0 B8R0.4 C#CCCCNCCO 2230a_100016997473_100000731252 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.4 C#CCCCNCCO 34a_100000718082_100000211926 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.4 C#CCCCNCCO 34a_100016990907_100000695029 [0,0,0,0,0,0|1,0,3]=4 3 B8R0.4 C#CCCCOCCO 34a_100000215630_100000211926 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.4 C#CCCCOCCO 7a_100000215630_100000211926 [0,0,0,0,0,0|1,0,3]=4 5 B8R0.4 C#CCCCSCCO 62a_100000211926_100011215417 [0,0,0,0,0,0|1,0,3]=4 6 B8R0.4 C#CCCCSCCO 62a_100011215417_100000211926 [0,0,0,0,0,0|1,0,3]=4 7 B8R0.4 C#CCNC/C=C\CC 34a_100000212058_100103147603 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.4 C#CCNCCCCC 2230a_100000209983_100000038162 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.4 C#CCNCCCCC 34a_100000212058_100000718602 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.4 C#CCOC/C=C\CC 34a_100000210247_100103147603 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.4 C#CCOC/C=C\CC 34a_100016268518_100000184674 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.4 C#CCSC/C=C\CC 62a_100000038162_100103147603 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [0,0,0,0,0,0|2,0,2]=4 17 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [0,0,0,0,0,0|1,0,3]=4 20 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [0,0,0,0,0,0|2,0,2]=4 23 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [0,0,0,0,0,0|2,0,2]=4 24 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [0,0,0,0,0,0|1,0,3]=4 27 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [0,0,0,0,0,0|1,0,3]=4 28 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [0,0,0,0,0,0|1,0,3]=4 29 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [0,0,0,0,0,0|1,0,3]=4 30 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [0,0,0,0,0,0|1,0,3]=4 31 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [0,0,0,0,0,0|1,0,3]=4 32 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [0,0,0,0,0,0|1,0,3]=4 33 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [0,0,0,0,0,0|1,0,3]=4 34 B8R0.4 C=CCNC/C=C\CC 2230a_100020586998_100103147603 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [0,0,0,0,0,0|2,0,2]=4 36 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [0,0,0,0,0,0|2,0,2]=4 37 B8R0.4 C=CCOC/C=C\CC 34a_100016268518_100015514636 [0,0,0,0,0,0|2,0,2]=4 38 B8R0.4 C=CCOC/C=C\CC 34a_200000210373_100103147603 [0,0,0,0,0,0|2,0,2]=4 39 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [0,0,0,0,0,0|2,0,2]=4 40 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [0,0,0,0,0,0|2,0,2]=4 41 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [0,0,0,0,0,0|2,0,2]=4 42 B8R0.4 C=CCSC/C=C\CC 62a_100000210623_100103147603 [0,0,0,0,0,0|2,0,2]=4 43 B8R0.4 C=CCSC/C=C\CC 62a_100103147603_100000210623 [0,0,0,0,0,0|2,0,2]=4 44 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [0,0,0,0,0,0|2,0,2]=4 45 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [0,0,0,0,0,0|2,0,2]=4 46 B8R0.4 CC#CCCOCCO 34a_100000750427_100000211926 [0,0,0,0,0,0|1,0,3]=4 47 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [0,0,0,0,0,0|2,0,0]=2 48 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [0,0,0,0,0,0|2,0,0]=2 49 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [0,0,0,0,0,0|2,0,0]=2 50 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [0,0,0,0,0,0|2,0,0]=2 51 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [0,0,0,0,0,0|2,0,0]=2 52 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [0,0,0,0,0,0|2,0,0]=2 53 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [0,0,0,0,0,0|2,0,0]=2 54 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [0,0,0,0,0,0|2,0,0]=2 55 B8R0.4 CC/C=C\CCOCF 34a_100016288707_100015361967 [0,0,0,0,0,0|3,0,0]=3 56 B8R0.4 CC/C=C\CCOCF 7a_100016288707_100015361967 [0,0,0,0,0,0|3,0,0]=3 57 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [0,0,0,0,0,0|2,0,0]=2 58 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [0,0,0,0,0,0|2,0,0]=2 59 B8R0.4 CC/C=C\CCSCF 62a_100015361967_100015370543 [0,0,0,0,0,0|3,0,0]=3 60 B8R0.4 CC/C=C\CCSCF 62a_100015370543_100015361967 [0,0,0,0,0,0|3,0,0]=3 61 B8R0.4 CC/C=C\CNCCF 34a_100000724931_100103147603 [0,0,0,0,0,0|3,0,0]=3 62 B8R0.4 CC/C=C\CNCCO 2230a_100016997473_100103147603 [0,0,0,0,0,0|3,0,0]=3 63 B8R0.4 CC/C=C\CNCCO 34a_100016990907_100103147603 [0,0,0,0,0,0|3,0,0]=3 64 B8R0.4 CC/C=C\COCC=O 34a_100016268518_200009817547 [0,0,0,0,0,0|3,0,1]=4 65 B8R0.4 CC/C=C\COCCBr 34a_100000211926_100103147603 [0,0,0,0,0,0|3,0,0]=3 66 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [0,0,0,0,0,0|2,0,0]=2 67 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [0,0,0,0,0,0|2,0,0]=2 68 B8R0.4 CC/C=C\COCCF 34a_100016268518_100011217306 [0,0,0,0,0,0|3,0,0]=3 69 B8R0.4 CC/C=C\COCCN 34a_100000210304_100103147603 [0,0,0,0,0,0|3,0,0]=3 70 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [0,0,0,0,0,0|3,0,0]=3 71 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [0,0,0,0,0,0|3,0,0]=3 72 B8R0.4 CC/C=C\CSCC#N 62a_100011215382_100103147603 [0,0,0,0,0,0|3,0,1]=4 73 B8R0.4 CC/C=C\CSCC#N 62a_100103147603_100011215382 [0,0,0,0,0,0|3,0,1]=4 74 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [0,0,0,0,0,0|3,0,1]=4 75 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [0,0,0,0,0,0|2,0,0]=2 77 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [0,0,0,0,0,0|2,0,0]=2 78 B8R0.4 CC/C=C\CSCCF 62a_100011217306_100103147603 [0,0,0,0,0,0|3,0,0]=3 79 B8R0.4 CC/C=C\CSCCF 62a_100103147603_100011217306 [0,0,0,0,0,0|3,0,0]=3 80 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [0,0,0,0,0,0|3,0,0]=3 81 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [0,0,0,0,0,0|3,0,0]=3 82 B8R0.4 CC/C=C\CSCOC 62a_100000766300_100103147603 [0,0,0,0,0,0|3,0,0]=3 83 B8R0.4 CC/C=C\CSCOC 62a_100103147603_100000766300 [0,0,0,0,0,0|3,0,0]=3 84 B8R0.4 CC/C=C\CSCSC 62a_100011218213_100103147603 [0,0,0,0,0,0|3,0,0]=3 85 B8R0.4 CC/C=C\CSCSC 62a_100103147603_100011218213 [0,0,0,0,0,0|3,0,0]=3 86 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [0,0,0,0,0,0|2,0,2]=4 87 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [0,0,0,0,0,0|2,0,2]=4 88 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [0,0,0,0,0,0|2,0,2]=4 89 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [0,0,0,0,0,0|2,0,2]=4 90 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [0,0,0,0,0,0|2,0,2]=4 91 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [0,0,0,0,0,0|2,0,2]=4 92 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [0,0,0,0,0,0|2,0,2]=4 93 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [0,0,0,0,0,0|2,0,2]=4 94 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [0,0,0,0,0,0|3,0,1]=4 95 B8R0.4 CCC#CCCOCC 34a_100000036655_100000210202 [0,0,0,0,0,0|2,0,2]=4 96 B8R0.4 CCC#CCCOCC 7a_100000036655_100000210202 [0,0,0,0,0,0|2,0,2]=4 97 B8R0.4 CCC#CCNCCO 2230a_100016997473_100009813939 [0,0,0,0,0,0|1,0,3]=4 98 B8R0.4 CCC#CCNCCO 34a_100016990907_100009813939 [0,0,0,0,0,0|1,0,3]=4 99 B8R0.4 CCC#CCOCCC 34a_100000032950_100000210303 [0,0,0,0,0,0|2,0,2]=4 100 B8R0.4 CCC#CCOCCC 34a_100000210258_100009813939 [0,0,0,0,0,0|2,0,2]=4 101 B8R0.4 CCC#CCOCCO 34a_100000032950_100000211926 [0,0,0,0,0,0|1,0,3]=4 102 B8R0.4 CCC#CCSCCC 62a_100000210303_100009813939 [0,0,0,0,0,0|2,0,2]=4 103 B8R0.4 CCC#CCSCCC 62a_100009813939_100000210303 [0,0,0,0,0,0|2,0,2]=4 104 B8R0.4 CCC#CCSCCO 62a_100000211926_100009813939 [0,0,0,0,0,0|1,0,3]=4 105 B8R0.4 CCC#CCSCCO 62a_100009813939_100000211926 [0,0,0,0,0,0|1,0,3]=4 106 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [0,0,0,0,0,0|2,0,2]=4 107 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [0,0,0,0,0,0|2,0,2]=4 108 B8R0.4 CCC=CC=NNCC 4a_100000756455_100011216943 [0,0,0,0,0,0|3,0,1]=4 109 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [0,0,0,0,0,0|3,0,0]=3 110 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [0,0,0,0,0,0|2,0,2]=4 111 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [0,0,0,0,0,0|2,0,2]=4 112 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [0,0,0,0,0,0|2,0,2]=4 113 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [0,0,0,0,0,0|2,0,2]=4 114 B8R0.4 CCCC=NNCCC 4a_100000740057_100000185831 [0,0,0,0,0,0|3,0,1]=4 115 B8R0.4 CCCC=NNCCO 4a_100000210001_100000185831 [0,0,0,0,0,0|2,0,2]=4 116 B8R0.4 CCCCC=NNCC 4a_100000756455_100000210104 [0,0,0,0,0,0|3,0,1]=4 117 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [0,0,0,0,0,0|2,0,2]=4 118 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [0,0,0,0,0,0|2,0,2]=4 119 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [0,0,0,0,0,0|2,0,2]=4 120 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [0,0,0,0,0,0|2,0,2]=4 121 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [0,0,0,0,0,0|2,0,2]=4 122 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [0,0,0,0,0,0|2,0,2]=4 123 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [0,0,0,0,0,0|2,0,2]=4 124 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [0,0,0,0,0,0|2,0,2]=4 125 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [0,0,0,0,0,0|2,0,2]=4 126 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [0,0,0,0,0,0|2,0,2]=4 127 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [0,0,0,0,0,0|2,0,2]=4 128 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [0,0,0,0,0,0|2,0,2]=4 129 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [0,0,0,0,0,0|2,0,2]=4 130 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [0,0,0,0,0,0|2,0,2]=4 131 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [0,0,0,0,0,0|2,0,1]=3 132 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [0,0,0,0,0,0|2,0,1]=3 133 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [0,0,0,0,0,0|2,0,1]=3 134 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [0,0,0,0,0,0|2,0,1]=3 135 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [0,0,0,0,0,0|2,0,1]=3 136 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [0,0,0,0,0,0|2,0,1]=3 137 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [0,0,0,0,0,0|2,0,1]=3 138 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [0,0,0,0,0,0|2,0,1]=3 139 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [0,0,0,0,0,0|2,0,1]=3 140 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [0,0,0,0,0,0|2,0,1]=3 141 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [0,0,0,0,0,0|2,0,1]=3 142 B8R0.4 CCCCCNCC#N 2230a_100000209983_100011215382 [0,0,0,0,0,0|2,0,2]=4 143 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [0,0,0,0,0,0|1,0,3]=4 144 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [0,0,0,0,0,0|2,0,1]=3 145 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [0,0,0,0,0,0|2,0,1]=3 146 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [0,0,0,0,0,0|2,0,1]=3 147 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [0,0,0,0,0,0|1,0,1]=2 148 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [0,0,0,0,0,0|1,0,1]=2 149 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [0,0,0,0,0,0|1,0,1]=2 150 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [0,0,0,0,0,0|3,0,1]=4 151 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [0,0,0,0,0,0|3,0,1]=4 152 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [0,0,0,0,0,0|2,0,2]=4 153 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [0,0,0,0,0,0|1,0,3]=4 154 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [0,0,0,0,0,0|1,0,3]=4 155 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [0,0,0,0,0,0|2,0,1]=3 156 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [0,0,0,0,0,0|2,0,1]=3 157 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [0,0,0,0,0,0|2,0,1]=3 158 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [0,0,0,0,0,0|2,0,1]=3 159 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [0,0,0,0,0,0|2,0,1]=3 160 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [0,0,0,0,0,0|2,0,1]=3 161 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [0,0,0,0,0,0|2,0,1]=3 162 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [0,0,0,0,0,0|1,0,1]=2 163 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [0,0,0,0,0,0|1,0,1]=2 164 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [0,0,0,0,0,0|3,0,1]=4 165 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [0,0,0,0,0,0|2,0,2]=4 166 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [0,0,0,0,0,0|2,0,2]=4 167 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [0,0,0,0,0,0|1,0,3]=4 168 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [0,0,0,0,0,0|1,0,3]=4 169 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [0,0,0,0,0,0|2,0,1]=3 170 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [0,0,0,0,0,0|2,0,1]=3 171 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [0,0,0,0,0,0|2,0,1]=3 172 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [0,0,0,0,0,0|2,0,1]=3 173 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [0,0,0,0,0,0|1,0,1]=2 174 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [0,0,0,0,0,0|1,0,1]=2 175 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [0,0,0,0,0,0|3,0,1]=4 176 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [0,0,0,0,0,0|3,0,1]=4 177 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [0,0,0,0,0,0|3,0,1]=4 178 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [0,0,0,0,0,0|3,0,1]=4 179 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [0,0,0,0,0,0|2,0,2]=4 180 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [0,0,0,0,0,0|2,0,2]=4 181 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [0,0,0,0,0,0|2,0,2]=4 182 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [0,0,0,0,0,0|2,0,2]=4 183 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [0,0,0,0,0,0|2,0,2]=4 184 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [0,0,0,0,0,0|2,0,2]=4 185 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [0,0,0,0,0,0|1,0,2]=3 186 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [0,0,0,0,0,0|1,0,2]=3 187 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [0,0,0,0,0,0|2,0,2]=4 188 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [0,0,0,0,0,0|2,0,2]=4 189 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [0,0,0,0,0,0|2,0,2]=4 190 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [0,0,0,0,0,0|2,0,2]=4 191 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [0,0,0,0,0,0|2,0,2]=4 192 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [0,0,0,0,0,0|2,0,2]=4 193 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [0,0,0,0,0,0|2,0,2]=4 194 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [0,0,0,0,0,0|2,0,2]=4 195 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [0,0,0,0,0,0|1,0,2]=3 196 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [0,0,0,0,0,0|1,0,2]=3 197 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [0,0,0,0,0,0|3,0,1]=4 198 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [0,0,0,0,0,0|3,0,1]=4 199 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [0,0,0,0,0,0|3,0,1]=4 200 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [0,0,0,0,0,0|3,0,1]=4 201 B8R0.4 CCCCOCSCF 62a_100011995733_100015361967 [0,0,0,0,0,0|3,0,1]=4 202 B8R0.4 CCCCOCSCF 62a_100015361967_100011995733 [0,0,0,0,0,0|3,0,1]=4 203 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [0,0,0,0,0,0|2,0,2]=4 204 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [0,0,0,0,0,0|2,0,2]=4 205 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [0,0,0,0,0,0|2,0,2]=4 206 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [0,0,0,0,0,0|1,0,2]=3 207 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [0,0,0,0,0,0|1,0,2]=3 208 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [0,0,0,0,0,0|3,0,1]=4 209 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [0,0,0,0,0,0|3,0,1]=4 210 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [0,0,0,0,0,0|1,0,2]=3 211 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [0,0,0,0,0,0|1,0,2]=3 212 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [0,0,0,0,0,0|3,0,1]=4 213 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [0,0,0,0,0,0|3,0,1]=4 214 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [0,0,0,0,0,0|3,0,1]=4 215 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [0,0,0,0,0,0|3,0,1]=4 216 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [0,0,0,0,0,0|3,0,1]=4 217 B8R0.4 CCCOCC#CCCl 34a_200000047223_100000210303 [0,0,0,0,0,0|2,0,2]=4 218 B8R0.4 CCCOCC#CCO 34a_100000210258_200000047223 [0,0,0,0,0,0|1,0,2]=3 219 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [0,0,0,0,0,0|2,0,2]=4 220 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [0,0,0,0,0,0|2,0,2]=4 221 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [0,0,0,0,0,0|2,0,2]=4 222 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [0,0,0,0,0,0|2,0,2]=4 223 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [0,0,0,0,0,0|2,0,2]=4 224 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [0,0,0,0,0,0|2,0,2]=4 225 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [0,0,0,0,0,0|2,0,2]=4 226 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [0,0,0,0,0,0|2,0,2]=4 227 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [0,0,0,0,0,0|1,0,2]=3 228 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [0,0,0,0,0,0|3,0,1]=4 229 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [0,0,0,0,0,0|3,0,1]=4 230 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [0,0,0,0,0,0|3,0,1]=4 231 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [0,0,0,0,0,0|3,0,1]=4 232 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [0,0,0,0,0,0|3,0,1]=4 233 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [0,0,0,0,0,0|3,0,1]=4 234 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [0,0,0,0,0,0|3,0,1]=4 235 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [0,0,0,0,0,0|3,0,1]=4 236 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [0,0,0,0,0,0|3,0,1]=4 237 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [0,0,0,0,0,0|3,0,1]=4 238 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [0,0,0,0,0,0|3,0,1]=4 239 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [0,0,0,0,0,0|3,0,1]=4 240 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [0,0,0,0,0,0|3,0,1]=4 241 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [0,0,0,0,0,0|3,0,1]=4 242 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [0,0,0,0,0,0|3,0,1]=4 243 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [0,0,0,0,0,0|3,0,1]=4 244 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [0,0,0,0,0,0|3,0,1]=4 245 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [0,0,0,0,0,0|3,0,1]=4 246 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [0,0,0,0,0,0|3,0,1]=4 247 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [0,0,0,0,0,0|3,0,1]=4 248 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [0,0,0,0,0,0|3,0,1]=4 249 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [0,0,0,0,0,0|3,0,1]=4 250 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [0,0,0,0,0,0|3,0,1]=4 251 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [0,0,0,0,0,0|3,0,1]=4 252 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [0,0,0,0,0,0|3,0,1]=4 253 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [0,0,0,0,0,0|3,0,1]=4 254 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [0,0,0,0,0,0|3,0,1]=4 255 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [0,0,0,0,0,0|3,0,1]=4 256 B8R0.4 CCCSCC#CCO 62a_100000210303_200000047223 [0,0,0,0,0,0|1,0,2]=3 257 B8R0.4 CCCSCC#CCO 62a_200000047223_100000210303 [0,0,0,0,0,0|1,0,2]=3 258 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [0,0,0,0,0,0|2,0,2]=4 259 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [0,0,0,0,0,0|2,0,2]=4 260 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [0,0,0,0,0,0|1,0,2]=3 261 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [0,0,0,0,0,0|1,0,2]=3 262 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [0,0,0,0,0,0|3,0,1]=4 263 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [0,0,0,0,0,0|3,0,1]=4 264 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [0,0,0,0,0,0|3,0,1]=4 265 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [0,0,0,0,0,0|3,0,1]=4 266 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [0,0,0,0,0,0|3,0,1]=4 267 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [0,0,0,0,0,0|3,0,1]=4 268 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [0,0,0,0,0,0|3,0,1]=4 269 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [0,0,0,0,0,0|3,0,1]=4 270 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [0,0,0,0,0,0|3,0,1]=4 271 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [0,0,0,0,0,0|3,0,1]=4 272 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [0,0,0,0,0,0|3,0,1]=4 273 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [0,0,0,0,0,0|2,0,2]=4 274 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [0,0,0,0,0,0|1,0,2]=3 275 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [0,0,0,0,0,0|1,0,2]=3 276 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [0,0,0,0,0,0|1,0,2]=3 277 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [0,0,0,0,0,0|3,0,1]=4 278 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [0,0,0,0,0,0|3,0,1]=4 279 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [0,0,0,0,0,0|3,0,1]=4 280 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [0,0,0,0,0,0|3,0,1]=4 281 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [0,0,0,0,0,0|2,0,1]=3 282 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [0,0,0,0,0,0|2,0,1]=3 283 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [0,0,0,0,0,0|2,0,1]=3 284 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [0,0,0,0,0,0|2,0,1]=3 285 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [0,0,0,0,0,0|2,0,2]=4 286 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [0,0,0,0,0,0|2,0,2]=4 287 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [0,0,0,0,0,0|2,0,2]=4 288 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [0,0,0,0,0,0|2,0,2]=4 289 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [0,0,0,0,0,0|2,0,2]=4 290 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [0,0,0,0,0,0|2,0,2]=4 291 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [0,0,0,0,0,0|2,0,2]=4 292 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [0,0,0,0,0,0|2,0,2]=4 293 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [0,0,0,0,0,0|1,0,2]=3 294 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [0,0,0,0,0,0|3,0,1]=4 295 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [0,0,0,0,0,0|3,0,1]=4 296 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [0,0,0,0,0,0|3,0,1]=4 297 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [0,0,0,0,0,0|3,0,1]=4 298 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [0,0,0,0,0,0|3,0,1]=4 299 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [0,0,0,0,0,0|3,0,1]=4 300 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [0,0,0,0,0,0|3,0,1]=4 301 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [0,0,0,0,0,0|3,0,1]=4 302 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [0,0,0,0,0,0|3,0,1]=4 303 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [0,0,0,0,0,0|3,0,1]=4 304 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [0,0,0,0,0,0|3,0,1]=4 305 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [0,0,0,0,0,0|3,0,1]=4 306 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [0,0,0,0,0,0|3,0,1]=4 307 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [0,0,0,0,0,0|3,0,1]=4 308 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [0,0,0,0,0,0|3,0,1]=4 309 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [0,0,0,0,0,0|3,0,1]=4 310 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [0,0,0,0,0,0|3,0,1]=4 311 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [0,0,0,0,0,0|3,0,1]=4 312 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [0,0,0,0,0,0|3,0,1]=4 313 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [0,0,0,0,0,0|2,0,1]=3 314 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [0,0,0,0,0,0|2,0,1]=3 315 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [0,0,0,0,0,0|2,0,1]=3 316 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [0,0,0,0,0,0|2,0,1]=3 317 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [0,0,0,0,0,0|3,0,1]=4 318 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [0,0,0,0,0,0|3,0,1]=4 319 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [0,0,0,0,0,0|3,0,1]=4 320 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [0,0,0,0,0,0|3,0,1]=4 321 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [0,0,0,0,0,0|3,0,1]=4 322 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [0,0,0,0,0,0|3,0,1]=4 323 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [0,0,0,0,0,0|3,0,1]=4 324 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [0,0,0,0,0,0|3,0,1]=4 325 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [0,0,0,0,0,0|3,0,1]=4 326 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [0,0,0,0,0,0|3,0,1]=4 327 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [0,0,0,0,0,0|3,0,1]=4 328 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [0,0,0,0,0,0|3,0,1]=4 329 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [0,0,0,0,0,0|3,0,1]=4 330 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [0,0,0,0,0,0|2,0,1]=3 331 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [0,0,0,0,0,0|2,0,1]=3 332 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [0,0,0,0,0,0|2,0,1]=3 333 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [0,0,0,0,0,0|3,0,1]=4 334 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [0,0,0,0,0,0|3,0,1]=4 335 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [0,0,0,0,0,0|2,0,1]=3 336 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [0,0,0,0,0,0|2,0,1]=3 337 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [0,0,0,0,0,0|2,0,2]=4 338 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [0,0,0,0,0,0|2,0,2]=4 339 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [0,0,0,0,0,0|2,0,2]=4 340 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [0,0,0,0,0,0|2,0,2]=4 341 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [0,0,0,0,0,0|1,0,2]=3 342 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [0,0,0,0,0,0|1,0,2]=3 343 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [0,0,0,0,0,0|3,0,1]=4 344 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [0,0,0,0,0,0|3,0,1]=4 345 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [0,0,0,0,0,0|3,0,1]=4 346 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [0,0,0,0,0,0|3,0,1]=4 347 B8R0.4 CCSCCNCCF 2230a_100000106463_100011217306 [0,0,0,0,0,0|3,0,1]=4 348 B8R0.4 CCSCCNCCF 34a_100000724931_100000757381 [0,0,0,0,0,0|3,0,1]=4 349 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [0,0,0,0,0,0|2,0,1]=3 350 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [0,0,0,0,0,0|2,0,1]=3 351 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [0,0,0,0,0,0|2,0,1]=3 352 B8R0.4 CCSCCOCCBr 34a_100000211926_100000757381 [0,0,0,0,0,0|3,0,1]=4 353 B8R0.4 CCSCCOCCF 34a_100000212035_100011217306 [0,0,0,0,0,0|3,0,1]=4 354 B8R0.4 CCSCCOCCF 7a_100000212035_100011217306 [0,0,0,0,0,0|3,0,1]=4 355 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [0,0,0,0,0,0|3,0,1]=4 356 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [0,0,0,0,0,0|2,0,1]=3 357 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [0,0,0,0,0,0|2,0,1]=3 358 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [0,0,0,0,0,0|2,0,1]=3 359 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [0,0,0,0,0,0|2,0,1]=3 360 B8R0.4 CCSCCSCCF 62a_100000757381_100011217306 [0,0,0,0,0,0|3,0,1]=4 361 B8R0.4 CCSCCSCCF 62a_100011217306_100000757381 [0,0,0,0,0,0|3,0,1]=4 362 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [0,0,0,0,0,0|2,0,1]=3 363 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [0,0,0,0,0,0|2,0,1]=3 364 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [0,0,0,0,0,0|2,0,2]=4 365 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [0,0,0,0,0,0|2,0,2]=4 366 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [0,0,0,0,0,0|2,0,2]=4 367 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [0,0,0,0,0,0|1,0,2]=3 368 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [0,0,0,0,0,0|1,0,2]=3 369 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [0,0,0,0,0,0|1,0,2]=3 370 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [0,0,0,0,0,0|1,0,2]=3 371 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [0,0,0,0,0,0|1,0,2]=3 372 B8R0.4 CNCCCOCCF 34a_100000213112_100011217306 [0,0,0,0,0,0|3,0,1]=4 373 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [0,0,0,0,0,0|2,0,1]=3 374 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [0,0,0,0,0,0|2,0,2]=4 375 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [0,0,0,0,0,0|2,0,2]=4 376 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [0,0,0,0,0,0|2,0,2]=4 377 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [0,0,0,0,0,0|2,0,2]=4 378 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [0,0,0,0,0,0|2,0,2]=4 379 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [0,0,0,0,0,0|2,0,2]=4 380 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [0,0,0,0,0,0|2,0,2]=4 381 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [0,0,0,0,0,0|2,0,2]=4 382 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [0,0,0,0,0,0|1,0,2]=3 383 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [0,0,0,0,0,0|3,0,1]=4 384 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [0,0,0,0,0,0|3,0,1]=4 385 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [0,0,0,0,0,0|3,0,1]=4 386 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [0,0,0,0,0,0|3,0,1]=4 387 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [0,0,0,0,0,0|3,0,1]=4 388 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [0,0,0,0,0,0|2,0,1]=3 389 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [0,0,0,0,0,0|2,0,1]=3 390 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [0,0,0,0,0,0|2,0,1]=3 391 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [0,0,0,0,0,0|3,0,1]=4 392 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [0,0,0,0,0,0|3,0,1]=4 393 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [0,0,0,0,0,0|3,0,1]=4 394 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [0,0,0,0,0,0|2,0,1]=3 395 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [0,0,0,0,0,0|3,0,1]=4 396 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [0,0,0,0,0,0|3,0,1]=4 397 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [0,0,0,0,0,0|2,0,1]=3 398 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [0,0,0,0,0,0|2,0,1]=3 399 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [0,0,0,0,0,0|2,0,2]=4 400 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [0,0,0,0,0,0|2,0,2]=4 401 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [0,0,0,0,0,0|2,0,2]=4 402 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [0,0,0,0,0,0|2,0,2]=4 403 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [0,0,0,0,0,0|2,0,2]=4 404 B8R0.4 COCSCC#CCO 62a_100000766300_200000047223 [0,0,0,0,0,0|2,0,2]=4 405 B8R0.4 COCSCC#CCO 62a_200000047223_100000766300 [0,0,0,0,0,0|2,0,2]=4 406 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [0,0,0,0,0,0|2,0,2]=4 407 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [0,0,0,0,0,0|2,0,2]=4 408 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [0,0,0,0,0,0|2,0,2]=4 409 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [0,0,0,0,0,0|2,0,2]=4 410 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [0,0,0,0,0,0|1,0,2]=3 411 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [0,0,0,0,0,0|1,0,2]=3 412 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [0,0,0,0,0,0|3,0,1]=4 413 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [0,0,0,0,0,0|3,0,1]=4 414 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [0,0,0,0,0,0|3,0,1]=4 415 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [0,0,0,0,0,0|2,0,1]=3 416 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [0,0,0,0,0,0|3,0,1]=4 417 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [0,0,0,0,0,0|3,0,1]=4 418 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [0,0,0,0,0,0|2,0,1]=3 419 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [0,0,0,0,0,0|2,0,1]=3 420 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [0,0,0,0,0,0|2,0,2]=4 421 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [0,0,0,0,0,0|2,0,2]=4 422 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [0,0,0,0,0,0|2,0,2]=4 423 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [0,0,0,0,0,0|2,0,2]=4 424 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [0,0,0,0,0,0|2,0,2]=4 425 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [0,0,0,0,0,0|2,0,2]=4 426 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [0,0,0,0,0,0|2,0,2]=4 427 B8R0.4 CSCSCC#CCO 62a_100011218213_200000047223 [0,0,0,0,0,0|2,0,2]=4 428 B8R0.4 CSCSCC#CCO 62a_200000047223_100011218213 [0,0,0,0,0,0|2,0,2]=4 429 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [0,0,0,0,0,0|2,0,2]=4 430 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [0,0,0,0,0,0|2,0,2]=4 431 B8R0.4 FCCCCCSCF 62a_100000729378_100015361967 [0,0,0,0,0,0|3,0,1]=4 432 B8R0.4 FCCCCCSCF 62a_100015361967_100000729378 [0,0,0,0,0,0|3,0,1]=4 433 B8R0.4 FCCCCNCCF 34a_100000724931_100000729493 [0,0,0,0,0,0|3,0,1]=4 434 B8R0.4 FCCCCOCCBr 34a_100000211926_100000729493 [0,0,0,0,0,0|3,0,1]=4 435 B8R0.4 FCCCCOCCF 34a_100011995726_100011217306 [0,0,0,0,0,0|3,0,1]=4 436 B8R0.4 FCCCCOCCF 7a_100011995726_100011217306 [0,0,0,0,0,0|3,0,1]=4 437 B8R0.4 FCCCCSCCF 62a_100000729493_100011217306 [0,0,0,0,0,0|3,0,1]=4 438 B8R0.4 FCCCCSCCF 62a_100011217306_100000729493 [0,0,0,0,0,0|3,0,1]=4 439 B8R0.4 FCCOCCCCBr 34a_100011216708_100011217306 [0,0,0,0,0,0|3,0,1]=4 440 B8R0.4 FCCOCCCCCl 34a_100000210776_100011217306 [0,0,0,0,0,0|3,0,1]=4 441 B8R0.4 FCCOCCCCCl 7a_100000210776_100011217306 [0,0,0,0,0,0|3,0,1]=4 442 B8R0.4 FCCOCCCCI 34a_200012148704_100011217306 [0,0,0,0,0,0|3,0,1]=4 443 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [0,0,0,0,0,0|3,0,1]=4 444 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [0,0,0,0,0,0|3,0,1]=4 445 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [0,0,0,0,0,0|3,0,1]=4 446 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [0,0,0,0,0,0|3,0,1]=4 447 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [0,0,0,0,0,0|3,0,1]=4 448 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [0,0,0,0,0,0|3,0,1]=4 449 B8R0.4 N#CCCCNCCO 2230a_100016997473_100000687738 [0,0,0,0,0,0|2,0,2]=4 450 B8R0.4 N#CCCCSCCO 62a_100000211926_100000687738 [0,0,0,0,0,0|2,0,2]=4 451 B8R0.4 N#CCCCSCCO 62a_100000687738_100000211926 [0,0,0,0,0,0|2,0,2]=4 452 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [0,0,0,0,0,0|3,0,1]=4 453 B8R0.4 NCCCCOCCF 34a_100000750430_100011217306 [0,0,0,0,0,0|3,0,1]=4 454 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [0,0,0,0,0,0|2,0,1]=3 455 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [0,0,0,0,0,0|2,0,2]=4 456 B8R0.4 NCCOCC#CCO 34a_100000210304_200000047223 [0,0,0,0,0,0|2,0,2]=4 457 B8R0.4 NCCOCCCCF 34a_100000210304_100000729493 [0,0,0,0,0,0|3,0,1]=4 458 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [0,0,0,0,0,0|2,0,2]=4 459 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [0,0,0,0,0,0|2,0,2]=4 460 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [0,0,0,0,0,0|2,0,2]=4 461 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [0,0,0,0,0,0|2,0,2]=4 462 B8R0.4 OCC#CCNCCF 34a_100000724931_200000047223 [0,0,0,0,0,0|2,0,2]=4 463 B8R0.4 OCC#CCNCCO 2230a_100016997473_200000047223 [0,0,0,0,0,0|2,0,2]=4 464 B8R0.4 OCC#CCNCCO 34a_100016990907_200000047223 [0,0,0,0,0,0|2,0,2]=4 465 B8R0.4 OCC#CCOCCBr 34a_100000211926_200000047223 [0,0,0,0,0,0|2,0,2]=4 466 B8R0.4 OCC#CCSCCF 62a_100011217306_200000047223 [0,0,0,0,0,0|2,0,2]=4 467 B8R0.4 OCC#CCSCCF 62a_200000047223_100011217306 [0,0,0,0,0,0|2,0,2]=4 468 B8R0.4 OCC#CCSCCO 62a_100000211926_200000047223 [0,0,0,0,0,0|2,0,2]=4 469 B8R0.4 OCC#CCSCCO 62a_200000047223_100000211926 [0,0,0,0,0,0|2,0,2]=4 470 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [0,0,0,0,0,0|2,0,2]=4 471 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [0,0,0,0,0,0|2,0,2]=4 472 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [0,0,0,0,0,0|2,0,2]=4 473 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [0,0,0,0,0,0|2,0,2]=4 474 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [0,0,0,0,0,0|2,0,2]=4 475 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [0,0,0,0,0,0|2,0,2]=4 476 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [0,0,0,0,0,0|2,0,1]=3 477 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [0,0,0,0,0,0|2,0,1]=3 478 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [0,0,0,0,0,0|2,0,1]=3 479 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [0,0,0,0,0,0|2,0,1]=3 480 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [0,0,0,0,0,0|2,0,2]=4 481 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [0,0,0,0,0,0|2,0,2]=4 482 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [0,0,0,0,0,0|2,0,2]=4 483 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [0,0,0,0,0,0|2,0,1]=3 484 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [0,0,0,0,0,0|2,0,1]=3 485 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [0,0,0,0,0,0|2,0,2]=4 486 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [0,0,0,0,0,0|2,0,2]=4 487 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [0,0,0,0,0,0|2,0,2]=4 488 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [0,0,0,0,0,0|2,0,2]=4 489 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [0,0,0,0,0,0|2,0,2]=4 490 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [0,0,0,0,0,0|2,0,2]=4 491 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [0,0,0,0,0,0|2,0,2]=4 492 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [0,0,0,0,0,0|2,0,2]=4 493 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [0,0,0,0,0,0|2,0,1]=3 494 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [0,0,0,0,0,0|2,0,1]=3 495 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [0,0,0,0,0,0|2,0,1]=3 496 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [0,0,0,0,0,0|2,0,1]=3 497 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [0,0,0,0,0,0|2,0,1]=3 498 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [0,0,0,0,0,0|2,0,1]=3 499 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [0,0,0,0,0,0|2,0,1]=3 500 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [0,0,0,0,0,0|2,0,1]=3 501 B8R0.4 OCCOCCNCF 34a_100000211614_100015361967 [0,0,0,0,0,0|3,0,1]=4 502 B8R0.4 OCCOCCSCF 62a_100011215305_100015361967 [0,0,0,0,0,0|3,0,1]=4 503 B8R0.4 OCCOCCSCF 62a_100015361967_100011215305 [0,0,0,0,0,0|3,0,1]=4 504 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [0,0,0,0,0,0|2,0,1]=3 505 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [0,0,0,0,0,0|2,0,1]=3 506 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [0,0,0,0,0,0|1,0,2]=3 507 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [0,0,0,0,0,0|1,0,2]=3 508 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [0,0,0,0,0,0|2,0,2]=4 509 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [0,0,0,0,0,0|2,0,2]=4 510 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [0,0,0,0,0,0|2,0,2]=4 511 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [0,0,0,0,0,0|2,0,2]=4 512 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [0,0,0,0,0,0|2,0,2]=4 513 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [0,0,0,0,0,0|2,0,2]=4 514 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [0,0,0,0,0,0|2,0,2]=4 515 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [0,0,0,0,0,0|2,0,2]=4 516 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [0,0,0,0,0,0|2,0,2]=4 517 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [0,0,0,0,0,0|1,0,2]=3 518 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [0,0,0,0,0,0|1,0,2]=3 519 B7R0.1 C#CCNC/C=C/C 34a_100000212058_100102629194 [1,0,0,0,0,0|1,0,2]=4 520 B7R0.1 C#CCNCC=CC 34a_100000212058_100000070051 [1,0,0,0,0,0|1,0,2]=4 521 B7R0.1 C#CCOC/C=C/C 34a_100000210247_100102629194 [1,0,0,0,0,0|1,0,2]=4 522 B7R0.1 C#CCOC/C=C/C 34a_100016270725_100000184674 [1,0,0,0,0,0|1,0,2]=4 523 B7R0.1 C#CCOCC=CC 34a_100000210247_100000070051 [1,0,0,0,0,0|1,0,2]=4 524 B7R0.1 C#CCSC/C=C/C 62a_100000038162_100102629194 [1,0,0,0,0,0|1,0,2]=4 525 B7R0.1 C#CCSCC=CC 62a_100000038162_100000070051 [1,0,0,0,0,0|1,0,2]=4 526 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [1,0,0,0,0,0|1,0,2]=4 527 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [1,0,0,0,0,0|1,0,2]=4 528 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,0,0,0,0,0|1,0,0]=2 529 B7R0.1 C/C=C/CCOCF 34a_100016278192_100015361967 [1,0,0,0,0,0|2,0,0]=3 530 B7R0.1 C/C=C/CNCCF 34a_100000724931_100102629194 [1,0,0,0,0,0|2,0,0]=3 531 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [1,0,0,0,0,0|2,0,0]=3 532 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [1,0,0,0,0,0|2,0,1]=4 533 B7R0.1 C/C=C/COCCBr 34a_100000211926_100102629194 [1,0,0,0,0,0|2,0,0]=3 534 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,0,0,0,0,0|1,0,0]=2 535 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,0,0,0,0,0|1,0,0]=2 536 B7R0.1 C/C=C/COCCF 34a_100016270725_100011217306 [1,0,0,0,0,0|2,0,0]=3 537 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [1,0,0,0,0,0|2,0,0]=3 538 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [1,0,0,0,0,0|2,0,0]=3 539 B7R0.1 C/C=C/COCSC 34a_100016270725_100011218213 [1,0,0,0,0,0|2,0,0]=3 540 B7R0.1 C/C=C/CSCC#N 62a_100011215382_100102629194 [1,0,0,0,0,0|2,0,1]=4 541 B7R0.1 C/C=C/CSCC#N 62a_100102629194_100011215382 [1,0,0,0,0,0|2,0,1]=4 542 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [1,0,0,0,0,0|2,0,1]=4 543 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [1,0,0,0,0,0|2,0,1]=4 544 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,0,0,0,0,0|1,0,0]=2 545 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,0,0,0,0,0|1,0,0]=2 546 B7R0.1 C/C=C/CSCCF 62a_100011217306_100102629194 [1,0,0,0,0,0|2,0,0]=3 547 B7R0.1 C/C=C/CSCCF 62a_100102629194_100011217306 [1,0,0,0,0,0|2,0,0]=3 548 B7R0.1 C/C=C/CSCCO 62a_100000211926_100102629194 [1,0,0,0,0,0|2,0,0]=3 549 B7R0.1 C/C=C/CSCCO 62a_100102629194_100000211926 [1,0,0,0,0,0|2,0,0]=3 550 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [1,0,0,0,0,0|2,0,0]=3 551 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [1,0,0,0,0,0|2,0,0]=3 552 B7R0.1 C/C=C/CSCSC 62a_100011218213_100102629194 [1,0,0,0,0,0|2,0,0]=3 553 B7R0.1 C/C=C/CSCSC 62a_100102629194_100011218213 [1,0,0,0,0,0|2,0,0]=3 554 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,0,0,0,0,0|1,0,2]=4 555 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,0,0,0,0,0|1,0,2]=4 556 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,0,0,0,0,0|1,0,2]=4 557 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,0,0,0,0,0|1,0,2]=4 558 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,0,0,0,0,0|1,0,2]=4 559 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,0,0,0,0,0|1,0,2]=4 560 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,0,0,0,0,0|1,0,2]=4 561 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,0,0,0,0|1,0,2]=4 562 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,0,0,0,0|1,0,2]=4 563 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,0,0,0,0|1,0,2]=4 564 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,0,0,0,0|1,0,2]=4 565 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,0,0,0,0|1,0,2]=4 566 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,0,0,0,0,0|1,0,2]=4 567 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,0,0,0,0,0|1,0,2]=4 568 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,0,0,0,0,0|1,0,2]=4 569 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,0,0,0,0,0|1,0,2]=4 570 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,0,0,0,0,0|1,0,2]=4 571 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,0,0,0,0,0|1,0,2]=4 572 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,0,0,0,0,0|1,0,2]=4 573 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,0,0,0,0,0|1,0,2]=4 574 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,0,0,0,0,0|1,0,2]=4 575 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,0,0,0,0,0|1,0,2]=4 576 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,0,0,0,0,0|1,0,2]=4 577 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,0,0,0,0,0|1,0,2]=4 578 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,0,0,0,0,0|1,0,2]=4 579 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,0,0,0,0,0|1,0,2]=4 580 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,0,0,0,0,0|1,0,2]=4 581 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,0,0,0,0,0|1,0,2]=4 582 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,0,0,0,0,0|1,0,2]=4 583 B7R0.1 C=CCNCC=CC 2230a_100020586998_100000070051 [1,0,0,0,0,0|1,0,2]=4 584 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,0,0,0,0,0|1,0,2]=4 585 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,0,0,0,0,0|1,0,2]=4 586 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,0,0,0,0,0|1,0,2]=4 587 B7R0.1 C=CCOC/C=C/C 34a_100016270725_100015514636 [1,0,0,0,0,0|1,0,2]=4 588 B7R0.1 C=CCOC/C=C/C 34a_200000210373_100102629194 [1,0,0,0,0,0|1,0,2]=4 589 B7R0.1 C=CCOCC=CC 34a_200000210373_100000070051 [1,0,0,0,0,0|1,0,2]=4 590 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,0,0,0,0|1,0,2]=4 591 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,0,0,0,0|1,0,2]=4 592 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,0,0,0,0|1,0,2]=4 593 B7R0.1 C=CCSC/C=C/C 62a_100000210623_100102629194 [1,0,0,0,0,0|1,0,2]=4 594 B7R0.1 C=CCSC/C=C/C 62a_100102629194_100000210623 [1,0,0,0,0,0|1,0,2]=4 595 B7R0.1 C=CCSCC=CC 62a_100000070051_100000210623 [1,0,0,0,0,0|1,0,2]=4 596 B7R0.1 C=CCSCC=CC 62a_100000210623_100000070051 [1,0,0,0,0,0|1,0,2]=4 597 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,0,0,0,0,0|1,0,2]=4 598 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,0,0,0,0,0|1,0,2]=4 599 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [1,0,0,0,0,0|2,0,1]=4 600 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [1,0,0,0,0,0|2,0,1]=4 601 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [1,0,0,0,0,0|2,0,1]=4 602 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [1,0,0,0,0,0|2,0,1]=4 603 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [1,0,0,0,0,0|2,0,1]=4 604 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [1,0,0,0,0,0|2,0,1]=4 605 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [1,0,0,0,0,0|2,0,1]=4 606 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [1,0,0,0,0,0|2,0,1]=4 607 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [1,0,0,0,0,0|2,0,1]=4 608 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [1,0,0,0,0,0|1,0,2]=4 609 B7R0.1 CC#CCNCCC 2230a_100000685387_100000210303 [1,0,0,0,0,0|1,0,2]=4 610 B7R0.1 CC#CCNCCC 34a_100000685387_100000210303 [1,0,0,0,0,0|1,0,2]=4 611 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [1,0,0,0,0,0|1,0,2]=4 612 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [1,0,0,0,0,0|1,0,2]=4 613 B7R0.1 CC#CCSCCC 62a_100000210303_100000748600 [1,0,0,0,0,0|1,0,2]=4 614 B7R0.1 CC#CCSCCC 62a_100000748600_100000210303 [1,0,0,0,0,0|1,0,2]=4 615 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [1,0,0,0,0,0|2,0,0]=3 616 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [1,0,0,0,0,0|2,0,0]=3 617 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [1,0,0,0,0,0|2,0,0]=3 618 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [1,0,0,0,0,0|2,0,0]=3 619 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [1,0,0,0,0,0|2,0,0]=3 620 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [1,0,0,0,0,0|2,0,0]=3 621 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [1,0,0,0,0,0|2,0,0]=3 622 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [1,0,0,0,0,0|2,0,0]=3 623 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [1,0,0,0,0,0|2,0,0]=3 624 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [1,0,0,0,0,0|2,0,0]=3 625 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [1,0,0,0,0,0|2,0,0]=3 626 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [1,0,0,0,0,0|2,0,0]=3 627 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [1,0,0,0,0,0|2,0,0]=3 628 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [1,0,0,0,0,0|2,0,0]=3 629 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [1,0,0,0,0,0|2,0,0]=3 630 B7R0.1 CC/C=C\COCF 34a_100016268518_100015361967 [1,0,0,0,0,0|3,0,0]=4 631 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [1,0,0,0,0,0|2,0,0]=3 632 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [1,0,0,0,0,0|2,0,0]=3 633 B7R0.1 CC/C=C\CSCF 62a_100015361967_100103147603 [1,0,0,0,0,0|3,0,0]=4 634 B7R0.1 CC/C=C\CSCF 62a_100103147603_100015361967 [1,0,0,0,0,0|3,0,0]=4 635 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [1,0,0,0,0,0|1,0,2]=4 636 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [1,0,0,0,0,0|1,0,2]=4 637 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,0,0,0,0,0|1,0,0]=2 638 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,0,0,0,0,0|1,0,0]=2 639 B7R0.1 CC=CCNCCF 34a_100000724931_100000070051 [1,0,0,0,0,0|2,0,0]=3 640 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [1,0,0,0,0,0|2,0,0]=3 641 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [1,0,0,0,0,0|2,0,0]=3 642 B7R0.1 CC=CCOCCBr 34a_100000211926_100000070051 [1,0,0,0,0,0|2,0,0]=3 643 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,0,0,0,0,0|1,0,0]=2 644 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [1,0,0,0,0,0|2,0,0]=3 645 B7R0.1 CC=CCSCC#N 62a_100000070051_100011215382 [1,0,0,0,0,0|2,0,1]=4 646 B7R0.1 CC=CCSCC#N 62a_100011215382_100000070051 [1,0,0,0,0,0|2,0,1]=4 647 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [1,0,0,0,0,0|2,0,1]=4 648 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [1,0,0,0,0,0|2,0,1]=4 649 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,0,0,0,0,0|1,0,0]=2 650 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,0,0,0,0,0|1,0,0]=2 651 B7R0.1 CC=CCSCCF 62a_100000070051_100011217306 [1,0,0,0,0,0|2,0,0]=3 652 B7R0.1 CC=CCSCCF 62a_100011217306_100000070051 [1,0,0,0,0,0|2,0,0]=3 653 B7R0.1 CC=CCSCCO 62a_100000070051_100000211926 [1,0,0,0,0,0|2,0,0]=3 654 B7R0.1 CC=CCSCCO 62a_100000211926_100000070051 [1,0,0,0,0,0|2,0,0]=3 655 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [1,0,0,0,0,0|2,0,0]=3 656 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [1,0,0,0,0,0|2,0,0]=3 657 B7R0.1 CC=CCSCSC 62a_100000070051_100011218213 [1,0,0,0,0,0|2,0,0]=3 658 B7R0.1 CC=CCSCSC 62a_100011218213_100000070051 [1,0,0,0,0,0|2,0,0]=3 659 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [1,0,0,0,0,0|2,0,0]=3 660 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [1,0,0,0,0,0|2,0,1]=4 661 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,0,0,0,0|1,0,1]=3 662 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,0,0,0,0|1,0,1]=3 663 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,0,0,0,0|1,0,1]=3 664 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,0,0,0,0|1,0,1]=3 665 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,0,0,0,0|1,0,1]=3 666 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,0,0,0,0|1,0,1]=3 667 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,0,0,0,0|1,0,1]=3 668 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,0,0,0,0|1,0,1]=3 669 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,0,0,0,0|1,0,1]=3 670 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,0,0,0,0|1,0,1]=3 671 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,0,0,0,0|1,0,1]=3 672 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,0,0,0,0|1,0,1]=3 673 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,0,0,0,0|1,0,1]=3 674 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,0,0,0,0|1,0,1]=3 675 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,0,0,0,0|1,0,1]=3 676 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,0,0,0,0|1,0,1]=3 677 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,0,0,0,0|1,0,1]=3 678 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,0,0,0,0|1,0,1]=3 679 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,0,0,0,0|1,0,1]=3 680 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,0,0,0,0,0|2,0,0]=3 681 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,0,0,0,0,0|2,0,0]=3 682 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,0,0,0,0,0|1,0,1]=3 683 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,0,0,0,0,0|1,0,1]=3 684 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [1,0,0,0,0,0|2,0,0]=3 685 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [1,0,0,0,0,0|2,0,0]=3 686 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,0,0,0,0,0|1,0,2]=4 687 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,0,0,0,0,0|1,0,2]=4 688 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,0,0,0,0,0|1,0,2]=4 689 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,0,0,0,0,0|1,0,2]=4 690 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [1,0,0,0,0,0|2,0,1]=4 691 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [1,0,0,0,0,0|2,0,1]=4 692 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [1,0,0,0,0,0|2,0,1]=4 693 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,0,0,0,0,0|1,0,1]=3 694 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,0,0,0,0,0|1,0,1]=3 695 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,0,0,0,0,0|1,0,1]=3 696 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,0,0,0,0,0|1,0,1]=3 697 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,0,0,0,0,0|2,0,1]=4 698 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,0,0,0,0,0|2,0,1]=4 699 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,0,0,0,0|1,0,2]=4 700 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,0,0,0,0|1,0,2]=4 701 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,0,0,0,0,0|2,0,1]=4 702 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,0,0,0,0,0|1,0,2]=4 703 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,0,0,0,0,0|1,0,2]=4 704 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,0,0,0,0,0|1,0,2]=4 705 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,0,0,0,0,0|2,0,1]=4 706 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,0,0,0,0,0|2,0,1]=4 707 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,0,0,0,0,0|2,0,1]=4 708 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,0,0,0,0,0|1,0,1]=3 709 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,0,0,0,0,0|1,0,1]=3 710 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,0,0,0,0,0|2,0,1]=4 711 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,0,0,0,0,0|2,0,1]=4 712 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,0,0,0,0,0|2,0,1]=4 713 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,0,0,0,0,0|2,0,1]=4 714 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,0,0,0,0,0|2,0,1]=4 715 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,0,0,0,0,0|2,0,1]=4 716 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,0,0,0,0,0|2,0,1]=4 717 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,0,0,0,0,0|2,0,1]=4 718 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,0,0,0,0,0|1,0,2]=4 719 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,0,0,0,0,0|1,0,2]=4 720 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,0,0,0,0,0|1,0,2]=4 721 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,0,0,0,0,0|1,0,2]=4 722 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [1,0,0,0,0,0|2,0,1]=4 723 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [1,0,0,0,0,0|2,0,1]=4 724 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,0,0,0,0,0|1,0,1]=3 725 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,0,0,0,0,0|1,0,1]=3 726 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,0,0,0,0,0|2,0,1]=4 727 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,0,0,0,0,0|2,0,1]=4 