_100000755305_100011215043 [0,2,0,0,0,0|1,0,1]=4 7568 B11R0.70 CCN(C)CCC(=O)NCCO 240690a_100000210304_100000755305 [0,2,0,0,0,0|2,0,0]=4 7569 B11R0.70 CCS(=O)CCC(=O)CCCO 1458a_100011387550_100011215043 [0,2,0,0,0,0|1,0,1]=4 7570 B11R0.70 CCS(=O)CCC(=O)NCCO 240690a_100000210304_100011387550 [0,2,0,0,0,0|2,0,0]=4 7571 B11R0.70 CCS(=O)CCC(=O)NCCO 527a_100000210304_100011387550 [0,2,0,0,0,0|2,0,0]=4 7572 B11R0.106 CCC(C)CCCOC(C)CO 7a_100011216074_100012180447 [0,2,0,0,0,0|1,0,1]=4 7573 B11R0.106 CCC(C)CCNCC(O)CO 2230a_100020591266_100011219619 [0,2,0,0,0,0|1,0,1]=4 7574 B11R0.106 CCC(C)CCNC[C@@H](C)CO 2230a_100020591266_100000059175 [0,2,0,0,0,0|1,0,1]=4 7575 B11R0.106 CCC(C)CCNC[C@@H](O)CO 2230a_100020591266_100009815848 [0,2,0,0,0,0|1,0,1]=4 7576 B11R0.106 CCC(C)CCOCC(O)CO 7a_100011215188_100011219619 [0,2,0,0,0,0|1,0,1]=4 7577 B11R0.106 CCC(C)CCOC[C@@H](C)CO 7a_100011215188_100000059175 [0,2,0,0,0,0|1,0,1]=4 7578 B11R0.106 CCC(C)CCOC[C@@H](O)CO 7a_100011215188_100009815848 [0,2,0,0,0,0|1,0,1]=4 7579 B11R0.106 CCC(O)CNN=CC(O)CO 4a_100015206393_100000033539 [0,2,0,0,0,0|2,0,0]=4 7580 B11R0.124 C=C[C@@H](CO)NCCCCCC 2230a_100016989147_100000210314 [0,2,0,0,0,0|1,0,1]=4 7581 B11R0.124 C=C[C@@H](CO)NCCCCCC 34a_100016989147_100000210314 [0,2,0,0,0,0|1,0,1]=4 7582 B11R0.124 CCC/C=C/COC(CC)CC 7a_100016278788_100000210505 [0,2,0,0,0,0|2,0,0]=4 7583 B11R0.124 CCCCCCNC(CO)CO 2230a_100000759517_100000210314 [0,2,0,0,0,0|1,0,1]=4 7584 B11R0.124 CCCCCCN[C@@H](CC)CO 2230a_100000709445_100000210314 [0,2,0,0,0,0|1,0,1]=4 7585 B11R0.154 CCC(C)CC(C)NCCCO 2230a_100000763565_100000230001 [0,2,0,0,0,0|1,0,1]=4 7586 B11R0.154 CCC(C)CC(C)NCCCO 270004a_100000182051_100011710205 [0,2,0,0,0,0|1,0,1]=4 7587 B11R0.154 CCCC=CC(=O)CC(C)CC 1458a_100000212230_100000748023 [0,2,0,0,0,0|1,0,1]=4 7588 B11R0.154 CCCC=CC(=O)CC(O)CC 1458a_100000212230_100011218378 [0,2,0,0,0,0|1,0,1]=4 7589 B11R0.154 CCCC=CC(=O)C[C@@H](C)CC 1458a_100000212230_100009816398 [0,2,0,0,0,0|1,0,1]=4 7590 B11R0.154 CCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210326 [0,2,0,0,0,0|1,0,1]=4 7591 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [0,2,0,0,0,0|0,0,2]=4 7592 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000212188_100000748023 [0,2,0,0,0,0|1,0,1]=4 7593 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000708755_100000210326 [0,2,0,0,0,0|1,0,1]=4 7594 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100000212188_100011218378 [0,2,0,0,0,0|1,0,1]=4 7595 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100011667805_100000210326 [0,2,0,0,0,0|1,0,1]=4 7596 B11R0.154 CCCCCC(=O)C[C@@H](C)CC 1458a_100000212188_100009816398 [0,2,0,0,0,0|1,0,1]=4 7597 B11R0.154 CCCCCC(=O)C[C@@H](C)CO 1458a_100000212188_100000059175 [0,2,0,0,0,0|0,0,1]=3 7598 B11R0.154 CCCCCC(=O)NC(C)CC 11a_100000209981_100000212188 [0,2,0,0,0,0|2,0,0]=4 7599 B11R0.154 CCCCCC(=O)NC(C)CC 1626a_100000209981_100000212188 [0,2,0,0,0,0|2,0,0]=4 7600 B11R0.154 CCCCCC(=O)NC(C)CC 240690a_100000209981_100000212188 [0,2,0,0,0,0|2,0,0]=4 7601 B11R0.154 CCCCCC(=O)NC(C)CC 527a_100000209981_100000212188 [0,2,0,0,0,0|2,0,0]=4 7602 B11R0.154 CCCCCC(=O)N[C@H](C)CF 11a_100102880703_100000212188 [0,2,0,0,0,0|2,0,0]=4 7603 B11R0.154 CCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000212188 [0,2,0,0,0,0|2,0,0]=4 7604 B11R0.154 CCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000212188 [0,2,0,0,0,0|2,0,0]=4 7605 B11R0.154 CCCCCC(=O)N[C@H](C)CF 527a_100102880703_100000212188 [0,2,0,0,0,0|2,0,0]=4 7606 B11R0.154 CCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000212188 [0,2,0,0,0,0|1,0,0]=3 7607 B11R0.154 CCCCCC(=O)N[C@H](C)CO 527a_100000737577_100000212188 [0,2,0,0,0,0|1,0,0]=3 7608 B11R0.154 CCCCCC(C)NC(C)CO 2230a_100000211957_100012180447 [0,2,0,0,0,0|1,0,1]=4 7609 B11R0.154 CCCCCC(C)N[C@H](C)CO 2230a_100000737577_200011218191 [0,2,0,0,0,0|1,0,1]=4 7610 B11R0.154 CCCCCC(C)N[C@H](C)CO 270004a_100000737577_100000211708 [0,2,0,0,0,0|1,0,1]=4 7611 B11R0.154 CCCCCC(C)OC(C)CO 34a_100011215632_100012180447 [0,2,0,0,0,0|1,0,1]=4 7612 B11R0.154 CCCCCC(C)OC(C)CO 7a_100011215632_100012180447 [0,2,0,0,0,0|1,0,1]=4 7613 B11R0.154 CCCCCC(C)SC(C)CO 62a_100012180447_200011218191 [0,2,0,0,0,0|1,0,1]=4 7614 B11R0.154 CCCCCC(C)S[C@H](C)CO 62a_100016084084_200011218191 [0,2,0,0,0,0|1,0,1]=4 7615 B11R0.154 CCCCCC(C)S[C@H](C)CO 62a_200011218191_100016084084 [0,2,0,0,0,0|1,0,1]=4 7616 B11R0.154 CCCCCN(C)CC(O)CO 2230a_100000223495_100011219619 [0,2,0,0,0,0|1,0,1]=4 7617 B11R0.154 CCCCCN(C)CC(O)CO 2230a_100011216503_100000210326 [0,2,0,0,0,0|1,0,1]=4 7618 B11R0.154 CCCCCN(C)CC(O)CO 269982a_100011216503_100000210215 [0,2,0,0,0,0|1,0,1]=4 7619 B11R0.154 CCCCCN(C)C[C@@H](C)CO 2230a_100000223495_100000059175 [0,2,0,0,0,0|1,0,1]=4 7620 B11R0.154 CCCCCN(C)C[C@@H](C)CO 269982a_100000223495_100000059175 [0,2,0,0,0,0|1,0,1]=4 7621 B11R0.154 CCCCCN(C)C[C@@H](O)CO 2230a_100000223495_100009815848 [0,2,0,0,0,0|1,0,1]=4 7622 B11R0.154 CCCCNC(=O)N[C@H](C)CO 2708a_100000102301_100000737577 [0,2,0,0,0,0|2,0,0]=4 7623 B11R0.154 CCCCNC(=O)N[C@H](C)CO 273464a_100000737577_100000102301 [0,2,0,0,0,0|2,0,0]=4 7624 B11R0.154 CCCCNC(=O)N[C@H](C)CO 512a_100000102301_100000737577 [0,2,0,0,0,0|2,0,0]=4 7625 B11R0.154 CCCCNC(=O)N[C@H](C)CO 512a_100000737577_100000102301 [0,2,0,0,0,0|2,0,0]=4 7626 B11R0.154 CCCOCC(=O)C[C@@H](C)CO 1458a_100000745993_100000059175 [0,2,0,0,0,0|1,0,1]=4 7627 B11R0.154 CCCOCC(=O)N[C@H](C)CO 240690a_100000737577_100000745993 [0,2,0,0,0,0|2,0,0]=4 7628 B11R0.154 CCCOCC(=O)N[C@H](C)CO 527a_100000737577_100000745993 [0,2,0,0,0,0|2,0,0]=4 7629 B11R0.154 CCCSCC(=O)C[C@@H](C)CO 1458a_100000217233_100000059175 [0,2,0,0,0,0|1,0,1]=4 7630 B11R0.154 CCCSCC(=O)N[C@H](C)CO 240690a_100000737577_100000217233 [0,2,0,0,0,0|2,0,0]=4 7631 B11R0.154 CCCSCC(=O)N[C@H](C)CO 527a_100000737577_100000217233 [0,2,0,0,0,0|2,0,0]=4 7632 B11R0.154 CCOCCC(=O)C[C@@H](C)CO 1458a_100000749530_100000059175 [0,2,0,0,0,0|1,0,1]=4 7633 B11R0.154 CCOCCC(=O)N[C@H](C)CO 240690a_100000737577_100000749530 [0,2,0,0,0,0|2,0,0]=4 7634 B11R0.154 CCOCCC(=O)N[C@H](C)CO 527a_100000737577_100000749530 [0,2,0,0,0,0|2,0,0]=4 7635 B11R0.154 CCSCCC(=O)C[C@@H](C)CO 1458a_100000230768_100000059175 [0,2,0,0,0,0|1,0,1]=4 7636 B11R0.154 CCSCCC(=O)N[C@H](C)CO 240690a_100000737577_100000230768 [0,2,0,0,0,0|2,0,0]=4 7637 B11R0.154 CCSCCC(=O)N[C@H](C)CO 527a_100000737577_100000230768 [0,2,0,0,0,0|2,0,0]=4 7638 B11R0.154 COCCCC(=O)C[C@@H](C)CO 1458a_100000741012_100000059175 [0,2,0,0,0,0|1,0,1]=4 7639 B11R0.154 COCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000741012 [0,2,0,0,0,0|2,0,0]=4 7640 B11R0.154 COCCCC(=O)N[C@H](C)CO 527a_100000737577_100000741012 [0,2,0,0,0,0|2,0,0]=4 7641 B11R0.154 CSCCCC(=O)C[C@@H](C)CO 1458a_100000173376_100000059175 [0,2,0,0,0,0|1,0,1]=4 7642 B11R0.154 CSCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000173376 [0,2,0,0,0,0|2,0,0]=4 7643 B11R0.154 CSCCCC(=O)N[C@H](C)CO 527a_100000737577_100000173376 [0,2,0,0,0,0|2,0,0]=4 7644 B11R0.154 C[C@@H](CO)CC(=O)CCCCO 1458a_100000695505_100000059175 [0,2,0,0,0,0|1,0,1]=4 7645 B11R0.11 CCC/C=C(\C)/C(=O)CCCC 1458a_200020648666_100000210211 [0,2,0,0,0,0|1,0,1]=4 7646 B11R0.11 CCC=CC(=O)C(C)CCCC 1458a_100000212282_200011215066 [0,2,0,0,0,0|1,0,1]=4 7647 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000210183_200011215066 [0,2,0,0,0,0|1,0,1]=4 7648 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000725509_100000210211 [0,2,0,0,0,0|1,0,1]=4 7649 B11R0.11 CCCCC(=O)C(O)CCCC 1458a_100000720857_100000210211 [0,2,0,0,0,0|1,0,1]=4 7650 B11R0.11 CCCCC(C)C(=O)C#CCO 1458a_100000049017_200011215066 [0,2,0,0,0,0|0,0,2]=4 7651 B11R0.11 CCCCC(C)C(=O)CCCF 1458a_100000725509_100011934791 [0,2,0,0,0,0|1,0,1]=4 7652 B11R0.11 CCCCC(C)C(=O)CCCO 1458a_100000725509_100011215043 [0,2,0,0,0,0|0,0,1]=3 7653 B11R0.11 CCCCC(C)C(=O)NCCC 11a_100020643023_100000725509 [0,2,0,0,0,0|2,0,0]=4 7654 B11R0.11 CCCCC(C)C(=O)NCCC 1626a_100020643023_100000725509 [0,2,0,0,0,0|2,0,0]=4 7655 B11R0.11 CCCCC(C)C(=O)NCCC 240690a_100020643023_100000725509 [0,2,0,0,0,0|2,0,0]=4 7656 B11R0.11 CCCCC(C)C(=O)NCCC 527a_100020643023_100000725509 [0,2,0,0,0,0|2,0,0]=4 7657 B11R0.11 CCCCC(C)C(=O)NCCF 11a_100000724931_100000725509 [0,2,0,0,0,0|2,0,0]=4 7658 B11R0.11 CCCCC(C)C(=O)NCCF 1626a_100000724931_100000725509 [0,2,0,0,0,0|2,0,0]=4 7659 B11R0.11 CCCCC(C)C(=O)NCCF 240690a_100000724931_100000725509 [0,2,0,0,0,0|2,0,0]=4 7660 B11R0.11 CCCCC(C)C(=O)NCCF 527a_100000724931_100000725509 [0,2,0,0,0,0|2,0,0]=4 7661 B11R0.11 CCCCC(C)C(=O)NCCO 240690a_100000210304_100000725509 [0,2,0,0,0,0|1,0,0]=3 7662 B11R0.11 CCCCC(C)C(=O)NCCO 527a_100000210304_100000725509 [0,2,0,0,0,0|1,0,0]=3 7663 B11R0.11 CCCCC(C)N(C)CCCO 2230a_100000213112_200011215066 [0,2,0,0,0,0|1,0,1]=4 7664 B11R0.11 CCCCC(C)N(C)CCCO 269982a_100000213112_200011215066 [0,2,0,0,0,0|1,0,1]=4 7665 B11R0.11 CCCCC(C)N(C)CCCO 270004a_100000213112_100000210087 [0,2,0,0,0,0|1,0,1]=4 7666 B11R0.11 CCCCC(O)C(=O)CCCF 1458a_100000720857_100011934791 [0,2,0,0,0,0|1,0,1]=4 7667 B11R0.11 CCCCC(O)C(=O)CCCO 1458a_100000720857_100011215043 [0,2,0,0,0,0|0,0,1]=3 7668 B11R0.11 CCCCC(O)C(=O)NCCC 240690a_100020643023_100000720857 [0,2,0,0,0,0|2,0,0]=4 7669 B11R0.11 CCCCC(O)C(=O)NCCC 527a_100020643023_100000720857 [0,2,0,0,0,0|2,0,0]=4 7670 B11R0.11 CCCCC(O)C(=O)NCCF 240690a_100000724931_100000720857 [0,2,0,0,0,0|2,0,0]=4 7671 B11R0.11 CCCCC(O)C(=O)NCCF 527a_100000724931_100000720857 [0,2,0,0,0,0|2,0,0]=4 7672 B11R0.11 CCCCC(O)C(=O)NCCO 240690a_100000210304_100000720857 [0,2,0,0,0,0|1,0,0]=3 7673 B11R0.11 CCCCC(O)C(=O)NCCO 527a_100000210304_100000720857 [0,2,0,0,0,0|1,0,0]=3 7674 B11R0.11 CCCCN(C)C(=O)NCCO 273464a_100000210304_100000207549 [0,2,0,0,0,0|2,0,0]=4 7675 B11R0.11 CSCCC(O)C(=O)CCCO 1458a_100000685904_100011215043 [0,2,0,0,0,0|1,0,1]=4 7676 B11R0.11 CSCCC(O)C(=O)NCCO 240690a_100000210304_100000685904 [0,2,0,0,0,0|2,0,0]=4 7677 B11R0.152 C#CC(CCCC)OCCCO 34a_200011217967_100000230001 [0,2,0,0,0,0|1,0,1]=4 7678 B11R0.152 C#CC(CCCC)OCCCO 7a_200011217967_100011215043 [0,2,0,0,0,0|1,0,1]=4 7679 B11R0.152 C#CC(CCCCC)OCCO 34a_100011216489_100000211926 [0,2,0,0,0,0|1,0,1]=4 7680 B11R0.152 C#CC(CCCCC)OCCO 7a_100011216489_100000211926 [0,2,0,0,0,0|1,0,1]=4 7681 B11R0.152 C=CC(CCCC)OCCCO 34a_200011215037_100000230001 [0,2,0,0,0,0|1,0,1]=4 7682 B11R0.152 C=CC(CCCC)OCCCO 7a_200011215037_100011215043 [0,2,0,0,0,0|1,0,1]=4 7683 B11R0.152 C=CC(CCCCC)OCCO 34a_100011216863_100000211926 [0,2,0,0,0,0|1,0,1]=4 7684 B11R0.152 C=CC(CCCCC)OCCO 7a_100011216863_100000211926 [0,2,0,0,0,0|1,0,1]=4 7685 B11R0.152 CCC/C=C(\CC)/CNCCC 269862a_100020643023_100020616858 [0,2,0,0,0,0|2,0,0]=4 7686 B11R0.152 CCC/C=C(\CC)/COCCC 34a_200015372368_100000210303 [0,2,0,0,0,0|2,0,0]=4 7687 B11R0.152 CCC/C=C(\CC)/COCCC 7a_200015372368_100000210303 [0,2,0,0,0,0|2,0,0]=4 7688 B11R0.152 CCCCC(CC)CNCCO 2230a_100000209976_100000211926 [0,2,0,0,0,0|1,0,1]=4 7689 B11R0.152 CCCCC(CC)CNCCO 2230a_100016997473_100000211942 [0,2,0,0,0,0|1,0,1]=4 7690 B11R0.152 CCCCC(CC)CNCCO 269862a_100000210304_100011219736 [0,2,0,0,0,0|1,0,1]=4 7691 B11R0.152 CCCCC(CC)CNCCO 270004a_100000210304_100011219736 [0,2,0,0,0,0|1,0,1]=4 7692 B11R0.152 CCCCC(CC)CNCCO 34a_100016990907_100000211942 [0,2,0,0,0,0|1,0,1]=4 7693 B11R0.152 CCCCC(CC)COCCO 34a_100000210273_100000211926 [0,2,0,0,0,0|1,0,1]=4 7694 B11R0.152 CCCCC(CC)COCCO 7a_100000210273_100000211926 [0,2,0,0,0,0|1,0,1]=4 7695 B11R0.152 CCCCC(CC)CSCCO 62a_100000211926_100000211942 [0,2,0,0,0,0|1,0,1]=4 7696 B11R0.152 CCCCC(CC)CSCCO 62a_100000211942_100000211926 [0,2,0,0,0,0|1,0,1]=4 7697 B11R0.152 CCCCC(CC)NCCCO 270004a_100000182051_100000753412 [0,2,0,0,0,0|1,0,1]=4 7698 B11R0.152 CCCCC(CC)OCCCO 34a_100011215227_100000230001 [0,2,0,0,0,0|1,0,1]=4 7699 B11R0.152 CCCCC(CC)OCCCO 7a_100011215227_100011215043 [0,2,0,0,0,0|1,0,1]=4 7700 B11R0.152 CCCCC(CC)SCCCO 62a_100011215043_200011216223 [0,2,0,0,0,0|1,0,1]=4 7701 B11R0.152 CCCCC(CC)SCCCO 62a_200011216223_100011215043 [0,2,0,0,0,0|1,0,1]=4 7702 B11R0.152 CCCCCC(CC)NCCO 270004a_100000210304_100011215316 [0,2,0,0,0,0|1,0,1]=4 7703 B11R0.152 CCCCCC(CC)OCCO 34a_100011215405_100000211926 [0,2,0,0,0,0|1,0,1]=4 7704 B11R0.152 CCCCCC(CC)OCCO 7a_100011215405_100000211926 [0,2,0,0,0,0|1,0,1]=4 7705 B11R0.152 CCCC[C@@H](CO)NCCCO 2230a_100011934283_100000230001 [0,2,0,0,0,0|1,0,1]=4 7706 B11R0.152 CCCC[C@@H](CO)NCCCO 34a_100011934283_100000230001 [0,2,0,0,0,0|1,0,1]=4 7707 B11R0.321 CCCCC(C)(C)COCCO 7a_200011995781_100000211926 [0,2,0,0,0,0|1,0,1]=4 7708 B11R0.321 CCCCC(C)(C)OCCCO 7a_100011219641_100011215043 [0,2,0,0,0,0|1,0,1]=4 7709 B11R0.321 CCCCCS(=O)(=O)NCCO 270084a_100000210304_100000753860 [0,2,0,0,0,0|2,0,0]=4 7710 B11R0.321 CCCCCS(=O)(=O)NCCO 274078a_100000210304_100000753860 [0,2,0,0,0,0|2,0,0]=4 7711 B9R1.8 CCCN1CC=CCC1 2230a_100000698166_100000210303 [1,0,0,1,0,0|1,0,0]=3 7712 B9R1.8 CCCN1CC=CCC1 269982a_100000698166_100000210303 [1,0,0,1,0,0|1,0,0]=3 7713 B9R1.8 CCCN1CC=CCC1 34a_100000698166_100000210303 [1,0,0,1,0,0|1,0,0]=3 7714 B9R1.8 CCNC1C=CCCC1 2230a_100015525214_100000751183 [1,0,0,1,0,0|2,0,0]=4 7715 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [1,0,0,1,0,0|1,0,1]=4 7716 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [1,0,0,1,0,0|1,0,1]=4 7717 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [1,0,0,1,0,0|1,0,1]=4 7718 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [1,0,0,1,0,0|2,0,0]=4 7719 B9R1.8 CCOC1CC=CCC1 34a_100000073881_100000210202 [1,0,0,1,0,0|1,0,0]=3 7720 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [1,0,0,1,0,0|1,0,1]=4 7721 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [1,0,0,1,0,0|1,0,1]=4 7722 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [1,0,0,1,0,0|1,0,1]=4 7723 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [1,0,0,1,0,0|1,0,1]=4 7724 B9R1.8 CCSC1C=CCCC1 62a_100000210202_100000751183 [1,0,0,1,0,0|2,0,0]=4 7725 B9R1.8 CCSC1C=CCCC1 62a_100000751183_100000210202 [1,0,0,1,0,0|2,0,0]=4 7726 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [1,0,0,1,0,0|1,0,1]=4 7727 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [1,0,0,1,0,0|1,0,1]=4 7728 B9R1.8 CNCC1CC=CCC1 270004a_106832991635_100000189434 [1,0,0,1,0,0|1,0,0]=3 7729 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [1,0,0,1,0,0|1,0,1]=4 7730 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [1,0,0,1,0,0|1,0,1]=4 7731 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [1,0,0,1,0,0|1,0,1]=4 7732 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [1,0,0,1,0,0|1,0,1]=4 7733 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [1,0,0,1,0,0|1,0,1]=4 7734 B9R1.8 CNC[C@H]1COCCO1 2230a_100010981119_200000210301 [1,0,0,1,0,0|2,0,0]=4 7735 B9R1.8 CNC[C@H]1COCCO1 34a_100010981119_200000210301 [1,0,0,1,0,0|2,0,0]=4 7736 B9R1.8 COCC1CC=CCC1 34a_100000210713_200000210301 [1,0,0,1,0,0|1,0,0]=3 7737 B9R1.8 COCC1CCC=CO1 34a_100011217868_200000210301 [1,0,0,1,0,0|2,0,0]=4 7738 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [1,0,0,1,0,0|1,0,1]=4 7739 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [1,0,0,1,0,0|1,0,1]=4 7740 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [1,0,0,1,0,0|1,0,1]=4 7741 B9R1.8 COCN1CC=CCC1 2230a_100000698166_100000766300 [1,0,0,1,0,0|2,0,0]=4 7742 B9R1.8 COCN1CC=CCC1 269982a_100000698166_100000766300 [1,0,0,1,0,0|2,0,0]=4 7743 B9R1.8 COC[C@@H]1CNCCO1 34a_100015189573_200000210301 [1,0,0,1,0,0|2,0,0]=4 7744 B9R1.8 COC[C@H]1COCCO1 34a_100009875890_200000210301 [1,0,0,1,0,0|2,0,0]=4 7745 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [1,0,0,1,0,0|1,0,1]=4 7746 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [1,0,0,1,0,0|1,0,1]=4 7747 B9R1.8 CSCN1CC=CCC1 2230a_100000698166_100011218213 [1,0,0,1,0,0|2,0,0]=4 7748 B9R1.8 CSCN1CC=CCC1 269982a_100000698166_100011218213 [1,0,0,1,0,0|2,0,0]=4 7749 B9R1.8 CSCN1CC=CCC1 34a_100000698166_100011218213 [1,0,0,1,0,0|2,0,0]=4 7750 B9R1.8 FCCN1CC=CCC1 2230a_100000698166_100011217306 [1,0,0,1,0,0|2,0,0]=4 7751 B9R1.8 FCCN1CC=CCC1 269982a_100000698166_100011217306 [1,0,0,1,0,0|2,0,0]=4 7752 B9R1.8 FCCN1CC=CCC1 34a_100000698166_100011217306 [1,0,0,1,0,0|2,0,0]=4 7753 B9R1.8 FCOC1CC=CCC1 34a_100000073881_100015361967 [1,0,0,1,0,0|2,0,0]=4 7754 B9R1.8 OCCN1CC=CCC1 2230a_100000698166_100000211926 [1,0,0,1,0,0|2,0,0]=4 7755 B9R1.8 OCCN1CC=CCC1 269982a_100000698166_100000211926 [1,0,0,1,0,0|2,0,0]=4 7756 B9R1.8 OCCN1CC=CCC1 34a_100000698166_100000211926 [1,0,0,1,0,0|2,0,0]=4 7757 B9R1.8 OCCN1CCCOC1 2230a_100000131196_100000211926 [1,0,0,1,0,0|2,0,0]=4 7758 B9R1.8 OCCN1CCCOC1 269982a_100000131196_100000211926 [1,0,0,1,0,0|2,0,0]=4 7759 B9R1.8 OCCN1CCCOC1 34a_100000131196_100000211926 [1,0,0,1,0,0|2,0,0]=4 7760 B9R1.8 OCCN1CCOCC1 2230a_100015191051_100000211926 [1,0,0,1,0,0|2,0,0]=4 7761 B9R1.8 OCCN1CCOCC1 269982a_100015191051_100000211926 [1,0,0,1,0,0|2,0,0]=4 7762 B9R1.8 OCCN1CCOCC1 34a_100015191051_100000211926 [1,0,0,1,0,0|2,0,0]=4 7763 B9R1.8 OCCN1CCSCC1 2230a_100000737611_100000211926 [1,0,0,1,0,0|2,0,0]=4 7764 B9R1.8 OCCN1CCSCC1 269982a_100000737611_100000211926 [1,0,0,1,0,0|2,0,0]=4 7765 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [1,0,0,1,0,0|1,0,1]=4 7766 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [1,0,0,1,0,0|1,0,1]=4 7767 B9R1.8 [13CH3]NC[C@H]1COCCO1 2230a_100010981119_200025704644 [1,0,0,1,0,0|2,0,0]=4 7768 B9R1.8 [13CH3]NC[C@H]1COCCO1 34a_100010981119_200025704644 [1,0,0,1,0,0|2,0,0]=4 7769 B9R1.8 [13CH3]OCC1CC=CCC1 34a_100000210713_200025704644 [1,0,0,1,0,0|1,0,0]=3 7770 B9R1.8 [13CH3]OCC1CCC=CO1 34a_100011217868_200025704644 [1,0,0,1,0,0|2,0,0]=4 7771 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [1,0,0,1,0,0|1,0,1]=4 7772 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [1,0,0,1,0,0|1,0,1]=4 7773 B9R1.8 [13CH3]OC[C@@H]1CNCCO1 34a_100015189573_200025704644 [1,0,0,1,0,0|2,0,0]=4 7774 B9R1.8 [13CH3]OC[C@H]1COCCO1 34a_100009875890_200025704644 [1,0,0,1,0,0|2,0,0]=4 7775 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [1,0,0,1,0,0|1,0,1]=4 7776 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [1,0,0,1,0,0|1,0,1]=4 7777 B9R1.12 BrCCOC1CCCC1 34a_100000211926_100000179811 [1,0,0,1,0,0|2,0,0]=4 7778 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [1,0,0,1,0,0|0,0,2]=4 7779 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [1,0,0,1,0,0|1,0,1]=4 7780 B9R1.12 CCCNC1CCCC1 2230a_100000211070_100000210303 [1,0,0,1,0,0|1,0,1]=4 7781 B9R1.12 CCCNC1CCCC1 270004a_100020643023_100000210133 [1,0,0,1,0,0|1,0,1]=4 7782 B9R1.12 CCCNC1CCCC1 34a_100000211070_100000210303 [1,0,0,1,0,0|1,0,1]=4 7783 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [1,0,0,1,0,0|1,0,1]=4 7784 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [1,0,0,1,0,0|1,0,1]=4 7785 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [1,0,0,1,0,0|1,0,1]=4 7786 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [1,0,0,1,0,0|1,0,1]=4 7787 B9R1.12 CCCSC1CCCC1 62a_100000210303_100000179811 [1,0,0,1,0,0|1,0,1]=4 7788 B9R1.12 CCCSC1CCCC1 62a_100011217020_100000210303 [1,0,0,1,0,0|1,0,1]=4 7789 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [1,0,0,1,0,0|1,0,1]=4 7790 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [1,0,0,1,0,0|1,0,1]=4 7791 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [1,0,0,1,0,0|1,0,1]=4 7792 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [1,0,0,1,0,0|1,0,1]=4 7793 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [1,0,0,1,0,0|1,0,1]=4 7794 B9R1.12 CCNCC1OCCO1 2230a_100000036311_100000210202 [1,0,0,1,0,0|2,0,0]=4 7795 B9R1.12 CCNCC1OCCO1 