728 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,0,0,0,0,0|2,0,1]=4 729 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,0,0,0,0,0|2,0,1]=4 730 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [1,0,0,0,0,0|2,0,1]=4 731 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [1,0,0,0,0,0|2,0,1]=4 732 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,0,0,0,0,0|2,0,1]=4 733 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,0,0,0,0,0|2,0,1]=4 734 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [1,0,0,0,0,0|2,0,1]=4 735 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [1,0,0,0,0,0|2,0,1]=4 736 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [1,0,0,0,0,0|2,0,1]=4 737 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [1,0,0,0,0,0|2,0,1]=4 738 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,0,0,0,0,0|2,0,1]=4 739 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,0,0,0,0,0|1,0,1]=3 740 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,0,0,0,0,0|2,0,1]=4 741 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,0,0,0,0,0|2,0,1]=4 742 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,0,0,0,0,0|2,0,1]=4 743 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,0,0,0,0,0|2,0,1]=4 744 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,0,0,0,0,0|2,0,1]=4 745 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,0,0,0,0,0|2,0,1]=4 746 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,0,0,0,0,0|2,0,1]=4 747 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,0,0,0,0,0|2,0,1]=4 748 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,0,0,0,0,0|2,0,1]=4 749 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,0,0,0,0,0|2,0,1]=4 750 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,0,0,0,0,0|2,0,1]=4 751 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,0,0,0,0,0|2,0,1]=4 752 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,0,0,0,0,0|2,0,1]=4 753 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,0,0,0,0,0|2,0,1]=4 754 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,0,0,0,0,0|2,0,1]=4 755 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,0,0,0,0,0|2,0,1]=4 756 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,0,0,0,0,0|2,0,1]=4 757 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,0,0,0,0,0|2,0,1]=4 758 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,0,0,0,0,0|2,0,1]=4 759 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,0,0,0,0,0|2,0,1]=4 760 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,0,0,0,0,0|2,0,1]=4 761 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [1,0,0,0,0,0|2,0,1]=4 762 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [1,0,0,0,0,0|2,0,1]=4 763 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,0,0,0,0,0|1,0,1]=3 764 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,0,0,0,0,0|1,0,1]=3 765 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [1,0,0,0,0,0|2,0,1]=4 766 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [1,0,0,0,0,0|2,0,1]=4 767 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,0,0,0,0,0|2,0,1]=4 768 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,0,0,0,0,0|2,0,1]=4 769 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,0,0,0,0,0|2,0,1]=4 770 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,0,0,0,0,0|2,0,1]=4 771 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,0,0,0,0,0|2,0,1]=4 772 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,0,0,0,0,0|2,0,1]=4 773 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,0,0,0,0,0|2,0,1]=4 774 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,0,0,0,0,0|2,0,1]=4 775 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,0,0,0,0,0|2,0,1]=4 776 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,0,0,0,0,0|2,0,1]=4 777 B7R0.1 CCNCC#CCO 2230a_100015525214_200000047223 [1,0,0,0,0,0|1,0,2]=4 778 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,0,0,0,0,0|1,0,2]=4 779 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [1,0,0,0,0,0|2,0,1]=4 780 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,0,0,0,0,0|1,0,1]=3 781 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,0,0,0,0,0|1,0,1]=3 782 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,0,0,0,0,0|1,0,1]=3 783 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,0,0,0,0,0|2,0,1]=4 784 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,0,0,0,0,0|2,0,1]=4 785 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,0,0,0,0,0|2,0,1]=4 786 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,0,0,0,0,0|2,0,1]=4 787 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,0,0,0,0,0|2,0,1]=4 788 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,0,0,0,0,0|2,0,1]=4 789 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [1,0,0,0,0,0|2,0,1]=4 790 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [1,0,0,0,0,0|2,0,1]=4 791 B7R0.1 CCOCC#CCO 34a_100121572206_200000047223 [1,0,0,0,0,0|1,0,2]=4 792 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,0,0,0,0,0|2,0,1]=4 793 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,0,0,0,0,0|2,0,1]=4 794 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,0,0,0,0,0|2,0,1]=4 795 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,0,0,0,0,0|2,0,1]=4 796 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,0,0,0,0,0|2,0,1]=4 797 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,0,0,0,0,0|2,0,1]=4 798 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,0,0,0,0,0|2,0,1]=4 799 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,0,0,0,0,0|2,0,1]=4 800 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,0,0,0,0,0|1,0,1]=3 801 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,0,0,0,0,0|2,0,1]=4 802 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,0,0,0,0,0|2,0,1]=4 803 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,0,0,0,0,0|2,0,1]=4 804 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,0,0,0,0,0|2,0,1]=4 805 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,0,0,0,0,0|2,0,1]=4 806 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,0,0,0,0,0|2,0,1]=4 807 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,0,0,0,0,0|2,0,1]=4 808 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,0,0,0,0,0|2,0,1]=4 809 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,0,0,0,0,0|2,0,1]=4 810 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,0,0,0,0,0|2,0,1]=4 811 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,0,0,0,0,0|2,0,1]=4 812 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,0,0,0,0,0|2,0,1]=4 813 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,0,0,0,0,0|2,0,1]=4 814 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,0,0,0,0,0|2,0,1]=4 815 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,0,0,0,0,0|2,0,1]=4 816 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,0,0,0,0,0|2,0,1]=4 817 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,0,0,0,0,0|2,0,1]=4 818 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,0,0,0,0,0|2,0,1]=4 819 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,0,0,0,0,0|2,0,1]=4 820 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,0,0,0,0,0|2,0,1]=4 821 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,0,0,0,0,0|2,0,1]=4 822 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [1,0,0,0,0,0|3,0,0]=4 823 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,0,0,0,0,0|2,0,1]=4 824 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,0,0,0,0,0|2,0,1]=4 825 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,0,0,0,0,0|2,0,1]=4 826 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [1,0,0,0,0,0|3,0,0]=4 827 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [1,0,0,0,0,0|3,0,0]=4 828 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,0,0,0,0,0|2,0,1]=4 829 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,0,0,0,0,0|2,0,1]=4 830 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,0,0,0,0,0|2,0,1]=4 831 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,0,0,0,0,0|2,0,1]=4 832 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,0,0,0,0,0|2,0,1]=4 833 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [1,0,0,0,0,0|3,0,0]=4 834 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [1,0,0,0,0,0|3,0,0]=4 835 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [1,0,0,0,0,0|2,0,1]=4 836 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [1,0,0,0,0,0|2,0,1]=4 837 B7R0.1 CCSCC#CCO 62a_100000210202_200000047223 [1,0,0,0,0,0|1,0,2]=4 838 B7R0.1 CCSCC#CCO 62a_200000047223_100000210202 [1,0,0,0,0,0|1,0,2]=4 839 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,0,0,0,0,0|1,0,2]=4 840 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,0,0,0,0,0|1,0,2]=4 841 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [1,0,0,0,0,0|2,0,1]=4 842 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [1,0,0,0,0,0|2,0,1]=4 843 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,0,0,0,0,0|1,0,1]=3 844 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,0,0,0,0,0|1,0,1]=3 845 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,0,0,0,0,0|2,0,1]=4 846 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,0,0,0,0,0|2,0,1]=4 847 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,0,0,0,0,0|2,0,1]=4 848 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,0,0,0,0,0|2,0,1]=4 849 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,0,0,0,0,0|2,0,1]=4 850 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,0,0,0,0,0|2,0,1]=4 851 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [1,0,0,0,0,0|3,0,0]=4 852 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [1,0,0,0,0,0|3,0,0]=4 853 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [1,0,0,0,0,0|2,0,1]=4 854 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [1,0,0,0,0,0|2,0,1]=4 855 B7R0.1 CCSCCSCF 62a_100000757381_100015361967 [1,0,0,0,0,0|3,0,0]=4 856 B7R0.1 CCSCCSCF 62a_100015361967_100000757381 [1,0,0,0,0,0|3,0,0]=4 857 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,0,0,0,0|1,0,2]=4 858 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,0,0,0,0|1,0,2]=4 859 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [1,0,0,0,0,0|2,0,1]=4 860 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [1,0,0,0,0,0|2,0,1]=4 861 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [1,0,0,0,0,0|2,0,1]=4 862 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,0,0,0,0,0|1,0,1]=3 863 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,0,0,0,0,0|1,0,1]=3 864 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,0,0,0,0,0|1,0,1]=3 865 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,0,0,0,0,0|1,0,1]=3 866 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,0,0,0,0,0|1,0,1]=3 867 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,0,0,0,0,0|2,0,1]=4 868 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,0,0,0,0,0|2,0,1]=4 869 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,0,0,0,0,0|2,0,1]=4 870 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [1,0,0,0,0,0|3,0,0]=4 871 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [1,0,0,0,0,0|2,0,1]=4 872 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [1,0,0,0,0,0|2,0,1]=4 873 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [1,0,0,0,0,0|2,0,1]=4 874 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [1,0,0,0,0,0|2,0,1]=4 875 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [1,0,0,0,0,0|2,0,1]=4 876 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [1,0,0,0,0,0|2,0,1]=4 877 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,0,0,0,0,0|2,0,1]=4 878 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,0,0,0,0,0|2,0,1]=4 879 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,0,0,0,0,0|2,0,1]=4 880 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,0,0,0,0,0|2,0,1]=4 881 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,0,0,0,0,0|2,0,1]=4 882 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,0,0,0,0,0|2,0,1]=4 883 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,0,0,0,0,0|2,0,1]=4 884 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,0,0,0,0,0|2,0,1]=4 885 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,0,0,0,0,0|1,0,1]=3 886 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,0,0,0,0,0|2,0,1]=4 887 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,0,0,0,0,0|2,0,1]=4 888 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,0,0,0,0,0|2,0,1]=4 889 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,0,0,0,0,0|2,0,1]=4 890 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,0,0,0,0,0|2,0,1]=4 891 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,0,0,0,0,0|2,0,1]=4 892 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,0,0,0,0,0|2,0,1]=4 893 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,0,0,0,0,0|2,0,1]=4 894 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,0,0,0,0,0|2,0,1]=4 895 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [1,0,0,0,0,0|3,0,0]=4 896 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [1,0,0,0,0,0|3,0,0]=4 897 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [1,0,0,0,0,0|3,0,0]=4 898 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [1,0,0,0,0,0|3,0,0]=4 899 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [1,0,0,0,0,0|2,0,1]=4 900 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [1,0,0,0,0,0|2,0,1]=4 901 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [1,0,0,0,0,0|2,0,1]=4 902 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [1,0,0,0,0,0|2,0,1]=4 903 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [1,0,0,0,0,0|2,0,1]=4 904 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [1,0,0,0,0,0|2,0,1]=4 905 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [1,0,0,0,0,0|2,0,1]=4 906 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [1,0,0,0,0,0|2,0,1]=4 907 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [1,0,0,0,0,0|2,0,1]=4 908 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,0,0,0,0|1,0,2]=4 909 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,0,0,0,0|1,0,2]=4 910 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,0,0,0,0,0|2,0,1]=4 911 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,0,0,0,0,0|2,0,1]=4 912 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,0,0,0,0,0|1,0,1]=3 913 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,0,0,0,0,0|1,0,1]=3 914 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,0,0,0,0,0|2,0,1]=4 915 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,0,0,0,0,0|2,0,1]=4 916 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,0,0,0,0,0|3,0,0]=4 917 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,0,0,0,0,0|3,0,0]=4 918 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [1,0,0,0,0,0|2,0,1]=4 919 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [1,0,0,0,0,0|2,0,1]=4 920 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [1,0,0,0,0,0|2,0,1]=4 921 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [1,0,0,0,0,0|2,0,1]=4 922 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [1,0,0,0,0,0|2,0,1]=4 923 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [1,0,0,0,0,0|2,0,1]=4 924 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [1,0,0,0,0,0|2,0,1]=4 925 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [1,0,0,0,0,0|2,0,1]=4 926 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [1,0,0,0,0,0|2,0,1]=4 927 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [1,0,0,0,0,0|2,0,1]=4 928 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [1,0,0,0,0,0|2,0,1]=4 929 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [1,0,0,0,0,0|3,0,0]=4 930 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [1,0,0,0,0,0|3,0,0]=4 931 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [1,0,0,0,0,0|3,0,0]=4 932 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [1,0,0,0,0,0|3,0,0]=4 933 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [1,0,0,0,0,0|3,0,0]=4 934 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [1,0,0,0,0,0|3,0,0]=4 935 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [1,0,0,0,0,0|3,0,0]=4 936 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [1,0,0,0,0,0|3,0,0]=4 937 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [1,0,0,0,0,0|3,0,0]=4 938 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [1,0,0,0,0,0|2,0,1]=4 939 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [1,0,0,0,0,0|2,0,1]=4 940 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [1,0,0,0,0,0|2,0,1]=4 941 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [1,0,0,0,0,0|2,0,1]=4 942 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [1,0,0,0,0,0|2,0,1]=4 943 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [1,0,0,0,0,0|2,0,1]=4 944 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [1,0,0,0,0,0|2,0,1]=4 945 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [1,0,0,0,0,0|2,0,1]=4 946 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [1,0,0,0,0,0|2,0,1]=4 947 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [1,0,0,0,0,0|2,0,1]=4 948 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [1,0,0,0,0,0|2,0,1]=4 949 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [1,0,0,0,0,0|2,0,1]=4 950 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [1,0,0,0,0,0|2,0,1]=4 951 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [1,0,0,0,0,0|2,0,1]=4 952 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [1,0,0,0,0,0|2,0,1]=4 953 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [1,0,0,0,0,0|2,0,1]=4 954 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [1,0,0,0,0,0|2,0,1]=4 955 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [1,0,0,0,0,0|2,0,1]=4 956 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [1,0,0,0,0,0|2,0,1]=4 957 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [1,0,0,0,0,0|2,0,1]=4 958 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [1,0,0,0,0,0|2,0,1]=4 959 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [1,0,0,0,0,0|2,0,1]=4 960 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,0,0,0,0,0|1,0,1]=3 961 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,0,0,0,0,0|1,0,1]=3 962 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [1,0,0,0,0,0|2,0,1]=4 963 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [1,0,0,0,0,0|2,0,1]=4 964 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [1,0,0,0,0,0|2,0,1]=4 965 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,0,0,0,0,0|2,0,1]=4 966 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,0,0,0,0,0|2,0,1]=4 967 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,0,0,0,0,0|2,0,1]=4 968 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,0,0,0,0,0|2,0,1]=4 969 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,0,0,0,0,0|2,0,1]=4 970 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,0,0,0,0,0|2,0,1]=4 971 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,0,0,0,0,0|2,0,1]=4 972 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,0,0,0,0|1,0,2]=4 973 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,0,0,0,0|1,0,2]=4 974 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,0,0,0,0,0|2,0,1]=4 975 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,0,0,0,0,0|2,0,1]=4 976 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,0,0,0,0,0|1,0,1]=3 977 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,0,0,0,0,0|1,0,1]=3 978 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [1,0,0,0,0,0|2,0,1]=4 979 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [1,0,0,0,0,0|2,0,1]=4 980 B9R0.2 C=C(C)COC/C=C\CC 34a_100000210245_100103147603 [0,1,0,0,0,0|2,0,1]=4 981 B9R0.2 C=C(C)COC/C=C\CC 34a_100016268518_100000748629 [0,1,0,0,0,0|2,0,1]=4 982 B9R0.2 C=C(C)CSC/C=C\CC 62a_100000748629_100103147603 [0,1,0,0,0,0|2,0,1]=4 983 B9R0.2 C=C(C)CSC/C=C\CC 62a_100103147603_100000211660 [0,1,0,0,0,0|2,0,1]=4 984 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,1,0,0,0,0|0,0,3]=4 985 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,1,0,0,0,0|0,0,3]=4 986 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,1,0,0,0,0|1,0,2]=4 987 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,1,0,0,0,0|1,0,2]=4 988 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,1,0,0,0,0|1,0,2]=4 989 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,1,0,0,0,0|1,0,2]=4 990 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,1,0,0,0,0|1,0,2]=4 991 B9R0.2 CC(Br)CCOCCCO 34a_100009893172_100000230001 [0,1,0,0,0,0|1,0,2]=4 992 B9R0.2 CC(Br)COCC#CCO 34a_100012180447_200000047223 [0,1,0,0,0,0|1,0,2]=4 993 B9R0.2 CC(Br)COCCCCO 34a_100012180447_100011216708 [0,1,0,0,0,0|1,0,2]=4 994 B9R0.2 CC(C)CCCCOCF 34a_100011214890_100015361967 [0,1,0,0,0,0|2,0,1]=4 995 B9R0.2 CC(C)CCCCOCF 7a_100011214890_100015361967 [0,1,0,0,0,0|2,0,1]=4 996 B9R0.2 CC(C)CCCCSCF 62a_100011216152_100015361967 [0,1,0,0,0,0|2,0,1]=4 997 B9R0.2 CC(C)CCCCSCF 62a_100015361967_100011216152 [0,1,0,0,0,0|2,0,1]=4 998 B9R0.2 CC(C)CCCNCCF 2230a_200000737386_100011217306 [0,1,0,0,0,0|2,0,1]=4 999 B9R0.2 CC(C)CCCNCCF 34a_100000724931_100011214892 [0,1,0,0,0,0|2,0,1]=4 1000 B9R0.2 CC(C)CCCNCCF 34a_200000737386_100011217306 [0,1,0,0,0,0|2,0,1]=4 1001 B9R0.2 CC(C)CCCNCCO 2230a_100016997473_100011214892 [0,1,0,0,0,0|1,0,1]=3 1002 B9R0.2 CC(C)CCCNCCO 2230a_200000737386_100000211926 [0,1,0,0,0,0|1,0,1]=3 1003 B9R0.2 CC(C)CCCNCCO 34a_100016990907_100011214892 [0,1,0,0,0,0|1,0,1]=3 1004 B9R0.2 CC(C)CCCNCCO 34a_200000737386_100000211926 [0,1,0,0,0,0|1,0,1]=3 1005 B9R0.2 CC(C)CCCOCCBr 34a_100000211926_100011214892 [0,1,0,0,0,0|2,0,1]=4 1006 B9R0.2 CC(C)CCCOCCF 34a_100000210774_100011217306 [0,1,0,0,0,0|2,0,1]=4 1007 B9R0.2 CC(C)CCCOCCF 7a_100000210774_100011217306 [0,1,0,0,0,0|2,0,1]=4 1008 B9R0.2 CC(C)CCCOCCN 34a_100000210304_100011214892 [0,1,0,0,0,0|2,0,1]=4 1009 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [0,1,0,0,0,0|1,0,1]=3 1010 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [0,1,0,0,0,0|1,0,1]=3 1011 B9R0.2 CC(C)CCCSCCF 62a_100011214892_100011217306 [0,1,0,0,0,0|2,0,1]=4 1012 B9R0.2 CC(C)CCCSCCF 62a_100011217306_100011214892 [0,1,0,0,0,0|2,0,1]=4 1013 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [0,1,0,0,0,0|1,0,1]=3 1014 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [0,1,0,0,0,0|1,0,1]=3 1015 B9R0.2 CC(C)CCNCCCO 269862a_100000182051_100000185833 [0,1,0,0,0,0|1,0,2]=4 1016 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [0,1,0,0,0,0|1,0,2]=4 1017 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [0,1,0,0,0,0|1,0,2]=4 1018 B9R0.2 CC(C)CCSCCCO 62a_100000210312_100011215043 [0,1,0,0,0,0|1,0,2]=4 1019 B9R0.2 CC(C)CCSCCCO 62a_100011215043_100000210312 [0,1,0,0,0,0|1,0,2]=4 1020 B9R0.2 CC(C)CNCC#CCO 2230a_100000210953_200000047223 [0,1,0,0,0,0|1,0,2]=4 1021 B9R0.2 CC(C)CNCC#CCO 34a_100000210953_200000047223 [0,1,0,0,0,0|1,0,2]=4 1022 B9R0.2 CC(C)CNCCCCO 2230a_100000210953_100000210776 [0,1,0,0,0,0|1,0,2]=4 1023 B9R0.2 CC(C)CNCCCCO 2230a_100000750430_100000210760 [0,1,0,0,0,0|1,0,2]=4 1024 B9R0.2 CC(C)CNCCCCO 270004a_100000750430_100000210432 [0,1,0,0,0,0|1,0,2]=4 1025 B9R0.2 CC(C)CNCCCCO 34a_100000210953_100011216708 [0,1,0,0,0,0|1,0,2]=4 1026 B9R0.2 CC(C)CNCCCCO 34a_100000750430_100000210624 [0,1,0,0,0,0|1,0,2]=4 1027 B9R0.2 CC(C)COCC#CCO 34a_100000210257_200000047223 [0,1,0,0,0,0|1,0,2]=4 1028 B9R0.2 CC(C)COCCCCO 34a_100000210257_100011216708 [0,1,0,0,0,0|1,0,2]=4 1029 B9R0.2 CC(C)CSCC#CCO 62a_100000210624_200000047223 [0,1,0,0,0,0|1,0,2]=4 1030 B9R0.2 CC(C)CSCC#CCO 62a_200000047223_100000210760 [0,1,0,0,0,0|1,0,2]=4 1031 B9R0.2 CC(C)CSCCCCO 62a_100000210624_100000210776 [0,1,0,0,0,0|1,0,2]=4 1032 B9R0.2 CC(C)CSCCCCO 62a_100000210776_100000210760 [0,1,0,0,0,0|1,0,2]=4 1033 B9R0.2 CC(C)NCCCCCO 2230a_100000762737_100000210206 [0,1,0,0,0,0|1,0,2]=4 1034 B9R0.2 CC(C)NCCCCCO 2230a_100138425928_100000746330 [0,1,0,0,0,0|1,0,2]=4 1035 B9R0.2 CC(C)NCCCCCO 34a_100000762737_100000210206 [0,1,0,0,0,0|1,0,2]=4 1036 B9R0.2 CC(C)NCCCCCO 34a_100138425928_100000746330 [0,1,0,0,0,0|1,0,2]=4 1037 B9R0.2 CC(C)NCCOCCO 2230a_100000211614_100000210206 [0,1,0,0,0,0|2,0,1]=4 1038 B9R0.2 CC(C)NCCOCCO 2230a_100138425928_100011215305 [0,1,0,0,0,0|2,0,1]=4 1039 B9R0.2 CC(C)NCCOCCO 34a_100000211614_100000210206 [0,1,0,0,0,0|2,0,1]=4 1040 B9R0.2 CC(C)NCCOCCO 34a_100000224655_100000211926 [0,1,0,0,0,0|2,0,1]=4 1041 B9R0.2 CC(C)NCCOCCO 34a_100138425928_100000692535 [0,1,0,0,0,0|2,0,1]=4 1042 B9R0.2 CC(C)NCCSCCO 2230a_100011219999_100000210206 [0,1,0,0,0,0|2,0,1]=4 1043 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [0,1,0,0,0,0|1,0,2]=4 1044 B9R0.2 CC(C)OCCNCCO 2230a_100000701111_100000211926 [0,1,0,0,0,0|2,0,1]=4 1045 B9R0.2 CC(C)OCCNCCO 2230a_100016997473_100000211751 [0,1,0,0,0,0|2,0,1]=4 1046 B9R0.2 CC(C)OCCNCCO 34a_100000701111_100000211926 [0,1,0,0,0,0|2,0,1]=4 1047 B9R0.2 CC(C)OCCNCCO 34a_100016990907_100000211751 [0,1,0,0,0,0|2,0,1]=4 1048 B9R0.2 CC(C)OCCOCCO 34a_100000211219_100000211926 [0,1,0,0,0,0|2,0,1]=4 1049 B9R0.2 CC(C)OCCOCCO 34a_100000212225_100000692535 [0,1,0,0,0,0|2,0,1]=4 1050 B9R0.2 CC(C)OCCOCCO 7a_100000211219_100000211926 [0,1,0,0,0,0|2,0,1]=4 1051 B9R0.2 CC(C)OCCSCCO 62a_100000211751_100000211926 [0,1,0,0,0,0|2,0,1]=4 1052 B9R0.2 CC(C)OCCSCCO 62a_100000211926_100000211751 [0,1,0,0,0,0|2,0,1]=4 1053 B9R0.2 CC(C)SCCCCCO 62a_100000210206_100000746330 [0,1,0,0,0,0|1,0,2]=4 1054 B9R0.2 CC(C)SCCCCCO 62a_100000746330_100000210206 [0,1,0,0,0,0|1,0,2]=4 1055 B9R0.2 CC(C)SCCNCCO 2230a_100000731138_100000211926 [0,1,0,0,0,0|2,0,1]=4 1056 B9R0.2 CC(C)SCCNCCO 2230a_100016997473_100000730970 [0,1,0,0,0,0|2,0,1]=4 1057 B9R0.2 CC(C)SCCNCCO 34a_100000731138_100000211926 [0,1,0,0,0,0|2,0,1]=4 1058 B9R0.2 CC(C)SCCNCCO 34a_100016990907_100000730970 [0,1,0,0,0,0|2,0,1]=4 1059 B9R0.2 CC(C)SCCOCCO 34a_200011212901_100000211926 [0,1,0,0,0,0|2,0,1]=4 1060 B9R0.2 CC(C)SCCOCCO 62a_100000210206_100011215305 [0,1,0,0,0,0|2,0,1]=4 1061 B9R0.2 CC(C)SCCOCCO 62a_100011215305_100000210206 [0,1,0,0,0,0|2,0,1]=4 1062 B9R0.2 CC(C)SCCOCCO 7a_200011212901_100000211926 [0,1,0,0,0,0|2,0,1]=4 1063 B9R0.2 CC(C)SCCSCCO 62a_100000211926_100000730970 [0,1,0,0,0,0|2,0,1]=4 1064 B9R0.2 CC(C)SCCSCCO 62a_100000730970_100000211926 [0,1,0,0,0,0|2,0,1]=4 1065 B9R0.2 CC(F)COCC#CCO 34a_100015925927_200000047223 [0,1,0,0,0,0|1,0,2]=4 1066 B9R0.2 CC(F)COCCCCO 34a_100015925927_100011216708 [0,1,0,0,0,0|1,0,2]=4 1067 B9R0.2 CC(O)CCCNCCF 34a_100000724931_200000718107 [0,1,0,0,0,0|2,0,1]=4 1068 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [0,1,0,0,0,0|1,0,1]=3 1069 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [0,1,0,0,0,0|1,0,1]=3 1070 B9R0.2 CC(O)CCCOCCBr 34a_100000211926_200000718107 [0,1,0,0,0,0|2,0,1]=4 1071 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [0,1,0,0,0,0|2,0,1]=4 1072 B9R0.2 CC(O)CCCSCCF 62a_100011217306_200000718107 [0,1,0,0,0,0|2,0,1]=4 1073 B9R0.2 CC(O)CCCSCCF 62a_200000718107_100011217306 [0,1,0,0,0,0|2,0,1]=4 1074 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [0,1,0,0,0,0|1,0,1]=3 1075 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [0,1,0,0,0,0|1,0,1]=3 1076 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [0,1,0,0,0,0|1,0,2]=4 1077 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [0,1,0,0,0,0|1,0,2]=4 1078 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [0,1,0,0,0,0|1,0,2]=4 1079 B9R0.2 CC(O)CNCC#CCO 2230a_100000210904_200000047223 [0,1,0,0,0,0|1,0,2]=4 1080 B9R0.2 CC(O)CNCC#CCO 34a_100000210904_200000047223 [0,1,0,0,0,0|1,0,2]=4 1081 B9R0.2 CC(O)CNCCCCF 2230a_100000210904_100000729493 [0,1,0,0,0,0|2,0,1]=4 1082 B9R0.2 CC(O)CNCCCCF 34a_100000210904_100000729493 [0,1,0,0,0,0|2,0,1]=4 1083 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [0,1,0,0,0,0|1,0,2]=4 1084 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [0,1,0,0,0,0|1,0,2]=4 1085 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [0,1,0,0,0,0|1,0,2]=4 1086 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [0,1,0,0,0,0|1,0,2]=4 1087 B9R0.2 CC(O)COCCCCBr 34a_100011216708_100011218427 [0,1,0,0,0,0|2,0,1]=4 1088 B9R0.2 CC(O)COCCCCCl 34a_100000210776_100011218427 [0,1,0,0,0,0|2,0,1]=4 1089 B9R0.2 CC(O)COCCCCCl 7a_100000210776_100011218427 [0,1,0,0,0,0|2,0,1]=4 1090 B9R0.2 CC(O)COCCCCF 34a_100011995726_100011218427 [0,1,0,0,0,0|2,0,1]=4 1091 B9R0.2 CC(O)COCCCCF 7a_100011995726_100011218427 [0,1,0,0,0,0|2,0,1]=4 1092 B9R0.2 CC(O)COCCCCI 34a_200012148704_100011218427 [0,1,0,0,0,0|2,0,1]=4 1093 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [0,1,0,0,0,0|2,0,1]=4 1094 B9R0.2 CC(O)CSCC#CCO 62a_100011218427_200000047223 [0,1,0,0,0,0|1,0,2]=4 1095 B9R0.2 CC(O)CSCC#CCO 62a_200000047223_100011218427 [0,1,0,0,0,0|1,0,2]=4 1096 B9R0.2 CC(O)CSCCCCF 62a_100000729493_100011218427 [0,1,0,0,0,0|2,0,1]=4 1097 B9R0.2 CC(O)CSCCCCF 62a_100011218427_100000729493 [0,1,0,0,0,0|2,0,1]=4 1098 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [0,1,0,0,0,0|1,0,2]=4 1099 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [0,1,0,0,0,0|1,0,2]=4 1100 B9R0.2 CC/C=C\CCNC(C)C 2230a_100138425928_100015370543 [0,1,0,0,0,0|2,0,0]=3 1101 B9R0.2 CC/C=C\CCNC(C)C 34a_100138425928_100015370543 [0,1,0,0,0,0|2,0,0]=3 1102 B9R0.2 CC/C=C\CCOC(C)C 34a_100000212225_100015370543 [0,1,0,0,0,0|2,0,0]=3 1103 B9R0.2 CC/C=C\CCOC(C)C 34a_100016288707_100000210206 [0,1,0,0,0,0|2,0,0]=3 1104 B9R0.2 CC/C=C\CCOC(C)C 7a_100016288707_100000210206 [0,1,0,0,0,0|2,0,0]=3 1105 B9R0.2 CC/C=C\CCSC(C)C 62a_100000210206_100015370543 [0,1,0,0,0,0|2,0,0]=3 1106 B9R0.2 CC/C=C\CCSC(C)C 62a_100015370543_100000210206 [0,1,0,0,0,0|2,0,0]=3 1107 B9R0.2 CC/C=C\CNCC(C)C 2230a_100000210953_100103147603 [0,1,0,0,0,0|2,0,0]=3 1108 B9R0.2 CC/C=C\CNCC(C)C 34a_100000210953_100103147603 [0,1,0,0,0,0|2,0,0]=3 1109 B9R0.2 CC/C=C\CNCC(C)O 2230a_100000210904_100103147603 [0,1,0,0,0,0|2,0,0]=3 1110 B9R0.2 CC/C=C\CNCC(C)O 34a_100000210904_100103147603 [0,1,0,0,0,0|2,0,0]=3 1111 B9R0.2 CC/C=C\CNCC(F)F 34a_100000765723_100103147603 [0,1,0,0,0,0|3,0,0]=4 1112 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [0,1,0,0,0,0|2,0,1]=4 1113 B9R0.2 CC/C=C\COCC(C)Br 34a_100012180447_100103147603 [0,1,0,0,0,0|2,0,0]=3 1114 B9R0.2 CC/C=C\COCC(C)C 34a_100000210257_100103147603 [0,1,0,0,0,0|2,0,0]=3 1115 B9R0.2 CC/C=C\COCC(C)C 34a_100016268518_100000210624 [0,1,0,0,0,0|2,0,0]=3 1116 B9R0.2 CC/C=C\COCC(C)F 34a_100015925927_100103147603 [0,1,0,0,0,0|2,0,0]=3 1117 B9R0.2 CC/C=C\COCC(C)O 34a_100016268518_100011218427 [0,1,0,0,0,0|2,0,0]=3 1118 B9R0.2 CC/C=C\COCC(F)F 34a_100000743014_100103147603 [0,1,0,0,0,0|3,0,0]=4 1119 B9R0.2 CC/C=C\COCC(F)F 34a_100016268518_100011934356 [0,1,0,0,0,0|3,0,0]=4 1120 B9R0.2 CC/C=C\COC[C@@H](C)Cl 34a_100016084084_100103147603 [0,1,0,0,0,0|2,0,0]=3 1121 B9R0.2 CC/C=C\COC[C@@H](C)N 34a_100000737577_100103147603 [0,1,0,0,0,0|2,0,0]=3 1122 B9R0.2 CC/C=C\COC[C@@H](C)O 34a_100016268518_100009817552 [0,1,0,0,0,0|2,0,0]=3 1123 B9R0.2 CC/C=C\CSCC(C)C 62a_100000210624_100103147603 [0,1,0,0,0,0|2,0,0]=3 1124 B9R0.2 CC/C=C\CSCC(C)C 62a_100103147603_100000210760 [0,1,0,0,0,0|2,0,0]=3 1125 B9R0.2 CC/C=C\CSCC(C)O 62a_100011218427_100103147603 [0,1,0,0,0,0|2,0,0]=3 1126 B9R0.2 CC/C=C\CSCC(C)O 62a_100103147603_100011218427 [0,1,0,0,0,0|2,0,0]=3 1127 B9R0.2 CC/C=C\CSCC(F)F 62a_100011934356_100103147603 [0,1,0,0,0,0|3,0,0]=4 1128 B9R0.2 CC/C=C\CSCC(F)F 62a_100103147603_100011934356 [0,1,0,0,0,0|3,0,0]=4 1129 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100009817552_100103147603 [0,1,0,0,0,0|2,0,0]=3 1130 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100103147603_100009817552 [0,1,0,0,0,0|2,0,0]=3 1131 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,1,0,0,0,0|0,0,2]=3 1132 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,1,0,0,0,0|0,0,2]=3 1133 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [0,1,0,0,0,0|2,0,1]=4 1134 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [0,1,0,0,0,0|2,0,1]=4 1135 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [0,1,0,0,0,0|2,0,1]=4 1136 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [0,1,0,0,0,0|2,0,1]=4 1137 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [0,1,0,0,0,0|2,0,1]=4 1138 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [0,1,0,0,0,0|2,0,1]=4 1139 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [0,1,0,0,0,0|2,0,1]=4 1140 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [0,1,0,0,0,0|2,0,1]=4 1141 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,1,0,0,0,0|1,0,2]=4 1142 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [0,1,0,0,0,0|2,0,1]=4 1143 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [0,1,0,0,0,0|2,0,1]=4 1144 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [0,1,0,0,0,0|2,0,1]=4 1145 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [0,1,0,0,0,0|2,0,1]=4 1146 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [0,1,0,0,0,0|1,0,1]=3 1147 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [0,1,0,0,0,0|1,0,1]=3 1148 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [0,1,0,0,0,0|1,0,1]=3 1149 B9R0.2 CCCCCNCC(F)F 2230a_100000209983_100011934356 [0,1,0,0,0,0|2,0,1]=4 1150 B9R0.2 CCCCCNCC(F)F 34a_100000765723_100000718602 [0,1,0,0,0,0|2,0,1]=4 1151 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [0,1,0,0,0,0|1,0,1]=3 1152 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [0,1,0,0,0,0|2,0,1]=4 1153 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [0,1,0,0,0,0|2,0,1]=4 1154 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [0,1,0,0,0,0|2,0,1]=4 1155 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [0,1,0,0,0,0|2,0,1]=4 1156 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [0,1,0,0,0,0|2,0,1]=4 1157 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [0,1,0,0,0,0|1,0,1]=3 1158 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [0,1,0,0,0,0|1,0,1]=3 1159 B9R0.2 CCCCCOCC(F)F 34a_100000210253_100011934356 [0,1,0,0,0,0|2,0,1]=4 1160 B9R0.2 CCCCCOCC(F)F 34a_100000743014_100000718602 [0,1,0,0,0,0|2,0,1]=4 1161 B9R0.2 CCCCCOCC(F)F 7a_100000210253_100011934356 [0,1,0,0,0,0|2,0,1]=4 1162 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [0,1,0,0,0,0|2,0,1]=4 1163 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [0,1,0,0,0,0|2,0,1]=4 1164 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [0,1,0,0,0,0|1,0,1]=3 1165 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [0,1,0,0,0,0|1,0,1]=3 1166 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [0,1,0,0,0,0|2,0,1]=4 1167 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [0,1,0,0,0,0|2,0,1]=4 1168 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [0,1,0,0,0,0|1,0,1]=3 1169 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [0,1,0,0,0,0|1,0,1]=3 1170 B9R0.2 CCCCCSCC(F)F 62a_100000210326_100011934356 [0,1,0,0,0,0|2,0,1]=4 1171 B9R0.2 CCCCCSCC(F)F 62a_100011934356_100000210326 [0,1,0,0,0,0|2,0,1]=4 1172 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [0,1,0,0,0,0|1,0,1]=3 1173 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [0,1,0,0,0,0|1,0,1]=3 1174 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [0,1,0,0,0,0|1,0,2]=4 1175 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [0,1,0,0,0,0|1,0,2]=4 1176 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [0,1,0,0,0,0|1,0,2]=4 1177 B9R0.2 CCCCNN=CC(C)C 4a_100025702795_100000210432 [0,1,0,0,0,0|3,0,0]=4 1178 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [0,1,0,0,0,0|1,0,2]=4 1179 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [0,1,0,0,0,0|1,0,2]=4 1180 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [0,1,0,0,0,0|1,0,2]=4 1181 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [0,1,0,0,0,0|1,0,2]=4 1182 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [0,1,0,0,0,0|2,0,1]=4 1183 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [0,1,0,0,0,0|2,0,1]=4 1184 B9R0.2 CCCOC/C=C/B(O)O 34a_100000210258_100016262062 [0,1,0,0,0,0|2,0,0]=3 1185 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [0,1,0,0,0,0|2,0,1]=4 1186 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [0,1,0,0,0,0|2,0,1]=4 1187 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [0,1,0,0,0,0|2,0,1]=4 1188 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [0,1,0,0,0,0|1,0,2]=4 1189 B9R0.2 CCCSC/C=C/B(O)O 62a_100000210303_100016262062 [0,1,0,0,0,0|2,0,0]=3 1190 B9R0.2 CCCSC/C=C/B(O)O 62a_100016262062_100000210303 [0,1,0,0,0,0|2,0,0]=3 1191 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [0,1,0,0,0,0|2,0,1]=4 1192 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [0,1,0,0,0,0|2,0,1]=4 1193 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [0,1,0,0,0,0|1,0,2]=4 1194 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [0,1,0,0,0,0|1,0,2]=4 1195 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [0,1,0,0,0,0|2,0,1]=4 1196 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [0,1,0,0,0,0|2,0,1]=4 1197 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [0,1,0,0,0,0|2,0,1]=4 1198 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [0,1,0,0,0,0|2,0,1]=4 1199 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [0,1,0,0,0,0|2,0,1]=4 1200 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [0,1,0,0,0,0|2,0,1]=4 1201 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [0,1,0,0,0,0|2,0,1]=4 1202 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [0,1,0,0,0,0|2,0,1]=4 1203 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [0,1,0,0,0,0|2,0,1]=4 1204 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [0,1,0,0,0,0|2,0,1]=4 1205 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [0,1,0,0,0,0|2,0,1]=4 1206 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [0,1,0,0,0,0|2,0,1]=4 1207 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [0,1,0,0,0,0|2,0,1]=4 1208 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [0,1,0,0,0,0|2,0,1]=4 1209 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [0,1,0,0,0,0|2,0,1]=4 1210 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [0,1,0,0,0,0|2,0,1]=4 1211 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [0,1,0,0,0,0|2,0,1]=4 1212 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [0,1,0,0,0,0|2,0,1]=4 1213 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [0,1,0,0,0,0|2,0,1]=4 1214 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [0,1,0,0,0,0|2,0,1]=4 1215 B9R0.2 CCSCCNCC(C)O 2230a_100000106463_100011218427 [0,1,0,0,0,0|2,0,1]=4 1216 B9R0.2 CCSCCNCC(C)O 2230a_100000210904_100000757381 [0,1,0,0,0,0|2,0,1]=4 1217 B9R0.2 CCSCCNCC(C)O 34a_100000210904_100000757381 [0,1,0,0,0,0|2,0,1]=4 1218 B9R0.2 CCSCCNC[C@@H](C)O 2230a_100000106463_100009817552 [0,1,0,0,0,0|2,0,1]=4 1219 B9R0.2 CCSCCOCC(C)O 34a_100000212035_100011218427 [0,1,0,0,0,0|2,0,1]=4 1220 B9R0.2 CCSCCOCC(C)O 7a_100000212035_100011218427 [0,1,0,0,0,0|2,0,1]=4 1221 B9R0.2 CCSCCOC[C@@H](C)O 34a_100000212035_100009817552 [0,1,0,0,0,0|2,0,1]=4 1222 B9R0.2 CCSCCOC[C@@H](C)O 7a_100000212035_100009817552 [0,1,0,0,0,0|2,0,1]=4 1223 B9R0.2 CCSCCSCC(C)O 62a_100000757381_100011218427 [0,1,0,0,0,0|2,0,1]=4 1224 B9R0.2 CCSCCSCC(C)O 62a_100011218427_100000757381 [0,1,0,0,0,0|2,0,1]=4 1225 B9R0.2 CCSCCSC[C@@H](C)O 62a_100000757381_100009817552 [0,1,0,0,0,0|2,0,1]=4 1226 B9R0.2 CCSCCSC[C@@H](C)O 62a_100009817552_100000757381 [0,1,0,0,0,0|2,0,1]=4 1227 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [0,1,0,0,0,0|1,0,2]=4 1228 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [0,1,0,0,0,0|1,0,2]=4 1229 B9R0.2 CN(C)CCCSCCO 62a_100000211926_100000757444 [0,1,0,0,0,0|2,0,1]=4 1230 B9R0.2 CNCCC/C=C/B(O)O 2230a_106832991635_200016261450 [0,1,0,0,0,0|2,0,0]=3 1231 B9R0.2 CNCCC/C=C/B(O)O 34a_100102657272_200016261450 [0,1,0,0,0,0|2,0,0]=3 1232 B9R0.2 CNCCC/C=C/B(O)O 7a_106832991635_200016261450 [0,1,0,0,0,0|2,0,0]=3 1233 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [0,1,0,0,0,0|2,0,1]=4 1234 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [0,1,0,0,0,0|2,0,1]=4 1235 B9R0.2 COCCC/C=C/B(O)O 34a_100138415774_200016261450 [0,1,0,0,0,0|2,0,0]=3 1236 B9R0.2 COCCCNCC(C)O 2230a_100000210904_100000740836 [0,1,0,0,0,0|2,0,1]=4 1237 B9R0.2 COCCCNCC(C)O 34a_100000210904_100000740836 [0,1,0,0,0,0|2,0,1]=4 1238 B9R0.2 COCCCNCC(C)O 34a_100150723488_100011218427 [0,1,0,0,0,0|2,0,1]=4 1239 B9R0.2 COCCCNC[C@@H](C)O 34a_100150723488_100009817552 [0,1,0,0,0,0|2,0,1]=4 1240 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [0,1,0,0,0,0|2,0,1]=4 1241 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [0,1,0,0,0,0|2,0,1]=4 1242 B9R0.2 COCCCSCC(C)O 62a_100000709357_100011218427 [0,1,0,0,0,0|2,0,1]=4 1243 B9R0.2 COCCCSCC(C)O 62a_100011218427_100000709357 [0,1,0,0,0,0|2,0,1]=4 1244 B9R0.2 COCCCSC[C@@H](C)O 62a_100000709357_100009817552 [0,1,0,0,0,0|2,0,1]=4 1245 B9R0.2 COCCCSC[C@@H](C)O 62a_100009817552_100000709357 [0,1,0,0,0,0|2,0,1]=4 1246 B9R0.2 COCSC/C=C/B(O)O 62a_100000766300_100016262062 [0,1,0,0,0,0|3,0,0]=4 1247 B9R0.2 COCSC/C=C/B(O)O 62a_100016262062_100000766300 [0,1,0,0,0,0|3,0,0]=4 1248 B9R0.2 CS(=O)CCCNCCO 2230a_200000753449_100000211926 [0,1,0,0,0,0|2,0,1]=4 1249 B9R0.2 CSCCC/C=C/B(O)O 62a_200000210301_200016261450 [0,1,0,0,0,0|2,0,0]=3 1250 B9R0.2 CSCCC/C=C/B(O)O 62a_200016261450_200000210301 [0,1,0,0,0,0|2,0,0]=3 1251 B9R0.2 CSCCCNCC(C)O 2230a_100000749238_100011218427 [0,1,0,0,0,0|2,0,1]=4 1252 B9R0.2 CSCCCNC[C@@H](C)O 2230a_100000749238_100009817552 [0,1,0,0,0,0|2,0,1]=4 1253 B9R0.2 CSCCCOCC(C)O 34a_100000690336_100011218427 [0,1,0,0,0,0|2,0,1]=4 1254 B9R0.2 CSCCCOCC(C)O 7a_100000690336_100011218427 [0,1,0,0,0,0|2,0,1]=4 1255 B9R0.2 CSCCCOC[C@@H](C)O 34a_100000690336_100009817552 [0,1,0,0,0,0|2,0,1]=4 1256 B9R0.2 CSCCCOC[C@@H](C)O 7a_100000690336_100009817552 [0,1,0,0,0,0|2,0,1]=4 1257 B9R0.2 CSCSC/C=C/B(O)O 62a_100011218213_100016262062 [0,1,0,0,0,0|3,0,0]=4 1258 B9R0.2 CSCSC/C=C/B(O)O 62a_100016262062_100011218213 [0,1,0,0,0,0|3,0,0]=4 1259 B9R0.2 C[C@@H](Cl)COCC#CCO 34a_100016084084_200000047223 [0,1,0,0,0,0|1,0,2]=4 1260 B9R0.2 C[C@@H](Cl)COCCCCO 34a_100016084084_100011216708 [0,1,0,0,0,0|1,0,2]=4 1261 B9R0.2 C[C@@H](N)CCOCCCO 34a_100000706166_100000230001 [0,1,0,0,0,0|1,0,2]=4 1262 B9R0.2 C[C@@H](N)COCC#CCO 34a_100000737577_200000047223 [0,1,0,0,0,0|1,0,2]=4 1263 B9R0.2 C[C@@H](N)COCCCCO 34a_100000737577_100011216708 [0,1,0,0,0,0|1,0,2]=4 1264 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [0,1,0,0,0,0|1,0,2]=4 1265 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [0,1,0,0,0,0|1,0,2]=4 1266 B9R0.2 C[C@@H](O)COCCCCBr 34a_100011216708_100009817552 [0,1,0,0,0,0|2,0,1]=4 1267 B9R0.2 C[C@@H](O)COCCCCCl 34a_100000210776_100009817552 [0,1,0,0,0,0|2,0,1]=4 1268 B9R0.2 C[C@@H](O)COCCCCCl 7a_100000210776_100009817552 [0,1,0,0,0,0|2,0,1]=4 1269 B9R0.2 C[C@@H](O)COCCCCF 34a_100011995726_100009817552 [0,1,0,0,0,0|2,0,1]=4 1270 B9R0.2 C[C@@H](O)COCCCCF 7a_100011995726_100009817552 [0,1,0,0,0,0|2,0,1]=4 1271 B9R0.2 C[C@@H](O)COCCCCI 34a_200012148704_100009817552 [0,1,0,0,0,0|2,0,1]=4 1272 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [0,1,0,0,0,0|2,0,1]=4 1273 B9R0.2 C[C@@H](O)CSCC#CCO 62a_100009817552_200000047223 [0,1,0,0,0,0|1,0,2]=4 1274 B9R0.2 C[C@@H](O)CSCC#CCO 62a_200000047223_100009817552 [0,1,0,0,0,0|1,0,2]=4 1275 B9R0.2 C[C@@H](O)CSCCCCF 62a_100000729493_100009817552 [0,1,0,0,0,0|2,0,1]=4 1276 B9R0.2 C[C@@H](O)CSCCCCF 62a_100009817552_100000729493 [0,1,0,0,0,0|2,0,1]=4 1277 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [0,1,0,0,0,0|1,0,2]=4 1278 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [0,1,0,0,0,0|1,0,2]=4 1279 B9R0.2 NCCOC/C=C/B(O)O 34a_100000210304_100016262062 [0,1,0,0,0,0|3,0,0]=4 1280 B9R0.2 OB(O)/C=C/CNCCF 34a_100000724931_100016262062 [0,1,0,0,0,0|3,0,0]=4 1281 B9R0.2 OB(O)/C=C/COCCBr 34a_100000211926_100016262062 [0,1,0,0,0,0|3,0,0]=4 1282 B9R0.2 OB(O)/C=C/CSCCF 62a_100011217306_100016262062 [0,1,0,0,0,0|3,0,0]=4 1283 B9R0.2 OB(O)/C=C/CSCCF 62a_100016262062_100011217306 [0,1,0,0,0,0|3,0,0]=4 1284 B9R0.2 OCCNC/C=C/B(O)O 2230a_100016997473_100016262062 [0,1,0,0,0,0|3,0,0]=4 1285 B9R0.2 OCCNC/C=C/B(O)O 34a_100016990907_100016262062 [0,1,0,0,0,0|3,0,0]=4 1286 B9R0.2 OCCSC/C=C/B(O)O 62a_100000211926_100016262062 [0,1,0,0,0,0|3,0,0]=4 1287 B9R0.2 OCCSC/C=C/B(O)O 62a_100016262062_100000211926 [0,1,0,0,0,0|3,0,0]=4 1288 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,1,0,0,0,0|0,0,3]=4 1289 B9R0.2 [13CH3]SCCC/C=C/B(O)O 62a_200016261450_200025704644 [0,1,0,0,0,0|2,0,0]=3 1290 B9R0.2 [13CH3]SCCC/C=C/B(O)O 62a_200025704644_200016261450 [0,1,0,0,0,0|2,0,0]=3 1291 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [0,1,0,0,0,0|1,0,2]=4 1292 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [0,1,0,0,0,0|1,0,2]=4 1293 B9R0.5 C#CCCCC(=O)CCO 1458a_100000690238_100000211926 [0,1,0,0,0,0|0,0,3]=4 1294 B9R0.5 C#CCCCC(=O)CCO 1458a_100011216618_100000731252 [0,1,0,0,0,0|0,0,3]=4 1295 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,1,0,0,0,0|1,0,2]=4 1296 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,1,0,0,0,0|1,0,2]=4 1297 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [0,1,0,0,0,0|0,0,3]=4 1298 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [0,1,0,0,0,0|0,0,3]=4 1299 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [0,1,0,0,0,0|1,0,2]=4 1300 B9R0.5 CC(CCN)COCCO 34a_106354213184_100000211926 [0,1,0,0,0,0|2,0,1]=4 1301 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,1,0,0,0,0|1,0,1]=3 1302 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [0,1,0,0,0,0|2,0,1]=4 1303 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [0,1,0,0,0,0|0,0,3]=4 1304 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,1,0,0,0,0|2,0,1]=4 1305 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,1,0,0,0,0|2,0,1]=4 1306 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,1,0,0,0,0|2,0,1]=4 1307 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,1,0,0,0,0|1,0,1]=3 1308 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [0,1,0,0,0,0|0,0,3]=4 1309 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,1,0,0,0,0|2,0,1]=4 1310 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [0,1,0,0,0,0|2,0,1]=4 1311 B9R0.5 CC/C=C\CN(C)CCC 2230a_100000747261_100103147603 [0,1,0,0,0,0|2,0,0]=3 1312 B9R0.5 CC/C=C\CN(C)CCC 269982a_100000747261_100103147603 [0,1,0,0,0,0|2,0,0]=3 1313 B9R0.5 CC/C=C\CN(C)CCO 2230a_100000210263_100103147603 [0,1,0,0,0,0|3,0,0]=4 1314 B9R0.5 CC/C=C\CN(C)CCO 269982a_100000210263_100103147603 [0,1,0,0,0,0|3,0,0]=4 1315 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,1,0,0,0,0|1,0,1]=3 1316 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [0,1,0,0,0,0|2,0,1]=4 1317 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,1,0,0,0,0|2,0,1]=4 1318 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [0,1,0,0,0,0|2,0,1]=4 1319 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,1,0,0,0,0|2,0,1]=4 1320 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,1,0,0,0,0|2,0,1]=4 1321 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [0,1,0,0,0,0|2,0,1]=4 1322 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [0,1,0,0,0,0|2,0,1]=4 1323 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [0,1,0,0,0,0|2,0,1]=4 1324 B9R0.5 CCC#CCC(=O)CCO 1458a_100011216618_100009813939 [0,1,0,0,0,0|0,0,3]=4 1325 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [0,1,0,0,0,0|0,0,3]=4 1326 B9R0.5 CCCC(=O)CC#CCO 1458a_100000211992_200000047223 [0,1,0,0,0,0|0,0,3]=4 1327 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,1,0,0,0,0|2,0,1]=4 1328 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,1,0,0,0,0|0,0,3]=4 1329 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,1,0,0,0,0|0,0,3]=4 1330 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,1,0,0,0,0|2,0,1]=4 1331 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,1,0,0,0,0|2,0,1]=4 1332 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,1,0,0,0,0|2,0,1]=4 1333 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,1,0,0,0,0|2,0,1]=4 1334 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,1,0,0,0,0|2,0,1]=4 1335 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,1,0,0,0,0|2,0,1]=4 1336 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,1,0,0,0,0|2,0,1]=4 1337 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [0,1,0,0,0,0|1,0,2]=4 1338 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,1,0,0,0,0|1,0,2]=4 1339 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,1,0,0,0,0|1,0,2]=4 1340 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,1,0,0,0,0|1,0,2]=4 1341 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [0,1,0,0,0,0|2,0,1]=4 1342 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [0,1,0,0,0,0|2,0,1]=4 1343 B9R0.5 CCCC(C)CCOCF 34a_100011217855_100015361967 [0,1,0,0,0,0|2,0,1]=4 1344 B9R0.5 CCCC(C)CCOCF 7a_100011217855_100015361967 [0,1,0,0,0,0|2,0,1]=4 1345 B9R0.5 CCCC(C)CNCCF 34a_100000724931_100011216630 [0,1,0,0,0,0|2,0,1]=4 1346 B9R0.5 CCCC(C)CNCCO 2230a_100016997473_100011216630 [0,1,0,0,0,0|1,0,1]=3 1347 B9R0.5 CCCC(C)CNCCO 270004a_100000210304_100000243154 [0,1,0,0,0,0|1,0,1]=3 1348 B9R0.5 CCCC(C)CNCCO 34a_100016990907_100011216630 [0,1,0,0,0,0|1,0,1]=3 1349 B9R0.5 CCCC(C)COCCBr 34a_100000211926_100011216630 [0,1,0,0,0,0|2,0,1]=4 1350 B9R0.5 CCCC(C)COCCF 34a_100000688023_100011217306 [0,1,0,0,0,0|2,0,1]=4 1351 B9R0.5 CCCC(C)COCCF 7a_100000688023_100011217306 [0,1,0,0,0,0|2,0,1]=4 1352 B9R0.5 CCCC(C)COCCN 34a_100000210304_100011216630 [0,1,0,0,0,0|2,0,1]=4 1353 B9R0.5 CCCC(C)COCCO 34a_100000688023_100000211926 [0,1,0,0,0,0|1,0,1]=3 1354 B9R0.5 CCCC(C)COCCO 7a_100000688023_100000211926 [0,1,0,0,0,0|1,0,1]=3 1355 B9R0.5 CCCC(C)CSCCF 62a_100011216630_100011217306 [0,1,0,0,0,0|2,0,1]=4 1356 B9R0.5 CCCC(C)CSCCF 62a_100011217306_100011216630 [0,1,0,0,0,0|2,0,1]=4 1357 B9R0.5 CCCC(C)CSCCO 62a_100000211926_100011216630 [0,1,0,0,0,0|1,0,1]=3 1358 B9R0.5 CCCC(C)CSCCO 62a_100011216630_100000211926 [0,1,0,0,0,0|1,0,1]=3 1359 B9R0.5 CCCC(C)NCCCO 2230a_100000741246_100000230001 [0,1,0,0,0,0|1,0,2]=4 1360 B9R0.5 CCCC(C)NCCCO 270004a_100000182051_100000211909 [0,1,0,0,0,0|1,0,2]=4 1361 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [0,1,0,0,0,0|1,0,2]=4 1362 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [0,1,0,0,0,0|1,0,2]=4 1363 B9R0.5 CCCC(C)SCCCO 62a_100000766640_100011215043 [0,1,0,0,0,0|1,0,2]=4 1364 B9R0.5 CCCC(C)SCCCO 62a_100011215043_100000766640 [0,1,0,0,0,0|1,0,2]=4 1365 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,1,0,0,0,0|0,0,3]=4 1366 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [0,1,0,0,0,0|1,0,1]=3 1367 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [0,1,0,0,0,0|1,0,1]=3 1368 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [0,1,0,0,0,0|1,0,1]=3 1369 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [0,1,0,0,0,0|1,0,2]=4 1370 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [0,1,0,0,0,0|1,0,2]=4 1371 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,1,0,0,0,0|1,0,1]=3 1372 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,1,0,0,0,0|1,0,1]=3 1373 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,1,0,0,0,0|1,0,1]=3 1374 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,1,0,0,0,0|0,0,1]=2 1375 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,1,0,0,0,0|0,0,1]=2 1376 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,1,0,0,0,0|2,0,1]=4 1377 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,1,0,0,0,0|2,0,1]=4 1378 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,1,0,0,0,0|2,0,1]=4 1379 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,1,0,0,0,0|2,0,1]=4 1380 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,1,0,0,0,0|2,0,1]=4 1381 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,1,0,0,0,0|2,0,1]=4 1382 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,1,0,0,0,0|2,0,1]=4 1383 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,1,0,0,0,0|2,0,1]=4 1384 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,1,0,0,0,0|2,0,1]=4 1385 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,1,0,0,0,0|2,0,1]=4 1386 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,1,0,0,0,0|2,0,0]=3 1387 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,1,0,0,0,0|2,0,0]=3 1388 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,1,0,0,0,0|2,0,0]=3 1389 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [0,1,0,0,0,0|3,0,0]=4 1390 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [0,1,0,0,0,0|2,0,1]=4 1391 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [0,1,0,0,0,0|2,0,1]=4 1392 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [0,1,0,0,0,0|2,0,1]=4 1393 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [0,1,0,0,0,0|2,0,1]=4 1394 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [0,1,0,0,0,0|2,0,1]=4 1395 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [0,1,0,0,0,0|2,0,1]=4 1396 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [0,1,0,0,0,0|2,0,1]=4 1397 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [0,1,0,0,0,0|2,0,1]=4 1398 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [0,1,0,0,0,0|2,0,1]=4 1399 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [0,1,0,0,0,0|2,0,1]=4 1400 B9R0.5 CCCCCC(C)SCF 62a_100015361967_200011218191 [0,1,0,0,0,0|2,0,1]=4 1401 B9R0.5 CCCCCC(C)SCF 62a_200011218191_100015361967 [0,1,0,0,0,0|2,0,1]=4 1402 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [0,1,0,0,0,0|2,0,1]=4 1403 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [0,1,0,0,0,0|2,0,1]=4 1404 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [0,1,0,0,0,0|2,0,1]=4 1405 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [0,1,0,0,0,0|2,0,1]=4 1406 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [0,1,0,0,0,0|2,0,1]=4 1407 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [0,1,0,0,0,0|2,0,1]=4 1408 B9R0.5 CCCCCN(C)CCF 2230a_100000223495_100011217306 [0,1,0,0,0,0|2,0,1]=4 1409 B9R0.5 CCCCCN(C)CCF 269982a_100000223495_100011217306 [0,1,0,0,0,0|2,0,1]=4 1410 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [0,1,0,0,0,0|1,0,1]=3 1411 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [0,1,0,0,0,0|1,0,1]=3 1412 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [0,1,0,0,0,0|1,0,1]=3 1413 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [0,1,0,0,0,0|1,0,1]=3 1414 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [0,1,0,0,0,0|1,0,1]=3 1415 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [0,1,0,0,0,0|1,0,1]=3 1416 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [0,1,0,0,0,0|2,0,1]=4 1417 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [0,1,0,0,0,0|2,0,1]=4 1418 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [0,1,0,0,0,0|1,0,1]=3 1419 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [0,1,0,0,0,0|1,0,1]=3 1420 B9R0.5 CCCCNC(=O)C=CBr 1626a_100000102301_100016273825 [0,1,0,0,0,0|2,0,1]=4 1421 B9R0.5 CCCCNC(=O)C=CBr 240690a_100000102301_100016273825 [0,1,0,0,0,0|2,0,1]=4 1422 B9R0.5 CCCCNC(=O)C=CCl 11a_100000102301_200016279998 [0,1,0,0,0,0|2,0,1]=4 1423 B9R0.5 CCCCNC(=O)C=CCl 1626a_100000102301_200016279998 [0,1,0,0,0,0|2,0,1]=4 1424 B9R0.5 CCCCNC(=O)C=CCl 240690a_100000102301_200016279998 [0,1,0,0,0,0|2,0,1]=4 1425 B9R0.5 CCCCNC(=O)C=CI 1626a_100000102301_100016256311 [0,1,0,0,0,0|2,0,1]=4 1426 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,1,0,0,0,0|2,0,1]=4 1427 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,1,0,0,0,0|2,0,1]=4 1428 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,1,0,0,0,0|2,0,1]=4 1429 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,1,0,0,0,0|2,0,1]=4 1430 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,1,0,0,0,0|1,0,1]=3 1431 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,1,0,0,0,0|3,0,0]=4 1432 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,1,0,0,0,0|3,0,0]=4 1433 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,1,0,0,0,0|3,0,0]=4 1434 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,1,0,0,0,0|3,0,0]=4 1435 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,1,0,0,0,0|3,0,0]=4 1436 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,1,0,0,0,0|3,0,0]=4 1437 