2230a_100015525214_100000755774 [1,0,0,1,0,0|2,0,0]=4 7796 B9R1.12 CCNCC1OCCO1 34a_100000036311_100000210202 [1,0,0,1,0,0|2,0,0]=4 7797 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [1,0,0,1,0,0|1,0,1]=4 7798 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [1,0,0,1,0,0|1,0,1]=4 7799 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [1,0,0,1,0,0|1,0,1]=4 7800 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [1,0,0,1,0,0|1,0,1]=4 7801 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [1,0,0,1,0,0|1,0,1]=4 7802 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [1,0,0,1,0,0|1,0,1]=4 7803 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [1,0,0,1,0,0|1,0,1]=4 7804 B9R1.12 CCOCC1OCCO1 34a_100000087154_100000210202 [1,0,0,1,0,0|2,0,0]=4 7805 B9R1.12 CCOCC1OCCO1 34a_100121572206_100000755774 [1,0,0,1,0,0|2,0,0]=4 7806 B9R1.12 CCSCC1CCCC1 62a_100000210202_100000740388 [1,0,0,1,0,0|1,0,1]=4 7807 B9R1.12 CCSCC1CCCC1 62a_100000740388_100000210202 [1,0,0,1,0,0|1,0,1]=4 7808 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [1,0,0,1,0,0|1,0,1]=4 7809 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [1,0,0,1,0,0|1,0,1]=4 7810 B9R1.12 CCSCC1OCCO1 62a_100000210202_100000755774 [1,0,0,1,0,0|2,0,0]=4 7811 B9R1.12 CCSCC1OCCO1 62a_100000755774_100000210202 [1,0,0,1,0,0|2,0,0]=4 7812 B9R1.12 CNCCC1OCCO1 2230a_100000034215_200000210301 [1,0,0,1,0,0|2,0,0]=4 7813 B9R1.12 CNCCC1OCCO1 2230a_106832991635_100000740749 [1,0,0,1,0,0|2,0,0]=4 7814 B9R1.12 CNCCC1OCCO1 34a_100000034215_200000210301 [1,0,0,1,0,0|2,0,0]=4 7815 B9R1.12 CNCCC1OCCO1 34a_100102657272_100000740749 [1,0,0,1,0,0|2,0,0]=4 7816 B9R1.12 CNCCC1OCCO1 7a_106832991635_100000740749 [1,0,0,1,0,0|2,0,0]=4 7817 B9R1.12 COCCC1OCCO1 34a_100138415774_100000740749 [1,0,0,1,0,0|2,0,0]=4 7818 B9R1.12 CSCCC1OCCO1 62a_200000210301_100000740749 [1,0,0,1,0,0|2,0,0]=4 7819 B9R1.12 FCCNC1CCCC1 2230a_100000211070_100011217306 [1,0,0,1,0,0|2,0,0]=4 7820 B9R1.12 FCCNC1CCCC1 34a_100000211070_100011217306 [1,0,0,1,0,0|2,0,0]=4 7821 B9R1.12 FCCNC1CCCC1 34a_100000724931_100000179811 [1,0,0,1,0,0|2,0,0]=4 7822 B9R1.12 FCCOC1CCCC1 34a_100000210269_100011217306 [1,0,0,1,0,0|2,0,0]=4 7823 B9R1.12 FCCOC1CCCC1 7a_100000210269_100011217306 [1,0,0,1,0,0|2,0,0]=4 7824 B9R1.12 FCCSC1CCCC1 62a_100011217020_100011217306 [1,0,0,1,0,0|2,0,0]=4 7825 B9R1.12 FCCSC1CCCC1 62a_100011217306_100000179811 [1,0,0,1,0,0|2,0,0]=4 7826 B9R1.12 NCCOC1CCCC1 34a_100000210304_100000179811 [1,0,0,1,0,0|2,0,0]=4 7827 B9R1.12 OCCCN1CCCC1 2230a_100000188435_100000230001 [1,0,0,1,0,0|1,0,1]=4 7828 B9R1.12 OCCCN1CCCC1 269982a_100000188435_100011215043 [1,0,0,1,0,0|1,0,1]=4 7829 B9R1.12 OCCNC1CCCC1 2230a_100000211070_100000211926 [1,0,0,1,0,0|1,0,0]=3 7830 B9R1.12 OCCNC1CCCC1 2230a_100016997473_100000179811 [1,0,0,1,0,0|1,0,0]=3 7831 B9R1.12 OCCNC1CCCC1 270004a_100000210304_100000210133 [1,0,0,1,0,0|1,0,0]=3 7832 B9R1.12 OCCNC1CCCC1 34a_100000211070_100000211926 [1,0,0,1,0,0|1,0,0]=3 7833 B9R1.12 OCCNC1CCCC1 34a_100016990907_100000179811 [1,0,0,1,0,0|1,0,0]=3 7834 B9R1.12 OCCNC1CCOC1 2230a_100016997473_100000731011 [1,0,0,1,0,0|2,0,0]=4 7835 B9R1.12 OCCNC1CCOC1 270004a_100000210304_100000752484 [1,0,0,1,0,0|2,0,0]=4 7836 B9R1.12 OCCNC1CCOC1 34a_100016990907_100000690089 [1,0,0,1,0,0|2,0,0]=4 7837 B9R1.12 OCCNC1CCSC1 270004a_100000210304_100000212027 [1,0,0,1,0,0|2,0,0]=4 7838 B9R1.12 OCCN[C@@H]1CCOC1 2230a_200015188469_100000211926 [1,0,0,1,0,0|2,0,0]=4 7839 B9R1.12 OCCN[C@H]1CCOC1 2230a_100015188467_100000211926 [1,0,0,1,0,0|2,0,0]=4 7840 B9R1.12 OCCN[C@H]1CCOC1 34a_100015188467_100000211926 [1,0,0,1,0,0|2,0,0]=4 7841 B9R1.12 OCCOC1CCCC1 34a_100000210269_100000211926 [1,0,0,1,0,0|1,0,0]=3 7842 B9R1.12 OCCOC1CCCC1 7a_100000210269_100000211926 [1,0,0,1,0,0|1,0,0]=3 7843 B9R1.12 OCCOC1CCCO1 34a_100000085407_100000211926 [1,0,0,1,0,0|2,0,0]=4 7844 B9R1.12 OCCOC1CCSC1 7a_100011232664_100000211926 [1,0,0,1,0,0|2,0,0]=4 7845 B9R1.12 OCCO[C@H]1CCOC1 34a_100000717292_100000211926 [1,0,0,1,0,0|2,0,0]=4 7846 B9R1.12 OCCSC1CCCC1 62a_100000211926_100000179811 [1,0,0,1,0,0|1,0,0]=3 7847 B9R1.12 OCCSC1CCCC1 62a_100011217020_100000211926 [1,0,0,1,0,0|1,0,0]=3 7848 B9R1.12 OCCSC1CCOC1 62a_100000211926_100000690089 [1,0,0,1,0,0|2,0,0]=4 7849 B9R1.12 [13CH3]NCCC1OCCO1 2230a_100000034215_200025704644 [1,0,0,1,0,0|2,0,0]=4 7850 B9R1.12 [13CH3]NCCC1OCCO1 34a_100000034215_200025704644 [1,0,0,1,0,0|2,0,0]=4 7851 B9R1.12 [13CH3]SCCC1OCCO1 62a_200025704644_100000740749 [1,0,0,1,0,0|2,0,0]=4 7852 B9R1.14 CCC1C=CCN1CC 2230a_100000730860_100000210202 [1,0,0,1,0,0|2,0,0]=4 7853 B9R1.14 CCC1C=CCN1CC 269982a_100000730860_100000204670 [1,0,0,1,0,0|2,0,0]=4 7854 B9R1.14 CCC1C=CCN1CC 34a_100000730860_100000210202 [1,0,0,1,0,0|2,0,0]=4 7855 B9R1.14 CCC1CCCN1CC 2230a_100000754278_100000210202 [1,0,0,1,0,0|1,0,1]=4 7856 B9R1.14 CCC1CCCN1CC 269982a_100000754278_100000204670 [1,0,0,1,0,0|1,0,1]=4 7857 B9R1.14 CCC1CCCN1CC 34a_100000754278_100000210202 [1,0,0,1,0,0|1,0,1]=4 7858 B9R1.14 CCN1CCC[C@@H]1CO 2230a_100000745186_100000210202 [1,0,0,1,0,0|1,0,1]=4 7859 B9R1.14 CCN1CCC[C@@H]1CO 269982a_100000745186_100000204670 [1,0,0,1,0,0|1,0,1]=4 7860 B9R1.14 CCN1CCC[C@@H]1CO 34a_100000745186_100000210202 [1,0,0,1,0,0|1,0,1]=4 7861 B9R1.15 CCN1CCCCC1C 2230a_100000211376_100000210202 [1,0,0,1,0,0|1,0,1]=4 7862 B9R1.15 CCN1CCCCC1C 269982a_100000211376_100000204670 [1,0,0,1,0,0|1,0,1]=4 7863 B9R1.15 CCN1CCCCC1C 34a_100000211376_100000210202 [1,0,0,1,0,0|1,0,1]=4 7864 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [1,0,0,1,0,0|1,0,1]=4 7865 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [1,0,0,1,0,0|1,0,1]=4 7866 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [1,0,0,1,0,0|1,0,1]=4 7867 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [1,0,0,1,0,0|1,0,1]=4 7868 B9R1.15 CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200000210301 [1,0,0,1,0,0|2,0,0]=4 7869 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [1,0,0,1,0,0|1,0,1]=4 7870 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [1,0,0,1,0,0|1,0,1]=4 7871 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [1,0,0,1,0,0|1,0,1]=4 7872 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [1,0,0,1,0,0|1,0,1]=4 7873 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [1,0,0,1,0,0|1,0,1]=4 7874 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [1,0,0,1,0,0|1,0,1]=4 7875 B9R1.15 [13CH3]N[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200025704644 [1,0,0,1,0,0|2,0,0]=4 7876 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [1,0,0,1,0,0|1,0,1]=4 7877 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [1,0,0,1,0,0|1,0,1]=4 7878 B9R1.16 CC1CC1COCCF 34a_100000744939_100011217306 [1,0,0,1,0,0|2,0,0]=4 7879 B9R1.16 CC1CC1COCCF 7a_100000744939_100011217306 [1,0,0,1,0,0|2,0,0]=4 7880 B9R1.16 CC1CC1COCCO 34a_100000744939_100000211926 [1,0,0,1,0,0|1,0,0]=3 7881 B9R1.16 CC1CC1COCCO 7a_100000744939_100000211926 [1,0,0,1,0,0|1,0,0]=3 7882 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [1,0,0,1,0,0|1,0,1]=4 7883 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [1,0,0,1,0,0|1,0,1]=4 7884 B9R1.17 BrCCOCC1CCC1 34a_100000211926_100000763275 [1,0,0,1,0,0|2,0,0]=4 7885 B9R1.17 CC/C=C\CN1CCC1 269982a_100000754969_100103147603 [1,0,0,1,0,0|1,0,0]=3 7886 B9R1.17 CCC=NNC1CCC1 4a_100000736358_100000210100 [1,0,0,1,0,0|2,0,0]=4 7887 B9R1.17 CCCCCN1CCC1 269982a_100000754969_100000210215 [1,0,0,1,0,0|1,0,1]=4 7888 B9R1.17 CCCNCC1CCC1 2230a_100000738700_100000210303 [1,0,0,1,0,0|1,0,1]=4 7889 B9R1.17 CCCNCC1CCC1 269862a_100020643023_100000753134 [1,0,0,1,0,0|1,0,1]=4 7890 B9R1.17 CCCNCC1CCC1 34a_100000738700_100000210303 [1,0,0,1,0,0|1,0,1]=4 7891 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [1,0,0,1,0,0|1,0,1]=4 7892 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [1,0,0,1,0,0|1,0,1]=4 7893 B9R1.17 CCCOCC1CCC1 34a_100000210258_100000763275 [1,0,0,1,0,0|1,0,1]=4 7894 B9R1.17 CCCOCC1CCC1 34a_100000760304_100000210303 [1,0,0,1,0,0|1,0,1]=4 7895 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [1,0,0,1,0,0|1,0,1]=4 7896 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [1,0,0,1,0,0|1,0,1]=4 7897 B9R1.17 CCCSCC1CCC1 62a_100000210303_100000763275 [1,0,0,1,0,0|1,0,1]=4 7898 B9R1.17 CCCSCC1CCC1 62a_100000763275_100000210303 [1,0,0,1,0,0|1,0,1]=4 7899 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [1,0,0,1,0,0|1,0,1]=4 7900 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [1,0,0,1,0,0|1,0,1]=4 7901 B9R1.17 FCCNCC1CCC1 2230a_100000738700_100011217306 [1,0,0,1,0,0|2,0,0]=4 7902 B9R1.17 FCCNCC1CCC1 269862a_100000724931_100000753134 [1,0,0,1,0,0|2,0,0]=4 7903 B9R1.17 FCCNCC1CCC1 34a_100000724931_100000763275 [1,0,0,1,0,0|2,0,0]=4 7904 B9R1.17 FCCNCC1CCC1 34a_100000738700_100011217306 [1,0,0,1,0,0|2,0,0]=4 7905 B9R1.17 FCCOCC1CCC1 34a_100000760304_100011217306 [1,0,0,1,0,0|2,0,0]=4 7906 B9R1.17 FCCSCC1CCC1 62a_100000763275_100011217306 [1,0,0,1,0,0|2,0,0]=4 7907 B9R1.17 FCCSCC1CCC1 62a_100011217306_100000763275 [1,0,0,1,0,0|2,0,0]=4 7908 B9R1.17 NCCOCC1CCC1 34a_100000210304_100000763275 [1,0,0,1,0,0|2,0,0]=4 7909 B9R1.17 OCCCCN1CCC1 269982a_100000754969_100000210776 [1,0,0,1,0,0|1,0,1]=4 7910 B9R1.17 OCCCNC1CCC1 2230a_100000749019_100000230001 [1,0,0,1,0,0|1,0,1]=4 7911 B9R1.17 OCCCNC1CCC1 270004a_100000182051_100000241760 [1,0,0,1,0,0|1,0,1]=4 7912 B9R1.17 OCCCNC1CCC1 34a_100000749019_100000230001 [1,0,0,1,0,0|1,0,1]=4 7913 B9R1.17 OCCCOC1CCC1 34a_100000748187_100000230001 [1,0,0,1,0,0|1,0,1]=4 7914 B9R1.17 OCCCSC1CCC1 62a_100011215043_100000749161 [1,0,0,1,0,0|1,0,1]=4 7915 B9R1.17 OCCNCC1CCC1 2230a_100000738700_100000211926 [1,0,0,1,0,0|1,0,0]=3 7916 B9R1.17 OCCNCC1CCC1 2230a_100016997473_100000763275 [1,0,0,1,0,0|1,0,0]=3 7917 B9R1.17 OCCNCC1CCC1 269862a_100000210304_100000753134 [1,0,0,1,0,0|1,0,0]=3 7918 B9R1.17 OCCNCC1CCC1 34a_100000738700_100000211926 [1,0,0,1,0,0|1,0,0]=3 7919 B9R1.17 OCCNCC1CCC1 34a_100016990907_100000763275 [1,0,0,1,0,0|1,0,0]=3 7920 B9R1.17 OCCNCC1CCO1 2230a_100016997473_100000103362 [1,0,0,1,0,0|2,0,0]=4 7921 B9R1.17 OCCNCC1CCO1 34a_100016990907_100000103362 [1,0,0,1,0,0|2,0,0]=4 7922 B9R1.17 OCCNCC1COC1 2230a_100015281925_100000211926 [1,0,0,1,0,0|2,0,0]=4 7923 B9R1.17 OCCNCC1COC1 2230a_100016997473_100010264016 [1,0,0,1,0,0|2,0,0]=4 7924 B9R1.17 OCCNCC1COC1 34a_100015281925_100000211926 [1,0,0,1,0,0|2,0,0]=4 7925 B9R1.17 OCCNCC1COC1 34a_100016990907_100010264016 [1,0,0,1,0,0|2,0,0]=4 7926 B9R1.17 OCCNC[C@@H]1CCO1 2230a_100020831831_100000211926 [1,0,0,1,0,0|2,0,0]=4 7927 B9R1.17 OCCNC[C@@H]1CCO1 34a_100020831831_100000211926 [1,0,0,1,0,0|2,0,0]=4 7928 B9R1.17 OCCOCC1CCC1 34a_100000760304_100000211926 [1,0,0,1,0,0|1,0,0]=3 7929 B9R1.17 OCCOCC1CCO1 34a_100000039022_100000211926 [1,0,0,1,0,0|2,0,0]=4 7930 B9R1.17 OCCOCC1CNC1 34a_100016987283_100000211926 [1,0,0,1,0,0|2,0,0]=4 7931 B9R1.17 OCCOCC1COC1 34a_100000060846_100000211926 [1,0,0,1,0,0|2,0,0]=4 7932 B9R1.17 OCCSCC1CCC1 62a_100000211926_100000763275 [1,0,0,1,0,0|1,0,0]=3 7933 B9R1.17 OCCSCC1CCC1 62a_100000763275_100000211926 [1,0,0,1,0,0|1,0,0]=3 7934 B9R1.17 OCCSCC1CCO1 62a_100000103362_100000211926 [1,0,0,1,0,0|2,0,0]=4 7935 B9R1.17 OCCSCC1CCO1 62a_100000211926_100000103362 [1,0,0,1,0,0|2,0,0]=4 7936 B9R1.17 OCCSCC1COC1 62a_100000211926_100010264016 [1,0,0,1,0,0|2,0,0]=4 7937 B9R1.17 OCCSCC1COC1 62a_100010264016_100000211926 [1,0,0,1,0,0|2,0,0]=4 7938 B9R1.33 CC1SCCN1CCO 2230a_200011216479_100000211926 [1,0,0,1,0,0|2,0,0]=4 7939 B9R1.33 CC1SCCN1CCO 269982a_200011216479_100000211926 [1,0,0,1,0,0|2,0,0]=4 7940 B9R1.33 CC1SCCN1CCO 34a_200011216479_100000211926 [1,0,0,1,0,0|2,0,0]=4 7941 B9R1.33 CCCN1CCC[C@@H]1C 2230a_100020605311_100000210303 [1,0,0,1,0,0|1,0,1]=4 7942 B9R1.33 CCCN1CCC[C@@H]1C 269982a_100020605311_100000210303 [1,0,0,1,0,0|1,0,1]=4 7943 B9R1.33 CCCN1CCC[C@H]1C 2230a_100015189458_100000210303 [1,0,0,1,0,0|1,0,1]=4 7944 B9R1.33 CCCN1CCC[C@H]1C 269982a_100015189458_100000210303 [1,0,0,1,0,0|1,0,1]=4 7945 B9R1.33 CCCN1CCC[C@H]1C 34a_100015189458_100000210303 [1,0,0,1,0,0|1,0,1]=4 7946 B9R1.33 CCNC1CCCC1C 269862a_100015525214_100000752053 [1,0,0,1,0,0|1,0,1]=4 7947 B9R1.33 CCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210202 [1,0,0,1,0,0|2,0,0]=4 7948 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [1,0,0,1,0,0|1,0,1]=4 7949 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [1,0,0,1,0,0|1,0,1]=4 7950 B9R1.33 CCOC1COCC1O 34a_100121572206_200000725654 [1,0,0,1,0,0|2,0,0]=4 7951 B9R1.33 CCSC1COCC1O 62a_100000210202_200000725654 [1,0,0,1,0,0|2,0,0]=4 7952 B9R1.33 CCSC1COCC1O 62a_200000725654_100000210202 [1,0,0,1,0,0|2,0,0]=4 7953 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_100000210202_200016002552 [1,0,0,1,0,0|1,0,1]=4 7954 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210202 [1,0,0,1,0,0|1,0,1]=4 7955 B9R1.33 C[C@@H]1CCCN1CCF 2230a_100015189458_100011217306 [1,0,0,1,0,0|2,0,0]=4 7956 B9R1.33 C[C@@H]1CCCN1CCF 269982a_100015189458_100011217306 [1,0,0,1,0,0|2,0,0]=4 7957 B9R1.33 C[C@@H]1CCCN1CCF 34a_100015189458_100011217306 [1,0,0,1,0,0|2,0,0]=4 7958 B9R1.33 C[C@@H]1CCCN1CCO 2230a_100015189458_100000211926 [1,0,0,1,0,0|1,0,0]=3 7959 B9R1.33 C[C@@H]1CCCN1CCO 269982a_100015189458_100000211926 [1,0,0,1,0,0|1,0,0]=3 7960 B9R1.33 C[C@@H]1CCCN1CCO 34a_100015189458_100000211926 [1,0,0,1,0,0|1,0,0]=3 7961 B9R1.33 C[C@H]1CCCN1CCF 2230a_100020605311_100011217306 [1,0,0,1,0,0|2,0,0]=4 7962 B9R1.33 C[C@H]1CCCN1CCF 269982a_100020605311_100011217306 [1,0,0,1,0,0|2,0,0]=4 7963 B9R1.33 C[C@H]1CCCN1CCO 2230a_100020605311_100000211926 [1,0,0,1,0,0|1,0,0]=3 7964 B9R1.33 C[C@H]1CCCN1CCO 269982a_100020605311_100000211926 [1,0,0,1,0,0|1,0,0]=3 7965 B9R1.39 CC1CCN1CCCO 269982a_100000755817_100011215043 [1,0,0,1,0,0|1,0,1]=4 7966 B9R1.39 CC1CCN1CCCO 34a_100000755817_100000230001 [1,0,0,1,0,0|1,0,1]=4 7967 B9R1.83 BrCCOCCC1CC1 34a_100000211926_100000694398 [1,0,0,1,0,0|2,0,0]=4 7968 B9R1.83 CC/C=C\CNC1CC1 34a_100000212008_100103147603 [1,0,0,1,0,0|1,0,0]=3 7969 B9R1.83 CC/C=C\COC1CC1 34a_100016268518_100000211595 [1,0,0,1,0,0|1,0,0]=3 7970 B9R1.83 CC/C=C\CSC1CC1 62a_100103147603_100000211595 [1,0,0,1,0,0|1,0,0]=3 7971 B9R1.83 CCC=NNCC1CC1 4a_100000736359_100000210100 [1,0,0,1,0,0|2,0,0]=4 7972 B9R1.83 CCCCCNC1CC1 34a_100000212008_100000718602 [1,0,0,1,0,0|1,0,1]=4 7973 B9R1.83 CCCCCOC1CC1 34a_100000210253_100000211595 [1,0,0,1,0,0|1,0,1]=4 7974 B9R1.83 CCCCCSC1CC1 62a_100000210326_100000211595 [1,0,0,1,0,0|1,0,1]=4 7975 B9R1.83 CCCCNCC1CO1 2230a_100000102301_100011216344 [1,0,0,1,0,0|1,0,1]=4 7976 B9R1.83 CCCCNCC1CO1 7a_106832991798_102125554688 [1,0,0,1,0,0|1,0,1]=4 7977 B9R1.83 CCCCNC[C@@H]1CO1 7a_106832991798_100000745022 [1,0,0,1,0,0|1,0,1]=4 7978 B9R1.83 CCCCOCC1CO1 34a_100000210227_102125554688 [1,0,0,1,0,0|1,0,1]=4 7979 B9R1.83 CCCCOCC1CO1 7a_100000210227_102125554688 [1,0,0,1,0,0|1,0,1]=4 7980 B9R1.83 CCCCOC[C@@H]1CO1 34a_100000757423_100000210210 [1,0,0,1,0,0|1,0,1]=4 7981 B9R1.83 CCCCOC[C@@H]1CO1 7a_100000210227_100000745022 [1,0,0,1,0,0|1,0,1]=4 7982 B9R1.83 CCCCSCC1CO1 62a_100000210211_102125554688 [1,0,0,1,0,0|1,0,1]=4 7983 B9R1.83 CCCCSCC1CO1 62a_102125554688_100000210210 [1,0,0,1,0,0|1,0,1]=4 7984 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000210211_100000745022 [1,0,0,1,0,0|1,0,1]=4 7985 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000745022_100000210210 [1,0,0,1,0,0|1,0,1]=4 7986 B9R1.83 CCCNCCC1CC1 34a_100000764129_100000210303 [1,0,0,1,0,0|1,0,1]=4 7987 B9R1.83 CCCOCCC1CC1 34a_100000210258_100000694398 [1,0,0,1,0,0|1,0,1]=4 7988 B9R1.83 CCCOCCC1CC1 34a_100000754188_100000210303 [1,0,0,1,0,0|1,0,1]=4 7989 B9R1.83 CCCOCCC1CC1 7a_100000754188_100000210303 [1,0,0,1,0,0|1,0,1]=4 7990 B9R1.83 CCCOCCC1CO1 34a_100000210258_100000732470 [1,0,0,1,0,0|1,0,1]=4 7991 B9R1.83 CCCOCC[C@@H]1CO1 34a_100009820653_100000210303 [1,0,0,1,0,0|1,0,1]=4 7992 B9R1.83 CCCSCCC1CC1 62a_100000210303_100000764125 [1,0,0,1,0,0|1,0,1]=4 7993 B9R1.83 CCCSCCC1CC1 62a_100000764125_100000210303 [1,0,0,1,0,0|1,0,1]=4 7994 B9R1.83 CCCSCCC1CO1 62a_100000210303_100000732470 [1,0,0,1,0,0|1,0,1]=4 7995 B9R1.83 CCCSCCC1CO1 62a_100000732470_100000210303 [1,0,0,1,0,0|1,0,1]=4 7996 B9R1.83 CCNCCCC1CO1 2230a_100015525214_100000733510 [1,0,0,1,0,0|1,0,1]=4 7997 B9R1.83 CCOCCCC1CO1 34a_100121572206_100000733510 [1,0,0,1,0,0|1,0,1]=4 7998 B9R1.83 CCSCCCC1CO1 62a_100000210202_100000733510 [1,0,0,1,0,0|1,0,1]=4 7999 B9R1.83 CCSCCCC1CO1 62a_100000733510_100000210202 [1,0,0,1,0,0|1,0,1]=4 8000 B9R1.83 FCCNCCC1CC1 34a_100000724931_100000694398 [1,0,0,1,0,0|2,0,0]=4 8001 B9R1.83 FCCNCCC1CC1 34a_100000764129_100011217306 [1,0,0,1,0,0|2,0,0]=4 8002 B9R1.83 FCCOCCC1CC1 34a_100000754188_100011217306 [1,0,0,1,0,0|2,0,0]=4 8003 B9R1.83 FCCOCCC1CC1 7a_100000754188_100011217306 [1,0,0,1,0,0|2,0,0]=4 8004 B9R1.83 FCCSCCC1CC1 62a_100000764125_100011217306 [1,0,0,1,0,0|2,0,0]=4 8005 B9R1.83 FCCSCCC1CC1 62a_100011217306_100000764125 [1,0,0,1,0,0|2,0,0]=4 8006 B9R1.83 NCCOCCC1CC1 34a_100000210304_100000694398 [1,0,0,1,0,0|2,0,0]=4 8007 B9R1.83 OCCCCNC1CC1 34a_100000212008_100011216708 [1,0,0,1,0,0|1,0,1]=4 8008 B9R1.83 OCCCCNC1CC1 34a_100000750430_100000211595 [1,0,0,1,0,0|1,0,1]=4 8009 B9R1.83 OCCCCSC1CC1 62a_100000210776_100000211595 [1,0,0,1,0,0|1,0,1]=4 8010 B9R1.83 OCCCNCC1CC1 2230a_100000735609_100000230001 [1,0,0,1,0,0|1,0,1]=4 8011 B9R1.83 OCCCNCC1CC1 269862a_100000182051_100000741477 [1,0,0,1,0,0|1,0,1]=4 8012 B9R1.83 OCCCNCC1CC1 34a_100000735609_100000230001 [1,0,0,1,0,0|1,0,1]=4 8013 B9R1.83 OCCCOCC1CC1 34a_100000211283_100000230001 [1,0,0,1,0,0|1,0,1]=4 8014 B9R1.83 OCCCSCC1CC1 62a_100000756562_100011215043 [1,0,0,1,0,0|1,0,1]=4 8015 B9R1.83 OCCCSCC1CC1 62a_100011215043_100000742324 [1,0,0,1,0,0|1,0,1]=4 8016 B9R1.83 OCCNCCC1CC1 2230a_100016997473_100000694398 [1,0,0,1,0,0|1,0,0]=3 8017 B9R1.83 OCCNCCC1CC1 34a_100000764129_100000211926 [1,0,0,1,0,0|1,0,0]=3 8018 B9R1.83 OCCNCCC1CC1 34a_100016990907_100000694398 [1,0,0,1,0,0|1,0,0]=3 8019 B9R1.83 OCCNCCC1CO1 2230a_100016997473_100000732470 [1,0,0,1,0,0|2,0,0]=4 8020 B9R1.83 OCCNCCC1CO1 34a_100016990907_100000732470 [1,0,0,1,0,0|2,0,0]=4 8021 B9R1.83 OCCOCCC1CC1 34a_100000754188_100000211926 [1,0,0,1,0,0|1,0,0]=3 8022 B9R1.83 OCCOCCC1CC1 7a_100000754188_100000211926 [1,0,0,1,0,0|1,0,0]=3 8023 B9R1.83 OCCOCC[C@@H]1CO1 34a_100009820653_100000211926 [1,0,0,1,0,0|2,0,0]=4 8024 B9R1.83 OCCSCCC1CC1 62a_100000211926_100000764125 [1,0,0,1,0,0|1,0,0]=3 8025 B9R1.83 OCCSCCC1CC1 62a_100000764125_100000211926 [1,0,0,1,0,0|1,0,0]=3 8026 B9R1.83 OCCSCCC1CO1 62a_100000211926_100000732470 [1,0,0,1,0,0|2,0,0]=4 8027 B9R1.83 OCCSCCC1CO1 62a_100000732470_100000211926 [1,0,0,1,0,0|2,0,0]=4 8028 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [1,0,0,1,0,0|1,0,1]=4 8029 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [1,0,0,1,0,0|1,0,1]=4 8030 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [1,0,0,1,0,0|1,0,1]=4 8031 B11R1.4 CCCC=NNC1CCCC1 4a_100000737850_100000185831 [0,1,0,1,0,0|2,0,0]=4 8032 B11R1.4 CCCCCNC1CCOC1 2230a_100000209983_100000731011 [0,1,0,1,0,0|1,0,1]=4 8033 B11R1.4 CCCCCNC1CCOC1 270004a_100000209983_100000752484 [0,1,0,1,0,0|1,0,1]=4 8034 B11R1.4 CCCCCN[C@@H]1CCOC1 2230a_200015188469_100000210326 [0,1,0,1,0,0|1,0,1]=4 8035 B11R1.4 CCCCCN[C@H]1CCOC1 2230a_100015188467_100000210326 [0,1,0,1,0,0|1,0,1]=4 8036 B11R1.4 CCCCCN[C@H]1CCOC1 34a_100015188467_100000718602 [0,1,0,1,0,0|1,0,1]=4 8037 B11R1.4 CCCCCOC1CCCO1 34a_100000085407_100000718602 [0,1,0,1,0,0|0,0,2]=4 8038 B11R1.4 CCCCCOC1CCOC1 34a_100000210253_100000690089 [0,1,0,1,0,0|1,0,1]=4 8039 B11R1.4 CCCCCOC1CCOC1 7a_100000210253_100000731011 [0,1,0,1,0,0|1,0,1]=4 8040 B11R1.4 CCCCCO[C@H]1CCOC1 34a_100000717292_100000718602 [0,1,0,1,0,0|1,0,1]=4 8041 B11R1.4 CCCCCSC1CCOC1 62a_100000210326_100000690089 [0,1,0,1,0,0|1,0,1]=4 8042 B11R1.4 CCCCCSc1ccco1 62a_100000210326_100009814098 [0,1,0,1,0,0|0,0,2]=4 8043 B11R1.4 CCCCCSc1ccco1 62a_100009814098_100000210326 [0,1,0,1,0,0|0,0,2]=4 8044 B11R1.4 CCCCCSc1cnco1 62a_100000210326_100020591547 [0,1,0,1,0,0|1,0,1]=4 8045 B11R1.4 CCCCCSc1cnco1 62a_100020591547_100000210326 [0,1,0,1,0,0|1,0,1]=4 8046 B11R1.4 CCCCNCC1=NCCN1 7a_106832991798_100000737910 [0,1,0,1,0,0|2,0,0]=4 8047 B11R1.4 CCCCNCC1CCCO1 2230a_100000102301_100000203698 [0,1,0,1,0,0|0,0,2]=4 8048 B11R1.4 CCCCNCC1CCCO1 7a_106832991798_100000203698 [0,1,0,1,0,0|0,0,2]=4 8049 B11R1.4 CCCCNCC1OCCO1 2230a_100000036311_100000210211 [0,1,0,1,0,0|1,0,1]=4 8050 B11R1.4 CCCCNCC1OCCO1 2230a_100000102301_100000755774 [0,1,0,1,0,0|1,0,1]=4 8051 B11R1.4 CCCCNCC1OCCO1 34a_100000036311_100000210210 [0,1,0,1,0,0|1,0,1]=4 8052 B11R1.4 CCCCNCC1OCCO1 7a_106832991798_100000755774 [0,1,0,1,0,0|1,0,1]=4 8053 B11R1.4 CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210211 [0,1,0,1,0,0|0,0,2]=4 8054 B11R1.4 CCCCNC[C@@H]1CCCO1 34a_100020590478_100000210210 [0,1,0,1,0,0|0,0,2]=4 8055 B11R1.4 CCCCNCc1ccco1 207a_100000102301_100000186105 [0,1,0,1,0,0|0,0,2]=4 8056 B11R1.4 CCCCNCc1ccco1 2230a_100000185738_100000210211 [0,1,0,1,0,0|0,0,2]=4 8057 B11R1.4 CCCCNCc1ccco1 270004a_100000102301_100000186105 [0,1,0,1,0,0|0,0,2]=4 8058 B11R1.4 CCCCNCc1ccco1 34a_100000185738_100000210210 [0,1,0,1,0,0|0,0,2]=4 8059 B11R1.4 CCCCNCc1cnco1 270004a_100000102301_100000064291 [0,1,0,1,0,0|1,0,1]=4 8060 B11R1.4 CCCCNN=C1CCOC1 4a_100025702795_100000752484 [0,1,0,1,0,0|2,0,0]=4 8061 B11R1.4 CCCCOCC1=NCCN1 34a_100000210227_100000737910 [0,1,0,1,0,0|2,0,0]=4 8062 B11R1.4 CCCCOCC1=NCCN1 7a_100000210227_100000737910 [0,1,0,1,0,0|2,0,0]=4 8063 B11R1.4 CCCCOCC1CCCO1 34a_100000210270_100000210210 [0,1,0,1,0,0|0,0,2]=4 8064 B11R1.4 CCCCOCC1CCCO1 7a_100000210227_100000203698 [0,1,0,1,0,0|0,0,2]=4 8065 B11R1.4 CCCCOCC1CCCO1 7a_100000210270_100000210211 [0,1,0,1,0,0|0,0,2]=4 8066 B11R1.4 CCCCOCC1OCCO1 34a_100000087154_100000210210 [0,1,0,1,0,0|1,0,1]=4 8067 B11R1.4 CCCCOCC1OCCO1 34a_100000210227_100000755774 [0,1,0,1,0,0|1,0,1]=4 8068 B11R1.4 CCCCOCC1OCCO1 7a_100000210227_100000755774 [0,1,0,1,0,0|1,0,1]=4 8069 B11R1.4 CCCCOCc1ccco1 34a_100000210059_100000210210 [0,1,0,1,0,0|0,0,2]=4 8070 B11R1.4 CCCCOCc1ccno1 34a_100000740478_100000210210 [0,1,0,1,0,0|1,0,1]=4 8071 B11R1.4 CCCCSCC1=NCCN1 62a_100000210211_100000737910 [0,1,0,1,0,0|2,0,0]=4 8072 B11R1.4 CCCCSCC1=NCCN1 62a_100000737910_100000210210 [0,1,0,1,0,0|2,0,0]=4 8073 B11R1.4 CCCCSCC1CCCO1 62a_100000203698_100000210210 [0,1,0,1,0,0|0,0,2]=4 8074 B11R1.4 CCCCSCC1CCCO1 62a_100000210211_100000203698 [0,1,0,1,0,0|0,0,2]=4 8075 B11R1.4 CCCCSCC1OCCO1 62a_100000210211_100000755774 [0,1,0,1,0,0|1,0,1]=4 8076 B11R1.4 CCCCSCC1OCCO1 62a_100000755774_100000210210 [0,1,0,1,0,0|1,0,1]=4 8077 B11R1.4 CCCNCCC1OCCO1 2230a_100000034215_100000210303 [0,1,0,1,0,0|1,0,1]=4 8078 B11R1.4 CCCNCCC1OCCO1 34a_100000034215_100000210303 [0,1,0,1,0,0|1,0,1]=4 8079 B11R1.4 CCCNCCc1ccco1 2230a_100000694680_100000210303 [0,1,0,1,0,0|0,0,2]=4 8080 B11R1.4 CCCNCCc1ccco1 34a_100000694680_100000210303 [0,1,0,1,0,0|0,0,2]=4 8081 B11R1.4 CCCNN=CC1CCCC1 4a_100000740057_100000746403 [0,1,0,1,0,0|2,0,0]=4 8082 B11R1.4 CCCOCCC1OCCO1 34a_100000210258_100000740749 [0,1,0,1,0,0|1,0,1]=4 8083 B11R1.4 CCCSCCC1OCCO1 62a_100000210303_100000740749 [0,1,0,1,0,0|1,0,1]=4 8084 B11R1.4 CCNCCCC1OCCO1 2230a_100015525214_100000042513 [0,1,0,1,0,0|1,0,1]=4 8085 B11R1.4 CCOCCCC1OCCO1 34a_100009871617_100000210202 [0,1,0,1,0,0|1,0,1]=4 8086 B11R1.4 CCOCCCC1OCCO1 34a_100121572206_100009861162 [0,1,0,1,0,0|1,0,1]=4 8087 B11R1.4 CCOCCCC1OCCO1 7a_100009871617_100000210202 [0,1,0,1,0,0|1,0,1]=4 8088 B11R1.4 CCSCCCC1OCCO1 62a_100000210202_100000042513 [0,1,0,1,0,0|1,0,1]=4 8089 B11R1.4 CNCCCCC1OCCO1 2230a_106832991635_100000034956 [0,1,0,1,0,0|1,0,1]=4 8090 B11R1.4 CNCCCCC1OCCO1 34a_100102657272_200009813554 [0,1,0,1,0,0|1,0,1]=4 8091 B11R1.4 CNCCCCC1OCCO1 7a_106832991635_100000034956 [0,1,0,1,0,0|1,0,1]=4 8092 B11R1.4 COCCCCC1OCCO1 34a_100138415774_200009813554 [0,1,0,1,0,0|1,0,1]=4 8093 B11R1.4 COCCCNC1CCCC1 2230a_100000211070_100000740836 [0,1,0,1,0,0|1,0,1]=4 8094 B11R1.4 COCCCNC1CCCC1 270004a_100150723488_100000210133 [0,1,0,1,0,0|1,0,1]=4 8095 B11R1.4 COCCCNC1CCCC1 34a_100000211070_100000740836 [0,1,0,1,0,0|1,0,1]=4 8096 B11R1.4 COCCCNC1CCCC1 34a_100150723488_100000179811 [0,1,0,1,0,0|1,0,1]=4 8097 B11R1.4 COCCCOC1CCCC1 34a_100000210269_100000740836 [0,1,0,1,0,0|1,0,1]=4 8098 B11R1.4 COCCCOC1CCCC1 34a_100000740835_100000179811 [0,1,0,1,0,0|1,0,1]=4 8099 B11R1.4 COCCCOC1CCCC1 7a_100000210269_100000740836 [0,1,0,1,0,0|1,0,1]=4 8100 B11R1.4 COCCCSC1CCCC1 62a_100000709357_100000179811 [0,1,0,1,0,0|1,0,1]=4 8101 B11R1.4 COCCCSC1CCCC1 62a_100011217020_100000709357 [0,1,0,1,0,0|1,0,1]=4 8102 B11R1.4 COCCNCC1CCCC1 2230a_100000209980_100000740388 [0,1,0,1,0,0|1,0,1]=4 8103 B11R1.4 COCCNCC1CCCC1 2230a_100000737975_100011201679 [0,1,0,1,0,0|1,0,1]=4 8104 B11R1.4 COCCNCC1CCCC1 269862a_100000209980_100000746403 [0,1,0,1,0,0|1,0,1]=4 8105 B11R1.4 COCCNCC1CCCC1 34a_100000737975_100011201679 [0,1,0,1,0,0|1,0,1]=4 8106 B11R1.4 COCCOCC1CCCC1 34a_100000210237_100000740388 [0,1,0,1,0,0|1,0,1]=4 8107 B11R1.4 COCCOCC1CCCC1 34a_100000742336_100011201679 [0,1,0,1,0,0|1,0,1]=4 8108 B11R1.4 COCCOCC1CCCC1 7a_100000742336_100000233755 [0,1,0,1,0,0|1,0,1]=4 8109 B11R1.4 COCCSCC1CCCC1 62a_100000233755_100000740388 [0,1,0,1,0,0|1,0,1]=4 8110 B11R1.4 COCCSCC1CCCC1 62a_100000740388_100000233755 [0,1,0,1,0,0|1,0,1]=4 8111 B11R1.4 CSCCCCC1OCCO1 62a_200000210301_100000034956 [0,1,0,1,0,0|1,0,1]=4 8112 B11R1.4 NOCCOCC1CCCC1 34a_100000700252_100000740388 [0,1,0,1,0,0|1,0,1]=4 8113 B11R1.4 OCCCCCN1CCCC1 2230a_100000188435_100000746330 [0,1,0,1,0,0|0,0,2]=4 8114 B11R1.4 OCCCCCN1CCCC1 269982a_100000188435_100000746330 [0,1,0,1,0,0|0,0,2]=4 8115 B11R1.4 OCCCCNC1CCCC1 2230a_100000211070_100000210776 [0,1,0,1,0,0|0,0,2]=4 8116 B11R1.4 OCCCCNC1CCCC1 2230a_100000750430_100000179811 [0,1,0,1,0,0|0,0,2]=4 8117 B11R1.4 OCCCCNC1CCCC1 270004a_100000750430_100000210133 [0,1,0,1,0,0|0,0,2]=4 8118 B11R1.4 OCCCCNC1CCCC1 34a_100000211070_100011216708 [0,1,0,1,0,0|0,0,2]=4 8119 B11R1.4 OCCCCNC1CCCC1 34a_100000750430_100000179811 [0,1,0,1,0,0|0,0,2]=4 8120 B11R1.4 OCCCCOC1CCCC1 34a_100000210269_100011216708 [0,1,0,1,0,0|0,0,2]=4 8121 B11R1.4 OCCCCOC1CCCC1 7a_100000210269_100000210776 [0,1,0,1,0,0|0,0,2]=4 8122 B11R1.4 OCCCCSC1CCCC1 62a_100000210776_100000179811 [0,1,0,1,0,0|0,0,2]=4 8123 B11R1.4 OCCCCSC1CCCC1 62a_100011217020_100000210776 [0,1,0,1,0,0|0,0,2]=4 8124 B11R1.4 OCCCNCC1CCCC1 2230a_100000737975_100000230001 [0,1,0,1,0,0|0,0,2]=4 8125 B11R1.4 OCCCNCC1CCCC1 269862a_100000182051_100000746403 [0,1,0,1,0,0|0,0,2]=4 8126 B11R1.4 OCCCNCC1CCCC1 34a_100000737975_100000230001 [0,1,0,1,0,0|0,0,2]=4 8127 B11R1.4 OCCCNCC1CCOC1 2230a_100000737293_100000230001 [0,1,0,1,0,0|1,0,1]=4 8128 B11R1.4 OCCCNCC1CCOC1 34a_100000737293_100000230001 [0,1,0,1,0,0|1,0,1]=4 8129 B11R1.4 OCCCNC[C@@H]1CCCO1 2230a_100020590478_100000230001 [0,1,0,1,0,0|1,0,1]=4 8130 B11R1.4 OCCCNC[C@@H]1CCCO1 34a_100020590478_100000230001 [0,1,0,1,0,0|1,0,1]=4 8131 B11R1.4 OCCCOCC1CCCC1 34a_100000742336_100000230001 [0,1,0,1,0,0|0,0,2]=4 8132 B11R1.4 OCCCOCC1CCCC1 7a_100000742336_100011215043 [0,1,0,1,0,0|0,0,2]=4 8133 B11R1.4 OCCCOCC1CCCO1 34a_100000210270_100000230001 [0,1,0,1,0,0|1,0,1]=4 8134 B11R1.4 OCCCOCC1CCCO1 7a_100000210270_100011215043 [0,1,0,1,0,0|1,0,1]=4 8135 B11R1.4 OCCCOCC1CCNC1 34a_100000748654_100000230001 [0,1,0,1,0,0|1,0,1]=4 8136 B11R1.4 OCCCOCC1CCOC1 34a_100000740260_100000230001 [0,1,0,1,0,0|1,0,1]=4 8137 B11R1.4 OCCCOC[C@H]1CCCN1 34a_100000745186_100000230001 [0,1,0,1,0,0|1,0,1]=4 8138 B11R1.4 OCCCSCC1CCCC1 62a_100000740388_100011215043 [0,1,0,1,0,0|0,0,2]=4 8139 B11R1.4 OCCCSCC1CCCC1 62a_100011215043_100000740388 [0,1,0,1,0,0|0,0,2]=4 8140 B11R1.4 OCCCSCC1CCCO1 62a_100000203698_100011215043 [0,1,0,1,0,0|1,0,1]=4 8141 B11R1.4 OCCCSCC1CCCO1 62a_100011215043_100000203698 [0,1,0,1,0,0|1,0,1]=4 8142 B11R1.4 OCCCSCC1CCOC1 62a_100000702531_100011215043 [0,1,0,1,0,0|1,0,1]=4 8143 B11R1.4 OCCCSCC1CCOC1 62a_100011215043_100000702531 [0,1,0,1,0,0|1,0,1]=4 8144 B11R1.4 OCCNCCC1CCCC1 2230a_100000739158_100000211926 [0,1,0,1,0,0|0,0,2]=4 8145 B11R1.4 OCCNCCC1CCCC1 2230a_100016997473_100000760354 [0,1,0,1,0,0|0,0,2]=4 8146 B11R1.4 OCCNCCC1CCCC1 34a_100000739158_100000211926 [0,1,0,1,0,0|0,0,2]=4 8147 B11R1.4 OCCNCCC1CCCC1 34a_100016990907_100000760354 [0,1,0,1,0,0|0,0,2]=4 8148 B11R1.4 OCCNN=CC1CCCC1 4a_100000210001_100000746403 [0,1,0,1,0,0|1,0,0]=3 8149 B11R1.4 OCCNN=CC1CCOC1 4a_100000210001_100000239508 [0,1,0,1,0,0|2,0,0]=4 8150 B11R1.4 OCCOCCC1CCCC1 34a_100000749090_100000211926 [0,1,0,1,0,0|0,0,2]=4 8151 B11R1.4 OCCOCCC1CCCC1 7a_100000749090_100000211926 [0,1,0,1,0,0|0,0,2]=4 8152 B11R1.4 OCCOCCC1CCNC1 34a_100016987287_100000211926 [0,1,0,1,0,0|1,0,1]=4 8153 B11R1.4 OCCOCCC1CCOC1 34a_100011879284_100000211926 [0,1,0,1,0,0|1,0,1]=4 8154 B11R1.4 OCCOCCN1CCCC1 2230a_100000188435_100011215305 [0,1,0,1,0,0|1,0,1]=4 8155 B11R1.4 OCCOCCN1CCCC1 269982a_100000188435_100011215305 [0,1,0,1,0,0|1,0,1]=4 8156 B11R1.4 OCCSCCC1CCCC1 62a_100000211926_100000760354 [0,1,0,1,0,0|0,0,2]=4 8157 B11R1.4 OCCSCCC1CCCC1 62a_100000760354_100000211926 [0,1,0,1,0,0|0,0,2]=4 8158 B11R1.4 OCCSCCN1CCCC1 62a_100000211926_100000004467 [0,1,0,1,0,0|1,0,1]=4 8159 B11R1.4 OCCSCCN1CCCC1 62a_100000700749_100000211926 [0,1,0,1,0,0|1,0,1]=4 8160 B11R1.4 [13CH3]SCCCCC1OCCO1 62a_200025704644_100000034956 [0,1,0,1,0,0|1,0,1]=4 8161 B11R1.16 CCCC(=O)C1=CCCCC1 1458a_100000765259_100000210303 [0,1,0,1,0,0|1,0,1]=4 8162 B11R1.16 CCCC(=O)C1C=CCCC1 1458a_100000211992_100000751183 [0,1,0,1,0,0|1,0,1]=4 8163 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000210647_100000210303 [0,1,0,1,0,0|1,0,1]=4 8164 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000211992_100000210327 [0,1,0,1,0,0|1,0,1]=4 8165 B11R1.16 CCCN(C)C1C=CCCC1 2230a_100000747261_100000751183 [0,1,0,1,0,0|2,0,0]=4 8166 B11R1.16 CCCN(C)C1C=CCCC1 269982a_100000747261_100000751183 [0,1,0,1,0,0|2,0,0]=4 8167 B11R1.16 CN(CCO)C1CCCCC1 2230a_100000200466_200000210301 [0,1,0,1,0,0|1,0,1]=4 8168 B11R1.16 CN(CCO)C1CCCCC1 2230a_100000207522_100000211926 [0,1,0,1,0,0|1,0,1]=4 8169 B11R1.16 CN(CCO)C1CCCCC1 269982a_100000200466_200000210301 [0,1,0,1,0,0|1,0,1]=4 8170 B11R1.16 CN(CCO)C1CCCCC1 269982a_100000207522_100000211926 [0,1,0,1,0,0|1,0,1]=4 8171 B11R1.16 CN(CCO)C1CCCCC1 269982a_100000210263_100000210327 [0,1,0,1,0,0|1,0,1]=4 8172 B11R1.16 CN(CCO)C1CCCCC1 270004a_100000210263_100000210434 [0,1,0,1,0,0|1,0,1]=4 8173 B11R1.16 CN(CCO)C1CCCCC1 34a_100000200466_200000210301 [0,1,0,1,0,0|1,0,1]=4 8174 B11R1.16 CN(CCO)C1CCCCC1 34a_100000207522_100000211926 [0,1,0,1,0,0|1,0,1]=4 8175 B11R1.16 O=C(CCF)C1=CCCCC1 1458a_100000765259_100011217306 [0,1,0,1,0,0|1,0,1]=4 8176 B11R1.16 O=C(CCF)C1CCCCC1 1458a_100000210647_100011217306 [0,1,0,1,0,0|1,0,1]=4 8177 B11R1.16 O=C(CCO)C1=CCCCC1 1458a_100000765259_100000211926 [0,1,0,1,0,0|0,0,1]=3 8178 B11R1.16 O=C(CCO)C1=CCCCO1 1458a_100000764163_100000211926 [0,1,0,1,0,0|1,0,1]=4 8179 B11R1.16 O=C(CCO)C1=COCCC1 1458a_100000749935_100000211926 [0,1,0,1,0,0|1,0,1]=4 8180 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100000210647_100000211926 [0,1,0,1,0,0|0,0,1]=3 8181 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100011216618_100000210327 [0,1,0,1,0,0|0,0,1]=3 8182 B11R1.16 O=C(CCO)C1CCCCO1 1458a_100000748299_100000211926 [0,1,0,1,0,0|1,0,1]=4 8183 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100000741522_100000211926 [0,1,0,1,0,0|1,0,1]=4 8184 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100011216618_100000693364 [0,1,0,1,0,0|1,0,1]=4 8185 B11R1.16 O=C(CCO)C1CCOCC1 1458a_100000195482_100000211926 [0,1,0,1,0,0|1,0,1]=4 8186 B11R1.16 O=C(CCO)C1CCOCC1 1458a_100011216618_100011324220 [0,1,0,1,0,0|1,0,1]=4 8187 B11R1.16 O=C(CCO)C1CCSCC1 1458a_100000755232_100000211926 [0,1,0,1,0,0|1,0,1]=4 8188 B11R1.16 O=C(CCO)N1CCCOC1 240690a_100000131196_100011216618 [0,1,0,1,0,0|2,0,0]=4 8189 B11R1.16 O=C(CCO)N1CCOCC1 240690a_100015191051_100011216618 [0,1,0,1,0,0|2,0,0]=4 8190 B11R1.16 O=C(CCO)N1CCSCC1 240690a_100000737611_100011216618 [0,1,0,1,0,0|2,0,0]=4 8191 B11R1.16 [13CH3]N(CCO)C1CCCCC1 2230a_100000200466_200025704644 [0,1,0,1,0,0|1,0,1]=4 8192 B11R1.16 [13CH3]N(CCO)C1CCCCC1 269982a_100000200466_200025704644 [0,1,0,1,0,0|1,0,1]=4 8193 B11R1.16 [13CH3]N(CCO)C1CCCCC1 34a_100000200466_200025704644 [0,1,0,1,0,0|1,0,1]=4 8194 B11R1.24 CC1CCCC(C1)NCCO 2230a_100011194320_100000211926 [0,1,0,1,0,0|1,0,1]=4 8195 B11R1.24 CC1CCCC(C1)NCCO 270004a_100000210304_100000183594 [0,1,0,1,0,0|1,0,1]=4 8196 B11R1.24 CC1CCCC(C1)NCCO 34a_100011194320_100000211926 [0,1,0,1,0,0|1,0,1]=4 8197 B11R1.24 CC1CCCC(C1)OCCO 34a_100000211399_100000211926 [0,1,0,1,0,0|1,0,1]=4 8198 B11R1.24 CCCOC1C=C(CCC1)C 34a_100011218613_100000210303 [0,1,0,1,0,0|2,0,0]=4 8199 B11R1.24 C[C@H]1CCCN(C1)CCCO 2230a_100000717927_100000230001 [0,1,0,1,0,0|1,0,1]=4 8200 B11R1.24 C[C@H]1CCCN(C1)CCCO 269982a_100000717927_100011215043 [0,1,0,1,0,0|1,0,1]=4 8201 B11R1.24 C[C@H]1CCCN(C1)CCCO 34a_100000717927_100000230001 [0,1,0,1,0,0|1,0,1]=4 8202 B11R1.24 OCCCN1CCCC(C1)F 2230a_100000697950_100000230001 [0,1,0,1,0,0|1,0,1]=4 8203 B11R1.24 OCCCN1CCCC(C1)F 269982a_100000697950_100011215043 [0,1,0,1,0,0|1,0,1]=4 8204 B11R1.24 OCCCN1CCCC(C1)F 34a_100000697950_100000230001 [0,1,0,1,0,0|1,0,1]=4 8205 B11R1.24 OCCCN1CCCC(C1)O 2230a_100000211013_100000230001 [0,1,0,1,0,0|1,0,1]=4 8206 B11R1.24 OCCCN1CCCC(C1)O 269982a_100000211013_100011215043 [0,1,0,1,0,0|1,0,1]=4 8207 B11R1.24 OCCNC1CCCC(C1)O 2230a_100015190357_100000211926 [0,1,0,1,0,0|1,0,1]=4 8208 B11R1.24 OCCNC1CCCC(C1)O 270004a_100000210304_100012613340 [0,1,0,1,0,0|1,0,1]=4 8209 B11R1.30 CC(CCO)NC1CCCC1 2230a_100000211070_100009893172 [0,1,0,1,0,0|1,0,1]=4 8210 B11R1.30 CC(CCO)NC1CCCC1 34a_100000211070_100009893172 [0,1,0,1,0,0|1,0,1]=4 8211 B11R1.30 CC(CCO)OC1CCCC1 34a_100000210269_100009893172 [0,1,0,1,0,0|1,0,1]=4 8212 B11R1.30 CC(CCO)OC1CCCC1 7a_100000210269_100009893172 [0,1,0,1,0,0|1,0,1]=4 8213 B11R1.30 CC(CCO)SC1CCCC1 62a_100009893172_100000179811 [0,1,0,1,0,0|1,0,1]=4 8214 B11R1.30 CC(CCO)SC1CCCC1 62a_100011217020_100009893172 [0,1,0,1,0,0|1,0,1]=4 8215 B11R1.30 CCCC(=O)C=C1CCCC1 1458a_100000743260_100000210303 [0,1,0,1,0,0|1,0,1]=4 8216 B11R1.30 CCCC(=O)CC1=CCCC1 1458a_100000050221_100000210303 [0,1,0,1,0,0|1,0,1]=4 8217 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000210891_100000210303 [0,1,0,1,0,0|1,0,1]=4 8218 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000211992_100000740388 [0,1,0,1,0,0|1,0,1]=4 8219 B11R1.30 CCCC(=O)NC1CCCC1 11a_100000211070_100000211992 [0,1,0,1,0,0|2,0,0]=4 8220 B11R1.30 CCCC(=O)NC1CCCC1 1626a_100000211070_100000211992 [0,1,0,1,0,0|2,0,0]=4 8221 B11R1.30 CCCC(=O)NC1CCCC1 240690a_100000211070_100000211992 [0,1,0,1,0,0|2,0,0]=4 8222 B11R1.30 CCCC(=O)NC1CCCC1 527a_100000211070_100000211992 [0,1,0,1,0,0|2,0,0]=4 8223 B11R1.30 CN(CCO)CC1CCCC1 2230a_100000210263_100000740388 [0,1,0,1,0,0|1,0,1]=4 8224 B11R1.30 CN(CCO)CC1CCCC1 269982a_100000210263_100000740388 [0,1,0,1,0,0|1,0,1]=4 8225 B11R1.30 C[C@H](CCO)NC1CCCC1 2230a_100000706166_100000179811 [0,1,0,1,0,0|1,0,1]=4 8226 B11R1.30 C[C@H](CCO)NC1CCCC1 270004a_100000706166_100000210133 [0,1,0,1,0,0|1,0,1]=4 8227 B11R1.30 C[C@H](CCO)NC1CCCC1 34a_100000706166_100000179811 [0,1,0,1,0,0|1,0,1]=4 8228 B11R1.30 O=C(C=C1CCCC1)CCF 1458a_100000743260_100011217306 [0,1,0,1,0,0|1,0,1]=4 8229 B11R1.30 O=C(C=C1CCCC1)CCO 1458a_100000743260_100000211926 [0,1,0,1,0,0|0,0,1]=3 8230 B11R1.30 O=C(CCF)CC1CCCC1 1458a_100000210891_100011217306 [0,1,0,1,0,0|1,0,1]=4 8231 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100000210891_100000211926 [0,1,0,1,0,0|0,0,1]=3 8232 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100011216618_100000740388 [0,1,0,1,0,0|0,0,1]=3 8233 B11R1.30 O=C(CCO)CC1CCCO1 1458a_100011216618_100000203698 [0,1,0,1,0,0|1,0,1]=4 8234 B11R1.30 O=C(CCO)CC1CCOC1 1458a_100011216618_100000702531 [0,1,0,1,0,0|1,0,1]=4 8235 B11R1.30 O=C(CCO)CC1CCOC1 1458a_100011218419_100000211926 [0,1,0,1,0,0|1,0,1]=4 8236 B11R1.30 O=C(CCO)CN1CCCC1 1458a_100000740243_100000211926 [0,1,0,1,0,0|1,0,1]=4 8237 B11R1.30 O=C(CCO)NC1CCCC1 240690a_100000211070_100011216618 [0,1,0,1,0,0|1,0,0]=3 8238 B11R1.30 O=C(CCO)N[C@@H]1CCOC1 240690a_200015188469_100011216618 [0,1,0,1,0,0|2,0,0]=4 8239 B11R1.30 O=C(CCO)N[C@H]1CCOC1 240690a_100015188467_100011216618 [0,1,0,1,0,0|2,0,0]=4 8240 B11R1.78 CCCCCCN1CC(C1)O 269982a_100000749847_100000210757 [0,1,0,1,0,0|1,0,1]=4 8241 B11R1.78 CCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210326 [0,1,0,1,0,0|1,0,1]=4 8242 B11R1.78 OCCCNCC1CC(C1)O 2230a_100016992100_100000230001 [0,1,0,1,0,0|1,0,1]=4 8243 B11R1.78 OCCCOCC1CC(C1)Cl 34a_100009874164_100000230001 [0,1,0,1,0,0|1,0,1]=4 8244 B11R1.110 OCCN1CCCCC(C1)O 2230a_100025706797_100000211926 [0,1,0,1,0,0|1,0,1]=4 8245 B11R1.110 OCCN1CCCCC(C1)O 269982a_100025706797_100000211926 [0,1,0,1,0,0|1,0,1]=4 8246 B11R1.117 CCOC1C=CCCCCC1 34a_100000688657_100000210202 [0,1,0,1,0,0|1,0,0]=3 8247 B11R1.117 CCOC1CC/C=C\CCC1 34a_100016989180_100000210202 [0,1,0,1,0,0|1,0,0]=3 8248 B11R1.117 CCOC1CC/C=C\CCC1 34a_100121572206_100021000466 [0,1,0,1,0,0|1,0,0]=3 8249 B11R1.117 CCSC1CC/C=C\CCC1 62a_100000210202_100021000466 [0,1,0,1,0,0|1,0,0]=3 8250 B11R1.117 CCSC1CC/C=C\CCC1 62a_100021000466_100000210202 [0,1,0,1,0,0|1,0,0]=3 8251 B11R1.117 CNCC1CC/C=C\CCC1 2230a_100102730862_200000210301 [0,1,0,1,0,0|1,0,0]=3 8252 B11R1.117 CNCC1CC/C=C\CCC1 34a_100102730862_200000210301 [0,1,0,1,0,0|1,0,0]=3 8253 B11R1.117 COCC1CCCCCCC1 34a_100011216312_200000210301 [0,1,0,1,0,0|0,0,2]=4 8254 B11R1.117 COCC1CCCCCCC1 7a_100011216312_200000210301 [0,1,0,1,0,0|0,0,2]=4 8255 B11R1.117 FCOC1C=CCCCCC1 34a_100000688657_100015361967 [0,1,0,1,0,0|1,0,0]=3 8256 B11R1.117 FCOC1CC/C=C\CCC1 34a_100016989180_100015361967 [0,1,0,1,0,0|2,0,0]=4 8257 B11R1.117 FCSC1CC/C=C\CCC1 62a_100015361967_100021000466 [0,1,0,1,0,0|2,0,0]=4 8258 B11R1.117 FCSC1CC/C=C\CCC1 62a_100021000466_100015361967 [0,1,0,1,0,0|2,0,0]=4 8259 B11R1.117 OCCN1CCCCCCC1 2230a_100000211400_100000211926 [0,1,0,1,0,0|0,0,2]=4 8260 B11R1.117 OCCN1CCCCCCC1 269982a_100000211400_100000211926 [0,1,0,1,0,0|0,0,2]=4 8261 B11R1.117 OCCN1CCCCCCC1 34a_100000211400_100000211926 [0,1,0,1,0,0|0,0,2]=4 8262 B11R1.117 [13CH3]NCC1CC/C=C\CCC1 2230a_100102730862_200025704644 [0,1,0,1,0,0|1,0,0]=3 8263 B11R1.117 [13CH3]NCC1CC/C=C\CCC1 34a_100102730862_200025704644 [0,1,0,1,0,0|1,0,0]=3 8264 B11R1.117 [13CH3]OCC1CCCCCCC1 34a_100011216312_200025704644 [0,1,0,1,0,0|0,0,2]=4 8265 B11R1.117 [13CH3]OCC1CCCCCCC1 7a_100011216312_200025704644 [0,1,0,1,0,0|0,0,2]=4 8266 B11R1.135 CC1CCCN(CC1)CCO 2230a_100025706717_100000211926 [0,1,0,1,0,0|1,0,1]=4 8267 B11R1.135 CC1CCCN(CC1)CCO 269982a_100025706717_100000211926 [0,1,0,1,0,0|1,0,1]=4 8268 B11R1.135 CC1CCCN(CC1)CCO 34a_100025706717_100000211926 [0,1,0,1,0,0|1,0,1]=4 8269 B11R1.135 OCCN1CCCC(CC1)O 2230a_100015186869_100000211926 [0,1,0,1,0,0|1,0,1]=4 8270 B11R1.135 OCCN1CCCC(CC1)O 269982a_100015186869_100000211926 [0,1,0,1,0,0|1,0,1]=4 8271 B11R1.180 CC1CCCC1=NNCCO 4a_100000210001_100000752053 [0,1,0,1,0,0|1,0,0]=3 8272 B11R1.180 