B9R0.5 CCCCNC(C)CCO 2230a_100000102301_100009893172 [0,1,0,0,0,0|1,0,2]=4 1438 B9R0.5 CCCCNC(C)CCO 7a_106832991798_100009893172 [0,1,0,0,0,0|1,0,2]=4 1439 B9R0.5 CCCCN[C@H](C)CCO 2230a_100000706166_100000210211 [0,1,0,0,0,0|1,0,2]=4 1440 B9R0.5 CCCCN[C@H](C)CCO 34a_100000706166_100000210210 [0,1,0,0,0,0|1,0,2]=4 1441 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [0,1,0,0,0,0|1,0,2]=4 1442 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [0,1,0,0,0,0|1,0,2]=4 1443 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [0,1,0,0,0,0|1,0,2]=4 1444 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [0,1,0,0,0,0|1,0,2]=4 1445 B9R0.5 CCCN(C)CC#CCO 2230a_100000747261_200000047223 [0,1,0,0,0,0|1,0,2]=4 1446 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [0,1,0,0,0,0|1,0,2]=4 1447 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [0,1,0,0,0,0|1,0,2]=4 1448 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [0,1,0,0,0,0|1,0,2]=4 1449 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [0,1,0,0,0,0|1,0,2]=4 1450 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,1,0,0,0,0|3,0,0]=4 1451 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [0,1,0,0,0,0|2,0,1]=4 1452 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [0,1,0,0,0,0|2,0,1]=4 1453 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,1,0,0,0,0|2,0,1]=4 1454 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,1,0,0,0,0|2,0,1]=4 1455 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,1,0,0,0,0|1,0,1]=3 1456 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,1,0,0,0,0|3,0,0]=4 1457 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,1,0,0,0,0|3,0,0]=4 1458 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,1,0,0,0,0|3,0,0]=4 1459 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,1,0,0,0,0|3,0,0]=4 1460 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [0,1,0,0,0,0|2,0,0]=3 1461 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,1,0,0,0,0|3,0,0]=4 1462 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [0,1,0,0,0,0|2,0,1]=4 1463 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [0,1,0,0,0,0|2,0,1]=4 1464 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [0,1,0,0,0,0|2,0,1]=4 1465 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [0,1,0,0,0,0|2,0,1]=4 1466 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,1,0,0,0,0|2,0,1]=4 1467 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,1,0,0,0,0|2,0,1]=4 1468 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,1,0,0,0,0|2,0,1]=4 1469 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,1,0,0,0,0|2,0,1]=4 1470 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,1,0,0,0,0|1,0,1]=3 1471 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,1,0,0,0,0|3,0,0]=4 1472 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,1,0,0,0,0|3,0,0]=4 1473 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,1,0,0,0,0|3,0,0]=4 1474 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,1,0,0,0,0|3,0,0]=4 1475 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,1,0,0,0,0|3,0,0]=4 1476 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [0,1,0,0,0,0|2,0,0]=3 1477 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [0,1,0,0,0,0|2,0,0]=3 1478 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,1,0,0,0,0|3,0,0]=4 1479 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,1,0,0,0,0|3,0,0]=4 1480 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [0,1,0,0,0,0|2,0,1]=4 1481 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [0,1,0,0,0,0|2,0,1]=4 1482 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [0,1,0,0,0,0|2,0,1]=4 1483 B9R0.5 CCC[C@H](N)CCOCF 34a_100015193777_100015361967 [0,1,0,0,0,0|2,0,1]=4 1484 B9R0.5 CCC[C@H](N)COCCF 34a_100000732646_100011217306 [0,1,0,0,0,0|2,0,1]=4 1485 B9R0.5 CCC[C@H](N)COCCO 34a_100000732646_100000211926 [0,1,0,0,0,0|1,0,1]=3 1486 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,1,0,0,0,0|3,0,0]=4 1487 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,1,0,0,0,0|3,0,0]=4 1488 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,1,0,0,0,0|3,0,0]=4 1489 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,1,0,0,0,0|3,0,0]=4 1490 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,1,0,0,0,0|3,0,0]=4 1491 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,1,0,0,0,0|3,0,0]=4 1492 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,1,0,0,0,0|3,0,0]=4 1493 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,1,0,0,0,0|3,0,0]=4 1494 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,1,0,0,0,0|3,0,0]=4 1495 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,1,0,0,0,0|3,0,0]=4 1496 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,1,0,0,0,0|3,0,0]=4 1497 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,1,0,0,0,0|3,0,0]=4 1498 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,1,0,0,0,0|3,0,0]=4 1499 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,1,0,0,0,0|3,0,0]=4 1500 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,1,0,0,0,0|3,0,0]=4 1501 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,1,0,0,0,0|3,0,0]=4 1502 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,1,0,0,0,0|3,0,0]=4 1503 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,1,0,0,0,0|3,0,0]=4 1504 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,1,0,0,0,0|3,0,0]=4 1505 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,1,0,0,0,0|3,0,0]=4 1506 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,1,0,0,0,0|3,0,0]=4 1507 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,1,0,0,0,0|3,0,0]=4 1508 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,1,0,0,0,0|3,0,0]=4 1509 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,1,0,0,0,0|3,0,0]=4 1510 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,1,0,0,0,0|3,0,0]=4 1511 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,1,0,0,0,0|3,0,0]=4 1512 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,1,0,0,0,0|3,0,0]=4 1513 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,1,0,0,0,0|3,0,0]=4 1514 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,1,0,0,0,0|3,0,0]=4 1515 B9R0.5 CCOCCC(=O)C=CBr 1458a_100016273825_100011215890 [0,1,0,0,0,0|2,0,1]=4 1516 B9R0.5 CCOCCC(=O)C=CCl 1458a_200016279998_100011215890 [0,1,0,0,0,0|2,0,1]=4 1517 B9R0.5 CCOCCC(=O)C=CI 1458a_100016256311_100011215890 [0,1,0,0,0,0|2,0,1]=4 1518 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [0,1,0,0,0,0|2,0,1]=4 1519 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,1,0,0,0,0|1,0,1]=3 1520 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,1,0,0,0,0|1,0,1]=3 1521 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,1,0,0,0,0|3,0,0]=4 1522 B9R0.5 CCOCCN(C)CCO 2230a_100000210263_100011215890 [0,1,0,0,0,0|2,0,1]=4 1523 B9R0.5 CCOCCN(C)CCO 269982a_100000210263_100011215890 [0,1,0,0,0,0|2,0,1]=4 1524 B9R0.5 CCSCCC(=O)C=CBr 1458a_100016273825_100000757381 [0,1,0,0,0,0|2,0,1]=4 1525 B9R0.5 CCSCCC(=O)C=CCl 1458a_200016279998_100000757381 [0,1,0,0,0,0|2,0,1]=4 1526 B9R0.5 CCSCCC(=O)C=CI 1458a_100016256311_100000757381 [0,1,0,0,0,0|2,0,1]=4 1527 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [0,1,0,0,0,0|2,0,1]=4 1528 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,1,0,0,0,0|1,0,1]=3 1529 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,1,0,0,0,0|1,0,1]=3 1530 B9R0.5 CCSCCN(C)CCO 2230a_100000210263_100000757381 [0,1,0,0,0,0|2,0,1]=4 1531 B9R0.5 CCSCCN(C)CCO 269982a_100000210263_100000757381 [0,1,0,0,0,0|2,0,1]=4 1532 B9R0.5 CN(CCO)CCCCF 2230a_100000210263_100000729493 [0,1,0,0,0,0|2,0,1]=4 1533 B9R0.5 CN(CCO)CCCCF 269982a_100000210263_100000729493 [0,1,0,0,0,0|2,0,1]=4 1534 B9R0.5 CN(CCO)CCCCO 2230a_100000210263_100000210776 [0,1,0,0,0,0|2,0,1]=4 1535 B9R0.5 CN(CCO)CCCCO 2230a_100000717598_100000211926 [0,1,0,0,0,0|2,0,1]=4 1536 B9R0.5 CN(CCO)CCCCO 269982a_100000210263_100000210776 [0,1,0,0,0,0|2,0,1]=4 1537 B9R0.5 CN(CCO)CCCCO 269982a_100000717598_100000211926 [0,1,0,0,0,0|2,0,1]=4 1538 B9R0.5 COCC(N)COCCO 34a_100000724102_100000211926 [0,1,0,0,0,0|2,0,1]=4 1539 B9R0.5 COCC(O)CNCCO 2230a_100000756049_100000211926 [0,1,0,0,0,0|2,0,1]=4 1540 B9R0.5 COCC(O)CNCCO 34a_100000756049_100000211926 [0,1,0,0,0,0|2,0,1]=4 1541 B9R0.5 COCC(O)CNCCO 34a_100016990907_100011215053 [0,1,0,0,0,0|2,0,1]=4 1542 B9R0.5 COCC(O)CSCCO 62a_100000211926_100011215053 [0,1,0,0,0,0|2,0,1]=4 1543 B9R0.5 COCC(O)CSCCO 62a_100011215053_100000211926 [0,1,0,0,0,0|2,0,1]=4 1544 B9R0.5 COCCCC(=O)C=CBr 1458a_100016273825_100000740836 [0,1,0,0,0,0|2,0,1]=4 1545 B9R0.5 COCCCC(=O)C=CCl 1458a_200016279998_100000740836 [0,1,0,0,0,0|2,0,1]=4 1546 B9R0.5 COCCCC(=O)C=CI 1458a_100016256311_100000740836 [0,1,0,0,0,0|2,0,1]=4 1547 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [0,1,0,0,0,0|2,0,1]=4 1548 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,1,0,0,0,0|1,0,1]=3 1549 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,1,0,0,0,0|1,0,1]=3 1550 B9R0.5 COCCCN(C)CCO 2230a_100000210263_100000740836 [0,1,0,0,0,0|2,0,1]=4 1551 B9R0.5 COCCCN(C)CCO 2230a_100000224831_100000211926 [0,1,0,0,0,0|2,0,1]=4 1552 B9R0.5 COCCCN(C)CCO 269982a_100000210263_100000740836 [0,1,0,0,0,0|2,0,1]=4 1553 B9R0.5 COCCCN(C)CCO 269982a_100000224831_100000211926 [0,1,0,0,0,0|2,0,1]=4 1554 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [0,1,0,0,0,0|2,0,1]=4 1555 B9R0.5 COCSCC(=O)NCO 62a_100000185155_100000766300 [0,1,0,0,0,0|3,0,0]=4 1556 B9R0.5 COCSCC(=O)NCO 62a_100000766300_100000185155 [0,1,0,0,0,0|3,0,0]=4 1557 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [0,1,0,0,0,0|2,0,1]=4 1558 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [0,1,0,0,0,0|1,0,1]=3 1559 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [0,1,0,0,0,0|2,0,1]=4 1560 B9R0.5 CSCSCC(=O)NCO 62a_100000185155_100011218213 [0,1,0,0,0,0|3,0,0]=4 1561 B9R0.5 CSCSCC(=O)NCO 62a_100011218213_100000185155 [0,1,0,0,0,0|3,0,0]=4 1562 B9R0.5 N#CCCCC(=O)CCO 1458a_100000075515_100000211926 [0,1,0,0,0,0|1,0,2]=4 1563 B9R0.5 N#CCCCC(=O)CCO 1458a_100011216618_100000211468 [0,1,0,0,0,0|1,0,2]=4 1564 B9R0.5 NCCOCC(=O)NCO 34a_100000210304_100000185155 [0,1,0,0,0,0|3,0,0]=4 1565 B9R0.5 O=C(C=CBr)CCCCF 1458a_100016273825_100000729493 [0,1,0,0,0,0|2,0,1]=4 1566 B9R0.5 O=C(C=CBr)CCCCO 1458a_100016273825_100000210776 [0,1,0,0,0,0|2,0,1]=4 1567 B9R0.5 O=C(C=CCl)CCCCF 1458a_200016279998_100000729493 [0,1,0,0,0,0|2,0,1]=4 1568 B9R0.5 O=C(C=CCl)CCCCO 1458a_200016279998_100000210776 [0,1,0,0,0,0|2,0,1]=4 1569 B9R0.5 O=C(C=CI)CCCCF 1458a_100016256311_100000729493 [0,1,0,0,0,0|2,0,1]=4 1570 B9R0.5 O=C(C=CI)CCCCO 1458a_100016256311_100000210776 [0,1,0,0,0,0|2,0,1]=4 1571 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,1,0,0,0,0|2,0,1]=4 1572 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,1,0,0,0,0|1,0,1]=3 1573 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,1,0,0,0,0|1,0,1]=3 1574 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,1,0,0,0,0|1,0,1]=3 1575 B9R0.5 O=C(CCO)COCCO 1458a_100000708028_100000211926 [0,1,0,0,0,0|2,0,1]=4 1576 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [0,1,0,0,0,0|2,0,1]=4 1577 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [0,1,0,0,0,0|2,0,1]=4 1578 B9R0.5 O=C(CNCCF)NCO 34a_100000724931_100000185155 [0,1,0,0,0,0|3,0,0]=4 1579 B9R0.5 O=C(CNCCO)NCO 2230a_100016997473_100000185155 [0,1,0,0,0,0|3,0,0]=4 1580 B9R0.5 O=C(CNCCO)NCO 34a_100016990907_100000185155 [0,1,0,0,0,0|3,0,0]=4 1581 B9R0.5 O=C(COCCBr)NCO 34a_100000211926_100000185155 [0,1,0,0,0,0|3,0,0]=4 1582 B9R0.5 O=C(CSCCF)NCO 62a_100000185155_100011217306 [0,1,0,0,0,0|3,0,0]=4 1583 B9R0.5 O=C(CSCCF)NCO 62a_100011217306_100000185155 [0,1,0,0,0,0|3,0,0]=4 1584 B9R0.5 O=C(CSCCO)NCO 62a_100000185155_100000211926 [0,1,0,0,0,0|3,0,0]=4 1585 B9R0.5 O=C(CSCCO)NCO 62a_100000211926_100000185155 [0,1,0,0,0,0|3,0,0]=4 1586 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [0,1,0,0,0,0|1,0,2]=4 1587 B9R0.18 CC(CCCCl)OCCO 34a_200000718107_100000211926 [0,1,0,0,0,0|2,0,1]=4 1588 B9R0.18 CC(CCCCl)OCCO 7a_200000718107_100000211926 [0,1,0,0,0,0|2,0,1]=4 1589 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [0,1,0,0,0,0|1,0,1]=3 1590 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [0,1,0,0,0,0|2,0,1]=4 1591 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [0,1,0,0,0,0|2,0,1]=4 1592 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [0,1,0,0,0,0|2,0,1]=4 1593 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [0,1,0,0,0,0|2,0,1]=4 1594 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [0,1,0,0,0,0|2,0,1]=4 1595 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [0,1,0,0,0,0|2,0,1]=4 1596 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [0,1,0,0,0,0|2,0,1]=4 1597 B9R0.18 CCCCC(=O)C#CCO 1458a_100000049017_100000210211 [0,1,0,0,0,0|0,0,3]=4 1598 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [0,1,0,0,0,0|2,0,1]=4 1599 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [0,1,0,0,0,0|0,0,3]=4 1600 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [0,1,0,0,0,0|1,0,2]=4 1601 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [0,1,0,0,0,0|1,0,2]=4 1602 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [0,1,0,0,0,0|2,0,1]=4 1603 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [0,1,0,0,0,0|2,0,1]=4 1604 B9R0.18 CCCCC(C)COCF 34a_100011995851_100015361967 [0,1,0,0,0,0|2,0,1]=4 1605 B9R0.18 CCCCC(C)COCF 7a_100011995851_100015361967 [0,1,0,0,0,0|2,0,1]=4 1606 B9R0.18 CCCCC(C)NCCC 2230a_100000126638_100000210303 [0,1,0,0,0,0|2,0,1]=4 1607 B9R0.18 CCCCC(C)NCCC 270004a_100020643023_100000210087 [0,1,0,0,0,0|2,0,1]=4 1608 B9R0.18 CCCCC(C)NCCF 2230a_100000126638_100011217306 [0,1,0,0,0,0|2,0,1]=4 1609 B9R0.18 CCCCC(C)NCCF 34a_100000724931_200011215066 [0,1,0,0,0,0|2,0,1]=4 1610 B9R0.18 CCCCC(C)NCCO 2230a_100000126638_100000211926 [0,1,0,0,0,0|1,0,1]=3 1611 B9R0.18 CCCCC(C)NCCO 2230a_100016997473_200011215066 [0,1,0,0,0,0|1,0,1]=3 1612 B9R0.18 CCCCC(C)NCCO 270004a_100000210304_100000210087 [0,1,0,0,0,0|1,0,1]=3 1613 B9R0.18 CCCCC(C)NCCO 34a_100016990907_200011215066 [0,1,0,0,0,0|1,0,1]=3 1614 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [0,1,0,0,0,0|2,0,1]=4 1615 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [0,1,0,0,0,0|2,0,1]=4 1616 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [0,1,0,0,0,0|2,0,1]=4 1617 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [0,1,0,0,0,0|2,0,1]=4 1618 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [0,1,0,0,0,0|2,0,1]=4 1619 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [0,1,0,0,0,0|2,0,1]=4 1620 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [0,1,0,0,0,0|2,0,1]=4 1621 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [0,1,0,0,0,0|1,0,1]=3 1622 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [0,1,0,0,0,0|1,0,1]=3 1623 B9R0.18 CCCCC(C)SCCC 62a_100000210303_200011215066 [0,1,0,0,0,0|2,0,1]=4 1624 B9R0.18 CCCCC(C)SCCC 62a_200011215066_100000210303 [0,1,0,0,0,0|2,0,1]=4 1625 B9R0.18 CCCCC(C)SCCF 62a_100011217306_200011215066 [0,1,0,0,0,0|2,0,1]=4 1626 B9R0.18 CCCCC(C)SCCF 62a_200011215066_100011217306 [0,1,0,0,0,0|2,0,1]=4 1627 B9R0.18 CCCCC(C)SCCO 62a_100000211926_200011215066 [0,1,0,0,0,0|1,0,1]=3 1628 B9R0.18 CCCCC(C)SCCO 62a_200011215066_100000211926 [0,1,0,0,0,0|1,0,1]=3 1629 B9R0.18 CCCCN(C)CCCO 2230a_100000207549_100000230001 [0,1,0,0,0,0|1,0,2]=4 1630 B9R0.18 CCCCN(C)CCCO 2230a_100000213112_100000210211 [0,1,0,0,0,0|1,0,2]=4 1631 B9R0.18 CCCCN(C)CCCO 269982a_100000207549_100011215043 [0,1,0,0,0,0|1,0,2]=4 1632 B9R0.18 CCCCN(C)CCCO 269982a_100000213112_100000210211 [0,1,0,0,0,0|1,0,2]=4 1633 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [0,1,0,0,0,0|2,0,1]=4 1634 B9R0.18 CCCC[C@H](N)COCF 34a_100011934283_100015361967 [0,1,0,0,0,0|2,0,1]=4 1635 B9R0.18 CCNC[C@H](C)CCCO 2230a_100160569302_100000210202 [0,1,0,0,0,0|1,0,2]=4 1636 B9R0.18 CCNC[C@H](C)CCCO 34a_100160569302_100000210202 [0,1,0,0,0,0|1,0,2]=4 1637 B9R0.18 CCOCC(C)OCCO 34a_100000718985_100000211926 [0,1,0,0,0,0|2,0,1]=4 1638 B9R0.18 CCOCC(C)OCCO 7a_100000718985_100000211926 [0,1,0,0,0,0|2,0,1]=4 1639 B9R0.18 CCSCC(C)NCCO 270004a_100000210304_200011216171 [0,1,0,0,0,0|2,0,1]=4 1640 B9R0.18 COCCC(C)NCCO 270004a_100000210304_100000742357 [0,1,0,0,0,0|2,0,1]=4 1641 B9R0.18 CSCCC(C)NCCO 270004a_100000210304_100011217047 [0,1,0,0,0,0|2,0,1]=4 1642 B9R0.45 C#CCCCCNCCO 2230a_100000706060_100000211926 [0,1,0,0,0,0|1,0,2]=4 1643 B9R0.45 C#CCCCCNCCO 2230a_100016997473_100010269958 [0,1,0,0,0,0|1,0,2]=4 1644 B9R0.45 C#CCCCCNCCO 34a_100000706060_100000211926 [0,1,0,0,0,0|1,0,2]=4 1645 B9R0.45 C#CCCCCNCCO 34a_100016990907_100010269958 [0,1,0,0,0,0|1,0,2]=4 1646 B9R0.45 C#CCCCCOCCO 34a_100000766709_100000211926 [0,1,0,0,0,0|1,0,2]=4 1647 B9R0.45 C#CCCCCOCCO 7a_100000766709_100000211926 [0,1,0,0,0,0|1,0,2]=4 1648 B9R0.45 C#CCCCCSCCO 62a_100000211926_100010269958 [0,1,0,0,0,0|1,0,2]=4 1649 B9R0.45 C#CCCCCSCCO 62a_100010269958_100000211926 [0,1,0,0,0,0|1,0,2]=4 1650 B9R0.45 C#CCCNC/C=C\CC 34a_100000755551_100103147603 [0,1,0,0,0,0|1,0,2]=4 1651 B9R0.45 C#CCCNCCCCC 2230a_100000209983_100000688953 [0,1,0,0,0,0|2,0,1]=4 1652 B9R0.45 C#CCCNCCCCC 34a_100000755551_100000718602 [0,1,0,0,0,0|2,0,1]=4 1653 B9R0.45 C#CCCOC/C=C\CC 34a_100011215631_100103147603 [0,1,0,0,0,0|1,0,2]=4 1654 B9R0.45 C#CCCOC/C=C\CC 34a_100016268518_100000688953 [0,1,0,0,0,0|1,0,2]=4 1655 B9R0.45 C#CCCOCCCCC 34a_100000210253_100000688953 [0,1,0,0,0,0|2,0,1]=4 1656 B9R0.45 C#CCCOCCCCC 34a_100011215631_100000718602 [0,1,0,0,0,0|2,0,1]=4 1657 B9R0.45 C#CCCOCCCCC 7a_100000210253_100000688953 [0,1,0,0,0,0|2,0,1]=4 1658 B9R0.45 C#CCCSC/C=C\CC 62a_100000688953_100103147603 [0,1,0,0,0,0|1,0,2]=4 1659 B9R0.45 C#CCCSC/C=C\CC 62a_100103147603_100000688953 [0,1,0,0,0,0|1,0,2]=4 1660 B9R0.45 C#CCCSCCCCC 62a_100000210326_100000688953 [0,1,0,0,0,0|2,0,1]=4 1661 B9R0.45 C#CCCSCCCCC 62a_100000688953_100000210326 [0,1,0,0,0,0|2,0,1]=4 1662 B9R0.45 C#CCNCC/C=C\CC 34a_100000212058_100015370543 [0,1,0,0,0,0|1,0,2]=4 1663 B9R0.45 C#CCNCCCCCC 2230a_100000210581_100000038162 [0,1,0,0,0,0|2,0,1]=4 1664 B9R0.45 C#CCNCCCCCC 34a_100000212058_100000210314 [0,1,0,0,0,0|2,0,1]=4 1665 B9R0.45 C#CCOCC/C=C\CC 34a_100000210247_100015370543 [0,1,0,0,0,0|1,0,2]=4 1666 B9R0.45 C#CCOCC/C=C\CC 34a_100016288707_100000184674 [0,1,0,0,0,0|1,0,2]=4 1667 B9R0.45 C#CCOCC/C=C\CC 7a_100016288707_100000038162 [0,1,0,0,0,0|1,0,2]=4 1668 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [0,1,0,0,0,0|2,0,1]=4 1669 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [0,1,0,0,0,0|2,0,1]=4 1670 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [0,1,0,0,0,0|2,0,1]=4 1671 B9R0.45 C#CCSCC/C=C\CC 62a_100000038162_100015370543 [0,1,0,0,0,0|1,0,2]=4 1672 B9R0.45 C#CCSCCCCCC 62a_100000038162_100000210757 [0,1,0,0,0,0|2,0,1]=4 1673 B9R0.45 C/C=C/C=C/COCCC 34a_100016283227_100000210303 [0,1,0,0,0,0|1,0,2]=4 1674 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [0,1,0,0,0,0|1,0,2]=4 1675 B9R0.45 C/C=C/COC/C=C\CC 34a_100016268518_100102629194 [0,1,0,0,0,0|1,0,2]=4 1676 B9R0.45 C/C=C/COC/C=C\CC 34a_100016270725_100103147603 [0,1,0,0,0,0|1,0,2]=4 1677 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [0,1,0,0,0,0|1,0,2]=4 1678 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [0,1,0,0,0,0|1,0,2]=4 1679 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [0,1,0,0,0,0|1,0,2]=4 1680 B9R0.45 C/C=C/CSC/C=C\CC 62a_100102629194_100103147603 [0,1,0,0,0,0|1,0,2]=4 1681 B9R0.45 C/C=C/CSC/C=C\CC 62a_100103147603_100102629194 [0,1,0,0,0,0|1,0,2]=4 1682 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [0,1,0,0,0,0|1,0,2]=4 1683 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [0,1,0,0,0,0|1,0,2]=4 1684 B9R0.45 C=CCCC/C=C/COC 34a_200016268473_200000210301 [0,1,0,0,0,0|0,0,2]=3 1685 B9R0.45 C=CCCC/C=C/COC 7a_200016268473_200000210301 [0,1,0,0,0,0|0,0,2]=3 1686 B9R0.45 C=CCCC/C=C/CO[13CH3] 34a_200016268473_200025704644 [0,1,0,0,0,0|0,0,2]=3 1687 B9R0.45 C=CCCC/C=C/CO[13CH3] 7a_200016268473_200025704644 [0,1,0,0,0,0|0,0,2]=3 1688 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [0,1,0,0,0,0|1,0,2]=4 1689 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [0,1,0,0,0,0|1,0,2]=4 1690 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [0,1,0,0,0,0|1,0,2]=4 1691 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [0,1,0,0,0,0|1,0,2]=4 1692 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [0,1,0,0,0,0|1,0,2]=4 1693 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [0,1,0,0,0,0|1,0,2]=4 1694 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [0,1,0,0,0,0|1,0,2]=4 1695 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [0,1,0,0,0,0|1,0,2]=4 1696 B9R0.45 C=CCCNC/C=C\CC 2230a_100015191253_100103147603 [0,1,0,0,0,0|1,0,2]=4 1697 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [0,1,0,0,0,0|2,0,1]=4 1698 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [0,1,0,0,0,0|2,0,1]=4 1699 B9R0.45 C=CCCOC/C=C\CC 34a_100011205117_100103147603 [0,1,0,0,0,0|1,0,2]=4 1700 B9R0.45 C=CCCOC/C=C\CC 34a_100016268518_100000754431 [0,1,0,0,0,0|1,0,2]=4 1701 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [0,1,0,0,0,0|2,0,1]=4 1702 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [0,1,0,0,0,0|2,0,1]=4 1703 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [0,1,0,0,0,0|2,0,1]=4 1704 B9R0.45 C=CCCSC/C=C\CC 62a_100000754431_100103147603 [0,1,0,0,0,0|1,0,2]=4 1705 B9R0.45 C=CCCSC/C=C\CC 62a_100103147603_100000754431 [0,1,0,0,0,0|1,0,2]=4 1706 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [0,1,0,0,0,0|2,0,1]=4 1707 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [0,1,0,0,0,0|2,0,1]=4 1708 B9R0.45 C=CCNCC/C=C\CC 2230a_100020586998_100015370543 [0,1,0,0,0,0|1,0,2]=4 1709 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [0,1,0,0,0,0|2,0,1]=4 1710 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [0,1,0,0,0,0|2,0,1]=4 1711 B9R0.45 C=CCOCC/C=C\CC 34a_100016288707_100015514636 [0,1,0,0,0,0|1,0,2]=4 1712 B9R0.45 C=CCOCC/C=C\CC 34a_200000210373_100015370543 [0,1,0,0,0,0|1,0,2]=4 1713 B9R0.45 C=CCOCC/C=C\CC 7a_100016288707_100015514636 [0,1,0,0,0,0|1,0,2]=4 1714 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [0,1,0,0,0,0|2,0,1]=4 1715 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [0,1,0,0,0,0|2,0,1]=4 1716 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [0,1,0,0,0,0|2,0,1]=4 1717 B9R0.45 C=CCSCC/C=C\CC 62a_100000210623_100015370543 [0,1,0,0,0,0|1,0,2]=4 1718 B9R0.45 C=CCSCC/C=C\CC 62a_100015370543_100000210623 [0,1,0,0,0,0|1,0,2]=4 1719 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [0,1,0,0,0,0|2,0,1]=4 1720 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [0,1,0,0,0,0|2,0,1]=4 1721 B9R0.45 CC#CCNC/C=C\CC 2230a_100000685387_100103147603 [0,1,0,0,0,0|1,0,2]=4 1722 B9R0.45 CC#CCNC/C=C\CC 34a_100000685387_100103147603 [0,1,0,0,0,0|1,0,2]=4 1723 B9R0.45 CC#CCOC/C=C\CC 34a_100000761923_100103147603 [0,1,0,0,0,0|1,0,2]=4 1724 B9R0.45 CC#CCOC/C=C\CC 34a_100016268518_100000748600 [0,1,0,0,0,0|1,0,2]=4 1725 B9R0.45 CC#CCSC/C=C\CC 62a_100000748600_100103147603 [0,1,0,0,0,0|1,0,2]=4 1726 B9R0.45 CC#CCSC/C=C\CC 62a_100103147603_100000748600 [0,1,0,0,0,0|1,0,2]=4 1727 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [0,1,0,0,0,0|1,0,0]=2 1728 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [0,1,0,0,0,0|1,0,0]=2 1729 B9R0.45 CC/C=C/CCCOCF 34a_100016287902_100015361967 [0,1,0,0,0,0|2,0,0]=3 1730 B9R0.45 CC/C=C/CCCOCF 7a_100016287902_100015361967 [0,1,0,0,0,0|2,0,0]=3 1731 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [0,1,0,0,0,0|1,0,0]=2 1732 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [0,1,0,0,0,0|1,0,0]=2 1733 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [0,1,0,0,0,0|1,0,0]=2 1734 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [0,1,0,0,0,0|1,0,0]=2 1735 B9R0.45 CC/C=C\CCNCCF 34a_100000724931_100015370543 [0,1,0,0,0,0|2,0,0]=3 1736 B9R0.45 CC/C=C\CCNCCO 2230a_100016997473_100015370543 [0,1,0,0,0,0|2,0,0]=3 1737 B9R0.45 CC/C=C\CCNCCO 34a_100016990907_100015370543 [0,1,0,0,0,0|2,0,0]=3 1738 B9R0.45 CC/C=C\CCOCC#N 7a_100016288707_100011215382 [0,1,0,0,0,0|2,0,1]=4 1739 B9R0.45 CC/C=C\CCOCC=O 34a_100016288707_200009817547 [0,1,0,0,0,0|2,0,1]=4 1740 B9R0.45 CC/C=C\CCOCC=O 7a_100016288707_200015260668 [0,1,0,0,0,0|2,0,1]=4 1741 B9R0.45 CC/C=C\CCOCCBr 34a_100000211926_100015370543 [0,1,0,0,0,0|2,0,0]=3 1742 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [0,1,0,0,0,0|1,0,0]=2 1743 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [0,1,0,0,0,0|1,0,0]=2 1744 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [0,1,0,0,0,0|1,0,0]=2 1745 B9R0.45 CC/C=C\CCOCCF 34a_100016288707_100011217306 [0,1,0,0,0,0|2,0,0]=3 1746 B9R0.45 CC/C=C\CCOCCF 7a_100016288707_100011217306 [0,1,0,0,0,0|2,0,0]=3 1747 B9R0.45 CC/C=C\CCOCCN 34a_100000210304_100015370543 [0,1,0,0,0,0|2,0,0]=3 1748 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [0,1,0,0,0,0|2,0,0]=3 1749 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [0,1,0,0,0,0|2,0,0]=3 1750 B9R0.45 CC/C=C\CCOCSC 34a_100016288707_100011218213 [0,1,0,0,0,0|2,0,0]=3 1751 B9R0.45 CC/C=C\CCSCC#N 62a_100011215382_100015370543 [0,1,0,0,0,0|2,0,1]=4 1752 B9R0.45 CC/C=C\CCSCC#N 62a_100015370543_100011215382 [0,1,0,0,0,0|2,0,1]=4 1753 B9R0.45 CC/C=C\CCSCC=O 62a_100015370543_200015260668 [0,1,0,0,0,0|2,0,1]=4 1754 B9R0.45 CC/C=C\CCSCC=O 62a_200015260668_100015370543 [0,1,0,0,0,0|2,0,1]=4 1755 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [0,1,0,0,0,0|1,0,0]=2 1756 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [0,1,0,0,0,0|1,0,0]=2 1757 B9R0.45 CC/C=C\CCSCCF 62a_100011217306_100015370543 [0,1,0,0,0,0|2,0,0]=3 1758 B9R0.45 CC/C=C\CCSCCF 62a_100015370543_100011217306 [0,1,0,0,0,0|2,0,0]=3 1759 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [0,1,0,0,0,0|2,0,0]=3 1760 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [0,1,0,0,0,0|2,0,0]=3 1761 B9R0.45 CC/C=C\CCSCOC 62a_100000766300_100015370543 [0,1,0,0,0,0|2,0,0]=3 1762 B9R0.45 CC/C=C\CCSCOC 62a_100015370543_100000766300 [0,1,0,0,0,0|2,0,0]=3 1763 B9R0.45 CC/C=C\CCSCSC 62a_100011218213_100015370543 [0,1,0,0,0,0|2,0,0]=3 1764 B9R0.45 CC/C=C\CCSCSC 62a_100015370543_100011218213 [0,1,0,0,0,0|2,0,0]=3 1765 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [0,1,0,0,0,0|1,0,0]=2 1766 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [0,1,0,0,0,0|1,0,0]=2 1767 B9R0.45 CC/C=C\CNCCCF 2230a_100015189416_100103147603 [0,1,0,0,0,0|2,0,0]=3 1768 B9R0.45 CC/C=C\CNCCCF 34a_100015189416_100103147603 [0,1,0,0,0,0|2,0,0]=3 1769 B9R0.45 CC/C=C\CNCCOC 2230a_100000209980_100103147603 [0,1,0,0,0,0|2,0,0]=3 1770 B9R0.45 CC/C=C\CNCCSC 2230a_100020590264_100103147603 [0,1,0,0,0,0|2,0,0]=3 1771 B9R0.45 CC/C=C\COCCCBr 34a_100011217188_100103147603 [0,1,0,0,0,0|2,0,0]=3 1772 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [0,1,0,0,0,0|1,0,0]=2 1773 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [0,1,0,0,0,0|1,0,0]=2 1774 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [0,1,0,0,0,0|1,0,0]=2 1775 B9R0.45 CC/C=C\COCCCCl 34a_100000230001_100103147603 [0,1,0,0,0,0|2,0,0]=3 1776 B9R0.45 CC/C=C\COCCCF 34a_100000759539_100103147603 [0,1,0,0,0,0|2,0,0]=3 1777 B9R0.45 CC/C=C\COCCCF 34a_100016268518_100011934791 [0,1,0,0,0,0|2,0,0]=3 1778 B9R0.45 CC/C=C\COCCCN 34a_100000182051_100103147603 [0,1,0,0,0,0|2,0,0]=3 1779 B9R0.45 CC/C=C\COCCCO 34a_100016268518_100000230001 [0,1,0,0,0,0|2,0,0]=3 1780 B9R0.45 CC/C=C\COCCOC 34a_100000210237_100103147603 [0,1,0,0,0,0|2,0,0]=3 1781 B9R0.45 CC/C=C\COCCOC 34a_100016268518_100011201679 [0,1,0,0,0,0|2,0,0]=3 1782 B9R0.45 CC/C=C\COCCON 34a_100000700252_100103147603 [0,1,0,0,0,0|3,0,0]=4 1783 B9R0.45 CC/C=C\COCCSC 34a_100000230434_100103147603 [0,1,0,0,0,0|2,0,0]=3 1784 B9R0.45 CC/C=C\COCCSC 34a_100016268518_100000212216 [0,1,0,0,0,0|2,0,0]=3 1785 B9R0.45 CC/C=C\COCCSC 7a_100000230434_100103147603 [0,1,0,0,0,0|2,0,0]=3 1786 B9R0.45 CC/C=C\CSCCC#N 62a_100011215226_100103147603 [0,1,0,0,0,0|2,0,1]=4 1787 B9R0.45 CC/C=C\CSCCC#N 62a_100103147603_100011215226 [0,1,0,0,0,0|2,0,1]=4 1788 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [0,1,0,0,0,0|1,0,0]=2 1789 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [0,1,0,0,0,0|1,0,0]=2 1790 B9R0.45 CC/C=C\CSCCCF 62a_100011934791_100103147603 [0,1,0,0,0,0|2,0,0]=3 1791 B9R0.45 CC/C=C\CSCCCF 62a_100103147603_100011934791 [0,1,0,0,0,0|2,0,0]=3 1792 B9R0.45 CC/C=C\CSCCCO 62a_100011215043_100103147603 [0,1,0,0,0,0|2,0,0]=3 1793 B9R0.45 CC/C=C\CSCCCO 62a_100103147603_100011215043 [0,1,0,0,0,0|2,0,0]=3 1794 B9R0.45 CC/C=C\CSCCOC 62a_100000233755_100103147603 [0,1,0,0,0,0|2,0,0]=3 1795 B9R0.45 CC/C=C\CSCCOC 62a_100103147603_100000233755 [0,1,0,0,0,0|2,0,0]=3 1796 B9R0.45 CC/C=C\CSCCSC 62a_100000212216_100103147603 [0,1,0,0,0,0|2,0,0]=3 1797 B9R0.45 CC/C=C\CSCCSC 62a_100103147603_100000751147 [0,1,0,0,0,0|2,0,0]=3 1798 B9R0.45 CC/C=C\CSCOCC 62a_100000739092_100103147603 [0,1,0,0,0,0|2,0,0]=3 1799 B9R0.45 CC/C=C\CSCOCC 62a_100103147603_100000739092 [0,1,0,0,0,0|2,0,0]=3 1800 B9R0.45 CC=C=CCCOCCC 34a_100011020354_100000210303 [0,1,0,0,0,0|1,0,2]=4 1801 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [0,1,0,0,0,0|1,0,2]=4 1802 B9R0.45 CC=CCCCOCCO 34a_100020645299_100000211926 [0,1,0,0,0,0|1,0,2]=4 1803 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [0,1,0,0,0,0|1,0,2]=4 1804 B9R0.45 CC=CCOC/C=C\CC 34a_100016268518_100000070051 [0,1,0,0,0,0|1,0,2]=4 1805 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [0,1,0,0,0,0|1,0,2]=4 1806 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [0,1,0,0,0,0|1,0,2]=4 1807 B9R0.45 CC=CCSC/C=C\CC 62a_100000070051_100103147603 [0,1,0,0,0,0|1,0,2]=4 1808 B9R0.45 CC=CCSC/C=C\CC 62a_100103147603_100000070051 [0,1,0,0,0,0|1,0,2]=4 1809 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [0,1,0,0,0,0|1,0,2]=4 1810 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [0,1,0,0,0,0|1,0,2]=4 1811 B9R0.45 CCC#CCCOCCC 34a_100000036655_100000210303 [0,1,0,0,0,0|1,0,2]=4 1812 B9R0.45 CCC#CCCOCCC 7a_100000036655_100000210303 [0,1,0,0,0,0|1,0,2]=4 1813 B9R0.45 CCC#CCCOCCO 34a_100000036655_100000211926 [0,1,0,0,0,0|1,0,2]=4 1814 B9R0.45 CCC#CCCOCCO 7a_100000036655_100000211926 [0,1,0,0,0,0|1,0,2]=4 1815 B9R0.45 CCC#CCNCCCC 2230a_100000102301_100009813939 [0,1,0,0,0,0|1,0,2]=4 1816 B9R0.45 CCC#CCNCCCC 7a_106832991798_100009813939 [0,1,0,0,0,0|1,0,2]=4 1817 B9R0.45 CCC#CCOCCCC 34a_100000032950_100000210210 [0,1,0,0,0,0|1,0,2]=4 1818 B9R0.45 CCC#CCOCCCC 34a_100000210227_100009813939 [0,1,0,0,0,0|1,0,2]=4 1819 B9R0.45 CCC#CCOCCCC 7a_100000210227_100009813939 [0,1,0,0,0,0|1,0,2]=4 1820 B9R0.45 CCC#CCSCCCC 62a_100000210211_100009813939 [0,1,0,0,0,0|1,0,2]=4 1821 B9R0.45 CCC#CCSCCCC 62a_100009813939_100000210210 [0,1,0,0,0,0|1,0,2]=4 1822 B9R0.45 CCC/C=C/C=C/COC 34a_100016294078_200000210301 [0,1,0,0,0,0|0,0,2]=3 1823 B9R0.45 CCC/C=C/C=C/CO[13CH3] 34a_100016294078_200025704644 [0,1,0,0,0,0|0,0,2]=3 1824 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [0,1,0,0,0,0|2,0,0]=3 1825 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [0,1,0,0,0,0|2,0,0]=3 1826 B9R0.45 CCC/C=C/COCCF 34a_100016278788_100011217306 [0,1,0,0,0,0|3,0,0]=4 1827 B9R0.45 CCC/C=C/COCCF 7a_100016278788_100011217306 [0,1,0,0,0,0|3,0,0]=4 1828 B9R0.45 CCC/C=C/COCCO 34a_100016278788_100000211926 [0,1,0,0,0,0|1,0,2]=4 1829 B9R0.45 CCC/C=C/COCCO 7a_100016278788_100000211926 [0,1,0,0,0,0|1,0,2]=4 1830 B9R0.45 CCC/C=C/COCSC 34a_100016278788_100011218213 [0,1,0,0,0,0|3,0,0]=4 1831 B9R0.45 CCC=CC=NNCCC 4a_100000740057_100011216943 [0,1,0,0,0,0|2,0,1]=4 1832 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [0,1,0,0,0,0|2,0,0]=3 1833 B9R0.45 CCC=NNCCOCC 4a_100000732670_100000210100 [0,1,0,0,0,0|3,0,0]=4 1834 B9R0.45 CCCC#CCOCCO 34a_100000034806_100000211926 [0,1,0,0,0,0|1,0,2]=4 1835 B9R0.45 CCCC#CCOCCO 7a_100000034806_100000211926 [0,1,0,0,0,0|1,0,2]=4 1836 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [0,1,0,0,0,0|1,0,2]=4 1837 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [0,1,0,0,0,0|1,0,2]=4 1838 B9R0.45 CCCC/C=C/COCF 34a_200016272032_100015361967 [0,1,0,0,0,0|1,0,2]=4 1839 B9R0.45 CCCC/C=C/COCF 7a_200016272032_100015361967 [0,1,0,0,0,0|1,0,2]=4 1840 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [0,1,0,0,0,0|0,0,2]=3 1841 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [0,1,0,0,0,0|0,0,2]=3 1842 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [0,1,0,0,0,0|0,0,2]=3 1843 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [0,1,0,0,0,0|0,0,2]=3 1844 B9R0.45 CCCC=NNCCCC 4a_100025702795_100000185831 [0,1,0,0,0,0|2,0,1]=4 1845 B9R0.45 CCCCC#CCCOC 34a_100000037610_200000210301 [0,1,0,0,0,0|0,0,3]=4 1846 B9R0.45 CCCCC#CCCOC 7a_100000037610_200000210301 [0,1,0,0,0,0|0,0,3]=4 1847 B9R0.45 CCCCC#CCCO[13CH3] 34a_100000037610_200025704644 [0,1,0,0,0,0|0,0,3]=4 1848 B9R0.45 CCCCC#CCCO[13CH3] 7a_100000037610_200025704644 [0,1,0,0,0,0|0,0,3]=4 1849 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [0,1,0,0,0,0|0,0,0]=1 1850 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [0,1,0,0,0,0|0,0,0]=1 1851 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [0,1,0,0,0,0|0,0,0]=1 1852 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [0,1,0,0,0,0|0,0,0]=1 1853 B9R0.45 CCCCC=NNCCO 4a_100000210001_100000210104 [0,1,0,0,0,0|1,0,2]=4 1854 B9R0.45 CCCCCC#CCNC 2230a_106832991635_100009816472 [0,1,0,0,0,0|1,0,2]=4 1855 B9R0.45 CCCCCC#CCNC 34a_100102657272_100009816472 [0,1,0,0,0,0|1,0,2]=4 1856 B9R0.45 CCCCCC#CCNC 7a_106832991635_100009816472 [0,1,0,0,0,0|1,0,2]=4 1857 B9R0.45 CCCCCC#CCOC 34a_100138415774_100009816472 [0,1,0,0,0,0|0,0,2]=3 1858 B9R0.45 CCCCCC#CCOC 34a_200000033628_200000210301 [0,1,0,0,0,0|0,0,2]=3 1859 B9R0.45 CCCCCC#CCOC 7a_200000033628_200000210301 [0,1,0,0,0,0|0,0,2]=3 1860 B9R0.45 CCCCCC#CCO[13CH3] 34a_200000033628_200025704644 [0,1,0,0,0,0|0,0,2]=3 1861 B9R0.45 CCCCCC#CCO[13CH3] 7a_200000033628_200025704644 [0,1,0,0,0,0|0,0,2]=3 1862 B9R0.45 CCCCCC#CCSC 62a_100009816472_200000210301 [0,1,0,0,0,0|0,1,2]=4 1863 B9R0.45 CCCCCC#CCSC 62a_200000210301_100009816472 [0,1,0,0,0,0|0,1,2]=4 1864 B9R0.45 CCCCCC#CCS[13CH3] 62a_100009816472_200025704644 [0,1,0,0,0,0|0,1,2]=4 1865 B9R0.45 CCCCCC#CCS[13CH3] 62a_200025704644_100009816472 [0,1,0,0,0,0|0,1,2]=4 1866 B9R0.45 CCCCCC=NNCC 4a_100000756455_100000737632 [0,1,0,0,0,0|2,0,0]=3 1867 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [0,1,0,0,0,0|1,0,2]=4 1868 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [0,1,0,0,0,0|1,0,2]=4 1869 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [0,1,0,0,0,0|1,0,2]=4 1870 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [0,1,0,0,0,0|1,0,2]=4 1871 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [0,1,0,0,0,0|1,0,2]=4 1872 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [0,1,0,0,0,0|1,0,2]=4 1873 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [0,1,0,0,0,0|1,0,2]=4 1874 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [0,1,0,0,0,0|0,0,2]=3 1875 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [0,1,0,0,0,0|0,0,2]=3 1876 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [0,1,0,0,0,0|0,0,2]=3 1877 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [0,1,0,0,0,0|0,0,2]=3 1878 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [0,1,0,0,0,0|0,0,2]=3 1879 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [0,1,0,0,0,0|0,1,2]=4 1880 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [0,1,0,0,0,0|0,1,2]=4 1881 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [0,1,0,0,0,0|0,1,2]=4 1882 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [0,1,0,0,0,0|0,1,2]=4 1883 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [0,1,0,0,0,0|1,0,2]=4 1884 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [0,1,0,0,0,0|1,0,2]=4 1885 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [0,1,0,0,0,0|1,0,2]=4 1886 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [0,1,0,0,0,0|1,0,2]=4 1887 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [0,1,0,0,0,0|1,0,2]=4 1888 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [0,1,0,0,0,0|1,0,2]=4 1889 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [0,1,0,0,0,0|1,0,2]=4 1890 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [0,1,0,0,0,0|1,0,2]=4 1891 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [0,1,0,0,0,0|1,0,2]=4 1892 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [0,1,0,0,0,0|1,0,2]=4 1893 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [0,1,0,0,0,0|1,0,2]=4 1894 B9R0.45 CCCCCCNCC#N 2230a_100000210581_100011215382 [0,1,0,0,0,0|2,0,1]=4 1895 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [0,1,0,0,0,0|1,0,2]=4 1896 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [0,1,0,0,0,0|1,0,2]=4 1897 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [0,1,0,0,0,0|1,0,2]=4 1898 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [0,1,0,0,0,0|1,0,2]=4 1899 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [0,1,0,0,0,0|0,0,2]=3 1900 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [0,1,0,0,0,0|0,0,2]=3 1901 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [0,1,0,0,0,0|0,0,2]=3 1902 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [0,1,0,0,0,0|1,0,1]=3 1903 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [0,1,0,0,0,0|1,1,1]=4 1904 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [0,1,0,0,0,0|2,0,1]=4 1905 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [0,1,0,0,0,0|1,0,2]=4 1906 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [0,1,0,0,0,0|1,0,2]=4 1907 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [0,1,0,0,0,0|1,0,2]=4 1908 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [0,1,0,0,0,0|1,0,2]=4 1909 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [0,1,0,0,0,0|1,0,2]=4 1910 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [0,1,0,0,0,0|1,0,2]=4 1911 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [0,1,0,0,0,0|1,0,2]=4 1912 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [0,1,0,0,0,0|1,0,2]=4 1913 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [0,1,0,0,0,0|1,0,2]=4 1914 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [0,1,0,0,0,0|0,0,2]=3 1915 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [0,1,0,0,0,0|0,0,2]=3 1916 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [0,1,0,0,0,0|1,1,1]=4 1917 B9R0.45 CCCCCCSCC#N 62a_100000210314_100011215382 [0,1,0,0,0,0|2,0,1]=4 1918 B9R0.45 CCCCCCSCC#N 62a_100011215382_100000210757 [0,1,0,0,0,0|2,0,1]=4 1919 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [0,1,0,0,0,0|1,0,2]=4 1920 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [0,1,0,0,0,0|1,0,2]=4 1921 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [0,1,0,0,0,0|1,0,2]=4 1922 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [0,1,0,0,0,0|1,0,2]=4 1923 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [0,1,0,0,0,0|1,0,2]=4 1924 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [0,1,0,0,0,0|1,0,2]=4 1925 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [0,1,0,0,0,0|0,0,2]=3 1926 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [0,1,0,0,0,0|0,0,2]=3 1927 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [0,1,0,0,0,0|1,0,1]=3 1928 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [0,1,0,0,0,0|1,0,1]=3 1929 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [0,1,0,0,0,0|1,1,1]=4 1930 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [0,1,0,0,0,0|1,1,1]=4 1931 B9R0.45 CCCCCNCCC#N 2230a_100000209983_100011215226 [0,1,0,0,0,0|2,0,1]=4 1932 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [0,1,0,0,0,0|1,0,2]=4 1933 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [0,1,0,0,0,0|1,0,2]=4 1934 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [0,1,0,0,0,0|1,0,2]=4 1935 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [0,1,0,0,0,0|1,0,2]=4 1936 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [0,1,0,0,0,0|1,0,2]=4 1937 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [0,1,0,0,0,0|1,0,2]=4 1938 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [0,1,0,0,0,0|0,0,2]=3 1939 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [0,1,0,0,0,0|1,0,1]=3 1940 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [0,1,0,0,0,0|1,0,1]=3 1941 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [0,1,0,0,0,0|1,0,1]=3 1942 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [0,1,0,0,0,0|1,0,1]=3 1943 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [0,1,0,0,0,0|1,1,1]=4 1944 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [0,1,0,0,0,0|1,1,1]=4 1945 B9R0.45 CCCCCOCCC#N 7a_100000210253_100000184422 [0,1,0,0,0,0|2,0,1]=4 1946 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [0,1,0,0,0,0|1,0,2]=4 1947 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [0,1,0,0,0,0|1,0,2]=4 1948 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [0,1,0,0,0,0|1,0,2]=4 1949 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [0,1,0,0,0,0|1,0,2]=4 1950 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [0,1,0,0,0,0|1,0,2]=4 1951 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [0,1,0,0,0,0|1,0,2]=4 1952 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [0,1,0,0,0,0|1,0,2]=4 1953 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [0,1,0,0,0,0|1,0,2]=4 1954 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [0,1,0,0,0,0|1,0,2]=4 1955 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [0,1,0,0,0,0|1,0,2]=4 1956 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [0,1,0,0,0,0|0,0,2]=3 1957 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [0,1,0,0,0,0|0,0,2]=3 1958 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [0,1,0,0,0,0|1,0,1]=3 1959 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [0,1,0,0,0,0|1,0,1]=3 1960 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [0,1,0,0,0,0|1,0,1]=3 1961 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [0,1,0,0,0,0|1,0,1]=3 1962 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [0,1,0,0,0,0|1,0,1]=3 1963 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [0,1,0,0,0,0|1,0,1]=3 1964 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [0,1,0,0,0,0|1,0,1]=3 1965 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [0,1,0,0,0,0|1,0,1]=3 1966 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [0,1,0,0,0,0|1,1,1]=4 1967 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [0,1,0,0,0,0|1,1,1]=4 1968 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [0,1,0,0,0,0|1,1,1]=4 1969 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [0,1,0,0,0,0|1,1,1]=4 1970 B9R0.45 CCCCCSCCC#N 62a_100000210326_100011215226 [0,1,0,0,0,0|2,0,1]=4 1971 B9R0.45 CCCCCSCCC#N 62a_100011215226_100000210326 [0,1,0,0,0,0|2,0,1]=4 1972 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [0,1,0,0,0,0|1,0,2]=4 1973 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [0,1,0,0,0,0|1,0,2]=4 1974 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [0,1,0,0,0,0|1,0,2]=4 1975 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [0,1,0,0,0,0|1,0,2]=4 1976 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [0,1,0,0,0,0|0,0,2]=3 1977 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [0,1,0,0,0,0|0,0,2]=3 1978 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [0,1,0,0,0,0|1,0,1]=3 1979 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [0,1,0,0,0,0|1,0,1]=3 1980 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [0,1,0,0,0,0|1,1,1]=4 1981 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [0,1,0,0,0,0|1,1,1]=4 1982 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [0,1,0,0,0,0|2,0,1]=4 1983 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [0,1,0,0,0,0|2,0,1]=4 1984 B9R0.45 CCCCNCC#CCO 2230a_100000102301_200000047223 [0,1,0,0,0,0|0,0,2]=3 1985 B9R0.45 CCCCNCC#CCO 7a_106832991798_200000047223 [0,1,0,0,0,0|0,0,2]=3 1986 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [0,1,0,0,0,0|1,0,2]=4 1987 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [0,1,0,0,0,0|1,0,2]=4 1988 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [0,1,0,0,0,0|0,0,2]=3 1989 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [0,1,0,0,0,0|0,0,2]=3 1990 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [0,1,0,0,0,0|0,0,2]=3 1991 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [0,1,0,0,0,0|0,0,2]=3 1992 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [0,1,0,0,0,0|1,0,2]=4 1993 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [0,1,0,0,0,0|1,0,2]=4 1994 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [0,1,0,0,0,0|1,0,2]=4 1995 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [0,1,0,0,0,0|2,0,1]=4 1996 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [0,1,0,0,0,0|2,0,1]=4 1997 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [0,1,0,0,0,0|2,0,1]=4 1998 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [0,1,0,0,0,0|2,0,1]=4 1999 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [0,1,0,0,0,0|2,0,1]=4 2000 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [0,1,0,0,0,0|2,0,1]=4 2001 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [0,1,0,0,0,0|2,0,1]=4 2002 B9R0.45 CCCCOCC#CCCl 34a_200000047223_100000210210 [0,1,0,0,0,0|1,0,2]=4 2003 B9R0.45 CCCCOCC#CCO 34a_100000210227_200000047223 [0,1,0,0,0,0|0,0,2]=3 2004 B9R0.45 CCCCOCC#CCO 7a_100000210227_200000047223 [0,1,0,0,0,0|0,0,2]=3 2005 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [0,1,0,0,0,0|1,0,2]=4 2006 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [0,1,0,0,0,0|1,0,2]=4 2007 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [0,1,0,0,0,0|1,0,2]=4 2008 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [0,1,0,0,0,0|1,0,2]=4 2009 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [0,1,0,0,0,0|1,0,2]=4 2010 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [0,1,0,0,0,0|1,0,2]=4 2011 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [0,1,0,0,0,0|1,0,2]=4 2012 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [0,1,0,0,0,0|1,0,2]=4 2013 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [0,1,0,0,0,0|1,0,2]=4 2014 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [0,1,0,0,0,0|0,0,2]=3 2015 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [0,1,0,0,0,0|0,0,2]=3 2016 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [0,1,0,0,0,0|1,0,2]=4 2017 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [0,1,0,0,0,0|1,0,2]=4 2018 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [0,1,0,0,0,0|1,0,2]=4 2019 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [0,1,0,0,0,0|1,0,2]=4 2020 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [0,1,0,0,0,0|1,0,2]=4 2021 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [0,1,0,0,0,0|1,0,2]=4 2022 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [0,1,0,0,0,0|1,0,2]=4 2023 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [0,1,0,0,0,0|2,0,1]=4 2024 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [0,1,0,0,0,0|2,0,1]=4 2025 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [0,1,0,0,0,0|2,0,1]=4 2026 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [0,1,0,0,0,0|2,0,1]=4 2027 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [0,1,0,0,0,0|2,0,1]=4 2028 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [0,1,0,0,0,0|2,0,1]=4 2029 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [0,1,0,0,0,0|2,0,1]=4 2030 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [0,1,0,0,0,0|2,0,1]=4 2031 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [0,1,0,0,0,0|2,0,1]=4 2032 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [0,1,0,0,0,0|2,0,1]=4 2033 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [0,1,0,0,0,0|2,0,1]=4 2034 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [0,1,0,0,0,0|2,0,1]=4 2035 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [0,1,0,0,0,0|2,0,1]=4 2036 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [0,1,0,0,0,0|2,0,1]=4 2037 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [0,1,0,0,0,0|2,0,1]=4 2038 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [0,1,0,0,0,0|2,0,1]=4 2039 B9R0.45 CCCCOCCSCF 62a_100000743108_100015361967 [0,1,0,0,0,0|2,0,1]=4 2040 B9R0.45 CCCCOCCSCF 62a_100015361967_100000743108 [0,1,0,0,0,0|2,0,1]=4 2041 B9R0.45 CCCCOCNCCF 34a_100000724931_100011995733 [0,1,0,0,0,0|2,0,1]=4 2042 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [0,1,0,0,0,0|1,0,1]=3 2043 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [0,1,0,0,0,0|1,0,1]=3 2044 B9R0.45 CCCCOCOCCBr 34a_100000211926_100011995733 [0,1,0,0,0,0|2,0,1]=4 2045 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [0,1,0,0,0,0|2,0,1]=4 2046 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [0,1,0,0,0,0|2,0,1]=4 2047 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [0,1,0,0,0,0|2,0,1]=4 2048 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [0,1,0,0,0,0|2,0,1]=4 2049 B9R0.45 CCCCOCSCCF 62a_100011217306_100011995733 [0,1,0,0,0,0|2,0,1]=4 2050 B9R0.45 CCCCOCSCCF 62a_100011995733_100011217306 [0,1,0,0,0,0|2,0,1]=4 2051 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [0,1,0,0,0,0|1,0,1]=3 2052 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [0,1,0,0,0,0|1,0,1]=3 2053 B9R0.45 CCCCOCSCOC 62a_100000766300_100011995733 [0,1,0,0,0,0|2,0,1]=4 2054 B9R0.45 CCCCOCSCOC 62a_100011995733_100000766300 [0,1,0,0,0,0|2,0,1]=4 2055 B9R0.45 CCCCSCC#CCO 62a_100000210211_200000047223 [0,1,0,0,0,0|0,0,2]=3 2056 B9R0.45 CCCCSCC#CCO 62a_200000047223_100000210210 [0,1,0,0,0,0|0,0,2]=3 2057 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [0,1,0,0,0,0|1,0,2]=4 2058 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [0,1,0,0,0,0|1,0,2]=4 2059 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [0,1,0,0,0,0|0,0,2]=3 2060 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [0,1,0,0,0,0|0,0,2]=3 2061 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [0,1,0,0,0,0|1,0,2]=4 2062 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [0,1,0,0,0,0|1,0,2]=4 2063 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [0,1,0,0,0,0|2,0,1]=4 2064 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [0,1,0,0,0,0|2,0,1]=4 2065 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [0,1,0,0,0,0|2,0,1]=4 2066 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [0,1,0,0,0,0|2,0,1]=4 2067 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [0,1,0,0,0,0|2,0,1]=4 2068 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [0,1,0,0,0,0|2,0,1]=4 2069 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [0,1,0,0,0,0|2,0,1]=4 2070 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [0,1,0,0,0,0|2,0,1]=4 2071 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [0,1,0,0,0,0|2,0,1]=4 2072 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [0,1,0,0,0,0|0,0,2]=3 2073 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [0,1,0,0,0,0|0,0,2]=3 2074 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [0,1,0,0,0,0|2,0,1]=4 2075 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [0,1,0,0,0,0|2,0,1]=4 2076 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [0,1,0,0,0,0|2,0,1]=4 2077 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [0,1,0,0,0,0|2,0,1]=4 2078 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [0,1,0,0,0,0|1,0,1]=3 2079 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [0,1,0,0,0,0|1,0,1]=3 2080 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [0,1,0,0,0,0|2,0,1]=4 2081 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [0,1,0,0,0,0|1,0,1]=3 2082 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [0,1,0,0,0,0|1,0,2]=4 2083 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [0,1,0,0,0,0|1,0,2]=4 2084 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [0,1,0,0,0,0|1,0,2]=4 2085 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [0,1,0,0,0,0|1,0,2]=4 2086 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [0,1,0,0,0,0|1,0,2]=4 2087 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [0,1,0,0,0,0|1,0,2]=4 2088 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [0,1,0,0,0,0|1,0,2]=4 2089 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [0,1,0,0,0,0|1,0,2]=4 2090 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [0,1,0,0,0,0|0,0,2]=3 2091 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [0,1,0,0,0,0|1,0,2]=4 2092 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [0,1,0,0,0,0|1,0,2]=4 2093 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [0,1,0,0,0,0|2,0,1]=4 2094 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [0,1,0,0,0,0|2,0,1]=4 2095 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [0,1,0,0,0,0|2,0,1]=4 2096 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [0,1,0,0,0,0|2,0,1]=4 2097 B9R0.45 CCCOCCCNCF 34a_100011217757_100015361967 [0,1,0,0,0,0|2,0,1]=4 2098 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [0,1,0,0,0,0|2,0,1]=4 2099 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [0,1,0,0,0,0|2,0,1]=4 2100 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [0,1,0,0,0,0|2,0,1]=4 2101 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [0,1,0,0,0,0|2,0,1]=4 2102 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [0,1,0,0,0,0|2,0,1]=4 2103 B9R0.45 CCCOCCNCCF 2230a_100161115042_100011217306 [0,1,0,0,0,0|2,0,1]=4 2104 B9R0.45 CCCOCCNCCF 34a_100000724931_100011215938 [0,1,0,0,0,0|2,0,1]=4 2105 B9R0.45 CCCOCCNCCF 34a_100161115042_100011217306 [0,1,0,0,0,0|2,0,1]=4 2106 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [0,1,0,0,0,0|1,0,1]=3 2107 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [0,1,0,0,0,0|1,0,1]=3 2108 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [0,1,0,0,0,0|1,0,1]=3 2109 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [0,1,0,0,0,0|1,0,1]=3 2110 B9R0.45 CCCOCCNCOC 2230a_100161115042_100000766300 [0,1,0,0,0,0|2,0,1]=4 2111 B9R0.45 CCCOCCOCCBr 34a_100000211926_100011215938 [0,1,0,0,0,0|2,0,1]=4 2112 B9R0.45 CCCOCCOCCBr 34a_100000692535_100000210303 [0,1,0,0,0,0|2,0,1]=4 2113 B9R0.45 CCCOCCOCCBr 7a_100000692535_100000210303 [0,1,0,0,0,0|2,0,1]=4 2114 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [0,1,0,0,0,0|2,0,1]=4 2115 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [0,1,0,0,0,0|2,0,1]=4 2116 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [0,1,0,0,0,0|2,0,1]=4 2117 B9R0.45 CCCOCCOCCCl 34a_100011215305_100000210303 [0,1,0,0,0,0|2,0,1]=4 2118 B9R0.45 CCCOCCOCCCl 7a_100011215305_100000210303 [0,1,0,0,0,0|2,0,1]=4 2119 B9R0.45 CCCOCCOCCF 34a_100000752267_100011217306 [0,1,0,0,0,0|2,0,1]=4 2120 B9R0.45 CCCOCCOCCF 34a_200015357709_100000210303 [0,1,0,0,0,0|2,0,1]=4 2121 B9R0.45 CCCOCCOCCF 7a_100000752267_100011217306 [0,1,0,0,0,0|2,0,1]=4 2122 B9R0.45 CCCOCCOCCF 7a_200015357709_100000210303 [0,1,0,0,0,0|2,0,1]=4 2123 B9R0.45 CCCOCCOCCI 34a_100012149058_100000210303 [0,1,0,0,0,0|2,0,1]=4 2124 B9R0.45 CCCOCCOCCI 7a_100012149058_100000210303 [0,1,0,0,0,0|2,0,1]=4 2125 B9R0.45 CCCOCCOCCN 34a_100000210304_100011215938 [0,1,0,0,0,0|2,0,1]=4 2126 B9R0.45 CCCOCCOCCN 34a_100000211614_100000210303 [0,1,0,0,0,0|2,0,1]=4 2127 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [0,1,0,0,0,0|1,0,1]=3 2128 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [0,1,0,0,0,0|1,0,1]=3 2129 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [0,1,0,0,0,0|1,0,1]=3 2130 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [0,1,0,0,0,0|2,0,1]=4 2131 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [0,1,0,0,0,0|2,0,1]=4 2132 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [0,1,0,0,0,0|2,0,1]=4 2133 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [0,1,0,0,0,0|2,0,1]=4 2134 B9R0.45 CCCOCCSCCF 62a_100011215938_100011217306 [0,1,0,0,0,0|2,0,1]=4 2135 B9R0.45 CCCOCCSCCF 62a_100011217306_100011215938 [0,1,0,0,0,0|2,0,1]=4 2136 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [0,1,0,0,0,0|1,0,1]=3 2137 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [0,1,0,0,0,0|1,0,1]=3 2138 B9R0.45 CCCOCCSCOC 62a_100000766300_100011215938 [0,1,0,0,0,0|2,0,1]=4 2139 B9R0.45 CCCOCCSCOC 62a_100011215938_100000766300 [0,1,0,0,0,0|2,0,1]=4 2140 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [0,1,0,0,0,0|1,0,2]=4 2141 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [0,1,0,0,0,0|1,0,2]=4 2142 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [0,1,0,0,0,0|0,0,2]=3 2143 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [0,1,0,0,0,0|0,0,2]=3 2144 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [0,1,0,0,0,0|1,0,2]=4 2145 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [0,1,0,0,0,0|1,0,2]=4 2146 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [0,1,0,0,0,0|2,0,1]=4 2147 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [0,1,0,0,0,0|2,0,1]=4 2148 B9R0.45 CCCSCCNCCF 2230a_100020603323_100011217306 [0,1,0,0,0,0|2,0,1]=4 2149 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [0,1,0,0,0,0|1,0,1]=3 2150 B9R0.45 CCCSCCNCOC 2230a_100020603323_100000766300 [0,1,0,0,0,0|2,0,1]=4 2151 B9R0.45 CCCSCCOCCF 34a_200000230433_100011217306 [0,1,0,0,0,0|2,0,1]=4 2152 B9R0.45 CCCSCCOCCF 7a_200000230433_100011217306 [0,1,0,0,0,0|2,0,1]=4 2153 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [0,1,0,0,0,0|1,0,1]=3 2154 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [0,1,0,0,0,0|1,0,1]=3 2155 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [0,1,0,0,0,0|1,0,1]=3 2156 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [0,1,0,0,0,0|1,0,1]=3 2157 B9R0.45 CCCSCOCCOC 62a_100000210303_100000231047 [0,1,0,0,0,0|2,0,1]=4 2158 B9R0.45 CCCSCOCCOC 62a_100000231047_100000210303 [0,1,0,0,0,0|2,0,1]=4 2159 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [0,1,0,0,0,0|1,0,2]=4 2160 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [0,1,0,0,0,0|0,0,2]=3 2161 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [0,1,0,0,0,0|0,0,2]=3 2162 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [0,1,0,0,0,0|0,0,2]=3 2163 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [0,1,0,0,0,0|1,0,2]=4 2164 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [0,1,0,0,0,0|1,0,2]=4 2165 B9R0.45 CCNCCOCCOC 2230a_100000745349_100000210202 [0,1,0,0,0,0|2,0,1]=4 2166 B9R0.45 CCNCCOCCOC 2230a_100015525214_100000695917 [0,1,0,0,0,0|2,0,1]=4 2167 B9R0.45 CCNCCOCCOC 34a_100000745349_100000210202 [0,1,0,0,0,0|2,0,1]=4 2168 B9R0.45 CCNN=CCCCCO 4a_100000756455_100000031955 [0,1,0,0,0,0|3,0,0]=4 2169 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [0,1,0,0,0,0|1,0,2]=4 2170 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [0,1,0,0,0,0|1,0,2]=4 2171 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [0,1,0,0,0,0|1,0,2]=4 2172 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [0,1,0,0,0,0|1,0,2]=4 2173 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [0,1,0,0,0,0|1,0,2]=4 2174 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [0,1,0,0,0,0|1,0,2]=4 2175 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [0,1,0,0,0,0|1,0,2]=4 2176 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [0,1,0,0,0,0|1,0,2]=4 2177 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [0,1,0,0,0,0|0,0,2]=3 2178 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [0,1,0,0,0,0|2,0,1]=4 2179 B9R0.45 CCOCCCNCCF 2230a_100000210961_100011217306 [0,1,0,0,0,0|2,0,1]=4 2180 B9R0.45 CCOCCCNCCF 34a_100000210961_100011217306 [0,1,0,0,0,0|2,0,1]=4 2181 B9R0.45 CCOCCCNCCF 34a_100000724931_100012232248 [0,1,0,0,0,0|2,0,1]=4 2182 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [0,1,0,0,0,0|1,0,1]=3 2183 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [0,1,0,0,0,0|1,0,1]=3 2184 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [0,1,0,0,0,0|1,0,1]=3 2185 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [0,1,0,0,0,0|1,0,1]=3 2186 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [0,1,0,0,0,0|2,0,1]=4 2187 B9R0.45 CCOCCCOCCBr 34a_100000211926_100012232248 [0,1,0,0,0,0|2,0,1]=4 2188 B9R0.45 CCOCCCOCCF 34a_100000757476_100011217306 [0,1,0,0,0,0|2,0,1]=4 2189 B9R0.45 CCOCCCOCCF 7a_100000757476_100011217306 [0,1,0,0,0,0|2,0,1]=4 2190 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [0,1,0,0,0,0|2,0,1]=4 2191 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [0,1,0,0,0,0|1,0,1]=3 2192 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [0,1,0,0,0,0|1,0,1]=3 2193 B9R0.45 CCOCCCSCCF 62a_100011217306_100012232248 [0,1,0,0,0,0|2,0,1]=4 2194 B9R0.45 CCOCCCSCCF 62a_100012232248_100011217306 [0,1,0,0,0,0|2,0,1]=4 2195 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [0,1,0,0,0,0|1,0,1]=3 2196 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [0,1,0,0,0,0|1,0,1]=3 2197 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [0,1,0,0,0,0|2,0,1]=4 2198 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [0,1,0,0,0,0|2,0,1]=4 2199 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [0,1,0,0,0,0|1,0,2]=4 2200 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [0,1,0,0,0,0|1,0,2]=4 2201 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [0,1,0,0,0,0|2,0,1]=4 2202 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [0,1,0,0,0,0|2,0,1]=4 2203 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [0,1,0,0,0,0|2,0,1]=4 2204 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [0,1,0,0,0,0|1,0,2]=4 2205 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [0,1,0,0,0,0|1,0,2]=4 2206 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [0,1,0,0,0,0|2,0,1]=4 2207 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [0,1,0,0,0,0|2,0,1]=4 2208 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [0,1,0,0,0,0|2,0,1]=4 2209 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [0,1,0,0,0,0|2,0,1]=4 2210 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [0,1,0,0,0,0|2,0,1]=4 2211 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [0,1,0,0,0,0|2,0,1]=4 2212 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [0,1,0,0,0,0|2,0,1]=4 2213 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [0,1,0,0,0,0|2,0,1]=4 2214 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [0,1,0,0,0,0|2,0,1]=4 2215 B9R0.45 CCOCCOCCON 34a_100000700252_100000210147 [0,1,0,0,0,0|2,0,1]=4 2216 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [0,1,0,0,0,0|2,0,1]=4 2217 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [0,1,0,0,0,0|2,0,1]=4 2218 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [0,1,0,0,0,0|1,0,2]=4 2219 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [0,1,0,0,0,0|1,0,2]=4 2220 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [0,1,0,0,0,0|2,0,1]=4 2221 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [0,1,0,0,0,0|2,0,1]=4 2222 B9R0.45 CCOCSCC#CCO 62a_100000739092_200000047223 [0,1,0,0,0,0|1,0,2]=4 2223 B9R0.45 CCOCSCC#CCO 62a_200000047223_100000739092 [0,1,0,0,0,0|1,0,2]=4 2224 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [0,1,0,0,0,0|1,0,2]=4 2225 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [0,1,0,0,0,0|1,0,2]=4 2226 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [0,1,0,0,0,0|1,0,2]=4 2227 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [0,1,0,0,0,0|1,0,2]=4 2228 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [0,1,0,0,0,0|0,0,2]=3 2229 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [0,1,0,0,0,0|0,0,2]=3 2230 B9R0.45 CCSCCCOCCF 34a_100011216438_100011217306 [0,1,0,0,0,0|2,0,1]=4 2231 B9R0.45 CCSCCCOCCF 7a_100011216438_100011217306 [0,1,0,0,0,0|2,0,1]=4 2232 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [0,1,0,0,0,0|1,0,1]=3 2233 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [0,1,0,0,0,0|1,0,1]=3 2234 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [0,1,0,0,0,0|1,0,2]=4 2235 B9R0.45 CCSCCNCCOC 2230a_100000106463_100011201679 [0,1,0,0,0,0|2,0,1]=4 2236 B9R0.45 CCSCCNCCOC 2230a_100000209980_100000757381 [0,1,0,0,0,0|2,0,1]=4 2237 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [0,1,0,0,0,0|1,0,2]=4 2238 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [0,1,0,0,0,0|1,0,2]=4 2239 B9R0.45 CCSCCOCCOC 34a_100000210237_100000757381 [0,1,0,0,0,0|2,0,1]=4 2240 B9R0.45 CCSCCOCCOC 34a_100000212035_100011201679 [0,1,0,0,0,0|2,0,1]=4 2241 B9R0.45 CCSCCOCCOC 62a_100000210202_100000695917 [0,1,0,0,0,0|2,0,1]=4 2242 B9R0.45 CCSCCOCCOC 62a_100000695917_100000210202 [0,1,0,0,0,0|2,0,1]=4 2243 B9R0.45 CCSCCOCCOC 7a_100000212035_100000233755 [0,1,0,0,0,0|2,0,1]=4 2244 B9R0.45 CCSCCOCCON 34a_100000700252_100000757381 [0,1,0,0,0,0|2,0,1]=4 2245 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [0,1,0,0,0,0|1,0,2]=4 2246 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [0,1,0,0,0,0|1,0,2]=4 2247 B9R0.45 CCSCCSCCOC 62a_100000233755_100000757381 [0,1,0,0,0,0|2,0,1]=4 2248 B9R0.45 CCSCCSCCOC 62a_100000757381_100000233755 [0,1,0,0,0,0|2,0,1]=4 2249 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [0,1,0,0,0,0|0,0,2]=3 2250 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [0,1,0,0,0,0|0,0,2]=3 2251 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [0,1,0,0,0,0|0,0,2]=3 2252 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [0,1,0,0,0,0|0,0,2]=3 2253 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [0,1,0,0,0,0|0,0,2]=3 2254 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [0,1,0,0,0,0|1,0,2]=4 2255 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [0,1,0,0,0,0|1,0,2]=4 2256 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [0,1,0,0,0,0|1,0,2]=4 2257 B9R0.45 CNCCCCCOCF 34a_100000722520_100015361967 [0,1,0,0,0,0|2,0,1]=4 2258 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [0,1,0,0,0,0|1,0,2]=4 2259 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [0,1,0,0,0,0|1,0,2]=4 2260 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [0,1,0,0,0,0|1,0,2]=4 2261 B9R0.45 CNCCCOCCOC 2230a_100000206027_200000210301 [0,1,0,0,0,0|2,0,1]=4 2262 B9R0.45 CNCCCOCCOC 2230a_106832991635_100011216529 [0,1,0,0,0,0|2,0,1]=4 2263 B9R0.45 CNCCCOCCOC 34a_100000206027_200000210301 [0,1,0,0,0,0|2,0,1]=4 2264 B9R0.45 CNCCCOCCOC 34a_100000213112_100011201679 [0,1,0,0,0,0|2,0,1]=4 2265 B9R0.45 CNCCCOCCOC 34a_100102657272_100011216529 [0,1,0,0,0,0|2,0,1]=4 2266 B9R0.45 CNCCCOCCOC 7a_106832991635_100011216529 [0,1,0,0,0,0|2,0,1]=4 2267 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [0,1,0,0,0,0|1,0,2]=4 2268 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [0,1,0,0,0,0|1,0,2]=4 2269 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [0,1,0,0,0,0|1,0,2]=4 2270 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [0,1,0,0,0,0|0,0,2]=3 2271 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [0,1,0,0,0,0|1,0,2]=4 2272 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [0,1,0,0,0,0|1,0,2]=4 2273 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [0,1,0,0,0,0|1,0,2]=4 2274 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [0,1,0,0,0,0|1,0,2]=4 2275 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [0,1,0,0,0,0|1,0,2]=4 2276 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [0,1,0,0,0,0|1,0,2]=4 2277 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [0,1,0,0,0,0|1,0,2]=4 2278 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [0,1,0,0,0,0|1,0,2]=4 2279 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [0,1,0,0,0,0|1,0,2]=4 2280 B9R0.45 COCCCCCNCF 34a_100000747528_100015361967 [0,1,0,0,0,0|2,0,1]=4 2281 B9R0.45 COCCCCNCCF 34a_100000724931_100000755781 [0,1,0,0,0,0|2,0,1]=4 2282 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [0,1,0,0,0,0|1,0,1]=3 2283 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [0,1,0,0,0,0|1,0,1]=3 2284 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [0,1,0,0,0,0|2,0,1]=4 2285 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [0,1,0,0,0,0|2,0,1]=4 2286 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [0,1,0,0,0,0|2,0,1]=4 2287 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [0,1,0,0,0,0|1,0,1]=3 2288 B9R0.45 COCCCCSCCF 62a_100000730899_100011217306 [0,1,0,0,0,0|2,0,1]=4 2289 B9R0.45 COCCCCSCCF 62a_100011217306_100000730899 [0,1,0,0,0,0|2,0,1]=4 2290 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [0,1,0,0,0,0|1,0,1]=3 2291 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [0,1,0,0,0,0|1,0,1]=3 2292 B9R0.45 COCCCCSCOC 62a_100000730899_100000766300 [0,1,0,0,0,0|2,0,1]=4 2293 B9R0.45 COCCCCSCOC 62a_100000766300_100000730899 [0,1,0,0,0,0|2,0,1]=4 2294 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [0,1,0,0,0,0|1,0,2]=4 2295 B9R0.45 COCCCNCCOC 2230a_100000209980_100000740836 [0,1,0,0,0,0|2,0,1]=4 2296 B9R0.45 COCCCNCCOC 34a_100150723488_100011201679 [0,1,0,0,0,0|2,0,1]=4 2297 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [0,1,0,0,0,0|1,0,2]=4 2298 B9R0.45 COCCCOCCOC 34a_100000210237_100000740836 [0,1,0,0,0,0|2,0,1]=4 2299 B9R0.45 COCCCOCCOC 34a_100000740835_100011201679 [0,1,0,0,0,0|2,0,1]=4 2300 B9R0.45 COCCCOCCOC 34a_100138415774_100011216529 [0,1,0,0,0,0|2,0,1]=4 2301 B9R0.45 COCCCOCCON 34a_100000700252_100000740836 [0,1,0,0,0,0|2,0,1]=4 2302 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [0,1,0,0,0,0|1,0,2]=4 2303 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [0,1,0,0,0,0|1,0,2]=4 2304 B9R0.45 COCCCSCCOC 62a_100000233755_100000709357 [0,1,0,0,0,0|2,0,1]=4 2305 B9R0.45 COCCCSCCOC 62a_100000709357_100000233755 [0,1,0,0,0,0|2,0,1]=4 2306 B9R0.45 COCCNCC#CCO 2230a_100000209980_200000047223 [0,1,0,0,0,0|1,0,2]=4 2307 B9R0.45 COCCNCCCCF 2230a_100000209980_100000729493 [0,1,0,0,0,0|2,0,1]=4 2308 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [0,1,0,0,0,0|1,0,2]=4 2309 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [0,1,0,0,0,0|1,0,2]=4 2310 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [0,1,0,0,0,0|1,0,2]=4 2311 B9R0.45 COCCNCCCSC 2230a_100000749238_100011201679 [0,1,0,0,0,0|2,0,1]=4 2312 B9R0.45 COCCOCC#CCO 34a_100000210237_200000047223 [0,1,0,0,0,0|1,0,2]=4 2313 B9R0.45 COCCOCCCCBr 34a_100011216708_100011201679 [0,1,0,0,0,0|2,0,1]=4 2314 B9R0.45 COCCOCCCCCl 34a_100000210776_100011201679 [0,1,0,0,0,0|2,0,1]=4 2315 B9R0.45 COCCOCCCCCl 7a_100000210776_100000233755 [0,1,0,0,0,0|2,0,1]=4 2316 B9R0.45 COCCOCCCCF 34a_100000210237_100000729493 [0,1,0,0,0,0|2,0,1]=4 2317 B9R0.45 COCCOCCCCF 34a_100011995726_100011201679 [0,1,0,0,0,0|2,0,1]=4 2318 B9R0.45 COCCOCCCCF 7a_100011995726_100000233755 [0,1,0,0,0,0|2,0,1]=4 2319 B9R0.45 COCCOCCCCI 34a_200012148704_100011201679 [0,1,0,0,0,0|2,0,1]=4 2320 B9R0.45 COCCOCCCCN 34a_100000750430_100011201679 [0,1,0,0,0,0|2,0,1]=4 2321 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [0,1,0,0,0,0|1,0,2]=4 2322 B9R0.45 COCCOCCCN[13CH3] 2230a_100000206027_200025704644 [0,1,0,0,0,0|2,0,1]=4 2323 B9R0.45 COCCOCCCN[13CH3] 34a_100000206027_200025704644 [0,1,0,0,0,0|2,0,1]=4 2324 B9R0.45 COCCOCCCSC 34a_100000690336_100011201679 [0,1,0,0,0,0|2,0,1]=4 2325 B9R0.45 COCCOCCCSC 62a_100011216529_200000210301 [0,1,0,0,0,0|2,0,1]=4 2326 B9R0.45 COCCOCCCSC 62a_200000210301_100011216529 [0,1,0,0,0,0|2,0,1]=4 2327 B9R0.45 COCCOCCCSC 7a_100000690336_100000233755 [0,1,0,0,0,0|2,0,1]=4 2328 B9R0.45 COCCOCCCS[13CH3] 62a_100011216529_200025704644 [0,1,0,0,0,0|2,0,1]=4 2329 B9R0.45 COCCOCCCS[13CH3] 62a_200025704644_100011216529 [0,1,0,0,0,0|2,0,1]=4 2330 B9R0.45 COCCOCNCCO 2230a_100016997473_100000231047 [0,1,0,0,0,0|2,0,1]=4 2331 B9R0.45 COCCOCSCCO 62a_100000211926_100000231047 [0,1,0,0,0,0|2,0,1]=4 2332 B9R0.45 COCCOCSCCO 62a_100000231047_100000211926 [0,1,0,0,0,0|2,0,1]=4 2333 B9R0.45 COCCSCC#CCO 62a_100000233755_200000047223 [0,1,0,0,0,0|1,0,2]=4 2334 B9R0.45 COCCSCC#CCO 62a_200000047223_100000233755 [0,1,0,0,0,0|1,0,2]=4 2335 B9R0.45 COCCSCCCCF 62a_100000233755_100000729493 [0,1,0,0,0,0|2,0,1]=4 2336 B9R0.45 COCCSCCCCF 62a_100000729493_100000233755 [0,1,0,0,0,0|2,0,1]=4 2337 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [0,1,0,0,0,0|1,0,2]=4 2338 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [0,1,0,0,0,0|1,0,2]=4 2339 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [0,1,0,0,0,0|1,0,2]=4 2340 B9R0.45 COCNCCOCCO 2230a_100000211614_100000766300 [0,1,0,0,0,0|2,0,1]=4 2341 B9R0.45 COCNCCSCCO 2230a_100011219999_100000766300 [0,1,0,0,0,0|2,0,1]=4 2342 B9R0.45 COCSCCCCCF 62a_100000729378_100000766300 [0,1,0,0,0,0|2,0,1]=4 2343 B9R0.45 COCSCCCCCF 62a_100000766300_100000729378 [0,1,0,0,0,0|2,0,1]=4 2344 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [0,1,0,0,0,0|1,0,2]=4 2345 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [0,1,0,0,0,0|1,0,2]=4 2346 B9R0.45 COCSCCOCCO 62a_100000766300_100011215305 [0,1,0,0,0,0|2,0,1]=4 2347 B9R0.45 COCSCCOCCO 62a_100011215305_100000766300 [0,1,0,0,0,0|2,0,1]=4 2348 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [0,1,0,0,0,0|0,0,2]=3 2349 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [0,1,0,0,0,0|0,0,2]=3 2350 B9R0.45 CSCCCCOCCF 34a_100011217163_100011217306 [0,1,0,0,0,0|2,0,1]=4 2351 B9R0.45 CSCCCCOCCF 7a_100011217163_100011217306 [0,1,0,0,0,0|2,0,1]=4 2352 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [0,1,0,0,0,0|1,0,1]=3 2353 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [0,1,0,0,0,0|1,0,1]=3 2354 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [0,1,0,0,0,0|1,0,2]=4 2355 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [0,1,0,0,0,0|1,0,2]=4 2356 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [0,1,0,0,0,0|1,0,2]=4 2357 B9R0.45 CSCCNCC#CCO 2230a_100020590264_200000047223 [0,1,0,0,0,0|1,0,2]=4 2358 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [0,1,0,0,0,0|1,0,2]=4 2359 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [0,1,0,0,0,0|1,0,2]=4 2360 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [0,1,0,0,0,0|1,0,2]=4 2361 B9R0.45 CSCCOCC#CCO 34a_100000230434_200000047223 [0,1,0,0,0,0|1,0,2]=4 2362 B9R0.45 CSCCOCC#CCO 7a_100000230434_200000047223 [0,1,0,0,0,0|1,0,2]=4 2363 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [0,1,0,0,0,0|1,0,2]=4 2364 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [0,1,0,0,0,0|1,0,2]=4 2365 B9R0.45 CSCCSCC#CCO 62a_100000212216_200000047223 [0,1,0,0,0,0|1,0,2]=4 2366 B9R0.45 CSCCSCC#CCO 62a_200000047223_100000751147 [0,1,0,0,0,0|1,0,2]=4 2367 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [0,1,0,0,0,0|1,0,2]=4 2368 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [0,1,0,0,0,0|1,0,2]=4 2369 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [0,1,0,0,0,0|1,0,2]=4 2370 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [0,1,0,0,0,0|1,0,2]=4 2371 B9R0.45 CSCNCCOCCO 2230a_100000211614_100011218213 [0,1,0,0,0,0|2,0,1]=4 2372 B9R0.45 CSCNCCOCCO 34a_100000211614_100011218213 [0,1,0,0,0,0|2,0,1]=4 2373 B9R0.45 CSCNCCSCCO 2230a_100011219999_100011218213 [0,1,0,0,0,0|2,0,1]=4 2374 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [0,1,0,0,0,0|1,0,2]=4 2375 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [0,1,0,0,0,0|1,0,2]=4 2376 B9R0.45 CSCSCCOCCO 62a_100011215305_100011218213 [0,1,0,0,0,0|2,0,1]=4 2377 B9R0.45 CSCSCCOCCO 62a_100011218213_100011215305 [0,1,0,0,0,0|2,0,1]=4 2378 B9R0.45 FCCCCCCOCF 34a_100000732779_100015361967 [0,1,0,0,0,0|2,0,1]=4 2379 B9R0.45 FCCCCCCOCF 7a_100000732779_100015361967 [0,1,0,0,0,0|2,0,1]=4 2380 B9R0.45 FCCCCCCSCF 62a_100015361967_100015922095 [0,1,0,0,0,0|2,0,1]=4 2381 B9R0.45 FCCCCCCSCF 62a_100015922095_100015361967 [0,1,0,0,0,0|2,0,1]=4 2382 B9R0.45 FCCCCCNCCF 34a_100000724931_100000729378 [0,1,0,0,0,0|2,0,1]=4 2383 B9R0.45 FCCCCCOCCBr 34a_100000211926_100000729378 [0,1,0,0,0,0|2,0,1]=4 2384 B9R0.45 FCCCCCSCCF 62a_100000729378_100011217306 [0,1,0,0,0,0|2,0,1]=4 2385 B9R0.45 FCCCCCSCCF 62a_100011217306_100000729378 [0,1,0,0,0,0|2,0,1]=4 2386 B9R0.45 FCCOCCCCCBr 34a_100000746331_100011217306 [0,1,0,0,0,0|2,0,1]=4 2387 B9R0.45 FCCOCCCCCBr 7a_100000746331_100011217306 [0,1,0,0,0,0|2,0,1]=4 2388 B9R0.45 FCCOCCCCCCl 34a_100000746330_100011217306 [0,1,0,0,0,0|2,0,1]=4 2389 B9R0.45 FCCOCCCCCCl 7a_100000746330_100011217306 [0,1,0,0,0,0|2,0,1]=4 2390 B9R0.45 FCCOCCCCCI 34a_200012148887_100011217306 [0,1,0,0,0,0|2,0,1]=4 2391 B9R0.45 FCCOCCCCCI 7a_200012148887_100011217306 [0,1,0,0,0,0|2,0,1]=4 2392 B9R0.45 FCOCCCCCCBr 34a_100011215345_100015361967 [0,1,0,0,0,0|2,0,1]=4 2393 B9R0.45 FCOCCCCCCBr 7a_100011215345_100015361967 [0,1,0,0,0,0|2,0,1]=4 2394 B9R0.45 FCOCCCCCCCl 34a_100000766143_100015361967 [0,1,0,0,0,0|2,0,1]=4 2395 B9R0.45 FCOCCCCCCCl 7a_100000766143_100015361967 [0,1,0,0,0,0|2,0,1]=4 2396 B9R0.45 N#CCCCCNCCO 2230a_100016997473_100000211819 [0,1,0,0,0,0|1,0,2]=4 2397 B9R0.45 N#CCCCCSCCO 62a_100000211926_100000211819 [0,1,0,0,0,0|1,0,2]=4 2398 B9R0.45 N#CCCCCSCCO 62a_100011219923_100000211926 [0,1,0,0,0,0|1,0,2]=4 2399 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [0,1,0,0,0,0|2,0,1]=4 2400 B9R0.45 NCCCCCOCCF 34a_100000762737_100011217306 [0,1,0,0,0,0|2,0,1]=4 2401 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [0,1,0,0,0,0|1,0,1]=3 2402 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [0,1,0,0,0,0|1,0,2]=4 2403 B9R0.45 NCCCOCC#CCO 34a_100000182051_200000047223 [0,1,0,0,0,0|1,0,2]=4 2404 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [0,1,0,0,0,0|1,0,2]=4 2405 B9R0.45 NCCOCCCCCF 34a_100000210304_100000729378 [0,1,0,0,0,0|2,0,1]=4 2406 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [0,1,0,0,0,0|1,0,2]=4 2407 B9R0.45 NCCOCCOCCO 34a_100000210304_100000692535 [0,1,0,0,0,0|2,0,1]=4 2408 B9R0.45 NCCOCCOCCO 34a_100000211614_100000211926 [0,1,0,0,0,0|2,0,1]=4 2409 B9R0.45 NOCCOCCCCF 34a_100000700252_100000729493 [0,1,0,0,0,0|2,0,1]=4 2410 B9R0.45 NOCCOCCCCO 34a_100000700252_100011216708 [0,1,0,0,0,0|2,0,1]=4 2411 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [0,1,0,0,0,0|1,0,2]=4 2412 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [0,1,0,0,0,0|1,0,2]=4 2413 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [0,1,0,0,0,0|1,0,2]=4 2414 B9R0.45 OCC#CCNCCCF 2230a_100015189416_200000047223 [0,1,0,0,0,0|1,0,2]=4 2415 B9R0.45 OCC#CCNCCCF 34a_100015189416_200000047223 [0,1,0,0,0,0|1,0,2]=4 2416 B9R0.45 OCC#CCOCCCBr 34a_100011217188_200000047223 [0,1,0,0,0,0|1,0,2]=4 2417 B9R0.45 OCC#CCOCCCCl 34a_100000230001_200000047223 [0,1,0,0,0,0|1,0,2]=4 2418 B9R0.45 OCC#CCOCCCF 34a_100000759539_200000047223 [0,1,0,0,0,0|1,0,2]=4 2419 B9R0.45 OCC#CCSCCCF 62a_100011934791_200000047223 [0,1,0,0,0,0|1,0,2]=4 2420 B9R0.45 OCC#CCSCCCF 62a_200000047223_100011934791 [0,1,0,0,0,0|1,0,2]=4 2421 B9R0.45 OCC#CCSCCCO 62a_100011215043_200000047223 [0,1,0,0,0,0|1,0,2]=4 2422 B9R0.45 OCC#CCSCCCO 62a_200000047223_100011215043 [0,1,0,0,0,0|1,0,2]=4 2423 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [0,1,0,0,0,0|1,0,2]=4 2424 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [0,1,0,0,0,0|1,0,2]=4 2425 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [0,1,0,0,0,0|1,0,2]=4 2426 B9R0.45 OCCCCCNCCF 2230a_100000762737_100011217306 [0,1,0,0,0,0|1,0,2]=4 2427 B9R0.45 OCCCCCNCCF 34a_100000724931_100000746330 [0,1,0,0,0,0|1,0,2]=4 2428 B9R0.45 OCCCCCNCCF 34a_100000762737_100011217306 [0,1,0,0,0,0|1,0,2]=4 2429 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [0,1,0,0,0,0|1,0,1]=3 2430 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [0,1,0,0,0,0|1,0,1]=3 2431 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [0,1,0,0,0,0|1,0,1]=3 2432 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [0,1,0,0,0,0|1,0,1]=3 2433 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [0,1,0,0,0,0|1,0,2]=4 2434 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [0,1,0,0,0,0|1,0,2]=4 2435 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [0,1,0,0,0,0|1,0,2]=4 2436 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [0,1,0,0,0,0|1,0,1]=3 2437 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [0,1,0,0,0,0|1,0,1]=3 2438 B9R0.45 OCCCCNCCCF 2230a_100000750430_100011934791 [0,1,0,0,0,0|1,0,2]=4 2439 B9R0.45 OCCCCNCCCF 2230a_100015189416_100000210776 [0,1,0,0,0,0|1,0,2]=4 2440 B9R0.45 OCCCCNCCCF 34a_100000750430_100011934791 [0,1,0,0,0,0|1,0,2]=4 2441 B9R0.45 OCCCCNCCCF 34a_100015189416_100011216708 [0,1,0,0,0,0|1,0,2]=4 2442 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [0,1,0,0,0,0|1,0,2]=4 2443 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [0,1,0,0,0,0|1,0,2]=4 2444 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [0,1,0,0,0,0|1,0,2]=4 2445 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [0,1,0,0,0,0|1,0,2]=4 2446 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [0,1,0,0,0,0|1,0,2]=4 2447 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [0,1,0,0,0,0|1,0,2]=4 2448 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [0,1,0,0,0,0|1,0,2]=4 2449 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [0,1,0,0,0,0|1,0,2]=4 2450 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [0,1,0,0,0,0|1,0,2]=4 2451 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [0,1,0,0,0,0|1,0,2]=4 2452 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [0,1,0,0,0,0|1,0,2]=4 2453 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [0,1,0,0,0,0|1,0,2]=4 2454 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [0,1,0,0,0,0|1,0,2]=4 2455 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [0,1,0,0,0,0|1,0,2]=4 2456 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [0,1,0,0,0,0|1,0,2]=4 2457 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [0,1,0,0,0,0|1,0,2]=4 2458 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [0,1,0,0,0,0|1,0,2]=4 2459 B9R0.45 OCCNCCCCCF 2230a_100016997473_100000729378 [0,1,0,0,0,0|1,0,1]=3 2460 B9R0.45 OCCNCCCCCF 34a_100016990907_100000729378 [0,1,0,0,0,0|1,0,1]=3 2461 B9R0.45 OCCNCCOCCO 2230a_100000211614_100000211926 [0,1,0,0,0,0|2,0,1]=4 2462 B9R0.45 OCCNCCOCCO 2230a_100016997473_100011215305 [0,1,0,0,0,0|2,0,1]=4 2463 B9R0.45 OCCNCCOCCO 34a_100000211614_100000211926 [0,1,0,0,0,0|2,0,1]=4 2464 B9R0.45 OCCNCCOCCO 34a_100016990907_100000692535 [0,1,0,0,0,0|2,0,1]=4 2465 B9R0.45 OCCNCCSCCO 2230a_100011219999_100000211926 [0,1,0,0,0,0|2,0,1]=4 2466 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [0,1,0,0,0,0|1,0,1]=3 2467 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [0,1,0,0,0,0|1,0,1]=3 2468 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [0,1,0,0,0,0|1,0,1]=3 2469 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [0,1,0,0,0,0|1,0,1]=3 2470 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [0,1,0,0,0,0|1,0,1]=3 2471 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [0,1,0,0,0,0|1,0,1]=3 2472 B9R0.45 OCCOCCNCCF 2230a_100000211614_100011217306 [0,1,0,0,0,0|2,0,1]=4 2473 B9R0.45 OCCOCCNCCF 34a_100000211614_100011217306 [0,1,0,0,0,0|2,0,1]=4 2474 B9R0.45 OCCOCCNCCF 34a_100000724931_100000692535 [0,1,0,0,0,0|2,0,1]=4 2475 B9R0.45 OCCOCCOCCBr 34a_100000211926_100000692535 [0,1,0,0,0,0|2,0,1]=4 2476 B9R0.45 OCCOCCOCCBr 34a_100000692535_100000211926 [0,1,0,0,0,0|2,0,1]=4 2477 B9R0.45 OCCOCCOCCBr 7a_100000692535_100000211926 [0,1,0,0,0,0|2,0,1]=4 2478 B9R0.45 OCCOCCOCCCl 34a_100011215305_100000211926 [0,1,0,0,0,0|2,0,1]=4 2479 B9R0.45 OCCOCCOCCCl 7a_100011215305_100000211926 [0,1,0,0,0,0|2,0,1]=4 2480 B9R0.45 OCCOCCOCCF 34a_200015357709_100000211926 [0,1,0,0,0,0|2,0,1]=4 2481 B9R0.45 OCCOCCOCCF 7a_200015357709_100000211926 [0,1,0,0,0,0|2,0,1]=4 2482 B9R0.45 OCCOCCOCCI 34a_100012149058_100000211926 [0,1,0,0,0,0|2,0,1]=4 2483 B9R0.45 OCCOCCOCCI 7a_100012149058_100000211926 [0,1,0,0,0,0|2,0,1]=4 2484 B9R0.45 OCCOCCSCCF 62a_100011215305_100011217306 [0,1,0,0,0,0|2,0,1]=4 2485 B9R0.45 OCCOCCSCCF 62a_100011217306_100011215305 [0,1,0,0,0,0|2,0,1]=4 2486 B9R0.45 OCCOCCSCCO 62a_100000211926_100011215305 [0,1,0,0,0,0|2,0,1]=4 2487 B9R0.45 OCCOCCSCCO 62a_100011215305_100000211926 [0,1,0,0,0,0|2,0,1]=4 2488 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [0,1,0,0,0,0|1,0,1]=3 2489 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [0,1,0,0,0,0|1,0,1]=3 2490 B9R0.45 OCCSCCNCCF 2230a_100011219999_100011217306 [0,1,0,0,0,0|2,0,1]=4 2491 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [0,1,0,0,0,0|0,0,2]=3 2492 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [0,1,0,0,0,0|0,0,2]=3 2493 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [0,1,0,0,0,0|1,0,2]=4 2494 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [0,1,0,0,0,0|1,0,2]=4 2495 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [0,1,0,0,0,0|1,0,2]=4 2496 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [0,1,0,0,0,0|1,0,2]=4 2497 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [0,1,0,0,0,0|1,0,2]=4 2498 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [0,1,0,0,0,0|0,0,2]=3 2499 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [0,1,0,0,0,0|0,0,2]=3 2500 B9R0.46 C#C/C(=C\COCCC)/C 34a_100016990848_100000210303 [0,1,0,0,0,0|2,0,1]=4 2501 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,1,0,0,0,0|1,0,2]=4 2502 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [0,1,0,0,0,0|0,0,3]=4 2503 B9R0.46 C#CCCCNC(=O)CO 240690a_100000718082_100000210174 [0,1,0,0,0,0|1,0,2]=4 2504 B9R0.46 C#CCCCNC(=O)CO 527a_100000718082_100000210174 [0,1,0,0,0,0|1,0,2]=4 2505 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,1,0,0,0,0|1,0,2]=4 2506 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [0,1,0,0,0,0|2,0,1]=4 2507 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [0,1,0,0,0,0|2,0,1]=4 2508 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [0,1,0,0,0,0|0,0,3]=4 2509 B9R0.46 C=CCCCNC(=O)CO 240690a_100000700776_100000210174 [0,1,0,0,0,0|1,0,2]=4 2510 B9R0.46 C=CCCCNC(=O)CO 527a_100000700776_100000210174 [0,1,0,0,0,0|1,0,2]=4 2511 B9R0.46 CC(CO)CCNCCO 2230a_106354213184_100000211926 [0,1,0,0,0,0|2,0,1]=4 2512 B9R0.46 CC(CO)CCNCCO 34a_106354213184_100000211926 [0,1,0,0,0,0|2,0,1]=4 2513 B9R0.46 CC(CO)NCCCCO 2230a_100000750430_100012180447 [0,1,0,0,0,0|2,0,1]=4 2514 B9R0.46 CC(CO)NCCCCO 34a_100000750430_100012180447 [0,1,0,0,0,0|2,0,1]=4 2515 B9R0.46 CC(CO)OCCCCBr 34a_100011216708_100012180447 [0,1,0,0,0,0|2,0,1]=4 2516 B9R0.46 CC(CO)OCCCCCl 34a_100000210776_100012180447 [0,1,0,0,0,0|2,0,1]=4 2517 B9R0.46 CC(CO)OCCCCCl 7a_100000210776_100012180447 [0,1,0,0,0,0|2,0,1]=4 2518 B9R0.46 CC(CO)OCCCCF 34a_100011995726_100012180447 [0,1,0,0,0,0|2,0,1]=4 2519 B9R0.46 CC(CO)OCCCCF 7a_100011995726_100012180447 [0,1,0,0,0,0|2,0,1]=4 2520 B9R0.46 CC(CO)OCCCCI 34a_200012148704_100012180447 [0,1,0,0,0,0|2,0,1]=4 2521 B9R0.46 CC(CO)OCCCCN 34a_100000750430_100012180447 [0,1,0,0,0,0|2,0,1]=4 2522 B9R0.46 CC(CO)SCCCCF 62a_100012180447_100000729493 [0,1,0,0,0,0|2,0,1]=4 2523 B9R0.46 CC(CO)SCCCCO 62a_100012180447_100000210776 [0,1,0,0,0,0|2,0,1]=4 2524 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [0,1,0,0,0,0|1,0,1]=3 2525 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,1,0,0,0,0|0,0,3]=4 2526 B9R0.46 CC/C=C\CCN(C)CC 2230a_100000225621_100015370543 [0,1,0,0,0,0|2,0,0]=3 2527 B9R0.46 CC/C=C\CCN(C)CC 269982a_100000225621_100015370543 [0,1,0,0,0,0|2,0,0]=3 2528 B9R0.46 CC/C=C\CNC(C)CC 2230a_100000209981_100103147603 [0,1,0,0,0,0|2,0,0]=3 2529 B9R0.46 CC/C=C\CN[C@H](C)CO 2230a_100000737577_100103147603 [0,1,0,0,0,0|3,0,0]=4 2530 B9R0.46 CC/C=C\COC(C)CC 34a_100016268518_100011215416 [0,1,0,0,0,0|2,0,0]=3 2531 B9R0.46 CC/C=C\COC(C)CC 7a_100000210228_100103147603 [0,1,0,0,0,0|2,0,0]=3 2532 B9R0.46 CC/C=C\COC(C)CF 34a_100016041109_100103147603 [0,1,0,0,0,0|3,0,0]=4 2533 B9R0.46 CC/C=C\COC(C)CF 7a_100016041109_100103147603 [0,1,0,0,0,0|3,0,0]=4 2534 B9R0.46 CC/C=C\COC(C)CN 34a_100000210904_100103147603 [0,1,0,0,0,0|3,0,0]=4 2535 B9R0.46 CC/C=C\COC(C)CO 34a_100016268518_100012180447 [0,1,0,0,0,0|3,0,0]=4 2536 B9R0.46 CC/C=C\CSC(C)CC 62a_100000758301_100103147603 [0,1,0,0,0,0|2,0,0]=3 2537 B9R0.46 CC/C=C\CSC(C)CC 62a_100103147603_100000758301 [0,1,0,0,0,0|2,0,0]=3 2538 B9R0.46 CC/C=C\CSC(C)CO 62a_100012180447_100103147603 [0,1,0,0,0,0|3,0,0]=4 2539 B9R0.46 CC/C=C\CSC(C)OC 62a_100009879195_100103147603 [0,1,0,0,0,0|3,0,0]=4 2540 B9R0.46 CC/C=C\CSC(C)OC 62a_100103147603_100009879195 [0,1,0,0,0,0|3,0,0]=4 2541 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100016084084_100103147603 [0,1,0,0,0,0|3,0,0]=4 2542 B9R0.46 CC/C=C\CS[C@H](C)CO 62a_100103147603_100016084084 [0,1,0,0,0,0|3,0,0]=4 2543 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,1,0,0,0,0|2,0,1]=4 2544 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,1,0,0,0,0|0,0,3]=4 2545 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,1,0,0,0,0|0,0,3]=4 2546 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,1,0,0,0,0|2,0,1]=4 2547 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [0,1,0,0,0,0|1,0,2]=4 2548 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [0,1,0,0,0,0|1,0,2]=4 2549 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,1,0,0,0,0|3,0,0]=4 2550 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,1,0,0,0,0|3,0,0]=4 2551 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,1,0,0,0,0|3,0,0]=4 2552 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,1,0,0,0,0|3,0,0]=4 2553 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,1,0,0,0,0|3,0,0]=4 2554 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [0,1,0,0,0,0|3,0,0]=4 2555 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [0,1,0,0,0,0|3,0,0]=4 2556 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [0,1,0,0,0,0|3,0,0]=4 2557 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [0,1,0,0,0,0|3,0,0]=4 2558 B9R0.46 CCC(C)CCCOCF 7a_100011216074_100015361967 [0,1,0,0,0,0|2,0,1]=4 2559 B9R0.46 CCC(C)CCNCCF 2230a_100020591266_100011217306 [0,1,0,0,0,0|2,0,1]=4 2560 B9R0.46 CCC(C)CCNCCO 2230a_100020591266_100000211926 [0,1,0,0,0,0|1,0,1]=3 2561 B9R0.46 CCC(C)CCOCCF 7a_100011215188_100011217306 [0,1,0,0,0,0|2,0,1]=4 2562 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [0,1,0,0,0,0|1,0,1]=3 2563 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [0,1,0,0,0,0|1,0,2]=4 2564 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [0,1,0,0,0,0|1,0,2]=4 2565 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [0,1,0,0,0,0|1,0,2]=4 2566 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [0,1,0,0,0,0|1,0,2]=4 2567 B9R0.46 CCC(C)NCC#CCO 2230a_100000209981_200000047223 [0,1,0,0,0,0|1,0,2]=4 2568 B9R0.46 CCC(C)NCCCCO 2230a_100000209981_100000210776 [0,1,0,0,0,0|1,0,2]=4 2569 B9R0.46 CCC(C)NCCCCO 2230a_100000750430_100000758301 [0,1,0,0,0,0|1,0,2]=4 2570 B9R0.46 CCC(C)NCCCCO 34a_100000750430_100011215416 [0,1,0,0,0,0|1,0,2]=4 2571 B9R0.46 CCC(C)OCC#CCO 7a_100000210228_200000047223 [0,1,0,0,0,0|1,0,2]=4 2572 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [0,1,0,0,0,0|1,0,2]=4 2573 B9R0.46 CCC(C)SCC#CCO 62a_100000758301_200000047223 [0,1,0,0,0,0|1,0,2]=4 2574 B9R0.46 CCC(C)SCC#CCO 62a_200000047223_100000758301 [0,1,0,0,0,0|1,0,2]=4 2575 B9R0.46 CCC(C)SCCCCO 62a_100000210776_100000758301 [0,1,0,0,0,0|1,0,2]=4 2576 B9R0.46 CCC(C)SCCCCO 62a_100000758301_100000210776 [0,1,0,0,0,0|1,0,2]=4 2577 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [0,1,0,0,0,0|1,0,2]=4 2578 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [0,1,0,0,0,0|1,0,2]=4 2579 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [0,1,0,0,0,0|1,0,2]=4 2580 B9R0.46 CCC=NNCC(O)CC 4a_100015206393_100000210100 [0,1,0,0,0,0|3,0,0]=4 2581 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,1,0,0,0,0|1,0,1]=3 2582 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [0,1,0,0,0,0|1,0,1]=3 2583 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,1,0,0,0,0|2,0,1]=4 2584 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,1,0,0,0,0|2,0,1]=4 2585 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,1,0,0,0,0|2,0,1]=4 2586 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,1,0,0,0,0|1,0,1]=3 2587 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,1,0,0,0,0|1,0,1]=3 2588 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,1,0,0,0,0|1,0,1]=3 2589 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,1,0,0,0,0|0,0,1]=2 2590 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,1,0,0,0,0|2,0,1]=4 2591 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,1,0,0,0,0|2,0,1]=4 2592 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,1,0,0,0,0|2,0,1]=4 2593 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,1,0,0,0,0|2,0,1]=4 2594 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [0,1,0,0,0,0|2,0,1]=4 2595 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [0,1,0,0,0,0|2,0,1]=4 2596 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [0,1,0,0,0,0|2,0,1]=4 2597 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [0,1,0,0,0,0|2,0,1]=4 2598 B9R0.46 CCCCCCN(C)CF 269982a_106256046315_100015361967 [0,1,0,0,0,0|2,0,1]=4 2599 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,1,0,0,0,0|2,0,0]=3 2600 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,1,0,0,0,0|2,0,0]=3 2601 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,1,0,0,0,0|2,0,0]=3 2602 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,1,0,0,0,0|2,0,0]=3 2603 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,1,0,0,0,0|1,0,0]=2 2604 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,1,0,0,0,0|1,0,0]=2 2605 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,1,0,0,0,0|3,0,0]=4 2606 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,1,0,0,0,0|3,0,0]=4 2607 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,1,0,0,0,0|3,0,0]=4 2608 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,1,0,0,0,0|3,0,0]=4 2609 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,1,0,0,0,0|3,0,0]=4 2610 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,1,0,0,0,0|3,0,0]=4 2611 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [0,1,0,0,0,0|2,0,1]=4 2612 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [0,1,0,0,0,0|2,0,1]=4 2613 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [0,1,0,0,0,0|1,0,1]=3 2614 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [0,1,0,0,0,0|1,0,1]=3 2615 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [0,1,0,0,0,0|2,0,1]=4 2616 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [0,1,0,0,0,0|2,0,1]=4 2617 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [0,1,0,0,0,0|2,0,1]=4 2618 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [0,1,0,0,0,0|2,0,1]=4 2619 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [0,1,0,0,0,0|2,0,1]=4 2620 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [0,1,0,0,0,0|2,0,1]=4 2621 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [0,1,0,0,0,0|1,0,1]=3 2622 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [0,1,0,0,0,0|1,0,1]=3 2623 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [0,1,0,0,0,0|2,0,1]=4 2624 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [0,1,0,0,0,0|2,0,1]=4 2625 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [0,1,0,0,0,0|1,0,1]=3 2626 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [0,1,0,0,0,0|1,0,1]=3 2627 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [0,1,0,0,0,0|1,0,1]=3 2628 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,1,0,0,0,0|2,0,1]=4 2629 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [0,1,0,0,0,0|1,0,2]=4 2630 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [0,1,0,0,0,0|1,0,2]=4 2631 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [0,1,0,0,0,0|1,0,2]=4 2632 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [0,1,0,0,0,0|1,0,2]=4 2633 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [0,1,0,0,0,0|1,0,2]=4 2634 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [0,1,0,0,0,0|1,0,2]=4 2635 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [0,1,0,0,0,0|1,0,2]=4 2636 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [0,1,0,0,0,0|1,0,2]=4 2637 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [0,1,0,0,0,0|1,0,2]=4 2638 B9R0.46 CCCCNN=C(C)CF 4a_100025702795_100000039719 [0,1,0,0,0,0|3,0,0]=4 2639 B9R0.46 CCCCNN=C(C)CO 4a_100025702795_100000211253 [0,1,0,0,0,0|2,0,0]=3 2640 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [0,1,0,0,0,0|3,0,0]=4 2641 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [0,1,0,0,0,0|2,0,0]=3 2642 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,1,0,0,0,0|2,0,1]=4 2643 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,1,0,0,0,0|2,0,1]=4 2644 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,1,0,0,0,0|2,0,1]=4 2645 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,1,0,0,0,0|2,0,1]=4 2646 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,1,0,0,0,0|2,0,1]=4 2647 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,1,0,0,0,0|1,0,1]=3 2648 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [0,1,0,0,0,0|1,0,2]=4 2649 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [0,1,0,0,0,0|1,0,2]=4 2650 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [0,1,0,0,0,0|1,0,2]=4 2651 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [0,1,0,0,0,0|1,0,2]=4 2652 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [0,1,0,0,0,0|1,0,2]=4 2653 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [0,1,0,0,0,0|1,0,2]=4 2654 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,1,0,0,0,0|2,0,1]=4 2655 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,1,0,0,0,0|2,0,1]=4 2656 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,1,0,0,0,0|2,0,1]=4 2657 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,1,0,0,0,0|2,0,1]=4 2658 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [0,1,0,0,0,0|1,0,2]=4 2659 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [0,1,0,0,0,0|1,0,2]=4 2660 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [0,1,0,0,0,0|1,0,2]=4 2661 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [0,1,0,0,0,0|1,0,2]=4 2662 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [0,1,0,0,0,0|1,0,2]=4 2663 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [0,1,0,0,0,0|1,0,2]=4 2664 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [0,1,0,0,0,0|2,0,1]=4 2665 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [0,1,0,0,0,0|1,0,2]=4 2666 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [0,1,0,0,0,0|1,0,2]=4 2667 B9R0.46 CCCNN=CC(O)CO 4a_100000740057_100000033539 [0,1,0,0,0,0|2,0,1]=4 2668 B9R0.46 CCCOCCC(=NO)N 34a_100000749954_100000210303 [0,1,0,0,0,0|2,0,1]=4 2669 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,1,0,0,0,0|2,0,1]=4 2670 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,1,0,0,0,0|1,0,1]=3 2671 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [0,1,0,0,0,0|2,0,1]=4 2672 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [0,1,0,0,0,0|1,0,2]=4 2673 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [0,1,0,0,0,0|1,0,2]=4 2674 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [0,1,0,0,0,0|1,0,2]=4 2675 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [0,1,0,0,0,0|1,0,2]=4 2676 B9R0.46 CCN(C)CCOCCO 2230a_100000225621_100011215305 [0,1,0,0,0,0|2,0,1]=4 2677 B9R0.46 CCN(C)CCOCCO 2230a_100000228057_100000210202 [0,1,0,0,0,0|2,0,1]=4 2678 B9R0.46 CCN(C)CCOCCO 269982a_100000225621_100011215305 [0,1,0,0,0,0|2,0,1]=4 2679 B9R0.46 CCN(C)CCOCCO 269982a_100000228057_100000204670 [0,1,0,0,0,0|2,0,1]=4 2680 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [0,1,0,0,0,0|3,0,0]=4 2681 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,1,0,0,0,0|2,0,1]=4 2682 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,1,0,0,0,0|1,0,1]=3 2683 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [0,1,0,0,0,0|2,0,1]=4 2684 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [0,1,0,0,0,0|3,0,0]=4 2685 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [0,1,0,0,0,0|3,0,0]=4 2686 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [0,1,0,0,0,0|3,0,0]=4 2687 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [0,1,0,0,0,0|3,0,0]=4 2688 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [0,1,0,0,0,0|3,0,0]=4 2689 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [0,1,0,0,0,0|3,0,0]=4 2690 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,1,0,0,0,0|2,0,0]=3 2691 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,1,0,0,0,0|2,0,0]=3 2692 B9R0.46 CCOCCNC(C)CO 2230a_102516460346_100012180447 [0,1,0,0,0,0|2,0,1]=4 2693 B9R0.46 CCOCCNC(C)CO 34a_102516460346_100012180447 [0,1,0,0,0,0|2,0,1]=4 2694 B9R0.46 CCOCCN[C@H](C)CO 2230a_100000737577_100011215890 [0,1,0,0,0,0|2,0,1]=4 2695 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [0,1,0,0,0,0|3,0,0]=4 2696 B9R0.46 CCOCCOC(C)CO 34a_100000210136_100012180447 [0,1,0,0,0,0|2,0,1]=4 2697 B9R0.46 CCOCCOC(C)CO 7a_100000210136_100012180447 [0,1,0,0,0,0|2,0,1]=4 2698 B9R0.46 CCOCCSC(C)CO 62a_100012180447_100011215890 [0,1,0,0,0,0|2,0,1]=4 2699 B9R0.46 CCOCCS[C@H](C)CO 62a_100000210147_100016084084 [0,1,0,0,0,0|2,0,1]=4 2700 B9R0.46 CCOCCS[C@H](C)CO 62a_100016084084_100011215890 [0,1,0,0,0,0|2,0,1]=4 2701 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [0,1,0,0,0,0|3,0,0]=4 2702 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [0,1,0,0,0,0|3,0,0]=4 2703 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [0,1,0,0,0,0|3,0,0]=4 2704 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [0,1,0,0,0,0|3,0,0]=4 2705 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,1,0,0,0,0|2,0,0]=3 2706 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,1,0,0,0,0|2,0,0]=3 2707 B9R0.46 CCSCCNC(C)CO 2230a_100000106463_100012180447 [0,1,0,0,0,0|2,0,1]=4 2708 B9R0.46 CCSCCN[C@H](C)CO 2230a_100000737577_100000757381 [0,1,0,0,0,0|2,0,1]=4 2709 B9R0.46 CCSCCOC(C)CO 34a_100000212035_100012180447 [0,1,0,0,0,0|2,0,1]=4 2710 B9R0.46 CCSCCOC(C)CO 7a_100000212035_100012180447 [0,1,0,0,0,0|2,0,1]=4 2711 B9R0.46 CCSCCSC(C)CO 62a_100012180447_100000757381 [0,1,0,0,0,0|2,0,1]=4 2712 B9R0.46 CCSCCS[C@H](C)CO 62a_100000757381_100016084084 [0,1,0,0,0,0|2,0,1]=4 2713 B9R0.46 CCSCCS[C@H](C)CO 62a_100016084084_100000757381 [0,1,0,0,0,0|2,0,1]=4 2714 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [0,1,0,0,0,0|1,0,2]=4 2715 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [0,1,0,0,0,0|1,0,2]=4 2716 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [0,1,0,0,0,0|1,0,2]=4 2717 B9R0.46 CNCCCOC(C)CO 34a_100000213112_100012180447 [0,1,0,0,0,0|2,0,1]=4 2718 B9R0.46 COC(C)CCOCCO 7a_100000764861_100000211926 [0,1,0,0,0,0|2,0,1]=4 2719 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,1,0,0,0,0|1,0,1]=3 2720 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,1,0,0,0,0|2,0,0]=3 2721 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,1,0,0,0,0|2,0,0]=3 2722 B9R0.46 COCCCNC(C)CO 34a_100150723488_100012180447 [0,1,0,0,0,0|2,0,1]=4 2723 B9R0.46 COCCCN[C@H](C)CO 2230a_100000737577_100000740836 [0,1,0,0,0,0|2,0,1]=4 2724 B9R0.46 COCCCOC(C)CO 34a_100000740835_100012180447 [0,1,0,0,0,0|2,0,1]=4 2725 B9R0.46 COCCCSC(C)CO 62a_100012180447_100000709357 [0,1,0,0,0,0|2,0,1]=4 2726 B9R0.46 COCCCS[C@H](C)CO 62a_100000709357_100016084084 [0,1,0,0,0,0|2,0,1]=4 2727 B9R0.46 COCCCS[C@H](C)CO 62a_100016084084_100000709357 [0,1,0,0,0,0|2,0,1]=4 2728 B9R0.46 COCCNNC(=O)CO 22a_100000741390_100000210174 [0,1,0,0,0,0|3,0,0]=4 2729 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,1,0,0,0,0|2,0,0]=3 2730 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,1,0,0,0,0|2,0,0]=3 2731 B9R0.46 CSCCCNC(C)CO 2230a_100000749238_100012180447 [0,1,0,0,0,0|2,0,1]=4 2732 B9R0.46 CSCCCOC(C)CO 34a_100000690336_100012180447 [0,1,0,0,0,0|2,0,1]=4 2733 B9R0.46 CSCCCOC(C)CO 7a_100000690336_100012180447 [0,1,0,0,0,0|2,0,1]=4 2734 B9R0.46 C[C@H](CO)NCCCCF 2230a_100000737577_100000729493 [0,1,0,0,0,0|2,0,1]=4 2735 B9R0.46 C[C@H](CO)NCCCCO 2230a_100000737577_100000210776 [0,1,0,0,0,0|2,0,1]=4 2736 B9R0.46 C[C@H](CO)SCCCCF 62a_100000729493_100016084084 [0,1,0,0,0,0|2,0,1]=4 2737 B9R0.46 C[C@H](CO)SCCCCF 62a_100016084084_100000729493 [0,1,0,0,0,0|2,0,1]=4 2738 B9R0.46 C[C@H](CO)SCCCCO 62a_100000210776_100016084084 [0,1,0,0,0,0|2,0,1]=4 2739 B9R0.46 C[C@H](CO)SCCCCO 62a_100016084084_100000210776 [0,1,0,0,0,0|2,0,1]=4 2740 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [0,1,0,0,0,0|1,0,2]=4 2741 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,1,0,0,0,0|2,0,1]=4 2742 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,1,0,0,0,0|1,0,1]=3 2743 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,1,0,0,0,0|1,0,1]=3 2744 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [0,1,0,0,0,0|2,0,1]=4 2745 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,1,0,0,0,0|2,0,0]=3 2746 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,1,0,0,0,0|2,0,0]=3 2747 B9R1.8 CCCN1CC=CCC1 2230a_100000698166_100000210303 [0,0,0,1,0,0|2,0,0]=3 2748 B9R1.8 CCCN1CC=CCC1 269982a_100000698166_100000210303 [0,0,0,1,0,0|2,0,0]=3 2749 B9R1.8 CCCN1CC=CCC1 34a_100000698166_100000210303 [0,0,0,1,0,0|2,0,0]=3 2750 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [0,0,0,1,0,0|2,0,1]=4 2751 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [0,0,0,1,0,0|2,0,1]=4 2752 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [0,0,0,1,0,0|2,0,1]=4 2753 B9R1.8 CCOC1CC=CCC1 34a_100000073881_100000210202 [0,0,0,1,0,0|2,0,0]=3 2754 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [0,0,0,1,0,0|2,0,1]=4 2755 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [0,0,0,1,0,0|2,0,1]=4 2756 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [0,0,0,1,0,0|2,0,1]=4 2757 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [0,0,0,1,0,0|1,0,2]=4 2758 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [0,0,0,1,0,0|2,0,1]=4 2759 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [0,0,0,1,0,0|2,0,1]=4 2760 B9R1.8 CNCC1CC=CCC1 270004a_106832991635_100000189434 [0,0,0,1,0,0|2,0,0]=3 2761 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [0,0,0,1,0,0|1,0,2]=4 2762 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [0,0,0,1,0,0|1,0,2]=4 2763 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [0,0,0,1,0,0|1,0,2]=4 2764 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [0,0,0,1,0,0|1,0,2]=4 2765 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [0,0,0,1,0,0|1,0,2]=4 2766 B9R1.8 CNC[C@H]1COCCO1 2230a_100010981119_200000210301 [0,0,0,1,0,0|2,0,1]=4 2767 B9R1.8 CNC[C@H]1COCCO1 34a_100010981119_200000210301 [0,0,0,1,0,0|2,0,1]=4 2768 B9R1.8 COCC1CC=CCC1 34a_100000210713_200000210301 [0,0,0,1,0,0|2,0,0]=3 2769 B9R1.8 COCC1CCC=CO1 34a_100011217868_200000210301 [0,0,0,1,0,0|1,0,2]=4 2770 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [0,0,0,1,0,0|1,0,2]=4 2771 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [0,0,0,1,0,0|1,0,2]=4 2772 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [0,0,0,1,0,0|1,0,2]=4 2773 B9R1.8 COCN1CC=CCC1 2230a_100000698166_100000766300 [0,0,0,1,0,0|3,0,0]=4 2774 B9R1.8 COCN1CC=CCC1 269982a_100000698166_100000766300 [0,0,0,1,0,0|3,0,0]=4 2775 B9R1.8 COC[C@@H]1CNCCO1 34a_100015189573_200000210301 [0,0,0,1,0,0|2,0,1]=4 2776 B9R1.8 COC[C@H]1COCCO1 34a_100009875890_200000210301 [0,0,0,1,0,0|2,0,1]=4 2777 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [0,0,0,1,0,0|1,0,2]=4 2778 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [0,0,0,1,0,0|1,0,2]=4 2779 B9R1.8 CSCN1CC=CCC1 2230a_100000698166_100011218213 [0,0,0,1,0,0|3,0,0]=4 2780 B9R1.8 CSCN1CC=CCC1 269982a_100000698166_100011218213 [0,0,0,1,0,0|3,0,0]=4 2781 B9R1.8 CSCN1CC=CCC1 34a_100000698166_100011218213 [0,0,0,1,0,0|3,0,0]=4 2782 B9R1.8 FCCN1CC=CCC1 2230a_100000698166_100011217306 [0,0,0,1,0,0|3,0,0]=4 2783 B9R1.8 FCCN1CC=CCC1 269982a_100000698166_100011217306 [0,0,0,1,0,0|3,0,0]=4 2784 B9R1.8 FCCN1CC=CCC1 34a_100000698166_100011217306 [0,0,0,1,0,0|3,0,0]=4 2785 B9R1.8 FCNC1CCCCC1 34a_100000182618_100015361967 [0,0,0,1,0,0|2,0,1]=4 2786 B9R1.8 FCOC1CC=CCC1 34a_100000073881_100015361967 [0,0,0,1,0,0|3,0,0]=4 2787 B9R1.8 FCOC1CCCCC1 34a_100000210231_100015361967 [0,0,0,1,0,0|2,0,1]=4 2788 B9R1.8 FCOC1CCCCC1 7a_100000210231_100015361967 [0,0,0,1,0,0|2,0,1]=4 2789 B9R1.8 FCSC1CCCCC1 62a_100000210327_100015361967 [0,0,0,1,0,0|2,0,1]=4 2790 B9R1.8 FCSC1CCCCC1 62a_100015361967_100000210327 [0,0,0,1,0,0|2,0,1]=4 2791 B9R1.8 OCCN1CC=CCC1 2230a_100000698166_100000211926 [0,0,0,1,0,0|3,0,0]=4 2792 B9R1.8 OCCN1CC=CCC1 269982a_100000698166_100000211926 [0,0,0,1,0,0|3,0,0]=4 2793 B9R1.8 OCCN1CC=CCC1 34a_100000698166_100000211926 [0,0,0,1,0,0|3,0,0]=4 2794 B9R1.8 OCCN1CCCOC1 2230a_100000131196_100000211926 [0,0,0,1,0,0|2,0,1]=4 2795 B9R1.8 OCCN1CCCOC1 269982a_100000131196_100000211926 [0,0,0,1,0,0|2,0,1]=4 2796 B9R1.8 OCCN1CCCOC1 34a_100000131196_100000211926 [0,0,0,1,0,0|2,0,1]=4 2797 B9R1.8 OCCN1CCOCC1 2230a_100015191051_100000211926 [0,0,0,1,0,0|2,0,1]=4 2798 B9R1.8 OCCN1CCOCC1 269982a_100015191051_100000211926 [0,0,0,1,0,0|2,0,1]=4 2799 B9R1.8 OCCN1CCOCC1 34a_100015191051_100000211926 [0,0,0,1,0,0|2,0,1]=4 2800 B9R1.8 OCCN1CCSCC1 2230a_100000737611_100000211926 [0,0,0,1,0,0|2,0,1]=4 2801 B9R1.8 OCCN1CCSCC1 269982a_100000737611_100000211926 [0,0,0,1,0,0|2,0,1]=4 2802 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [0,0,0,1,0,0|1,0,2]=4 2803 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [0,0,0,1,0,0|1,0,2]=4 2804 B9R1.8 [13CH3]NC[C@H]1COCCO1 2230a_100010981119_200025704644 [0,0,0,1,0,0|2,0,1]=4 2805 B9R1.8 [13CH3]NC[C@H]1COCCO1 34a_100010981119_200025704644 [0,0,0,1,0,0|2,0,1]=4 2806 B9R1.8 [13CH3]OCC1CC=CCC1 34a_100000210713_200025704644 [0,0,0,1,0,0|2,0,0]=3 2807 B9R1.8 [13CH3]OCC1CCC=CO1 34a_100011217868_200025704644 [0,0,0,1,0,0|1,0,2]=4 2808 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [0,0,0,1,0,0|1,0,2]=4 2809 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [0,0,0,1,0,0|1,0,2]=4 2810 B9R1.8 [13CH3]OC[C@@H]1CNCCO1 34a_100015189573_200025704644 [0,0,0,1,0,0|2,0,1]=4 2811 B9R1.8 [13CH3]OC[C@H]1COCCO1 34a_100009875890_200025704644 [0,0,0,1,0,0|2,0,1]=4 2812 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [0,0,0,1,0,0|1,0,2]=4 2813 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [0,0,0,1,0,0|1,0,2]=4 2814 B9R1.12 BrCCOC1CCCC1 34a_100000211926_100000179811 [0,0,0,1,0,0|2,0,1]=4 2815 B9R1.12 CCCCc1cc[nH]n1 271570a_100020621405_100000062575 [0,0,0,1,0,0|2,0,1]=4 2816 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [0,0,0,1,0,0|0,0,2]=3 2817 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [0,0,0,1,0,0|0,1,2]=4 2818 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [0,0,0,1,0,0|2,0,1]=4 2819 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [0,0,0,1,0,0|2,0,1]=4 2820 B9R1.12 CCCCc1ccsn1 271570a_100020621405_100009818082 [0,0,0,1,0,0|2,0,1]=4 2821 B9R1.12 CCCCc1cnco1 271570a_100020621405_100020591547 [0,0,0,1,0,0|1,0,2]=4 2822 B9R1.12 CCCCc1ncco1 271570a_100020621405_100011787736 [0,0,0,1,0,0|1,0,2]=4 2823 B9R1.12 CCCNC1CCCC1 2230a_100000211070_100000210303 [0,0,0,1,0,0|2,0,1]=4 2824 B9R1.12 CCCNC1CCCC1 270004a_100020643023_100000210133 [0,0,0,1,0,0|2,0,1]=4 2825 B9R1.12 CCCNC1CCCC1 34a_100000211070_100000210303 [0,0,0,1,0,0|2,0,1]=4 2826 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [0,0,0,1,0,0|2,0,1]=4 2827 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [0,0,0,1,0,0|2,0,1]=4 2828 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [0,0,0,1,0,0|2,0,1]=4 2829 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [0,0,0,1,0,0|1,0,2]=4 2830 B9R1.12 CCCSC1CCCC1 62a_100000210303_100000179811 [0,0,0,1,0,0|2,0,1]=4 2831 B9R1.12 CCCSC1CCCC1 62a_100011217020_100000210303 [0,0,0,1,0,0|2,0,1]=4 2832 B9R1.12 CCCSc1ccco1 62a_100000210303_100009814098 [0,0,0,1,0,0|1,0,2]=4 2833 B9R1.12 CCCSc1ccco1 62a_100009814098_100000210303 [0,0,0,1,0,0|1,0,2]=4 2834 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [0,0,0,1,0,0|2,0,1]=4 2835 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [0,0,0,1,0,0|2,0,1]=4 2836 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [0,0,0,1,0,0|2,0,1]=4 2837 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [0,0,0,1,0,0|2,0,1]=4 2838 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [0,0,0,1,0,0|1,0,2]=4 2839 B9R1.12 CCNCC1OCCO1 2230a_100000036311_100000210202 [0,0,0,1,0,0|2,0,1]=4 2840 B9R1.12 CCNCC1OCCO1 2230a_100015525214_100000755774 [0,0,0,1,0,0|2,0,1]=4 2841 B9R1.12 CCNCC1OCCO1 34a_100000036311_100000210202 [0,0,0,1,0,0|2,0,1]=4 2842 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [0,0,0,1,0,0|1,0,2]=4 2843 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [0,0,0,1,0,0|1,0,2]=4 2844 B9R1.12 CCNCc1ccco1 207a_100015525214_100000186105 [0,0,0,1,0,0|1,0,2]=4 2845 B9R1.12 CCNCc1ccco1 2230a_100000185738_100000210202 [0,0,0,1,0,0|1,0,2]=4 2846 B9R1.12 CCNCc1ccco1 270004a_100015525214_100000186105 [0,0,0,1,0,0|1,0,2]=4 