CC1CCCC1NCCCO 269862a_100000182051_100000752053 [0,1,0,1,0,0|0,0,2]=4 8273 B11R1.180 CC1CCCC1OCCCO 34a_100011216460_100000230001 [0,1,0,1,0,0|0,0,2]=4 8274 B11R1.180 CC1CCCC1OCCCO 7a_100011216460_100011215043 [0,1,0,1,0,0|0,0,2]=4 8275 B11R1.180 CC1OCCC1=NNCCO 4a_100000210001_100000691750 [0,1,0,1,0,0|2,0,0]=4 8276 B11R1.180 CC1OCCC1NCCCO 270004a_100000182051_100000691750 [0,1,0,1,0,0|1,0,1]=4 8277 B11R1.180 CC1SCCC1=NNCCO 4a_100000210001_100000766762 [0,1,0,1,0,0|2,0,0]=4 8278 B11R1.180 CCCCNC1COCC1O 7a_106832991798_200000725654 [0,1,0,1,0,0|1,0,1]=4 8279 B11R1.180 CCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210211 [0,1,0,1,0,0|1,0,1]=4 8280 B11R1.180 CCCCOC1COCC1O 34a_100000210227_200000725654 [0,1,0,1,0,0|1,0,1]=4 8281 B11R1.180 CCCCOC1COCC1O 7a_100000210227_200000725654 [0,1,0,1,0,0|1,0,1]=4 8282 B11R1.180 CCCCSC1COCC1O 62a_100000210211_200000725654 [0,1,0,1,0,0|1,0,1]=4 8283 B11R1.180 CCCCSC1COCC1O 62a_200000725654_100000210210 [0,1,0,1,0,0|1,0,1]=4 8284 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_100000210211_200016002552 [0,1,0,1,0,0|0,0,2]=4 8285 B11R1.180 CCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210210 [0,1,0,1,0,0|0,0,2]=4 8286 B11R1.180 CCCNN=C1CCCC1C 4a_100000740057_100000752053 [0,1,0,1,0,0|2,0,0]=4 8287 B11R1.180 CCCOCC1=CCCC1=O 34a_100000087531_100000210303 [0,1,0,1,0,0|1,0,1]=4 8288 B11R1.180 CN1CCCC1COCCO 34a_100000743107_100000211926 [0,1,0,1,0,0|1,0,1]=4 8289 B11R1.180 COCCCN1CCC[C@@H]1C 2230a_100020605311_100000740836 [0,1,0,1,0,0|1,0,1]=4 8290 B11R1.180 COCCCN1CCC[C@@H]1C 269982a_100020605311_100000740836 [0,1,0,1,0,0|1,0,1]=4 8291 B11R1.180 COCCCN1CCC[C@H]1C 2230a_100015189458_100000740836 [0,1,0,1,0,0|1,0,1]=4 8292 B11R1.180 COCCCN1CCC[C@H]1C 269982a_100015189458_100000740836 [0,1,0,1,0,0|1,0,1]=4 8293 B11R1.180 COCCCN1CCC[C@H]1C 34a_100015189458_100000740836 [0,1,0,1,0,0|1,0,1]=4 8294 B11R1.180 COCCNC1CCCC1C 269862a_100000209980_100000752053 [0,1,0,1,0,0|1,0,1]=4 8295 B11R1.180 COCCOC1CCCC1C 34a_100011216460_100011201679 [0,1,0,1,0,0|1,0,1]=4 8296 B11R1.180 COCCOC1CCCC1C 7a_100011216460_100000233755 [0,1,0,1,0,0|1,0,1]=4 8297 B11R1.180 C[C@@H]1CCCN1CCCCO 2230a_100015189458_100000210776 [0,1,0,1,0,0|0,0,2]=4 8298 B11R1.180 C[C@@H]1CCCN1CCCCO 269982a_100015189458_100000210776 [0,1,0,1,0,0|0,0,2]=4 8299 B11R1.180 C[C@@H]1CCCN1CCCCO 34a_100015189458_100011216708 [0,1,0,1,0,0|0,0,2]=4 8300 B11R1.180 C[C@@H]1CNC[C@@H]1OCCCO 34a_200015306588_100000230001 [0,1,0,1,0,0|1,0,1]=4 8301 B11R1.180 C[C@H]1CCCN1CCCCO 2230a_100020605311_100000210776 [0,1,0,1,0,0|0,0,2]=4 8302 B11R1.180 C[C@H]1CCCN1CCCCO 269982a_100020605311_100000210776 [0,1,0,1,0,0|0,0,2]=4 8303 B11R1.180 N[C@H]1CCC[C@@H]1OCCCO 34a_100000748460_100000230001 [0,1,0,1,0,0|1,0,1]=4 8304 B11R1.180 OCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000230001 [0,1,0,1,0,0|1,0,1]=4 8305 B11R1.180 OCCCS[C@@H]1CCC[C@H]1O 62a_100011215043_200016002552 [0,1,0,1,0,0|1,0,1]=4 8306 B11R1.180 OCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215043 [0,1,0,1,0,0|1,0,1]=4 8307 B11R1.180 OCCNN=C1CCCC1O 4a_100000210001_200000719330 [0,1,0,1,0,0|2,0,0]=4 8308 B11R1.199 CC(CCO)N1CCC[C@@H]1C 2230a_100020605311_100009893172 [0,1,0,1,0,0|1,0,1]=4 8309 B11R1.199 CC(CCO)N1CCC[C@@H]1C 269982a_100020605311_100009893172 [0,1,0,1,0,0|1,0,1]=4 8310 B11R1.199 CC(CCO)N1CCC[C@H]1C 2230a_100015189458_100009893172 [0,1,0,1,0,0|1,0,1]=4 8311 B11R1.199 CC(CCO)N1CCC[C@H]1C 269982a_100015189458_100009893172 [0,1,0,1,0,0|1,0,1]=4 8312 B11R1.199 CC(CCO)N1CCC[C@H]1C 34a_100015189458_100009893172 [0,1,0,1,0,0|1,0,1]=4 8313 B11R1.199 CC1CCCC1C(=O)CCF 1458a_100000690547_100011217306 [0,1,0,1,0,0|1,0,1]=4 8314 B11R1.199 CC1CCCC1C(=O)CCO 1458a_100000690547_100000211926 [0,1,0,1,0,0|0,0,1]=3 8315 B11R1.199 CC1SCCN1C(=O)CCO 240690a_200011216479_100011216618 [0,1,0,1,0,0|2,0,0]=4 8316 B11R1.199 CCCC(=O)C1CCCC1C 1458a_100000690547_100000210303 [0,1,0,1,0,0|1,0,1]=4 8317 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211992 [0,1,0,1,0,0|2,0,0]=4 8318 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000211992 [0,1,0,1,0,0|2,0,0]=4 8319 B11R1.199 CCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000211992 [0,1,0,1,0,0|2,0,0]=4 8320 B11R1.199 CCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211992 [0,1,0,1,0,0|2,0,0]=4 8321 B11R1.199 CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000211992 [0,1,0,1,0,0|2,0,0]=4 8322 B11R1.199 CN1CCC[C@H]1C(=O)CCO 1458a_100009816429_100000211926 [0,1,0,1,0,0|1,0,1]=4 8323 B11R1.199 C[C@@H]1CCCN1C(=O)CCO 240690a_100015189458_100011216618 [0,1,0,1,0,0|1,0,0]=3 8324 B11R1.199 C[C@H]1CCCN1C(=O)CCO 240690a_100020605311_100011216618 [0,1,0,1,0,0|1,0,0]=3 8325 B11R1.288 CC(CCO)OCC1CC1C 34a_100000744939_100009893172 [0,1,0,1,0,0|1,0,1]=4 8326 B11R1.288 CC(CCO)OCC1CC1C 7a_100000744939_100009893172 [0,1,0,1,0,0|1,0,1]=4 8327 B11R1.289 CC(CCO)NCC1CCC1 2230a_100000738700_100009893172 [0,1,0,1,0,0|1,0,1]=4 8328 B11R1.289 CC(CCO)NCC1CCC1 34a_100000738700_100009893172 [0,1,0,1,0,0|1,0,1]=4 8329 B11R1.289 CC(CCO)OCC1CCC1 34a_100000760304_100009893172 [0,1,0,1,0,0|1,0,1]=4 8330 B11R1.289 CC(CCO)SCC1CCC1 62a_100000763275_100009893172 [0,1,0,1,0,0|1,0,1]=4 8331 B11R1.289 CC(CCO)SCC1CCC1 62a_100009893172_100000763275 [0,1,0,1,0,0|1,0,1]=4 8332 B11R1.289 CCCC(=O)NCC1CCC1 11a_100000738700_100000211992 [0,1,0,1,0,0|2,0,0]=4 8333 B11R1.289 CCCC(=O)NCC1CCC1 1626a_100000738700_100000211992 [0,1,0,1,0,0|2,0,0]=4 8334 B11R1.289 CCCC(=O)NCC1CCC1 240690a_100000738700_100000211992 [0,1,0,1,0,0|2,0,0]=4 8335 B11R1.289 CCCC(=O)NCC1CCC1 527a_100000738700_100000211992 [0,1,0,1,0,0|2,0,0]=4 8336 B11R1.289 C[C@H](CCO)NCC1CCC1 2230a_100000706166_100000763275 [0,1,0,1,0,0|1,0,1]=4 8337 B11R1.289 C[C@H](CCO)NCC1CCC1 269862a_100000706166_100000753134 [0,1,0,1,0,0|1,0,1]=4 8338 B11R1.289 C[C@H](CCO)NCC1CCC1 34a_100000706166_100000763275 [0,1,0,1,0,0|1,0,1]=4 8339 B11R1.289 O=C(CCO)NCC1CCC1 240690a_100000738700_100011216618 [0,1,0,1,0,0|1,0,0]=3 8340 B11R1.289 O=C(CCO)NCC1COC1 240690a_100015281925_100011216618 [0,1,0,1,0,0|2,0,0]=4 8341 B11R1.289 O=C(CCO)NC[C@@H]1CCO1 240690a_100020831831_100011216618 [0,1,0,1,0,0|2,0,0]=4 8342 B11R1.289 O=C(CCO)NNC1CCC1 22a_100000736358_100011216618 [0,1,0,1,0,0|2,0,0]=4 8343 B11R1.290 CC(CCO)NCCC1CC1 34a_100000764129_100009893172 [0,1,0,1,0,0|1,0,1]=4 8344 B11R1.290 CC(CCO)OCCC1CC1 34a_100000754188_100009893172 [0,1,0,1,0,0|1,0,1]=4 8345 B11R1.290 CC(CCO)OCCC1CC1 7a_100000754188_100009893172 [0,1,0,1,0,0|1,0,1]=4 8346 B11R1.290 CC(CCO)SCCC1CC1 62a_100000764125_100009893172 [0,1,0,1,0,0|1,0,1]=4 8347 B11R1.290 CC(CCO)SCCC1CC1 62a_100009893172_100000764125 [0,1,0,1,0,0|1,0,1]=4 8348 B11R1.290 CCCC(=O)NCCC1CC1 1626a_100000764129_100000211992 [0,1,0,1,0,0|2,0,0]=4 8349 B11R1.290 CCCC(=O)NCCC1CC1 240690a_100000764129_100000211992 [0,1,0,1,0,0|2,0,0]=4 8350 B11R1.290 CCCC(=O)NCCC1CC1 527a_100000764129_100000211992 [0,1,0,1,0,0|2,0,0]=4 8351 B11R1.290 CCCC(C)COCC1CO1 34a_100000688023_102125554688 [0,1,0,1,0,0|1,0,1]=4 8352 B11R1.290 CCCC(C)COCC1CO1 7a_100000688023_102125554688 [0,1,0,1,0,0|1,0,1]=4 8353 B11R1.290 CCCC(C)COC[C@@H]1CO1 34a_100000757423_100011216630 [0,1,0,1,0,0|1,0,1]=4 8354 B11R1.290 CCCC(C)COC[C@@H]1CO1 7a_100000688023_100000745022 [0,1,0,1,0,0|1,0,1]=4 8355 B11R1.290 CCCC(C)CSCC1CO1 62a_100011216630_102125554688 [0,1,0,1,0,0|1,0,1]=4 8356 B11R1.290 CCCC(C)CSCC1CO1 62a_102125554688_100011216630 [0,1,0,1,0,0|1,0,1]=4 8357 B11R1.290 CCCC(C)CSC[C@@H]1CO1 62a_100000745022_100011216630 [0,1,0,1,0,0|1,0,1]=4 8358 B11R1.290 CCCC(C)CSC[C@@H]1CO1 62a_100011216630_100000745022 [0,1,0,1,0,0|1,0,1]=4 8359 B11R1.290 CCC[C@H](N)COCC1CO1 34a_100000732646_102125554688 [0,1,0,1,0,0|1,0,1]=4 8360 B11R1.290 C[C@H](CCO)NCCC1CC1 2230a_100000706166_100000694398 [0,1,0,1,0,0|1,0,1]=4 8361 B11R1.290 C[C@H](CCO)NCCC1CC1 34a_100000706166_100000694398 [0,1,0,1,0,0|1,0,1]=4 8362 B11R1.290 O=C(CCO)CCCC1CO1 1458a_100011216618_100000733510 [0,1,0,1,0,0|1,0,1]=4 8363 B11R1.290 O=C(CCO)CSCC1CC1 1458a_200011316215_100000211926 [0,1,0,1,0,0|1,0,1]=4 8364 B11R1.290 O=C(CCO)NCCC1CC1 240690a_100000764129_100011216618 [0,1,0,1,0,0|1,0,0]=3 8365 B11R1.290 O=C(CCO)NNCC1CC1 22a_100000736359_100011216618 [0,1,0,1,0,0|2,0,0]=4 8366 B11R1.356 CCCCCCC(=O)C1CC1 1458a_100000210395_100000210757 [0,1,0,1,0,0|1,0,1]=4 8367 B11R1.356 CCCCCCC(=O)C1CO1 1458a_100000701028_100000210757 [0,1,0,1,0,0|0,0,1]=3 8368 B11R1.356 CCCCCNC(=O)C1CC1 11a_100000209983_100000210395 [0,1,0,1,0,0|2,0,0]=4 8369 B11R1.356 CCCCCNC(=O)C1CC1 1626a_100000209983_100000210395 [0,1,0,1,0,0|2,0,0]=4 8370 B11R1.356 CCCCCNC(=O)C1CC1 240690a_100000209983_100000210395 [0,1,0,1,0,0|2,0,0]=4 8371 B11R1.356 CCCCCNC(=O)C1CC1 527a_100000209983_100000210395 [0,1,0,1,0,0|2,0,0]=4 8372 B11R1.356 CCCCCNC(=O)C1CO1 11a_100000209983_100000701028 [0,1,0,1,0,0|1,0,0]=3 8373 B11R1.356 CCCCCNC(=O)C1CO1 1626a_100000209983_100000701028 [0,1,0,1,0,0|1,0,0]=3 8374 B11R1.356 CCCCCNC(=O)C1CO1 240690a_100000209983_100000701028 [0,1,0,1,0,0|1,0,0]=3 8375 B11R1.356 CCCCCNC(=O)C1CO1 527a_100000209983_100000701028 [0,1,0,1,0,0|1,0,0]=3 8376 B11R1.356 CCCCCNC(C)C1CO1 270004a_100000209983_100000031964 [0,1,0,1,0,0|1,0,1]=4 8377 B11R1.356 CCCCNN=C(C)C1CO1 4a_100025702795_100000031964 [0,1,0,1,0,0|2,0,0]=4 8378 B11R1.356 CCCCNNC(=O)C1CO1 22a_100025702795_100000701028 [0,1,0,1,0,0|2,0,0]=4 8379 B11R1.356 CCCCOCC(=O)C1CO1 1458a_100000701028_100011995733 [0,1,0,1,0,0|1,0,1]=4 8380 B11R1.356 CCCOCCC(=O)C1CO1 1458a_100000701028_100011215938 [0,1,0,1,0,0|1,0,1]=4 8381 B11R1.356 CCOCCCC(=O)C1CO1 1458a_100000701028_100012232248 [0,1,0,1,0,0|1,0,1]=4 8382 B11R1.356 CCOCCNC(=O)C1CO1 11a_100011200944_100000701028 [0,1,0,1,0,0|2,0,0]=4 8383 B11R1.356 CCOCCNC(=O)C1CO1 1626a_102516460346_100000701028 [0,1,0,1,0,0|2,0,0]=4 8384 B11R1.356 CCOCCNC(=O)C1CO1 240690a_100011200944_100000701028 [0,1,0,1,0,0|2,0,0]=4 8385 B11R1.356 CCOCCNC(=O)C1CO1 527a_100011200944_100000701028 [0,1,0,1,0,0|2,0,0]=4 8386 B11R1.356 CCSCCNC(=O)C1CO1 11a_100000106463_100000701028 [0,1,0,1,0,0|2,0,0]=4 8387 B11R1.356 CCSCCNC(=O)C1CO1 1626a_100000106463_100000701028 [0,1,0,1,0,0|2,0,0]=4 8388 B11R1.356 CCSCCNC(=O)C1CO1 240690a_100000106463_100000701028 [0,1,0,1,0,0|2,0,0]=4 8389 B11R1.356 CCSCCNC(=O)C1CO1 527a_100000106463_100000701028 [0,1,0,1,0,0|2,0,0]=4 8390 B11R1.356 COCCCCC(=O)C1CO1 1458a_100000701028_100000755781 [0,1,0,1,0,0|1,0,1]=4 8391 B11R1.356 COCCCNC(=O)C1CO1 1626a_100150723488_100000701028 [0,1,0,1,0,0|2,0,0]=4 8392 B11R1.356 COCCCNC(=O)C1CO1 240690a_100150723488_100000701028 [0,1,0,1,0,0|2,0,0]=4 8393 B11R1.356 COCCCNC(=O)C1CO1 527a_100150723488_100000701028 [0,1,0,1,0,0|2,0,0]=4 8394 B11R1.356 CSCCCNC(=O)C1CO1 11a_100000749238_100000701028 [0,1,0,1,0,0|2,0,0]=4 8395 B11R1.356 CSCCCNC(=O)C1CO1 1626a_100000749238_100000701028 [0,1,0,1,0,0|2,0,0]=4 8396 B11R1.356 CSCCCNC(=O)C1CO1 240690a_100000749238_100000701028 [0,1,0,1,0,0|2,0,0]=4 8397 B11R1.356 CSCCCNC(=O)C1CO1 527a_100000749238_100000701028 [0,1,0,1,0,0|2,0,0]=4 8398 B11R1.356 N[C@@H](COCCCO)C1CC1 34a_100020623730_100000230001 [0,1,0,1,0,0|1,0,1]=4 8399 B11R1.356 O=C(CCCCCF)C1CO1 1458a_100000701028_100000729378 [0,1,0,1,0,0|1,0,1]=4 8400 B11R1.356 O=C(CCCCCO)C1CO1 1458a_100000701028_100000746330 [0,1,0,1,0,0|1,0,1]=4 8401 B11R1.356 O=C(NCCCCO)C1CO1 240690a_100000750430_100000701028 [0,1,0,1,0,0|2,0,0]=4 8402 B11R1.356 O=C(NCCCCO)C1CO1 527a_100000750430_100000701028 [0,1,0,1,0,0|2,0,0]=4 8403 B11R1.356 OCCCNCC(O)C1CC1 2230a_100000751198_100000230001 [0,1,0,1,0,0|1,0,1]=4 8404 B11R1.356 OCCCNCC(O)C1CC1 34a_100000751198_100000230001 [0,1,0,1,0,0|1,0,1]=4 8405 B11R1.899 CC1(CCC1)CNCCCO 2230a_100000706607_100000230001 [0,1,0,1,0,0|1,0,1]=4 8406 B11R1.899 CC1(CCC1)CSCCCO 62a_100000726658_100011215043 [0,1,0,1,0,0|1,0,1]=4 8407 B11R1.899 CC1(CCC1)CSCCCO 62a_100011215043_100000726658 [0,1,0,1,0,0|1,0,1]=4 8408 B11R1.899 OCCCNCC1(CCC1)O 2230a_100000752638_100000230001 [0,1,0,1,0,0|1,0,1]=4 8409 B11R1.27 CC1CCC(C1)NCCCO 270004a_100000182051_100011215218 [0,1,0,1,0,0|1,0,1]=4 8410 B11R1.27 CC1CCC(C1)OCCCO 34a_100000698185_100000230001 [0,1,0,1,0,0|1,0,1]=4 8411 B11R1.27 CCCCCN1CCC(C1)O 2230a_100011215560_100000210326 [0,1,0,1,0,0|1,0,1]=4 8412 B11R1.27 CCCCCN1CCC(C1)O 269982a_100011215560_100000210215 [0,1,0,1,0,0|1,0,1]=4 8413 B11R1.27 OCCCNC1CCC(C1)O 270004a_100000182051_100012614533 [0,1,0,1,0,0|1,0,1]=4 8414 B11R1.27 OCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000230001 [0,1,0,1,0,0|1,0,1]=4 8415 B11R1.46 CC1CC1COCCCCO 34a_100000744939_100011216708 [0,1,0,1,0,0|0,0,2]=4 8416 B11R1.46 CC1CC1COCCCCO 7a_100000744939_100000210776 [0,1,0,1,0,0|0,0,2]=4 8417 B11R1.46 COCCCOCC1CC1C 34a_100000744939_100000740836 [0,1,0,1,0,0|1,0,1]=4 8418 B11R1.46 COCCCOCC1CC1C 7a_100000744939_100000740836 [0,1,0,1,0,0|1,0,1]=4 8419 B11R1.57 CCC1C=CCN1CC(C)C 2230a_100000730860_100000210760 [0,1,0,1,0,0|2,0,0]=4 8420 B11R1.57 CCC1C=CCN1CC(C)C 269982a_100000730860_100000210624 [0,1,0,1,0,0|2,0,0]=4 8421 B11R1.57 CCC1C=CCN1CC(C)C 34a_100000730860_100000210624 [0,1,0,1,0,0|2,0,0]=4 8422 B11R1.57 CCC1C=CCN1CC(C)O 2230a_100000730860_100011218427 [0,1,0,1,0,0|2,0,0]=4 8423 B11R1.57 CCC1C=CCN1CC(C)O 269982a_100000730860_100011218427 [0,1,0,1,0,0|2,0,0]=4 8424 B11R1.57 CCC1C=CCN1CC(C)O 34a_100000730860_100011218427 [0,1,0,1,0,0|2,0,0]=4 8425 B11R1.57 CCC1C=CCN1C[C@@H](C)O 2230a_100000730860_100009817552 [0,1,0,1,0,0|2,0,0]=4 8426 B11R1.57 CCC1C=CCN1C[C@@H](C)O 269982a_100000730860_100009817552 [0,1,0,1,0,0|2,0,0]=4 8427 B11R1.57 CCC1C=CCN1C[C@@H](C)O 34a_100000730860_100009817552 [0,1,0,1,0,0|2,0,0]=4 8428 B11R1.57 CCC1CCCN1CC(C)O 2230a_100000754278_100011218427 [0,1,0,1,0,0|1,0,1]=4 8429 B11R1.57 CCC1CCCN1CC(C)O 269982a_100000754278_100011218427 [0,1,0,1,0,0|1,0,1]=4 8430 B11R1.57 CCC1CCCN1CC(C)O 34a_100000754278_100011218427 [0,1,0,1,0,0|1,0,1]=4 8431 B11R1.57 CCC1CCCN1C[C@@H](C)O 2230a_100000754278_100009817552 [0,1,0,1,0,0|1,0,1]=4 8432 B11R1.57 CCC1CCCN1C[C@@H](C)O 269982a_100000754278_100009817552 [0,1,0,1,0,0|1,0,1]=4 8433 B11R1.57 CCC1CCCN1C[C@@H](C)O 34a_100000754278_100009817552 [0,1,0,1,0,0|1,0,1]=4 8434 B11R1.86 CC(O)CN1CCCCC1C 2230a_100000211376_100011218427 [0,1,0,1,0,0|1,0,1]=4 8435 B11R1.86 CC(O)CN1CCCCC1C 269982a_100000211376_100011218427 [0,1,0,1,0,0|1,0,1]=4 8436 B11R1.86 CC(O)CN1CCCCC1C 34a_100000211376_100011218427 [0,1,0,1,0,0|1,0,1]=4 8437 B11R1.86 CC1CC=CCC1CN(C)C 270004a_100102631434_100000117039 [0,1,0,1,0,0|2,0,0]=4 8438 B11R1.86 CC1CCCCN1C[C@@H](C)O 2230a_100000211376_100009817552 [0,1,0,1,0,0|1,0,1]=4 8439 B11R1.86 CC1CCCCN1C[C@@H](C)O 269982a_100000211376_100009817552 [0,1,0,1,0,0|1,0,1]=4 8440 B11R1.86 CC1CCCCN1C[C@@H](C)O 34a_100000211376_100009817552 [0,1,0,1,0,0|1,0,1]=4 8441 B11R1.90 CC(O)CCN1CCC[C@@H]1C 2230a_100020605311_100012276601 [0,1,0,1,0,0|1,0,1]=4 8442 B11R1.90 CC(O)CCN1CCC[C@@H]1C 269982a_100020605311_100012276601 [0,1,0,1,0,0|1,0,1]=4 8443 B11R1.90 CC(O)CCN1CCC[C@H]1C 2230a_100015189458_100012276601 [0,1,0,1,0,0|1,0,1]=4 8444 B11R1.90 CC(O)CCN1CCC[C@H]1C 269982a_100015189458_100012276601 [0,1,0,1,0,0|1,0,1]=4 8445 B11R1.90 CC(O)CCN1CCC[C@H]1C 34a_100015189458_100012276601 [0,1,0,1,0,0|1,0,1]=4 8446 B11R1.90 CC(O)CNC1CCCC1C 269862a_100000210904_100000752053 [0,1,0,1,0,0|1,0,1]=4 8447 B11R1.90 CC(O)COC1CCCC1C 34a_100011216460_100011218427 [0,1,0,1,0,0|1,0,1]=4 8448 B11R1.90 CC(O)COC1CCCC1C 7a_100011216460_100011218427 [0,1,0,1,0,0|1,0,1]=4 8449 B11R1.90 CC1CCCC1OC[C@@H](C)O 34a_100011216460_100009817552 [0,1,0,1,0,0|1,0,1]=4 8450 B11R1.90 CC1CCCC1OC[C@@H](C)O 7a_100011216460_100009817552 [0,1,0,1,0,0|1,0,1]=4 8451 B11R1.91 CC(C)CNC1C=CCCC1 2230a_100000210953_100000751183 [0,1,0,1,0,0|2,0,0]=4 8452 B11R1.91 CC(C)COC1C=CCCC1 34a_100011215024_100000210624 [0,1,0,1,0,0|2,0,0]=4 8453 B11R1.91 CC(C)CSC1C=CCCC1 62a_100000210624_100000751183 [0,1,0,1,0,0|2,0,0]=4 8454 B11R1.91 CC(C)CSC1C=CCCC1 62a_100000751183_100000210760 [0,1,0,1,0,0|2,0,0]=4 8455 B11R1.91 CC(O)CNC1C=CCCC1 2230a_100000210904_100000751183 [0,1,0,1,0,0|2,0,0]=4 8456 B11R1.91 CC(O)CNC1CCCCC1 2230a_100000182618_100011218427 [0,1,0,1,0,0|1,0,1]=4 8457 B11R1.91 CC(O)CNC1CCCCC1 270004a_100000210904_100000210434 [0,1,0,1,0,0|1,0,1]=4 8458 B11R1.91 CC(O)CNC1CCCCC1 34a_100000182618_100011218427 [0,1,0,1,0,0|1,0,1]=4 8459 B11R1.91 CC(O)CNC1CCCCC1 34a_100000210904_100000210327 [0,1,0,1,0,0|1,0,1]=4 8460 B11R1.91 CC(O)COC1C=CCCC1 34a_100011215024_100011218427 [0,1,0,1,0,0|2,0,0]=4 8461 B11R1.91 CC(O)COC1CCCCC1 34a_100000210231_100011218427 [0,1,0,1,0,0|1,0,1]=4 8462 B11R1.91 CC(O)COC1CCCCC1 7a_100000210231_100011218427 [0,1,0,1,0,0|1,0,1]=4 8463 B11R1.91 CC(O)CSC1C=CCCC1 62a_100000751183_100011218427 [0,1,0,1,0,0|2,0,0]=4 8464 B11R1.91 CC(O)CSC1C=CCCC1 62a_100011218427_100000751183 [0,1,0,1,0,0|2,0,0]=4 8465 B11R1.91 CC(O)CSC1CCCCC1 62a_100000210327_100011218427 [0,1,0,1,0,0|1,0,1]=4 8466 B11R1.91 CC(O)CSC1CCCCC1 62a_100011218427_100000210327 [0,1,0,1,0,0|1,0,1]=4 8467 B11R1.91 C[C@@H](O)CNC1CCCCC1 2230a_100000182618_100009817552 [0,1,0,1,0,0|1,0,1]=4 8468 B11R1.91 C[C@@H](O)CNC1CCCCC1 34a_100000182618_100009817552 [0,1,0,1,0,0|1,0,1]=4 8469 B11R1.91 C[C@@H](O)COC1C=CCCC1 34a_100011215024_100009817552 [0,1,0,1,0,0|2,0,0]=4 8470 B11R1.91 C[C@@H](O)COC1CCCCC1 34a_100000210231_100009817552 [0,1,0,1,0,0|1,0,1]=4 8471 B11R1.91 C[C@@H](O)COC1CCCCC1 7a_100000210231_100009817552 [0,1,0,1,0,0|1,0,1]=4 8472 B11R1.91 C[C@@H](O)CSC1C=CCCC1 62a_100000751183_100009817552 [0,1,0,1,0,0|2,0,0]=4 8473 B11R1.91 C[C@@H](O)CSC1C=CCCC1 62a_100009817552_100000751183 [0,1,0,1,0,0|2,0,0]=4 8474 B11R1.91 C[C@@H](O)CSC1CCCCC1 62a_100000210327_100009817552 [0,1,0,1,0,0|1,0,1]=4 8475 B11R1.91 C[C@@H](O)CSC1CCCCC1 62a_100009817552_100000210327 [0,1,0,1,0,0|1,0,1]=4 8476 B11R1.99 BrCCCCCOCC1CO1 34a_100000746331_102125554688 [0,1,0,1,0,0|1,0,1]=4 8477 B11R1.99 BrCCCCCOCC1CO1 7a_100000746331_102125554688 [0,1,0,1,0,0|1,0,1]=4 8478 B11R1.99 BrCCCCCOC[C@@H]1CO1 7a_100000746331_100000745022 [0,1,0,1,0,0|1,0,1]=4 8479 B11R1.99 CCC/C=C/COCC1CC1 34a_100016278788_100000742324 [0,1,0,1,0,0|1,0,0]=3 8480 B11R1.99 CCC/C=C/COCC1CC1 7a_100016278788_100000742324 [0,1,0,1,0,0|1,0,0]=3 8481 B11R1.99 CCC/C=C/COCC1CO1 34a_100016278788_102125554688 [0,1,0,1,0,0|2,0,0]=4 8482 B11R1.99 CCC/C=C/COCC1CO1 7a_100016278788_102125554688 [0,1,0,1,0,0|2,0,0]=4 8483 B11R1.99 CCC/C=C/COCC1CS1 7a_100016278788_100000031435 [0,1,0,1,0,0|2,0,0]=4 8484 B11R1.99 CCC/C=C/COC[C@@H]1CO1 7a_100016278788_100000745022 [0,1,0,1,0,0|2,0,0]=4 8485 B11R1.99 CCCC/C=C/COC1CC1 34a_200016272032_100000211595 [0,1,0,1,0,0|2,0,0]=4 8486 B11R1.99 CCCCCC=NNC1CC1 4a_100000701032_100000737632 [0,1,0,1,0,0|2,0,0]=4 8487 B11R1.99 CCCCCCNCC1CO1 2230a_100000210581_100011216344 [0,1,0,1,0,0|0,0,2]=4 8488 B11R1.99 CCCCCCOCC1CO1 34a_100000210259_102125554688 [0,1,0,1,0,0|0,0,2]=4 8489 B11R1.99 CCCCCCOCC1CO1 7a_100000210259_102125554688 [0,1,0,1,0,0|0,0,2]=4 8490 B11R1.99 CCCCCCOC[C@@H]1CO1 34a_100000757423_100000210314 [0,1,0,1,0,0|0,0,2]=4 8491 B11R1.99 CCCCCCOC[C@@H]1CO1 7a_100000210259_100000745022 [0,1,0,1,0,0|0,0,2]=4 8492 B11R1.99 CCCCCCSCC1CO1 62a_100000210314_102125554688 [0,1,0,1,0,0|0,0,2]=4 8493 B11R1.99 CCCCCCSCC1CO1 62a_102125554688_100000210757 [0,1,0,1,0,0|0,0,2]=4 8494 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000210314_100000745022 [0,1,0,1,0,0|0,0,2]=4 8495 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000745022_100000210757 [0,1,0,1,0,0|0,0,2]=4 8496 B11R1.99 CCCCCNCCC1CO1 2230a_100000209983_100000732470 [0,1,0,1,0,0|0,0,2]=4 8497 B11R1.99 CCCCCNN=CC1CC1 4a_100000694160_100000741477 [0,1,0,1,0,0|2,0,0]=4 