2847 B9R1.12 CCNCc1ccco1 34a_100000185738_100000210202 [0,0,0,1,0,0|1,0,2]=4 2848 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [0,0,0,1,0,0|2,0,1]=4 2849 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [0,0,0,1,0,0|2,0,1]=4 2850 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [0,0,0,1,0,0|2,0,1]=4 2851 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [0,0,0,1,0,0|1,0,2]=4 2852 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [0,0,0,1,0,0|1,0,2]=4 2853 B9R1.12 CCOCC1COCO1 34a_100011216627_100000210202 [0,0,0,1,0,0|2,0,1]=4 2854 B9R1.12 CCOCC1OCCO1 34a_100000087154_100000210202 [0,0,0,1,0,0|2,0,1]=4 2855 B9R1.12 CCOCC1OCCO1 34a_100121572206_100000755774 [0,0,0,1,0,0|2,0,1]=4 2856 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [0,0,0,1,0,0|1,0,2]=4 2857 B9R1.12 CCOCc1ccno1 34a_100000740478_100000210202 [0,0,0,1,0,0|2,0,1]=4 2858 B9R1.12 CCSCC1CCCC1 62a_100000210202_100000740388 [0,0,0,1,0,0|2,0,1]=4 2859 B9R1.12 CCSCC1CCCC1 62a_100000740388_100000210202 [0,0,0,1,0,0|2,0,1]=4 2860 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [0,0,0,1,0,0|1,0,2]=4 2861 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [0,0,0,1,0,0|1,0,2]=4 2862 B9R1.12 CCSCC1OCCO1 62a_100000210202_100000755774 [0,0,0,1,0,0|2,0,1]=4 2863 B9R1.12 CCSCC1OCCO1 62a_100000755774_100000210202 [0,0,0,1,0,0|2,0,1]=4 2864 B9R1.12 CNCCC1OCCO1 2230a_100000034215_200000210301 [0,0,0,1,0,0|2,0,1]=4 2865 B9R1.12 CNCCC1OCCO1 2230a_106832991635_100000740749 [0,0,0,1,0,0|2,0,1]=4 2866 B9R1.12 CNCCC1OCCO1 34a_100000034215_200000210301 [0,0,0,1,0,0|2,0,1]=4 2867 B9R1.12 CNCCC1OCCO1 34a_100102657272_100000740749 [0,0,0,1,0,0|2,0,1]=4 2868 B9R1.12 CNCCC1OCCO1 7a_106832991635_100000740749 [0,0,0,1,0,0|2,0,1]=4 2869 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [0,0,0,1,0,0|1,0,2]=4 2870 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [0,0,0,1,0,0|1,0,2]=4 2871 B9R1.12 COCCC1OCCO1 34a_100138415774_100000740749 [0,0,0,1,0,0|2,0,1]=4 2872 B9R1.12 CSCCC1OCCO1 62a_200000210301_100000740749 [0,0,0,1,0,0|2,0,1]=4 2873 B9R1.12 FCCNC1CCCC1 2230a_100000211070_100011217306 [0,0,0,1,0,0|2,0,1]=4 2874 B9R1.12 FCCNC1CCCC1 34a_100000211070_100011217306 [0,0,0,1,0,0|2,0,1]=4 2875 B9R1.12 FCCNC1CCCC1 34a_100000724931_100000179811 [0,0,0,1,0,0|2,0,1]=4 2876 B9R1.12 FCCOC1CCCC1 34a_100000210269_100011217306 [0,0,0,1,0,0|2,0,1]=4 2877 B9R1.12 FCCOC1CCCC1 7a_100000210269_100011217306 [0,0,0,1,0,0|2,0,1]=4 2878 B9R1.12 FCCSC1CCCC1 62a_100011217020_100011217306 [0,0,0,1,0,0|2,0,1]=4 2879 B9R1.12 FCCSC1CCCC1 62a_100011217306_100000179811 [0,0,0,1,0,0|2,0,1]=4 2880 B9R1.12 FCNCC1CCCC1 34a_100000737975_100015361967 [0,0,0,1,0,0|2,0,1]=4 2881 B9R1.12 FCOCC1CCCC1 34a_100000742336_100015361967 [0,0,0,1,0,0|2,0,1]=4 2882 B9R1.12 FCOCC1CCCC1 7a_100000742336_100015361967 [0,0,0,1,0,0|2,0,1]=4 2883 B9R1.12 FCSCC1CCCC1 62a_100000740388_100015361967 [0,0,0,1,0,0|2,0,1]=4 2884 B9R1.12 FCSCC1CCCC1 62a_100015361967_100000740388 [0,0,0,1,0,0|2,0,1]=4 2885 B9R1.12 NCCOC1CCCC1 34a_100000210304_100000179811 [0,0,0,1,0,0|2,0,1]=4 2886 B9R1.12 OCCCN1CCCC1 2230a_100000188435_100000230001 [0,0,0,1,0,0|1,0,2]=4 2887 B9R1.12 OCCCN1CCCC1 269982a_100000188435_100011215043 [0,0,0,1,0,0|1,0,2]=4 2888 B9R1.12 OCCNC1CCCC1 2230a_100000211070_100000211926 [0,0,0,1,0,0|1,0,1]=3 2889 B9R1.12 OCCNC1CCCC1 2230a_100016997473_100000179811 [0,0,0,1,0,0|1,0,1]=3 2890 B9R1.12 OCCNC1CCCC1 270004a_100000210304_100000210133 [0,0,0,1,0,0|1,0,1]=3 2891 B9R1.12 OCCNC1CCCC1 34a_100000211070_100000211926 [0,0,0,1,0,0|1,0,1]=3 2892 B9R1.12 OCCNC1CCCC1 34a_100016990907_100000179811 [0,0,0,1,0,0|1,0,1]=3 2893 B9R1.12 OCCNC1CCOC1 2230a_100016997473_100000731011 [0,0,0,1,0,0|2,0,1]=4 2894 B9R1.12 OCCNC1CCOC1 270004a_100000210304_100000752484 [0,0,0,1,0,0|2,0,1]=4 2895 B9R1.12 OCCNC1CCOC1 34a_100016990907_100000690089 [0,0,0,1,0,0|2,0,1]=4 2896 B9R1.12 OCCNC1CCSC1 270004a_100000210304_100000212027 [0,0,0,1,0,0|2,0,1]=4 2897 B9R1.12 OCCN[C@@H]1CCOC1 2230a_200015188469_100000211926 [0,0,0,1,0,0|2,0,1]=4 2898 B9R1.12 OCCN[C@H]1CCOC1 2230a_100015188467_100000211926 [0,0,0,1,0,0|2,0,1]=4 2899 B9R1.12 OCCN[C@H]1CCOC1 34a_100015188467_100000211926 [0,0,0,1,0,0|2,0,1]=4 2900 B9R1.12 OCCOC1CCCC1 34a_100000210269_100000211926 [0,0,0,1,0,0|1,0,1]=3 2901 B9R1.12 OCCOC1CCCC1 7a_100000210269_100000211926 [0,0,0,1,0,0|1,0,1]=3 2902 B9R1.12 OCCOC1CCCO1 34a_100000085407_100000211926 [0,0,0,1,0,0|2,0,1]=4 2903 B9R1.12 OCCOC1CCSC1 7a_100011232664_100000211926 [0,0,0,1,0,0|2,0,1]=4 2904 B9R1.12 OCCO[C@H]1CCOC1 34a_100000717292_100000211926 [0,0,0,1,0,0|2,0,1]=4 2905 B9R1.12 OCCSC1CCCC1 62a_100000211926_100000179811 [0,0,0,1,0,0|1,0,1]=3 2906 B9R1.12 OCCSC1CCCC1 62a_100011217020_100000211926 [0,0,0,1,0,0|1,0,1]=3 2907 B9R1.12 OCCSC1CCOC1 62a_100000211926_100000690089 [0,0,0,1,0,0|2,0,1]=4 2908 B9R1.12 [13CH3]NCCC1OCCO1 2230a_100000034215_200025704644 [0,0,0,1,0,0|2,0,1]=4 2909 B9R1.12 [13CH3]NCCC1OCCO1 34a_100000034215_200025704644 [0,0,0,1,0,0|2,0,1]=4 2910 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [0,0,0,1,0,0|1,0,2]=4 2911 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [0,0,0,1,0,0|1,0,2]=4 2912 B9R1.12 [13CH3]SCCC1OCCO1 62a_200025704644_100000740749 [0,0,0,1,0,0|2,0,1]=4 2913 B9R1.14 CCC1CCCN1CC 2230a_100000754278_100000210202 [0,0,0,1,0,0|2,0,1]=4 2914 B9R1.14 CCC1CCCN1CC 269982a_100000754278_100000204670 [0,0,0,1,0,0|2,0,1]=4 2915 B9R1.14 CCC1CCCN1CC 34a_100000754278_100000210202 [0,0,0,1,0,0|2,0,1]=4 2916 B9R1.14 CCC1CCCN1CF 269982a_100000754278_100015361967 [0,0,0,1,0,0|2,0,1]=4 2917 B9R1.14 CCC1CCCN1CF 34a_100000754278_100015361967 [0,0,0,1,0,0|2,0,1]=4 2918 B9R1.14 CCN1CCC[C@@H]1CO 2230a_100000745186_100000210202 [0,0,0,1,0,0|1,0,2]=4 2919 B9R1.14 CCN1CCC[C@@H]1CO 269982a_100000745186_100000204670 [0,0,0,1,0,0|1,0,2]=4 2920 B9R1.14 CCN1CCC[C@@H]1CO 34a_100000745186_100000210202 [0,0,0,1,0,0|1,0,2]=4 2921 B9R1.15 CC1CCCCN1CF 269982a_100000211376_100015361967 [0,0,0,1,0,0|2,0,1]=4 2922 B9R1.15 CC1CCCCN1CF 34a_100000211376_100015361967 [0,0,0,1,0,0|2,0,1]=4 2923 B9R1.15 CCN1CCCCC1C 2230a_100000211376_100000210202 [0,0,0,1,0,0|2,0,1]=4 2924 B9R1.15 CCN1CCCCC1C 269982a_100000211376_100000204670 [0,0,0,1,0,0|2,0,1]=4 2925 B9R1.15 CCN1CCCCC1C 34a_100000211376_100000210202 [0,0,0,1,0,0|2,0,1]=4 2926 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [0,0,0,1,0,0|1,0,2]=4 2927 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [0,0,0,1,0,0|1,0,2]=4 2928 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [0,0,0,1,0,0|1,0,2]=4 2929 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [0,0,0,1,0,0|1,0,2]=4 2930 B9R1.15 CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200000210301 [0,0,0,1,0,0|2,0,1]=4 2931 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [0,0,0,1,0,0|1,0,2]=4 2932 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [0,0,0,1,0,0|1,0,2]=4 2933 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [0,0,0,1,0,0|1,0,2]=4 2934 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [0,0,0,1,0,0|1,0,2]=4 2935 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [0,0,0,1,0,0|1,0,2]=4 2936 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [0,0,0,1,0,0|1,0,2]=4 2937 B9R1.15 [13CH3]N[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200025704644 [0,0,0,1,0,0|2,0,1]=4 2938 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [0,0,0,1,0,0|1,0,2]=4 2939 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [0,0,0,1,0,0|1,0,2]=4 2940 B9R1.16 CC1CC1COCCF 34a_100000744939_100011217306 [0,0,0,1,0,0|2,0,1]=4 2941 B9R1.16 CC1CC1COCCF 7a_100000744939_100011217306 [0,0,0,1,0,0|2,0,1]=4 2942 B9R1.16 CC1CC1COCCO 34a_100000744939_100000211926 [0,0,0,1,0,0|1,0,1]=3 2943 B9R1.16 CC1CC1COCCO 7a_100000744939_100000211926 [0,0,0,1,0,0|1,0,1]=3 2944 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [0,0,0,1,0,0|2,0,1]=4 2945 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [0,0,0,1,0,0|2,0,1]=4 2946 B9R1.17 BrCCOCC1CCC1 34a_100000211926_100000763275 [0,0,0,1,0,0|2,0,1]=4 2947 B9R1.17 CC/C=C\CN1CCC1 269982a_100000754969_100103147603 [0,0,0,1,0,0|2,0,0]=3 2948 B9R1.17 CCC=NNC1CCC1 4a_100000736358_100000210100 [0,0,0,1,0,0|3,0,0]=4 2949 B9R1.17 CCCCCN1CCC1 269982a_100000754969_100000210215 [0,0,0,1,0,0|2,0,1]=4 2950 B9R1.17 CCCNCC1CCC1 2230a_100000738700_100000210303 [0,0,0,1,0,0|2,0,1]=4 2951 B9R1.17 CCCNCC1CCC1 269862a_100020643023_100000753134 [0,0,0,1,0,0|2,0,1]=4 2952 B9R1.17 CCCNCC1CCC1 34a_100000738700_100000210303 [0,0,0,1,0,0|2,0,1]=4 2953 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [0,0,0,1,0,0|1,0,2]=4 2954 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [0,0,0,1,0,0|1,0,2]=4 2955 B9R1.17 CCCOCC1CCC1 34a_100000210258_100000763275 [0,0,0,1,0,0|2,0,1]=4 2956 B9R1.17 CCCOCC1CCC1 34a_100000760304_100000210303 [0,0,0,1,0,0|2,0,1]=4 2957 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [0,0,0,1,0,0|1,0,2]=4 2958 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [0,0,0,1,0,0|1,0,2]=4 2959 B9R1.17 CCCSCC1CCC1 62a_100000210303_100000763275 [0,0,0,1,0,0|2,0,1]=4 2960 B9R1.17 CCCSCC1CCC1 62a_100000763275_100000210303 [0,0,0,1,0,0|2,0,1]=4 2961 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [0,0,0,1,0,0|1,0,2]=4 2962 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [0,0,0,1,0,0|1,0,2]=4 2963 B9R1.17 FCCNCC1CCC1 2230a_100000738700_100011217306 [0,0,0,1,0,0|2,0,1]=4 2964 B9R1.17 FCCNCC1CCC1 269862a_100000724931_100000753134 [0,0,0,1,0,0|2,0,1]=4 2965 B9R1.17 FCCNCC1CCC1 34a_100000724931_100000763275 [0,0,0,1,0,0|2,0,1]=4 2966 B9R1.17 FCCNCC1CCC1 34a_100000738700_100011217306 [0,0,0,1,0,0|2,0,1]=4 2967 B9R1.17 FCCOCC1CCC1 34a_100000760304_100011217306 [0,0,0,1,0,0|2,0,1]=4 2968 B9R1.17 FCCSCC1CCC1 62a_100000763275_100011217306 [0,0,0,1,0,0|2,0,1]=4 2969 B9R1.17 FCCSCC1CCC1 62a_100011217306_100000763275 [0,0,0,1,0,0|2,0,1]=4 2970 B9R1.17 NCCOCC1CCC1 34a_100000210304_100000763275 [0,0,0,1,0,0|2,0,1]=4 2971 B9R1.17 OCCCCN1CCC1 269982a_100000754969_100000210776 [0,0,0,1,0,0|1,0,2]=4 2972 B9R1.17 OCCCNC1CCC1 2230a_100000749019_100000230001 [0,0,0,1,0,0|1,0,2]=4 2973 B9R1.17 OCCCNC1CCC1 270004a_100000182051_100000241760 [0,0,0,1,0,0|1,0,2]=4 2974 B9R1.17 OCCCNC1CCC1 34a_100000749019_100000230001 [0,0,0,1,0,0|1,0,2]=4 2975 B9R1.17 OCCCOC1CCC1 34a_100000748187_100000230001 [0,0,0,1,0,0|1,0,2]=4 2976 B9R1.17 OCCCSC1CCC1 62a_100011215043_100000749161 [0,0,0,1,0,0|1,0,2]=4 2977 B9R1.17 OCCNCC1CCC1 2230a_100000738700_100000211926 [0,0,0,1,0,0|1,0,1]=3 2978 B9R1.17 OCCNCC1CCC1 2230a_100016997473_100000763275 [0,0,0,1,0,0|1,0,1]=3 2979 B9R1.17 OCCNCC1CCC1 269862a_100000210304_100000753134 [0,0,0,1,0,0|1,0,1]=3 2980 B9R1.17 OCCNCC1CCC1 34a_100000738700_100000211926 [0,0,0,1,0,0|1,0,1]=3 2981 B9R1.17 OCCNCC1CCC1 34a_100016990907_100000763275 [0,0,0,1,0,0|1,0,1]=3 2982 B9R1.17 OCCNCC1CCO1 2230a_100016997473_100000103362 [0,0,0,1,0,0|2,0,1]=4 2983 B9R1.17 OCCNCC1CCO1 34a_100016990907_100000103362 [0,0,0,1,0,0|2,0,1]=4 2984 B9R1.17 OCCNCC1COC1 2230a_100015281925_100000211926 [0,0,0,1,0,0|2,0,1]=4 2985 B9R1.17 OCCNCC1COC1 2230a_100016997473_100010264016 [0,0,0,1,0,0|2,0,1]=4 2986 B9R1.17 OCCNCC1COC1 34a_100015281925_100000211926 [0,0,0,1,0,0|2,0,1]=4 2987 B9R1.17 OCCNCC1COC1 34a_100016990907_100010264016 [0,0,0,1,0,0|2,0,1]=4 2988 B9R1.17 OCCNC[C@@H]1CCO1 2230a_100020831831_100000211926 [0,0,0,1,0,0|2,0,1]=4 2989 B9R1.17 OCCNC[C@@H]1CCO1 34a_100020831831_100000211926 [0,0,0,1,0,0|2,0,1]=4 2990 B9R1.17 OCCOCC1CCC1 34a_100000760304_100000211926 [0,0,0,1,0,0|1,0,1]=3 2991 B9R1.17 OCCOCC1CCO1 34a_100000039022_100000211926 [0,0,0,1,0,0|2,0,1]=4 2992 B9R1.17 OCCOCC1CNC1 34a_100016987283_100000211926 [0,0,0,1,0,0|2,0,1]=4 2993 B9R1.17 OCCOCC1COC1 34a_100000060846_100000211926 [0,0,0,1,0,0|2,0,1]=4 2994 B9R1.17 OCCSCC1CCC1 62a_100000211926_100000763275 [0,0,0,1,0,0|1,0,1]=3 2995 B9R1.17 OCCSCC1CCC1 62a_100000763275_100000211926 [0,0,0,1,0,0|1,0,1]=3 2996 B9R1.17 OCCSCC1CCO1 62a_100000103362_100000211926 [0,0,0,1,0,0|2,0,1]=4 2997 B9R1.17 OCCSCC1CCO1 62a_100000211926_100000103362 [0,0,0,1,0,0|2,0,1]=4 2998 B9R1.17 OCCSCC1COC1 62a_100000211926_100010264016 [0,0,0,1,0,0|2,0,1]=4 2999 B9R1.17 OCCSCC1COC1 62a_100010264016_100000211926 [0,0,0,1,0,0|2,0,1]=4 3000 B9R1.33 CC1CCCC1OCF 34a_100011216460_100015361967 [0,0,0,1,0,0|2,0,1]=4 3001 B9R1.33 CC1CCCC1OCF 7a_100011216460_100015361967 [0,0,0,1,0,0|2,0,1]=4 3002 B9R1.33 CC1SCCN1CCO 2230a_200011216479_100000211926 [0,0,0,1,0,0|2,0,1]=4 3003 B9R1.33 CC1SCCN1CCO 269982a_200011216479_100000211926 [0,0,0,1,0,0|2,0,1]=4 3004 B9R1.33 CC1SCCN1CCO 34a_200011216479_100000211926 [0,0,0,1,0,0|2,0,1]=4 3005 B9R1.33 CCCN1CCC[C@@H]1C 2230a_100020605311_100000210303 [0,0,0,1,0,0|2,0,1]=4 3006 B9R1.33 CCCN1CCC[C@@H]1C 269982a_100020605311_100000210303 [0,0,0,1,0,0|2,0,1]=4 3007 B9R1.33 CCCN1CCC[C@H]1C 2230a_100015189458_100000210303 [0,0,0,1,0,0|2,0,1]=4 3008 B9R1.33 CCCN1CCC[C@H]1C 269982a_100015189458_100000210303 [0,0,0,1,0,0|2,0,1]=4 3009 B9R1.33 CCCN1CCC[C@H]1C 34a_100015189458_100000210303 [0,0,0,1,0,0|2,0,1]=4 3010 B9R1.33 CCNC1CCCC1C 269862a_100015525214_100000752053 [0,0,0,1,0,0|2,0,1]=4 3011 B9R1.33 CCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210202 [0,0,0,1,0,0|2,0,1]=4 3012 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [0,0,0,1,0,0|2,0,1]=4 3013 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [0,0,0,1,0,0|2,0,1]=4 3014 B9R1.33 CCOC1COCC1O 34a_100121572206_200000725654 [0,0,0,1,0,0|2,0,1]=4 3015 B9R1.33 CCSC1COCC1O 62a_100000210202_200000725654 [0,0,0,1,0,0|2,0,1]=4 3016 B9R1.33 CCSC1COCC1O 62a_200000725654_100000210202 [0,0,0,1,0,0|2,0,1]=4 3017 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_100000210202_200016002552 [0,0,0,1,0,0|1,0,2]=4 3018 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210202 [0,0,0,1,0,0|1,0,2]=4 3019 B9R1.33 C[C@@H]1CCCN1CCF 2230a_100015189458_100011217306 [0,0,0,1,0,0|2,0,1]=4 3020 B9R1.33 C[C@@H]1CCCN1CCF 269982a_100015189458_100011217306 [0,0,0,1,0,0|2,0,1]=4 3021 B9R1.33 C[C@@H]1CCCN1CCF 34a_100015189458_100011217306 [0,0,0,1,0,0|2,0,1]=4 3022 B9R1.33 C[C@@H]1CCCN1CCO 2230a_100015189458_100000211926 [0,0,0,1,0,0|1,0,1]=3 3023 B9R1.33 C[C@@H]1CCCN1CCO 269982a_100015189458_100000211926 [0,0,0,1,0,0|1,0,1]=3 3024 B9R1.33 C[C@@H]1CCCN1CCO 34a_100015189458_100000211926 [0,0,0,1,0,0|1,0,1]=3 3025 B9R1.33 C[C@H]1CCCN1CCF 2230a_100020605311_100011217306 [0,0,0,1,0,0|2,0,1]=4 3026 B9R1.33 C[C@H]1CCCN1CCF 269982a_100020605311_100011217306 [0,0,0,1,0,0|2,0,1]=4 3027 B9R1.33 C[C@H]1CCCN1CCO 2230a_100020605311_100000211926 [0,0,0,1,0,0|1,0,1]=3 3028 B9R1.33 C[C@H]1CCCN1CCO 269982a_100020605311_100000211926 [0,0,0,1,0,0|1,0,1]=3 3029 B9R1.39 CC1CCN1CCCO 269982a_100000755817_100011215043 [0,0,0,1,0,0|1,0,2]=4 3030 B9R1.39 CC1CCN1CCCO 34a_100000755817_100000230001 [0,0,0,1,0,0|1,0,2]=4 3031 B9R1.83 BrCCOCCC1CC1 34a_100000211926_100000694398 [0,0,0,1,0,0|2,0,1]=4 3032 B9R1.83 CC/C=C\CNC1CC1 34a_100000212008_100103147603 [0,0,0,1,0,0|2,0,0]=3 3033 B9R1.83 CC/C=C\COC1CC1 34a_100016268518_100000211595 [0,0,0,1,0,0|2,0,0]=3 3034 B9R1.83 CC/C=C\CSC1CC1 62a_100103147603_100000211595 [0,0,0,1,0,0|2,0,0]=3 3035 B9R1.83 CCC=NNCC1CC1 4a_100000736359_100000210100 [0,0,0,1,0,0|3,0,0]=4 3036 B9R1.83 CCCCCNC1CC1 34a_100000212008_100000718602 [0,0,0,1,0,0|2,0,1]=4 3037 B9R1.83 CCCCCOC1CC1 34a_100000210253_100000211595 [0,0,0,1,0,0|2,0,1]=4 3038 B9R1.83 CCCCCSC1CC1 62a_100000210326_100000211595 [0,0,0,1,0,0|2,0,1]=4 3039 B9R1.83 CCCCNCC1CO1 2230a_100000102301_100011216344 [0,0,0,1,0,0|1,0,2]=4 3040 B9R1.83 CCCCNCC1CO1 7a_106832991798_102125554688 [0,0,0,1,0,0|1,0,2]=4 3041 B9R1.83 CCCCNC[C@@H]1CO1 7a_106832991798_100000745022 [0,0,0,1,0,0|1,0,2]=4 3042 B9R1.83 CCCCOCC1CO1 34a_100000210227_102125554688 [0,0,0,1,0,0|1,0,2]=4 3043 B9R1.83 CCCCOCC1CO1 7a_100000210227_102125554688 [0,0,0,1,0,0|1,0,2]=4 3044 B9R1.83 CCCCOC[C@@H]1CO1 34a_100000757423_100000210210 [0,0,0,1,0,0|1,0,2]=4 3045 B9R1.83 CCCCOC[C@@H]1CO1 7a_100000210227_100000745022 [0,0,0,1,0,0|1,0,2]=4 3046 B9R1.83 CCCCSCC1CO1 62a_100000210211_102125554688 [0,0,0,1,0,0|1,0,2]=4 3047 B9R1.83 CCCCSCC1CO1 62a_102125554688_100000210210 [0,0,0,1,0,0|1,0,2]=4 3048 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000210211_100000745022 [0,0,0,1,0,0|1,0,2]=4 3049 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000745022_100000210210 [0,0,0,1,0,0|1,0,2]=4 3050 B9R1.83 CCCNCCC1CC1 34a_100000764129_100000210303 [0,0,0,1,0,0|2,0,1]=4 3051 B9R1.83 CCCOCCC1CC1 34a_100000210258_100000694398 [0,0,0,1,0,0|2,0,1]=4 3052 B9R1.83 CCCOCCC1CC1 34a_100000754188_100000210303 [0,0,0,1,0,0|2,0,1]=4 3053 B9R1.83 CCCOCCC1CC1 7a_100000754188_100000210303 [0,0,0,1,0,0|2,0,1]=4 3054 B9R1.83 CCCOCCC1CO1 34a_100000210258_100000732470 [0,0,0,1,0,0|1,0,2]=4 3055 B9R1.83 CCCOCC[C@@H]1CO1 34a_100009820653_100000210303 [0,0,0,1,0,0|1,0,2]=4 3056 B9R1.83 CCCSCCC1CC1 62a_100000210303_100000764125 [0,0,0,1,0,0|2,0,1]=4 3057 B9R1.83 CCCSCCC1CC1 62a_100000764125_100000210303 [0,0,0,1,0,0|2,0,1]=4 3058 B9R1.83 CCCSCCC1CO1 62a_100000210303_100000732470 [0,0,0,1,0,0|1,0,2]=4 3059 B9R1.83 CCCSCCC1CO1 62a_100000732470_100000210303 [0,0,0,1,0,0|1,0,2]=4 3060 B9R1.83 CCNCCCC1CO1 2230a_100015525214_100000733510 [0,0,0,1,0,0|1,0,2]=4 3061 B9R1.83 CCOCCCC1CO1 34a_100121572206_100000733510 [0,0,0,1,0,0|1,0,2]=4 3062 B9R1.83 CCSCCCC1CO1 62a_100000210202_100000733510 [0,0,0,1,0,0|1,0,2]=4 3063 B9R1.83 CCSCCCC1CO1 62a_100000733510_100000210202 [0,0,0,1,0,0|1,0,2]=4 3064 B9R1.83 FCCNCCC1CC1 34a_100000724931_100000694398 [0,0,0,1,0,0|2,0,1]=4 3065 B9R1.83 FCCNCCC1CC1 34a_100000764129_100011217306 [0,0,0,1,0,0|2,0,1]=4 3066 B9R1.83 FCCOCCC1CC1 34a_100000754188_100011217306 [0,0,0,1,0,0|2,0,1]=4 3067 B9R1.83 FCCOCCC1CC1 7a_100000754188_100011217306 [0,0,0,1,0,0|2,0,1]=4 3068 B9R1.83 FCCSCCC1CC1 62a_100000764125_100011217306 [0,0,0,1,0,0|2,0,1]=4 3069 B9R1.83 FCCSCCC1CC1 62a_100011217306_100000764125 [0,0,0,1,0,0|2,0,1]=4 3070 B9R1.83 NCCOCCC1CC1 34a_100000210304_100000694398 [0,0,0,1,0,0|2,0,1]=4 3071 B9R1.83 OCC#CCNC1CC1 34a_100000212008_200000047223 [0,0,0,1,0,0|1,0,2]=4 3072 B9R1.83 OCC#CCSC1CC1 62a_200000047223_100000211595 [0,0,0,1,0,0|1,0,2]=4 3073 B9R1.83 OCCCCNC1CC1 34a_100000212008_100011216708 [0,0,0,1,0,0|1,0,2]=4 3074 B9R1.83 OCCCCNC1CC1 34a_100000750430_100000211595 [0,0,0,1,0,0|1,0,2]=4 3075 B9R1.83 OCCCCSC1CC1 62a_100000210776_100000211595 [0,0,0,1,0,0|1,0,2]=4 3076 B9R1.83 OCCCNCC1CC1 2230a_100000735609_100000230001 [0,0,0,1,0,0|1,0,2]=4 3077 B9R1.83 OCCCNCC1CC1 269862a_100000182051_100000741477 [0,0,0,1,0,0|1,0,2]=4 3078 B9R1.83 OCCCNCC1CC1 34a_100000735609_100000230001 [0,0,0,1,0,0|1,0,2]=4 3079 B9R1.83 OCCCOCC1CC1 34a_100000211283_100000230001 [0,0,0,1,0,0|1,0,2]=4 3080 B9R1.83 OCCCSCC1CC1 62a_100000756562_100011215043 [0,0,0,1,0,0|1,0,2]=4 3081 B9R1.83 OCCCSCC1CC1 62a_100011215043_100000742324 [0,0,0,1,0,0|1,0,2]=4 3082 B9R1.83 OCCNCCC1CC1 2230a_100016997473_100000694398 [0,0,0,1,0,0|1,0,1]=3 3083 B9R1.83 OCCNCCC1CC1 34a_100000764129_100000211926 [0,0,0,1,0,0|1,0,1]=3 3084 B9R1.83 OCCNCCC1CC1 34a_100016990907_100000694398 [0,0,0,1,0,0|1,0,1]=3 3085 B9R1.83 OCCNCCC1CO1 2230a_100016997473_100000732470 [0,0,0,1,0,0|2,0,1]=4 3086 B9R1.83 OCCNCCC1CO1 34a_100016990907_100000732470 [0,0,0,1,0,0|2,0,1]=4 3087 B9R1.83 OCCOCCC1CC1 34a_100000754188_100000211926 [0,0,0,1,0,0|1,0,1]=3 3088 B9R1.83 OCCOCCC1CC1 7a_100000754188_100000211926 [0,0,0,1,0,0|1,0,1]=3 3089 B9R1.83 OCCOCC[C@@H]1CO1 34a_100009820653_100000211926 [0,0,0,1,0,0|2,0,1]=4 3090 B9R1.83 OCCSCCC1CC1 62a_100000211926_100000764125 [0,0,0,1,0,0|1,0,1]=3 3091 B9R1.83 OCCSCCC1CC1 62a_100000764125_100000211926 [0,0,0,1,0,0|1,0,1]=3 3092 B9R1.83 OCCSCCC1CO1 62a_100000211926_100000732470 [0,0,0,1,0,0|2,0,1]=4 3093 B9R1.83 OCCSCCC1CO1 62a_100000732470_100000211926 [0,0,0,1,0,0|2,0,1]=4 3094 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [0,0,0,1,0,0|2,0,1]=4 3095 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [0,0,0,1,0,0|2,0,1]=4 3096 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [0,0,0,1,0,0|2,0,1]=4 3097 B9R1.89 FCN1CCCCCC1 269982a_100000185865_100015361967 [0,0,0,1,0,0|2,0,1]=4 3098 B9R1.89 FCN1CCCCCC1 34a_100000185865_100015361967 [0,0,0,1,0,0|2,0,1]=4 3099 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [2,0,0,0,0,0|1,0,0]=3 3100 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [2,0,0,0,0,0|1,0,0]=3 3101 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [2,0,0,0,0,0|1,0,0]=3 3102 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [2,0,0,0,0,0|1,0,0]=3 3103 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [2,0,0,0,0,0|2,0,0]=4 3104 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [2,0,0,0,0,0|1,0,0]=3 3105 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [2,0,0,0,0,0|1,0,0]=3 3106 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [2,0,0,0,0,0|2,0,0]=4 3107 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [2,0,0,0,0,0|2,0,0]=4 3108 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [2,0,0,0,0,0|1,0,0]=3 3109 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [2,0,0,0,0,0|1,0,0]=3 3110 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [2,0,0,0,0,0|1,0,0]=3 3111 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [2,0,0,0,0,0|1,0,0]=3 3112 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [2,0,0,0,0,0|1,0,0]=3 3113 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [2,0,0,0,0,0|1,0,0]=3 3114 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [2,0,0,0,0,0|1,0,0]=3 3115 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|1,0,0]=3 3116 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|1,0,0]=3 3117 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|1,0,0]=3 3118 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|1,0,0]=3 3119 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|1,0,0]=3 3120 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|1,0,0]=3 3121 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|1,0,0]=3 3122 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|1,0,0]=3 3123 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|1,0,0]=3 3124 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [2,0,0,0,0,0|1,0,0]=3 3125 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [2,0,0,0,0,0|1,0,0]=3 3126 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [2,0,0,0,0,0|1,0,0]=3 3127 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [2,0,0,0,0,0|1,0,0]=3 3128 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [2,0,0,0,0,0|2,0,0]=4 3129 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [2,0,0,0,0,0|1,0,0]=3 3130 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [2,0,0,0,0,0|1,0,0]=3 3131 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [2,0,0,0,0,0|2,0,0]=4 3132 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [2,0,0,0,0,0|2,0,0]=4 3133 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [2,0,0,0,0,0|1,0,0]=3 3134 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [2,0,0,0,0,0|2,0,0]=4 3135 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [2,0,0,0,0,0|2,0,0]=4 3136 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [2,0,0,0,0,0|2,0,0]=4 3137 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [2,0,0,0,0,0|2,0,0]=4 3138 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [2,0,0,0,0,0|2,0,0]=4 3139 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [2,0,0,0,0,0|2,0,0]=4 3140 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [2,0,0,0,0,0|2,0,0]=4 3141 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [2,0,0,0,0,0|2,0,0]=4 3142 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [2,0,0,0,0,0|1,0,0]=3 3143 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [2,0,0,0,0,0|1,0,0]=3 3144 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [2,0,0,0,0,0|2,0,0]=4 3145 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [2,0,0,0,0,0|2,0,0]=4 3146 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [2,0,0,0,0,0|2,0,0]=4 3147 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [2,0,0,0,0,0|2,0,0]=4 3148 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [2,0,0,0,0,0|1,0,0]=3 3149 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [2,0,0,0,0,0|1,0,0]=3 3150 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [2,0,0,0,0,0|2,0,0]=4 3151 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [2,0,0,0,0,0|2,0,0]=4 3152 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [2,0,0,0,0,0|2,0,0]=4 3153 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [2,0,0,0,0,0|2,0,0]=4 3154 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [2,0,0,0,0,0|2,0,0]=4 3155 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [2,0,0,0,0,0|2,0,0]=4 3156 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [2,0,0,0,0,0|2,0,0]=4 3157 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [2,0,0,0,0,0|2,0,0]=4 3158 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [2,0,0,0,0,0|2,0,0]=4 3159 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [2,0,0,0,0,0|2,0,0]=4 3160 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [2,0,0,0,0,0|2,0,0]=4 3161 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [2,0,0,0,0,0|2,0,0]=4 3162 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [2,0,0,0,0,0|2,0,0]=4 3163 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [2,0,0,0,0,0|2,0,0]=4 3164 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [2,0,0,0,0,0|2,0,0]=4 3165 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [2,0,0,0,0,0|2,0,0]=4 3166 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [2,0,0,0,0,0|2,0,0]=4 3167 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [2,0,0,0,0,0|2,0,0]=4 3168 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [2,0,0,0,0,0|2,0,0]=4 3169 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [2,0,0,0,0,0|2,0,0]=4 3170 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [2,0,0,0,0,0|2,0,0]=4 3171 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [2,0,0,0,0,0|2,0,0]=4 3172 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [2,0,0,0,0,0|2,0,0]=4 3173 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [2,0,0,0,0,0|2,0,0]=4 3174 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [2,0,0,0,0,0|2,0,0]=4 3175 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [2,0,0,0,0,0|2,0,0]=4 3176 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [2,0,0,0,0,0|2,0,0]=4 3177 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [2,0,0,0,0,0|2,0,0]=4 3178 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [2,0,0,0,0,0|1,0,0]=3 3179 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [2,0,0,0,0,0|1,0,0]=3 3180 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [2,0,0,0,0,0|1,0,0]=3 3181 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [2,0,0,0,0,0|1,0,0]=3 3182 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [2,0,0,0,0,0|2,0,0]=4 3183 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [2,0,0,0,0,0|2,0,0]=4 3184 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [2,0,0,0,0,0|2,0,0]=4 3185 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|1,0,0]=3 3186 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|1,0,0]=3 3187 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|1,0,0]=3 3188 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|1,0,0]=3 3189 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|1,0,0]=3 3190 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|1,0,0]=3 3191 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|1,0,0]=3 3192 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|1,0,0]=3 3193 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|1,0,0]=3 3194 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|1,0,0]=3 3195 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|1,0,0]=3 3196 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|1,0,0]=3 3197 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|1,0,0]=3 3198 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|1,0,0]=3 3199 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,1]=4 3200 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,1]=4 3201 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,1]=4 3202 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [2,0,0,0,0,0|2,0,0]=4 3203 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|1,0,1]=4 3204 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|1,0,1]=4 3205 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|1,0,1]=4 3206 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [2,0,0,0,0,0|2,0,0]=4 3207 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [2,0,0,0,0,0|2,0,0]=4 3208 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|1,0,1]=4 3209 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|1,0,1]=4 3210 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [2,0,0,0,0,0|2,0,0]=4 3211 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [2,0,0,0,0,0|2,0,0]=4 3212 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [2,0,0,0,0,0|2,0,0]=4 3213 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [2,0,0,0,0,0|1,0,0]=3 3214 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [2,0,0,0,0,0|1,0,0]=3 3215 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|1,0,1]=4 3216 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [2,0,0,0,0,0|2,0,0]=4 3217 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [2,0,0,0,0,0|1,0,1]=4 3218 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [2,0,0,0,0,0|2,0,0]=4 3219 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [2,0,0,0,0,0|2,0,0]=4 3220 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [2,0,0,0,0,0|1,0,0]=3 3221 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [2,0,0,0,0,0|2,0,0]=4 3222 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|1,0,1]=4 3223 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|1,0,1]=4 3224 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [2,0,0,0,0,0|1,0,1]=4 3225 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [2,0,0,0,0,0|2,0,0]=4 3226 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [2,0,0,0,0,0|2,0,0]=4 3227 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [2,0,0,0,0,0|1,0,0]=3 3228 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [2,0,0,0,0,0|1,0,0]=3 3229 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [2,0,0,0,0,0|2,0,0]=4 3230 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [2,0,0,0,0,0|2,0,0]=4 3231 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [2,0,0,0,0,0|2,0,0]=4 3232 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [2,0,0,0,0,0|2,0,0]=4 3233 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [2,0,0,0,0,0|2,0,0]=4 3234 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [2,0,0,0,0,0|2,0,0]=4 3235 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [2,0,0,0,0,0|2,0,0]=4 3236 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [2,0,0,0,0,0|1,0,0]=3 3237 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [2,0,0,0,0,0|2,0,0]=4 3238 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [2,0,0,0,0,0|2,0,0]=4 3239 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [2,0,0,0,0,0|2,0,0]=4 3240 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [2,0,0,0,0,0|2,0,0]=4 3241 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [2,0,0,0,0,0|2,0,0]=4 3242 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [2,0,0,0,0,0|2,0,0]=4 3243 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [2,0,0,0,0,0|2,0,0]=4 3244 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [2,0,0,0,0,0|2,0,0]=4 3245 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [2,0,0,0,0,0|2,0,0]=4 3246 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|1,0,0]=3 3247 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [2,0,0,0,0,0|2,0,0]=4 3248 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [2,0,0,0,0,0|2,0,0]=4 3249 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [2,0,0,0,0,0|2,0,0]=4 3250 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [2,0,0,0,0,0|2,0,0]=4 3251 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [2,0,0,0,0,0|2,0,0]=4 3252 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [2,0,0,0,0,0|2,0,0]=4 3253 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [2,0,0,0,0,0|2,0,0]=4 3254 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [2,0,0,0,0,0|2,0,0]=4 3255 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [2,0,0,0,0,0|2,0,0]=4 3256 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [2,0,0,0,0,0|2,0,0]=4 3257 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [2,0,0,0,0,0|2,0,0]=4 3258 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [2,0,0,0,0,0|2,0,0]=4 3259 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [2,0,0,0,0,0|2,0,0]=4 3260 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [2,0,0,0,0,0|2,0,0]=4 3261 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [2,0,0,0,0,0|2,0,0]=4 3262 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [2,0,0,0,0,0|2,0,0]=4 3263 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [2,0,0,0,0,0|2,0,0]=4 3264 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [2,0,0,0,0,0|2,0,0]=4 3265 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [2,0,0,0,0,0|2,0,0]=4 3266 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [2,0,0,0,0,0|2,0,0]=4 3267 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [2,0,0,0,0,0|2,0,0]=4 3268 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [2,0,0,0,0,0|2,0,0]=4 3269 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [2,0,0,0,0,0|2,0,0]=4 3270 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [2,0,0,0,0,0|1,0,0]=3 3271 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [2,0,0,0,0,0|1,0,0]=3 3272 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [2,0,0,0,0,0|2,0,0]=4 3273 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [2,0,0,0,0,0|2,0,0]=4 3274 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [2,0,0,0,0,0|2,0,0]=4 3275 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [2,0,0,0,0,0|2,0,0]=4 3276 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [2,0,0,0,0,0|2,0,0]=4 3277 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [2,0,0,0,0,0|2,0,0]=4 3278 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [2,0,0,0,0,0|2,0,0]=4 3279 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [2,0,0,0,0,0|2,0,0]=4 3280 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [2,0,0,0,0,0|2,0,0]=4 3281 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [2,0,0,0,0,0|2,0,0]=4 3282 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [2,0,0,0,0,0|2,0,0]=4 3283 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [2,0,0,0,0,0|2,0,0]=4 3284 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [2,0,0,0,0,0|2,0,0]=4 3285 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [2,0,0,0,0,0|2,0,0]=4 3286 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [2,0,0,0,0,0|2,0,0]=4 3287 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [2,0,0,0,0,0|2,0,0]=4 3288 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [2,0,0,0,0,0|2,0,0]=4 3289 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [2,0,0,0,0,0|2,0,0]=4 3290 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|1,0,1]=4 3291 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|1,0,1]=4 3292 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 3293 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [2,0,0,0,0,0|2,0,0]=4 3294 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 3295 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [2,0,0,0,0,0|1,0,0]=3 3296 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [2,0,0,0,0,0|1,0,0]=3 3297 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,0]=3 3298 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [2,0,0,0,0,0|1,0,0]=3 3299 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [2,0,0,0,0,0|1,0,0]=3 3300 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [2,0,0,0,0,0|2,0,0]=4 3301 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [2,0,0,0,0,0|2,0,0]=4 3302 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [2,0,0,0,0,0|2,0,0]=4 3303 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [2,0,0,0,0,0|2,0,0]=4 3304 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [2,0,0,0,0,0|2,0,0]=4 3305 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [2,0,0,0,0,0|2,0,0]=4 3306 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [2,0,0,0,0,0|2,0,0]=4 3307 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [2,0,0,0,0,0|2,0,0]=4 3308 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [2,0,0,0,0,0|2,0,0]=4 3309 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [2,0,0,0,0,0|2,0,0]=4 3310 B6R0.6 COCCCCF 34a_100011995726_200000210301 [2,0,0,0,0,0|2,0,0]=4 3311 B6R0.6 COCCCCF 34a_100138415774_100000729493 [2,0,0,0,0,0|2,0,0]=4 3312 B6R0.6 COCCCCF 7a_100011995726_200000210301 [2,0,0,0,0,0|2,0,0]=4 3313 B6R0.6 COCCCCI 34a_200012148704_200000210301 [2,0,0,0,0,0|2,0,0]=4 3314 B6R0.6 COCCCCN 34a_100000750430_200000210301 [2,0,0,0,0,0|2,0,0]=4 3315 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|1,0,0]=3 3316 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [2,0,0,0,0,0|2,0,0]=4 3317 B6R0.6 COCCCOC 34a_100000740835_200000210301 [2,0,0,0,0,0|2,0,0]=4 3318 B6R0.6 COCCCOC 34a_100138415774_100000740836 [2,0,0,0,0,0|2,0,0]=4 3319 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [2,0,0,0,0,0|2,0,0]=4 3320 B6R0.6 COCCCSC 34a_100000690336_200000210301 [2,0,0,0,0,0|2,0,0]=4 3321 B6R0.6 COCCCSC 62a_100000709357_200000210301 [2,0,0,0,0,0|2,0,0]=4 3322 B6R0.6 COCCCSC 62a_200000210301_100000709357 [2,0,0,0,0,0|2,0,0]=4 3323 B6R0.6 COCCCSC 7a_100000690336_200000210301 [2,0,0,0,0,0|2,0,0]=4 3324 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [2,0,0,0,0,0|2,0,0]=4 3325 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [2,0,0,0,0,0|2,0,0]=4 3326 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [2,0,0,0,0,0|2,0,0]=4 3327 B6R0.6 COCSCCO 62a_100000211926_100000766300 [2,0,0,0,0,0|2,0,0]=4 3328 B6R0.6 COCSCCO 62a_100000766300_100000211926 [2,0,0,0,0,0|2,0,0]=4 3329 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|1,0,1]=4 3330 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|1,0,1]=4 3331 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [2,0,0,0,0,0|2,0,0]=4 3332 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [2,0,0,0,0,0|2,0,0]=4 3333 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|1,0,0]=3 3334 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|1,0,0]=3 3335 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [2,0,0,0,0,0|2,0,0]=4 3336 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [2,0,0,0,0,0|2,0,0]=4 3337 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [2,0,0,0,0,0|2,0,0]=4 3338 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [2,0,0,0,0,0|2,0,0]=4 3339 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [2,0,0,0,0,0|2,0,0]=4 3340 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [2,0,0,0,0,0|2,0,0]=4 3341 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [2,0,0,0,0,0|2,0,0]=4 3342 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [2,0,0,0,0,0|2,0,0]=4 3343 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [2,0,0,0,0,0|2,0,0]=4 3344 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [2,0,0,0,0,0|2,0,0]=4 3345 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [2,0,0,0,0,0|2,0,0]=4 3346 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [2,0,0,0,0,0|2,0,0]=4 3347 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [2,0,0,0,0,0|2,0,0]=4 3348 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [2,0,0,0,0,0|2,0,0]=4 3349 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [2,0,0,0,0,0|2,0,0]=4 3350 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [2,0,0,0,0,0|2,0,0]=4 3351 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [2,0,0,0,0,0|2,0,0]=4 3352 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [2,0,0,0,0,0|2,0,0]=4 3353 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [2,0,0,0,0,0|2,0,0]=4 3354 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [2,0,0,0,0,0|1,0,0]=3 3355 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,0]=3 3356 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [2,0,0,0,0,0|2,0,0]=4 3357 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [2,0,0,0,0,0|2,0,0]=4 3358 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [2,0,0,0,0,0|2,0,0]=4 3359 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [2,0,0,0,0,0|2,0,0]=4 3360 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [2,0,0,0,0,0|2,0,0]=4 3361 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [2,0,0,0,0,0|2,0,0]=4 3362 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [2,0,0,0,0,0|2,0,0]=4 3363 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|1,0,1]=4 3364 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|1,0,1]=4 3365 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [2,0,0,0,0,0|2,0,0]=4 3366 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [2,0,0,0,0,0|2,0,0]=4 3367 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|1,0,0]=3 3368 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|1,0,0]=3 3369 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [1,1,0,0,0,0|1,0,0]=3 3370 B8R0.1 C/C=C/C(C)OCCF 34a_200102604097_100011217306 [1,1,0,0,0,0|2,0,0]=4 3371 B8R0.1 C/C=C/C(C)OCCO 34a_200102604097_100000211926 [1,1,0,0,0,0|2,0,0]=4 3372 B8R0.1 C/C=C/C(C)OCSC 34a_200102604097_100011218213 [1,1,0,0,0,0|2,0,0]=4 3373 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,1,0,0,0,0|0,0,1]=3 3374 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [1,1,0,0,0,0|1,0,1]=4 3375 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [1,1,0,0,0,0|1,0,1]=4 3376 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [1,1,0,0,0,0|1,0,1]=4 3377 B8R0.1 C/C=C/CN(C)CCC 269982a_100000747261_100102629194 [1,1,0,0,0,0|1,0,0]=3 3378 B8R0.1 C/C=C/CN(C)CCO 269982a_100000210263_100102629194 [1,1,0,0,0,0|2,0,0]=4 3379 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,1,0,0,0,0|0,0,1]=3 3380 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [1,1,0,0,0,0|1,0,1]=4 3381 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [1,1,0,0,0,0|1,0,1]=4 3382 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [1,1,0,0,0,0|1,0,1]=4 3383 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [1,1,0,0,0,0|1,0,1]=4 3384 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [1,1,0,0,0,0|1,0,1]=4 3385 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [1,1,0,0,0,0|1,0,1]=4 3386 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [1,1,0,0,0,0|1,0,1]=4 3387 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,1,0,0,0,0|0,0,1]=3 3388 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,1,0,0,0,0|0,0,1]=3 3389 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [1,1,0,0,0,0|1,0,1]=4 3390 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [1,1,0,0,0,0|1,0,1]=4 3391 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [1,1,0,0,0,0|1,0,1]=4 3392 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [1,1,0,0,0,0|1,0,1]=4 3393 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [1,1,0,0,0,0|1,0,1]=4 3394 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [1,1,0,0,0,0|1,0,1]=4 3395 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [1,1,0,0,0,0|1,0,1]=4 3396 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [1,1,0,0,0,0|1,0,1]=4 3397 B8R0.1 CC=CCN(C)CCC 2230a_100000747261_100000070051 [1,1,0,0,0,0|1,0,0]=3 3398 B8R0.1 CC=CCN(C)CCO 2230a_100000210263_100000070051 [1,1,0,0,0,0|2,0,0]=4 3399 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [1,1,0,0,0,0|1,0,1]=4 3400 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,1,0,0,0,0|0,0,2]=4 3401 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [1,1,0,0,0,0|1,0,1]=4 3402 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [1,1,0,0,0,0|1,0,1]=4 3403 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [1,1,0,0,0,0|1,0,1]=4 3404 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [1,1,0,0,0,0|1,0,1]=4 3405 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [1,1,0,0,0,0|1,0,1]=4 3406 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [1,1,0,0,0,0|1,0,1]=4 3407 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [1,1,0,0,0,0|1,0,1]=4 3408 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [1,1,0,0,0,0|1,0,1]=4 3409 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [1,1,0,0,0,0|1,0,1]=4 3410 B8R0.1 CCCC(C)COCF 34a_100000688023_100015361967 [1,1,0,0,0,0|2,0,0]=4 3411 B8R0.1 CCCC(C)COCF 7a_100000688023_100015361967 [1,1,0,0,0,0|2,0,0]=4 3412 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [1,1,0,0,0,0|1,0,1]=4 3413 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [1,1,0,0,0,0|1,0,1]=4 3414 B8R0.1 CCCC(C)CSCF 62a_100011216630_100015361967 [1,1,0,0,0,0|2,0,0]=4 3415 B8R0.1 CCCC(C)CSCF 62a_100015361967_100011216630 [1,1,0,0,0,0|2,0,0]=4 3416 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [1,1,0,0,0,0|1,0,1]=4 3417 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [1,1,0,0,0,0|1,0,1]=4 3418 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [1,1,0,0,0,0|1,0,1]=4 3419 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [1,1,0,0,0,0|1,0,1]=4 3420 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [1,1,0,0,0,0|1,0,1]=4 3421 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [1,1,0,0,0,0|1,0,1]=4 3422 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [1,1,0,0,0,0|1,0,1]=4 3423 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [1,1,0,0,0,0|1,0,1]=4 3424 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [1,1,0,0,0,0|1,0,1]=4 3425 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [1,1,0,0,0,0|1,0,1]=4 3426 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [1,1,0,0,0,0|1,0,1]=4 3427 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,1,0,0,0,0|1,0,1]=4 3428 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,1,0,0,0,0|1,0,1]=4 3429 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [1,1,0,0,0,0|1,0,1]=4 3430 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,1,0,0,0,0|0,0,1]=3 3431 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,1,0,0,0,0|0,0,1]=3 3432 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,1,0,0,0,0|2,0,0]=4 3433 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,1,0,0,0,0|2,0,0]=4 3434 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,1,0,0,0,0|2,0,0]=4 3435 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [1,1,0,0,0,0|1,0,1]=4 3436 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [1,1,0,0,0,0|1,0,1]=4 3437 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [1,1,0,0,0,0|1,0,1]=4 3438 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [1,1,0,0,0,0|1,0,1]=4 3439 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [1,1,0,0,0,0|1,0,1]=4 3440 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [1,1,0,0,0,0|1,0,1]=4 3441 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [1,1,0,0,0,0|1,0,1]=4 3442 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,1,0,0,0,0|1,0,1]=4 3443 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,1,0,0,0,0|1,0,1]=4 3444 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,1,0,0,0,0|1,0,1]=4 3445 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [1,1,0,0,0,0|2,0,0]=4 3446 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [1,1,0,0,0,0|2,0,0]=4 3447 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [1,1,0,0,0,0|1,0,1]=4 3448 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [1,1,0,0,0,0|1,0,1]=4 3449 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [1,1,0,0,0,0|2,0,0]=4 3450 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [1,1,0,0,0,0|2,0,0]=4 3451 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [1,1,0,0,0,0|1,0,1]=4 3452 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [1,1,0,0,0,0|1,0,1]=4 3453 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [1,1,0,0,0,0|1,0,1]=4 3454 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [1,1,0,0,0,0|1,0,1]=4 3455 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [1,1,0,0,0,0|1,0,1]=4 3456 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [1,1,0,0,0,0|1,0,1]=4 3457 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [1,1,0,0,0,0|1,0,1]=4 3458 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [1,1,0,0,0,0|1,0,1]=4 3459 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [1,1,0,0,0,0|1,0,1]=4 3460 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|1,0,1]=4 3461 B8R0.1 CCCN(C)CCCO 2230a_100000213112_100000210303 [1,1,0,0,0,0|1,0,1]=4 3462 B8R0.1 CCCN(C)CCCO 2230a_100000747261_100000230001 [1,1,0,0,0,0|1,0,1]=4 3463 B8R0.1 CCCN(C)CCCO 269982a_100000213112_100000210303 [1,1,0,0,0,0|1,0,1]=4 3464 B8R0.1 CCCN(C)CCCO 269982a_100000747261_100011215043 [1,1,0,0,0,0|1,0,1]=4 3465 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [1,1,0,0,0,0|1,0,1]=4 3466 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [1,1,0,0,0,0|1,0,1]=4 3467 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [1,1,0,0,0,0|1,0,1]=4 3468 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [1,1,0,0,0,0|1,0,1]=4 3469 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [1,1,0,0,0,0|1,0,1]=4 3470 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [1,1,0,0,0,0|1,0,1]=4 3471 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [1,1,0,0,0,0|1,0,1]=4 3472 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [1,1,0,0,0,0|1,0,1]=4 3473 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [1,1,0,0,0,0|1,0,1]=4 3474 B8R0.1 CCC[C@H](N)COCF 34a_100000732646_100015361967 [1,1,0,0,0,0|2,0,0]=4 3475 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [1,1,0,0,0,0|2,0,0]=4 3476 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [1,1,0,0,0,0|1,0,1]=4 3477 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [1,1,0,0,0,0|2,0,0]=4 3478 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [1,1,0,0,0,0|1,0,1]=4 3479 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [1,1,0,0,0,0|2,0,0]=4 3480 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [1,1,0,0,0,0|2,0,0]=4 3481 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [1,1,0,0,0,0|1,0,1]=4 3482 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [1,1,0,0,0,0|1,0,1]=4 3483 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [1,1,0,0,0,0|1,0,1]=4 3484 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [1,1,0,0,0,0|1,0,1]=4 3485 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [1,1,0,0,0,0|1,0,1]=4 3486 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [1,1,0,0,0,0|1,0,1]=4 3487 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [1,1,0,0,0,0|1,0,1]=4 3488 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [1,1,0,0,0,0|1,0,1]=4 3489 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [1,1,0,0,0,0|1,0,1]=4 3490 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [1,1,0,0,0,0|1,0,1]=4 3491 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [1,1,0,0,0,0|0,0,2]=4 3492 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [1,1,0,0,0,0|0,0,2]=4 3493 B8R0.6 C/C=C/COC(C)CC 34a_100016270725_100011215416 [1,1,0,0,0,0|1,0,0]=3 3494 B8R0.6 C/C=C/COC(C)CC 7a_100000210228_100102629194 [1,1,0,0,0,0|1,0,0]=3 3495 B8R0.6 C/C=C/COC(C)CF 34a_100016041109_100102629194 [1,1,0,0,0,0|2,0,0]=4 3496 B8R0.6 C/C=C/COC(C)CF 7a_100016041109_100102629194 [1,1,0,0,0,0|2,0,0]=4 3497 B8R0.6 C/C=C/COC(C)CN 34a_100000210904_100102629194 [1,1,0,0,0,0|2,0,0]=4 3498 B8R0.6 C/C=C/COC(C)CO 34a_100016270725_100012180447 [1,1,0,0,0,0|2,0,0]=4 3499 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [1,1,0,0,0,0|1,0,0]=3 3500 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [1,1,0,0,0,0|1,0,0]=3 3501 B8R0.6 C/C=C/CSC(C)CO 62a_100012180447_100102629194 [1,1,0,0,0,0|2,0,0]=4 3502 B8R0.6 C/C=C/CSC(C)OC 62a_100009879195_100102629194 [1,1,0,0,0,0|2,0,0]=4 3503 B8R0.6 C/C=C/CSC(C)OC 62a_100102629194_100009879195 [1,1,0,0,0,0|2,0,0]=4 3504 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100016084084_100102629194 [1,1,0,0,0,0|2,0,0]=4 3505 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100102629194_100016084084 [1,1,0,0,0,0|2,0,0]=4 3506 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [1,1,0,0,0,0|0,0,1]=3 3507 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [1,1,0,0,0,0|1,0,1]=4 3508 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [1,1,0,0,0,0|1,0,1]=4 3509 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [1,1,0,0,0,0|1,0,1]=4 3510 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [1,1,0,0,0,0|1,0,1]=4 3511 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [1,1,0,0,0,0|1,0,1]=4 3512 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [1,1,0,0,0,0|1,0,1]=4 3513 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [1,1,0,0,0,0|1,0,1]=4 3514 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [1,1,0,0,0,0|0,0,2]=4 3515 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [1,1,0,0,0,0|1,0,1]=4 3516 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [1,1,0,0,0,0|1,0,1]=4 3517 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [1,1,0,0,0,0|0,0,2]=4 3518 B8R0.6 CC/C=C\CN(C)CC 2230a_100000225621_100103147603 [1,1,0,0,0,0|2,0,0]=4 3519 B8R0.6 CC/C=C\CN(C)CC 269982a_100000225621_100103147603 [1,1,0,0,0,0|2,0,0]=4 3520 B8R0.6 CC=CCNC(C)CC 2230a_100000209981_100000070051 [1,1,0,0,0,0|1,0,0]=3 3521 B8R0.6 CC=CCN[C@H](C)CO 2230a_100000737577_100000070051 [1,1,0,0,0,0|2,0,0]=4 3522 B8R0.6 CC=CCOC(C)CC 7a_100000210228_100000070051 [1,1,0,0,0,0|1,0,0]=3 3523 B8R0.6 CC=CCOC(C)CF 34a_100016041109_100000070051 [1,1,0,0,0,0|2,0,0]=4 3524 B8R0.6 CC=CCOC(C)CF 7a_100016041109_100000070051 [1,1,0,0,0,0|2,0,0]=4 3525 B8R0.6 CC=CCOC(C)CN 34a_100000210904_100000070051 [1,1,0,0,0,0|2,0,0]=4 3526 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [1,1,0,0,0,0|1,0,0]=3 3527 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [1,1,0,0,0,0|1,0,0]=3 3528 B8R0.6 CC=CCSC(C)CO 62a_100012180447_100000070051 [1,1,0,0,0,0|2,0,0]=4 3529 B8R0.6 CC=CCSC(C)OC 62a_100000070051_100009879195 [1,1,0,0,0,0|2,0,0]=4 3530 B8R0.6 CC=CCSC(C)OC 62a_100009879195_100000070051 [1,1,0,0,0,0|2,0,0]=4 3531 B8R0.6 CC=CCS[C@H](C)CO 62a_100000070051_100016084084 [1,1,0,0,0,0|2,0,0]=4 3532 B8R0.6 CC=CCS[C@H](C)CO 62a_100016084084_100000070051 [1,1,0,0,0,0|2,0,0]=4 3533 B8R0.6 CC=NNCC(O)CC 4a_100015206393_200000210099 [1,1,0,0,0,0|2,0,0]=4 3534 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [1,1,0,0,0,0|0,0,2]=4 3535 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [1,1,0,0,0,0|1,0,1]=4 3536 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,1,0,0,0,0|0,0,2]=4 3537 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,1,0,0,0,0|0,0,2]=4 3538 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,1,0,0,0,0|1,0,1]=4 3539 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,1,0,0,0,0|1,0,1]=4 3540 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,1,0,0,0,0|1,0,1]=4 3541 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [1,1,0,0,0,0|1,0,1]=4 3542 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [1,1,0,0,0,0|1,0,1]=4 3543 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [1,1,0,0,0,0|2,0,0]=4 3544 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [1,1,0,0,0,0|1,0,1]=4 3545 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [1,1,0,0,0,0|1,0,1]=4 3546 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [1,1,0,0,0,0|1,0,1]=4 3547 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [1,1,0,0,0,0|1,0,1]=4 3548 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [1,1,0,0,0,0|1,0,1]=4 3549 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [1,1,0,0,0,0|1,0,1]=4 3550 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [1,1,0,0,0,0|1,0,1]=4 3551 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [1,1,0,0,0,0|1,0,1]=4 3552 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [1,1,0,0,0,0|1,0,1]=4 3553 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [1,1,0,0,0,0|1,0,1]=4 3554 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [1,1,0,0,0,0|1,0,1]=4 3555 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [1,1,0,0,0,0|1,0,1]=4 3556 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [1,1,0,0,0,0|1,0,1]=4 