8498 B11R1.99 CCCCCOCCC1CO1 34a_100000210253_100000732470 [0,1,0,1,0,0|0,0,2]=4 8499 B11R1.99 CCCCCOCCC1CO1 7a_100000210253_100000732470 [0,1,0,1,0,0|0,0,2]=4 8500 B11R1.99 CCCCCOCC[C@@H]1CO1 34a_100009820653_100000718602 [0,1,0,1,0,0|0,0,2]=4 8501 B11R1.99 CCCCCSCCC1CO1 62a_100000210326_100000732470 [0,1,0,1,0,0|0,0,2]=4 8502 B11R1.99 CCCCCSCCC1CO1 62a_100000732470_100000210326 [0,1,0,1,0,0|0,0,2]=4 8503 B11R1.99 CCCCNCCCC1CO1 2230a_100000102301_100000733510 [0,1,0,1,0,0|0,0,2]=4 8504 B11R1.99 CCCCNCCCC1CO1 7a_106832991798_100000733510 [0,1,0,1,0,0|0,0,2]=4 8505 B11R1.99 CCCCOCCCC1CO1 34a_100000210227_100000733510 [0,1,0,1,0,0|0,0,2]=4 8506 B11R1.99 CCCCOCCCC1CO1 7a_100000210227_100000733510 [0,1,0,1,0,0|0,0,2]=4 8507 B11R1.99 CCCCOCOC[C@@H]1CO1 34a_100000757423_100011995733 [0,1,0,1,0,0|1,0,1]=4 8508 B11R1.99 CCCCOCSCC1CO1 62a_100011995733_102125554688 [0,1,0,1,0,0|1,0,1]=4 8509 B11R1.99 CCCCOCSCC1CO1 62a_102125554688_100011995733 [0,1,0,1,0,0|1,0,1]=4 8510 B11R1.99 CCCCOCSC[C@@H]1CO1 62a_100000745022_100011995733 [0,1,0,1,0,0|1,0,1]=4 8511 B11R1.99 CCCCOCSC[C@@H]1CO1 62a_100011995733_100000745022 [0,1,0,1,0,0|1,0,1]=4 8512 B11R1.99 CCCCSCCCC1CO1 62a_100000210211_100000733510 [0,1,0,1,0,0|0,0,2]=4 8513 B11R1.99 CCCCSCCCC1CO1 62a_100000733510_100000210210 [0,1,0,1,0,0|0,0,2]=4 8514 B11R1.99 CCCOCCNCC1CO1 2230a_100161115042_100011216344 [0,1,0,1,0,0|1,0,1]=4 8515 B11R1.99 CCCOCCNCC1CO1 34a_100161115042_102125554688 [0,1,0,1,0,0|1,0,1]=4 8516 B11R1.99 CCCOCCOCC1CO1 34a_100000752267_102125554688 [0,1,0,1,0,0|1,0,1]=4 8517 B11R1.99 CCCOCCOCC1CO1 7a_100000752267_102125554688 [0,1,0,1,0,0|1,0,1]=4 8518 B11R1.99 CCCOCCOC[C@@H]1CO1 34a_100000757423_100011215938 [0,1,0,1,0,0|1,0,1]=4 8519 B11R1.99 CCCOCCOC[C@@H]1CO1 7a_100000752267_100000745022 [0,1,0,1,0,0|1,0,1]=4 8520 B11R1.99 CCCOCCSCC1CO1 62a_100011215938_102125554688 [0,1,0,1,0,0|1,0,1]=4 8521 B11R1.99 CCCOCCSCC1CO1 62a_102125554688_100011215938 [0,1,0,1,0,0|1,0,1]=4 8522 B11R1.99 CCCOCCSC[C@@H]1CO1 62a_100000745022_100011215938 [0,1,0,1,0,0|1,0,1]=4 8523 B11R1.99 CCCOCCSC[C@@H]1CO1 62a_100011215938_100000745022 [0,1,0,1,0,0|1,0,1]=4 8524 B11R1.99 CCCSCCNCC1CO1 2230a_100020603323_100011216344 [0,1,0,1,0,0|1,0,1]=4 8525 B11R1.99 CCCSCCOCC1CO1 34a_200000230433_102125554688 [0,1,0,1,0,0|1,0,1]=4 8526 B11R1.99 CCCSCCOCC1CO1 7a_200000230433_102125554688 [0,1,0,1,0,0|1,0,1]=4 8527 B11R1.99 CCCSCCOC[C@@H]1CO1 7a_200000230433_100000745022 [0,1,0,1,0,0|1,0,1]=4 8528 B11R1.99 CCOCCCNCC1CO1 2230a_100000210961_100011216344 [0,1,0,1,0,0|1,0,1]=4 8529 B11R1.99 CCOCCCNCC1CO1 34a_100000210961_102125554688 [0,1,0,1,0,0|1,0,1]=4 8530 B11R1.99 CCOCCCOCC1CO1 34a_100000757476_102125554688 [0,1,0,1,0,0|1,0,1]=4 8531 B11R1.99 CCOCCCOCC1CO1 7a_100000757476_102125554688 [0,1,0,1,0,0|1,0,1]=4 8532 B11R1.99 CCOCCCOC[C@@H]1CO1 34a_100000757423_100012232248 [0,1,0,1,0,0|1,0,1]=4 8533 B11R1.99 CCOCCCOC[C@@H]1CO1 7a_100000757476_100000745022 [0,1,0,1,0,0|1,0,1]=4 8534 B11R1.99 CCOCCCSCC1CO1 62a_100012232248_102125554688 [0,1,0,1,0,0|1,0,1]=4 8535 B11R1.99 CCOCCCSCC1CO1 62a_102125554688_100012232248 [0,1,0,1,0,0|1,0,1]=4 8536 B11R1.99 CCOCCCSC[C@@H]1CO1 62a_100000745022_100012232248 [0,1,0,1,0,0|1,0,1]=4 8537 B11R1.99 CCOCCCSC[C@@H]1CO1 62a_100012232248_100000745022 [0,1,0,1,0,0|1,0,1]=4 8538 B11R1.99 CCSCCCOCC1CO1 34a_100011216438_102125554688 [0,1,0,1,0,0|1,0,1]=4 8539 B11R1.99 CCSCCCOCC1CO1 7a_100011216438_102125554688 [0,1,0,1,0,0|1,0,1]=4 8540 B11R1.99 CCSCCCOC[C@@H]1CO1 7a_100011216438_100000745022 [0,1,0,1,0,0|1,0,1]=4 8541 B11R1.99 COCCCCOCC1CO1 34a_100000740925_102125554688 [0,1,0,1,0,0|1,0,1]=4 8542 B11R1.99 COCCCCOCC1CO1 34a_100010889290_200000210301 [0,1,0,1,0,0|1,0,1]=4 8543 B11R1.99 COCCCCOCC1CO1 7a_100010889290_200000210301 [0,1,0,1,0,0|1,0,1]=4 8544 B11R1.99 COCCCCOC[C@@H]1CO1 34a_100000757423_100000755781 [0,1,0,1,0,0|1,0,1]=4 8545 B11R1.99 COCCCCSCC1CO1 62a_100000730899_102125554688 [0,1,0,1,0,0|1,0,1]=4 8546 B11R1.99 COCCCCSCC1CO1 62a_102125554688_100000730899 [0,1,0,1,0,0|1,0,1]=4 8547 B11R1.99 COCCCCSC[C@@H]1CO1 62a_100000730899_100000745022 [0,1,0,1,0,0|1,0,1]=4 8548 B11R1.99 COCCCCSC[C@@H]1CO1 62a_100000745022_100000730899 [0,1,0,1,0,0|1,0,1]=4 8549 B11R1.99 COCCCNCCC1CC1 34a_100000764129_100000740836 [0,1,0,1,0,0|1,0,1]=4 8550 B11R1.99 COCCCNCCC1CC1 34a_100150723488_100000694398 [0,1,0,1,0,0|1,0,1]=4 8551 B11R1.99 COCCCOCCC1CC1 34a_100000740835_100000694398 [0,1,0,1,0,0|1,0,1]=4 8552 B11R1.99 COCCCOCCC1CC1 34a_100000754188_100000740836 [0,1,0,1,0,0|1,0,1]=4 8553 B11R1.99 COCCCOCCC1CC1 7a_100000754188_100000740836 [0,1,0,1,0,0|1,0,1]=4 8554 B11R1.99 COCCCSCCC1CC1 62a_100000709357_100000764125 [0,1,0,1,0,0|1,0,1]=4 8555 B11R1.99 COCCCSCCC1CC1 62a_100000764125_100000709357 [0,1,0,1,0,0|1,0,1]=4 8556 B11R1.99 CSCCCCOCC1CO1 34a_100011217163_102125554688 [0,1,0,1,0,0|1,0,1]=4 8557 B11R1.99 CSCCCCOCC1CO1 7a_100011217163_102125554688 [0,1,0,1,0,0|1,0,1]=4 8558 B11R1.99 CSCCCCOC[C@@H]1CO1 7a_100011217163_100000745022 [0,1,0,1,0,0|1,0,1]=4 8559 B11R1.99 ClCCCCCOCC1CO1 34a_100000746330_102125554688 [0,1,0,1,0,0|1,0,1]=4 8560 B11R1.99 ClCCCCCOCC1CO1 7a_100000746330_102125554688 [0,1,0,1,0,0|1,0,1]=4 8561 B11R1.99 ClCCCCCOC[C@@H]1CO1 7a_100000746330_100000745022 [0,1,0,1,0,0|1,0,1]=4 8562 B11R1.99 FCCCCCOC[C@@H]1CO1 34a_100000757423_100000729378 [0,1,0,1,0,0|1,0,1]=4 8563 B11R1.99 FCCCCCSCC1CO1 62a_100000729378_102125554688 [0,1,0,1,0,0|1,0,1]=4 8564 B11R1.99 FCCCCCSCC1CO1 62a_102125554688_100000729378 [0,1,0,1,0,0|1,0,1]=4 8565 B11R1.99 FCCCCCSC[C@@H]1CO1 62a_100000729378_100000745022 [0,1,0,1,0,0|1,0,1]=4 8566 B11R1.99 FCCCCCSC[C@@H]1CO1 62a_100000745022_100000729378 [0,1,0,1,0,0|1,0,1]=4 8567 B11R1.99 ICCCCCOCC1CO1 34a_200012148887_102125554688 [0,1,0,1,0,0|1,0,1]=4 8568 B11R1.99 ICCCCCOCC1CO1 7a_200012148887_102125554688 [0,1,0,1,0,0|1,0,1]=4 8569 B11R1.99 ICCCCCOC[C@@H]1CO1 7a_200012148887_100000745022 [0,1,0,1,0,0|1,0,1]=4 8570 B11R1.99 NCCCCCOCC1CO1 34a_100000762737_102125554688 [0,1,0,1,0,0|1,0,1]=4 8571 B11R1.99 OCCCCCCNC1CC1 34a_100000212008_100000766143 [0,1,0,1,0,0|0,0,2]=4 8572 B11R1.99 OCCCCCCNC1CC1 34a_100000686447_100000211595 [0,1,0,1,0,0|0,0,2]=4 8573 B11R1.99 OCCCCCCSC1CC1 62a_100000766143_100000211595 [0,1,0,1,0,0|0,0,2]=4 8574 B11R1.99 OCCCCCNCC1CC1 2230a_100000735609_100000746330 [0,1,0,1,0,0|0,0,2]=4 8575 B11R1.99 OCCCCCNCC1CC1 2230a_100000762737_100000742324 [0,1,0,1,0,0|0,0,2]=4 8576 B11R1.99 OCCCCCNCC1CC1 269862a_100000762737_100000741477 [0,1,0,1,0,0|0,0,2]=4 8577 B11R1.99 OCCCCCNCC1CC1 34a_100000735609_100000746330 [0,1,0,1,0,0|0,0,2]=4 8578 B11R1.99 OCCCCCNCC1CC1 34a_100000762737_100000742324 [0,1,0,1,0,0|0,0,2]=4 8579 B11R1.99 OCCCCCNCC1CO1 2230a_100000762737_100011216344 [0,1,0,1,0,0|1,0,1]=4 8580 B11R1.99 OCCCCCNCC1CO1 34a_100000762737_102125554688 [0,1,0,1,0,0|1,0,1]=4 8581 B11R1.99 OCCCCCOCC1CC1 34a_100000211283_100000746330 [0,1,0,1,0,0|0,0,2]=4 8582 B11R1.99 OCCCCCOC[C@@H]1CO1 34a_100000757423_100000746330 [0,1,0,1,0,0|1,0,1]=4 8583 B11R1.99 OCCCCCSCC1CC1 62a_100000746330_100000742324 [0,1,0,1,0,0|0,0,2]=4 8584 B11R1.99 OCCCCCSCC1CC1 62a_100000756562_100000746330 [0,1,0,1,0,0|0,0,2]=4 8585 B11R1.99 OCCCCCSCC1CO1 62a_100000746330_102125554688 [0,1,0,1,0,0|1,0,1]=4 8586 B11R1.99 OCCCCCSCC1CO1 62a_102125554688_100000746330 [0,1,0,1,0,0|1,0,1]=4 8587 B11R1.99 OCCCCCSC[C@@H]1CO1 62a_100000745022_100000746330 [0,1,0,1,0,0|1,0,1]=4 8588 B11R1.99 OCCCCCSC[C@@H]1CO1 62a_100000746330_100000745022 [0,1,0,1,0,0|1,0,1]=4 8589 B11R1.99 OCCCCNCCC1CC1 2230a_100000750430_100000694398 [0,1,0,1,0,0|0,0,2]=4 8590 B11R1.99 OCCCCNCCC1CC1 34a_100000750430_100000694398 [0,1,0,1,0,0|0,0,2]=4 8591 B11R1.99 OCCCCNCCC1CC1 34a_100000764129_100011216708 [0,1,0,1,0,0|0,0,2]=4 8592 B11R1.99 OCCCCOCCC1CC1 34a_100000754188_100011216708 [0,1,0,1,0,0|0,0,2]=4 8593 B11R1.99 OCCCCOCCC1CC1 7a_100000754188_100000210776 [0,1,0,1,0,0|0,0,2]=4 8594 B11R1.99 OCCCCSCCC1CC1 62a_100000210776_100000764125 [0,1,0,1,0,0|0,0,2]=4 8595 B11R1.99 OCCCCSCCC1CC1 62a_100000764125_100000210776 [0,1,0,1,0,0|0,0,2]=4 8596 B11R1.99 OCCCOCCNC1CC1 34a_100000738766_100000230001 [0,1,0,1,0,0|1,0,1]=4 8597 B11R1.99 OCCCSCCCC1CO1 62a_100000733510_100011215043 [0,1,0,1,0,0|1,0,1]=4 8598 B11R1.99 OCCCSCCCC1CO1 62a_100011215043_100000733510 [0,1,0,1,0,0|1,0,1]=4 8599 B11R1.99 OCCOCCNCC1CC1 2230a_100000211614_100000742324 [0,1,0,1,0,0|1,0,1]=4 8600 B11R1.99 OCCOCCNCC1CC1 2230a_100000735609_100011215305 [0,1,0,1,0,0|1,0,1]=4 8601 B11R1.99 OCCOCCNCC1CC1 269862a_100000211614_100000741477 [0,1,0,1,0,0|1,0,1]=4 8602 B11R1.99 OCCOCCNCC1CC1 34a_100000211614_100000742324 [0,1,0,1,0,0|1,0,1]=4 8603 B11R1.99 OCCOCCNCC1CC1 34a_100000735609_100000692535 [0,1,0,1,0,0|1,0,1]=4 8604 B11R1.99 OCCOCCOCC1CC1 34a_100000211283_100000692535 [0,1,0,1,0,0|1,0,1]=4 8605 B11R1.99 OCCOCCSCC1CC1 62a_100000756562_100011215305 [0,1,0,1,0,0|1,0,1]=4 8606 B11R1.99 OCCOCCSCC1CC1 62a_100011215305_100000742324 [0,1,0,1,0,0|1,0,1]=4 8607 B11R1.99 OCCSCCNCC1CC1 2230a_100011219999_100000742324 [0,1,0,1,0,0|1,0,1]=4 8608 B11R1.99 OCCSCCNCC1CC1 269862a_100011219999_100000741477 [0,1,0,1,0,0|1,0,1]=4 8609 B11R1.99 [13CH3]OCCCCOCC1CO1 34a_100010889290_200025704644 [0,1,0,1,0,0|1,0,1]=4 8610 B11R1.99 [13CH3]OCCCCOCC1CO1 7a_100010889290_200025704644 [0,1,0,1,0,0|1,0,1]=4 8611 B11R1.102 CC(O)CCOCC1CC1C 34a_100000744939_100012276601 [0,1,0,1,0,0|1,0,1]=4 8612 B11R1.102 CC(O)CCOCC1CC1C 7a_100000744939_100012276601 [0,1,0,1,0,0|1,0,1]=4 8613 B11R1.172 CC(O)CCNC1CCCC1 2230a_100000211070_100012276601 [0,1,0,1,0,0|1,0,1]=4 8614 B11R1.172 CC(O)CCNC1CCCC1 2230a_200000755665_100000179811 [0,1,0,1,0,0|1,0,1]=4 8615 B11R1.172 CC(O)CCNC1CCCC1 270004a_200000755665_100000210133 [0,1,0,1,0,0|1,0,1]=4 8616 B11R1.172 CC(O)CCNC1CCCC1 34a_100000211070_100012276601 [0,1,0,1,0,0|1,0,1]=4 8617 B11R1.172 CC(O)CCOC1CCCC1 34a_100000210269_100012276601 [0,1,0,1,0,0|1,0,1]=4 8618 B11R1.172 CC(O)CCOC1CCCC1 7a_100000210269_100012276601 [0,1,0,1,0,0|1,0,1]=4 8619 B11R1.172 CC(O)CCSC1CCCC1 62a_100011217020_100012276601 [0,1,0,1,0,0|1,0,1]=4 8620 B11R1.172 CC(O)CCSC1CCCC1 62a_100012276601_100000179811 [0,1,0,1,0,0|1,0,1]=4 8621 B11R1.172 CC(O)CNCC1CCCC1 2230a_100000210904_100000740388 [0,1,0,1,0,0|1,0,1]=4 8622 B11R1.172 CC(O)CNCC1CCCC1 2230a_100000737975_100011218427 [0,1,0,1,0,0|1,0,1]=4 8623 B11R1.172 CC(O)CNCC1CCCC1 269862a_100000210904_100000746403 [0,1,0,1,0,0|1,0,1]=4 8624 B11R1.172 CC(O)CNCC1CCCC1 34a_100000210904_100000740388 [0,1,0,1,0,0|1,0,1]=4 8625 B11R1.172 CC(O)CNCC1CCCC1 34a_100000737975_100011218427 [0,1,0,1,0,0|1,0,1]=4 8626 B11R1.172 CC(O)COCC1CCCC1 34a_100000742336_100011218427 [0,1,0,1,0,0|1,0,1]=4 8627 B11R1.172 CC(O)COCC1CCCC1 7a_100000742336_100011218427 [0,1,0,1,0,0|1,0,1]=4 8628 B11R1.172 CC(O)CSCC1CCCC1 62a_100000740388_100011218427 [0,1,0,1,0,0|1,0,1]=4 8629 B11R1.172 CC(O)CSCC1CCCC1 62a_100011218427_100000740388 [0,1,0,1,0,0|1,0,1]=4 8630 B11R1.172 C[C@@H](O)CNCC1CCCC1 2230a_100000737975_100009817552 [0,1,0,1,0,0|1,0,1]=4 8631 B11R1.172 C[C@@H](O)CNCC1CCCC1 34a_100000737975_100009817552 [0,1,0,1,0,0|1,0,1]=4 8632 B11R1.172 C[C@@H](O)COCC1CCCC1 34a_100000742336_100009817552 [0,1,0,1,0,0|1,0,1]=4 8633 B11R1.172 C[C@@H](O)COCC1CCCC1 7a_100000742336_100009817552 [0,1,0,1,0,0|1,0,1]=4 8634 B11R1.172 C[C@@H](O)CSCC1CCCC1 62a_100000740388_100009817552 [0,1,0,1,0,0|1,0,1]=4 8635 B11R1.172 C[C@@H](O)CSCC1CCCC1 62a_100009817552_100000740388 [0,1,0,1,0,0|1,0,1]=4 8636 B11R1.174 CC(O)CCNCC1CCC1 2230a_100000738700_100012276601 [0,1,0,1,0,0|1,0,1]=4 8637 B11R1.174 CC(O)CCNCC1CCC1 2230a_200000755665_100000763275 [0,1,0,1,0,0|1,0,1]=4 8638 B11R1.174 CC(O)CCNCC1CCC1 269862a_200000755665_100000753134 [0,1,0,1,0,0|1,0,1]=4 8639 B11R1.174 CC(O)CCNCC1CCC1 34a_100000738700_100012276601 [0,1,0,1,0,0|1,0,1]=4 8640 B11R1.174 CC(O)CCOCC1CCC1 34a_100000760304_100012276601 [0,1,0,1,0,0|1,0,1]=4 8641 B11R1.174 CC(O)CCSCC1CCC1 62a_100000763275_100012276601 [0,1,0,1,0,0|1,0,1]=4 8642 B11R1.174 CC(O)CCSCC1CCC1 62a_100012276601_100000763275 [0,1,0,1,0,0|1,0,1]=4 8643 B11R1.176 CC(C)CCCNCC1CO1 2230a_200000737386_100011216344 [0,1,0,1,0,0|1,0,1]=4 8644 B11R1.176 CC(C)CCCNCC1CO1 34a_200000737386_102125554688 [0,1,0,1,0,0|1,0,1]=4 8645 B11R1.176 CC(C)CCCOCC1CO1 34a_100000210774_102125554688 [0,1,0,1,0,0|1,0,1]=4 8646 B11R1.176 CC(C)CCCOCC1CO1 7a_100000210774_102125554688 [0,1,0,1,0,0|1,0,1]=4 8647 B11R1.176 CC(C)CCCOC[C@@H]1CO1 34a_100000757423_100011214892 [0,1,0,1,0,0|1,0,1]=4 8648 B11R1.176 CC(C)CCCOC[C@@H]1CO1 7a_100000210774_100000745022 [0,1,0,1,0,0|1,0,1]=4 8649 B11R1.176 CC(C)CCCSCC1CO1 62a_100011214892_102125554688 [0,1,0,1,0,0|1,0,1]=4 8650 B11R1.176 CC(C)CCCSCC1CO1 62a_102125554688_100011214892 [0,1,0,1,0,0|1,0,1]=4 8651 B11R1.176 CC(C)CCCSC[C@@H]1CO1 62a_100000745022_100011214892 [0,1,0,1,0,0|1,0,1]=4 8652 B11R1.176 CC(C)CCCSC[C@@H]1CO1 62a_100011214892_100000745022 [0,1,0,1,0,0|1,0,1]=4 8653 B11R1.176 CC(O)CCCOC[C@@H]1CO1 34a_100000757423_200000718107 [0,1,0,1,0,0|1,0,1]=4 8654 B11R1.176 CC(O)CCCSCC1CO1 62a_102125554688_200000718107 [0,1,0,1,0,0|1,0,1]=4 8655 B11R1.176 CC(O)CCCSCC1CO1 62a_200000718107_102125554688 [0,1,0,1,0,0|1,0,1]=4 8656 B11R1.176 CC(O)CCCSC[C@@H]1CO1 62a_100000745022_200000718107 [0,1,0,1,0,0|1,0,1]=4 8657 B11R1.176 CC(O)CCCSC[C@@H]1CO1 62a_200000718107_100000745022 [0,1,0,1,0,0|1,0,1]=4 8658 B11R1.176 CC(O)CCNCCC1CC1 2230a_200000755665_100000694398 [0,1,0,1,0,0|1,0,1]=4 8659 B11R1.176 CC(O)CCNCCC1CC1 34a_100000764129_100012276601 [0,1,0,1,0,0|1,0,1]=4 8660 B11R1.176 CC(O)CCOCCC1CC1 34a_100000754188_100012276601 [0,1,0,1,0,0|1,0,1]=4 8661 B11R1.176 CC(O)CCOCCC1CC1 7a_100000754188_100012276601 [0,1,0,1,0,0|1,0,1]=4 8662 B11R1.176 CC(O)CCSCCC1CC1 62a_100000764125_100012276601 [0,1,0,1,0,0|1,0,1]=4 8663 B11R1.176 CC(O)CCSCCC1CC1 62a_100012276601_100000764125 [0,1,0,1,0,0|1,0,1]=4 8664 B11R1.193 CC(C)C1CCCN1CCO 2230a_100000762757_100000211926 [0,1,0,1,0,0|1,0,1]=4 8665 B11R1.193 CC(C)C1CCCN1CCO 269982a_100000762757_100000211926 [0,1,0,1,0,0|1,0,1]=4 8666 B11R1.193 CC(C)C1CCCN1CCO 34a_100000762757_100000211926 [0,1,0,1,0,0|1,0,1]=4 8667 B11R1.193 CCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210207 [0,1,0,1,0,0|1,0,1]=4 8668 B11R1.233 CC1(CCCC1NCCO)C 269862a_100000210304_100000065263 [0,1,0,1,0,0|1,0,1]=4 8669 B11R1.233 CC1(CCCC1OCCO)C 34a_100000726220_100000211926 [0,1,0,1,0,0|1,0,1]=4 8670 B11R1.233 CC1(CCCC1OCCO)C 7a_100000726220_100000211926 [0,1,0,1,0,0|1,0,1]=4 8671 B11R1.233 CC1(CCCN1CCCO)C 2230a_100000761399_100000230001 [0,1,0,1,0,0|1,0,1]=4 8672 B11R1.233 CC1(CCCN1CCCO)C 269982a_100000761399_100011215043 [0,1,0,1,0,0|1,0,1]=4 8673 B11R1.233 CC1(CCCN1CCCO)C 34a_100000761399_100000230001 [0,1,0,1,0,0|1,0,1]=4 8674 B11R1.233 C[C@]1(CCC[C@H]1NCCO)O 2230a_100015977457_100000211926 [0,1,0,1,0,0|1,0,1]=4 8675 B11R1.233 C[C@]1(CCC[C@H]1NCCO)O 34a_100015977457_100000211926 [0,1,0,1,0,0|1,0,1]=4 8676 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [0,1,0,1,0,0|1,0,1]=4 8677 B11R1.706 CN(C)C1CC/C=C\CCC1 269982a_100102631434_100021000466 [0,1,0,1,0,0|2,0,0]=4 8678 B11R1.742 CC(O)CN1CCCCCC1 2230a_100000185865_100011218427 [0,1,0,1,0,0|1,0,1]=4 8679 B11R1.742 CC(O)CN1CCCCCC1 269982a_100000185865_100011218427 [0,1,0,1,0,0|1,0,1]=4 8680 B11R1.742 CC(O)CN1CCCCCC1 34a_100000185865_100011218427 [0,1,0,1,0,0|1,0,1]=4 8681 B11R1.742 C[C@@H](O)CN1CCCCCC1 2230a_100000185865_100009817552 [0,1,0,1,0,0|1,0,1]=4 8682 B11R1.742 C[C@@H](O)CN1CCCCCC1 269982a_100000185865_100009817552 [0,1,0,1,0,0|1,0,1]=4 8683 B11R1.742 C[C@@H](O)CN1CCCCCC1 34a_100000185865_100009817552 [0,1,0,1,0,0|1,0,1]=4 8684 B11R1.898 CC1(CC1COCCCO)C 34a_100000728257_100000230001 [0,1,0,1,0,0|1,0,1]=4 8685 B11R1.898 CC1(CC1COCCCO)C 7a_100000728257_100011215043 [0,1,0,1,0,0|1,0,1]=4 8686 B11R1.17 CC1CC=CCC1COCF 34a_100000211322_100015361967 [0,1,0,1,0,0|2,0,0]=4 8687 B11R1.17 CC1CCCCC1NCCO 2230a_100000211402_100000211926 [0,1,0,1,0,0|0,0,2]=4 8688 B11R1.17 CC1CCCCC1NCCO 269862a_100000210304_100000210921 [0,1,0,1,0,0|0,0,2]=4 8689 B11R1.17 CC1CCCCC1NCCO 270004a_100000210304_100000210921 [0,1,0,1,0,0|0,0,2]=4 8690 B11R1.17 CC1CCCCC1NCCO 34a_100000211402_100000211926 [0,1,0,1,0,0|0,0,2]=4 8691 B11R1.17 CC1CCCCC1OCCO 34a_100000211207_100000211926 [0,1,0,1,0,0|0,0,2]=4 8692 B11R1.17 CC1CCCCC1OCCO 7a_100000211207_100000211926 [0,1,0,1,0,0|0,0,2]=4 8693 B11R1.17 CC1CCCCN1CCCO 2230a_100000211376_100000230001 [0,1,0,1,0,0|0,0,2]=4 8694 B11R1.17 CC1CCCCN1CCCO 269982a_100000211376_100011215043 [0,1,0,1,0,0|0,0,2]=4 8695 B11R1.17 CC1CCCCN1CCCO 34a_100000211376_100000230001 [0,1,0,1,0,0|0,0,2]=4 8696 B11R1.17 CC1CCCCN1CCO[13CH3] 34a_100011305533_200025704644 [0,1,0,1,0,0|1,0,1]=4 8697 B11R1.17 CC1CCNCC1OCCO 34a_100000696640_100000211926 [0,1,0,1,0,0|1,0,1]=4 8698 B11R1.17 CC1CNCCC1NCCO 270004a_100000210304_100000703950 [0,1,0,1,0,0|1,0,1]=4 8699 B11R1.17 CC1CNCCC1OCCO 34a_100011998114_100000211926 [0,1,0,1,0,0|1,0,1]=4 8700 B11R1.17 CC1COCCC1NCCO 270004a_100000210304_100000755695 [0,1,0,1,0,0|1,0,1]=4 8701 B11R1.17 CCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210303 [0,1,0,1,0,0|1,0,1]=4 8702 B11R1.17 CCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210303 [0,1,0,1,0,0|1,0,1]=4 8703 B11R1.17 CCCOC1CCCCC1O 34a_100000210258_100000038908 [0,1,0,1,0,0|0,0,2]=4 8704 B11R1.17 CCCSC1CCCCC1O 62a_100000038908_100000210303 [0,1,0,1,0,0|0,0,2]=4 8705 B11R1.17 CCCSC1CCCCC1O 62a_100000210303_100000038908 [0,1,0,1,0,0|0,0,2]=4 8706 B11R1.17 CCNCC1CC=CCC1C 269862a_100015525214_100000117039 [0,1,0,1,0,0|1,0,0]=3 8707 B11R1.17 CCNCC1CC=CCC1C 270004a_100015525214_100000117039 [0,1,0,1,0,0|1,0,0]=3 8708 B11R1.17 CCNCC1CCCCC1O 34a_100011216029_100000210202 [0,1,0,1,0,0|0,0,2]=4 8709 B11R1.17 CCOCC1CC=CCC1C 34a_100000211322_100000210202 [0,1,0,1,0,0|1,0,0]=3 8710 B11R1.17 CN1CCCCC1CCCO 2230a_100011934581_200000210301 [0,1,0,1,0,0|0,0,2]=4 8711 B11R1.17 CN1CCCCC1CCCO 269982a_100011934581_200000210301 [0,1,0,1,0,0|0,0,2]=4 8712 B11R1.17 CN1CCCCC1CCCO 34a_100011934581_200000210301 [0,1,0,1,0,0|0,0,2]=4 8713 B11R1.17 COCCN1CCCCC1C 2230a_100000211376_100011201679 [0,1,0,1,0,0|1,0,1]=4 8714 B11R1.17 COCCN1CCCCC1C 269982a_100000211376_100000233755 [0,1,0,1,0,0|1,0,1]=4 8715 B11R1.17 COCCN1CCCCC1C 34a_100000211376_100011201679 [0,1,0,1,0,0|1,0,1]=4 8716 B11R1.17 COCCN1CCCCC1C 34a_100011305533_200000210301 [0,1,0,1,0,0|1,0,1]=4 8717 B11R1.17 C[C@H]1COCCN1CCCO 2230a_100009815349_100000230001 [0,1,0,1,0,0|1,0,1]=4 8718 B11R1.17 C[C@H]1COCCN1CCCO 269982a_100009815349_100011215043 [0,1,0,1,0,0|1,0,1]=4 8719 B11R1.17 C[C@H]1COCCN1CCCO 34a_100009815349_100000230001 [0,1,0,1,0,0|1,0,1]=4 8720 B11R1.17 N[C@@H]1CCCC[C@@H]1OCCO 34a_100015191688_100000211926 [0,1,0,1,0,0|1,0,1]=4 8721 B11R1.17 OCCNC1CCCCC1F 34a_100016990907_100015423560 [0,1,0,1,0,0|1,0,1]=4 8722 B11R1.17 OCCNC1CCCCC1O 34a_100016990907_100000038908 [0,1,0,1,0,0|1,0,1]=4 8723 B11R1.17 OCCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000211926 [0,1,0,1,0,0|1,0,1]=4 8724 B11R1.17 OCCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000211926 [0,1,0,1,0,0|1,0,1]=4 8725 B11R1.17 OCCOC1CCCCC1Cl 34a_100000038908_100000211926 [0,1,0,1,0,0|1,0,1]=4 8726 B11R1.17 OCCOC1CCCCC1Cl 7a_100000038908_100000211926 [0,1,0,1,0,0|1,0,1]=4 8727 B11R1.17 OCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000211926 [0,1,0,1,0,0|1,0,1]=4 8728 B11R1.17 OCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000211926 [0,1,0,1,0,0|1,0,1]=4 8729 B11R1.17 OCCSC1CCCCC1F 62a_100000211926_100015423560 [0,1,0,1,0,0|1,0,1]=4 8730 B11R1.17 OCCSC1CCCCC1F 62a_100015423560_100000211926 [0,1,0,1,0,0|1,0,1]=4 8731 B11R1.17 