3557 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [1,1,0,0,0,0|1,0,1]=4 3558 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [1,1,0,0,0,0|1,0,1]=4 3559 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [1,1,0,0,0,0|1,0,1]=4 3560 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [1,1,0,0,0,0|1,0,1]=4 3561 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,1,0,0,0,0|0,0,1]=3 3562 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,1,0,0,0,0|0,0,1]=3 3563 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [1,1,0,0,0,0|1,0,0]=3 3564 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,1,0,0,0,0|0,0,0]=2 3565 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,1,0,0,0,0|1,0,0]=3 3566 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,1,0,0,0,0|1,0,0]=3 3567 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,1,0,0,0,0|1,0,0]=3 3568 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,1,0,0,0,0|1,0,0]=3 3569 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [1,1,0,0,0,0|1,0,1]=4 3570 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [1,1,0,0,0,0|1,0,1]=4 3571 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [1,1,0,0,0,0|1,0,1]=4 3572 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [1,1,0,0,0,0|1,0,1]=4 3573 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [1,1,0,0,0,0|1,0,1]=4 3574 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [1,1,0,0,0,0|1,0,1]=4 3575 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [1,1,0,0,0,0|1,0,1]=4 3576 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [1,1,0,0,0,0|1,0,1]=4 3577 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [1,1,0,0,0,0|1,0,1]=4 3578 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [1,1,0,0,0,0|1,0,1]=4 3579 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [1,1,0,0,0,0|1,0,1]=4 3580 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [1,1,0,0,0,0|1,0,1]=4 3581 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [1,1,0,0,0,0|1,0,1]=4 3582 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [1,1,0,0,0,0|1,0,1]=4 3583 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [1,1,0,0,0,0|1,0,1]=4 3584 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [1,1,0,0,0,0|1,0,1]=4 3585 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [1,1,0,0,0,0|1,0,1]=4 3586 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [1,1,0,0,0,0|1,0,1]=4 3587 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [1,1,0,0,0,0|1,0,1]=4 3588 B8R0.6 CCCCCN(C)CF 269982a_100000223495_100015361967 [1,1,0,0,0,0|2,0,0]=4 3589 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 3590 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 3591 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 3592 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [1,1,0,0,0,0|1,0,1]=4 3593 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [1,1,0,0,0,0|1,0,0]=3 3594 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [1,1,0,0,0,0|1,0,0]=3 3595 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [1,1,0,0,0,0|2,0,0]=4 3596 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [1,1,0,0,0,0|2,0,0]=4 3597 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [1,1,0,0,0,0|2,0,0]=4 3598 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [1,1,0,0,0,0|2,0,0]=4 3599 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [1,1,0,0,0,0|2,0,0]=4 3600 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [1,1,0,0,0,0|2,0,0]=4 3601 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [1,1,0,0,0,0|1,0,1]=4 3602 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [1,1,0,0,0,0|1,0,1]=4 3603 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [1,1,0,0,0,0|1,0,1]=4 3604 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [1,1,0,0,0,0|1,0,1]=4 3605 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [1,1,0,0,0,0|1,0,1]=4 3606 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [1,1,0,0,0,0|1,0,1]=4 3607 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [1,1,0,0,0,0|1,0,1]=4 3608 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [1,1,0,0,0,0|1,0,1]=4 3609 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [1,1,0,0,0,0|2,0,0]=4 3610 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [1,1,0,0,0,0|1,0,1]=4 3611 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [1,1,0,0,0,0|1,0,1]=4 3612 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [1,1,0,0,0,0|1,0,1]=4 3613 B8R0.6 CCCNN=C(C)CO 4a_100000740057_100000211253 [1,1,0,0,0,0|2,0,0]=4 3614 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [1,1,0,0,0,0|2,0,0]=4 3615 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [1,1,0,0,0,0|1,0,1]=4 3616 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [1,1,0,0,0,0|1,0,1]=4 3617 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [1,1,0,0,0,0|2,0,0]=4 3618 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [1,1,0,0,0,0|2,0,0]=4 3619 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [1,1,0,0,0,0|2,0,0]=4 3620 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [1,1,0,0,0,0|2,0,0]=4 3621 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [1,1,0,0,0,0|2,0,0]=4 3622 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [1,1,0,0,0,0|2,0,0]=4 3623 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [1,1,0,0,0,0|2,0,0]=4 3624 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [1,1,0,0,0,0|2,0,0]=4 3625 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [1,1,0,0,0,0|1,0,1]=4 3626 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [1,1,0,0,0,0|1,0,1]=4 3627 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [1,1,0,0,0,0|1,0,1]=4 3628 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [1,1,0,0,0,0|1,0,1]=4 3629 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [1,1,0,0,0,0|1,0,1]=4 3630 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [1,1,0,0,0,0|1,0,1]=4 3631 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [1,1,0,0,0,0|2,0,0]=4 3632 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [1,1,0,0,0,0|2,0,0]=4 3633 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [1,1,0,0,0,0|2,0,0]=4 3634 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [1,1,0,0,0,0|2,0,0]=4 3635 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [1,1,0,0,0,0|2,0,0]=4 3636 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [1,1,0,0,0,0|2,0,0]=4 3637 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [1,1,0,0,0,0|2,0,0]=4 3638 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [1,1,0,0,0,0|2,0,0]=4 3639 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [1,1,0,0,0,0|2,0,0]=4 3640 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [1,1,0,0,0,0|1,0,1]=4 3641 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [1,1,0,0,0,0|1,0,1]=4 3642 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [1,1,0,0,0,0|1,0,1]=4 3643 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [1,1,0,0,0,0|1,0,1]=4 3644 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [1,1,0,0,0,0|1,0,1]=4 3645 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [1,1,0,0,0,0|1,0,1]=4 3646 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [1,1,0,0,0,0|1,0,1]=4 3647 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [1,1,0,0,0,0|1,0,1]=4 3648 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [1,1,0,0,0,0|1,0,1]=4 3649 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [1,1,0,0,0,0|1,0,1]=4 3650 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [1,1,0,0,0,0|1,0,1]=4 3651 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [1,1,0,0,0,0|1,0,1]=4 3652 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [1,1,0,0,0,0|1,0,1]=4 3653 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [1,1,0,0,0,0|1,0,1]=4 3654 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [1,1,0,0,0,0|2,0,0]=4 3655 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [1,1,0,0,0,0|2,0,0]=4 3656 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [1,1,0,0,0,0|2,0,0]=4 3657 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [1,1,0,0,0,0|2,0,0]=4 3658 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [1,1,0,0,0,0|1,0,1]=4 3659 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [1,1,0,0,0,0|1,0,1]=4 3660 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [1,1,0,0,0,0|1,0,1]=4 3661 B8R0.6 CCOCCC(=NO)N 34a_100000749954_100000210202 [1,1,0,0,0,0|2,0,0]=4 3662 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [1,1,0,0,0,0|1,0,1]=4 3663 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [1,1,0,0,0,0|1,0,1]=4 3664 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [1,1,0,0,0,0|2,0,0]=4 3665 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [1,1,0,0,0,0|1,0,0]=3 3666 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [1,1,0,0,0,0|2,0,0]=4 3667 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [1,1,0,0,0,0|2,0,0]=4 3668 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [1,1,0,0,0,0|2,0,0]=4 3669 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [1,1,0,0,0,0|2,0,0]=4 3670 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [1,1,0,0,0,0|2,0,0]=4 3671 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [1,1,0,0,0,0|2,0,0]=4 3672 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [1,1,0,0,0,0|2,0,0]=4 3673 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [1,1,0,0,0,0|1,0,1]=4 3674 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [1,1,0,0,0,0|1,0,1]=4 3675 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [1,1,0,0,0,0|1,0,1]=4 3676 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [1,1,0,0,0,0|2,0,0]=4 3677 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [1,1,0,0,0,0|1,0,0]=3 3678 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [1,1,0,0,0,0|2,0,0]=4 3679 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [1,1,0,0,0,0|2,0,0]=4 3680 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [1,1,0,0,0,0|2,0,0]=4 3681 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [1,1,0,0,0,0|2,0,0]=4 3682 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [1,1,0,0,0,0|2,0,0]=4 3683 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [1,1,0,0,0,0|2,0,0]=4 3684 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [1,1,0,0,0,0|2,0,0]=4 3685 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [1,1,0,0,0,0|2,0,0]=4 3686 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [1,1,0,0,0,0|1,0,1]=4 3687 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [1,1,0,0,0,0|1,0,1]=4 3688 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [1,1,0,0,0,0|1,0,1]=4 3689 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [1,1,0,0,0,0|1,0,1]=4 3690 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [1,1,0,0,0,0|1,0,1]=4 3691 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [1,1,0,0,0,0|2,0,0]=4 3692 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [1,1,0,0,0,0|2,0,0]=4 3693 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [1,1,0,0,0,0|2,0,0]=4 3694 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [1,1,0,0,0,0|2,0,0]=4 3695 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [1,1,0,0,0,0|2,0,0]=4 3696 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [1,1,0,0,0,0|2,0,0]=4 3697 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [1,1,0,0,0,0|2,0,0]=4 3698 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [1,1,0,0,0,0|2,0,0]=4 3699 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [1,1,0,0,0,0|2,0,0]=4 3700 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [1,1,0,0,0,0|2,0,0]=4 3701 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [1,1,0,0,0,0|2,0,0]=4 3702 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [1,1,0,0,0,0|2,0,0]=4 3703 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [1,1,0,0,0,0|2,0,0]=4 3704 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [1,1,0,0,0,0|2,0,0]=4 3705 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [1,1,0,0,0,0|2,0,0]=4 3706 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [1,1,0,0,0,0|2,0,0]=4 3707 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [1,1,0,0,0,0|2,0,0]=4 3708 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [1,1,0,0,0,0|2,0,0]=4 3709 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [1,1,0,0,0,0|2,0,0]=4 3710 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [1,1,0,0,0,0|2,0,0]=4 3711 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [1,1,0,0,0,0|2,0,0]=4 3712 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [1,1,0,0,0,0|2,0,0]=4 3713 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [1,1,0,0,0,0|2,0,0]=4 3714 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [1,1,0,0,0,0|2,0,0]=4 3715 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [1,1,0,0,0,0|2,0,0]=4 3716 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [1,1,0,0,0,0|2,0,0]=4 3717 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [1,1,0,0,0,0|2,0,0]=4 3718 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [1,1,0,0,0,0|2,0,0]=4 3719 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [1,1,0,0,0,0|2,0,0]=4 3720 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [1,1,0,0,0,0|1,0,0]=3 3721 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [1,1,0,0,0,0|2,0,0]=4 3722 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [1,1,0,0,0,0|2,0,0]=4 3723 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [1,1,0,0,0,0|2,0,0]=4 3724 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [1,1,0,0,0,0|2,0,0]=4 3725 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [1,1,0,0,0,0|2,0,0]=4 3726 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [1,1,0,0,0,0|2,0,0]=4 3727 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [1,1,0,0,0,0|1,0,1]=4 3728 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [1,1,0,0,0,0|2,0,0]=4 3729 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [1,1,0,0,0,0|1,0,0]=3 3730 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,1,0,0,0,0|1,0,0]=3 3731 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [1,1,0,0,0,0|2,0,0]=4 3732 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [1,1,0,0,0,0|2,0,0]=4 3733 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [1,1,0,0,0,0|2,0,0]=4 3734 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [1,1,0,0,0,0|2,0,0]=4 3735 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [1,1,0,0,0,0|1,0,0]=3 3736 B8R0.7 C/C=C/CNCC(C)C 34a_100000210953_100102629194 [1,1,0,0,0,0|1,0,0]=3 3737 B8R0.7 C/C=C/CNCC(C)O 34a_100000210904_100102629194 [1,1,0,0,0,0|1,0,0]=3 3738 B8R0.7 C/C=C/CNCC(F)F 34a_100000765723_100102629194 [1,1,0,0,0,0|2,0,0]=4 3739 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [1,1,0,0,0,0|1,0,1]=4 3740 B8R0.7 C/C=C/COCC(C)Br 34a_100012180447_100102629194 [1,1,0,0,0,0|1,0,0]=3 3741 B8R0.7 C/C=C/COCC(C)C 34a_100000210257_100102629194 [1,1,0,0,0,0|1,0,0]=3 3742 B8R0.7 C/C=C/COCC(C)C 34a_100016270725_100000210624 [1,1,0,0,0,0|1,0,0]=3 3743 B8R0.7 C/C=C/COCC(C)F 34a_100015925927_100102629194 [1,1,0,0,0,0|1,0,0]=3 3744 B8R0.7 C/C=C/COCC(C)O 34a_100016270725_100011218427 [1,1,0,0,0,0|1,0,0]=3 3745 B8R0.7 C/C=C/COCC(F)F 34a_100000743014_100102629194 [1,1,0,0,0,0|2,0,0]=4 3746 B8R0.7 C/C=C/COCC(F)F 34a_100016270725_100011934356 [1,1,0,0,0,0|2,0,0]=4 3747 B8R0.7 C/C=C/COC[C@@H](C)Cl 34a_100016084084_100102629194 [1,1,0,0,0,0|1,0,0]=3 3748 B8R0.7 C/C=C/COC[C@@H](C)N 34a_100000737577_100102629194 [1,1,0,0,0,0|1,0,0]=3 3749 B8R0.7 C/C=C/COC[C@@H](C)O 34a_100016270725_100009817552 [1,1,0,0,0,0|1,0,0]=3 3750 B8R0.7 C/C=C/CSCC(C)C 62a_100000210624_100102629194 [1,1,0,0,0,0|1,0,0]=3 3751 B8R0.7 C/C=C/CSCC(C)C 62a_100102629194_100000210760 [1,1,0,0,0,0|1,0,0]=3 3752 B8R0.7 C/C=C/CSCC(C)O 62a_100011218427_100102629194 [1,1,0,0,0,0|1,0,0]=3 3753 B8R0.7 C/C=C/CSCC(C)O 62a_100102629194_100011218427 [1,1,0,0,0,0|1,0,0]=3 3754 B8R0.7 C/C=C/CSCC(F)F 62a_100011934356_100102629194 [1,1,0,0,0,0|2,0,0]=4 3755 B8R0.7 C/C=C/CSCC(F)F 62a_100102629194_100011934356 [1,1,0,0,0,0|2,0,0]=4 3756 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100009817552_100102629194 [1,1,0,0,0,0|1,0,0]=3 3757 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100102629194_100009817552 [1,1,0,0,0,0|1,0,0]=3 3758 B8R0.7 C=C(C)C=NNCCC 4a_100000740057_100000210575 [1,1,0,0,0,0|2,0,0]=4 3759 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,1,0,0,0,0|1,0,1]=4 3760 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,1,0,0,0,0|1,0,1]=4 3761 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,1,0,0,0,0|1,0,1]=4 3762 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,1,0,0,0,0|1,0,1]=4 3763 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [1,1,0,0,0,0|1,0,1]=4 3764 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [1,1,0,0,0,0|1,0,1]=4 3765 B8R0.7 C=C(C)COC/C=C/C 34a_100000210245_100102629194 [1,1,0,0,0,0|1,0,1]=4 3766 B8R0.7 C=C(C)COC/C=C/C 34a_100016270725_100000748629 [1,1,0,0,0,0|1,0,1]=4 3767 B8R0.7 C=C(C)COCC=CC 34a_100000210245_100000070051 [1,1,0,0,0,0|1,0,1]=4 3768 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,1,0,0,0,0|1,0,1]=4 3769 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,1,0,0,0,0|1,0,1]=4 3770 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,1,0,0,0,0|1,0,1]=4 3771 B8R0.7 C=C(C)CSC/C=C/C 62a_100000748629_100102629194 [1,1,0,0,0,0|1,0,1]=4 3772 B8R0.7 C=C(C)CSC/C=C/C 62a_100102629194_100000211660 [1,1,0,0,0,0|1,0,1]=4 3773 B8R0.7 C=C(C)CSCC=CC 62a_100000070051_100000211660 [1,1,0,0,0,0|1,0,1]=4 3774 B8R0.7 C=C(C)CSCC=CC 62a_100000748629_100000070051 [1,1,0,0,0,0|1,0,1]=4 3775 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [1,1,0,0,0,0|1,0,1]=4 3776 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [1,1,0,0,0,0|1,0,1]=4 3777 B8R0.7 CC(=CCCSCF)C 62a_100011217483_100015361967 [1,1,0,0,0,0|2,0,0]=4 3778 B8R0.7 CC(=CCCSCF)C 62a_100015361967_100011217483 [1,1,0,0,0,0|2,0,0]=4 3779 B8R0.7 CC(=CCNCCF)C 34a_100000718196_100011217306 [1,1,0,0,0,0|2,0,0]=4 3780 B8R0.7 CC(=CCNCCF)C 34a_100000724931_100000761012 [1,1,0,0,0,0|2,0,0]=4 3781 B8R0.7 CC(=CCNCCO)C 2230a_100016997473_100000761012 [1,1,0,0,0,0|2,0,0]=4 3782 B8R0.7 CC(=CCNCCO)C 34a_100000718196_100000211926 [1,1,0,0,0,0|2,0,0]=4 3783 B8R0.7 CC(=CCNCCO)C 34a_100016990907_100000761012 [1,1,0,0,0,0|2,0,0]=4 3784 B8R0.7 CC(=CCOCCBr)C 34a_100000211926_100000761012 [1,1,0,0,0,0|2,0,0]=4 3785 B8R0.7 CC(=CCOCCF)C 34a_100000753907_100011217306 [1,1,0,0,0,0|2,0,0]=4 3786 B8R0.7 CC(=CCOCCN)C 34a_100000210304_100000761012 [1,1,0,0,0,0|2,0,0]=4 3787 B8R0.7 CC(=CCOCCO)C 34a_100000753907_100000211926 [1,1,0,0,0,0|2,0,0]=4 3788 B8R0.7 CC(=CCSCCF)C 62a_100000761012_100011217306 [1,1,0,0,0,0|2,0,0]=4 3789 B8R0.7 CC(=CCSCCF)C 62a_100011217306_100000761012 [1,1,0,0,0,0|2,0,0]=4 3790 B8R0.7 CC(=CCSCCO)C 62a_100000211926_100000761012 [1,1,0,0,0,0|2,0,0]=4 3791 B8R0.7 CC(=CCSCCO)C 62a_100000761012_100000211926 [1,1,0,0,0,0|2,0,0]=4 3792 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,1,0,0,0,0|1,0,1]=4 3793 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,1,0,0,0,0|0,0,2]=4 3794 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,1,0,0,0,0|0,0,2]=4 3795 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,1,0,0,0,0|1,0,1]=4 3796 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,1,0,0,0,0|1,0,1]=4 3797 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,1,0,0,0,0|2,0,0]=4 3798 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,1,0,0,0,0|2,0,0]=4 3799 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,1,0,0,0,0|2,0,0]=4 3800 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,1,0,0,0,0|2,0,0]=4 3801 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,1,0,0,0,0|2,0,0]=4 3802 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,1,0,0,0,0|2,0,0]=4 3803 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,1,0,0,0,0|2,0,0]=4 3804 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,1,0,0,0,0|2,0,0]=4 3805 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [1,1,0,0,0,0|2,0,0]=4 3806 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [1,1,0,0,0,0|2,0,0]=4 3807 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [1,1,0,0,0,0|1,0,1]=4 3808 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [1,1,0,0,0,0|1,0,1]=4 3809 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [1,1,0,0,0,0|1,0,1]=4 3810 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [1,1,0,0,0,0|1,0,1]=4 3811 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,1,0,0,0,0|1,0,1]=4 3812 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,1,0,0,0,0|1,0,1]=4 3813 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [1,1,0,0,0,0|2,0,0]=4 3814 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [1,1,0,0,0,0|2,0,0]=4 3815 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [1,1,0,0,0,0|2,0,0]=4 3816 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [1,1,0,0,0,0|2,0,0]=4 3817 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [1,1,0,0,0,0|2,0,0]=4 3818 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [1,1,0,0,0,0|1,0,1]=4 3819 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [1,1,0,0,0,0|1,0,1]=4 3820 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [1,1,0,0,0,0|1,0,1]=4 3821 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [1,1,0,0,0,0|1,0,1]=4 3822 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [1,1,0,0,0,0|1,0,1]=4 3823 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [1,1,0,0,0,0|1,0,1]=4 3824 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [1,1,0,0,0,0|1,0,1]=4 3825 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [1,1,0,0,0,0|1,0,1]=4 3826 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [1,1,0,0,0,0|1,0,1]=4 3827 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [1,1,0,0,0,0|1,0,1]=4 3828 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [1,1,0,0,0,0|1,0,1]=4 3829 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [1,1,0,0,0,0|1,0,1]=4 3830 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [1,1,0,0,0,0|1,0,1]=4 3831 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [1,1,0,0,0,0|1,0,1]=4 3832 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [1,1,0,0,0,0|1,0,1]=4 3833 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [1,1,0,0,0,0|1,0,1]=4 3834 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [1,1,0,0,0,0|1,0,1]=4 3835 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [1,1,0,0,0,0|1,0,1]=4 3836 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [1,1,0,0,0,0|1,0,1]=4 3837 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [1,1,0,0,0,0|1,0,1]=4 3838 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [1,1,0,0,0,0|1,0,1]=4 3839 B8R0.7 CC(O)CCCSCF 62a_100015361967_200000718107 [1,1,0,0,0,0|2,0,0]=4 3840 B8R0.7 CC(O)CCCSCF 62a_200000718107_100015361967 [1,1,0,0,0,0|2,0,0]=4 3841 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [1,1,0,0,0,0|1,0,1]=4 3842 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [1,1,0,0,0,0|1,0,1]=4 3843 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [1,1,0,0,0,0|1,0,1]=4 3844 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [1,1,0,0,0,0|1,0,1]=4 3845 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [1,1,0,0,0,0|1,0,1]=4 3846 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [1,1,0,0,0,0|1,0,1]=4 3847 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [1,1,0,0,0,0|1,0,1]=4 3848 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [1,1,0,0,0,0|1,0,1]=4 3849 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [1,1,0,0,0,0|1,0,1]=4 3850 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,1,0,0,0,0|1,0,1]=4 3851 B8R0.7 CC/C=C\CCN(C)C 2230a_100102631434_100015370543 [1,1,0,0,0,0|2,0,0]=4 3852 B8R0.7 CC/C=C\CCN(C)C 269982a_100102631434_100015370543 [1,1,0,0,0,0|2,0,0]=4 3853 B8R0.7 CC/C=C\CNC(C)C 2230a_100138425928_100103147603 [1,1,0,0,0,0|2,0,0]=4 3854 B8R0.7 CC/C=C\CNC(C)C 34a_100138425928_100103147603 [1,1,0,0,0,0|2,0,0]=4 3855 B8R0.7 CC/C=C\COC(C)C 34a_100000212225_100103147603 [1,1,0,0,0,0|2,0,0]=4 3856 B8R0.7 CC/C=C\COC(C)C 34a_100016268518_100000210206 [1,1,0,0,0,0|2,0,0]=4 3857 B8R0.7 CC/C=C\CSC(C)C 62a_100000210206_100103147603 [1,1,0,0,0,0|2,0,0]=4 3858 B8R0.7 CC/C=C\CSC(C)C 62a_100103147603_100000210206 [1,1,0,0,0,0|2,0,0]=4 3859 B8R0.7 CC=CCNCC(C)C 2230a_100000210953_100000070051 [1,1,0,0,0,0|1,0,0]=3 3860 B8R0.7 CC=CCNCC(C)C 34a_100000210953_100000070051 [1,1,0,0,0,0|1,0,0]=3 3861 B8R0.7 CC=CCNCC(C)O 2230a_100000210904_100000070051 [1,1,0,0,0,0|1,0,0]=3 3862 B8R0.7 CC=CCNCC(C)O 34a_100000210904_100000070051 [1,1,0,0,0,0|1,0,0]=3 3863 B8R0.7 CC=CCNCC(F)F 34a_100000765723_100000070051 [1,1,0,0,0,0|2,0,0]=4 3864 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [1,1,0,0,0,0|1,0,1]=4 3865 B8R0.7 CC=CCOCC(C)Br 34a_100012180447_100000070051 [1,1,0,0,0,0|1,0,0]=3 3866 B8R0.7 CC=CCOCC(C)C 34a_100000210257_100000070051 [1,1,0,0,0,0|1,0,0]=3 3867 B8R0.7 CC=CCOCC(C)F 34a_100015925927_100000070051 [1,1,0,0,0,0|1,0,0]=3 3868 B8R0.7 CC=CCOCC(F)F 34a_100000743014_100000070051 [1,1,0,0,0,0|2,0,0]=4 3869 B8R0.7 CC=CCOC[C@@H](C)Cl 34a_100016084084_100000070051 [1,1,0,0,0,0|1,0,0]=3 3870 B8R0.7 CC=CCOC[C@@H](C)N 34a_100000737577_100000070051 [1,1,0,0,0,0|1,0,0]=3 3871 B8R0.7 CC=CCSCC(C)C 62a_100000070051_100000210760 [1,1,0,0,0,0|1,0,0]=3 3872 B8R0.7 CC=CCSCC(C)C 62a_100000210624_100000070051 [1,1,0,0,0,0|1,0,0]=3 3873 B8R0.7 CC=CCSCC(C)O 62a_100000070051_100011218427 [1,1,0,0,0,0|1,0,0]=3 3874 B8R0.7 CC=CCSCC(C)O 62a_100011218427_100000070051 [1,1,0,0,0,0|1,0,0]=3 3875 B8R0.7 CC=CCSCC(F)F 62a_100000070051_100011934356 [1,1,0,0,0,0|2,0,0]=4 3876 B8R0.7 CC=CCSCC(F)F 62a_100011934356_100000070051 [1,1,0,0,0,0|2,0,0]=4 3877 B8R0.7 CC=CCSC[C@@H](C)O 62a_100000070051_100009817552 [1,1,0,0,0,0|1,0,0]=3 3878 B8R0.7 CC=CCSC[C@@H](C)O 62a_100009817552_100000070051 [1,1,0,0,0,0|1,0,0]=3 3879 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,1,0,0,0,0|0,0,1]=3 3880 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,1,0,0,0,0|0,0,1]=3 3881 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,0,0,0,0|0,0,1]=3 3882 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,0,0,0,0|0,0,1]=3 3883 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,0,0,0,0|0,0,1]=3 3884 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [1,1,0,0,0,0|1,0,1]=4 3885 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [1,1,0,0,0,0|1,0,1]=4 3886 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [1,1,0,0,0,0|1,0,1]=4 3887 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [1,1,0,0,0,0|1,0,1]=4 3888 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [1,1,0,0,0,0|1,0,1]=4 3889 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [1,1,0,0,0,0|1,0,1]=4 3890 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 3891 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 3892 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 3893 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,1,0,0,0,0|1,0,0]=3 3894 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [1,1,0,0,0,0|1,0,1]=4 3895 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [1,1,0,0,0,0|1,0,1]=4 3896 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [1,1,0,0,0,0|1,0,1]=4 3897 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,1,0,0,0,0|1,0,1]=4 3898 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,1,0,0,0,0|1,0,1]=4 3899 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,1,0,0,0,0|1,0,1]=4 3900 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [1,1,0,0,0,0|1,0,1]=4 3901 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [1,1,0,0,0,0|1,0,1]=4 3902 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,1,0,0,0,0|1,0,1]=4 3903 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [1,1,0,0,0,0|1,0,1]=4 3904 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [1,1,0,0,0,0|1,0,1]=4 3905 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [1,1,0,0,0,0|1,0,1]=4 3906 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [1,1,0,0,0,0|1,0,1]=4 3907 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [1,1,0,0,0,0|1,0,1]=4 3908 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [1,1,0,0,0,0|1,0,1]=4 3909 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [1,1,0,0,0,0|2,0,0]=4 3910 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,1,0,0,0,0|1,0,1]=4 3911 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,1,0,0,0,0|1,0,1]=4 3912 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,1,0,0,0,0|1,0,1]=4 3913 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,1,0,0,0,0|1,0,1]=4 3914 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [1,1,0,0,0,0|1,0,1]=4 3915 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [1,1,0,0,0,0|1,0,1]=4 3916 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [1,1,0,0,0,0|1,0,1]=4 3917 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [1,1,0,0,0,0|1,0,1]=4 3918 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,1,0,0,0,0|1,0,1]=4 3919 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,1,0,0,0,0|1,0,1]=4 3920 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [1,1,0,0,0,0|1,0,1]=4 3921 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [1,1,0,0,0,0|1,0,1]=4 3922 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [1,1,0,0,0,0|1,0,1]=4 3923 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [1,1,0,0,0,0|1,0,1]=4 3924 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [1,1,0,0,0,0|1,0,0]=3 3925 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,1,0,0,0,0|1,0,1]=4 3926 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [1,1,0,0,0,0|1,0,0]=3 3927 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [1,1,0,0,0,0|1,0,0]=3 3928 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,1,0,0,0,0|1,0,1]=4 3929 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,1,0,0,0,0|1,0,1]=4 3930 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,1,0,0,0,0|1,0,1]=4 3931 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,1,0,0,0,0|1,0,1]=4 3932 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,1,0,0,0,0|2,0,0]=4 3933 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [1,1,0,0,0,0|1,0,0]=3 3934 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [1,1,0,0,0,0|1,0,0]=3 3935 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,1,0,0,0,0|1,0,1]=4 3936 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,1,0,0,0,0|1,0,1]=4 3937 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,1,0,0,0,0|1,0,1]=4 3938 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,1,0,0,0,0|1,0,1]=4 3939 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,1,0,0,0,0|2,0,0]=4 3940 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,1,0,0,0,0|2,0,0]=4 3941 B8R0.7 CCNC/C=C/B(O)O 2230a_100015525214_100016262062 [1,1,0,0,0,0|2,0,0]=4 3942 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [1,1,0,0,0,0|1,0,0]=3 3943 B8R0.7 CCNCCC=C(F)F 2230a_100015525214_200009816681 [1,1,0,0,0,0|2,0,0]=4 3944 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [1,1,0,0,0,0|1,0,1]=4 3945 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [1,1,0,0,0,0|1,0,1]=4 3946 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [1,1,0,0,0,0|1,0,1]=4 3947 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [1,1,0,0,0,0|1,0,1]=4 3948 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,1,0,0,0,0|2,0,0]=4 3949 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,1,0,0,0,0|2,0,0]=4 3950 B8R0.7 CCOC/C=C/B(O)O 34a_100121572206_100016262062 [1,1,0,0,0,0|2,0,0]=4 3951 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [1,1,0,0,0,0|1,0,0]=3 3952 B8R0.7 CCOCCC=C(F)F 34a_100121572206_200009816681 [1,1,0,0,0,0|2,0,0]=4 3953 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,1,0,0,0,0|1,0,1]=4 3954 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,1,0,0,0,0|1,0,1]=4 3955 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,1,0,0,0,0|1,0,1]=4 3956 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,1,0,0,0,0|1,0,1]=4 3957 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [1,1,0,0,0,0|1,0,1]=4 3958 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [1,1,0,0,0,0|1,0,1]=4 3959 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [1,1,0,0,0,0|1,0,1]=4 3960 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,1,0,0,0,0|1,0,1]=4 3961 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,1,0,0,0,0|2,0,0]=4 3962 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,1,0,0,0,0|2,0,0]=4 3963 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,1,0,0,0,0|2,0,0]=4 3964 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,1,0,0,0,0|2,0,0]=4 3965 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,1,0,0,0,0|2,0,0]=4 3966 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,1,0,0,0,0|2,0,0]=4 3967 B8R0.7 CCSC/C=C/B(O)O 62a_100000210202_100016262062 [1,1,0,0,0,0|2,0,0]=4 3968 B8R0.7 CCSC/C=C/B(O)O 62a_100016262062_100000210202 [1,1,0,0,0,0|2,0,0]=4 3969 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [1,1,0,0,0,0|1,0,0]=3 3970 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [1,1,0,0,0,0|1,0,0]=3 3971 B8R0.7 CCSCCC=C(F)F 62a_100000210202_200009816681 [1,1,0,0,0,0|2,0,0]=4 3972 B8R0.7 CCSCCC=C(F)F 62a_200009816681_100000210202 [1,1,0,0,0,0|2,0,0]=4 3973 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,1,0,0,0,0|1,0,1]=4 3974 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,1,0,0,0,0|1,0,1]=4 3975 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [1,1,0,0,0,0|1,0,1]=4 3976 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [1,1,0,0,0,0|1,0,1]=4 3977 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [1,1,0,0,0,0|1,0,1]=4 3978 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [1,1,0,0,0,0|1,0,1]=4 3979 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 3980 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 3981 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 3982 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,1,0,0,0,0|2,0,0]=4 3983 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,1,0,0,0,0|2,0,0]=4 3984 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,1,0,0,0,0|2,0,0]=4 3985 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,1,0,0,0,0|2,0,0]=4 3986 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,1,0,0,0,0|2,0,0]=4 3987 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [1,1,0,0,0,0|1,0,1]=4 3988 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [1,1,0,0,0,0|1,0,1]=4 3989 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [1,1,0,0,0,0|1,0,1]=4 3990 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [1,1,0,0,0,0|1,0,1]=4 3991 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [1,1,0,0,0,0|1,0,1]=4 3992 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [1,1,0,0,0,0|1,0,1]=4 3993 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,1,0,0,0,0|1,0,1]=4 3994 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,1,0,0,0,0|1,0,1]=4 3995 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [1,1,0,0,0,0|1,0,1]=4 3996 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [1,1,0,0,0,0|1,0,1]=4 3997 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [1,1,0,0,0,0|1,0,1]=4 3998 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,1,0,0,0,0|2,0,0]=4 3999 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,1,0,0,0,0|2,0,0]=4 4000 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,1,0,0,0,0|2,0,0]=4 4001 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [1,1,0,0,0,0|2,0,0]=4 4002 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [1,1,0,0,0,0|2,0,0]=4 4003 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [1,1,0,0,0,0|2,0,0]=4 4004 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,1,0,0,0,0|2,0,0]=4 4005 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,1,0,0,0,0|2,0,0]=4 4006 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,1,0,0,0,0|2,0,0]=4 4007 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,1,0,0,0,0|1,0,1]=4 4008 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,1,0,0,0,0|1,0,1]=4 4009 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [1,1,0,0,0,0|1,0,1]=4 4010 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [1,1,0,0,0,0|1,0,1]=4 4011 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [1,1,0,0,0,0|1,0,1]=4 4012 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,1,0,0,0,0|2,0,0]=4 4013 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,1,0,0,0,0|2,0,0]=4 4014 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,1,0,0,0,0|2,0,0]=4 4015 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,1,0,0,0,0|2,0,0]=4 4016 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,1,0,0,0,0|2,0,0]=4 4017 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [1,1,0,0,0,0|2,0,0]=4 4018 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,1,0,0,0,0|2,0,0]=4 4019 B8R0.7 COCSCC=C(C)C 62a_100000761012_100000766300 [1,1,0,0,0,0|2,0,0]=4 4020 B8R0.7 COCSCC=C(C)C 62a_100000766300_100000761012 [1,1,0,0,0,0|2,0,0]=4 4021 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,1,0,0,0,0|1,0,1]=4 4022 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,1,0,0,0,0|1,0,1]=4 4023 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,1,0,0,0,0|1,0,1]=4 4024 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,1,0,0,0,0|1,0,1]=4 4025 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 4026 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 4027 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 4028 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,1,0,0,0,0|2,0,0]=4 4029 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,1,0,0,0,0|2,0,0]=4 4030 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,1,0,0,0,0|2,0,0]=4 4031 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [1,1,0,0,0,0|2,0,0]=4 4032 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [1,1,0,0,0,0|2,0,0]=4 4033 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,1,0,0,0,0|2,0,0]=4 4034 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,1,0,0,0,0|2,0,0]=4 4035 B8R0.7 CSCNCC=C(C)C 34a_100000718196_100011218213 [1,1,0,0,0,0|2,0,0]=4 4036 B8R0.7 CSCOCC=C(C)C 34a_100000753907_100011218213 [1,1,0,0,0,0|2,0,0]=4 4037 B8R0.7 CSCSCC=C(C)C 62a_100000761012_100011218213 [1,1,0,0,0,0|2,0,0]=4 4038 B8R0.7 CSCSCC=C(C)C 62a_100011218213_100000761012 [1,1,0,0,0,0|2,0,0]=4 4039 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [1,1,0,0,0,0|1,0,1]=4 4040 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [1,1,0,0,0,0|1,0,1]=4 4041 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [1,1,0,0,0,0|1,0,1]=4 4042 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [1,1,0,0,0,0|1,0,1]=4 4043 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [1,1,0,0,0,0|1,0,1]=4 4044 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,1,0,0,0,0|0,0,2]=4 4045 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,2,0,0,0,0|0,0,2]=4 4046 B10R0.3 CC(Br)COCC(=O)NCO 34a_100012180447_100000185155 [0,2,0,0,0,0|2,0,0]=4 4047 B10R0.3 CC(C)CCCC(=O)C=CBr 1458a_100016273825_100011214892 [0,2,0,0,0,0|1,0,1]=4 4048 B10R0.3 CC(C)CCCC(=O)C=CCl 1458a_200016279998_100011214892 [0,2,0,0,0,0|1,0,1]=4 4049 B10R0.3 CC(C)CCCC(=O)C=CI 1458a_100016256311_100011214892 [0,2,0,0,0,0|1,0,1]=4 4050 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [0,2,0,0,0,0|1,0,1]=4 4051 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [0,2,0,0,0,0|0,0,1]=3 4052 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [0,2,0,0,0,0|0,0,1]=3 4053 B10R0.3 CC(C)CCCN(C)CCO 2230a_100000210263_100011214892 [0,2,0,0,0,0|1,0,1]=4 4054 B10R0.3 CC(C)CCCN(C)CCO 269982a_100000210263_100011214892 [0,2,0,0,0,0|1,0,1]=4 4055 B10R0.3 CC(C)CCNC(=O)CCO 240690a_100000210545_100011216618 [0,2,0,0,0,0|1,0,1]=4 4056 B10R0.3 CC(C)CNCC(=O)NCO 2230a_100000210953_100000185155 [0,2,0,0,0,0|2,0,0]=4 4057 B10R0.3 CC(C)CNCC(=O)NCO 34a_100000210953_100000185155 [0,2,0,0,0,0|2,0,0]=4 4058 B10R0.3 CC(C)COCC(=O)CCO 1458a_100011223364_100000211926 [0,2,0,0,0,0|1,0,1]=4 4059 B10R0.3 CC(C)COCC(=O)NCO 34a_100000210257_100000185155 [0,2,0,0,0,0|2,0,0]=4 4060 B10R0.3 CC(C)CSCC(=O)NCO 62a_100000185155_100000210760 [0,2,0,0,0,0|2,0,0]=4 4061 B10R0.3 CC(C)CSCC(=O)NCO 62a_100000210624_100000185155 [0,2,0,0,0,0|2,0,0]=4 4062 B10R0.3 CC(C)OCCC(=O)CCO 1458a_100011216618_100000211751 [0,2,0,0,0,0|1,0,1]=4 4063 B10R0.3 CC(C)SCCC(=O)CCO 1458a_100011216618_100000730970 [0,2,0,0,0,0|1,0,1]=4 4064 B10R0.3 CC(F)COCC(=O)NCO 34a_100015925927_100000185155 [0,2,0,0,0,0|2,0,0]=4 4065 B10R0.3 CC(O)CCCC(=O)C=CBr 1458a_100016273825_200000718107 [0,2,0,0,0,0|1,0,1]=4 4066 B10R0.3 CC(O)CCCC(=O)C=CCl 1458a_200016279998_200000718107 [0,2,0,0,0,0|1,0,1]=4 4067 B10R0.3 CC(O)CCCC(=O)C=CI 1458a_100016256311_200000718107 [0,2,0,0,0,0|1,0,1]=4 4068 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [0,2,0,0,0,0|0,0,1]=3 4069 B10R0.3 CC(O)CCCN(C)CCO 2230a_100000210263_200000718107 [0,2,0,0,0,0|1,0,1]=4 4070 B10R0.3 CC(O)CCCN(C)CCO 269982a_100000210263_200000718107 [0,2,0,0,0,0|1,0,1]=4 4071 B10R0.3 CC(O)CCNC(=O)CCO 240690a_200000755665_100011216618 [0,2,0,0,0,0|1,0,1]=4 4072 B10R0.3 CC(O)CNCC(=O)NCO 2230a_100000210904_100000185155 [0,2,0,0,0,0|2,0,0]=4 4073 B10R0.3 CC(O)CNCC(=O)NCO 34a_100000210904_100000185155 [0,2,0,0,0,0|2,0,0]=4 4074 B10R0.3 CC(O)CSCC(=O)NCO 62a_100000185155_100011218427 [0,2,0,0,0,0|2,0,0]=4 4075 B10R0.3 CC(O)CSCC(=O)NCO 62a_100011218427_100000185155 [0,2,0,0,0,0|2,0,0]=4 4076 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [0,2,0,0,0,0|1,0,1]=4 4077 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [0,2,0,0,0,0|1,0,1]=4 4078 B10R0.3 CCCC(=O)C/C=C/B(O)O 1458a_100000211992_100016262062 [0,2,0,0,0,0|1,0,1]=4 4079 B10R0.3 CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210303 [0,2,0,0,0,0|1,0,1]=4 4080 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,2,0,0,0,0|1,0,1]=4 4081 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,2,0,0,0,0|1,0,1]=4 4082 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,2,0,0,0,0|1,0,1]=4 4083 B10R0.3 CCCC(C)CNCC(C)O 2230a_100000210904_100011216630 [0,2,0,0,0,0|1,0,1]=4 4084 B10R0.3 CCCC(C)CNCC(C)O 270004a_100000210904_100000243154 [0,2,0,0,0,0|1,0,1]=4 4085 B10R0.3 CCCC(C)CNCC(C)O 34a_100000210904_100011216630 [0,2,0,0,0,0|1,0,1]=4 4086 B10R0.3 CCCC(C)COCC(C)O 34a_100000688023_100011218427 [0,2,0,0,0,0|1,0,1]=4 4087 B10R0.3 CCCC(C)COCC(C)O 7a_100000688023_100011218427 [0,2,0,0,0,0|1,0,1]=4 4088 B10R0.3 CCCC(C)COC[C@@H](C)O 34a_100000688023_100009817552 [0,2,0,0,0,0|1,0,1]=4 4089 B10R0.3 CCCC(C)COC[C@@H](C)O 7a_100000688023_100009817552 [0,2,0,0,0,0|1,0,1]=4 4090 B10R0.3 CCCC(C)CSCC(C)O 62a_100011216630_100011218427 [0,2,0,0,0,0|1,0,1]=4 4091 B10R0.3 CCCC(C)CSCC(C)O 62a_100011218427_100011216630 [0,2,0,0,0,0|1,0,1]=4 4092 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100009817552_100011216630 [0,2,0,0,0,0|1,0,1]=4 4093 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100011216630_100009817552 [0,2,0,0,0,0|1,0,1]=4 4094 B10R0.3 CCCN(C)C/C=C/B(O)O 2230a_100000747261_100016262062 [0,2,0,0,0,0|2,0,0]=4 4095 B10R0.3 CCCN(C)C/C=C/B(O)O 269982a_100000747261_100016262062 [0,2,0,0,0,0|2,0,0]=4 4096 B10R0.3 CCC[C@H](N)COCC(C)O 34a_100000732646_100011218427 [0,2,0,0,0,0|1,0,1]=4 4097 B10R0.3 CCC[C@H](N)COC[C@@H](C)O 34a_100000732646_100009817552 [0,2,0,0,0,0|1,0,1]=4 4098 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,2,0,0,0,0|2,0,0]=4 4099 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,2,0,0,0,0|2,0,0]=4 4100 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,2,0,0,0,0|2,0,0]=4 4101 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,2,0,0,0,0|2,0,0]=4 4102 B10R0.3 CN(C)CCCC(=O)CCO 1458a_100011216618_100000695564 [0,2,0,0,0,0|1,0,1]=4 4103 B10R0.3 C[C@@H](Cl)COCC(=O)NCO 34a_100016084084_100000185155 [0,2,0,0,0,0|2,0,0]=4 4104 B10R0.3 C[C@@H](N)COCC(=O)NCO 34a_100000737577_100000185155 [0,2,0,0,0,0|2,0,0]=4 4105 B10R0.3 C[C@@H](O)CSCC(=O)NCO 62a_100000185155_100009817552 [0,2,0,0,0,0|2,0,0]=4 4106 B10R0.3 C[C@@H](O)CSCC(=O)NCO 62a_100009817552_100000185155 [0,2,0,0,0,0|2,0,0]=4 4107 B10R0.4 C=C(C)CCOC/C=C\CC 34a_100000764851_100103147603 [0,2,0,0,0,0|1,0,1]=4 4108 B10R0.4 C=C(C)CCOC/C=C\CC 34a_100016268518_100000730704 [0,2,0,0,0,0|1,0,1]=4 4109 B10R0.4 C=C(C)CCSC/C=C\CC 62a_100000730704_100103147603 [0,2,0,0,0,0|1,0,1]=4 4110 B10R0.4 C=C(C)CCSC/C=C\CC 62a_100103147603_100000730704 [0,2,0,0,0,0|1,0,1]=4 4111 B10R0.4 C=C(C)COCC/C=C\CC 34a_100000210245_100015370543 [0,2,0,0,0,0|1,0,1]=4 4112 B10R0.4 C=C(C)COCC/C=C\CC 34a_100016288707_100000748629 [0,2,0,0,0,0|1,0,1]=4 4113 B10R0.4 C=C(C)COCC/C=C\CC 7a_100016288707_100000748629 [0,2,0,0,0,0|1,0,1]=4 4114 B10R0.4 C=C(C)CSCC/C=C\CC 62a_100000748629_100015370543 [0,2,0,0,0,0|1,0,1]=4 4115 B10R0.4 C=C(C)CSCC/C=C\CC 62a_100015370543_100000211660 [0,2,0,0,0,0|1,0,1]=4 4116 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,2,0,0,0,0|0,0,2]=4 4117 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,2,0,0,0,0|0,0,2]=4 4118 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,2,0,0,0,0|1,0,1]=4 4119 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,2,0,0,0,0|1,0,1]=4 4120 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,2,0,0,0,0|1,0,1]=4 4121 B10R0.4 CC(Br)CCOCC#CCO 34a_100009893172_200000047223 [0,2,0,0,0,0|0,0,2]=4 4122 B10R0.4 CC(Br)CCOCCCCO 34a_100009893172_100011216708 [0,2,0,0,0,0|0,0,2]=4 4123 B10R0.4 CC(Br)COCCCCCO 34a_100012180447_100000746330 [0,2,0,0,0,0|0,0,2]=4 4124 B10R0.4 CC(Br)COCCOCCO 34a_100012180447_100000692535 [0,2,0,0,0,0|1,0,1]=4 4125 B10R0.4 CC(C)CCCCNCCO 2230a_100016997473_100011216152 [0,2,0,0,0,0|0,0,2]=4 4126 B10R0.4 CC(C)CCCCNCCO 34a_100016990907_100011216152 [0,2,0,0,0,0|0,0,2]=4 4127 B10R0.4 CC(C)CCCCOCCO 34a_100011214890_100000211926 [0,2,0,0,0,0|0,0,2]=4 4128 B10R0.4 CC(C)CCCCOCCO 7a_100011214890_100000211926 [0,2,0,0,0,0|0,0,2]=4 4129 B10R0.4 CC(C)CCCCSCCO 62a_100000211926_100011216152 [0,2,0,0,0,0|0,0,2]=4 4130 B10R0.4 CC(C)CCCCSCCO 62a_100011216152_100000211926 [0,2,0,0,0,0|0,0,2]=4 4131 B10R0.4 CC(C)CCCNCCCO 2230a_200000737386_100000230001 [0,2,0,0,0,0|0,0,2]=4 4132 B10R0.4 CC(C)CCCNCCCO 34a_200000737386_100000230001 [0,2,0,0,0,0|0,0,2]=4 4133 B10R0.4 CC(C)CCCOCCCO 34a_100000210774_100000230001 [0,2,0,0,0,0|0,0,2]=4 4134 B10R0.4 CC(C)CCCOCCCO 7a_100000210774_100011215043 [0,2,0,0,0,0|0,0,2]=4 4135 B10R0.4 CC(C)CCCOCCON 34a_100000700252_100011214892 [0,2,0,0,0,0|1,0,1]=4 4136 B10R0.4 CC(C)CCCSCCCO 62a_100011214892_100011215043 [0,2,0,0,0,0|0,0,2]=4 4137 B10R0.4 CC(C)CCCSCCCO 62a_100011215043_100011214892 [0,2,0,0,0,0|0,0,2]=4 4138 B10R0.4 CC(C)CCNCCCCO 2230a_100000750430_100000210312 [0,2,0,0,0,0|0,0,2]=4 4139 B10R0.4 CC(C)CCNCCCCO 269862a_100000750430_100000185833 [0,2,0,0,0,0|0,0,2]=4 4140 B10R0.4 CC(C)CCNCCCCO 34a_100000750430_100000210312 [0,2,0,0,0,0|0,0,2]=4 4141 B10R0.4 CC(C)CCOCC#CCO 34a_100000210254_200000047223 [0,2,0,0,0,0|0,0,2]=4 4142 B10R0.4 CC(C)CCOCC#CCO 7a_100000210254_200000047223 [0,2,0,0,0,0|0,0,2]=4 4143 B10R0.4 CC(C)CCOCCCCO 34a_100000210254_100011216708 [0,2,0,0,0,0|0,0,2]=4 4144 B10R0.4 CC(C)CCOCCCCO 7a_100000210254_100000210776 [0,2,0,0,0,0|0,0,2]=4 4145 B10R0.4 CC(C)CCSCC#CCO 62a_100000210312_200000047223 [0,2,0,0,0,0|0,0,2]=4 4146 B10R0.4 CC(C)CCSCC#CCO 62a_200000047223_100000210312 [0,2,0,0,0,0|0,0,2]=4 4147 B10R0.4 CC(C)CCSCCCCO 62a_100000210312_100000210776 [0,2,0,0,0,0|0,0,2]=4 4148 B10R0.4 CC(C)CCSCCCCO 62a_100000210776_100000210312 [0,2,0,0,0,0|0,0,2]=4 4149 B10R0.4 CC(C)CNCCCCCO 2230a_100000210953_100000746330 [0,2,0,0,0,0|0,0,2]=4 4150 B10R0.4 CC(C)CNCCCCCO 2230a_100000762737_100000210760 [0,2,0,0,0,0|0,0,2]=4 4151 B10R0.4 CC(C)CNCCCCCO 270004a_100000762737_100000210432 [0,2,0,0,0,0|0,0,2]=4 4152 B10R0.4 CC(C)CNCCCCCO 34a_100000210953_100000746330 [0,2,0,0,0,0|0,0,2]=4 4153 B10R0.4 CC(C)CNCCCCCO 34a_100000762737_100000210624 [0,2,0,0,0,0|0,0,2]=4 4154 B10R0.4 CC(C)CNCCOCCO 2230a_100000210953_100011215305 [0,2,0,0,0,0|1,0,1]=4 4155 B10R0.4 CC(C)CNCCOCCO 2230a_100000211614_100000210760 [0,2,0,0,0,0|1,0,1]=4 4156 B10R0.4 CC(C)CNCCOCCO 270004a_100000211614_100000210432 [0,2,0,0,0,0|1,0,1]=4 4157 B10R0.4 CC(C)CNCCOCCO 34a_100000210953_100000692535 [0,2,0,0,0,0|1,0,1]=4 4158 B10R0.4 CC(C)CNCCOCCO 34a_100000211614_100000210624 [0,2,0,0,0,0|1,0,1]=4 4159 B10R0.4 CC(C)CNCCOCCO 34a_100015185251_100000211926 [0,2,0,0,0,0|1,0,1]=4 4160 B10R0.4 CC(C)CNCCSCCO 2230a_100011219999_100000210760 [0,2,0,0,0,0|1,0,1]=4 4161 B10R0.4 CC(C)CNCCSCCO 270004a_100011219999_100000210432 [0,2,0,0,0,0|1,0,1]=4 4162 B10R0.4 CC(C)COCCCCCO 34a_100000210257_100000746330 [0,2,0,0,0,0|0,0,2]=4 4163 B10R0.4 CC(C)COCCOCCO 34a_100000210257_100000692535 [0,2,0,0,0,0|1,0,1]=4 4164 B10R0.4 CC(C)COCCOCCO 34a_100000703358_100000211926 [0,2,0,0,0,0|1,0,1]=4 4165 B10R0.4 CC(C)COCCOCCO 7a_100000703358_100000211926 [0,2,0,0,0,0|1,0,1]=4 4166 B10R0.4 CC(C)CSCCCCCO 62a_100000210624_100000746330 [0,2,0,0,0,0|0,0,2]=4 4167 B10R0.4 CC(C)CSCCCCCO 62a_100000746330_100000210760 [0,2,0,0,0,0|0,0,2]=4 4168 B10R0.4 CC(C)CSCCOCCO 34a_200000230437_100000211926 [0,2,0,0,0,0|1,0,1]=4 4169 B10R0.4 CC(C)CSCCOCCO 62a_100000210624_100011215305 [0,2,0,0,0,0|1,0,1]=4 4170 B10R0.4 CC(C)CSCCOCCO 62a_100011215305_100000210760 [0,2,0,0,0,0|1,0,1]=4 4171 B10R0.4 CC(C)CSCCOCCO 7a_200000230437_100000211926 [0,2,0,0,0,0|1,0,1]=4 4172 B10R0.4 CC(C)NCCCCCCO 2230a_100000686447_100000210206 [0,2,0,0,0,0|0,0,2]=4 4173 B10R0.4 CC(C)NCCCCCCO 2230a_100138425928_100000766143 [0,2,0,0,0,0|0,0,2]=4 4174 B10R0.4 CC(C)NCCCCCCO 34a_100000686447_100000210206 [0,2,0,0,0,0|0,0,2]=4 4175 B10R0.4 CC(C)NCCCCCCO 34a_100138425928_100000766143 [0,2,0,0,0,0|0,0,2]=4 4176 B10R0.4 CC(C)NCCCOCCO 34a_100000182298_100000211926 [0,2,0,0,0,0|1,0,1]=4 4177 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [0,2,0,0,0,0|0,0,2]=4 4178 B10R0.4 CC(C)OCCCNCCO 2230a_100000737246_100000211926 [0,2,0,0,0,0|1,0,1]=4 4179 B10R0.4 CC(C)OCCCNCCO 34a_100000737246_100000211926 [0,2,0,0,0,0|1,0,1]=4 4180 B10R0.4 CC(C)SCCCCCCO 62a_100000210206_100000766143 [0,2,0,0,0,0|0,0,2]=4 4181 B10R0.4 CC(C)SCCCCCCO 62a_100000766143_100000210206 [0,2,0,0,0,0|0,0,2]=4 4182 B10R0.4 CC(F)COCCCCCO 34a_100015925927_100000746330 [0,2,0,0,0,0|0,0,2]=4 4183 B10R0.4 CC(F)COCCOCCO 34a_100015925927_100000692535 [0,2,0,0,0,0|1,0,1]=4 4184 B10R0.4 CC(O)CCCOCCON 34a_100000700252_200000718107 [0,2,0,0,0,0|1,0,1]=4 4185 B10R0.4 CC(O)CCCSCCCO 62a_100011215043_200000718107 [0,2,0,0,0,0|0,0,2]=4 4186 B10R0.4 CC(O)CCCSCCCO 62a_200000718107_100011215043 [0,2,0,0,0,0|0,0,2]=4 4187 B10R0.4 CC(O)CCNCC#CCO 2230a_200000755665_200000047223 [0,2,0,0,0,0|0,0,2]=4 4188 B10R0.4 CC(O)CCNCCCCO 2230a_100000750430_100012276601 [0,2,0,0,0,0|0,0,2]=4 4189 B10R0.4 CC(O)CCNCCCCO 2230a_200000755665_100000210776 [0,2,0,0,0,0|0,0,2]=4 4190 B10R0.4 CC(O)CCNCCCCO 34a_100000750430_100012276601 [0,2,0,0,0,0|0,0,2]=4 4191 B10R0.4 CC(O)CCSCC#CCO 62a_100012276601_200000047223 [0,2,0,0,0,0|0,0,2]=4 4192 B10R0.4 CC(O)CCSCC#CCO 62a_200000047223_100012276601 [0,2,0,0,0,0|0,0,2]=4 4193 B10R0.4 CC(O)CCSCCCCO 62a_100000210776_100012276601 [0,2,0,0,0,0|0,0,2]=4 4194 B10R0.4 CC(O)CCSCCCCO 62a_100012276601_100000210776 [0,2,0,0,0,0|0,0,2]=4 4195 B10R0.4 CC(O)CNCCCCCF 2230a_100000210904_100000729378 [0,2,0,0,0,0|1,0,1]=4 4196 B10R0.4 CC(O)CNCCCCCF 34a_100000210904_100000729378 [0,2,0,0,0,0|1,0,1]=4 4197 B10R0.4 CC(O)CNCCCCCO 2230a_100000210904_100000746330 [0,2,0,0,0,0|0,0,2]=4 4198 B10R0.4 CC(O)CNCCCCCO 2230a_100000762737_100011218427 [0,2,0,0,0,0|0,0,2]=4 4199 B10R0.4 CC(O)CNCCCCCO 34a_100000210904_100000746330 [0,2,0,0,0,0|0,0,2]=4 4200 B10R0.4 CC(O)CNCCCCCO 34a_100000762737_100011218427 [0,2,0,0,0,0|0,0,2]=4 4201 B10R0.4 CC(O)CNCCOCCO 2230a_100000210904_100011215305 [0,2,0,0,0,0|1,0,1]=4 4202 B10R0.4 CC(O)CNCCOCCO 2230a_100000211614_100011218427 [0,2,0,0,0,0|1,0,1]=4 4203 B10R0.4 CC(O)CNCCOCCO 34a_100000210904_100000692535 [0,2,0,0,0,0|1,0,1]=4 4204 B10R0.4 CC(O)CNCCOCCO 34a_100000211614_100011218427 [0,2,0,0,0,0|1,0,1]=4 4205 B10R0.4 CC(O)CNCCSCCO 2230a_100011219999_100011218427 [0,2,0,0,0,0|1,0,1]=4 4206 B10R0.4 CC(O)COCCCCCBr 34a_100000746331_100011218427 [0,2,0,0,0,0|1,0,1]=4 4207 B10R0.4 CC(O)COCCCCCBr 7a_100000746331_100011218427 [0,2,0,0,0,0|1,0,1]=4 4208 B10R0.4 CC(O)COCCCCCCl 34a_100000746330_100011218427 [0,2,0,0,0,0|1,0,1]=4 4209 B10R0.4 CC(O)COCCCCCCl 7a_100000746330_100011218427 [0,2,0,0,0,0|1,0,1]=4 4210 B10R0.4 CC(O)COCCCCCI 34a_200012148887_100011218427 [0,2,0,0,0,0|1,0,1]=4 4211 B10R0.4 CC(O)COCCCCCI 7a_200012148887_100011218427 [0,2,0,0,0,0|1,0,1]=4 4212 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [0,2,0,0,0,0|1,0,1]=4 4213 B10R0.4 CC(O)CSCCCCCF 62a_100000729378_100011218427 [0,2,0,0,0,0|1,0,1]=4 4214 B10R0.4 CC(O)CSCCCCCF 62a_100011218427_100000729378 [0,2,0,0,0,0|1,0,1]=4 4215 B10R0.4 CC(O)CSCCCCCO 62a_100000746330_100011218427 [0,2,0,0,0,0|0,0,2]=4 4216 B10R0.4 CC(O)CSCCCCCO 62a_100011218427_100000746330 [0,2,0,0,0,0|0,0,2]=4 4217 B10R0.4 CC(O)CSCCOCCO 62a_100011215305_100011218427 [0,2,0,0,0,0|1,0,1]=4 4218 B10R0.4 CC(O)CSCCOCCO 62a_100011218427_100011215305 [0,2,0,0,0,0|1,0,1]=4 4219 B10R0.4 CC/C=C/CCCOC(C)C 34a_100016287902_100000210206 [0,2,0,0,0,0|1,0,0]=3 4220 B10R0.4 CC/C=C/CCCOC(C)C 7a_100016287902_100000210206 [0,2,0,0,0,0|1,0,0]=3 4221 B10R0.4 CC/C=C\CCNCC(C)C 2230a_100000210953_100015370543 [0,2,0,0,0,0|1,0,0]=3 4222 B10R0.4 CC/C=C\CCNCC(C)C 34a_100000210953_100015370543 [0,2,0,0,0,0|1,0,0]=3 4223 B10R0.4 CC/C=C\CCNCC(C)O 2230a_100000210904_100015370543 [0,2,0,0,0,0|1,0,0]=3 4224 B10R0.4 CC/C=C\CCNCC(C)O 34a_100000210904_100015370543 [0,2,0,0,0,0|1,0,0]=3 4225 B10R0.4 CC/C=C\CCNCC(F)F 34a_100000765723_100015370543 [0,2,0,0,0,0|2,0,0]=4 4226 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [0,2,0,0,0,0|1,0,1]=4 4227 B10R0.4 CC/C=C\CCOCC(C)Br 34a_100012180447_100015370543 [0,2,0,0,0,0|1,0,0]=3 4228 B10R0.4 CC/C=C\CCOCC(C)C 34a_100000210257_100015370543 [0,2,0,0,0,0|1,0,0]=3 4229 B10R0.4 CC/C=C\CCOCC(C)C 34a_100016288707_100000210624 [0,2,0,0,0,0|1,0,0]=3 4230 B10R0.4 CC/C=C\CCOCC(C)C 7a_100016288707_100000210760 [0,2,0,0,0,0|1,0,0]=3 4231 B10R0.4 CC/C=C\CCOCC(C)F 34a_100015925927_100015370543 [0,2,0,0,0,0|1,0,0]=3 4232 B10R0.4 CC/C=C\CCOCC(C)O 34a_100016288707_100011218427 [0,2,0,0,0,0|1,0,0]=3 4233 B10R0.4 CC/C=C\CCOCC(C)O 7a_100016288707_100011218427 [0,2,0,0,0,0|1,0,0]=3 4234 B10R0.4 CC/C=C\CCOCC(F)F 34a_100000743014_100015370543 [0,2,0,0,0,0|2,0,0]=4 4235 B10R0.4 CC/C=C\CCOCC(F)F 34a_100016288707_100011934356 [0,2,0,0,0,0|2,0,0]=4 4236 B10R0.4 CC/C=C\CCOCC(F)F 7a_100016288707_100011934356 [0,2,0,0,0,0|2,0,0]=4 4237 B10R0.4 CC/C=C\CCOC[C@@H](C)Cl 34a_100016084084_100015370543 [0,2,0,0,0,0|1,0,0]=3 4238 B10R0.4 CC/C=C\CCOC[C@@H](C)N 34a_100000737577_100015370543 [0,2,0,0,0,0|1,0,0]=3 4239 B10R0.4 CC/C=C\CCOC[C@@H](C)O 34a_100016288707_100009817552 [0,2,0,0,0,0|1,0,0]=3 4240 B10R0.4 CC/C=C\CCOC[C@@H](C)O 7a_100016288707_100009817552 [0,2,0,0,0,0|1,0,0]=3 4241 B10R0.4 CC/C=C\CCSCC(C)C 62a_100000210624_100015370543 [0,2,0,0,0,0|1,0,0]=3 4242 B10R0.4 CC/C=C\CCSCC(C)C 62a_100015370543_100000210760 [0,2,0,0,0,0|1,0,0]=3 4243 B10R0.4 CC/C=C\CCSCC(C)O 62a_100011218427_100015370543 [0,2,0,0,0,0|1,0,0]=3 4244 B10R0.4 CC/C=C\CCSCC(C)O 62a_100015370543_100011218427 [0,2,0,0,0,0|1,0,0]=3 4245 B10R0.4 CC/C=C\CCSCC(F)F 62a_100011934356_100015370543 [0,2,0,0,0,0|2,0,0]=4 4246 B10R0.4 CC/C=C\CCSCC(F)F 62a_100015370543_100011934356 [0,2,0,0,0,0|2,0,0]=4 4247 B10R0.4 CC/C=C\CCSC[C@@H](C)O 62a_100009817552_100015370543 [0,2,0,0,0,0|1,0,0]=3 4248 B10R0.4 CC/C=C\CCSC[C@@H](C)O 62a_100015370543_100009817552 [0,2,0,0,0,0|1,0,0]=3 4249 B10R0.4 CC/C=C\CNCCC(C)O 2230a_200000755665_100103147603 [0,2,0,0,0,0|1,0,0]=3 4250 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [0,2,0,0,0,0|1,0,1]=4 4251 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [0,2,0,0,0,0|1,0,1]=4 4252 B10R0.4 CC/C=C\COCCC(C)Br 34a_100009893172_100103147603 [0,2,0,0,0,0|1,0,0]=3 4253 B10R0.4 CC/C=C\COCCC(C)C 34a_100000210254_100103147603 [0,2,0,0,0,0|1,0,0]=3 4254 B10R0.4 CC/C=C\COCCC(C)C 34a_100016268518_100000210312 [0,2,0,0,0,0|1,0,0]=3 4255 B10R0.4 CC/C=C\COCCC(C)C 7a_100000210254_100103147603 [0,2,0,0,0,0|1,0,0]=3 4256 B10R0.4 CC/C=C\COCCC(C)O 34a_100016268518_100012276601 [0,2,0,0,0,0|1,0,0]=3 4257 B10R0.4 CC/C=C\COCCC(F)F 