OCCSC1CCCCC1O 62a_100000038908_100000211926 [0,1,0,1,0,0|1,0,1]=4 8732 B11R1.17 OCCSC1CCCCC1O 62a_100000211926_100000038908 [0,1,0,1,0,0|1,0,1]=4 8733 B11R1.17 [13CH3]N1CCCCC1CCCO 2230a_100011934581_200025704644 [0,1,0,1,0,0|0,0,2]=4 8734 B11R1.17 [13CH3]N1CCCCC1CCCO 269982a_100011934581_200025704644 [0,1,0,1,0,0|0,0,2]=4 8735 B11R1.17 [13CH3]N1CCCCC1CCCO 34a_100011934581_200025704644 [0,1,0,1,0,0|0,0,2]=4 8736 B11R1.18 CCC1C=CCN1CCCF 2230a_100000730860_100011934791 [0,1,0,1,0,0|2,0,0]=4 8737 B11R1.18 CCC1C=CCN1CCCF 269982a_100000730860_100011934791 [0,1,0,1,0,0|2,0,0]=4 8738 B11R1.18 CCC1C=CCN1CCCF 34a_100000730860_100011934791 [0,1,0,1,0,0|2,0,0]=4 8739 B11R1.18 CCC1C=CCN1CCCO 2230a_100000730860_100000230001 [0,1,0,1,0,0|2,0,0]=4 8740 B11R1.18 CCC1C=CCN1CCCO 269982a_100000730860_100011215043 [0,1,0,1,0,0|2,0,0]=4 8741 B11R1.18 CCC1C=CCN1CCCO 34a_100000730860_100000230001 [0,1,0,1,0,0|2,0,0]=4 8742 B11R1.18 CCC1C=CCN1CCOC 2230a_100000730860_100011201679 [0,1,0,1,0,0|2,0,0]=4 8743 B11R1.18 CCC1C=CCN1CCOC 269982a_100000730860_100000233755 [0,1,0,1,0,0|2,0,0]=4 8744 B11R1.18 CCC1C=CCN1CCOC 34a_100000730860_100011201679 [0,1,0,1,0,0|2,0,0]=4 8745 B11R1.18 CCC1C=CCN1CCSC 2230a_100000730860_100000751147 [0,1,0,1,0,0|2,0,0]=4 8746 B11R1.18 CCC1C=CCN1CCSC 269982a_100000730860_100000212216 [0,1,0,1,0,0|2,0,0]=4 8747 B11R1.18 CCC1C=CCN1CCSC 34a_100000730860_100000212216 [0,1,0,1,0,0|2,0,0]=4 8748 B11R1.18 CCC1CCCC1NCCO 269862a_100000210304_100000749056 [0,1,0,1,0,0|0,0,2]=4 8749 B11R1.18 CCC1CCCC1NCCO 270004a_100000210304_100000749056 [0,1,0,1,0,0|0,0,2]=4 8750 B11R1.18 CCC1CCCN1CCCO 2230a_100000754278_100000230001 [0,1,0,1,0,0|0,0,2]=4 8751 B11R1.18 CCC1CCCN1CCCO 269982a_100000754278_100011215043 [0,1,0,1,0,0|0,0,2]=4 8752 B11R1.18 CCC1CCCN1CCCO 34a_100000754278_100000230001 [0,1,0,1,0,0|0,0,2]=4 8753 B11R1.18 CCC1CCCN1CCOC 2230a_100000754278_100011201679 [0,1,0,1,0,0|1,0,1]=4 8754 B11R1.18 CCC1CCCN1CCOC 269982a_100000754278_100000233755 [0,1,0,1,0,0|1,0,1]=4 8755 B11R1.18 CCC1CCCN1CCOC 34a_100000754278_100011201679 [0,1,0,1,0,0|1,0,1]=4 8756 B11R1.18 CCCCC1C=CCN1CC 2230a_100015184376_100000210202 [0,1,0,1,0,0|1,0,0]=3 8757 B11R1.18 CCCCC1C=CCN1CC 269982a_100015184376_100000204670 [0,1,0,1,0,0|1,0,0]=3 8758 B11R1.18 CCCCC1C=CCN1CC 34a_100015184376_100000210202 [0,1,0,1,0,0|1,0,0]=3 8759 B11R1.18 CCCCC1C=CCN1CF 269982a_100015184376_100015361967 [0,1,0,1,0,0|1,0,0]=3 8760 B11R1.18 CCCCC1C=CCN1CF 34a_100015184376_100015361967 [0,1,0,1,0,0|1,0,0]=3 8761 B11R1.18 CCCCN1CC=CC1CC 2230a_100000730860_100000210211 [0,1,0,1,0,0|1,0,0]=3 8762 B11R1.18 CCCCN1CC=CC1CC 269982a_100000730860_100000210211 [0,1,0,1,0,0|1,0,0]=3 8763 B11R1.18 CCCCN1CC=CC1CC 34a_100000730860_100000210210 [0,1,0,1,0,0|1,0,0]=3 8764 B11R1.18 CCCCN1CCC[C@@H]1CO 2230a_100000745186_100000210211 [0,1,0,1,0,0|0,0,2]=4 8765 B11R1.18 CCCCN1CCC[C@@H]1CO 269982a_100000745186_100000210211 [0,1,0,1,0,0|0,0,2]=4 8766 B11R1.18 CCCCN1CCC[C@@H]1CO 34a_100000745186_100000210210 [0,1,0,1,0,0|0,0,2]=4 8767 B11R1.18 CCCCc1ccsc1CO 271570a_100020621405_100000702026 [0,1,0,1,0,0|0,0,2]=4 8768 B11R1.18 CCCCc1cscc1CO 271570a_100020621405_100000724555 [0,1,0,1,0,0|0,0,2]=4 8769 B11R1.18 CCCCc1sccc1CO 271570a_100020621405_100009816922 [0,1,0,1,0,0|0,0,2]=4 8770 B11R1.18 CCOCN1CC=CC1CC 269982a_100000730860_100000739092 [0,1,0,1,0,0|2,0,0]=4 8771 B11R1.18 OCCCN1CCC[C@@H]1CO 2230a_100000745186_100000230001 [0,1,0,1,0,0|1,0,1]=4 8772 B11R1.18 OCCCN1CCC[C@@H]1CO 269982a_100000745186_100011215043 [0,1,0,1,0,0|1,0,1]=4 8773 B11R1.18 OCCCN1CCC[C@@H]1CO 34a_100000745186_100000230001 [0,1,0,1,0,0|1,0,1]=4 8774 B11R1.28 CCCCCN1CCCOC1 2230a_100000131196_100000210326 [0,1,0,1,0,0|1,0,1]=4 8775 B11R1.28 CCCCCN1CCCOC1 269982a_100000131196_100000210215 [0,1,0,1,0,0|1,0,1]=4 8776 B11R1.28 CCCCCN1CCCOC1 34a_100000131196_100000718602 [0,1,0,1,0,0|1,0,1]=4 8777 B11R1.28 CCCCNC1C=CCCC1 2230a_100000102301_100000751183 [0,1,0,1,0,0|1,0,0]=3 8778 B11R1.28 CCCCNC1C=CCCC1 7a_106832991798_100000751183 [0,1,0,1,0,0|1,0,0]=3 8779 B11R1.28 CCCCOC1C=CCCC1 34a_100011215024_100000210210 [0,1,0,1,0,0|1,0,0]=3 8780 B11R1.28 CCCCOC1C=CCCC1 7a_100000210227_100000751183 [0,1,0,1,0,0|1,0,0]=3 8781 B11R1.28 CCCCOC1CCCCO1 34a_100000033831_100000210210 [0,1,0,1,0,0|0,0,2]=4 8782 B11R1.28 CCCCSC1C=CCCC1 62a_100000210211_100000751183 [0,1,0,1,0,0|1,0,0]=3 8783 B11R1.28 CCCCSC1C=CCCC1 62a_100000751183_100000210210 [0,1,0,1,0,0|1,0,0]=3 8784 B11R1.28 CCCNCC1=CCCSC1 270004a_100020643023_100000707794 [0,1,0,1,0,0|1,1,0]=4 8785 B11R1.28 CCCNCC1CCCCO1 2230a_100000174945_100000210303 [0,1,0,1,0,0|0,0,2]=4 8786 B11R1.28 CCCNCC1CCCCO1 34a_100000174945_100000210303 [0,1,0,1,0,0|0,0,2]=4 8787 B11R1.28 CCCNC[C@H]1COCCO1 2230a_100010981119_100000210303 [0,1,0,1,0,0|1,0,1]=4 8788 B11R1.28 CCCNC[C@H]1COCCO1 34a_100010981119_100000210303 [0,1,0,1,0,0|1,0,1]=4 8789 B11R1.28 CCCNN=C1CCCCC1 4a_100000740057_100000210434 [0,1,0,1,0,0|2,0,0]=4 8790 B11R1.28 CCCOCC1CCCCO1 34a_100000210258_100000211543 [0,1,0,1,0,0|0,0,2]=4 8791 B11R1.28 CCCOCC1CCCCO1 34a_100000211370_100000210303 [0,1,0,1,0,0|0,0,2]=4 8792 B11R1.28 CCCOCC1CCCCO1 7a_100000211370_100000210303 [0,1,0,1,0,0|0,0,2]=4 8793 B11R1.28 CCCOC[C@@H]1CNCCO1 34a_100015189573_100000210303 [0,1,0,1,0,0|1,0,1]=4 8794 B11R1.28 CCCOC[C@H]1COCCO1 34a_100009875890_100000210303 [0,1,0,1,0,0|1,0,1]=4 8795 B11R1.28 CCCSCC1CCCCO1 62a_100000210303_100000211543 [0,1,0,1,0,0|0,0,2]=4 8796 B11R1.28 CCCSCC1CCCCO1 62a_100000211543_100000210303 [0,1,0,1,0,0|0,0,2]=4 8797 B11R1.28 CCNCCC1=CCCCC1 2230a_100000212019_100000210202 [0,1,0,1,0,0|2,0,0]=4 8798 B11R1.28 CCNCCC1=CCCCC1 34a_100000212019_100000210202 [0,1,0,1,0,0|2,0,0]=4 8799 B11R1.28 CCNCCC1CCCCO1 2230a_100015183643_100000210202 [0,1,0,1,0,0|0,0,2]=4 8800 B11R1.28 CCNCCC1CCCCO1 34a_100015183643_100000210202 [0,1,0,1,0,0|0,0,2]=4 8801 B11R1.28 CCNCCC1OCCCO1 2230a_100015525214_100000764188 [0,1,0,1,0,0|1,0,1]=4 8802 B11R1.28 CCOCCC1OCCCO1 34a_100121572206_100000764188 [0,1,0,1,0,0|1,0,1]=4 8803 B11R1.28 CCOCSC1C=CCCC1 62a_100000739092_100000751183 [0,1,0,1,0,0|2,0,0]=4 8804 B11R1.28 CCOCSC1C=CCCC1 62a_100000751183_100000739092 [0,1,0,1,0,0|2,0,0]=4 8805 B11R1.28 CCSCCC1OCCCO1 62a_100000210202_100000764188 [0,1,0,1,0,0|1,0,1]=4 8806 B11R1.28 CCSCCC1OCCCO1 62a_100000764188_100000210202 [0,1,0,1,0,0|1,0,1]=4 8807 B11R1.28 COCCCC1CCCCC1 34a_100000198086_200000210301 [0,1,0,1,0,0|0,0,2]=4 8808 B11R1.28 COCCCC1CCCCC1 34a_100138415774_100011713725 [0,1,0,1,0,0|0,0,2]=4 8809 B11R1.28 COCCCC1CCCCC1 7a_100000198086_200000210301 [0,1,0,1,0,0|0,0,2]=4 8810 B11R1.28 COCCCN1CCCCC1 34a_100000212458_200000210301 [0,1,0,1,0,0|1,0,1]=4 8811 B11R1.28 COCCCN1CCCCC1 34a_100138415774_100000690320 [0,1,0,1,0,0|1,0,1]=4 8812 B11R1.28 COCCNC1C=CCCC1 2230a_100000209980_100000751183 [0,1,0,1,0,0|2,0,0]=4 8813 B11R1.28 COCCNC1CCCCC1 2230a_100000182618_100011201679 [0,1,0,1,0,0|1,0,1]=4 8814 B11R1.28 COCCNC1CCCCC1 270004a_100000209980_100000210434 [0,1,0,1,0,0|1,0,1]=4 8815 B11R1.28 COCCNC1CCCCC1 34a_100000182618_100011201679 [0,1,0,1,0,0|1,0,1]=4 8816 B11R1.28 COCCNC1CCCCC1 34a_100000200466_200000210301 [0,1,0,1,0,0|1,0,1]=4 8817 B11R1.28 COCCOC1C=CCCC1 34a_100011215024_100011201679 [0,1,0,1,0,0|2,0,0]=4 8818 B11R1.28 COCCOC1CCCCC1 34a_100000210231_100011201679 [0,1,0,1,0,0|1,0,1]=4 8819 B11R1.28 COCCOC1CCCCC1 34a_100000210237_100000210327 [0,1,0,1,0,0|1,0,1]=4 8820 B11R1.28 COCCOC1CCCCC1 34a_100011249652_200000210301 [0,1,0,1,0,0|1,0,1]=4 8821 B11R1.28 COCCOC1CCCCC1 34a_100138415774_100011211530 [0,1,0,1,0,0|1,0,1]=4 8822 B11R1.28 COCCOC1CCCCC1 7a_100000210231_100000233755 [0,1,0,1,0,0|1,0,1]=4 8823 B11R1.28 COCCOC1CCCCC1 7a_100011249652_200000210301 [0,1,0,1,0,0|1,0,1]=4 8824 B11R1.28 COCCSC1C=CCCC1 62a_100000233755_100000751183 [0,1,0,1,0,0|2,0,0]=4 8825 B11R1.28 COCCSC1C=CCCC1 62a_100000751183_100000233755 [0,1,0,1,0,0|2,0,0]=4 8826 B11R1.28 COCCSC1CCCCC1 62a_100000210327_100000233755 [0,1,0,1,0,0|1,0,1]=4 8827 B11R1.28 COCCSC1CCCCC1 62a_100000233755_100000210327 [0,1,0,1,0,0|1,0,1]=4 8828 B11R1.28 CSCCNC1C=CCCC1 2230a_100020590264_100000751183 [0,1,0,1,0,0|2,0,0]=4 8829 B11R1.28 CSCCOC1C=CCCC1 34a_100011215024_100000212216 [0,1,0,1,0,0|2,0,0]=4 8830 B11R1.28 CSCCOC1C=CCCC1 7a_100000230434_100000751183 [0,1,0,1,0,0|2,0,0]=4 8831 B11R1.28 CSCCSC1C=CCCC1 62a_100000212216_100000751183 [0,1,0,1,0,0|2,0,0]=4 8832 B11R1.28 CSCCSC1C=CCCC1 62a_100000751183_100000751147 [0,1,0,1,0,0|2,0,0]=4 8833 B11R1.28 FCCCNC1C=CCCC1 2230a_100015189416_100000751183 [0,1,0,1,0,0|2,0,0]=4 8834 B11R1.28 FCCCOC1C=CCCC1 34a_100011215024_100011934791 [0,1,0,1,0,0|2,0,0]=4 8835 B11R1.28 FCCCSC1C=CCCC1 62a_100000751183_100011934791 [0,1,0,1,0,0|2,0,0]=4 8836 B11R1.28 FCCCSC1C=CCCC1 62a_100011934791_100000751183 [0,1,0,1,0,0|2,0,0]=4 8837 B11R1.28 NOCCOC1CCCCC1 34a_100000700252_100000210327 [0,1,0,1,0,0|1,0,1]=4 8838 B11R1.28 OCCCNC1CCCCC1 2230a_100000182618_100000230001 [0,1,0,1,0,0|0,0,2]=4 8839 B11R1.28 OCCCNC1CCCCC1 270004a_100000182051_100000210434 [0,1,0,1,0,0|0,0,2]=4 8840 B11R1.28 OCCCNC1CCCCC1 34a_100000182618_100000230001 [0,1,0,1,0,0|0,0,2]=4 8841 B11R1.28 OCCCNC1CCCOC1 2230a_100000719290_100000230001 [0,1,0,1,0,0|1,0,1]=4 8842 B11R1.28 OCCCNC1CCCOC1 270004a_100000182051_100000753404 [0,1,0,1,0,0|1,0,1]=4 8843 B11R1.28 OCCCNC1CCCOC1 34a_100000719290_100000230001 [0,1,0,1,0,0|1,0,1]=4 8844 B11R1.28 OCCCNC1CCCSC1 270004a_100000182051_100000057913 [0,1,0,1,0,0|1,0,1]=4 8845 B11R1.28 OCCCNC1CCNCC1 270004a_100000182051_100015192401 [0,1,0,1,0,0|1,0,1]=4 8846 B11R1.28 OCCCNC1CCOCC1 2230a_100000741149_100000230001 [0,1,0,1,0,0|1,0,1]=4 8847 B11R1.28 OCCCNC1CCOCC1 270004a_100000182051_100011217826 [0,1,0,1,0,0|1,0,1]=4 8848 B11R1.28 OCCCNC1CCOCC1 34a_100000741149_100000230001 [0,1,0,1,0,0|1,0,1]=4 8849 B11R1.28 OCCCNC1CCSCC1 2230a_100000748639_100000230001 [0,1,0,1,0,0|1,0,1]=4 8850 B11R1.28 OCCCNC1CCSCC1 270004a_100000182051_100000203788 [0,1,0,1,0,0|1,0,1]=4 8851 B11R1.28 OCCCNC1CCSCC1 34a_100000748639_100000230001 [0,1,0,1,0,0|1,0,1]=4 8852 B11R1.28 OCCCOC1C=CCCC1 34a_100011215024_100000230001 [0,1,0,1,0,0|2,0,0]=4 8853 B11R1.28 OCCCOC1CCCCC1 34a_100000210231_100000230001 [0,1,0,1,0,0|0,0,2]=4 8854 B11R1.28 OCCCOC1CCCCC1 7a_100000210231_100011215043 [0,1,0,1,0,0|0,0,2]=4 8855 B11R1.28 OCCCOC1CCCCO1 34a_100000033831_100000230001 [0,1,0,1,0,0|1,0,1]=4 8856 B11R1.28 OCCCOC1CCCOC1 34a_100000754041_100000230001 [0,1,0,1,0,0|1,0,1]=4 8857 B11R1.28 OCCCOC1CCCSC1 7a_100015962668_100011215043 [0,1,0,1,0,0|1,0,1]=4 8858 B11R1.28 OCCCOC1CCOCC1 34a_100000744328_100000230001 [0,1,0,1,0,0|1,0,1]=4 8859 B11R1.28 OCCCOC1CCSCC1 34a_100000731022_100000230001 [0,1,0,1,0,0|1,0,1]=4 8860 B11R1.28 OCCCOC1CCSCC1 7a_100000731022_100011215043 [0,1,0,1,0,0|1,0,1]=4 8861 B11R1.28 OCCCSC1C=CCCC1 62a_100000751183_100011215043 [0,1,0,1,0,0|2,0,0]=4 8862 B11R1.28 OCCCSC1C=CCCC1 62a_100011215043_100000751183 [0,1,0,1,0,0|2,0,0]=4 8863 B11R1.28 OCCCSC1CCCCC1 62a_100000210327_100011215043 [0,1,0,1,0,0|0,0,2]=4 8864 B11R1.28 OCCCSC1CCCCC1 62a_100011215043_100000210327 [0,1,0,1,0,0|0,0,2]=4 8865 B11R1.28 OCCCSC1CCCOC1 62a_100011215043_100000693364 [0,1,0,1,0,0|1,0,1]=4 8866 B11R1.28 OCCCSC1CCOCC1 62a_100011215043_100011324220 [0,1,0,1,0,0|1,0,1]=4 8867 B11R1.28 OCCCSC1CCSCC1 62a_100011215043_100000069128 [0,1,0,1,0,0|1,0,1]=4 8868 B11R1.28 OCCNCC1CCCCC1 2230a_100000210473_100000211926 [0,1,0,1,0,0|0,0,2]=4 8869 B11R1.28 OCCNCC1CCCCC1 2230a_100016997473_100000211423 [0,1,0,1,0,0|0,0,2]=4 8870 B11R1.28 OCCNCC1CCCCC1 269862a_100000210304_100000211278 [0,1,0,1,0,0|0,0,2]=4 8871 B11R1.28 OCCNCC1CCCCC1 34a_100000210473_100000211926 [0,1,0,1,0,0|0,0,2]=4 8872 B11R1.28 OCCNCC1CCCCC1 34a_100016990907_100000211423 [0,1,0,1,0,0|0,0,2]=4 8873 B11R1.28 OCCNCC1CCCCO1 2230a_100000174945_100000211926 [0,1,0,1,0,0|1,0,1]=4 8874 B11R1.28 OCCNCC1CCCCO1 2230a_100016997473_100000211543 [0,1,0,1,0,0|1,0,1]=4 8875 B11R1.28 OCCNCC1CCCCO1 34a_100000174945_100000211926 [0,1,0,1,0,0|1,0,1]=4 8876 B11R1.28 OCCNCC1CCCCO1 34a_100016990907_100000211543 [0,1,0,1,0,0|1,0,1]=4 8877 B11R1.28 OCCNCC1CCCOC1 2230a_100000720124_100000211926 [0,1,0,1,0,0|1,0,1]=4 8878 B11R1.28 OCCNCC1CCCOC1 2230a_100016997473_100000741521 [0,1,0,1,0,0|1,0,1]=4 8879 B11R1.28 OCCNCC1CCCOC1 34a_100000720124_100000211926 [0,1,0,1,0,0|1,0,1]=4 8880 B11R1.28 OCCNCC1CCCOC1 34a_100016990907_100000741521 [0,1,0,1,0,0|1,0,1]=4 8881 B11R1.28 OCCNCC1CCOCC1 2230a_100000746373_100000211926 [0,1,0,1,0,0|1,0,1]=4 8882 B11R1.28 OCCNCC1CCOCC1 2230a_100016997473_100000754603 [0,1,0,1,0,0|1,0,1]=4 8883 B11R1.28 OCCNCC1CCOCC1 269862a_100000210304_100000749017 [0,1,0,1,0,0|1,0,1]=4 8884 B11R1.28 OCCNCC1CCOCC1 34a_100000746373_100000211926 [0,1,0,1,0,0|1,0,1]=4 8885 B11R1.28 OCCNCC1CCOCC1 34a_100016990907_100000754603 [0,1,0,1,0,0|1,0,1]=4 8886 B11R1.28 OCCNCC1CCSCC1 2230a_100015188806_100000211926 [0,1,0,1,0,0|1,0,1]=4 8887 B11R1.28 OCCNCC1CCSCC1 269862a_100000210304_100000067145 [0,1,0,1,0,0|1,0,1]=4 8888 B11R1.28 OCCNCC1CCSCC1 270004a_100000210304_100000067145 [0,1,0,1,0,0|1,0,1]=4 8889 B11R1.28 OCCNCC1CCSCC1 34a_100015188806_100000211926 [0,1,0,1,0,0|1,0,1]=4 8890 B11R1.28 OCCNN=C1CCCCC1 4a_100000210001_100000210434 [0,1,0,1,0,0|1,0,0]=3 8891 B11R1.28 OCCNN=C1CCCOC1 4a_100000210001_100000753404 [0,1,0,1,0,0|2,0,0]=4 8892 B11R1.28 OCCNN=C1CCCSC1 4a_100000210001_100000057913 [0,1,0,1,0,0|2,0,0]=4 8893 B11R1.28 OCCNN=C1CCOCC1 4a_100000210001_100011217826 [0,1,0,1,0,0|2,0,0]=4 8894 B11R1.28 OCCNN=C1CCSCC1 4a_100000210001_100000203788 [0,1,0,1,0,0|2,0,0]=4 8895 B11R1.28 OCCOCC1CCCCC1 34a_100000212181_100000211926 [0,1,0,1,0,0|0,0,2]=4 8896 B11R1.28 OCCOCC1CCCCC1 7a_100000212181_100000211926 [0,1,0,1,0,0|0,0,2]=4 8897 B11R1.28 OCCOCC1CCCCN1 34a_100000210821_100000211926 [0,1,0,1,0,0|1,0,1]=4 8898 B11R1.28 OCCOCC1CCCCO1 34a_100000211370_100000211926 [0,1,0,1,0,0|1,0,1]=4 8899 B11R1.28 OCCOCC1CCCCO1 7a_100000211370_100000211926 [0,1,0,1,0,0|1,0,1]=4 8900 B11R1.28 OCCOCC1CCCNC1 34a_100000211344_100000211926 [0,1,0,1,0,0|1,0,1]=4 8901 B11R1.28 OCCOCC1CCCOC1 34a_100000741520_100000211926 [0,1,0,1,0,0|1,0,1]=4 8902 B11R1.28 OCCOCC1CCNCC1 34a_100000738675_100000211926 [0,1,0,1,0,0|1,0,1]=4 8903 B11R1.28 OCCOCC1CCOCC1 34a_100000749013_100000211926 [0,1,0,1,0,0|1,0,1]=4 8904 B11R1.28 OCCOCC1CCSCC1 34a_100000070558_100000211926 [0,1,0,1,0,0|1,0,1]=4 8905 B11R1.28 OCCOCC1CCSCC1 7a_100000070558_100000211926 [0,1,0,1,0,0|1,0,1]=4 8906 B11R1.28 OCCSCC1CCCCC1 62a_100000211423_100000211926 [0,1,0,1,0,0|0,0,2]=4 8907 B11R1.28 OCCSCC1CCCCC1 62a_100000211926_100000211423 [0,1,0,1,0,0|0,0,2]=4 8908 B11R1.28 OCCSCC1CCCCO1 62a_100000211543_100000211926 [0,1,0,1,0,0|1,0,1]=4 8909 B11R1.28 OCCSCC1CCCCO1 62a_100000211926_100000211543 [0,1,0,1,0,0|1,0,1]=4 8910 B11R1.28 OCCSCC1CCCOC1 62a_100000211926_100000741521 [0,1,0,1,0,0|1,0,1]=4 8911 B11R1.28 OCCSCC1CCCOC1 62a_100000741521_100000211926 [0,1,0,1,0,0|1,0,1]=4 8912 B11R1.28 OCCSCC1CCOCC1 62a_100000211926_100000749018 [0,1,0,1,0,0|1,0,1]=4 8913 B11R1.28 OCCSCC1CCOCC1 62a_100000754603_100000211926 [0,1,0,1,0,0|1,0,1]=4 8914 B11R1.28 [13CH3]OCCCC1CCCCC1 34a_100000198086_200025704644 [0,1,0,1,0,0|0,0,2]=4 8915 B11R1.28 [13CH3]OCCCC1CCCCC1 7a_100000198086_200025704644 [0,1,0,1,0,0|0,0,2]=4 8916 B11R1.28 [13CH3]OCCCN1CCCCC1 34a_100000212458_200025704644 [0,1,0,1,0,0|1,0,1]=4 8917 B11R1.28 [13CH3]OCCNC1CCCCC1 34a_100000200466_200025704644 [0,1,0,1,0,0|1,0,1]=4 8918 B11R1.28 [13CH3]OCCOC1CCCCC1 34a_100011249652_200025704644 [0,1,0,1,0,0|1,0,1]=4 8919 B11R1.28 [13CH3]OCCOC1CCCCC1 7a_100011249652_200025704644 [0,1,0,1,0,0|1,0,1]=4 8920 B11R1.41 CCC1CCCCN1CCO 2230a_100000210034_100000211926 [0,1,0,1,0,0|0,0,2]=4 8921 B11R1.41 CCC1CCCCN1CCO 269982a_100000210034_100000211926 [0,1,0,1,0,0|0,0,2]=4 8922 B11R1.41 CCC1CCCCN1CCO 34a_100000210034_100000211926 [0,1,0,1,0,0|0,0,2]=4 8923 B11R1.41 CCCC1CCCCC1OC 34a_100011217265_200000210301 [0,1,0,1,0,0|0,0,2]=4 8924 B11R1.41 CCCC1CCCCC1OC 7a_100011217265_200000210301 [0,1,0,1,0,0|0,0,2]=4 8925 B11R1.41 CCCC1CCCCC1O[13CH3] 34a_100011217265_200025704644 [0,1,0,1,0,0|0,0,2]=4 8926 B11R1.41 CCCC1CCCCC1O[13CH3] 7a_100011217265_200025704644 [0,1,0,1,0,0|0,0,2]=4 8927 B11R1.41 CCCN1CCCCC1CO 2230a_100000210821_100000210303 [0,1,0,1,0,0|0,0,2]=4 8928 B11R1.41 CCCN1CCCCC1CO 269982a_100000210821_100000210303 [0,1,0,1,0,0|0,0,2]=4 8929 B11R1.41 CCCN1CCCCC1CO 34a_100000210821_100000210303 [0,1,0,1,0,0|0,0,2]=4 8930 B11R1.41 CCCN1CCOC[C@H]1CO 2230a_100000717676_100000210303 [0,1,0,1,0,0|1,0,1]=4 8931 B11R1.41 CCCN1CCOC[C@H]1CO 269982a_100000717676_100000210303 [0,1,0,1,0,0|1,0,1]=4 8932 B11R1.41 CCCN1CCOC[C@H]1CO 34a_100000717676_100000210303 [0,1,0,1,0,0|1,0,1]=4 8933 B11R1.41 CCN1CCCCC1CCO 2230a_100000211664_100000210202 [0,1,0,1,0,0|0,0,2]=4 8934 B11R1.41 CCN1CCCCC1CCO 269982a_100000211664_100000204670 [0,1,0,1,0,0|0,0,2]=4 8935 B11R1.41 CCN1CCCCC1CCO 34a_100000211664_100000210202 [0,1,0,1,0,0|0,0,2]=4 8936 B11R1.41 CCNC1CCCCC1CO 270004a_100015525214_100009861125 [0,1,0,1,0,0|0,0,2]=4 8937 B11R1.41 CCNC1CCOCC1CO 2230a_214813039666_100000210202 [0,1,0,1,0,0|1,0,1]=4 8938 B11R1.41 CCNC1CCOCC1CO 34a_214813039666_100000210202 [0,1,0,1,0,0|1,0,1]=4 8939 B11R1.41 CC[C@H]1COCCN1CCO 2230a_100016988097_100000211926 [0,1,0,1,0,0|1,0,1]=4 8940 B11R1.41 CC[C@H]1COCCN1CCO 269982a_100016988097_100000211926 [0,1,0,1,0,0|1,0,1]=4 8941 B11R1.41 CC[C@H]1COCCN1CCO 34a_100016988097_100000211926 [0,1,0,1,0,0|1,0,1]=4 8942 B11R1.41 OCCN1CCCCC1CO 2230a_100000210821_100000211926 [0,1,0,1,0,0|1,0,1]=4 8943 B11R1.41 OCCN1CCCCC1CO 269982a_100000210821_100000211926 [0,1,0,1,0,0|1,0,1]=4 8944 B11R1.41 OCCN1CCCCC1CO 34a_100000210821_100000211926 [0,1,0,1,0,0|1,0,1]=4 8945 B11R1.47 CCC/C=C/COC1CCC1 34a_100016278788_100000749161 [0,1,0,1,0,0|1,0,0]=3 8946 B11R1.47 CCC/C=C/COC1COC1 34a_100016278788_100009818527 [0,1,0,1,0,0|2,0,0]=4 8947 B11R1.47 CCC/C=C/COC1COC1 7a_100016278788_100009818527 [0,1,0,1,0,0|2,0,0]=4 8948 B11R1.47 CCCC=NNCC1CCC1 4a_200020586977_100000185831 [0,1,0,1,0,0|2,0,0]=4 8949 B11R1.47 CCCCCCNC1COC1 2230a_100016991112_100000210314 [0,1,0,1,0,0|1,0,1]=4 8950 B11R1.47 CCCCCCOC1COC1 34a_100000210259_100009818527 [0,1,0,1,0,0|1,0,1]=4 8951 B11R1.47 CCCCCCOC1COC1 7a_100000210259_100009818527 [0,1,0,1,0,0|1,0,1]=4 8952 B11R1.47 CCCCCCSC1COC1 62a_100000210314_100009818527 [0,1,0,1,0,0|1,0,1]=4 8953 B11R1.47 CCCCCNCC1CCO1 2230a_100000209983_100000103362 [0,1,0,1,0,0|0,0,2]=4 8954 B11R1.47 CCCCCNCC1COC1 2230a_100000209983_100010264016 [0,1,0,1,0,0|1,0,1]=4 8955 B11R1.47 CCCCCNCC1COC1 2230a_100015281925_100000210326 [0,1,0,1,0,0|1,0,1]=4 8956 B11R1.47 CCCCCNCC1COC1 34a_100015281925_100000718602 [0,1,0,1,0,0|1,0,1]=4 8957 B11R1.47 CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210326 [0,1,0,1,0,0|0,0,2]=4 8958 B11R1.47 CCCCCNC[C@@H]1CCO1 34a_100020831831_100000718602 [0,1,0,1,0,0|0,0,2]=4 8959 B11R1.47 CCCCCNN=C1CCC1 4a_100000694160_100000241760 [0,1,0,1,0,0|2,0,0]=4 8960 B11R1.47 CCCCCOCC1CCO1 34a_100000039022_100000718602 [0,1,0,1,0,0|0,0,2]=4 8961 B11R1.47 CCCCCOCC1CCO1 34a_100000210253_100000103362 [0,1,0,1,0,0|0,0,2]=4 8962 B11R1.47 CCCCCOCC1CCO1 7a_100000210253_100000103362 [0,1,0,1,0,0|0,0,2]=4 8963 B11R1.47 CCCCCOCC1COC1 34a_100000060846_100000718602 [0,1,0,1,0,0|1,0,1]=4 8964 B11R1.47 CCCCCOCC1COC1 34a_100000210253_100010264016 [0,1,0,1,0,0|1,0,1]=4 8965 B11R1.47 CCCCCOCC1COC1 7a_100000210253_100010264016 [0,1,0,1,0,0|1,0,1]=4 8966 B11R1.47 CCCCCSCC1CCO1 62a_100000103362_100000210326 [0,1,0,1,0,0|0,0,2]=4 8967 B11R1.47 CCCCCSCC1CCO1 62a_100000210326_100000103362 [0,1,0,1,0,0|0,0,2]=4 8968 B11R1.47 CCCCCSCC1COC1 