34a_100103093639_100103147603 [0,2,0,0,0,0|2,0,0]=4 4258 B10R0.4 CC/C=C\COCC[C@@H](C)N 34a_100000706166_100103147603 [0,2,0,0,0,0|1,0,0]=3 4259 B10R0.4 CC/C=C\COCOC(C)C 34a_100016268518_100000709892 [0,2,0,0,0,0|2,0,0]=4 4260 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100000053229_100103147603 [0,2,0,0,0,0|1,0,1]=4 4261 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100103147603_100000053229 [0,2,0,0,0,0|1,0,1]=4 4262 B10R0.4 CC/C=C\CSCCC(C)C 62a_100000210312_100103147603 [0,2,0,0,0,0|1,0,0]=3 4263 B10R0.4 CC/C=C\CSCCC(C)C 62a_100103147603_100000210312 [0,2,0,0,0,0|1,0,0]=3 4264 B10R0.4 CC/C=C\CSCCC(C)O 62a_100012276601_100103147603 [0,2,0,0,0,0|1,0,0]=3 4265 B10R0.4 CC/C=C\CSCCC(C)O 62a_100103147603_100012276601 [0,2,0,0,0,0|1,0,0]=3 4266 B10R0.4 CC/C=C\CSCCN(C)C 62a_100103147603_100000755713 [0,2,0,0,0,0|2,0,0]=4 4267 B10R0.4 CC/C=C\CSCOC(C)C 62a_100000709892_100103147603 [0,2,0,0,0,0|2,0,0]=4 4268 B10R0.4 CC/C=C\CSCOC(C)C 62a_100103147603_100000709892 [0,2,0,0,0,0|2,0,0]=4 4269 B10R0.4 CCC/C=C/COCC(C)C 34a_100016278788_100000210624 [0,2,0,0,0,0|2,0,0]=4 4270 B10R0.4 CCC/C=C/COCC(C)C 7a_100016278788_100000210760 [0,2,0,0,0,0|2,0,0]=4 4271 B10R0.4 CCC/C=C/COCC(C)O 34a_100016278788_100011218427 [0,2,0,0,0,0|2,0,0]=4 4272 B10R0.4 CCC/C=C/COCC(C)O 7a_100016278788_100011218427 [0,2,0,0,0,0|2,0,0]=4 4273 B10R0.4 CCC/C=C/COC[C@@H](C)O 34a_100016278788_100009817552 [0,2,0,0,0,0|2,0,0]=4 4274 B10R0.4 CCC/C=C/COC[C@@H](C)O 7a_100016278788_100009817552 [0,2,0,0,0,0|2,0,0]=4 4275 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,2,0,0,0,0|0,0,1]=3 4276 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,2,0,0,0,0|0,0,1]=3 4277 B10R0.4 CCCCCC=NNC(C)C 4a_100000741168_100000737632 [0,2,0,0,0,0|2,0,0]=4 4278 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,2,0,0,0,0|0,0,2]=4 4279 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,2,0,0,0,0|0,0,2]=4 4280 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,2,0,0,0,0|1,0,1]=4 4281 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [0,2,0,0,0,0|0,0,2]=4 4282 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [0,2,0,0,0,0|0,0,2]=4 4283 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [0,2,0,0,0,0|0,0,2]=4 4284 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [0,2,0,0,0,0|0,0,2]=4 4285 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [0,2,0,0,0,0|0,0,2]=4 4286 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [0,2,0,0,0,0|0,0,2]=4 4287 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [0,2,0,0,0,0|0,0,2]=4 4288 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [0,2,0,0,0,0|0,0,2]=4 4289 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [0,2,0,0,0,0|0,0,2]=4 4290 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [0,2,0,0,0,0|0,0,2]=4 4291 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [0,2,0,0,0,0|0,0,2]=4 4292 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [0,2,0,0,0,0|0,0,2]=4 4293 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [0,2,0,0,0,0|0,0,2]=4 4294 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [0,2,0,0,0,0|0,0,2]=4 4295 B10R0.4 CCCCCNN=CC(C)C 4a_100000694160_100000210432 [0,2,0,0,0,0|2,0,0]=4 4296 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,2,0,0,0,0|2,0,0]=4 4297 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [0,2,0,0,0,0|0,0,2]=4 4298 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [0,2,0,0,0,0|0,0,2]=4 4299 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [0,2,0,0,0,0|0,0,2]=4 4300 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [0,2,0,0,0,0|0,0,2]=4 4301 B10R0.4 CCCCNC/C=C/B(O)O 2230a_100000102301_100016262062 [0,2,0,0,0,0|1,0,0]=3 4302 B10R0.4 CCCCNC/C=C/B(O)O 7a_106832991798_100016262062 [0,2,0,0,0,0|1,0,0]=3 4303 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [0,2,0,0,0,0|0,0,2]=4 4304 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [0,2,0,0,0,0|0,0,2]=4 4305 B10R0.4 CCCCOC/C=C/B(O)O 34a_100000210227_100016262062 [0,2,0,0,0,0|1,0,0]=3 4306 B10R0.4 CCCCOC/C=C/B(O)O 7a_100000210227_100016262062 [0,2,0,0,0,0|1,0,0]=3 4307 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [0,2,0,0,0,0|0,0,2]=4 4308 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [0,2,0,0,0,0|0,0,2]=4 4309 B10R0.4 CCCCOCNCC(C)O 2230a_100000210904_100011995733 [0,2,0,0,0,0|1,0,1]=4 4310 B10R0.4 CCCCOCNCC(C)O 34a_100000210904_100011995733 [0,2,0,0,0,0|1,0,1]=4 4311 B10R0.4 CCCCOCSCC(C)O 62a_100011218427_100011995733 [0,2,0,0,0,0|1,0,1]=4 4312 B10R0.4 CCCCOCSCC(C)O 62a_100011995733_100011218427 [0,2,0,0,0,0|1,0,1]=4 4313 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100009817552_100011995733 [0,2,0,0,0,0|1,0,1]=4 4314 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100011995733_100009817552 [0,2,0,0,0,0|1,0,1]=4 4315 B10R0.4 CCCCSC/C=C/B(O)O 62a_100000210211_100016262062 [0,2,0,0,0,0|1,0,0]=3 4316 B10R0.4 CCCCSC/C=C/B(O)O 62a_100016262062_100000210210 [0,2,0,0,0,0|1,0,0]=3 4317 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [0,2,0,0,0,0|0,0,2]=4 4318 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [0,2,0,0,0,0|0,0,2]=4 4319 B10R0.4 CCCOCCNCC(C)O 2230a_100000210904_100011215938 [0,2,0,0,0,0|1,0,1]=4 4320 B10R0.4 CCCOCCNCC(C)O 2230a_100161115042_100011218427 [0,2,0,0,0,0|1,0,1]=4 4321 B10R0.4 CCCOCCNCC(C)O 34a_100000210904_100011215938 [0,2,0,0,0,0|1,0,1]=4 4322 B10R0.4 CCCOCCNCC(C)O 34a_100161115042_100011218427 [0,2,0,0,0,0|1,0,1]=4 4323 B10R0.4 CCCOCCNC[C@@H](C)O 2230a_100161115042_100009817552 [0,2,0,0,0,0|1,0,1]=4 4324 B10R0.4 CCCOCCNC[C@@H](C)O 34a_100161115042_100009817552 [0,2,0,0,0,0|1,0,1]=4 4325 B10R0.4 CCCOCCOCC(C)O 34a_100000752267_100011218427 [0,2,0,0,0,0|1,0,1]=4 4326 B10R0.4 CCCOCCOCC(C)O 7a_100000752267_100011218427 [0,2,0,0,0,0|1,0,1]=4 4327 B10R0.4 CCCOCCOC[C@@H](C)O 34a_100000752267_100009817552 [0,2,0,0,0,0|1,0,1]=4 4328 B10R0.4 CCCOCCOC[C@@H](C)O 7a_100000752267_100009817552 [0,2,0,0,0,0|1,0,1]=4 4329 B10R0.4 CCCOCCSCC(C)O 62a_100011215938_100011218427 [0,2,0,0,0,0|1,0,1]=4 4330 B10R0.4 CCCOCCSCC(C)O 62a_100011218427_100011215938 [0,2,0,0,0,0|1,0,1]=4 4331 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100009817552_100011215938 [0,2,0,0,0,0|1,0,1]=4 4332 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100011215938_100009817552 [0,2,0,0,0,0|1,0,1]=4 4333 B10R0.4 CCCSCCNCC(C)O 2230a_100020603323_100011218427 [0,2,0,0,0,0|1,0,1]=4 4334 B10R0.4 CCCSCCNC[C@@H](C)O 2230a_100020603323_100009817552 [0,2,0,0,0,0|1,0,1]=4 4335 B10R0.4 CCCSCCOCC(C)O 34a_200000230433_100011218427 [0,2,0,0,0,0|1,0,1]=4 4336 B10R0.4 CCCSCCOCC(C)O 7a_200000230433_100011218427 [0,2,0,0,0,0|1,0,1]=4 4337 B10R0.4 CCCSCCOC[C@@H](C)O 34a_200000230433_100009817552 [0,2,0,0,0,0|1,0,1]=4 4338 B10R0.4 CCCSCCOC[C@@H](C)O 7a_200000230433_100009817552 [0,2,0,0,0,0|1,0,1]=4 4339 B10R0.4 CCNCCC/C=C/B(O)O 2230a_100015525214_200016261450 [0,2,0,0,0,0|1,0,0]=3 4340 B10R0.4 CCOCCC/C=C/B(O)O 34a_100121572206_200016261450 [0,2,0,0,0,0|1,0,0]=3 4341 B10R0.4 CCOCCCNCC(C)O 2230a_100000210904_100012232248 [0,2,0,0,0,0|1,0,1]=4 4342 B10R0.4 CCOCCCNCC(C)O 2230a_100000210961_100011218427 [0,2,0,0,0,0|1,0,1]=4 4343 B10R0.4 CCOCCCNCC(C)O 34a_100000210904_100012232248 [0,2,0,0,0,0|1,0,1]=4 4344 B10R0.4 CCOCCCNCC(C)O 34a_100000210961_100011218427 [0,2,0,0,0,0|1,0,1]=4 4345 B10R0.4 CCOCCCNC[C@@H](C)O 2230a_100000210961_100009817552 [0,2,0,0,0,0|1,0,1]=4 4346 B10R0.4 CCOCCCNC[C@@H](C)O 34a_100000210961_100009817552 [0,2,0,0,0,0|1,0,1]=4 4347 B10R0.4 CCOCCCOCC(C)O 34a_100000757476_100011218427 [0,2,0,0,0,0|1,0,1]=4 4348 B10R0.4 CCOCCCOCC(C)O 7a_100000757476_100011218427 [0,2,0,0,0,0|1,0,1]=4 4349 B10R0.4 CCOCCCOC[C@@H](C)O 34a_100000757476_100009817552 [0,2,0,0,0,0|1,0,1]=4 4350 B10R0.4 CCOCCCOC[C@@H](C)O 7a_100000757476_100009817552 [0,2,0,0,0,0|1,0,1]=4 4351 B10R0.4 CCOCCCSCC(C)O 62a_100011218427_100012232248 [0,2,0,0,0,0|1,0,1]=4 4352 B10R0.4 CCOCCCSCC(C)O 62a_100012232248_100011218427 [0,2,0,0,0,0|1,0,1]=4 4353 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100009817552_100012232248 [0,2,0,0,0,0|1,0,1]=4 4354 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100012232248_100009817552 [0,2,0,0,0,0|1,0,1]=4 4355 B10R0.4 CCOCSC/C=C/B(O)O 62a_100000739092_100016262062 [0,2,0,0,0,0|2,0,0]=4 4356 B10R0.4 CCOCSC/C=C/B(O)O 62a_100016262062_100000739092 [0,2,0,0,0,0|2,0,0]=4 4357 B10R0.4 CCSCCC/C=C/B(O)O 62a_100000210202_200016261450 [0,2,0,0,0,0|1,0,0]=3 4358 B10R0.4 CCSCCC/C=C/B(O)O 62a_200016261450_100000210202 [0,2,0,0,0,0|1,0,0]=3 4359 B10R0.4 CCSCCCOCC(C)O 34a_100011216438_100011218427 [0,2,0,0,0,0|1,0,1]=4 4360 B10R0.4 CCSCCCOCC(C)O 7a_100011216438_100011218427 [0,2,0,0,0,0|1,0,1]=4 4361 B10R0.4 CCSCCCOC[C@@H](C)O 34a_100011216438_100009817552 [0,2,0,0,0,0|1,0,1]=4 4362 B10R0.4 CCSCCCOC[C@@H](C)O 7a_100011216438_100009817552 [0,2,0,0,0,0|1,0,1]=4 4363 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [0,2,0,0,0,0|0,0,2]=4 4364 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [0,2,0,0,0,0|0,0,2]=4 4365 B10R0.4 CN(C)CCCCSCCO 62a_100000211926_100000690147 [0,2,0,0,0,0|1,0,1]=4 4366 B10R0.4 COCCCCNCC(C)O 2230a_100000210904_100000730899 [0,2,0,0,0,0|1,0,1]=4 4367 B10R0.4 COCCCCNCC(C)O 34a_100000210904_100000755781 [0,2,0,0,0,0|1,0,1]=4 4368 B10R0.4 COCCCCOCC(C)O 34a_100000740925_100011218427 [0,2,0,0,0,0|1,0,1]=4 4369 B10R0.4 COCCCCOC[C@@H](C)O 34a_100000740925_100009817552 [0,2,0,0,0,0|1,0,1]=4 4370 B10R0.4 COCCCCSCC(C)O 62a_100000730899_100011218427 [0,2,0,0,0,0|1,0,1]=4 4371 B10R0.4 COCCCCSCC(C)O 62a_100011218427_100000730899 [0,2,0,0,0,0|1,0,1]=4 4372 B10R0.4 COCCCCSC[C@@H](C)O 62a_100000730899_100009817552 [0,2,0,0,0,0|1,0,1]=4 4373 B10R0.4 COCCCCSC[C@@H](C)O 62a_100009817552_100000730899 [0,2,0,0,0,0|1,0,1]=4 4374 B10R0.4 COCCNC/C=C/B(O)O 2230a_100000209980_100016262062 [0,2,0,0,0,0|2,0,0]=4 4375 B10R0.4 COCCNCCCC(C)C 2230a_100000209980_100011214892 [0,2,0,0,0,0|1,0,1]=4 4376 B10R0.4 COCCNCCCC(C)C 2230a_200000737386_100011201679 [0,2,0,0,0,0|1,0,1]=4 4377 B10R0.4 COCCNCCCC(C)C 34a_200000737386_100011201679 [0,2,0,0,0,0|1,0,1]=4 4378 B10R0.4 COCCNCCCC(C)O 2230a_100000209980_200000718107 [0,2,0,0,0,0|1,0,1]=4 4379 B10R0.4 COCCOC/C=C/B(O)O 34a_100000210237_100016262062 [0,2,0,0,0,0|2,0,0]=4 4380 B10R0.4 COCCOCCCC(C)C 34a_100000210237_100011214892 [0,2,0,0,0,0|1,0,1]=4 4381 B10R0.4 COCCOCCCC(C)C 34a_100000210774_100011201679 [0,2,0,0,0,0|1,0,1]=4 4382 B10R0.4 COCCOCCCC(C)C 7a_100000210774_100000233755 [0,2,0,0,0,0|1,0,1]=4 4383 B10R0.4 COCCOCCCC(C)O 34a_100000210237_200000718107 [0,2,0,0,0,0|1,0,1]=4 4384 B10R0.4 COCCSC/C=C/B(O)O 62a_100000233755_100016262062 [0,2,0,0,0,0|2,0,0]=4 4385 B10R0.4 COCCSC/C=C/B(O)O 62a_100016262062_100000233755 [0,2,0,0,0,0|2,0,0]=4 4386 B10R0.4 COCCSCCCC(C)C 62a_100000233755_100011214892 [0,2,0,0,0,0|1,0,1]=4 4387 B10R0.4 COCCSCCCC(C)C 62a_100011214892_100000233755 [0,2,0,0,0,0|1,0,1]=4 4388 B10R0.4 COCCSCCCC(C)O 62a_100000233755_200000718107 [0,2,0,0,0,0|1,0,1]=4 4389 B10R0.4 COCCSCCCC(C)O 62a_200000718107_100000233755 [0,2,0,0,0,0|1,0,1]=4 4390 B10R0.4 COCSCCCCC(C)C 62a_100000766300_100011216152 [0,2,0,0,0,0|1,0,1]=4 4391 B10R0.4 COCSCCCCC(C)C 62a_100011216152_100000766300 [0,2,0,0,0,0|1,0,1]=4 4392 B10R0.4 CSCCCCOCC(C)O 34a_100011217163_100011218427 [0,2,0,0,0,0|1,0,1]=4 4393 B10R0.4 CSCCCCOCC(C)O 7a_100011217163_100011218427 [0,2,0,0,0,0|1,0,1]=4 4394 B10R0.4 CSCCCCOC[C@@H](C)O 34a_100011217163_100009817552 [0,2,0,0,0,0|1,0,1]=4 4395 B10R0.4 CSCCCCOC[C@@H](C)O 7a_100011217163_100009817552 [0,2,0,0,0,0|1,0,1]=4 4396 B10R0.4 CSCCNC/C=C/B(O)O 2230a_100020590264_100016262062 [0,2,0,0,0,0|2,0,0]=4 4397 B10R0.4 CSCCOC/C=C/B(O)O 34a_100000230434_100016262062 [0,2,0,0,0,0|2,0,0]=4 4398 B10R0.4 CSCCOC/C=C/B(O)O 7a_100000230434_100016262062 [0,2,0,0,0,0|2,0,0]=4 4399 B10R0.4 CSCCSC/C=C/B(O)O 62a_100000212216_100016262062 [0,2,0,0,0,0|2,0,0]=4 4400 B10R0.4 CSCCSC/C=C/B(O)O 62a_100016262062_100000751147 [0,2,0,0,0,0|2,0,0]=4 4401 B10R0.4 C[C@@H](Cl)COCCCCCO 34a_100016084084_100000746330 [0,2,0,0,0,0|0,0,2]=4 4402 B10R0.4 C[C@@H](Cl)COCCOCCO 34a_100016084084_100000692535 [0,2,0,0,0,0|1,0,1]=4 4403 B10R0.4 C[C@@H](N)CCOCC#CCO 34a_100000706166_200000047223 [0,2,0,0,0,0|0,0,2]=4 4404 B10R0.4 C[C@@H](N)CCOCCCCO 34a_100000706166_100011216708 [0,2,0,0,0,0|0,0,2]=4 4405 B10R0.4 C[C@@H](N)COCCCCCO 34a_100000737577_100000746330 [0,2,0,0,0,0|0,0,2]=4 4406 B10R0.4 C[C@@H](N)COCCOCCO 34a_100000737577_100000692535 [0,2,0,0,0,0|1,0,1]=4 4407 B10R0.4 C[C@@H](O)CNCCCCCO 2230a_100000762737_100009817552 [0,2,0,0,0,0|0,0,2]=4 4408 B10R0.4 C[C@@H](O)CNCCCCCO 34a_100000762737_100009817552 [0,2,0,0,0,0|0,0,2]=4 4409 B10R0.4 C[C@@H](O)CNCCOCCO 2230a_100000211614_100009817552 [0,2,0,0,0,0|1,0,1]=4 4410 B10R0.4 C[C@@H](O)CNCCOCCO 34a_100000211614_100009817552 [0,2,0,0,0,0|1,0,1]=4 4411 B10R0.4 C[C@@H](O)CNCCSCCO 2230a_100011219999_100009817552 [0,2,0,0,0,0|1,0,1]=4 4412 B10R0.4 C[C@@H](O)COCCCCCBr 34a_100000746331_100009817552 [0,2,0,0,0,0|1,0,1]=4 4413 B10R0.4 C[C@@H](O)COCCCCCBr 7a_100000746331_100009817552 [0,2,0,0,0,0|1,0,1]=4 4414 B10R0.4 C[C@@H](O)COCCCCCCl 34a_100000746330_100009817552 [0,2,0,0,0,0|1,0,1]=4 4415 B10R0.4 C[C@@H](O)COCCCCCCl 7a_100000746330_100009817552 [0,2,0,0,0,0|1,0,1]=4 4416 B10R0.4 C[C@@H](O)COCCCCCI 34a_200012148887_100009817552 [0,2,0,0,0,0|1,0,1]=4 4417 B10R0.4 C[C@@H](O)COCCCCCI 7a_200012148887_100009817552 [0,2,0,0,0,0|1,0,1]=4 4418 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [0,2,0,0,0,0|1,0,1]=4 4419 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100000729378_100009817552 [0,2,0,0,0,0|1,0,1]=4 4420 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100009817552_100000729378 [0,2,0,0,0,0|1,0,1]=4 4421 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100000746330_100009817552 [0,2,0,0,0,0|0,0,2]=4 4422 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100009817552_100000746330 [0,2,0,0,0,0|0,0,2]=4 4423 B10R0.4 C[C@@H](O)CSCCOCCO 62a_100009817552_100011215305 [0,2,0,0,0,0|1,0,1]=4 4424 B10R0.4 C[C@@H](O)CSCCOCCO 62a_100011215305_100009817552 [0,2,0,0,0,0|1,0,1]=4 4425 B10R0.4 NCCCOC/C=C/B(O)O 34a_100000182051_100016262062 [0,2,0,0,0,0|2,0,0]=4 4426 B10R0.4 OB(O)/C=C/CCCSCF 62a_100015361967_200016261450 [0,2,0,0,0,0|2,0,0]=4 4427 B10R0.4 OB(O)/C=C/CCCSCF 62a_200016261450_100015361967 [0,2,0,0,0,0|2,0,0]=4 4428 B10R0.4 OB(O)/C=C/CNCCCF 2230a_100015189416_100016262062 [0,2,0,0,0,0|2,0,0]=4 4429 B10R0.4 OB(O)/C=C/CNCCCF 34a_100015189416_100016262062 [0,2,0,0,0,0|2,0,0]=4 4430 B10R0.4 OB(O)/C=C/COCCCBr 34a_100011217188_100016262062 [0,2,0,0,0,0|2,0,0]=4 4431 B10R0.4 OB(O)/C=C/COCCCCl 34a_100000230001_100016262062 [0,2,0,0,0,0|2,0,0]=4 4432 B10R0.4 OB(O)/C=C/COCCCF 34a_100000759539_100016262062 [0,2,0,0,0,0|2,0,0]=4 4433 B10R0.4 OB(O)/C=C/CSCCCF 62a_100011934791_100016262062 [0,2,0,0,0,0|2,0,0]=4 4434 B10R0.4 OB(O)/C=C/CSCCCF 62a_100016262062_100011934791 [0,2,0,0,0,0|2,0,0]=4 4435 B10R0.4 OCCCSC/C=C/B(O)O 62a_100011215043_100016262062 [0,2,0,0,0,0|2,0,0]=4 4436 B10R0.4 OCCCSC/C=C/B(O)O 62a_100016262062_100011215043 [0,2,0,0,0,0|2,0,0]=4 4437 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,2,0,0,0,0|0,0,2]=4 4438 B10R0.6 CC(C)C[C@H](N)COCCO 34a_100011830311_100000211926 [0,2,0,0,0,0|1,0,1]=4 4439 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [0,2,0,0,0,0|1,0,1]=4 4440 B10R0.6 CC/C=C/CC(=O)CC(C)C 1458a_100016274230_100000210624 [0,2,0,0,0,0|1,0,1]=4 4441 B10R0.6 CC/C=C/CC(=O)CC(C)O 1458a_100016274230_100011218427 [0,2,0,0,0,0|1,0,1]=4 4442 B10R0.6 CC/C=C\CC(=O)CC(C)C 1458a_100000210554_100103147603 [0,2,0,0,0,0|1,0,1]=4 4443 B10R0.6 CC/C=C\CC(=O)C[C@@H](C)O 1458a_100011933948_100103147603 [0,2,0,0,0,0|1,0,1]=4 4444 B10R0.6 CC/C=C\CN(C)CC(C)C 2230a_100000747067_100103147603 [0,2,0,0,0,0|2,0,0]=4 4445 B10R0.6 CC/C=C\CN(C)CC(C)C 269982a_100000747067_100103147603 [0,2,0,0,0,0|2,0,0]=4 4446 B10R0.6 CC/C=C\CN(C)CC(C)O 2230a_100000227577_100103147603 [0,2,0,0,0,0|2,0,0]=4 4447 B10R0.6 CC/C=C\CN(C)CC(C)O 269982a_100000227577_100103147603 [0,2,0,0,0,0|2,0,0]=4 4448 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [0,2,0,0,0,0|1,0,1]=4 4449 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [0,2,0,0,0,0|1,0,1]=4 4450 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [0,2,0,0,0,0|1,0,1]=4 4451 B10R0.6 CCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210326 [0,2,0,0,0,0|1,0,1]=4 4452 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,2,0,0,0,0|1,0,1]=4 4453 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,2,0,0,0,0|1,0,1]=4 4454 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,2,0,0,0,0|0,0,1]=3 4455 B10R0.6 CCCCCC(=O)CC(F)F 1458a_100000212188_100011934356 [0,2,0,0,0,0|1,0,1]=4 4456 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,2,0,0,0,0|0,0,1]=3 4457 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [0,2,0,0,0,0|2,0,0]=4 4458 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [0,2,0,0,0,0|2,0,0]=4 4459 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [0,2,0,0,0,0|2,0,0]=4 4460 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [0,2,0,0,0,0|2,0,0]=4 4461 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000223495_100011218427 [0,2,0,0,0,0|1,0,1]=4 4462 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000227577_100000210326 [0,2,0,0,0,0|1,0,1]=4 4463 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000223495_100011218427 [0,2,0,0,0,0|1,0,1]=4 4464 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000227577_100000210215 [0,2,0,0,0,0|1,0,1]=4 4465 B10R0.6 CCCCCN(C)C[C@@H](C)O 2230a_100000223495_100009817552 [0,2,0,0,0,0|1,0,1]=4 4466 B10R0.6 CCCCCN(C)C[C@@H](C)O 269982a_100000223495_100009817552 [0,2,0,0,0,0|1,0,1]=4 4467 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [0,2,0,0,0,0|1,0,1]=4 4468 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [0,2,0,0,0,0|1,0,1]=4 4469 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [0,2,0,0,0,0|1,0,1]=4 4470 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [0,2,0,0,0,0|1,0,1]=4 4471 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [0,2,0,0,0,0|1,0,1]=4 4472 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [0,2,0,0,0,0|1,0,1]=4 4473 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [0,2,0,0,0,0|1,0,1]=4 4474 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [0,2,0,0,0,0|1,0,1]=4 4475 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [0,2,0,0,0,0|1,0,1]=4 4476 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [0,2,0,0,0,0|1,0,1]=4 4477 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [0,2,0,0,0,0|1,0,1]=4 4478 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [0,2,0,0,0,0|1,0,1]=4 4479 B10R0.22 CC(C)(O)CCCNCCO 2230a_100016997473_100009888830 [0,2,0,0,0,0|1,0,1]=4 4480 B10R0.22 CC(C)(O)CCCNCCO 34a_100016990907_100009888830 [0,2,0,0,0,0|1,0,1]=4 4481 B10R0.22 CC(C)(O)CCCSCCO 62a_100000211926_100009888830 [0,2,0,0,0,0|1,0,1]=4 4482 B10R0.22 CC(C)(O)CCCSCCO 62a_100009888830_100000211926 [0,2,0,0,0,0|1,0,1]=4 4483 B10R0.22 CC/C=C\CCNC(C)(C)C 2230a_100000715429_100015370543 [0,2,0,0,0,0|2,0,0]=4 4484 B10R0.22 CC/C=C\CCOC(C)(C)C 34a_100015890283_100015370543 [0,2,0,0,0,0|2,0,0]=4 4485 B10R0.22 CC/C=C\CCOC(C)(C)C 34a_100016288707_100000210625 [0,2,0,0,0,0|2,0,0]=4 4486 B10R0.22 CC/C=C\CCOC(C)(C)C 7a_100015890283_100015370543 [0,2,0,0,0,0|2,0,0]=4 4487 B10R0.22 CC/C=C\CCSC(C)(C)C 62a_100000211941_100015370543 [0,2,0,0,0,0|2,0,0]=4 4488 B10R0.22 CC/C=C\CCSC(C)(C)C 62a_100015370543_100000211941 [0,2,0,0,0,0|2,0,0]=4 4489 B10R0.22 CC/C=C\CNCC(C)(C)C 2230a_100000743828_100103147603 [0,2,0,0,0,0|2,0,0]=4 4490 B10R0.22 CC/C=C\CNCC(C)(C)F 2230a_100020643315_100103147603 [0,2,0,0,0,0|2,0,0]=4 4491 B10R0.22 CC/C=C\CNCC(C)(C)O 2230a_100000751335_100103147603 [0,2,0,0,0,0|2,0,0]=4 4492 B10R0.22 CC/C=C\COCC(C)(C)C 34a_100016268518_100011219605 [0,2,0,0,0,0|2,0,0]=4 4493 B10R0.22 CC/C=C\COCC(C)(C)F 34a_100000716592_100103147603 [0,2,0,0,0,0|2,0,0]=4 4494 B10R0.22 CC/C=C\COCC(C)(C)F 34a_100016268518_100011997219 [0,2,0,0,0,0|2,0,0]=4 4495 B10R0.22 CC/C=C\COCC(C)(C)O 34a_100016268518_100000764493 [0,2,0,0,0,0|2,0,0]=4 4496 B10R0.22 CC/C=C\COCC(C)(F)F 34a_100000068830_100103147603 [0,2,0,0,0,0|2,0,0]=4 4497 B10R0.22 CC/C=C\CSCC(C)(C)C 62a_100011219605_100103147603 [0,2,0,0,0,0|2,0,0]=4 4498 B10R0.22 CC/C=C\CSCC(C)(C)C 62a_100103147603_100011219605 [0,2,0,0,0,0|2,0,0]=4 4499 B10R0.22 CC/C=C\CSCC(C)(C)F 62a_100011997219_100103147603 [0,2,0,0,0,0|2,0,0]=4 4500 B10R0.22 CC/C=C\CSCC(C)(C)F 62a_100103147603_100011997219 [0,2,0,0,0,0|2,0,0]=4 4501 B10R0.22 CC/C=C\CSCC(C)(C)O 62a_100000764493_100103147603 [0,2,0,0,0,0|2,0,0]=4 4502 B10R0.22 CC/C=C\CSCC(C)(C)O 62a_100103147603_100000764493 [0,2,0,0,0,0|2,0,0]=4 4503 B10R0.22 CCCCCNCC(C)(C)O 2230a_100000751335_100000210326 [0,2,0,0,0,0|1,0,1]=4 4504 B10R0.22 CCCCCOCC(C)(C)O 34a_100000210253_100000764493 [0,2,0,0,0,0|1,0,1]=4 4505 B10R0.22 CCCCCOCC(C)(C)O 7a_100000210253_100000764493 [0,2,0,0,0,0|1,0,1]=4 4506 B10R0.22 CCCCCSCC(C)(C)O 62a_100000210326_100000764493 [0,2,0,0,0,0|1,0,1]=4 4507 B10R0.22 CCCCCSCC(C)(C)O 62a_100000764493_100000210326 [0,2,0,0,0,0|1,0,1]=4 4508 B10R0.22 CCCOCC=CC(F)(F)F 34a_100000001234_100000210303 [0,2,0,0,0,0|2,0,0]=4 4509 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,2,0,0,0,0|0,0,2]=4 4510 B10R0.55 CC(C)CCCCC(=O)CF 1458a_100011933920_100015361967 [0,2,0,0,0,0|1,0,1]=4 4511 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [0,2,0,0,0,0|0,0,1]=3 4512 B10R0.55 CC(C)CCCNC(=O)CO 240690a_200000737386_100000210174 [0,2,0,0,0,0|1,0,0]=3 4513 B10R0.55 CC(C)CCCNC(=O)CO 527a_200000737386_100000210174 [0,2,0,0,0,0|1,0,0]=3 4514 B10R0.55 CC(C)CCCNC(C)CO 2230a_200000737386_100012180447 [0,2,0,0,0,0|1,0,1]=4 4515 B10R0.55 CC(C)CCCNC(C)CO 34a_200000737386_100012180447 [0,2,0,0,0,0|1,0,1]=4 4516 B10R0.55 CC(C)CCCN[C@H](C)CO 2230a_100000737577_100011214892 [0,2,0,0,0,0|1,0,1]=4 4517 B10R0.55 CC(C)CCCOC(C)CO 34a_100000210774_100012180447 [0,2,0,0,0,0|1,0,1]=4 4518 B10R0.55 CC(C)CCCOC(C)CO 7a_100000210774_100012180447 [0,2,0,0,0,0|1,0,1]=4 4519 B10R0.55 CC(C)CCCSC(C)CO 62a_100012180447_100011214892 [0,2,0,0,0,0|1,0,1]=4 4520 B10R0.55 CC(C)CCCS[C@H](C)CO 62a_100011214892_100016084084 [0,2,0,0,0,0|1,0,1]=4 4521 B10R0.55 CC(C)CCCS[C@H](C)CO 62a_100016084084_100011214892 [0,2,0,0,0,0|1,0,1]=4 4522 B10R0.55 CC(C)OCCNC(=O)CO 240690a_100000701111_100000210174 [0,2,0,0,0,0|2,0,0]=4 4523 B10R0.55 CC(C)OCCNC(=O)CO 527a_100000701111_100000210174 [0,2,0,0,0,0|2,0,0]=4 4524 B10R0.55 CC(C)SCCNC(=O)CO 240690a_100000731138_100000210174 [0,2,0,0,0,0|2,0,0]=4 4525 B10R0.55 CC(C)SCCNC(=O)CO 527a_100000731138_100000210174 [0,2,0,0,0,0|2,0,0]=4 4526 B10R0.55 CC(O)CCCN[C@H](C)CO 2230a_100000737577_200000718107 [0,2,0,0,0,0|1,0,1]=4 4527 B10R0.55 CC(O)CCCSC(C)CO 62a_100012180447_200000718107 [0,2,0,0,0,0|1,0,1]=4 4528 B10R0.55 CC(O)CCCS[C@H](C)CO 62a_100016084084_200000718107 [0,2,0,0,0,0|1,0,1]=4 4529 B10R0.55 CC(O)CCCS[C@H](C)CO 62a_200000718107_100016084084 [0,2,0,0,0,0|1,0,1]=4 4530 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [0,2,0,0,0,0|1,0,1]=4 4531 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [0,2,0,0,0,0|1,0,1]=4 4532 B10R0.55 CCC(=O)NCCCC(C)C 11a_200000737386_100000210414 [0,2,0,0,0,0|2,0,0]=4 4533 B10R0.55 CCC(=O)NCCCC(C)C 1626a_200000737386_100000210414 [0,2,0,0,0,0|2,0,0]=4 4534 B10R0.55 CCC(=O)NCCCC(C)C 240690a_200000737386_100000210414 [0,2,0,0,0,0|2,0,0]=4 4535 B10R0.55 CCC(=O)NCCCC(C)C 527a_200000737386_100000210414 [0,2,0,0,0,0|2,0,0]=4 4536 B10R0.55 CCC(C)CCNCC(C)O 2230a_100020591266_100011218427 [0,2,0,0,0,0|1,0,1]=4 4537 B10R0.55 CCC(C)CCNC[C@@H](C)O 2230a_100020591266_100009817552 [0,2,0,0,0,0|1,0,1]=4 4538 B10R0.55 CCC(C)CCOCC(C)O 7a_100011215188_100011218427 [0,2,0,0,0,0|1,0,1]=4 4539 B10R0.55 CCC(C)CCOC[C@@H](C)O 7a_100011215188_100009817552 [0,2,0,0,0,0|1,0,1]=4 4540 B10R0.55 CCC(C)NC/C=C/B(O)O 2230a_100000209981_100016262062 [0,2,0,0,0,0|2,0,0]=4 4541 B10R0.55 CCC(C)OC/C=C/B(O)O 7a_100000210228_100016262062 [0,2,0,0,0,0|2,0,0]=4 4542 B10R0.55 CCC(C)SC/C=C/B(O)O 62a_100000758301_100016262062 [0,2,0,0,0,0|2,0,0]=4 4543 B10R0.55 CCC(C)SC/C=C/B(O)O 62a_100016262062_100000758301 [0,2,0,0,0,0|2,0,0]=4 4544 B10R0.55 CN(C)CCCNC(=O)CO 240690a_102531767803_100000210174 [0,2,0,0,0,0|2,0,0]=4 4545 B10R0.55 CN(C)CCCNC(=O)CO 527a_102531767803_100000210174 [0,2,0,0,0,0|2,0,0]=4 4546 B10R0.55 CS(=O)CCCNC(=O)CO 240690a_200000753449_100000210174 [0,2,0,0,0,0|2,0,0]=4 4547 B10R0.55 CS(=O)CCCNC(=O)CO 527a_200000753449_100000210174 [0,2,0,0,0,0|2,0,0]=4 4548 B10R0.74 C#C/C(=C\COCCCC)/C 34a_100016990848_100000210210 [0,2,0,0,0,0|1,0,1]=4 4549 B10R0.74 C#CC(C)NCC/C=C\CC 2230a_100000707721_100015370543 [0,2,0,0,0,0|2,0,0]=4 4550 B10R0.74 C#CC(C)NCC/C=C\CC 34a_100000707721_100015370543 [0,2,0,0,0,0|2,0,0]=4 4551 B10R0.74 C#CC(C)OCC/C=C\CC 34a_100016288707_200000035995 [0,2,0,0,0,0|2,0,0]=4 4552 B10R0.74 C#CC(C)SCC/C=C\CC 62a_200000035995_100015370543 [0,2,0,0,0,0|2,0,0]=4 4553 B10R0.74 C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [0,2,0,0,0,0|0,0,2]=4 4554 B10R0.74 C#CCCCCNC(=O)CO 240690a_100000706060_100000210174 [0,2,0,0,0,0|1,0,1]=4 4555 B10R0.74 C#CCCCCNC(=O)CO 527a_100000706060_100000210174 [0,2,0,0,0,0|1,0,1]=4 4556 B10R0.74 C#C[C@@H](C)OCC/C=C\CC 34a_100009815206_100015370543 [0,2,0,0,0,0|2,0,0]=4 4557 B10R0.74 C#C[C@@H](C)OCC/C=C\CC 7a_100009815206_100015370543 [0,2,0,0,0,0|2,0,0]=4 4558 B10R0.74 C=CC(C)COC/C=C\CC 34a_100011215527_100103147603 [0,2,0,0,0,0|2,0,0]=4 4559 B10R0.74 C=CC(C)COC/C=C\CC 7a_100011215527_100103147603 [0,2,0,0,0,0|2,0,0]=4 4560 B10R0.74 C=CC(C)OCC/C=C\CC 34a_100000695699_100015370543 [0,2,0,0,0,0|2,0,0]=4 4561 B10R0.74 C=CC(C)SCC/C=C\CC 62a_100011215867_100015370543 [0,2,0,0,0,0|2,0,0]=4 4562 B10R0.74 C=CC(O)CNCCCCC 2230a_100000209983_100000730141 [0,2,0,0,0,0|1,0,1]=4 4563 B10R0.74 C=CC(O)COCCCCC 34a_100000210253_100000730141 [0,2,0,0,0,0|1,0,1]=4 4564 B10R0.74 C=CC(O)COCCCCC 7a_100000210253_100000730141 [0,2,0,0,0,0|1,0,1]=4 4565 B10R0.74 C=CC(O)CSCCCCC 62a_100000210326_100000730141 [0,2,0,0,0,0|1,0,1]=4 4566 B10R0.74 C=CC(O)CSCCCCC 62a_100000730141_100000210326 [0,2,0,0,0,0|1,0,1]=4 4567 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [0,2,0,0,0,0|0,0,2]=4 4568 B10R0.74 C=CCCCCNC(=O)CO 240690a_100000703577_100000210174 [0,2,0,0,0,0|1,0,1]=4 4569 B10R0.74 C=CCCCCNC(=O)CO 527a_100000703577_100000210174 [0,2,0,0,0,0|1,0,1]=4 4570 B10R0.74 CC(CO)NCCCCCO 2230a_100000762737_100012180447 [0,2,0,0,0,0|1,0,1]=4 4571 B10R0.74 CC(CO)NCCCCCO 34a_100000762737_100012180447 [0,2,0,0,0,0|1,0,1]=4 4572 B10R0.74 CC(CO)OCCCCCBr 34a_100000746331_100012180447 [0,2,0,0,0,0|1,0,1]=4 4573 B10R0.74 CC(CO)OCCCCCBr 7a_100000746331_100012180447 [0,2,0,0,0,0|1,0,1]=4 4574 B10R0.74 CC(CO)OCCCCCCl 34a_100000746330_100012180447 [0,2,0,0,0,0|1,0,1]=4 4575 B10R0.74 CC(CO)OCCCCCCl 7a_100000746330_100012180447 [0,2,0,0,0,0|1,0,1]=4 4576 B10R0.74 CC(CO)OCCCCCI 34a_200012148887_100012180447 [0,2,0,0,0,0|1,0,1]=4 4577 B10R0.74 CC(CO)OCCCCCI 7a_200012148887_100012180447 [0,2,0,0,0,0|1,0,1]=4 4578 B10R0.74 CC(CO)OCCCCCN 34a_100000762737_100012180447 [0,2,0,0,0,0|1,0,1]=4 4579 B10R0.74 CC(CO)SCCCCCF 62a_100012180447_100000729378 [0,2,0,0,0,0|1,0,1]=4 4580 B10R0.74 CC(CO)SCCCCCO 62a_100012180447_100000746330 [0,2,0,0,0,0|1,0,1]=4 4581 B10R0.74 CC/C=C\CCNC(C)C#N 2230a_100000737613_100015370543 [0,2,0,0,0,0|2,0,0]=4 4582 B10R0.74 CC/C=C\CCNC(C)CC 2230a_100000209981_100015370543 [0,2,0,0,0,0|1,0,0]=3 4583 B10R0.74 CC/C=C\CCN[C@H](C)CO 2230a_100000737577_100015370543 [0,2,0,0,0,0|2,0,0]=4 4584 B10R0.74 CC/C=C\CCOC(C)C#N 34a_100011218135_100015370543 [0,2,0,0,0,0|2,0,0]=4 4585 B10R0.74 CC/C=C\CCOC(C)C#N 7a_100016288707_100000703298 [0,2,0,0,0,0|2,0,0]=4 4586 B10R0.74 CC/C=C\CCOC(C)CC 34a_100016288707_100011215416 [0,2,0,0,0,0|1,0,0]=3 4587 B10R0.74 CC/C=C\CCOC(C)CC 7a_100000210228_100015370543 [0,2,0,0,0,0|1,0,0]=3 4588 B10R0.74 CC/C=C\CCOC(C)CC 7a_100016288707_100000758301 [0,2,0,0,0,0|1,0,0]=3 4589 B10R0.74 CC/C=C\CCOC(C)CF 34a_100016041109_100015370543 [0,2,0,0,0,0|2,0,0]=4 4590 B10R0.74 CC/C=C\CCOC(C)CF 7a_100016041109_100015370543 [0,2,0,0,0,0|2,0,0]=4 4591 B10R0.74 CC/C=C\CCOC(C)CN 34a_100000210904_100015370543 [0,2,0,0,0,0|2,0,0]=4 4592 B10R0.74 CC/C=C\CCOC(C)CO 34a_100016288707_100012180447 [0,2,0,0,0,0|2,0,0]=4 4593 B10R0.74 CC/C=C\CCOC(C)CO 7a_100016288707_100012180447 [0,2,0,0,0,0|2,0,0]=4 4594 B10R0.74 CC/C=C\CCSC(C)C#N 62a_100000703298_100015370543 [0,2,0,0,0,0|2,0,0]=4 4595 B10R0.74 CC/C=C\CCSC(C)C#N 62a_100015370543_100000703298 [0,2,0,0,0,0|2,0,0]=4 4596 B10R0.74 CC/C=C\CCSC(C)CC 62a_100000758301_100015370543 [0,2,0,0,0,0|1,0,0]=3 4597 B10R0.74 CC/C=C\CCSC(C)CC 62a_100015370543_100000758301 [0,2,0,0,0,0|1,0,0]=3 4598 B10R0.74 CC/C=C\CCSC(C)CO 62a_100012180447_100015370543 [0,2,0,0,0,0|2,0,0]=4 4599 B10R0.74 CC/C=C\CCSC(C)OC 62a_100009879195_100015370543 [0,2,0,0,0,0|2,0,0]=4 4600 B10R0.74 CC/C=C\CCSC(C)OC 62a_100015370543_100009879195 [0,2,0,0,0,0|2,0,0]=4 4601 B10R0.74 CC/C=C\CCS[C@H](C)CO 62a_100015370543_100016084084 [0,2,0,0,0,0|2,0,0]=4 4602 B10R0.74 CC/C=C\CCS[C@H](C)CO 62a_100016084084_100015370543 [0,2,0,0,0,0|2,0,0]=4 4603 B10R0.74 CC/C=C\CNCC(C)CC 2230a_100020588543_100103147603 [0,2,0,0,0,0|1,0,0]=3 4604 B10R0.74 CC/C=C\CNCC(C)CO 34a_100000744482_100103147603 [0,2,0,0,0,0|2,0,0]=4 4605 B10R0.74 CC/C=C\CNCC(O)CC 2230a_100011218483_100103147603 [0,2,0,0,0,0|1,0,0]=3 4606 B10R0.74 CC/C=C\CNC[C@@H](C)OC 2230a_100020591295_100103147603 [0,2,0,0,0,0|2,0,0]=4 4607 B10R0.74 CC/C=C\CNC[C@@H](F)CO 34a_100015665980_100103147603 [0,2,0,0,0,0|2,0,0]=4 4608 B10R0.74 CC/C=C\CNC[C@H](O)CO 2230a_100020644852_100103147603 [0,2,0,0,0,0|2,0,0]=4 4609 B10R0.74 CC/C=C\COCC(=O)CC 34a_100000725409_100103147603 [0,2,0,0,0,0|1,0,1]=4 4610 B10R0.74 CC/C=C\COCC(C)CC 34a_100016268518_100000748023 [0,2,0,0,0,0|1,0,0]=3 4611 B10R0.74 CC/C=C\COCC(C)CN 34a_100000744482_100103147603 [0,2,0,0,0,0|2,0,0]=4 4612 B10R0.74 CC/C=C\COCC(C)OC 34a_100000690652_100103147603 [0,2,0,0,0,0|2,0,0]=4 4613 B10R0.74 CC/C=C\COCC(Cl)CCl 34a_100000033668_100103147603 [0,2,0,0,0,0|2,0,0]=4 4614 B10R0.74 CC/C=C\COCC(O)CC 34a_100016268518_100011218378 [0,2,0,0,0,0|1,0,0]=3 4615 B10R0.74 CC/C=C\COCC(O)CO 34a_100016268518_100011219619 [0,2,0,0,0,0|2,0,0]=4 4616 B10R0.74 CC/C=C\COC[C@@H](C)CC 34a_100016268518_100009816398 [0,2,0,0,0,0|1,0,0]=3 4617 B10R0.74 CC/C=C\COC[C@@H](C)CC 7a_100009816381_100103147603 [0,2,0,0,0,0|1,0,0]=3 4618 B10R0.74 CC/C=C\COC[C@@H](C)CO 34a_100016268518_100000059175 [0,2,0,0,0,0|2,0,0]=4 4619 B10R0.74 CC/C=C\COC[C@@H](O)CF 34a_100016268518_100015614560 [0,2,0,0,0,0|2,0,0]=4 4620 B10R0.74 CC/C=C\COC[C@@H](O)CO 34a_100016268518_100009815848 [0,2,0,0,0,0|2,0,0]=4 4621 B10R0.74 CC/C=C\COC[C@H](F)CN 34a_100015665980_100103147603 [0,2,0,0,0,0|2,0,0]=4 4622 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100000747405_100103147603 [0,2,0,0,0,0|1,0,1]=4 4623 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100103147603_100000747405 [0,2,0,0,0,0|1,0,1]=4 4624 B10R0.74 CC/C=C\CSCC(C)CC 62a_100000748023_100103147603 [0,2,0,0,0,0|1,0,0]=3 4625 B10R0.74 CC/C=C\CSCC(C)CC 62a_100103147603_100000748023 [0,2,0,0,0,0|1,0,0]=3 4626 B10R0.74 CC/C=C\CSCC(O)CC 62a_100011218378_100103147603 [0,2,0,0,0,0|1,0,0]=3 4627 B10R0.74 CC/C=C\CSCC(O)CC 62a_100103147603_100011218378 [0,2,0,0,0,0|1,0,0]=3 4628 B10R0.74 CC/C=C\CSCC(O)CO 62a_100011219619_100103147603 [0,2,0,0,0,0|2,0,0]=4 4629 B10R0.74 CC/C=C\CSCC(O)CO 62a_100103147603_100011219619 [0,2,0,0,0,0|2,0,0]=4 4630 B10R0.74 CC/C=C\CSC[C@@H](C)CC 62a_100009816398_100103147603 [0,2,0,0,0,0|1,0,0]=3 4631 B10R0.74 CC/C=C\CSC[C@@H](C)CC 62a_100103147603_100009816398 [0,2,0,0,0,0|1,0,0]=3 4632 B10R0.74 CC/C=C\CSC[C@@H](C)CO 62a_100000059175_100103147603 [0,2,0,0,0,0|2,0,0]=4 4633 B10R0.74 CC/C=C\CSC[C@@H](C)CO 62a_100103147603_100000059175 [0,2,0,0,0,0|2,0,0]=4 4634 B10R0.74 CC/C=C\CSC[C@@H](O)CF 62a_100015614560_100103147603 [0,2,0,0,0,0|2,0,0]=4 4635 B10R0.74 CC/C=C\CSC[C@@H](O)CF 62a_100103147603_100015614560 [0,2,0,0,0,0|2,0,0]=4 4636 B10R0.74 CC/C=C\CSC[C@@H](O)CO 62a_100009815848_100103147603 [0,2,0,0,0,0|2,0,0]=4 4637 B10R0.74 CC/C=C\CSC[C@@H](O)CO 62a_100103147603_100009815848 [0,2,0,0,0,0|2,0,0]=4 4638 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,2,0,0,0,0|1,0,1]=4 4639 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,2,0,0,0,0|0,0,2]=4 4640 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,2,0,0,0,0|0,0,2]=4 4641 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,2,0,0,0,0|1,0,1]=4 4642 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,2,0,0,0,0|2,0,0]=4 4643 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [0,2,0,0,0,0|0,0,2]=4 4644 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [0,2,0,0,0,0|0,0,2]=4 4645 B10R0.74 CCC(C)CCCOCCO 7a_100011216074_100000211926 [0,2,0,0,0,0|0,0,2]=4 4646 B10R0.74 CCC(C)CCNCCCO 2230a_100020591266_100000230001 [0,2,0,0,0,0|0,0,2]=4 4647 B10R0.74 CCC(C)CCNCCOC 2230a_100020591266_100011201679 [0,2,0,0,0,0|1,0,1]=4 4648 B10R0.74 CCC(C)CCOCCCO 7a_100011215188_100011215043 [0,2,0,0,0,0|0,0,2]=4 4649 B10R0.74 CCC(C)CCOCCOC 7a_100011215188_100000233755 [0,2,0,0,0,0|1,0,1]=4 4650 B10R0.74 CCC(C)CNCC#CCO 2230a_100020588543_200000047223 [0,2,0,0,0,0|0,0,2]=4 4651 B10R0.74 CCC(C)CNCCCCO 2230a_100000750430_100000748023 [0,2,0,0,0,0|0,0,2]=4 4652 B10R0.74 CCC(C)CNCCCCO 2230a_100020588543_100000210776 [0,2,0,0,0,0|0,0,2]=4 4653 B10R0.74 CCC(C)CNCCCCO 270004a_100000750430_100000243153 [0,2,0,0,0,0|0,0,2]=4 4654 B10R0.74 CCC(C)CNCCCCO 34a_100000750430_100000748023 [0,2,0,0,0,0|0,0,2]=4 4655 B10R0.74 CCC(C)CSCC#CCO 62a_100000748023_200000047223 [0,2,0,0,0,0|0,0,2]=4 4656 B10R0.74 CCC(C)CSCC#CCO 62a_200000047223_100000748023 [0,2,0,0,0,0|0,0,2]=4 4657 B10R0.74 CCC(C)CSCCCCO 62a_100000210776_100000748023 [0,2,0,0,0,0|0,0,2]=4 4658 B10R0.74 CCC(C)CSCCCCO 62a_100000748023_100000210776 [0,2,0,0,0,0|0,0,2]=4 4659 B10R0.74 CCC(C)NCCCCCO 2230a_100000209981_100000746330 [0,2,0,0,0,0|0,0,2]=4 4660 B10R0.74 CCC(C)NCCCCCO 2230a_100000762737_100000758301 [0,2,0,0,0,0|0,0,2]=4 4661 B10R0.74 CCC(C)NCCCCCO 34a_100000762737_100011215416 [0,2,0,0,0,0|0,0,2]=4 4662 B10R0.74 CCC(C)NCCOCCO 2230a_100000209981_100011215305 [0,2,0,0,0,0|1,0,1]=4 4663 B10R0.74 CCC(C)NCCOCCO 2230a_100000211614_100000758301 [0,2,0,0,0,0|1,0,1]=4 4664 B10R0.74 CCC(C)NCCOCCO 34a_100000211614_100011215416 [0,2,0,0,0,0|1,0,1]=4 4665 B10R0.74 CCC(C)NCCSCCO 2230a_100011219999_100000758301 [0,2,0,0,0,0|1,0,1]=4 4666 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [0,2,0,0,0,0|0,0,2]=4 4667 B10R0.74 CCC(C)OCCOCCO 7a_100000210228_100011215305 [0,2,0,0,0,0|1,0,1]=4 4668 B10R0.74 CCC(C)SCCCCCO 62a_100000746330_100000758301 [0,2,0,0,0,0|0,0,2]=4 4669 B10R0.74 CCC(C)SCCCCCO 62a_100000758301_100000746330 [0,2,0,0,0,0|0,0,2]=4 4670 B10R0.74 CCC(C)SCCOCCO 62a_100000758301_100011215305 [0,2,0,0,0,0|1,0,1]=4 4671 B10R0.74 CCC(C)SCCOCCO 62a_100011215305_100000758301 [0,2,0,0,0,0|1,0,1]=4 4672 B10R0.74 CCC(O)CNCC#CCO 2230a_100011218483_200000047223 [0,2,0,0,0,0|0,0,2]=4 4673 B10R0.74 CCC(O)CNCCCCO 2230a_100000750430_100011218378 [0,2,0,0,0,0|0,0,2]=4 4674 B10R0.74 CCC(O)CNCCCCO 2230a_100011218483_100000210776 [0,2,0,0,0,0|0,0,2]=4 4675 B10R0.74 CCC(O)CNCCCCO 34a_100000750430_100011218378 [0,2,0,0,0,0|0,0,2]=4 4676 B10R0.74 CCC(O)CSCC#CCO 62a_100011218378_200000047223 [0,2,0,0,0,0|0,0,2]=4 4677 B10R0.74 CCC(O)CSCC#CCO 62a_200000047223_100011218378 [0,2,0,0,0,0|0,0,2]=4 4678 B10R0.74 CCC(O)CSCCCCO 62a_100000210776_100011218378 [0,2,0,0,0,0|0,0,2]=4 4679 B10R0.74 CCC(O)CSCCCCO 62a_100011218378_100000210776 [0,2,0,0,0,0|0,0,2]=4 4680 B10R0.74 CCC/C=C/COC(C)CC 34a_100016278788_100011215416 [0,2,0,0,0,0|2,0,0]=4 4681 B10R0.74 CCC/C=C/COC(C)CC 7a_100016278788_100000758301 [0,2,0,0,0,0|2,0,0]=4 4682 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [0,2,0,0,0,0|1,0,1]=4 4683 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [0,2,0,0,0,0|1,0,1]=4 4684 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,2,0,0,0,0|1,0,1]=4 4685 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [0,2,0,0,0,0|1,0,1]=4 4686 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,2,0,0,0,0|1,0,0]=3 4687 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [0,2,0,0,0,0|1,0,0]=3 4688 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [0,2,0,0,0,0|0,0,2]=4 4689 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [0,2,0,0,0,0|0,0,2]=4 4690 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [0,2,0,0,0,0|0,0,2]=4 4691 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,2,0,0,0,0|1,0,1]=4 4692 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,2,0,0,0,0|1,0,1]=4 4693 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,2,0,0,0,0|1,0,1]=4 4694 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,2,0,0,0,0|0,0,1]=3 4695 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,2,0,0,0,0|0,0,2]=4 4696 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,2,0,0,0,0|0,0,2]=4 4697 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,2,0,0,0,0|0,0,2]=4 4698 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,2,0,0,0,0|0,0,2]=4 4699 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,2,0,0,0,0|0,0,2]=4 4700 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,2,0,0,0,0|1,0,1]=4 4701 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,2,0,0,0,0|1,0,1]=4 4702 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,2,0,0,0,0|1,0,1]=4 4703 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,2,0,0,0,0|1,0,1]=4 4704 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,2,0,0,0,0|0,0,1]=3 4705 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,2,0,0,0,0|0,0,1]=3 4706 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [0,2,0,0,0,0|0,0,2]=4 4707 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [0,2,0,0,0,0|0,0,2]=4 4708 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [0,2,0,0,0,0|0,0,2]=4 4709 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [0,2,0,0,0,0|0,0,2]=4 4710 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [0,2,0,0,0,0|0,0,2]=4 4711 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [0,2,0,0,0,0|1,0,1]=4 4712 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [0,2,0,0,0,0|1,0,1]=4 4713 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [0,2,0,0,0,0|0,0,2]=4 4714 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [0,2,0,0,0,0|0,0,2]=4 4715 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [0,2,0,0,0,0|0,0,2]=4 4716 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [0,2,0,0,0,0|1,0,1]=4 4717 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [0,2,0,0,0,0|1,0,1]=4 4718 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [0,2,0,0,0,0|0,0,2]=4 4719 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [0,2,0,0,0,0|0,0,2]=4 4720 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [0,2,0,0,0,0|1,0,1]=4 4721 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [0,2,0,0,0,0|0,0,2]=4 4722 B10R0.74 CCCCCNC[C@@H](O)CF 2230a_100000209983_100015614560 [0,2,0,0,0,0|1,0,1]=4 4723 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [0,2,0,0,0,0|0,0,2]=4 4724 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [0,2,0,0,0,0|0,0,2]=4 4725 B10R0.74 CCCCCNN=C(C)CF 4a_100000694160_100000039719 [0,2,0,0,0,0|2,0,0]=4 4726 B10R0.74 CCCCCNN=C(C)CO 4a_100000694160_100000211253 [0,2,0,0,0,0|1,0,0]=3 4727 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,2,0,0,0,0|2,0,0]=4 4728 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,2,0,0,0,0|1,0,0]=3 4729 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,2,0,0,0,0|1,0,1]=4 4730 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,2,0,0,0,0|1,0,1]=4 4731 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [0,2,0,0,0,0|1,0,1]=4 4732 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [0,2,0,0,0,0|1,0,1]=4 4733 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [0,2,0,0,0,0|1,0,1]=4 4734 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [0,2,0,0,0,0|0,0,2]=4 4735 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [0,2,0,0,0,0|0,0,2]=4 4736 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [0,2,0,0,0,0|0,0,2]=4 4737 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [0,2,0,0,0,0|0,0,2]=4 4738 B10R0.74 CCCCCOC[C@@H](O)CF 34a_100000210253_100015614560 [0,2,0,0,0,0|1,0,1]=4 4739 B10R0.74 CCCCCOC[C@@H](O)CF 7a_100000210253_100015614560 [0,2,0,0,0,0|1,0,1]=4 4740 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [0,2,0,0,0,0|0,0,2]=4 4741 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [0,2,0,0,0,0|0,0,2]=4 4742 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,2,0,0,0,0|1,0,1]=4 4743 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,2,0,0,0,0|1,0,1]=4 4744 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [0,2,0,0,0,0|1,0,1]=4 4745 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [0,2,0,0,0,0|1,0,1]=4 4746 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [0,2,0,0,0,0|0,0,2]=4 4747 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [0,2,0,0,0,0|0,0,2]=4 4748 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [0,2,0,0,0,0|0,0,2]=4 4749 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [0,2,0,0,0,0|0,0,2]=4 4750 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100000210326_100015614560 [0,2,0,0,0,0|1,0,1]=4 4751 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100015614560_100000210326 [0,2,0,0,0,0|1,0,1]=4 4752 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [0,2,0,0,0,0|0,0,2]=4 4753 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [0,2,0,0,0,0|0,0,2]=4 4754 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [0,2,0,0,0,0|0,0,2]=4 4755 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [0,2,0,0,0,0|0,0,2]=4 4756 B10R0.74 CCCCNN=CC(O)CO 4a_100025702795_100000033539 [0,2,0,0,0,0|1,0,1]=4 4757 B10R0.74 CCCCOCCC(=NO)N 34a_100000749954_100000210210 [0,2,0,0,0,0|1,0,1]=4 4758 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,2,0,0,0,0|1,0,1]=4 4759 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,2,0,0,0,0|0,0,1]=3 4760 B10R0.74 CCCCOCN[C@H](C)CO 2230a_100000737577_100011995733 [0,2,0,0,0,0|1,0,1]=4 4761 B10R0.74 CCCCOCSC(C)CO 62a_100012180447_100011995733 [0,2,0,0,0,0|1,0,1]=4 4762 B10R0.74 CCCCOCS[C@H](C)CO 62a_100011995733_100016084084 [0,2,0,0,0,0|1,0,1]=4 4763 B10R0.74 CCCCOCS[C@H](C)CO 62a_100016084084_100011995733 [0,2,0,0,0,0|1,0,1]=4 4764 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,2,0,0,0,0|2,0,0]=4 4765 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [0,2,0,0,0,0|1,0,1]=4 4766 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,2,0,0,0,0|2,0,0]=4 4767 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,2,0,0,0,0|2,0,0]=4 4768 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,2,0,0,0,0|2,0,0]=4 4769 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,2,0,0,0,0|2,0,0]=4 4770 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,2,0,0,0,0|2,0,0]=4 4771 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,2,0,0,0,0|1,0,0]=3 4772 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,2,0,0,0,0|1,0,0]=3 4773 B10R0.74 CCCOCCNC(C)CO 2230a_100161115042_100012180447 [0,2,0,0,0,0|1,0,1]=4 4774 B10R0.74 CCCOCCNC(C)CO 34a_100161115042_100012180447 [0,2,0,0,0,0|1,0,1]=4 4775 B10R0.74 CCCOCCN[C@H](C)CO 2230a_100000737577_100011215938 [0,2,0,0,0,0|1,0,1]=4 4776 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,2,0,0,0,0|2,0,0]=4 4777 B10R0.74 CCCOCCOC(C)CO 34a_100000752267_100012180447 [0,2,0,0,0,0|1,0,1]=4 4778 B10R0.74 CCCOCCOC(C)CO 7a_100000752267_100012180447 [0,2,0,0,0,0|1,0,1]=4 4779 B10R0.74 CCCOCCSC(C)CO 62a_100012180447_100011215938 [0,2,0,0,0,0|1,0,1]=4 4780 B10R0.74 CCCOCCS[C@H](C)CO 62a_100011215938_100016084084 [0,2,0,0,0,0|1,0,1]=4 4781 B10R0.74 CCCOCCS[C@H](C)CO 62a_100016084084_100011215938 [0,2,0,0,0,0|1,0,1]=4 4782 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000210303_100000742655 [0,2,0,0,0,0|1,0,1]=4 4783 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000742655_100000210303 [0,2,0,0,0,0|1,0,1]=4 4784 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,2,0,0,0,0|2,0,0]=4 4785 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,2,0,0,0,0|2,0,0]=4 4786 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,2,0,0,0,0|2,0,0]=4 4787 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,2,0,0,0,0|1,0,0]=3 4788 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,2,0,0,0,0|1,0,0]=3 4789 B10R0.74 CCCSCCNC(C)CO 2230a_100020603323_100012180447 [0,2,0,0,0,0|1,0,1]=4 4790 B10R0.74 CCCSCCOC(C)CO 34a_200000230433_100012180447 [0,2,0,0,0,0|1,0,1]=4 4791 B10R0.74 CCCSCCOC(C)CO 7a_200000230433_100012180447 [0,2,0,0,0,0|1,0,1]=4 4792 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [0,2,0,0,0,0|0,0,2]=4 4793 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [0,2,0,0,0,0|0,0,2]=4 4794 B10R0.74 CCN(C)CCCNCCO 2230a_100016997473_100015186262 [0,2,0,0,0,0|1,0,1]=4 4795 B10R0.74 CCN(C)CCCSCCO 62a_100000211926_100015186262 [0,2,0,0,0,0|1,0,1]=4 4796 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,2,0,0,0,0|2,0,0]=4 4797 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,2,0,0,0,0|2,0,0]=4 4798 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,2,0,0,0,0|2,0,0]=4 4799 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,2,0,0,0,0|2,0,0]=4 4800 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,2,0,0,0,0|1,0,0]=3 4801 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,2,0,0,0,0|1,0,0]=3 4802 B10R0.74 CCOCCCNC(C)CO 2230a_100000210961_100012180447 [0,2,0,0,0,0|1,0,1]=4 4803 B10R0.74 CCOCCCNC(C)CO 34a_100000210961_100012180447 [0,2,0,0,0,0|1,0,1]=4 4804 B10R0.74 CCOCCCN[C@H](C)CO 2230a_100000737577_100012232248 [0,2,0,0,0,0|1,0,1]=4 4805 B10R0.74 CCOCCCOC(C)CO 34a_100000757476_100012180447 [0,2,0,0,0,0|1,0,1]=4 4806 B10R0.74 CCOCCCOC(C)CO 7a_100000757476_100012180447 [0,2,0,0,0,0|1,0,1]=4 4807 B10R0.74 CCOCCCSC(C)CO 62a_100012180447_100012232248 [0,2,0,0,0,0|1,0,1]=4 4808 B10R0.74 CCOCCCS[C@H](C)CO 62a_100012232248_100016084084 [0,2,0,0,0,0|1,0,1]=4 4809 B10R0.74 CCOCCCS[C@H](C)CO 62a_100016084084_100012232248 [0,2,0,0,0,0|1,0,1]=4 4810 B10R0.74 CCOCCNN=C(C)CO 4a_100000732670_100000211253 [0,2,0,0,0,0|2,0,0]=4 4811 B10R0.74 CCOCCNNC(=O)CO 22a_100000732670_100000210174 [0,2,0,0,0,0|2,0,0]=4 4812 B10R0.74 CCSCCCOC(C)CO 34a_100011216438_100012180447 [0,2,0,0,0,0|1,0,1]=4 4813 B10R0.74 CCSCCCOC(C)CO 7a_100011216438_100012180447 [0,2,0,0,0,0|1,0,1]=4 4814 B10R0.74 CC[C@H](C)CNCCCCO 2230a_100000750430_100009816398 [0,2,0,0,0,0|0,0,2]=4 4815 B10R0.74 CC[C@H](C)CNCCCCO 34a_100000750430_100009816398 [0,2,0,0,0,0|0,0,2]=4 4816 B10R0.74 CC[C@H](C)COCC#CCO 7a_100009816381_200000047223 [0,2,0,0,0,0|0,0,2]=4 4817 B10R0.74 CC[C@H](C)COCCCCO 7a_100009816381_100000210776 [0,2,0,0,0,0|0,0,2]=4 4818 B10R0.74 CC[C@H](C)CSCC#CCO 62a_100009816398_200000047223 [0,2,0,0,0,0|0,0,2]=4 4819 B10R0.74 CC[C@H](C)CSCC#CCO 62a_200000047223_100009816398 [0,2,0,0,0,0|0,0,2]=4 4820 B10R0.74 CC[C@H](C)CSCCCCO 62a_100000210776_100009816398 [0,2,0,0,0,0|0,0,2]=4 4821 B10R0.74 CC[C@H](C)CSCCCCO 62a_100009816398_100000210776 [0,2,0,0,0,0|0,0,2]=4 4822 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,2,0,0,0,0|1,0,1]=4 4823 B10R0.74 COCCCCN[C@H](C)CO 2230a_100000737577_100000730899 [0,2,0,0,0,0|1,0,1]=4 4824 B10R0.74 COCCCCOC(C)CO 34a_100000740925_100012180447 [0,2,0,0,0,0|1,0,1]=4 4825 B10R0.74 COCCCCSC(C)CO 62a_100012180447_100000730899 [0,2,0,0,0,0|1,0,1]=4 4826 B10R0.74 COCCCCS[C@H](C)CO 62a_100000730899_100016084084 [0,2,0,0,0,0|1,0,1]=4 4827 B10R0.74 COCCCCS[C@H](C)CO 62a_100016084084_100000730899 [0,2,0,0,0,0|1,0,1]=4 4828 B10R0.74 COCCCNNC(=O)CO 22a_100025702787_100000210174 [0,2,0,0,0,0|2,0,0]=4 4829 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [0,2,0,0,0,0|1,0,1]=4 4830 B10R0.74 CSCCCCOC(C)CO 34a_100011217163_100012180447 [0,2,0,0,0,0|1,0,1]=4 4831 B10R0.74 CSCCCCOC(C)CO 7a_100011217163_100012180447 [0,2,0,0,0,0|1,0,1]=4 4832 B10R0.74 C[C@@H](CN)CCCOCCO 34a_100160569302_100000211926 [0,2,0,0,0,0|1,0,1]=4 4833 B10R0.74 C[C@H](CO)NCCCCCF 2230a_100000737577_100000729378 [0,2,0,0,0,0|1,0,1]=4 4834 B10R0.74 C[C@H](CO)NCCCCCO 2230a_100000737577_100000746330 [0,2,0,0,0,0|1,0,1]=4 4835 B10R0.74 C[C@H](CO)SCCCCCF 62a_100000729378_100016084084 [0,2,0,0,0,0|1,0,1]=4 4836 B10R0.74 C[C@H](CO)SCCCCCF 62a_100016084084_100000729378 [0,2,0,0,0,0|1,0,1]=4 4837 B10R0.74 C[C@H](CO)SCCCCCO 62a_100000746330_100016084084 [0,2,0,0,0,0|1,0,1]=4 4838 B10R0.74 C[C@H](CO)SCCCCCO 62a_100016084084_100000746330 [0,2,0,0,0,0|1,0,1]=4 4839 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [0,2,0,0,0,0|0,0,2]=4 4840 B10R0.74 N#CCCCCNC(=O)CO 240690a_100000751965_100000210174 [0,2,0,0,0,0|1,0,1]=4 4841 B10R0.74 N#CCCCCNC(=O)CO 527a_100000751965_100000210174 [0,2,0,0,0,0|1,0,1]=4 4842 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,2,0,0,0,0|1,0,1]=4 4843 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,2,0,0,0,0|0,0,1]=3 4844 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,2,0,0,0,0|0,0,1]=3 4845 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,2,0,0,0,0|1,0,0]=3 4846 B10R0.74 O=C(CO)NCCOCCO 240690a_100000211614_100000210174 [0,2,0,0,0,0|2,0,0]=4 4847 B10R0.74 O=C(CO)NCCSCCO 240690a_100011219999_100000210174 [0,2,0,0,0,0|2,0,0]=4 4848 B10R0.74 O=C(CO)NCCSCCO 527a_100011219999_100000210174 [0,2,0,0,0,0|2,0,0]=4 4849 B10R0.75 CC(C)C(N)CCOCCO 34a_100161115045_100000211926 [0,2,0,0,0,0|1,0,1]=4 4850 B10R0.75 CC/C=C\CCC(=O)C(C)C 1458a_100000210198_100015370543 [0,2,0,0,0,0|1,0,1]=4 4851 B10R0.75 CC/C=C\CCC(=O)C(C)F 1458a_100000062450_100015370543 [0,2,0,0,0,0|1,0,1]=4 4852 B10R0.75 CC/C=C\CCC(=O)[C@@H](C)O 1458a_100000717761_100015370543 [0,2,0,0,0,0|1,0,1]=4 4853 B10R0.75 CC/C=C\CCC(=O)[C@H](C)O 1458a_217856618621_100015370543 [0,2,0,0,0,0|1,0,1]=4 4854 B10R0.75 CC/C=C\CCN(C)C(C)C 269982a_200000211004_100015370543 [0,2,0,0,0,0|2,0,0]=4 4855 B10R0.75 CC/C=C\CNC(C)C(C)C 2230a_100000211541_100103147603 [0,2,0,0,0,0|2,0,0]=4 4856 B10R0.75 CC/C=C\COC(C)C(C)C 7a_100000748068_100103147603 [0,2,0,0,0,0|2,0,0]=4 4857 B10R0.75 CCCCC=CC(=O)C(C)C 1458a_100016266645_100000210206 [0,2,0,0,0,0|1,0,1]=4 4858 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [0,2,0,0,0,0|1,0,1]=4 4859 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [0,2,0,0,0,0|1,0,1]=4 4860 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [0,2,0,0,0,0|1,0,1]=4 4861 B10R0.75 CCCCCCC(=O)C(O)O 1458a_100000233687_100000210757 [0,2,0,0,0,0|0,0,1]=3 4862 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [0,2,0,0,0,0|0,0,1]=3 4863 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [0,2,0,0,0,0|0,0,1]=3 4864 B10R0.75 CCCCCNC(=O)C(C)C 11a_100000209983_100000210198 [0,2,0,0,0,0|2,0,0]=4 4865 B10R0.75 CCCCCNC(=O)C(C)C 1626a_100000209983_100000210198 [0,2,0,0,0,0|2,0,0]=4 4866 B10R0.75 CCCCCNC(=O)C(C)C 240690a_100000209983_100000210198 [0,2,0,0,0,0|2,0,0]=4 4867 B10R0.75 CCCCCNC(=O)C(C)C 527a_100000209983_100000210198 [0,2,0,0,0,0|2,0,0]=4 4868 B10R0.75 CCCCCNC(=O)C(C)F 11a_100000209983_100000062450 [0,2,0,0,0,0|2,0,0]=4 4869 B10R0.75 CCCCCNC(=O)C(C)F 1626a_100000209983_100000062450 [0,2,0,0,0,0|2,0,0]=4 4870 B10R0.75 CCCCCNC(=O)C(C)F 240690a_100000209983_100000062450 [0,2,0,0,0,0|2,0,0]=4 4871 B10R0.75 CCCCCNC(=O)C(C)F 527a_100000209983_100000062450 [0,2,0,0,0,0|2,0,0]=4 4872 B10R0.75 CCCCCNC(=O)C(F)F 11a_100000209983_100000210393 [0,2,0,0,0,0|2,0,0]=4 4873 B10R0.75 CCCCCNC(=O)C(F)F 1626a_100000209983_100000210393 [0,2,0,0,0,0|2,0,0]=4 4874 B10R0.75 CCCCCNC(=O)C(F)F 240690a_100000209983_100000210393 [0,2,0,0,0,0|2,0,0]=4 4875 B10R0.75 CCCCCNC(=O)C(F)F 527a_100000209983_100000210393 [0,2,0,0,0,0|2,0,0]=4 4876 B10R0.75 CCCCCNC(=O)C(O)O 240690a_100000209983_100000233687 [0,2,0,0,0,0|1,0,0]=3 4877 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [0,2,0,0,0,0|1,0,0]=3 4878 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [0,2,0,0,0,0|1,0,0]=3 4879 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [0,2,0,0,0,0|1,0,0]=3 4880 B10R0.75 CCCCNN=C(C)C(C)O 4a_100025702795_100000212229 [0,2,0,0,0,0|2,0,0]=4 4881 B10R0.75 CCCCNNC(=O)C(O)O 22a_100025702795_100000233687 [0,2,0,0,0,0|2,0,0]=4 4882 B10R0.75 CCCCNNC(=O)[C@@H](C)O 22a_100025702795_100000717761 [0,2,0,0,0,0|2,0,0]=4 4883 B10R0.75 CCCCNNC(=O)[C@H](C)O 22a_100025702795_217856618621 [0,2,0,0,0,0|2,0,0]=4 4884 B10R0.75 CCCCOCC(=O)C(O)O 1458a_100000233687_100011995733 [0,2,0,0,0,0|1,0,1]=4 4885 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [0,2,0,0,0,0|1,0,1]=4 4886 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [0,2,0,0,0,0|1,0,1]=4 4887 B10R0.75 CCCOCCC(=O)C(O)O 1458a_100000233687_100011215938 [0,2,0,0,0,0|1,0,1]=4 4888 B10R0.75 CCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215938 [0,2,0,0,0,0|1,0,1]=4 4889 B10R0.75 CCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215938 [0,2,0,0,0,0|1,0,1]=4 4890 B10R0.75 CCOCCCC(=O)C(O)O 1458a_100000233687_100012232248 [0,2,0,0,0,0|1,0,1]=4 4891 B10R0.75 CCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100012232248 [0,2,0,0,0,0|1,0,1]=4 4892 B10R0.75 CCOCCCC(=O)[C@H](C)O 1458a_217856618621_100012232248 [0,2,0,0,0,0|1,0,1]=4 4893 B10R0.75 CCOCCNC(=O)C(O)O 240690a_100011200944_100000233687 [0,2,0,0,0,0|2,0,0]=4 4894 B10R0.75 CCOCCNC(=O)[C@@H](C)O 240690a_100011200944_100000717761 [0,2,0,0,0,0|2,0,0]=4 4895 B10R0.75 CCOCCNC(=O)[C@H](C)O 1626a_102516460346_217856618621 [0,2,0,0,0,0|2,0,0]=4 4896 B10R0.75 CCOCCNC(=O)[C@H](C)O 240690a_100011200944_217856618621 [0,2,0,0,0,0|2,0,0]=4 4897 B10R0.75 CCSCCNC(=O)C(O)O 240690a_100000106463_100000233687 [0,2,0,0,0,0|2,0,0]=4 4898 B10R0.75 CCSCCNC(=O)[C@@H](C)O 240690a_100000106463_100000717761 [0,2,0,0,0,0|2,0,0]=4 4899 B10R0.75 CCSCCNC(=O)[C@H](C)O 1626a_100000106463_217856618621 [0,2,0,0,0,0|2,0,0]=4 4900 B10R0.75 CCSCCNC(=O)[C@H](C)O 240690a_100000106463_217856618621 [0,2,0,0,0,0|2,0,0]=4 4901 B10R0.75 COCCCCC(=O)C(O)O 1458a_100000233687_100000755781 [0,2,0,0,0,0|1,0,1]=4 4902 B10R0.75 COCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755781 [0,2,0,0,0,0|1,0,1]=4 4903 B10R0.75 COCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755781 [0,2,0,0,0,0|1,0,1]=4 4904 B10R0.75 COCCCNC(=O)C(O)O 240690a_100150723488_100000233687 [0,2,0,0,0,0|2,0,0]=4 4905 B10R0.75 COCCCNC(=O)[C@@H](C)O 240690a_100150723488_100000717761 [0,2,0,0,0,0|2,0,0]=4 4906 B10R0.75 COCCCNC(=O)[C@H](C)O 1626a_100150723488_217856618621 [0,2,0,0,0,0|2,0,0]=4 4907 B10R0.75 COCCCNC(=O)[C@H](C)O 240690a_100150723488_217856618621 [0,2,0,0,0,0|2,0,0]=4 4908 B10R0.75 CSCCCNC(=O)C(O)O 240690a_100000749238_100000233687 [0,2,0,0,0,0|2,0,0]=4 4909 B10R0.75 CSCCCNC(=O)[C@@H](C)O 240690a_100000749238_100000717761 [0,2,0,0,0,0|2,0,0]=4 4910 B10R0.75 CSCCCNC(=O)[C@H](C)O 1626a_100000749238_217856618621 [0,2,0,0,0,0|2,0,0]=4 4911 B10R0.75 CSCCCNC(=O)[C@H](C)O 240690a_100000749238_217856618621 [0,2,0,0,0,0|2,0,0]=4 4912 B10R0.75 C[C@@H](O)C(=O)CCCCCF 1458a_100000717761_100000729378 [0,2,0,0,0,0|1,0,1]=4 4913 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [0,2,0,0,0,0|1,0,1]=4 4914 B10R0.75 C[C@@H](O)C(=O)NCCCCO 240690a_100000750430_100000717761 [0,2,0,0,0,0|2,0,0]=4 4915 B10R0.75 C[C@H](O)C(=O)CCCCCF 1458a_217856618621_100000729378 [0,2,0,0,0,0|1,0,1]=4 4916 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [0,2,0,0,0,0|1,0,1]=4 4917 B10R0.75 C[C@H](O)C(=O)NCCCCO 240690a_100000750430_217856618621 [0,2,0,0,0,0|2,0,0]=4 4918 B10R0.75 O=C(CCCCCF)C(O)O 1458a_100000233687_100000729378 [0,2,0,0,0,0|1,0,1]=4 4919 B10R0.75 O=C(CCCCCO)C(O)O 1458a_100000233687_100000746330 [0,2,0,0,0,0|1,0,1]=4 4920 B10R0.75 O=C(NCCCCO)C(O)O 240690a_100000750430_100000233687 [0,2,0,0,0,0|2,0,0]=4 4921 B10R0.78 CC(C)CCC(C)NCCO 2230a_100016997473_100011261404 [0,2,0,0,0,0|1,0,1]=4 4922 B10R0.78 CC(C)CCC(C)NCCO 2230a_100138410893_100000211926 [0,2,0,0,0,0|1,0,1]=4 4923 B10R0.78 CC(C)CCC(C)NCCO 270004a_100000210304_100000210476 [0,2,0,0,0,0|1,0,1]=4 4924 B10R0.78 CC(C)CCC(C)NCCO 34a_100016990907_100011261404 [0,2,0,0,0,0|1,0,1]=4 4925 B10R0.78 CC(C)CCC(C)OCCO 34a_100011215350_100000211926 [0,2,0,0,0,0|1,0,1]=4 4926 B10R0.78 CC(C)CCC(C)OCCO 7a_100011215350_100000211926 [0,2,0,0,0,0|1,0,1]=4 4927 B10R0.78 CC(C)CCC(C)SCCO 62a_100000211926_100011261404 [0,2,0,0,0,0|1,0,1]=4 4928 B10R0.78 CC(C)CCC(C)SCCO 