62a_100000210326_100010264016 [0,1,0,1,0,0|1,0,1]=4 8969 B11R1.47 CCCCCSCC1COC1 62a_100010264016_100000210326 [0,1,0,1,0,0|1,0,1]=4 8970 B11R1.47 CCCCNN=CC1COC1 4a_100025702795_100010291929 [0,1,0,1,0,0|2,0,0]=4 8971 B11R1.47 COCCCNCC1CCC1 2230a_100000738700_100000740836 [0,1,0,1,0,0|1,0,1]=4 8972 B11R1.47 COCCCNCC1CCC1 269862a_100150723488_100000753134 [0,1,0,1,0,0|1,0,1]=4 8973 B11R1.47 COCCCNCC1CCC1 34a_100000738700_100000740836 [0,1,0,1,0,0|1,0,1]=4 8974 B11R1.47 COCCCNCC1CCC1 34a_100150723488_100000763275 [0,1,0,1,0,0|1,0,1]=4 8975 B11R1.47 COCCCOCC1CCC1 34a_100000740835_100000763275 [0,1,0,1,0,0|1,0,1]=4 8976 B11R1.47 COCCCOCC1CCC1 34a_100000760304_100000740836 [0,1,0,1,0,0|1,0,1]=4 8977 B11R1.47 COCCCSCC1CCC1 62a_100000709357_100000763275 [0,1,0,1,0,0|1,0,1]=4 8978 B11R1.47 COCCCSCC1CCC1 62a_100000763275_100000709357 [0,1,0,1,0,0|1,0,1]=4 8979 B11R1.47 OCCCCCCN1CCC1 269982a_100000754969_100000766143 [0,1,0,1,0,0|0,0,2]=4 8980 B11R1.47 OCCCCCNC1CCC1 2230a_100000749019_100000746330 [0,1,0,1,0,0|0,0,2]=4 8981 B11R1.47 OCCCCCNC1CCC1 270004a_100000762737_100000241760 [0,1,0,1,0,0|0,0,2]=4 8982 B11R1.47 OCCCCCNC1CCC1 34a_100000749019_100000746330 [0,1,0,1,0,0|0,0,2]=4 8983 B11R1.47 OCCCCCNC1CCC1 34a_100000762737_100000749161 [0,1,0,1,0,0|0,0,2]=4 8984 B11R1.47 OCCCCCOC1CCC1 34a_100000748187_100000746330 [0,1,0,1,0,0|0,0,2]=4 8985 B11R1.47 OCCCCCSC1CCC1 62a_100000746330_100000749161 [0,1,0,1,0,0|0,0,2]=4 8986 B11R1.47 OCCCCNCC1CCC1 2230a_100000738700_100000210776 [0,1,0,1,0,0|0,0,2]=4 8987 B11R1.47 OCCCCNCC1CCC1 2230a_100000750430_100000763275 [0,1,0,1,0,0|0,0,2]=4 8988 B11R1.47 OCCCCNCC1CCC1 269862a_100000750430_100000753134 [0,1,0,1,0,0|0,0,2]=4 8989 B11R1.47 OCCCCNCC1CCC1 34a_100000738700_100011216708 [0,1,0,1,0,0|0,0,2]=4 8990 B11R1.47 OCCCCNCC1CCC1 34a_100000750430_100000763275 [0,1,0,1,0,0|0,0,2]=4 8991 B11R1.47 OCCCCOCC1CCC1 34a_100000760304_100011216708 [0,1,0,1,0,0|0,0,2]=4 8992 B11R1.47 OCCCCSCC1CCC1 62a_100000210776_100000763275 [0,1,0,1,0,0|0,0,2]=4 8993 B11R1.47 OCCCCSCC1CCC1 62a_100000763275_100000210776 [0,1,0,1,0,0|0,0,2]=4 8994 B11R1.47 OCCCOCCC1COC1 34a_100009855314_100000230001 [0,1,0,1,0,0|1,0,1]=4 8995 B11R1.47 OCCOCCNC1CCC1 2230a_100000749019_100011215305 [0,1,0,1,0,0|1,0,1]=4 8996 B11R1.47 OCCOCCNC1CCC1 270004a_100000211614_100000241760 [0,1,0,1,0,0|1,0,1]=4 8997 B11R1.47 OCCOCCNC1CCC1 34a_100000211614_100000749161 [0,1,0,1,0,0|1,0,1]=4 8998 B11R1.47 OCCOCCNC1CCC1 34a_100000749019_100000692535 [0,1,0,1,0,0|1,0,1]=4 8999 B11R1.47 OCCOCCOC1CCC1 34a_100000748187_100000692535 [0,1,0,1,0,0|1,0,1]=4 9000 B11R1.47 OCCOCCSC1CCC1 62a_100011215305_100000749161 [0,1,0,1,0,0|1,0,1]=4 9001 B11R1.47 OCCSCCNC1CCC1 270004a_100011219999_100000241760 [0,1,0,1,0,0|1,0,1]=4 9002 B11R1.109 COC[C@@H]1CCCN1CCO 2230a_100020646714_100000211926 [0,1,0,1,0,0|1,0,1]=4 9003 B11R1.109 COC[C@@H]1CCCN1CCO 269982a_100020646714_100000211926 [0,1,0,1,0,0|1,0,1]=4 9004 B11R1.109 COC[C@@H]1CCCN1CCO 34a_100020646714_100000211926 [0,1,0,1,0,0|1,0,1]=4 9005 B11R1.190 CC1CCN1CCCCCO 269982a_100000755817_100000746330 [0,1,0,1,0,0|0,0,2]=4 9006 B11R1.190 CC1CCN1CCCCCO 34a_100000755817_100000746330 [0,1,0,1,0,0|0,0,2]=4 9007 B11R1.190 CC1CCN1CCOCCO 269982a_100000755817_100011215305 [0,1,0,1,0,0|1,0,1]=4 9008 B11R1.190 CC1CCN1CCOCCO 34a_100000755817_100000692535 [0,1,0,1,0,0|1,0,1]=4 9009 B11R1.203 COCCN1CCCCCC1 2230a_100000185865_100011201679 [0,1,0,1,0,0|1,0,1]=4 9010 B11R1.203 COCCN1CCCCCC1 269982a_100000185865_100000233755 [0,1,0,1,0,0|1,0,1]=4 9011 B11R1.203 COCCN1CCCCCC1 34a_100000185865_100011201679 [0,1,0,1,0,0|1,0,1]=4 9012 B11R1.203 COCCN1CCCCCC1 34a_100000238007_200000210301 [0,1,0,1,0,0|1,0,1]=4 9013 B11R1.203 OCCCN1CCCCCC1 2230a_100000185865_100000230001 [0,1,0,1,0,0|0,0,2]=4 9014 B11R1.203 OCCCN1CCCCCC1 269982a_100000185865_100011215043 [0,1,0,1,0,0|0,0,2]=4 9015 B11R1.203 OCCCN1CCCCCC1 34a_100000185865_100000230001 [0,1,0,1,0,0|0,0,2]=4 9016 B11R1.203 OCCCN1CCCOCC1 2230a_100000685342_100000230001 [0,1,0,1,0,0|1,0,1]=4 9017 B11R1.203 OCCCN1CCCOCC1 269982a_100000685342_100011215043 [0,1,0,1,0,0|1,0,1]=4 9018 B11R1.203 OCCCN1CCCOCC1 34a_100000685342_100000230001 [0,1,0,1,0,0|1,0,1]=4 9019 B11R1.203 OCCNC1CCCCCC1 2230a_100000210984_100000211926 [0,1,0,1,0,0|0,0,2]=4 9020 B11R1.203 OCCNC1CCCCCC1 270004a_100000210304_100000210131 [0,1,0,1,0,0|0,0,2]=4 9021 B11R1.203 OCCNC1CCCCCC1 34a_100000210984_100000211926 [0,1,0,1,0,0|0,0,2]=4 9022 B11R1.203 OCCNC1CCCCCC1 34a_100016990907_100011217769 [0,1,0,1,0,0|0,0,2]=4 9023 B11R1.203 OCCNC1CCCNCC1 270004a_100000210304_100015187895 [0,1,0,1,0,0|1,0,1]=4 9024 B11R1.203 OCCOC1CCCCCC1 34a_100000210887_100000211926 [0,1,0,1,0,0|0,0,2]=4 9025 B11R1.203 OCCOC1CCCCCC1 7a_100000210887_100000211926 [0,1,0,1,0,0|0,0,2]=4 9026 B11R1.203 OCCSC1CCCCCC1 62a_100000211926_100011217769 [0,1,0,1,0,0|0,0,2]=4 9027 B11R1.203 OCCSC1CCCCCC1 62a_100011217769_100000211926 [0,1,0,1,0,0|0,0,2]=4 9028 B11R1.203 [13CH3]OCCN1CCCCCC1 34a_100000238007_200025704644 [0,1,0,1,0,0|1,0,1]=4 9029 B11R1.232 COCC1CCN1CCCO 2230a_100015195929_100000230001 [0,1,0,1,0,0|1,0,1]=4 9030 B11R1.232 COCC1CCN1CCCO 269982a_100015195929_100011215043 [0,1,0,1,0,0|1,0,1]=4 9031 B11R1.232 COCC1CCN1CCCO 34a_100015195929_100000230001 [0,1,0,1,0,0|1,0,1]=4 9032 B11R1.1 CC1CCC(CC1)NCCO 270004a_100000210304_100000185489 [0,1,0,1,0,0|1,0,1]=4 9033 B11R1.1 CC1CCC(CC1)NCCO 34a_100016990907_200011216234 [0,1,0,1,0,0|1,0,1]=4 9034 B11R1.1 CC1CCC(CC1)OCCO 34a_100000210714_100000211926 [0,1,0,1,0,0|1,0,1]=4 9035 B11R1.1 CC1CCC(CC1)OCCO 7a_100000210714_100000211926 [0,1,0,1,0,0|1,0,1]=4 9036 B11R1.1 CC1CCC(CC1)SCCO 62a_100000211926_200011216234 [0,1,0,1,0,0|1,0,1]=4 9037 B11R1.1 CC1CCN(CC1)CCCO 2230a_100000188429_100000230001 [0,1,0,1,0,0|1,0,1]=4 9038 B11R1.1 CC1CCN(CC1)CCCO 269982a_100000188429_100011215043 [0,1,0,1,0,0|1,0,1]=4 9039 B11R1.1 CC1CCN(CC1)CCCO 34a_100000188429_100000230001 [0,1,0,1,0,0|1,0,1]=4 9040 B11R1.1 C[C@H]1CC[C@@H](CC1)NCCO 2230a_100020625639_100000211926 [0,1,0,1,0,0|1,0,1]=4 9041 B11R1.1 C[C@H]1CC[C@@H](CC1)NCCO 34a_100020625639_100000211926 [0,1,0,1,0,0|1,0,1]=4 9042 B11R1.1 N[C@H]1CC[C@H](CC1)OCCO 34a_100020628982_100000211926 [0,1,0,1,0,0|1,0,1]=4 9043 B11R1.1 OCCCN1CCC(CC1)F 2230a_100015193889_100000230001 [0,1,0,1,0,0|1,0,1]=4 9044 B11R1.1 OCCCN1CCC(CC1)F 269982a_100015193889_100011215043 [0,1,0,1,0,0|1,0,1]=4 9045 B11R1.1 OCCCN1CCC(CC1)F 34a_100015193889_100000230001 [0,1,0,1,0,0|1,0,1]=4 9046 B11R1.1 OCCCN1CCC(CC1)O 2230a_100025773856_100000230001 [0,1,0,1,0,0|1,0,1]=4 9047 B11R1.1 OCCCN1CCC(CC1)O 269982a_100025773856_100011215043 [0,1,0,1,0,0|1,0,1]=4 9048 B11R1.1 OCCNC1CCC(CC1)O 270004a_100000210304_100000764474 [0,1,0,1,0,0|1,0,1]=4 9049 B11R1.25 CC(CO)CNC1CCCC1 34a_100000744482_100000179811 [0,1,0,1,0,0|1,0,1]=4 9050 B11R1.25 CC(CO)NCC1CCCC1 2230a_100000737975_100012180447 [0,1,0,1,0,0|1,0,1]=4 9051 B11R1.25 CC(CO)NCC1CCCC1 34a_100000737975_100012180447 [0,1,0,1,0,0|1,0,1]=4 9052 B11R1.25 CC(CO)OCC1CCCC1 34a_100000742336_100012180447 [0,1,0,1,0,0|1,0,1]=4 9053 B11R1.25 CC(CO)OCC1CCCC1 7a_100000742336_100012180447 [0,1,0,1,0,0|1,0,1]=4 9054 B11R1.25 CC(CO)SCC1CCCC1 62a_100012180447_100000740388 [0,1,0,1,0,0|1,0,1]=4 9055 B11R1.25 C[C@@H](CO)CNC1CCCC1 2230a_100000211070_100000059175 [0,1,0,1,0,0|1,0,1]=4 9056 B11R1.25 C[C@@H](CO)CNC1CCCC1 34a_100000211070_100000059175 [0,1,0,1,0,0|1,0,1]=4 9057 B11R1.25 C[C@@H](CO)COC1CCCC1 34a_100000210269_100000059175 [0,1,0,1,0,0|1,0,1]=4 9058 B11R1.25 C[C@@H](CO)COC1CCCC1 7a_100000210269_100000059175 [0,1,0,1,0,0|1,0,1]=4 9059 B11R1.25 C[C@@H](CO)CSC1CCCC1 62a_100000059175_100000179811 [0,1,0,1,0,0|1,0,1]=4 9060 B11R1.25 C[C@@H](CO)CSC1CCCC1 62a_100011217020_100000059175 [0,1,0,1,0,0|1,0,1]=4 9061 B11R1.25 C[C@H](CO)NCC1CCCC1 2230a_100000737577_100000740388 [0,1,0,1,0,0|1,0,1]=4 9062 B11R1.25 C[C@H](CO)NCC1CCCC1 269862a_100000737577_100000746403 [0,1,0,1,0,0|1,0,1]=4 9063 B11R1.25 C[C@H](CO)SCC1CCCC1 62a_100000740388_100016084084 [0,1,0,1,0,0|1,0,1]=4 9064 B11R1.25 C[C@H](CO)SCC1CCCC1 62a_100016084084_100000740388 [0,1,0,1,0,0|1,0,1]=4 9065 B11R1.25 OCC(O)CNC1CCCC1 2230a_100000211070_100011219619 [0,1,0,1,0,0|1,0,1]=4 9066 B11R1.25 OCC(O)CNC1CCCC1 34a_100000211070_100011219619 [0,1,0,1,0,0|1,0,1]=4 9067 B11R1.25 OCC(O)COC1CCCC1 34a_100000210269_100011219619 [0,1,0,1,0,0|1,0,1]=4 9068 B11R1.25 OCC(O)COC1CCCC1 7a_100000210269_100011219619 [0,1,0,1,0,0|1,0,1]=4 9069 B11R1.25 OCC(O)CSC1CCCC1 62a_100011217020_100011219619 [0,1,0,1,0,0|1,0,1]=4 9070 B11R1.25 OCC(O)CSC1CCCC1 62a_100011219619_100000179811 [0,1,0,1,0,0|1,0,1]=4 9071 B11R1.25 OC[C@@H](O)CNC1CCCC1 2230a_100020644852_100000179811 [0,1,0,1,0,0|1,0,1]=4 9072 B11R1.25 OC[C@H](F)CNC1CCCC1 270004a_100015665980_100000210133 [0,1,0,1,0,0|1,0,1]=4 9073 B11R1.25 OC[C@H](F)CNC1CCCC1 34a_100015665980_100000179811 [0,1,0,1,0,0|1,0,1]=4 9074 B11R1.25 OC[C@H](O)CNC1CCCC1 2230a_100000211070_100009815848 [0,1,0,1,0,0|1,0,1]=4 9075 B11R1.25 OC[C@H](O)CNC1CCCC1 34a_100000211070_100009815848 [0,1,0,1,0,0|1,0,1]=4 9076 B11R1.25 OC[C@H](O)COC1CCCC1 34a_100000210269_100009815848 [0,1,0,1,0,0|1,0,1]=4 9077 B11R1.25 OC[C@H](O)COC1CCCC1 7a_100000210269_100009815848 [0,1,0,1,0,0|1,0,1]=4 9078 B11R1.25 OC[C@H](O)CSC1CCCC1 62a_100009815848_100000179811 [0,1,0,1,0,0|1,0,1]=4 9079 B11R1.25 OC[C@H](O)CSC1CCCC1 62a_100011217020_100009815848 [0,1,0,1,0,0|1,0,1]=4 9080 B11R1.40 CC(CO)NC1CCCCC1 2230a_100000182618_100012180447 [0,1,0,1,0,0|1,0,1]=4 9081 B11R1.40 CC(CO)NC1CCCCC1 34a_100000182618_100012180447 [0,1,0,1,0,0|1,0,1]=4 9082 B11R1.40 CC(CO)OC1CCCCC1 34a_100000210231_100012180447 [0,1,0,1,0,0|1,0,1]=4 9083 B11R1.40 CC(CO)OC1CCCCC1 7a_100000210231_100012180447 [0,1,0,1,0,0|1,0,1]=4 9084 B11R1.40 CC(CO)SC1CCCCC1 62a_100012180447_100000210327 [0,1,0,1,0,0|1,0,1]=4 9085 B11R1.40 CCC(=O)C=C1CCCCC1 1458a_100000743792_100000210202 [0,1,0,1,0,0|1,0,1]=4 9086 B11R1.40 CCC(C)NC1C=CCCC1 2230a_100000209981_100000751183 [0,1,0,1,0,0|2,0,0]=4 9087 B11R1.40 CCC(C)OC1C=CCCC1 34a_100011215024_100011215416 [0,1,0,1,0,0|2,0,0]=4 9088 B11R1.40 CCC(C)OC1C=CCCC1 7a_100000210228_100000751183 [0,1,0,1,0,0|2,0,0]=4 9089 B11R1.40 CCC(C)SC1C=CCCC1 62a_100000751183_100000758301 [0,1,0,1,0,0|2,0,0]=4 9090 B11R1.40 CCC(C)SC1C=CCCC1 62a_100000758301_100000751183 [0,1,0,1,0,0|2,0,0]=4 9091 B11R1.40 C[C@H](CO)NC1CCCCC1 270004a_100000737577_100000210434 [0,1,0,1,0,0|1,0,1]=4 9092 B11R1.40 C[C@H](CO)SC1CCCCC1 62a_100000210327_100016084084 [0,1,0,1,0,0|1,0,1]=4 9093 B11R1.40 C[C@H](CO)SC1CCCCC1 62a_100016084084_100000210327 [0,1,0,1,0,0|1,0,1]=4 9094 B11R1.40 O=C(C=C1CCCCC1)CF 1458a_100000743792_100015361967 [0,1,0,1,0,0|1,0,1]=4 9095 B11R1.59 CCC(C)N1CC=CC1CC 2230a_100000730860_100000758301 [0,1,0,1,0,0|2,0,0]=4 9096 B11R1.59 CCC(C)N1CC=CC1CC 269982a_100000730860_100000758301 [0,1,0,1,0,0|2,0,0]=4 9097 B11R1.59 CCC(C)N1CC=CC1CC 34a_100000730860_100011215416 [0,1,0,1,0,0|2,0,0]=4 9098 B11R1.59 CCC1CCCN1C(C)CO 2230a_100000754278_100012180447 [0,1,0,1,0,0|1,0,1]=4 9099 B11R1.59 CCC1CCCN1C(C)CO 34a_100000754278_100012180447 [0,1,0,1,0,0|1,0,1]=4 9100 B11R1.59 CCC1CCCN1[C@H](C)CO 269982a_100000754278_100016084084 [0,1,0,1,0,0|1,0,1]=4 9101 B11R1.214 CCC1CCC(C1)NCCO 270004a_100000210304_100011218773 [0,1,0,1,0,0|1,0,1]=4 9102 B11R1.214 CCCCc1ccc(o1)CO 271570a_100020621405_100000246276 [0,1,0,1,0,0|0,0,2]=4 9103 B11R1.214 CCCCc1ccc(s1)CO 271570a_100020621405_100000246291 [0,1,0,1,0,0|0,0,2]=4 9104 B11R1.214 CCCN[C@H]1C=C[C@H](C1)CO 2230a_100020646542_100000210303 [0,1,0,1,0,0|1,0,0]=3 9105 B11R1.214 CCCN[C@H]1C=C[C@H](C1)CO 34a_100020646542_100000210303 [0,1,0,1,0,0|1,0,0]=3 9106 B11R1.214 COCN[C@H]1C=C[C@H](C1)CO 2230a_100020646542_100000766300 [0,1,0,1,0,0|2,0,0]=4 9107 B11R1.214 CSCN[C@H]1C=C[C@H](C1)CO 2230a_100020646542_100011218213 [0,1,0,1,0,0|2,0,0]=4 9108 B11R1.214 CSCN[C@H]1C=C[C@H](C1)CO 34a_100020646542_100011218213 [0,1,0,1,0,0|2,0,0]=4 9109 B11R1.214 OCCN[C@H]1C=C[C@H](C1)CO 2230a_100020646542_100000211926 [0,1,0,1,0,0|2,0,0]=4 9110 B11R1.214 OCCN[C@H]1C=C[C@H](C1)CO 34a_100020646542_100000211926 [0,1,0,1,0,0|2,0,0]=4 9111 B11R1.214 OC[C@@H]1C=C[C@@H](C1)NCCF 2230a_100020646542_100011217306 [0,1,0,1,0,0|2,0,0]=4 9112 B11R1.214 OC[C@@H]1C=C[C@@H](C1)NCCF 34a_100020646542_100011217306 [0,1,0,1,0,0|2,0,0]=4 9113 B11R1.222 CC(CO)N1CCCCC1C 2230a_100000211376_100012180447 [0,1,0,1,0,0|1,0,1]=4 9114 B11R1.222 CC(CO)N1CCCCC1C 34a_100000211376_100012180447 [0,1,0,1,0,0|1,0,1]=4 9115 B11R1.222 CC1CCCCN1[C@H](C)CO 269982a_100000211376_100016084084 [0,1,0,1,0,0|1,0,1]=4 9116 B11R1.228 CC(CO)OC1CCCC1C 34a_100011216460_100012180447 [0,1,0,1,0,0|1,0,1]=4 9117 B11R1.228 CC(CO)OC1CCCC1C 7a_100011216460_100012180447 [0,1,0,1,0,0|1,0,1]=4 9118 B11R1.228 CC1CCCC1N[C@H](C)CO 269862a_100000737577_100000752053 [0,1,0,1,0,0|1,0,1]=4 9119 B11R1.228 C[C@@H](CO)CN1CCC[C@@H]1C 2230a_100020605311_100000059175 [0,1,0,1,0,0|1,0,1]=4 9120 B11R1.228 C[C@@H](CO)CN1CCC[C@@H]1C 269982a_100020605311_100000059175 [0,1,0,1,0,0|1,0,1]=4 9121 B11R1.228 C[C@@H](CO)CN1CCC[C@H]1C 2230a_100015189458_100000059175 [0,1,0,1,0,0|1,0,1]=4 9122 B11R1.228 C[C@@H](CO)CN1CCC[C@H]1C 269982a_100015189458_100000059175 [0,1,0,1,0,0|1,0,1]=4 9123 B11R1.228 C[C@@H](CO)CN1CCC[C@H]1C 34a_100015189458_100000059175 [0,1,0,1,0,0|1,0,1]=4 9124 B11R1.228 C[C@@H]1CCCN1CC(O)CO 2230a_100015189458_100011219619 [0,1,0,1,0,0|1,0,1]=4 9125 B11R1.228 C[C@@H]1CCCN1CC(O)CO 34a_100015189458_100011219619 [0,1,0,1,0,0|1,0,1]=4 9126 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CO 2230a_100015189458_100009815848 [0,1,0,1,0,0|1,0,1]=4 9127 B11R1.228 C[C@@H]1CCCN1C[C@@H](O)CO 34a_100015189458_100009815848 [0,1,0,1,0,0|1,0,1]=4 9128 B11R1.228 C[C@H]1CCCN1CC(O)CO 2230a_100020605311_100011219619 [0,1,0,1,0,0|1,0,1]=4 9129 B11R1.228 C[C@H]1CCCN1C[C@@H](O)CO 2230a_100020605311_100009815848 [0,1,0,1,0,0|1,0,1]=4 9130 B11R1.235 CC1CC1COCC(O)CO 34a_100000744939_100011219619 [0,1,0,1,0,0|1,0,1]=4 9131 B11R1.235 CC1CC1COCC(O)CO 7a_100000744939_100011219619 [0,1,0,1,0,0|1,0,1]=4 9132 B11R1.235 CC1CC1COC[C@@H](C)CO 34a_100000744939_100000059175 [0,1,0,1,0,0|1,0,1]=4 9133 B11R1.235 CC1CC1COC[C@@H](C)CO 7a_100000744939_100000059175 [0,1,0,1,0,0|1,0,1]=4 9134 B11R1.235 CC1CC1COC[C@@H](O)CO 34a_100000744939_100009815848 [0,1,0,1,0,0|1,0,1]=4 9135 B11R1.235 CC1CC1COC[C@@H](O)CO 7a_100000744939_100009815848 [0,1,0,1,0,0|1,0,1]=4 9136 B11R1.236 CC(CO)CNCC1CCC1 269862a_100000744482_100000753134 [0,1,0,1,0,0|1,0,1]=4 9137 B11R1.236 CC(CO)CNCC1CCC1 34a_100000744482_100000763275 [0,1,0,1,0,0|1,0,1]=4 9138 B11R1.236 C[C@@H](CO)CNCC1CCC1 2230a_100000738700_100000059175 [0,1,0,1,0,0|1,0,1]=4 9139 B11R1.236 C[C@@H](CO)CNCC1CCC1 34a_100000738700_100000059175 [0,1,0,1,0,0|1,0,1]=4 9140 B11R1.236 C[C@@H](CO)COCC1CCC1 34a_100000760304_100000059175 [0,1,0,1,0,0|1,0,1]=4 9141 B11R1.236 C[C@@H](CO)CSCC1CCC1 62a_100000059175_100000763275 [0,1,0,1,0,0|1,0,1]=4 9142 B11R1.236 C[C@@H](CO)CSCC1CCC1 62a_100000763275_100000059175 [0,1,0,1,0,0|1,0,1]=4 9143 B11R1.236 OCC(O)C=NNC1CCC1 4a_100000736358_100000033539 [0,1,0,1,0,0|2,0,0]=4 9144 B11R1.236 OCC(O)CNCC1CCC1 2230a_100000738700_100011219619 [0,1,0,1,0,0|1,0,1]=4 9145 B11R1.236 OCC(O)CNCC1CCC1 34a_100000738700_100011219619 [0,1,0,1,0,0|1,0,1]=4 9146 B11R1.236 OCC(O)COCC1CCC1 34a_100000760304_100011219619 [0,1,0,1,0,0|1,0,1]=4 9147 B11R1.236 OCC(O)CSCC1CCC1 62a_100000763275_100011219619 [0,1,0,1,0,0|1,0,1]=4 9148 B11R1.236 OCC(O)CSCC1CCC1 62a_100011219619_100000763275 [0,1,0,1,0,0|1,0,1]=4 9149 B11R1.236 OC[C@@H](O)CNCC1CCC1 2230a_100020644852_100000763275 [0,1,0,1,0,0|1,0,1]=4 9150 B11R1.236 OC[C@@H](O)CNCC1CCC1 269862a_100020644852_100000753134 [0,1,0,1,0,0|1,0,1]=4 9151 B11R1.236 OC[C@H](F)CNCC1CCC1 269862a_100015665980_100000753134 [0,1,0,1,0,0|1,0,1]=4 9152 B11R1.236 OC[C@H](F)CNCC1CCC1 34a_100015665980_100000763275 [0,1,0,1,0,0|1,0,1]=4 9153 B11R1.236 OC[C@H](O)CNCC1CCC1 2230a_100000738700_100009815848 [0,1,0,1,0,0|1,0,1]=4 9154 B11R1.236 OC[C@H](O)CNCC1CCC1 34a_100000738700_100009815848 [0,1,0,1,0,0|1,0,1]=4 9155 B11R1.236 OC[C@H](O)COCC1CCC1 34a_100000760304_100009815848 [0,1,0,1,0,0|1,0,1]=4 9156 B11R1.236 OC[C@H](O)CSCC1CCC1 62a_100000763275_100009815848 [0,1,0,1,0,0|1,0,1]=4 9157 B11R1.236 OC[C@H](O)CSCC1CCC1 62a_100009815848_100000763275 [0,1,0,1,0,0|1,0,1]=4 9158 B11R1.237 CC(CO)CNCCC1CC1 34a_100000744482_100000694398 [0,1,0,1,0,0|1,0,1]=4 9159 B11R1.237 CCC(C)CCNCC1CO1 2230a_100020591266_100011216344 [0,1,0,1,0,0|1,0,1]=4 9160 B11R1.237 CCC(C)CCOCC1CO1 7a_100011215188_102125554688 [0,1,0,1,0,0|1,0,1]=4 9161 B11R1.237 CCC(C)CCOC[C@@H]1CO1 7a_100011215188_100000745022 [0,1,0,1,0,0|1,0,1]=4 9162 B11R1.237 C[C@@H](CO)CNCCC1CC1 34a_100000764129_100000059175 [0,1,0,1,0,0|1,0,1]=4 9163 B11R1.237 C[C@@H](CO)COCCC1CC1 34a_100000754188_100000059175 [0,1,0,1,0,0|1,0,1]=4 9164 B11R1.237 C[C@@H](CO)COCCC1CC1 7a_100000754188_100000059175 [0,1,0,1,0,0|1,0,1]=4 9165 B11R1.237 C[C@@H](CO)CSCCC1CC1 62a_100000059175_100000764125 [0,1,0,1,0,0|1,0,1]=4 9166 B11R1.237 C[C@@H](CO)CSCCC1CC1 62a_100000764125_100000059175 [0,1,0,1,0,0|1,0,1]=4 9167 B11R1.237 OCC(O)C=NNCC1CC1 4a_100000736359_100000033539 [0,1,0,1,0,0|2,0,0]=4 9168 B11R1.237 OCC(O)CNCCC1CC1 34a_100000764129_100011219619 [0,1,0,1,0,0|1,0,1]=4 9169 B11R1.237 OCC(O)COCCC1CC1 34a_100000754188_100011219619 [0,1,0,1,0,0|1,0,1]=4 9170 B11R1.237 OCC(O)COCCC1CC1 7a_100000754188_100011219619 [0,1,0,1,0,0|1,0,1]=4 9171 B11R1.237 OCC(O)CSCCC1CC1 62a_100000764125_100011219619 [0,1,0,1,0,0|1,0,1]=4 9172 B11R1.237 OCC(O)CSCCC1CC1 62a_100011219619_100000764125 [0,1,0,1,0,0|1,0,1]=4 9173 B11R1.237 OC[C@@H](O)CNCCC1CC1 2230a_100020644852_100000694398 [0,1,0,1,0,0|1,0,1]=4 9174 B11R1.237 OC[C@H](F)CNCCC1CC1 34a_100015665980_100000694398 [0,1,0,1,0,0|1,0,1]=4 9175 B11R1.237 OC[C@H](O)CNCCC1CC1 34a_100000764129_100009815848 [0,1,0,1,0,0|1,0,1]=4 9176 B11R1.237 OC[C@H](O)COCCC1CC1 34a_100000754188_100009815848 [0,1,0,1,0,0|1,0,1]=4 9177 B11R1.237 OC[C@H](O)COCCC1CC1 7a_100000754188_100009815848 [0,1,0,1,0,0|1,0,1]=4 9178 B11R1.237 OC[C@H](O)CSCCC1CC1 62a_100000764125_100009815848 [0,1,0,1,0,0|1,0,1]=4 9179 B11R1.237 OC[C@H](O)CSCCC1CC1 62a_100009815848_100000764125 [0,1,0,1,0,0|1,0,1]=4 9180 B11R1.320 CCCCCOCC1(CO1)C 34a_100000210253_100000760498 [0,1,0,1,0,0|1,0,1]=4 9181 B11R1.320 CCCCCSCC1(CO1)C 62a_100000210326_100000760498 [0,1,0,1,0,0|1,0,1]=4 9182 B11R1.320 CCCCCSCC1(CO1)C 62a_100000760498_100000210326 [0,1,0,1,0,0|1,0,1]=4 9183 B11R1.759 CCCCCN1CC(C1)CO 269982a_100016987283_100000210215 [0,1,0,1,0,0|1,0,1]=4 9184 B11R1.759 CCCCCN1CC(C1)CO 34a_100016987283_100000718602 [0,1,0,1,0,0|1,0,1]=4 9185 B11R1.852 CC(CO)N1CCCCCC1 2230a_100000185865_100012180447 [0,1,0,1,0,0|1,0,1]=4 9186 B11R1.852 CC(CO)N1CCCCCC1 34a_100000185865_100012180447 [0,1,0,1,0,0|1,0,1]=4 9187 B11R1.852 C[C@H](CO)N1CCCCCC1 269982a_100000185865_100016084084 [0,1,0,1,0,0|1,0,1]=4 9188 B11R1.29 CC(NCCO)C1CCCC1 2230a_100015185923_100000211926 [0,1,0,1,0,0|1,0,1]=4 9189 B11R1.29 CC(NCCO)C1CCCC1 269862a_100000210304_100000749594 [0,1,0,1,0,0|1,0,1]=4 9190 B11R1.29 CC(NCCO)C1CCCC1 270004a_100000210304_100000749594 [0,1,0,1,0,0|1,0,1]=4 9191 B11R1.29 CC(NCCO)C1CCCC1 34a_100015185923_100000211926 [0,1,0,1,0,0|1,0,1]=4 9192 B11R1.29 CC(OCCO)C1CCCC1 34a_100011216366_100000211926 [0,1,0,1,0,0|1,0,1]=4 9193 B11R1.29 CC(OCCO)C1CCCC1 7a_100011216366_100000211926 [0,1,0,1,0,0|1,0,1]=4 9194 B11R1.29 CCC=CC(=O)C1CCCC1 1458a_100000212282_100000179811 [0,1,0,1,0,0|1,0,1]=4 9195 B11R1.29 CCCCC(=O)C1=CCCC1 1458a_100000038896_100000210211 [0,1,0,1,0,0|1,0,1]=4 9196 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210183_100000179811 [0,1,0,1,0,0|1,0,1]=4 9197 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210718_100000210211 [0,1,0,1,0,0|1,0,1]=4 9198 B11R1.29 CCCNC(=O)C1CCCC1 11a_100020643023_100000210718 [0,1,0,1,0,0|2,0,0]=4 9199 B11R1.29 CCCNC(=O)C1CCCC1 1626a_100020643023_100000210718 [0,1,0,1,0,0|2,0,0]=4 9200 B11R1.29 CCCNC(=O)C1CCCC1 240690a_100020643023_100000210718 [0,1,0,1,0,0|2,0,0]=4 9201 B11R1.29 CCCNC(=O)C1CCCC1 527a_100020643023_100000210718 [0,1,0,1,0,0|2,0,0]=4 9202 B11R1.29 CN(CCCO)C1CCCC1 2230a_100000207505_100000230001 [0,1,0,1,0,0|1,0,1]=4 9203 B11R1.29 CN(CCCO)C1CCCC1 2230a_100000213112_100000179811 [0,1,0,1,0,0|1,0,1]=4 9204 B11R1.29 CN(CCCO)C1CCCC1 269982a_100000207505_100011215043 [0,1,0,1,0,0|1,0,1]=4 9205 B11R1.29 CN(CCCO)C1CCCC1 269982a_100000213112_100000179811 [0,1,0,1,0,0|1,0,1]=4 9206 B11R1.29 CN(CCCO)C1CCCC1 270004a_100000213112_100000210133 [0,1,0,1,0,0|1,0,1]=4 9207 B11R1.29 CN(CCCO)C1CCCC1 34a_100000207505_100000230001 [0,1,0,1,0,0|1,0,1]=4 9208 B11R1.29 O=C(C#CCO)C1CCCC1 1458a_100000049017_100000179811 [0,1,0,1,0,0|0,0,2]=4 9209 B11R1.29 O=C(CCCF)C1CCCC1 1458a_100000210718_100011934791 [0,1,0,1,0,0|1,0,1]=4 9210 B11R1.29 O=C(CCCO)C1CCCC1 1458a_100000210718_100011215043 [0,1,0,1,0,0|0,0,1]=3 9211 B11R1.29 O=C(CCCO)C1CCCS1 1458a_100012002731_100011215043 [0,1,0,1,0,0|1,0,1]=4 9212 B11R1.29 O=C(CCCO)C1CCOC1 1458a_100011219752_100011215043 [0,1,0,1,0,0|1,0,1]=4 9213 B11R1.29 O=C(CCCO)[C@@H]1CCCO1 1458a_100000686382_100011215043 [0,1,0,1,0,0|1,0,1]=4 9214 B11R1.29 O=C(NCCF)C1CCCC1 11a_100000724931_100000210718 [0,1,0,1,0,0|2,0,0]=4 9215 B11R1.29 O=C(NCCF)C1CCCC1 1626a_100000724931_100000210718 [0,1,0,1,0,0|2,0,0]=4 9216 B11R1.29 O=C(NCCF)C1CCCC1 240690a_100000724931_100000210718 [0,1,0,1,0,0|2,0,0]=4 9217 B11R1.29 O=C(NCCF)C1CCCC1 527a_100000724931_100000210718 [0,1,0,1,0,0|2,0,0]=4 9218 B11R1.29 O=C(NCCO)C1CCCC1 240690a_100000210304_100000210718 [0,1,0,1,0,0|1,0,0]=3 9219 B11R1.29 O=C(NCCO)C1CCCC1 527a_100000210304_100000210718 [0,1,0,1,0,0|1,0,0]=3 9220 B11R1.29 O=C(NCCO)C1CCCS1 240690a_100000210304_100012002731 [0,1,0,1,0,0|2,0,0]=4 9221 B11R1.29 O=C(NCCO)C1CCCS1 527a_100000210304_100012002731 [0,1,0,1,0,0|2,0,0]=4 9222 B11R1.29 O=C(NCCO)C1CCOC1 240690a_100000210304_100011219752 [0,1,0,1,0,0|2,0,0]=4 9223 B11R1.29 O=C(NCCO)C1CCOC1 527a_100000210304_100011219752 [0,1,0,1,0,0|2,0,0]=4 9224 B11R1.29 O=C(NCCO)N1CCCC1 273464a_100000210304_100000188435 [0,1,0,1,0,0|2,0,0]=4 9225 B11R1.29 O=C(NCCO)[C@@H]1CCCO1 240690a_100000210304_100000686382 [0,1,0,1,0,0|2,0,0]=4 9226 B11R1.29 O=C(NCCO)[C@@H]1CCCO1 527a_100000210304_100000686382 [0,1,0,1,0,0|2,0,0]=4 9227 B11R1.282 CCC1CC1C(=O)CCCF 1458a_200011661523_100011934791 [0,1,0,1,0,0|1,0,1]=4 9228 B11R1.282 CCC1CC1C(=O)CCCO 1458a_200011661523_100011215043 [0,1,0,1,0,0|0,0,1]=3 9229 B11R1.282 CCC1CC1C(=O)NCCF 11a_100000724931_200011661523 [0,1,0,1,0,0|2,0,0]=4 9230 B11R1.282 CCC1CC1C(=O)NCCF 1626a_100000724931_200011661523 [0,1,0,1,0,0|2,0,0]=4 9231 B11R1.282 CCC1CC1C(=O)NCCF 240690a_100000724931_200011661523 [0,1,0,1,0,0|2,0,0]=4 9232 B11R1.282 CCC1CC1C(=O)NCCF 527a_100000724931_200011661523 [0,1,0,1,0,0|2,0,0]=4 9233 B11R1.282 CCC1CC1C(=O)NCCO 240690a_100000210304_200011661523 [0,1,0,1,0,0|1,0,0]=3 9234 B11R1.282 CCC1CC1C(=O)NCCO 527a_100000210304_200011661523 [0,1,0,1,0,0|1,0,0]=3 9235 B11R1.282 CCCCC(=O)C1CC1CC 1458a_200011661523_100000210211 [0,1,0,1,0,0|1,0,1]=4 9236 B11R1.282 CCCNC(=O)C1CC1CC 11a_100020643023_200011661523 [0,1,0,1,0,0|2,0,0]=4 9237 B11R1.282 CCCNC(=O)C1CC1CC 1626a_100020643023_200011661523 [0,1,0,1,0,0|2,0,0]=4 9238 B11R1.282 CCCNC(=O)C1CC1CC 240690a_100020643023_200011661523 [0,1,0,1,0,0|2,0,0]=4 9239 B11R1.282 CCCNC(=O)C1CC1CC 527a_100020643023_200011661523 [0,1,0,1,0,0|2,0,0]=4 9240 B11R1.284 CCC=CC(=O)CC1CCC1 1458a_100000212282_100000763275 [0,1,0,1,0,0|1,0,1]=4 9241 B11R1.284 CCCCC(=O)C=C1CCC1 1458a_100000686340_100000210211 [0,1,0,1,0,0|1,0,1]=4 9242 B11R1.284 CCCCC(=O)CC1CCC1 1458a_100000210183_100000763275 [0,1,0,1,0,0|1,0,1]=4 9243 B11R1.284 CCCCC(=O)CC1CCC1 1458a_100000763092_100000210211 [0,1,0,1,0,0|1,0,1]=4 9244 B11R1.284 CCCNC(=O)CC1CCC1 11a_100020643023_100000763092 [0,1,0,1,0,0|2,0,0]=4 9245 B11R1.284 CCCNC(=O)CC1CCC1 1626a_100020643023_100000763092 [0,1,0,1,0,0|2,0,0]=4 9246 B11R1.284 CCCNC(=O)CC1CCC1 240690a_100020643023_100000763092 [0,1,0,1,0,0|2,0,0]=4 9247 B11R1.284 CCCNC(=O)CC1CCC1 527a_100020643023_100000763092 [0,1,0,1,0,0|2,0,0]=4 9248 B11R1.284 CN(CCCO)CC1CCC1 2230a_100000213112_100000763275 [0,1,0,1,0,0|1,0,1]=4 9249 B11R1.284 CN(CCCO)CC1CCC1 2230a_200000750244_100000230001 [0,1,0,1,0,0|1,0,1]=4 9250 B11R1.284 CN(CCCO)CC1CCC1 269982a_100000213112_100000763275 [0,1,0,1,0,0|1,0,1]=4 9251 B11R1.284 CN(CCCO)CC1CCC1 269982a_200000750244_100011215043 [0,1,0,1,0,0|1,0,1]=4 9252 B11R1.284 CN(CCCO)CC1CCC1 34a_200000750244_100000230001 [0,1,0,1,0,0|1,0,1]=4 9253 B11R1.284 O=C(C#CCO)CC1CCC1 1458a_100000049017_100000763275 [0,1,0,1,0,0|0,0,2]=4 9254 B11R1.284 O=C(CC1CCC1)NCCF 11a_100000724931_100000763092 [0,1,0,1,0,0|2,0,0]=4 9255 B11R1.284 O=C(CC1CCC1)NCCF 1626a_100000724931_100000763092 [0,1,0,1,0,0|2,0,0]=4 9256 B11R1.284 O=C(CC1CCC1)NCCF 240690a_100000724931_100000763092 [0,1,0,1,0,0|2,0,0]=4 9257 B11R1.284 O=C(CC1CCC1)NCCF 527a_100000724931_100000763092 [0,1,0,1,0,0|2,0,0]=4 9258 B11R1.284 O=C(CC1CCC1)NCCO 240690a_100000210304_100000763092 [0,1,0,1,0,0|1,0,0]=3 9259 B11R1.284 O=C(CC1CCC1)NCCO 527a_100000210304_100000763092 [0,1,0,1,0,0|1,0,0]=3 9260 B11R1.284 O=C(CCCF)CC1CCC1 1458a_100000763092_100011934791 [0,1,0,1,0,0|1,0,1]=4 9261 B11R1.284 O=C(CCCO)CC1CCC1 1458a_100000763092_100011215043 [0,1,0,1,0,0|0,0,1]=3 9262 B11R1.284 O=C(CCCO)CC1COC1 1458a_100000687760_100011215043 [0,1,0,1,0,0|1,0,1]=4 9263 B11R1.284 O=C(NCCO)NC1CCC1 273464a_100000210304_100000749019 [0,1,0,1,0,0|2,0,0]=4 9264 B11R1.284 O=C(NCCO)NC1CCC1 273464a_100000749019_100000210304 [0,1,0,1,0,0|2,0,0]=4 9265 B11R1.284 O=C(NCCO)NC1CCC1 512a_100000749019_100000210304 [0,1,0,1,0,0|2,0,0]=4 9266 B11R1.285 CCC=CC(=O)CCC1CC1 1458a_100000212282_100000694398 [0,1,0,1,0,0|1,0,1]=4 9267 B11R1.285 CCCCC(=O)C=CC1CC1 1458a_100102529529_100000210211 [0,1,0,1,0,0|1,0,1]=4 9268 B11R1.285 CCCCC(=O)CCC1CC1 1458a_100000210183_100000694398 [0,1,0,1,0,0|1,0,1]=4 9269 B11R1.285 CCCCC(=O)CCC1CC1 1458a_100000756386_100000210211 [0,1,0,1,0,0|1,0,1]=4 9270 B11R1.285 CCCCC(C)NCC1CO1 2230a_100000126638_100011216344 [0,1,0,1,0,0|1,0,1]=4 9271 B11R1.285 CCCCC(C)OCC1CO1 34a_100000687866_102125554688 [0,1,0,1,0,0|1,0,1]=4 9272 B11R1.285 CCCCC(C)OCC1CO1 7a_100000687866_102125554688 [0,1,0,1,0,0|1,0,1]=4 9273 B11R1.285 CCCCC(C)OC[C@@H]1CO1 34a_100000757423_200011215066 [0,1,0,1,0,0|1,0,1]=4 9274 B11R1.285 CCCCC(C)OC[C@@H]1CO1 7a_100000687866_100000745022 [0,1,0,1,0,0|1,0,1]=4 9275 B11R1.285 CCCCC(C)SCC1CO1 62a_102125554688_200011215066 [0,1,0,1,0,0|1,0,1]=4 9276 B11R1.285 CCCCC(C)SCC1CO1 62a_200011215066_102125554688 [0,1,0,1,0,0|1,0,1]=4 9277 B11R1.285 CCCCC(C)SC[C@@H]1CO1 62a_100000745022_200011215066 [0,1,0,1,0,0|1,0,1]=4 9278 B11R1.285 CCCCC(C)SC[C@@H]1CO1 62a_200011215066_100000745022 [0,1,0,1,0,0|1,0,1]=4 9279 B11R1.285 CCCNC(=O)CCC1CC1 11a_100020643023_100000756386 [0,1,0,1,0,0|2,0,0]=4 9280 B11R1.285 CCCNC(=O)CCC1CC1 1626a_100020643023_100000756386 [0,1,0,1,0,0|2,0,0]=4 9281 B11R1.285 CCCNC(=O)CCC1CC1 240690a_100020643023_100000756386 [0,1,0,1,0,0|2,0,0]=4 9282 B11R1.285 CCCNC(=O)CCC1CC1 527a_100020643023_100000756386 [0,1,0,1,0,0|2,0,0]=4 9283 B11R1.285 CN(CCCO)CCC1CC1 2230a_100000213112_100000694398 [0,1,0,1,0,0|1,0,1]=4 9284 B11R1.285 CN(CCCO)CCC1CC1 269982a_100000213112_100000694398 [0,1,0,1,0,0|1,0,1]=4 9285 B11R1.285 O=C(C#CCO)CCC1CC1 1458a_100000049017_100000694398 [0,1,0,1,0,0|0,0,2]=4 9286 B11R1.285 O=C(CCC1CC1)NCCF 11a_100000724931_100000756386 [0,1,0,1,0,0|2,0,0]=4 9287 B11R1.285 O=C(CCC1CC1)NCCF 1626a_100000724931_100000756386 [0,1,0,1,0,0|2,0,0]=4 9288 B11R1.285 O=C(CCC1CC1)NCCF 240690a_100000724931_100000756386 [0,1,0,1,0,0|2,0,0]=4 9289 B11R1.285 O=C(CCC1CC1)NCCF 527a_100000724931_100000756386 [0,1,0,1,0,0|2,0,0]=4 9290 B11R1.285 O=C(CCC1CC1)NCCO 240690a_100000210304_100000756386 [0,1,0,1,0,0|1,0,0]=3 9291 B11R1.285 O=C(CCC1CC1)NCCO 527a_100000210304_100000756386 [0,1,0,1,0,0|1,0,0]=3 9292 B11R1.285 O=C(CCCF)CCC1CC1 1458a_100000756386_100011934791 [0,1,0,1,0,0|1,0,1]=4 9293 B11R1.285 O=C(CCCO)CCC1CC1 1458a_100000756386_100011215043 [0,1,0,1,0,0|0,0,1]=3 9294 B11R1.285 O=C(NCCO)NCC1CC1 2708a_100000735609_100000210304 [0,1,0,1,0,0|2,0,0]=4 9295 B11R1.285 O=C(NCCO)NCC1CC1 273464a_100000210304_100000735609 [0,1,0,1,0,0|2,0,0]=4 9296 B11R1.285 O=C(NCCO)NCC1CC1 273464a_100000735609_100000210304 [0,1,0,1,0,0|2,0,0]=4 9297 B11R1.285 O=C(NCCO)NCC1CC1 512a_100000735609_100000210304 [0,1,0,1,0,0|2,0,0]=4 9298 B11R1.286 CC1CCN1C(=O)NCCO 273464a_100000210304_100000755817 [0,1,0,1,0,0|2,0,0]=4 9299 B11R1.299 CC(NCCCO)C1CCC1 2230a_100016994624_100000230001 [0,1,0,1,0,0|1,0,1]=4 9300 B11R1.299 CC(NCCCO)C1CCC1 269862a_100000182051_100000760154 [0,1,0,1,0,0|1,0,1]=4 9301 B11R1.299 CC(NCCCO)C1CCC1 34a_100016994624_100000230001 [0,1,0,1,0,0|1,0,1]=4 9302 B11R1.299 CC(OCCCO)C1CCC1 34a_100000766398_100000230001 [0,1,0,1,0,0|1,0,1]=4 9303 B11R1.299 CC(OCCCO)C1CCC1 7a_100000766398_100011215043 [0,1,0,1,0,0|1,0,1]=4 9304 B11R1.299 CCCC=CC(=O)C1CCC1 1458a_100000212230_100000749161 [0,1,0,1,0,0|1,0,1]=4 9305 B11R1.299 CCCCCC(=O)C1CCC1 1458a_100000209988_100000210326 [0,1,0,1,0,0|1,0,1]=4 9306 B11R1.299 CCCCCC(=O)C1CCC1 1458a_100000212188_100000749161 [0,1,0,1,0,0|1,0,1]=4 9307 B11R1.299 CCCCCC(=O)C1CCO1 1458a_100000089072_100000210326 [0,1,0,1,0,0|0,0,1]=3 9308 B11R1.299 CCCCCC(=O)N1CCC1 11a_100000754969_100000212188 [0,1,0,1,0,0|2,0,0]=4 9309 B11R1.299 CCCCCC(=O)N1CCC1 240690a_100000754969_100000212188 [0,1,0,1,0,0|2,0,0]=4 9310 B11R1.299 CCCCCC(=O)N1CCC1 527a_100000754969_100000212188 [0,1,0,1,0,0|2,0,0]=4 9311 B11R1.299 CCCCNC(=O)C1CCO1 11a_100000102301_100000089072 [0,1,0,1,0,0|1,0,1]=4 9312 B11R1.299 CCCCNC(=O)C1CCO1 1626a_100000102301_100000089072 [0,1,0,1,0,0|1,0,1]=4 9313 B11R1.299 CCCCNC(=O)C1CCO1 240690a_100000102301_100000089072 [0,1,0,1,0,0|1,0,1]=4 9314 B11R1.299 CCCCNC(=O)C1CCO1 527a_100000102301_100000089072 [0,1,0,1,0,0|1,0,1]=4 9315 B11R1.299 CCOCCC(=O)C1CCO1 1458a_100000089072_100011215890 [0,1,0,1,0,0|1,0,1]=4 9316 B11R1.299 CCSCCC(=O)C1CCO1 1458a_100000089072_100000757381 [0,1,0,1,0,0|1,0,1]=4 9317 B11R1.299 COCCCC(=O)C1CCO1 1458a_100000089072_100000740836 [0,1,0,1,0,0|1,0,1]=4 9318 B11R1.299 O=C(CCCCF)C1CCO1 1458a_100000089072_100000729493 [0,1,0,1,0,0|1,0,1]=4 9319 B11R1.299 O=C(CCCCO)C1CCO1 1458a_100000089072_100000210776 [0,1,0,1,0,0|1,0,1]=4 9320 B11R1.301 CC(CC1CC1)NCCCO 270004a_100000182051_200000686933 [0,1,0,1,0,0|1,0,1]=4 9321 B11R1.301 CCCC=CC(=O)CC1CC1 1458a_100000212230_100000742324 [0,1,0,1,0,0|1,0,1]=4 9322 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000212188_100000742324 [0,1,0,1,0,0|1,0,1]=4 9323 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000738066_100000210326 [0,1,0,1,0,0|1,0,1]=4 9324 B11R1.301 CCCCCC(=O)CC1CO1 1458a_100000212188_100011216344 [0,1,0,1,0,0|0,0,1]=3 9325 B11R1.301 CCCCCC(=O)CC1CS1 1458a_100000212188_100000031435 [0,1,0,1,0,0|0,1,1]=4 9326 B11R1.301 CCCCCC(=O)C[C@@H]1CO1 1458a_100000212188_100000745022 [0,1,0,1,0,0|0,0,1]=3 9327 B11R1.301 CCCCCC(=O)NC1CC1 1626a_100000212008_100000212188 [0,1,0,1,0,0|2,0,0]=4 9328 B11R1.301 CCCCCC(=O)NC1CC1 240690a_100000212008_100000212188 [0,1,0,1,0,0|2,0,0]=4 9329 B11R1.301 CCCCCC(=O)NC1CC1 527a_100000212008_100000212188 [0,1,0,1,0,0|2,0,0]=4 9330 B11R1.301 CCCCCN(C)CC1CO1 2230a_100000223495_100011216344 [0,1,0,1,0,0|1,0,1]=4 9331 B11R1.301 CCCCCN(C)CC1CO1 269982a_100000223495_102125554688 [0,1,0,1,0,0|1,0,1]=4 9332 B11R1.301 CCCCCN(C)C[C@@H]1CO1 269982a_100000223495_100000745022 [0,1,0,1,0,0|1,0,1]=4 9333 B11R1.301 CCCOCC(=O)CC1CO1 1458a_100000745993_100011216344 [0,1,0,1,0,0|1,0,1]=4 9334 B11R1.301 CCCOCC(=O)C[C@@H]1CO1 1458a_100000745993_100000745022 [0,1,0,1,0,0|1,0,1]=4 9335 B11R1.301 CCCSCC(=O)CC1CO1 1458a_100000217233_100011216344 [0,1,0,1,0,0|1,0,1]=4 9336 B11R1.301 CCCSCC(=O)C[C@@H]1CO1 1458a_100000217233_100000745022 [0,1,0,1,0,0|1,0,1]=4 9337 B11R1.301 CCOCCC(=O)CC1CO1 1458a_100000749530_100011216344 [0,1,0,1,0,0|1,0,1]=4 9338 B11R1.301 CCOCCC(=O)C[C@@H]1CO1 1458a_100000749530_100000745022 [0,1,0,1,0,0|1,0,1]=4 9339 B11R1.301 CCSCCC(=O)CC1CO1 1458a_100000230768_100011216344 [0,1,0,1,0,0|1,0,1]=4 9340 B11R1.301 CCSCCC(=O)C[C@@H]1CO1 1458a_100000230768_100000745022 [0,1,0,1,0,0|1,0,1]=4 9341 B11R1.301 COCCCC(=O)CC1CO1 1458a_100000741012_100011216344 [0,1,0,1,0,0|1,0,1]=4 9342 B11R1.301 COCCCC(=O)C[C@@H]1CO1 1458a_100000741012_100000745022 [0,1,0,1,0,0|1,0,1]=4 9343 B11R1.301 CSCCCC(=O)CC1CO1 1458a_100000173376_100011216344 [0,1,0,1,0,0|1,0,1]=4 9344 B11R1.301 CSCCCC(=O)C[C@@H]1CO1 1458a_100000173376_100000745022 [0,1,0,1,0,0|1,0,1]=4 9345 B11R1.301 O=C(CCCCO)CC1CO1 1458a_100000695505_100011216344 [0,1,0,1,0,0|1,0,1]=4 9346 B11R1.301 O=C(CCCCO)C[C@@H]1CO1 1458a_100000695505_100000745022 [0,1,0,1,0,0|1,0,1]=4 9347 B11R1.465 CC1CCC(N1CCCO)C 2230a_100000687148_100000230001 [0,1,0,1,0,0|1,0,1]=4 9348 B11R1.465 CC1CCC(N1CCCO)C 269982a_100000687148_100011215043 [0,1,0,1,0,0|1,0,1]=4 9349 B11R1.465 CC1CCC(N1CCCO)C 34a_100000687148_100000230001 [0,1,0,1,0,0|1,0,1]=4 9350 B11R1.605 CC1CCCC(N1CCO)C 2230a_100000210447_100000211926 [0,1,0,1,0,0|1,0,1]=4 9351 B11R1.605 CC1CCCC(N1CCO)C 269982a_100000210447_100000211926 [0,1,0,1,0,0|1,0,1]=4 9352 B11R1.605 CC1CCCC(N1CCO)C 34a_100000210447_100000211926 [0,1,0,1,0,0|1,0,1]=4 9353 B11R1.756 CC1(CCCC1)OCCCO 34a_100000751722_100000230001 [0,1,0,1,0,0|1,0,1]=4 9354 B11R1.756 CC1(CCCC1)OCCCO 7a_100000751722_100011215043 [0,1,0,1,0,0|1,0,1]=4 9355 B11R1.756 NC1(CCCC1)COCCO 34a_100000749328_100000211926 [0,1,0,1,0,0|1,0,1]=4 9356 B11R1.756 OCCNCC1(CCCC1)O 2230a_100000737848_100000211926 [0,1,0,1,0,0|1,0,1]=4 9357 B11R1.900 CC1(CCCCC1)NCCO 2230a_100000741114_100000211926 [0,1,0,1,0,0|1,0,1]=4 9358 B11R1.900 CC1(CCCCC1)NCCO 34a_100000741114_100000211926 [0,1,0,1,0,0|1,0,1]=4 9359 B11R1.900 CC1(CCCCC1)OCCO 34a_100011215885_100000211926 [0,1,0,1,0,0|1,0,1]=4 9360 B11R1.900 CC1(CCCCC1)OCCO 7a_100011215885_100000211926 [0,1,0,1,0,0|1,0,1]=4 9361 B11R1.1034 CCCCCC(=O)C1CC1C 1458a_100000211227_100000210326 [0,1,0,1,0,0|1,0,1]=4 9362 B11R1.1034 CCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210326 [0,1,0,1,0,0|1,0,1]=4 9363 B11R2.248 OCCN1CC2CCC1C2 2230a_100000743476_100000211926 [0,0,0,2,0,0|1,0,1]=4 9364 B11R2.248 OCCN1CC2CCC1C2 269982a_100000743476_100000211926 [0,0,0,2,0,0|1,0,1]=4 9365 B11R2.248 OCCN1CC2CCC1C2 34a_100000743476_100000211926 [0,0,0,2,0,0|1,0,1]=4 9366 B11R2.76 OCCN1C2CCC1CC2 2230a_100000735658_100000211926 [0,0,0,2,0,0|1,0,1]=4 9367 B11R2.76 OCCN1C2CCC1CC2 269982a_100000735658_100000211926 [0,0,0,2,0,0|1,0,1]=4 9368 B11R2.76 OCCN1C2CCC1CC2 34a_100000735658_100000211926 [0,0,0,2,0,0|1,0,1]=4 9369 B11R2.143 OCCN1CCCC12CC2 2230a_100020620911_100000211926 [0,0,0,2,0,0|1,0,1]=4 9370 B11R2.143 OCCN1CCCC12CC2 269982a_100020620911_100000211926 [0,0,0,2,0,0|1,0,1]=4 9371 B11R2.143 OCCN1CCCC12CC2 34a_100020620911_100000211926 [0,0,0,2,0,0|1,0,1]=4 9372 B11R2.216 CCC1C=CCN1C2CC2 269982a_100000730860_100000211595 [0,0,0,2,0,0|2,0,0]=4 9373 B11R2.216 CCC1C=CCN1C2CC2 34a_100000730860_100000211595 [0,0,0,2,0,0|2,0,0]=4 9374 B11R2.157 OCCCN1CC2CC2C1 2230a_100000741873_100000230001 [0,0,0,2,0,0|1,0,1]=4 9375 B11R2.157 OCCCN1CC2CC2C1 269982a_100000741873_100011215043 [0,0,0,2,0,0|1,0,1]=4 9376 B11R2.157 OCCCN1CC2CC2C1 34a_100000741873_100000230001 [0,0,0,2,0,0|1,0,1]=4 9377 B11R2.157 OCCNC1CC2CC2C1 270004a_100000210304_100010340937 [0,0,0,2,0,0|1,0,1]=4 9378 B11R2.238 C1=CC(CCC1)OC2CC2 34a_100011215024_100000211595 [0,0,0,2,0,0|2,0,0]=4 9379 B11R2.238 C1=CC(CCC1)SC2CC2 62a_100000751183_100000211595 [0,0,0,2,0,0|2,0,0]=4 9380 B11R2.239 C1=CC(CCC1)N2CCC2 269982a_100000754969_100000751183 [0,0,0,2,0,0|2,0,0]=4 9381 B11R2.927 OCCNC1CCC2C1C2 269862a_100000210304_100000692480 [0,0,0,2,0,0|1,0,1]=4 9382 B11R2.927 OCCNC1CCC2C1C2 270004a_100000210304_100000692480 [0,0,0,2,0,0|1,0,1]=4 9383 B11R2.927 OCCOC1CCC2C1C2 34a_200012295571_100000211926 [0,0,0,2,0,0|1,0,1]=4 9384 B11R2.385 C1CCC(C1)NCC2CO2 2230a_100000211070_100011216344 [0,0,0,2,0,0|1,0,1]=4 9385 B11R2.385 C1CCC(C1)NCC2CO2 34a_100000211070_102125554688 [0,0,0,2,0,0|1,0,1]=4 9386 B11R2.385 C1CCC(C1)OCC2CO2 34a_100000210269_102125554688 [0,0,0,2,0,0|1,0,1]=4 9387 B11R2.385 C1CCC(C1)OCC2CO2 7a_100000210269_102125554688 [0,0,0,2,0,0|1,0,1]=4 9388 B11R2.385 C1CCC(C1)OC[C@@H]2CO2 34a_100000757423_100000179811 [0,0,0,2,0,0|1,0,1]=4 9389 B11R2.385 C1CCC(C1)OC[C@@H]2CO2 7a_100000210269_100000745022 [0,0,0,2,0,0|1,0,1]=4 9390 B11R2.385 C1CCC(C1)SCC2CO2 62a_100011217020_102125554688 [0,0,0,2,0,0|1,0,1]=4 9391 B11R2.385 C1CCC(C1)SCC2CO2 62a_102125554688_100000179811 [0,0,0,2,0,0|1,0,1]=4 9392 B11R2.385 C1CCC(C1)SC[C@@H]2CO2 62a_100000745022_100000179811 [0,0,0,2,0,0|1,0,1]=4 9393 B11R2.385 C1CCC(C1)SC[C@@H]2CO2 62a_100011217020_100000745022 [0,0,0,2,0,0|1,0,1]=4 9394 B11R2.115 C[C@@H]1CCCN1CC2CO2 2230a_100015189458_100011216344 [0,0,0,2,0,0|1,0,1]=4 9395 B11R2.115 C[C@@H]1CCCN1CC2CO2 269982a_100015189458_102125554688 [0,0,0,2,0,0|1,0,1]=4 9396 B11R2.115 C[C@@H]1CCCN1CC2CO2 34a_100015189458_102125554688 [0,0,0,2,0,0|1,0,1]=4 9397 B11R2.115 C[C@@H]1CCCN1C[C@@H]2CO2 269982a_100015189458_100000745022 [0,0,0,2,0,0|1,0,1]=4 9398 B11R2.115 C[C@H]1CCCN1CC2CO2 2230a_100020605311_100011216344 [0,0,0,2,0,0|1,0,1]=4 9399 B11R2.115 C[C@H]1CCCN1CC2CO2 269982a_100020605311_102125554688 [0,0,0,2,0,0|1,0,1]=4 9400 B11R2.115 C[C@H]1CCCN1C[C@@H]2CO2 269982a_100020605311_100000745022 [0,0,0,2,0,0|1,0,1]=4 9401 B11R2.444 CC1CC1COCC2CO2 34a_100000744939_102125554688 [0,0,0,2,0,0|1,0,1]=4 9402 B11R2.444 CC1CC1COCC2CO2 7a_100000744939_102125554688 [0,0,0,2,0,0|1,0,1]=4 9403 B11R2.444 CC1CC1COC[C@@H]2CO2 7a_100000744939_100000745022 [0,0,0,2,0,0|1,0,1]=4 9404 B11R2.1039 C1CC(C1)CNCC2CO2 2230a_100000738700_100011216344 [0,0,0,2,0,0|1,0,1]=4 9405 B11R2.1039 C1CC(C1)CNCC2CO2 34a_100000738700_102125554688 [0,0,0,2,0,0|1,0,1]=4 9406 B11R2.1039 C1CC(C1)COCC2CO2 34a_100000760304_102125554688 [0,0,0,2,0,0|1,0,1]=4 9407 B11R2.1039 C1CC(C1)COC[C@@H]2CO2 34a_100000757423_100000763275 [0,0,0,2,0,0|1,0,1]=4 9408 B11R2.1039 C1CC(C1)CSCC2CO2 62a_100000763275_102125554688 [0,0,0,2,0,0|1,0,1]=4 9409 B11R2.1039 C1CC(C1)CSCC2CO2 62a_102125554688_100000763275 [0,0,0,2,0,0|1,0,1]=4 9410 B11R2.1039 C1CC(C1)CSC[C@@H]2CO2 62a_100000745022_100000763275 [0,0,0,2,0,0|1,0,1]=4 9411 B11R2.1039 C1CC(C1)CSC[C@@H]2CO2 62a_100000763275_100000745022 [0,0,0,2,0,0|1,0,1]=4 9412 B11R2.1034 C(CC1CC1)NCC2CO2 34a_100000764129_102125554688 [0,0,0,2,0,0|1,0,1]=4 9413 B11R2.1034 C(CC1CC1)OCC2CO2 34a_100000754188_102125554688 [0,0,0,2,0,0|1,0,1]=4 9414 B11R2.1034 C(CC1CC1)OCC2CO2 7a_100000754188_102125554688 [0,0,0,2,0,0|1,0,1]=4 9415 B11R2.1034 C(CC1CC1)OC[C@@H]2CO2 34a_100000757423_100000694398 [0,0,0,2,0,0|1,0,1]=4 9416 B11R2.1034 C(CC1CC1)OC[C@@H]2CO2 7a_100000754188_100000745022 [0,0,0,2,0,0|1,0,1]=4 9417 B11R2.1034 C(CC1CC1)SCC2CO2 62a_100000764125_102125554688 [0,0,0,2,0,0|1,0,1]=4 9418 B11R2.1034 C(CC1CC1)SCC2CO2 62a_102125554688_100000764125 [0,0,0,2,0,0|1,0,1]=4 9419 B11R2.1034 C(CC1CC1)SC[C@@H]2CO2 62a_100000745022_100000764125 [0,0,0,2,0,0|1,0,1]=4 9420 B11R2.1034 C(CC1CC1)SC[C@@H]2CO2 62a_100000764125_100000745022 [0,0,0,2,0,0|1,0,1]=4