62a_100011261404_100000211926 [0,2,0,0,0,0|1,0,1]=4 4929 B10R0.78 CCC=CC(=O)CCC(C)C 1458a_100000212282_100000210312 [0,2,0,0,0,0|1,0,1]=4 4930 B10R0.78 CCC=CC(=O)CCC(C)O 1458a_100000212282_100012276601 [0,2,0,0,0,0|1,0,1]=4 4931 B10R0.78 CCCCC(=O)C=CC(C)C 1458a_100016268746_100000210211 [0,2,0,0,0,0|1,0,1]=4 4932 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000126638_100011218427 [0,2,0,0,0,0|1,0,1]=4 4933 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000210904_200011215066 [0,2,0,0,0,0|1,0,1]=4 4934 B10R0.78 CCCCC(C)NCC(C)O 270004a_100000210904_100000210087 [0,2,0,0,0,0|1,0,1]=4 4935 B10R0.78 CCCCC(C)NCC(C)O 34a_100000210904_200011215066 [0,2,0,0,0,0|1,0,1]=4 4936 B10R0.78 CCCCC(C)NC[C@@H](C)O 2230a_100000126638_100009817552 [0,2,0,0,0,0|1,0,1]=4 4937 B10R0.78 CCCCC(C)OCC(C)O 34a_100000687866_100011218427 [0,2,0,0,0,0|1,0,1]=4 4938 B10R0.78 CCCCC(C)OCC(C)O 7a_100000687866_100011218427 [0,2,0,0,0,0|1,0,1]=4 4939 B10R0.78 CCCCC(C)OC[C@@H](C)O 34a_100000687866_100009817552 [0,2,0,0,0,0|1,0,1]=4 4940 B10R0.78 CCCCC(C)OC[C@@H](C)O 7a_100000687866_100009817552 [0,2,0,0,0,0|1,0,1]=4 4941 B10R0.78 CCCCC(C)SCC(C)O 62a_100011218427_200011215066 [0,2,0,0,0,0|1,0,1]=4 4942 B10R0.78 CCCCC(C)SCC(C)O 62a_200011215066_100011218427 [0,2,0,0,0,0|1,0,1]=4 4943 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_100009817552_200011215066 [0,2,0,0,0,0|1,0,1]=4 4944 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_200011215066_100009817552 [0,2,0,0,0,0|1,0,1]=4 4945 B10R0.97 CC(Br)COC/C=C/B(O)O 34a_100012180447_100016262062 [0,2,0,0,0,0|2,0,0]=4 4946 B10R0.97 CC(C)CCCNCC(C)O 2230a_100000210904_100011214892 [0,2,0,0,0,0|1,0,1]=4 4947 B10R0.97 CC(C)CCCNCC(C)O 2230a_200000737386_100011218427 [0,2,0,0,0,0|1,0,1]=4 4948 B10R0.97 CC(C)CCCNCC(C)O 34a_100000210904_100011214892 [0,2,0,0,0,0|1,0,1]=4 4949 B10R0.97 CC(C)CCCNCC(C)O 34a_200000737386_100011218427 [0,2,0,0,0,0|1,0,1]=4 4950 B10R0.97 CC(C)CCCNC[C@@H](C)O 2230a_200000737386_100009817552 [0,2,0,0,0,0|1,0,1]=4 4951 B10R0.97 CC(C)CCCNC[C@@H](C)O 34a_200000737386_100009817552 [0,2,0,0,0,0|1,0,1]=4 4952 B10R0.97 CC(C)CCCOCC(C)O 34a_100000210774_100011218427 [0,2,0,0,0,0|1,0,1]=4 4953 B10R0.97 CC(C)CCCOCC(C)O 7a_100000210774_100011218427 [0,2,0,0,0,0|1,0,1]=4 4954 B10R0.97 CC(C)CCCOC[C@@H](C)O 34a_100000210774_100009817552 [0,2,0,0,0,0|1,0,1]=4 4955 B10R0.97 CC(C)CCCOC[C@@H](C)O 7a_100000210774_100009817552 [0,2,0,0,0,0|1,0,1]=4 4956 B10R0.97 CC(C)CCCSCC(C)O 62a_100011214892_100011218427 [0,2,0,0,0,0|1,0,1]=4 4957 B10R0.97 CC(C)CCCSCC(C)O 62a_100011218427_100011214892 [0,2,0,0,0,0|1,0,1]=4 4958 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100009817552_100011214892 [0,2,0,0,0,0|1,0,1]=4 4959 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100011214892_100009817552 [0,2,0,0,0,0|1,0,1]=4 4960 B10R0.97 CC(C)CNC/C=C/B(O)O 2230a_100000210953_100016262062 [0,2,0,0,0,0|2,0,0]=4 4961 B10R0.97 CC(C)CNC/C=C/B(O)O 34a_100000210953_100016262062 [0,2,0,0,0,0|2,0,0]=4 4962 B10R0.97 CC(C)COC/C=C/B(O)O 34a_100000210257_100016262062 [0,2,0,0,0,0|2,0,0]=4 4963 B10R0.97 CC(C)CSC/C=C/B(O)O 62a_100000210624_100016262062 [0,2,0,0,0,0|2,0,0]=4 4964 B10R0.97 CC(C)CSC/C=C/B(O)O 62a_100016262062_100000210760 [0,2,0,0,0,0|2,0,0]=4 4965 B10R0.97 CC(F)COC/C=C/B(O)O 34a_100015925927_100016262062 [0,2,0,0,0,0|2,0,0]=4 4966 B10R0.97 CC(O)CCCNCC(C)O 2230a_100000210904_200000718107 [0,2,0,0,0,0|1,0,1]=4 4967 B10R0.97 CC(O)CCCNCC(C)O 34a_100000210904_200000718107 [0,2,0,0,0,0|1,0,1]=4 4968 B10R0.97 CC(O)CCCSCC(C)O 62a_100011218427_200000718107 [0,2,0,0,0,0|1,0,1]=4 4969 B10R0.97 CC(O)CCCSCC(C)O 62a_200000718107_100011218427 [0,2,0,0,0,0|1,0,1]=4 4970 B10R0.97 CC(O)CCCSC[C@@H](C)O 62a_100009817552_200000718107 [0,2,0,0,0,0|1,0,1]=4 4971 B10R0.97 CC(O)CCCSC[C@@H](C)O 62a_200000718107_100009817552 [0,2,0,0,0,0|1,0,1]=4 4972 B10R0.97 CC(O)CNC/C=C/B(O)O 2230a_100000210904_100016262062 [0,2,0,0,0,0|2,0,0]=4 4973 B10R0.97 CC(O)CNC/C=C/B(O)O 34a_100000210904_100016262062 [0,2,0,0,0,0|2,0,0]=4 4974 B10R0.97 CC(O)CSC/C=C/B(O)O 62a_100011218427_100016262062 [0,2,0,0,0,0|2,0,0]=4 4975 B10R0.97 CC(O)CSC/C=C/B(O)O 62a_100016262062_100011218427 [0,2,0,0,0,0|2,0,0]=4 4976 B10R0.97 CN(C)CCC/C=C/B(O)O 2230a_100102631434_200016261450 [0,2,0,0,0,0|2,0,0]=4 4977 B10R0.97 CN(C)CCC/C=C/B(O)O 269982a_100102631434_200016261450 [0,2,0,0,0,0|2,0,0]=4 4978 B10R0.97 C[C@@H](Cl)COC/C=C/B(O)O 34a_100016084084_100016262062 [0,2,0,0,0,0|2,0,0]=4 4979 B10R0.97 C[C@@H](N)COC/C=C/B(O)O 34a_100000737577_100016262062 [0,2,0,0,0,0|2,0,0]=4 4980 B10R0.97 C[C@@H](O)CSC/C=C/B(O)O 62a_100009817552_100016262062 [0,2,0,0,0,0|2,0,0]=4 4981 B10R0.97 C[C@@H](O)CSC/C=C/B(O)O 62a_100016262062_100009817552 [0,2,0,0,0,0|2,0,0]=4 4982 B10R0.1 C#CCC(=O)C=CCCCC 1458a_100016266645_100000184674 [0,2,0,0,0,0|1,0,1]=4 4983 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [0,2,0,0,0,0|1,0,1]=4 4984 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [0,2,0,0,0,0|1,0,1]=4 4985 B10R0.1 C#CCC(=O)NCCCCC 1626a_100000209983_100011220946 [0,2,0,0,0,0|2,0,0]=4 4986 B10R0.1 C#CCC(=O)NCCCCC 527a_100000209983_100011220946 [0,2,0,0,0,0|2,0,0]=4 4987 B10R0.1 C#CCCCCC(=O)CCO 1458a_100000696528_100000211926 [0,2,0,0,0,0|0,0,2]=4 4988 B10R0.1 C#CCCCCC(=O)CCO 1458a_100011216618_100010269958 [0,2,0,0,0,0|0,0,2]=4 4989 B10R0.1 C=CCC(=O)C=CCCCC 1458a_100016266645_100000210623 [0,2,0,0,0,0|1,0,1]=4 4990 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,2,0,0,0,0|1,0,1]=4 4991 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,2,0,0,0,0|1,0,1]=4 4992 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [0,2,0,0,0,0|2,0,0]=4 4993 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [0,2,0,0,0,0|2,0,0]=4 4994 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [0,2,0,0,0,0|2,0,0]=4 4995 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [0,2,0,0,0,0|2,0,0]=4 4996 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [0,2,0,0,0,0|0,0,2]=4 4997 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [0,2,0,0,0,0|0,0,2]=4 4998 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [0,2,0,0,0,0|1,0,0]=3 4999 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [0,2,0,0,0,0|0,0,2]=4 5000 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [0,2,0,0,0,0|1,0,1]=4 5001 B10R0.1 CC/C=C\CCC(=O)CSC 1458a_100000184570_100015370543 [0,2,0,0,0,0|1,0,1]=4 5002 B10R0.1 CC/C=C\CCN(C)CCC 2230a_100000747261_100015370543 [0,2,0,0,0,0|1,0,0]=3 5003 B10R0.1 CC/C=C\CCN(C)CCC 269982a_100000747261_100015370543 [0,2,0,0,0,0|1,0,0]=3 5004 B10R0.1 CC/C=C\CCN(C)CCO 2230a_100000210263_100015370543 [0,2,0,0,0,0|2,0,0]=4 5005 B10R0.1 CC/C=C\CCN(C)CCO 269982a_100000210263_100015370543 [0,2,0,0,0,0|2,0,0]=4 5006 B10R0.1 CC/C=C\CNC(C)CCC 2230a_100000741246_100103147603 [0,2,0,0,0,0|1,0,0]=3 5007 B10R0.1 CC/C=C\CN[C@H](C)CCO 2230a_100000706166_100103147603 [0,2,0,0,0,0|2,0,0]=4 5008 B10R0.1 CC/C=C\CN[C@H](C)CCO 34a_100000706166_100103147603 [0,2,0,0,0,0|2,0,0]=4 5009 B10R0.1 CC/C=C\CN[C@H](C)COC 2230a_100000764878_100103147603 [0,2,0,0,0,0|2,0,0]=4 5010 B10R0.1 CC/C=C\COC(C)CCBr 34a_100012276601_100103147603 [0,2,0,0,0,0|2,0,0]=4 5011 B10R0.1 CC/C=C\COC(C)CCC 34a_100000764384_100103147603 [0,2,0,0,0,0|1,0,0]=3 5012 B10R0.1 CC/C=C\COC(C)CCC 34a_100016268518_100000766640 [0,2,0,0,0,0|1,0,0]=3 5013 B10R0.1 CC/C=C\COC(C)CCC 7a_100000764384_100103147603 [0,2,0,0,0,0|1,0,0]=3 5014 B10R0.1 CC/C=C\COC(C)CCO 34a_100016268518_100009893172 [0,2,0,0,0,0|2,0,0]=4 5015 B10R0.1 CC/C=C\COC(C)COC 34a_100016268518_100000765312 [0,2,0,0,0,0|2,0,0]=4 5016 B10R0.1 CC/C=C\CO[C@H](C)COC 34a_100011934205_100103147603 [0,2,0,0,0,0|2,0,0]=4 5017 B10R0.1 CC/C=C\CSC(C)CCC 62a_100000766640_100103147603 [0,2,0,0,0,0|1,0,0]=3 5018 B10R0.1 CC/C=C\CSC(C)CCC 62a_100103147603_100000766640 [0,2,0,0,0,0|1,0,0]=3 5019 B10R0.1 CC/C=C\CSC(C)CCO 62a_100009893172_100103147603 [0,2,0,0,0,0|2,0,0]=4 5020 B10R0.1 CC/C=C\CSC(C)CCO 62a_100103147603_100009893172 [0,2,0,0,0,0|2,0,0]=4 5021 B10R0.1 CC/C=C\CSC(C)COC 62a_100000765312_100103147603 [0,2,0,0,0,0|2,0,0]=4 5022 B10R0.1 CC/C=C\CSC(C)COC 62a_100103147603_100000765312 [0,2,0,0,0,0|2,0,0]=4 5023 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,2,0,0,0,0|1,0,1]=4 5024 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [0,2,0,0,0,0|1,0,1]=4 5025 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [0,2,0,0,0,0|1,0,1]=4 5026 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [0,2,0,0,0,0|1,0,1]=4 5027 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [0,2,0,0,0,0|1,0,1]=4 5028 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [0,2,0,0,0,0|1,0,1]=4 5029 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [0,2,0,0,0,0|1,0,1]=4 5030 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [0,2,0,0,0,0|1,0,1]=4 5031 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [0,2,0,0,0,0|1,0,1]=4 5032 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [0,2,0,0,0,0|1,0,1]=4 5033 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [0,2,0,0,0,0|1,0,1]=4 5034 B10R0.1 CCC/C=C/CC(=O)CCO 1458a_200016266809_100000211926 [0,2,0,0,0,0|0,0,2]=4 5035 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,2,0,0,0,0|1,0,1]=4 5036 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,2,0,0,0,0|0,0,2]=4 5037 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,2,0,0,0,0|0,0,2]=4 5038 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,2,0,0,0,0|1,0,1]=4 5039 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,2,0,0,0,0|1,0,1]=4 5040 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [0,2,0,0,0,0|1,0,1]=4 5041 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [0,2,0,0,0,0|1,0,1]=4 5042 B10R0.1 CCCC(C)CCOCCO 34a_100011217855_100000211926 [0,2,0,0,0,0|0,0,2]=4 5043 B10R0.1 CCCC(C)CCOCCO 7a_100011217855_100000211926 [0,2,0,0,0,0|0,0,2]=4 5044 B10R0.1 CCCC(C)CNCCCO 270004a_100000182051_100000243154 [0,2,0,0,0,0|0,0,2]=4 5045 B10R0.1 CCCC(C)CNCCOC 2230a_100000209980_100011216630 [0,2,0,0,0,0|1,0,1]=4 5046 B10R0.1 CCCC(C)CNCCOC 270004a_100000209980_100000243154 [0,2,0,0,0,0|1,0,1]=4 5047 B10R0.1 CCCC(C)COCCCO 34a_100000688023_100000230001 [0,2,0,0,0,0|0,0,2]=4 5048 B10R0.1 CCCC(C)COCCCO 7a_100000688023_100011215043 [0,2,0,0,0,0|0,0,2]=4 5049 B10R0.1 CCCC(C)COCCOC 34a_100000210237_100011216630 [0,2,0,0,0,0|1,0,1]=4 5050 B10R0.1 CCCC(C)COCCOC 34a_100000688023_100011201679 [0,2,0,0,0,0|1,0,1]=4 5051 B10R0.1 CCCC(C)COCCOC 7a_100000688023_100000233755 [0,2,0,0,0,0|1,0,1]=4 5052 B10R0.1 CCCC(C)COCCON 34a_100000700252_100011216630 [0,2,0,0,0,0|1,0,1]=4 5053 B10R0.1 CCCC(C)CSCCCO 62a_100011215043_100011216630 [0,2,0,0,0,0|0,0,2]=4 5054 B10R0.1 CCCC(C)CSCCCO 62a_100011216630_100011215043 [0,2,0,0,0,0|0,0,2]=4 5055 B10R0.1 CCCC(C)CSCCOC 62a_100000233755_100011216630 [0,2,0,0,0,0|1,0,1]=4 5056 B10R0.1 CCCC(C)CSCCOC 62a_100011216630_100000233755 [0,2,0,0,0,0|1,0,1]=4 5057 B10R0.1 CCCC(C)NCC#CCO 2230a_100000741246_200000047223 [0,2,0,0,0,0|0,0,2]=4 5058 B10R0.1 CCCC(C)NCCCCO 2230a_100000741246_100000210776 [0,2,0,0,0,0|0,0,2]=4 5059 B10R0.1 CCCC(C)NCCCCO 2230a_100000750430_100000766640 [0,2,0,0,0,0|0,0,2]=4 5060 B10R0.1 CCCC(C)NCCCCO 270004a_100000750430_100000211909 [0,2,0,0,0,0|0,0,2]=4 5061 B10R0.1 CCCC(C)NCCCCO 34a_100000750430_100000766640 [0,2,0,0,0,0|0,0,2]=4 5062 B10R0.1 CCCC(C)OCC#CCO 34a_100000764384_200000047223 [0,2,0,0,0,0|0,0,2]=4 5063 B10R0.1 CCCC(C)OCC#CCO 7a_100000764384_200000047223 [0,2,0,0,0,0|0,0,2]=4 5064 B10R0.1 CCCC(C)OCCCCO 34a_100000764384_100011216708 [0,2,0,0,0,0|0,0,2]=4 5065 B10R0.1 CCCC(C)OCCCCO 7a_100000764384_100000210776 [0,2,0,0,0,0|0,0,2]=4 5066 B10R0.1 CCCC(C)SCC#CCO 62a_100000766640_200000047223 [0,2,0,0,0,0|0,0,2]=4 5067 B10R0.1 CCCC(C)SCC#CCO 62a_200000047223_100000766640 [0,2,0,0,0,0|0,0,2]=4 5068 B10R0.1 CCCC(C)SCCCCO 62a_100000210776_100000766640 [0,2,0,0,0,0|0,0,2]=4 5069 B10R0.1 CCCC(C)SCCCCO 62a_100000766640_100000210776 [0,2,0,0,0,0|0,0,2]=4 5070 B10R0.1 CCCCC=CC(=O)CC#N 1458a_100016266645_100011214920 [0,2,0,0,0,0|1,0,1]=4 5071 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [0,2,0,0,0,0|1,0,1]=4 5072 B10R0.1 CCCCC=CC(=O)CCF 1458a_100016266645_100011217306 [0,2,0,0,0,0|1,0,1]=4 5073 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [0,2,0,0,0,0|0,0,1]=3 5074 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [0,2,0,0,0,0|1,0,1]=4 5075 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [0,2,0,0,0,0|1,0,1]=4 5076 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [0,2,0,0,0,0|1,0,1]=4 5077 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [0,2,0,0,0,0|1,0,1]=4 5078 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [0,2,0,0,0,0|1,0,1]=4 5079 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [0,2,0,0,0,0|1,0,1]=4 5080 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [0,2,0,0,0,0|1,0,1]=4 5081 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,2,0,0,0,0|1,0,1]=4 5082 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,2,0,0,0,0|1,0,1]=4 5083 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,2,0,0,0,0|1,0,1]=4 5084 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,2,0,0,0,0|0,0,1]=3 5085 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,2,0,0,0,0|0,0,1]=3 5086 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,2,0,0,0,0|0,0,1]=3 5087 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,2,0,0,0,0|0,1,1]=4 5088 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,2,0,0,0,0|1,0,1]=4 5089 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,2,0,0,0,0|1,0,1]=4 5090 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,2,0,0,0,0|1,0,1]=4 5091 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [0,2,0,0,0,0|0,0,2]=4 5092 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [0,2,0,0,0,0|0,0,2]=4 5093 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [0,2,0,0,0,0|0,0,2]=4 5094 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [0,2,0,0,0,0|0,0,2]=4 5095 B10R0.1 CCCCCCN(C)COC 2230a_106256046315_100000766300 [0,2,0,0,0,0|1,0,1]=4 5096 B10R0.1 CCCCCCN(C)COC 269982a_106256046315_100000766300 [0,2,0,0,0,0|1,0,1]=4 5097 B10R0.1 CCCCCNC(=O)C=CBr 1626a_100000209983_100016273825 [0,2,0,0,0,0|1,0,1]=4 5098 B10R0.1 CCCCCNC(=O)C=CBr 240690a_100000209983_100016273825 [0,2,0,0,0,0|1,0,1]=4 5099 B10R0.1 CCCCCNC(=O)C=CCl 11a_100000209983_200016279998 [0,2,0,0,0,0|1,0,1]=4 5100 B10R0.1 CCCCCNC(=O)C=CCl 1626a_100000209983_200016279998 [0,2,0,0,0,0|1,0,1]=4 5101 B10R0.1 CCCCCNC(=O)C=CCl 240690a_100000209983_200016279998 [0,2,0,0,0,0|1,0,1]=4 5102 B10R0.1 CCCCCNC(=O)C=CI 1626a_100000209983_100016256311 [0,2,0,0,0,0|1,0,1]=4 5103 B10R0.1 CCCCCNC(=O)CC#N 1626a_100000209983_100051588842 [0,2,0,0,0,0|2,0,0]=4 5104 B10R0.1 CCCCCNC(=O)CC#N 240690a_100000209983_100051588842 [0,2,0,0,0,0|2,0,0]=4 5105 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,2,0,0,0,0|1,0,1]=4 5106 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,2,0,0,0,0|1,0,1]=4 5107 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,2,0,0,0,0|1,0,1]=4 5108 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,2,0,0,0,0|1,0,1]=4 5109 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,2,0,0,0,0|0,0,1]=3 5110 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [0,2,0,0,0,0|2,0,0]=4 5111 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [0,2,0,0,0,0|2,0,0]=4 5112 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [0,2,0,0,0,0|2,0,0]=4 5113 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,2,0,0,0,0|1,0,0]=3 5114 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,2,0,0,0,0|1,0,0]=3 5115 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,2,0,0,0,0|1,0,0]=3 5116 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,2,0,0,0,0|1,0,0]=3 5117 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,2,0,0,0,0|1,0,0]=3 5118 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [0,2,0,0,0,0|1,1,0]=4 5119 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [0,2,0,0,0,0|1,1,0]=4 5120 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [0,2,0,0,0,0|1,1,0]=4 5121 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [0,2,0,0,0,0|1,1,0]=4 5122 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [0,2,0,0,0,0|1,1,0]=4 5123 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [0,2,0,0,0,0|1,1,0]=4 5124 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [0,2,0,0,0,0|1,1,0]=4 5125 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [0,2,0,0,0,0|1,1,0]=4 5126 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,2,0,0,0,0|2,0,0]=4 5127 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,2,0,0,0,0|2,0,0]=4 5128 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,2,0,0,0,0|2,0,0]=4 5129 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,2,0,0,0,0|2,0,0]=4 5130 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,2,0,0,0,0|2,0,0]=4 5131 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,2,0,0,0,0|2,0,0]=4 5132 B10R0.1 CCCCCNC(C)CCO 2230a_100000209983_100009893172 [0,2,0,0,0,0|0,0,2]=4 5133 B10R0.1 CCCCCNC(C)COC 2230a_100000209983_100000765312 [0,2,0,0,0,0|1,0,1]=4 5134 B10R0.1 CCCCCNC(C)COC 270004a_100000209983_100000749346 [0,2,0,0,0,0|1,0,1]=4 5135 B10R0.1 CCCCCN[C@H](C)CCO 2230a_100000706166_100000210326 [0,2,0,0,0,0|0,0,2]=4 5136 B10R0.1 CCCCCN[C@H](C)CCO 34a_100000706166_100000718602 [0,2,0,0,0,0|0,0,2]=4 5137 B10R0.1 CCCCCN[C@H](C)COC 2230a_100000764878_100000210326 [0,2,0,0,0,0|1,0,1]=4 5138 B10R0.1 CCCCCOC(C)CCO 34a_100000210253_100009893172 [0,2,0,0,0,0|0,0,2]=4 5139 B10R0.1 CCCCCOC(C)CCO 7a_100000210253_100009893172 [0,2,0,0,0,0|0,0,2]=4 5140 B10R0.1 CCCCCOC(C)COC 34a_100000210253_100000765312 [0,2,0,0,0,0|1,0,1]=4 5141 B10R0.1 CCCCCOC(C)COC 7a_100000210253_100000765312 [0,2,0,0,0,0|1,0,1]=4 5142 B10R0.1 CCCCCO[C@H](C)COC 34a_100011934205_100000718602 [0,2,0,0,0,0|1,0,1]=4 5143 B10R0.1 CCCCCSC(C)CCO 62a_100000210326_100009893172 [0,2,0,0,0,0|0,0,2]=4 5144 B10R0.1 CCCCCSC(C)CCO 62a_100009893172_100000210326 [0,2,0,0,0,0|0,0,2]=4 5145 B10R0.1 CCCCCSC(C)COC 62a_100000210326_100000765312 [0,2,0,0,0,0|1,0,1]=4 5146 B10R0.1 CCCCCSC(C)COC 62a_100000765312_100000210326 [0,2,0,0,0,0|1,0,1]=4 5147 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,2,0,0,0,0|1,0,1]=4 5148 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,2,0,0,0,0|1,0,1]=4 5149 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,2,0,0,0,0|2,0,0]=4 5150 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,2,0,0,0,0|2,0,0]=4 5151 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,2,0,0,0,0|2,0,0]=4 5152 B10R0.1 CCCCNCC(=O)NCO 2230a_100000102301_100000185155 [0,2,0,0,0,0|1,0,0]=3 5153 B10R0.1 CCCCNCC(=O)NCO 7a_106832991798_100000185155 [0,2,0,0,0,0|1,0,0]=3 5154 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,2,0,0,0,0|2,0,0]=4 5155 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,2,0,0,0,0|2,0,0]=4 5156 B10R0.1 CCCCNN=C(C)COC 4a_100025702795_100000749346 [0,2,0,0,0,0|2,0,0]=4 5157 B10R0.1 CCCCNNC(=O)CCO 22a_100025702795_100011216618 [0,2,0,0,0,0|1,0,1]=4 5158 B10R0.1 CCCCNNC(=O)COC 22a_100025702795_100000210968 [0,2,0,0,0,0|2,0,0]=4 5159 B10R0.1 CCCCOCC(=O)C=CBr 1458a_100016273825_100011995733 [0,2,0,0,0,0|1,0,1]=4 5160 B10R0.1 CCCCOCC(=O)C=CCl 1458a_200016279998_100011995733 [0,2,0,0,0,0|1,0,1]=4 5161 B10R0.1 CCCCOCC(=O)C=CI 1458a_100016256311_100011995733 [0,2,0,0,0,0|1,0,1]=4 5162 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,2,0,0,0,0|1,0,1]=4 5163 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,2,0,0,0,0|1,0,1]=4 5164 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,2,0,0,0,0|1,0,1]=4 5165 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [0,2,0,0,0,0|1,0,1]=4 5166 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,2,0,0,0,0|0,0,1]=3 5167 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,2,0,0,0,0|0,0,1]=3 5168 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,2,0,0,0,0|1,0,1]=4 5169 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,2,0,0,0,0|2,0,0]=4 5170 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,2,0,0,0,0|2,0,0]=4 5171 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,2,0,0,0,0|2,0,0]=4 5172 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,2,0,0,0,0|2,0,0]=4 5173 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,2,0,0,0,0|2,0,0]=4 5174 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [0,2,0,0,0,0|1,0,0]=3 5175 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [0,2,0,0,0,0|1,0,0]=3 5176 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,2,0,0,0,0|2,0,0]=4 5177 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,2,0,0,0,0|2,0,0]=4 5178 B10R0.1 CCCCOCN(C)CCO 2230a_100000210263_100011995733 [0,2,0,0,0,0|1,0,1]=4 5179 B10R0.1 CCCCOCN(C)CCO 269982a_100000210263_100011995733 [0,2,0,0,0,0|1,0,1]=4 5180 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,2,0,0,0,0|1,0,1]=4 5181 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,2,0,0,0,0|1,0,1]=4 5182 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,2,0,0,0,0|1,0,1]=4 5183 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [0,2,0,0,0,0|1,0,1]=4 5184 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,2,0,0,0,0|0,0,1]=3 5185 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,2,0,0,0,0|2,0,0]=4 5186 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,2,0,0,0,0|2,0,0]=4 5187 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,2,0,0,0,0|2,0,0]=4 5188 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,2,0,0,0,0|2,0,0]=4 5189 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,2,0,0,0,0|2,0,0]=4 5190 B10R0.1 CCCCSCC(=O)NCO 62a_100000185155_100000210210 [0,2,0,0,0,0|1,0,0]=3 5191 B10R0.1 CCCCSCC(=O)NCO 62a_100000210211_100000185155 [0,2,0,0,0,0|1,0,0]=3 5192 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,2,0,0,0,0|2,0,0]=4 5193 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,2,0,0,0,0|2,0,0]=4 5194 B10R0.1 CCCN(C)CCCCCO 2230a_100000722520_100000210303 [0,2,0,0,0,0|0,0,2]=4 5195 B10R0.1 CCCN(C)CCCCCO 2230a_100000747261_100000746330 [0,2,0,0,0,0|0,0,2]=4 5196 B10R0.1 CCCN(C)CCCCCO 269982a_100000722520_100000210303 [0,2,0,0,0,0|0,0,2]=4 5197 B10R0.1 CCCN(C)CCCCCO 269982a_100000747261_100000746330 [0,2,0,0,0,0|0,0,2]=4 5198 B10R0.1 CCCN(C)CCOCCO 2230a_100000228057_100000210303 [0,2,0,0,0,0|1,0,1]=4 5199 B10R0.1 CCCN(C)CCOCCO 2230a_100000747261_100011215305 [0,2,0,0,0,0|1,0,1]=4 5200 B10R0.1 CCCN(C)CCOCCO 269982a_100000228057_100000210303 [0,2,0,0,0,0|1,0,1]=4 5201 B10R0.1 CCCN(C)CCOCCO 269982a_100000747261_100011215305 [0,2,0,0,0,0|1,0,1]=4 5202 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [0,2,0,0,0,0|2,0,0]=4 5203 B10R0.1 CCCOCCC(=O)C=CBr 1458a_100016273825_100011215938 [0,2,0,0,0,0|1,0,1]=4 5204 B10R0.1 CCCOCCC(=O)C=CCl 1458a_200016279998_100011215938 [0,2,0,0,0,0|1,0,1]=4 5205 B10R0.1 CCCOCCC(=O)C=CI 1458a_100016256311_100011215938 [0,2,0,0,0,0|1,0,1]=4 5206 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,2,0,0,0,0|1,0,1]=4 5207 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,2,0,0,0,0|0,0,1]=3 5208 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [0,2,0,0,0,0|1,0,1]=4 5209 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,2,0,0,0,0|2,0,0]=4 5210 B10R0.1 CCCOCCN(C)CCO 2230a_100000210263_100011215938 [0,2,0,0,0,0|1,0,1]=4 5211 B10R0.1 CCCOCCN(C)CCO 269982a_100000210263_100011215938 [0,2,0,0,0,0|1,0,1]=4 5212 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [0,2,0,0,0,0|2,0,0]=4 5213 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [0,2,0,0,0,0|2,0,0]=4 5214 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,2,0,0,0,0|2,0,0]=4 5215 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,2,0,0,0,0|2,0,0]=4 5216 B10R0.1 CCC[C@H](N)CCOCCO 34a_100015193777_100000211926 [0,2,0,0,0,0|0,0,2]=4 5217 B10R0.1 CCC[C@H](N)COCCCO 34a_100000732646_100000230001 [0,2,0,0,0,0|0,0,2]=4 5218 B10R0.1 CCC[C@H](N)COCCOC 34a_100000732646_100011201679 [0,2,0,0,0,0|1,0,1]=4 5219 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,2,0,0,0,0|2,0,0]=4 5220 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,2,0,0,0,0|2,0,0]=4 5221 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,2,0,0,0,0|2,0,0]=4 5222 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,2,0,0,0,0|2,0,0]=4 5223 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,2,0,0,0,0|2,0,0]=4 5224 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,2,0,0,0,0|2,0,0]=4 5225 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,2,0,0,0,0|2,0,0]=4 5226 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,2,0,0,0,0|2,0,0]=4 5227 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,2,0,0,0,0|2,0,0]=4 5228 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,2,0,0,0,0|2,0,0]=4 5229 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,2,0,0,0,0|2,0,0]=4 5230 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,2,0,0,0,0|2,0,0]=4 5231 B10R0.1 CCOCCCC(=O)C=CBr 1458a_100016273825_100012232248 [0,2,0,0,0,0|1,0,1]=4 5232 B10R0.1 CCOCCCC(=O)C=CCl 1458a_200016279998_100012232248 [0,2,0,0,0,0|1,0,1]=4 5233 B10R0.1 CCOCCCC(=O)C=CI 1458a_100016256311_100012232248 [0,2,0,0,0,0|1,0,1]=4 5234 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [0,2,0,0,0,0|0,0,1]=3 5235 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [0,2,0,0,0,0|1,0,1]=4 5236 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,2,0,0,0,0|2,0,0]=4 5237 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,2,0,0,0,0|2,0,0]=4 5238 B10R0.1 CCOCCCN(C)CCO 2230a_100000210263_100012232248 [0,2,0,0,0,0|1,0,1]=4 5239 B10R0.1 CCOCCCN(C)CCO 269982a_100000210263_100012232248 [0,2,0,0,0,0|1,0,1]=4 5240 B10R0.1 CCOCCNC(=O)CCO 240690a_100011200944_100011216618 [0,2,0,0,0,0|1,0,1]=4 5241 B10R0.1 CCOCCNC(=O)COC 11a_100011200944_100000210968 [0,2,0,0,0,0|2,0,0]=4 5242 B10R0.1 CCOCCNC(=O)COC 1626a_102516460346_100000210968 [0,2,0,0,0,0|2,0,0]=4 5243 B10R0.1 CCOCCNC(=O)COC 240690a_100011200944_100000210968 [0,2,0,0,0,0|2,0,0]=4 5244 B10R0.1 CCOCCNC(=O)COC 527a_100011200944_100000210968 [0,2,0,0,0,0|2,0,0]=4 5245 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [0,2,0,0,0,0|2,0,0]=4 5246 B10R0.1 CCOCSCC(=O)NCO 62a_100000185155_100000739092 [0,2,0,0,0,0|2,0,0]=4 5247 B10R0.1 CCOCSCC(=O)NCO 62a_100000739092_100000185155 [0,2,0,0,0,0|2,0,0]=4 5248 B10R0.1 CCSCCNC(=O)CCO 240690a_100000106463_100011216618 [0,2,0,0,0,0|1,0,1]=4 5249 B10R0.1 CCSCCNC(=O)COC 11a_100000106463_100000210968 [0,2,0,0,0,0|2,0,0]=4 5250 B10R0.1 CCSCCNC(=O)COC 1626a_100000106463_100000210968 [0,2,0,0,0,0|2,0,0]=4 5251 B10R0.1 CCSCCNC(=O)COC 240690a_100000106463_100000210968 [0,2,0,0,0,0|2,0,0]=4 5252 B10R0.1 CCSCCNC(=O)COC 527a_100000106463_100000210968 [0,2,0,0,0,0|2,0,0]=4 5253 B10R0.1 CN(CCO)CCCCCF 2230a_100000210263_100000729378 [0,2,0,0,0,0|1,0,1]=4 5254 B10R0.1 CN(CCO)CCCCCF 269982a_100000210263_100000729378 [0,2,0,0,0,0|1,0,1]=4 5255 B10R0.1 CN(CCO)CCCCCO 2230a_100000210263_100000746330 [0,2,0,0,0,0|1,0,1]=4 5256 B10R0.1 CN(CCO)CCCCCO 2230a_100000722520_100000211926 [0,2,0,0,0,0|1,0,1]=4 5257 B10R0.1 CN(CCO)CCCCCO 269982a_100000210263_100000746330 [0,2,0,0,0,0|1,0,1]=4 5258 B10R0.1 CN(CCO)CCCCCO 269982a_100000722520_100000211926 [0,2,0,0,0,0|1,0,1]=4 5259 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,2,0,0,0,0|1,0,1]=4 5260 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,2,0,0,0,0|1,0,1]=4 5261 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [0,2,0,0,0,0|2,0,0]=4 5262 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [0,2,0,0,0,0|2,0,0]=4 5263 B10R0.1 COCC(=O)NCCCSC 11a_100000749238_100000210968 [0,2,0,0,0,0|2,0,0]=4 5264 B10R0.1 COCC(=O)NCCCSC 1626a_100000749238_100000210968 [0,2,0,0,0,0|2,0,0]=4 5265 B10R0.1 COCC(=O)NCCCSC 240690a_100000749238_100000210968 [0,2,0,0,0,0|2,0,0]=4 5266 B10R0.1 COCC(=O)NCCCSC 527a_100000749238_100000210968 [0,2,0,0,0,0|2,0,0]=4 5267 B10R0.1 COCCCCC(=O)C=CBr 1458a_100016273825_100000755781 [0,2,0,0,0,0|1,0,1]=4 5268 B10R0.1 COCCCCC(=O)C=CCl 1458a_200016279998_100000755781 [0,2,0,0,0,0|1,0,1]=4 5269 B10R0.1 COCCCCC(=O)C=CI 1458a_100016256311_100000755781 [0,2,0,0,0,0|1,0,1]=4 5270 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [0,2,0,0,0,0|0,0,1]=3 5271 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,2,0,0,0,0|1,0,1]=4 5272 B10R0.1 COCCCCN(C)CCO 2230a_100000210263_100000730899 [0,2,0,0,0,0|1,0,1]=4 5273 B10R0.1 COCCCCN(C)CCO 269982a_100000210263_100000730899 [0,2,0,0,0,0|1,0,1]=4 5274 B10R0.1 COCCCNC(=O)CCO 240690a_100150723488_100011216618 [0,2,0,0,0,0|1,0,1]=4 5275 B10R0.1 COCCCNC(=O)COC 1626a_100150723488_100000210968 [0,2,0,0,0,0|2,0,0]=4 5276 B10R0.1 COCCCNC(=O)COC 240690a_100150723488_100000210968 [0,2,0,0,0,0|2,0,0]=4 5277 B10R0.1 COCCCNC(=O)COC 34a_100138415774_100000183178 [0,2,0,0,0,0|2,0,0]=4 5278 B10R0.1 COCCCNC(=O)COC 527a_100150723488_100000210968 [0,2,0,0,0,0|2,0,0]=4 5279 B10R0.1 COCCNCC(=O)NCO 2230a_100000209980_100000185155 [0,2,0,0,0,0|2,0,0]=4 5280 B10R0.1 COCCOCC(=O)CCO 1458a_100000211095_100000211926 [0,2,0,0,0,0|1,0,1]=4 5281 B10R0.1 COCCOCC(=O)NCO 34a_100000210237_100000185155 [0,2,0,0,0,0|2,0,0]=4 5282 B10R0.1 COCCSCC(=O)NCO 62a_100000185155_100000233755 [0,2,0,0,0,0|2,0,0]=4 5283 B10R0.1 COCCSCC(=O)NCO 62a_100000233755_100000185155 [0,2,0,0,0,0|2,0,0]=4 5284 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [0,2,0,0,0,0|1,0,1]=4 5285 B10R0.1 CSCCNCC(=O)NCO 2230a_100020590264_100000185155 [0,2,0,0,0,0|2,0,0]=4 5286 B10R0.1 CSCCOCC(=O)NCO 34a_100000230434_100000185155 [0,2,0,0,0,0|2,0,0]=4 5287 B10R0.1 CSCCOCC(=O)NCO 7a_100000230434_100000185155 [0,2,0,0,0,0|2,0,0]=4 5288 B10R0.1 CSCCSCC(=O)NCO 62a_100000185155_100000751147 [0,2,0,0,0,0|2,0,0]=4 5289 B10R0.1 CSCCSCC(=O)NCO 62a_100000212216_100000185155 [0,2,0,0,0,0|2,0,0]=4 5290 B10R0.1 N#CCCCCC(=O)CCO 1458a_100011216618_100000211819 [0,2,0,0,0,0|0,0,2]=4 5291 B10R0.1 NCCCOCC(=O)NCO 34a_100000182051_100000185155 [0,2,0,0,0,0|2,0,0]=4 5292 B10R0.1 O=C(C=CBr)CCCCCF 1458a_100016273825_100000729378 [0,2,0,0,0,0|1,0,1]=4 5293 B10R0.1 O=C(C=CBr)CCCCCO 1458a_100016273825_100000746330 [0,2,0,0,0,0|1,0,1]=4 5294 B10R0.1 O=C(C=CCl)CCCCCF 1458a_200016279998_100000729378 [0,2,0,0,0,0|1,0,1]=4 5295 B10R0.1 O=C(C=CCl)CCCCCO 1458a_200016279998_100000746330 [0,2,0,0,0,0|1,0,1]=4 5296 B10R0.1 O=C(C=CI)CCCCCF 1458a_100016256311_100000729378 [0,2,0,0,0,0|1,0,1]=4 5297 B10R0.1 O=C(C=CI)CCCCCO 1458a_100016256311_100000746330 [0,2,0,0,0,0|1,0,1]=4 5298 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [0,2,0,0,0,0|1,0,1]=4 5299 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,2,0,0,0,0|0,0,1]=3 5300 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,2,0,0,0,0|0,0,1]=3 5301 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,2,0,0,0,0|0,0,1]=3 5302 B10R0.1 O=C(CCO)CCOCCO 1458a_100011216618_100011215305 [0,2,0,0,0,0|1,0,1]=4 5303 B10R0.1 O=C(CCO)CCOCCO 1458a_100011229844_100000211926 [0,2,0,0,0,0|1,0,1]=4 5304 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [0,2,0,0,0,0|1,0,1]=4 5305 B10R0.1 O=C(CNCCCF)NCO 2230a_100015189416_100000185155 [0,2,0,0,0,0|2,0,0]=4 5306 B10R0.1 O=C(CNCCCF)NCO 34a_100015189416_100000185155 [0,2,0,0,0,0|2,0,0]=4 5307 B10R0.1 O=C(COCCCBr)NCO 34a_100011217188_100000185155 [0,2,0,0,0,0|2,0,0]=4 5308 B10R0.1 O=C(COCCCCl)NCO 34a_100000230001_100000185155 [0,2,0,0,0,0|2,0,0]=4 5309 B10R0.1 O=C(COCCCF)NCO 34a_100000759539_100000185155 [0,2,0,0,0,0|2,0,0]=4 5310 B10R0.1 O=C(CSCCCF)NCO 62a_100000185155_100011934791 [0,2,0,0,0,0|2,0,0]=4 5311 B10R0.1 O=C(CSCCCF)NCO 62a_100011934791_100000185155 [0,2,0,0,0,0|2,0,0]=4 5312 B10R0.1 O=C(CSCCCO)NCO 62a_100000185155_100011215043 [0,2,0,0,0,0|2,0,0]=4 5313 B10R0.1 O=C(CSCCCO)NCO 62a_100011215043_100000185155 [0,2,0,0,0,0|2,0,0]=4 5314 B10R0.2 C=C(CCC)CC(=O)CCO 1458a_100000138376_100000211926 [0,2,0,0,0,0|0,0,2]=4 5315 B10R0.2 CC=CC(=O)CC(C)CCC 1458a_100000210699_100011216630 [0,2,0,0,0,0|1,0,1]=4 5316 B10R0.2 CCCC(=O)CC(=O)CCO 1458a_100011216618_100000747444 [0,2,0,0,0,0|0,0,2]=4 5317 B10R0.2 CCCC(=O)CC(=O)NCO 1458a_100000211992_100000185155 [0,2,0,0,0,0|1,0,1]=4 5318 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,2,0,0,0,0|1,0,1]=4 5319 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,2,0,0,0,0|1,0,1]=4 5320 B10R0.2 CCCC(C)CC(=O)C=CBr 1458a_100016273825_100011216630 [0,2,0,0,0,0|1,0,1]=4 5321 B10R0.2 CCCC(C)CC(=O)C=CCl 1458a_200016279998_100011216630 [0,2,0,0,0,0|1,0,1]=4 5322 B10R0.2 CCCC(C)CC(=O)C=CI 1458a_100016256311_100011216630 [0,2,0,0,0,0|1,0,1]=4 5323 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [0,2,0,0,0,0|1,0,1]=4 5324 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [0,2,0,0,0,0|0,0,1]=3 5325 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [0,2,0,0,0,0|0,0,1]=3 5326 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,2,0,0,0,0|2,0,0]=4 5327 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,2,0,0,0,0|2,0,0]=4 5328 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,2,0,0,0,0|2,0,0]=4 5329 B10R0.2 CCCC(C)CN(C)CCO 2230a_100000210263_100011216630 [0,2,0,0,0,0|1,0,1]=4 5330 B10R0.2 CCCC(C)CN(C)CCO 269982a_100000210263_100011216630 [0,2,0,0,0,0|1,0,1]=4 5331 B10R0.2 CCCC(C)CN(C)CCO 270004a_100000210263_100000243154 [0,2,0,0,0,0|1,0,1]=4 5332 B10R0.2 CCCC(C)NC(=O)CCO 240690a_100000741246_100011216618 [0,2,0,0,0,0|1,0,1]=4 5333 B10R0.2 CCCN(C)CC(=O)NCO 2230a_100000747261_100000185155 [0,2,0,0,0,0|2,0,0]=4 5334 B10R0.2 CCCN(C)CC(=O)NCO 269982a_100000747261_100000185155 [0,2,0,0,0,0|2,0,0]=4 5335 B10R0.2 CCCS(=O)CC(=O)CCO 1458a_100011387404_100000211926 [0,2,0,0,0,0|1,0,1]=4 5336 B10R0.2 CCSC(C)CC(=O)CCO 1458a_200011311441_100000211926 [0,2,0,0,0,0|1,0,1]=4 5337 B10R0.19 CC/C=C(\C)/C(=O)CCCC 1458a_100016988807_100000210211 [0,2,0,0,0,0|1,0,1]=4 5338 B10R0.19 CC=CC(=O)C(C)CCCC 1458a_100000210699_200011215066 [0,2,0,0,0,0|1,0,1]=4 5339 B10R0.19 CCC=CC(=O)C(C)CCC 1458a_100000212282_100000766640 [0,2,0,0,0,0|1,0,1]=4 5340 B10R0.19 CCCC(C)C(C)NCCO 270004a_100000210304_100011216282 [0,2,0,0,0,0|1,0,1]=4 5341 B10R0.19 CCCC(C)C(C)OCCO 34a_100000708338_100000211926 [0,2,0,0,0,0|1,0,1]=4 5342 B10R0.19 CCCC(C)C(C)OCCO 7a_100000708338_100000211926 [0,2,0,0,0,0|1,0,1]=4 5343 B10R0.19 CCCCC(C)C(=O)C=CBr 1458a_100016273825_200011215066 [0,2,0,0,0,0|1,0,1]=4 5344 B10R0.19 CCCCC(C)C(=O)C=CCl 1458a_200016279998_200011215066 [0,2,0,0,0,0|1,0,1]=4 5345 B10R0.19 CCCCC(C)C(=O)C=CI 1458a_100016256311_200011215066 [0,2,0,0,0,0|1,0,1]=4 5346 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [0,2,0,0,0,0|1,0,1]=4 5347 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [0,2,0,0,0,0|1,0,1]=4 5348 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [0,2,0,0,0,0|1,0,1]=4 5349 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [0,2,0,0,0,0|0,0,1]=3 5350 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [0,2,0,0,0,0|0,0,1]=3 5351 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [0,2,0,0,0,0|2,0,0]=4 5352 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [0,2,0,0,0,0|2,0,0]=4 5353 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [0,2,0,0,0,0|2,0,0]=4 5354 B10R0.19 CCCCC(C)N(C)CCO 2230a_100000210263_200011215066 [0,2,0,0,0,0|1,0,1]=4 5355 B10R0.19 CCCCC(C)N(C)CCO 269982a_100000210263_200011215066 [0,2,0,0,0,0|1,0,1]=4 5356 B10R0.19 CCCCC(C)N(C)CCO 270004a_100000210263_100000210087 [0,2,0,0,0,0|1,0,1]=4 5357 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [0,2,0,0,0,0|1,0,1]=4 5358 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [0,2,0,0,0,0|1,0,1]=4 5359 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [0,2,0,0,0,0|0,0,1]=3 5360 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [0,2,0,0,0,0|2,0,0]=4 5361 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [0,2,0,0,0,0|2,0,0]=4 5362 B10R0.19 CCCCN(C)C(=O)CCO 240690a_100000207549_100011216618 [0,2,0,0,0,0|1,0,1]=4 5363 B10R0.19 CSCCC(O)C(=O)CCO 1458a_100000685904_100000211926 [0,2,0,0,0,0|1,0,1]=4 5364 B10R0.24 CC/C=C\CN(CC)CCC 2230a_100000226822_100103147603 [0,2,0,0,0,0|2,0,0]=4 5365 B10R0.24 CC/C=C\CN(CC)CCC 269982a_100000226822_100103147603 [0,2,0,0,0,0|2,0,0]=4 5366 B10R0.24 CCCCCN(CC)CCO 2230a_100000210973_100000210326 [0,2,0,0,0,0|1,0,1]=4 5367 B10R0.24 CCCCCN(CC)CCO 2230a_100000224656_100000210202 [0,2,0,0,0,0|1,0,1]=4 5368 B10R0.24 CCCCCN(CC)CCO 269982a_100000210973_100000210215 [0,2,0,0,0,0|1,0,1]=4 5369 B10R0.24 CCCCCN(CC)CCO 269982a_100000224656_100000204670 [0,2,0,0,0,0|1,0,1]=4 5370 B10R0.24 CCCCCN(CF)CCO 269982a_100000224656_100015361967 [0,2,0,0,0,0|1,0,1]=4 5371 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [0,2,0,0,0,0|1,0,1]=4 5372 B10R0.83 C=C(CO)C(=O)NNCCC 22a_100000740057_200000705526 [0,2,0,0,0,0|2,0,0]=4 5373 B10R0.83 CC/C=C/CC(=O)C(C)CC 1458a_100016274230_100000758301 [0,2,0,0,0,0|1,0,1]=4 5374 B10R0.83 CC/C=C\CC(=O)C(C)CC 1458a_100011192722_100103147603 [0,2,0,0,0,0|1,0,1]=4 5375 B10R0.83 CC/C=C\CC(=O)C(O)CC 1458a_100011196387_100103147603 [0,2,0,0,0,0|1,0,1]=4 5376 B10R0.83 CC/C=C\CN(C)C(C)CC 2230a_100000741768_100103147603 [0,2,0,0,0,0|2,0,0]=4 5377 B10R0.83 CC/C=C\CN(C)C(C)CC 269982a_100000741768_100103147603 [0,2,0,0,0,0|2,0,0]=4 5378 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [0,2,0,0,0,0|2,0,0]=4 5379 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [0,2,0,0,0,0|1,0,1]=4 5380 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [0,2,0,0,0,0|1,0,1]=4 5381 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,2,0,0,0,0|1,0,1]=4 5382 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [0,2,0,0,0,0|0,0,1]=3 5383 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 5384 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 5385 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 5386 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 5387 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,2,0,0,0,0|1,0,1]=4 5388 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,2,0,0,0,0|1,0,1]=4 5389 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,2,0,0,0,0|1,0,1]=4 5390 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,2,0,0,0,0|0,0,1]=3 5391 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 5392 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 5393 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 5394 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 5395 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [0,2,0,0,0,0|1,0,0]=3 5396 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [0,2,0,0,0,0|1,0,0]=3 5397 B10R0.83 CCCCCN(C)C(C)CO 2230a_100000223495_100012180447 [0,2,0,0,0,0|1,0,1]=4 5398 B10R0.83 CCCCCN(C)C(C)CO 2230a_100000693034_100000210326 [0,2,0,0,0,0|1,0,1]=4 5399 B10R0.83 CCCCCN(C)C(C)CO 269982a_100000693034_100000210215 [0,2,0,0,0,0|1,0,1]=4 5400 B10R0.83 CCCCCN(C)[C@H](C)CO 269982a_100000223495_100016084084 [0,2,0,0,0,0|1,0,1]=4 5401 B10R0.83 CCCCNC(=O)C(O)CO 240690a_100000102301_100011215603 [0,2,0,0,0,0|1,0,1]=4 5402 B10R0.83 CCOCCC(=O)C(O)CO 1458a_100011215603_100011215890 [0,2,0,0,0,0|1,0,1]=4 5403 B10R0.83 CCSCCC(=O)C(O)CO 1458a_100011215603_100000757381 [0,2,0,0,0,0|1,0,1]=4 5404 B10R0.83 CN(CCCCO)C(=O)CO 240690a_100000717598_100000210174 [0,2,0,0,0,0|2,0,0]=4 5405 B10R0.83 COCCCC(=O)C(O)CO 1458a_100011215603_100000740836 [0,2,0,0,0,0|1,0,1]=4 5406 B10R0.83 COCCCN(C)C(=O)CO 240690a_100000224831_100000210174 [0,2,0,0,0,0|2,0,0]=4 5407 B10R0.83 COCCCN(C)C(=O)CO 527a_100000224831_100000210174 [0,2,0,0,0,0|2,0,0]=4 5408 B10R0.83 O=C(CCCCF)C(O)CO 1458a_100011215603_100000729493 [0,2,0,0,0,0|1,0,1]=4 5409 B10R0.83 O=C(CCCCO)C(O)CO 1458a_100011215603_100000210776 [0,2,0,0,0,0|1,0,1]=4 5410 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [0,2,0,0,0,0|1,0,1]=4 5411 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [0,2,0,0,0,0|1,0,1]=4 5412 B10R0.91 C#CCNC(=O)CCCCC 11a_100000212058_100000212188 [0,2,0,0,0,0|2,0,0]=4 5413 B10R0.91 C#CCNC(=O)CCCCC 1626a_100000212058_100000212188 [0,2,0,0,0,0|2,0,0]=4 5414 B10R0.91 C#CCNC(=O)CCCCC 240690a_100000212058_100000212188 [0,2,0,0,0,0|2,0,0]=4 5415 B10R0.91 C#CCNC(=O)CCCCC 527a_100000212058_100000212188 [0,2,0,0,0,0|2,0,0]=4 5416 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [0,2,0,0,0,0|1,0,1]=4 5417 B10R0.91 C=C(COCCC)OCOC 34a_100000210258_100000042856 [0,2,0,0,0,0|2,0,0]=4 5418 B10R0.91 C=C(CSCCC)OCOC 62a_100000042856_100000210303 [0,2,0,0,0,0|2,0,0]=4 5419 B10R0.91 C=C(CSCCC)OCOC 62a_100000210303_100000042856 [0,2,0,0,0,0|2,0,0]=4 5420 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [0,2,0,0,0,0|1,0,1]=4 5421 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,2,0,0,0,0|1,0,1]=4 5422 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,2,0,0,0,0|1,0,1]=4 5423 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [0,2,0,0,0,0|2,0,0]=4 5424 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [0,2,0,0,0,0|2,0,0]=4 5425 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [0,2,0,0,0,0|2,0,0]=4 5426 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [0,2,0,0,0,0|1,0,0]=3 5427 B10R0.91 CC/C=C/CC(=O)CCCF 1458a_100016274230_100011934791 [0,2,0,0,0,0|1,0,1]=4 5428 B10R0.91 CC/C=C/CC(=O)CCCO 1458a_100016274230_100011215043 [0,2,0,0,0,0|1,0,1]=4 5429 B10R0.91 CC/C=C/CC(=O)CCOC 1458a_100016274230_100000233755 [0,2,0,0,0,0|1,0,1]=4 5430 B10R0.91 CC/C=C/CC(=O)CCSC 1458a_100016274230_100000751147 [0,2,0,0,0,0|1,0,1]=4 5431 B10R0.91 CC/C=C/CC(=O)NCCC 11a_100020643023_100016274230 [0,2,0,0,0,0|1,0,1]=4 5432 B10R0.91 CC/C=C/CC(=O)NCCC 1626a_100020643023_100016274230 [0,2,0,0,0,0|1,0,1]=4 5433 B10R0.91 CC/C=C/CC(=O)NCCC 240690a_100020643023_100016274230 [0,2,0,0,0,0|1,0,1]=4 5434 B10R0.91 CC/C=C/CC(=O)NCCC 527a_100020643023_100016274230 [0,2,0,0,0,0|1,0,1]=4 5435 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [0,2,0,0,0,0|1,0,0]=3 5436 B10R0.91 CC/C=C\CC(=O)CCOC 1458a_100000749529_100103147603 [0,2,0,0,0,0|1,0,1]=4 5437 B10R0.91 CC/C=C\CC(=O)CCSC 1458a_100000174002_100103147603 [0,2,0,0,0,0|1,0,1]=4 5438 B10R0.91 CC/C=C\CC(=O)COCC 1458a_100000211967_100103147603 [0,2,0,0,0,0|1,0,1]=4 5439 B10R0.91 CC/C=C\CC(=O)CSCC 1458a_100000230394_100103147603 [0,2,0,0,0,0|1,0,1]=4 5440 B10R0.91 CC/C=C\CN(C)CCCC 2230a_100000207549_100103147603 [0,2,0,0,0,0|1,0,0]=3 5441 B10R0.91 CC/C=C\CN(C)CCCC 269982a_100000207549_100103147603 [0,2,0,0,0,0|1,0,0]=3 5442 B10R0.91 CC/C=C\CN(C)CCCO 2230a_100000213112_100103147603 [0,2,0,0,0,0|2,0,0]=4 5443 B10R0.91 CC/C=C\CN(C)CCCO 269982a_100000213112_100103147603 [0,2,0,0,0,0|2,0,0]=4 5444 B10R0.91 CC/C=C\CN(C)CCOC 2230a_100000743101_100103147603 [0,2,0,0,0,0|2,0,0]=4 5445 B10R0.91 CC/C=C\CN(C)CCOC 269982a_100000743101_100103147603 [0,2,0,0,0,0|2,0,0]=4 5446 B10R0.91 CC/C=C\CN(C)CCSC 2230a_100000686725_100103147603 [0,2,0,0,0,0|2,0,0]=4 5447 B10R0.91 CC/C=C\CN(C)CCSC 269982a_100000686725_100103147603 [0,2,0,0,0,0|2,0,0]=4 5448 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [0,2,0,0,0,0|1,0,1]=4 5449 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [0,2,0,0,0,0|1,0,1]=4 5450 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [0,2,0,0,0,0|1,0,1]=4 5451 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,2,0,0,0,0|1,0,0]=3 5452 B10R0.91 CCC=CC(=O)CCCCF 1458a_100000212282_100000729493 [0,2,0,0,0,0|1,0,1]=4 5453 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [0,2,0,0,0,0|1,0,1]=4 5454 B10R0.91 CCC=CC(=O)CCCOC 1458a_100000212282_100000740836 [0,2,0,0,0,0|1,0,1]=4 5455 B10R0.91 CCC=CC(=O)CCOCC 1458a_100000212282_100011215890 [0,2,0,0,0,0|1,0,1]=4 5456 B10R0.91 CCC=CC(=O)CCSCC 1458a_100000212282_100000757381 [0,2,0,0,0,0|1,0,1]=4 5457 B10R0.91 CCC=CC(=O)NCCCC 11a_100000102301_100000212282 [0,2,0,0,0,0|1,0,1]=4 5458 B10R0.91 CCC=CC(=O)NCCCC 1626a_100000102301_100000212282 [0,2,0,0,0,0|1,0,1]=4 5459 B10R0.91 CCC=CC(=O)NCCCC 240690a_100000102301_100000212282 [0,2,0,0,0,0|1,0,1]=4 5460 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [0,2,0,0,0,0|1,0,1]=4 5461 B10R0.91 CCCCC(=O)C=CCOC 1458a_100016285016_100000210211 [0,2,0,0,0,0|0,0,1]=3 5462 B10R0.91 CCCCC(=O)C=COCC 1458a_100016266692_100000210211 [0,2,0,0,0,0|1,0,1]=4 5463 B10R0.91 CCCCC(=O)CC#CCO 1458a_100000210183_200000047223 [0,2,0,0,0,0|0,0,2]=4 5464 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [0,2,0,0,0,0|0,0,2]=4 5465 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [0,2,0,0,0,0|0,0,2]=4 5466 B10R0.91 CCCCC(=O)COCCO 1458a_100000708028_100000210211 [0,2,0,0,0,0|1,0,1]=4 5467 B10R0.91 CCCCC(C)COCCO 34a_100011995851_100000211926 [0,2,0,0,0,0|0,0,2]=4 5468 B10R0.91 CCCCC(C)COCCO 7a_100011995851_100000211926 [0,2,0,0,0,0|0,0,2]=4 5469 B10R0.91 CCCCC(C)NCCCO 2230a_100000126638_100000230001 [0,2,0,0,0,0|0,0,2]=4 5470 B10R0.91 CCCCC(C)NCCCO 270004a_100000182051_100000210087 [0,2,0,0,0,0|0,0,2]=4 5471 B10R0.91 CCCCC(C)NCCOC 2230a_100000126638_100011201679 [0,2,0,0,0,0|1,0,1]=4 5472 B10R0.91 CCCCC(C)NCCOC 2230a_100000209980_200011215066 [0,2,0,0,0,0|1,0,1]=4 5473 B10R0.91 CCCCC(C)NCCOC 270004a_100000209980_100000210087 [0,2,0,0,0,0|1,0,1]=4 5474 B10R0.91 CCCCC(C)OCCCO 34a_100000687866_100000230001 [0,2,0,0,0,0|0,0,2]=4 5475 B10R0.91 CCCCC(C)OCCCO 7a_100000687866_100011215043 [0,2,0,0,0,0|0,0,2]=4 5476 B10R0.91 CCCCC(C)OCCOC 34a_100000210237_200011215066 [0,2,0,0,0,0|1,0,1]=4 5477 B10R0.91 CCCCC(C)OCCOC 34a_100000687866_100011201679 [0,2,0,0,0,0|1,0,1]=4 5478 B10R0.91 CCCCC(C)OCCOC 7a_100000687866_100000233755 [0,2,0,0,0,0|1,0,1]=4 5479 B10R0.91 CCCCC(C)OCCON 34a_100000700252_200011215066 [0,2,0,0,0,0|1,0,1]=4 5480 B10R0.91 CCCCC(C)SCCCO 62a_100011215043_200011215066 [0,2,0,0,0,0|0,0,2]=4 5481 B10R0.91 CCCCC(C)SCCCO 62a_200011215066_100011215043 [0,2,0,0,0,0|0,0,2]=4 5482 B10R0.91 CCCCC(C)SCCOC 62a_100000233755_200011215066 [0,2,0,0,0,0|1,0,1]=4 5483 B10R0.91 CCCCC(C)SCCOC 62a_200011215066_100000233755 [0,2,0,0,0,0|1,0,1]=4 5484 B10R0.91 CCCCCC(=NNCC)C 4a_100000756455_100000211708 [0,2,0,0,0,0|2,0,0]=4 5485 B10R0.91 CCCCCC(=O)C#CCO 1458a_100000049017_100000210326 [0,2,0,0,0,0|0,0,1]=3 5486 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [0,2,0,0,0,0|0,0,1]=3 5487 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [0,2,0,0,0,0|1,0,1]=4 5488 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [0,2,0,0,0,0|1,0,1]=4 5489 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [0,2,0,0,0,0|1,0,1]=4 5490 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [0,2,0,0,0,0|1,0,1]=4 5491 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [0,2,0,0,0,0|1,0,1]=4 5492 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [0,2,0,0,0,0|0,0,1]=3 5493 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,2,0,0,0,0|0,0,1]=3 5494 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,2,0,0,0,0|0,0,1]=3 5495 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [0,2,0,0,0,0|0,1,1]=4 5496 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [0,2,0,0,0,0|0,1,1]=4 5497 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [0,2,0,0,0,0|1,0,1]=4 5498 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [0,2,0,0,0,0|1,0,1]=4 5499 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [0,2,0,0,0,0|1,0,1]=4 5500 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [0,2,0,0,0,0|1,0,1]=4 5501 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [0,2,0,0,0,0|1,0,1]=4 5502 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [0,2,0,0,0,0|1,0,1]=4 5503 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [0,2,0,0,0,0|1,0,1]=4 5504 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [0,2,0,0,0,0|1,0,1]=4 5505 B10R0.91 CCCCCC(=O)NCC#N 1626a_100000734998_100000212188 [0,2,0,0,0,0|2,0,0]=4 5506 B10R0.91 CCCCCC(=O)NCC#N 527a_100000734998_100000212188 [0,2,0,0,0,0|2,0,0]=4 5507 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [0,2,0,0,0,0|1,0,1]=4 5508 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [0,2,0,0,0,0|1,0,1]=4 5509 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [0,2,0,0,0,0|1,0,1]=4 5510 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [0,2,0,0,0,0|1,0,1]=4 5511 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [0,2,0,0,0,0|1,0,1]=4 5512 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [0,2,0,0,0,0|1,0,1]=4 5513 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [0,2,0,0,0,0|1,0,1]=4 5514 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [0,2,0,0,0,0|1,0,1]=4 5515 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [0,2,0,0,0,0|0,0,1]=3 5516 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [0,2,0,0,0,0|0,0,1]=3 5517 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [0,2,0,0,0,0|2,0,0]=4 5518 B10R0.91 CCCCCC(C)NCCO 2230a_100000211957_100000211926 [0,2,0,0,0,0|0,0,2]=4 5519 B10R0.91 CCCCCC(C)NCCO 2230a_100016997473_200011218191 [0,2,0,0,0,0|0,0,2]=4 5520 B10R0.91 CCCCCC(C)NCCO 270004a_100000210304_100000211708 [0,2,0,0,0,0|0,0,2]=4 5521 B10R0.91 CCCCCC(C)NCCO 34a_100016990907_200011218191 [0,2,0,0,0,0|0,0,2]=4 5522 B10R0.91 CCCCCC(C)NCOC 2230a_100000211957_100000766300 [0,2,0,0,0,0|1,0,1]=4 5523 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [0,2,0,0,0,0|0,0,2]=4 5524 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [0,2,0,0,0,0|0,0,2]=4 5525 B10R0.91 CCCCCC(C)SCCO 62a_100000211926_200011218191 [0,2,0,0,0,0|0,0,2]=4 5526 B10R0.91 CCCCCC(C)SCCO 62a_200011218191_100000211926 [0,2,0,0,0,0|0,0,2]=4 5527 B10R0.91 CCCCCC(C)SCOC 62a_100000766300_200011218191 [0,2,0,0,0,0|1,0,1]=4 5528 B10R0.91 CCCCCC(C)SCOC 62a_200011218191_100000766300 [0,2,0,0,0,0|1,0,1]=4 5529 B10R0.91 CCCCCN(C)CCCO 2230a_100000213112_100000210326 [0,2,0,0,0,0|0,0,2]=4 5530 B10R0.91 CCCCCN(C)CCCO 2230a_100000223495_100000230001 [0,2,0,0,0,0|0,0,2]=4 5531 B10R0.91 CCCCCN(C)CCCO 269982a_100000213112_100000210215 [0,2,0,0,0,0|0,0,2]=4 5532 B10R0.91 CCCCCN(C)CCCO 269982a_100000223495_100011215043 [0,2,0,0,0,0|0,0,2]=4 5533 B10R0.91 CCCCCN(C)CCOC 2230a_100000223495_100011201679 [0,2,0,0,0,0|1,0,1]=4 5534 B10R0.91 CCCCCN(C)CCOC 2230a_100000743101_100000210326 [0,2,0,0,0,0|1,0,1]=4 5535 B10R0.91 CCCCCN(C)CCOC 269982a_100000223495_100000233755 [0,2,0,0,0,0|1,0,1]=4 5536 B10R0.91 CCCCCN(C)CCOC 269982a_100000743101_100000210215 [0,2,0,0,0,0|1,0,1]=4 5537 B10R0.91 CCCCN(C)CC#CCO 2230a_100000207549_200000047223 [0,2,0,0,0,0|0,0,2]=4 5538 B10R0.91 CCCCN(C)CCCCO 2230a_100000207549_100000210776 [0,2,0,0,0,0|0,0,2]=4 5539 B10R0.91 CCCCN(C)CCCCO 2230a_100000717598_100000210211 [0,2,0,0,0,0|0,0,2]=4 5540 B10R0.91 CCCCN(C)CCCCO 2230a_200011216965_200000210301 [0,2,0,0,0,0|0,0,2]=4 5541 B10R0.91 CCCCN(C)CCCCO 269982a_100000207549_100000210776 [0,2,0,0,0,0|0,0,2]=4 5542 B10R0.91 CCCCN(C)CCCCO 269982a_100000717598_100000210211 [0,2,0,0,0,0|0,0,2]=4 5543 B10R0.91 CCCCN(C)CCCCO 269982a_200011216965_200000210301 [0,2,0,0,0,0|0,0,2]=4 5544 B10R0.91 CCCCN([13CH3])CCCCO 2230a_200011216965_200025704644 [0,2,0,0,0,0|0,0,2]=4 5545 B10R0.91 CCCCN([13CH3])CCCCO 269982a_200011216965_200025704644 [0,2,0,0,0,0|0,0,2]=4 5546 B10R0.91 CCCCNC(=O)C=COC 1626a_100000102301_100016268678 [0,2,0,0,0,0|1,0,1]=4 5547 B10R0.91 CCCCNC(=O)C=COC 240690a_100000102301_100016268678 [0,2,0,0,0,0|1,0,1]=4 5548 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [0,2,0,0,0,0|1,0,1]=4 5549 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [0,2,0,0,0,0|1,0,1]=4 5550 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [0,2,0,0,0,0|1,0,1]=4 5551 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [0,2,0,0,0,0|1,0,1]=4 5552 B10R0.91 CCCCNC(=O)NCCO 2708a_100000102301_100000210304 [0,2,0,0,0,0|1,0,1]=4 5553 B10R0.91 CCCCNC(=O)NCCO 273464a_100000102301_100000210304 [0,2,0,0,0,0|1,0,1]=4 5554 B10R0.91 CCCCNC(=O)NCCO 273464a_100000210304_100000102301 [0,2,0,0,0,0|1,0,1]=4 5555 B10R0.91 CCCCNC(=O)NCCO 512a_100000102301_100000210304 [0,2,0,0,0,0|1,0,1]=4 5556 B10R0.91 CCCC[C@H](N)COCCO 34a_100011934283_100000211926 [0,2,0,0,0,0|0,0,2]=4 5557 B10R0.91 CCCNC(=O)C=CCOC 11a_100020643023_100016285016 [0,2,0,0,0,0|1,0,1]=4 5558 B10R0.91 CCCNC(=O)C=CCOC 1626a_100020643023_100016285016 [0,2,0,0,0,0|1,0,1]=4 5559 B10R0.91 CCCNC(=O)C=CCOC 240690a_100020643023_100016285016 [0,2,0,0,0,0|1,0,1]=4 5560 B10R0.91 CCCNC[C@H](C)CCCO 2230a_100160569302_100000210303 [0,2,0,0,0,0|0,0,2]=4 5561 B10R0.91 CCCNC[C@H](C)CCCO 34a_100160569302_100000210303 [0,2,0,0,0,0|0,0,2]=4 5562 B10R0.91 CCCOC(C)CNCCO 2230a_100015185124_100000211926 [0,2,0,0,0,0|1,0,1]=4 5563 B10R0.91 CCCOC(C)CNCCO 34a_100015185124_100000211926 [0,2,0,0,0,0|1,0,1]=4 5564 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [0,2,0,0,0,0|1,0,1]=4 5565 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [0,2,0,0,0,0|1,0,1]=4 5566 B10R0.91 CCCOCC(=O)NCCO 240690a_100000210304_100000745993 [0,2,0,0,0,0|1,0,1]=4 5567 B10R0.91 CCCOCC(=O)NCCO 527a_100000210304_100000745993 [0,2,0,0,0,0|1,0,1]=4 5568 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [0,2,0,0,0,0|1,0,1]=4 5569 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [0,2,0,0,0,0|1,0,1]=4 5570 B10R0.91 CCCSCC(=O)NCCO 240690a_100000210304_100000217233 [0,2,0,0,0,0|1,0,1]=4 5571 B10R0.91 CCCSCC(=O)NCCO 527a_100000210304_100000217233 [0,2,0,0,0,0|1,0,1]=4 5572 B10R0.91 CCCSCC(C)NCCO 270004a_100000210304_100011343953 [0,2,0,0,0,0|1,0,1]=4 5573 B10R0.91 CCOCC(O)CNCCO 2230a_102515437182_100000211926 [0,2,0,0,0,0|1,0,1]=4 5574 B10R0.91 CCOCC(O)CNCCO 34a_102515437182_100000211926 [0,2,0,0,0,0|1,0,1]=4 5575 B10R0.91 CCOCCC(=O)C#CCO 1458a_100000049017_100011215890 [0,2,0,0,0,0|1,0,1]=4 5576 B10R0.91 CCOCCC(=O)C=COC 1458a_100016268678_100011215890 [0,2,0,0,0,0|1,0,1]=4 5577 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [0,2,0,0,0,0|1,0,1]=4 5578 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [0,2,0,0,0,0|1,0,1]=4 5579 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [0,2,0,0,0,0|1,0,1]=4 5580 B10R0.91 CCOCCC(=O)NCCO 240690a_100000210304_100000749530 [0,2,0,0,0,0|1,0,1]=4 5581 B10R0.91 CCOCCC(=O)NCCO 527a_100000210304_100000749530 [0,2,0,0,0,0|1,0,1]=4 5582 B10R0.91 CCOCCC(C)NCCO 270004a_100000210304_200011216536 [0,2,0,0,0,0|1,0,1]=4 5583 B10R0.91 CCSCCC(=O)C#CCO 1458a_100000049017_100000757381 [0,2,0,0,0,0|1,0,1]=4 5584 B10R0.91 CCSCCC(=O)C=COC 1458a_100016268678_100000757381 [0,2,0,0,0,0|1,0,1]=4 5585 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [0,2,0,0,0,0|1,0,1]=4 5586 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [0,2,0,0,0,0|1,0,1]=4 5587 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [0,2,0,0,0,0|1,0,1]=4 5588 B10R0.91 CCSCCC(=O)NCCO 240690a_100000210304_100000230768 [0,2,0,0,0,0|1,0,1]=4 5589 B10R0.91 CCSCCC(=O)NCCO 527a_100000210304_100000230768 [0,2,0,0,0,0|1,0,1]=4 5590 B10R0.91 COC=CC(=O)CCCCF 1458a_100016268678_100000729493 [0,2,0,0,0,0|1,0,1]=4 5591 B10R0.91 COC=CC(=O)CCCCO 1458a_100016268678_100000210776 [0,2,0,0,0,0|1,0,1]=4 5592 B10R0.91 COC=CC(=O)CCCOC 1458a_100016268678_100000740836 [0,2,0,0,0,0|1,0,1]=4 5593 B10R0.91 COCC=CC(=O)CCCF 1458a_100016285016_100011934791 [0,2,0,0,0,0|1,0,1]=4 5594 B10R0.91 COCC=CC(=O)CCCO 1458a_100016285016_100011215043 [0,2,0,0,0,0|1,0,1]=4 5595 B10R0.91 COCC=CC(=O)CCOC 1458a_100016285016_100000233755 [0,2,0,0,0,0|1,0,1]=4 5596 B10R0.91 COCC=CC(=O)CCSC 1458a_100016285016_100000751147 [0,2,0,0,0,0|1,0,1]=4 5597 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [0,2,0,0,0,0|1,0,1]=4 5598 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [0,2,0,0,0,0|1,0,1]=4 5599 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [0,2,0,0,0,0|1,0,1]=4 5600 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [0,2,0,0,0,0|1,0,1]=4 5601 B10R0.91 COCCCC(=O)C#CCO 1458a_100000049017_100000740836 [0,2,0,0,0,0|1,0,1]=4 5602 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [0,2,0,0,0,0|1,0,1]=4 5603 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [0,2,0,0,0,0|1,0,1]=4 5604 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [0,2,0,0,0,0|1,0,1]=4 5605 B10R0.91 COCCCC(=O)NCCO 240690a_100000210304_100000741012 [0,2,0,0,0,0|1,0,1]=4 5606 B10R0.91 COCCCC(=O)NCCO 527a_100000210304_100000741012 [0,2,0,0,0,0|1,0,1]=4 5607 B10R0.91 COCCCC(C)OCCO 34a_200011539412_100000211926 [0,2,0,0,0,0|1,0,1]=4 5608 B10R0.91 COCCCC(C)OCCO 7a_200011539412_100000211926 [0,2,0,0,0,0|1,0,1]=4 5609 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [0,2,0,0,0,0|1,0,1]=4 5610 B10R0.91 CSCCCC(=O)NCCO 240690a_100000210304_100000173376 [0,2,0,0,0,0|1,0,1]=4 5611 B10R0.91 CSCCCC(=O)NCCO 527a_100000210304_100000173376 [0,2,0,0,0,0|1,0,1]=4 5612 B10R0.91 CSCCCC(C)NCCO 270004a_100000210304_100011399439 [0,2,0,0,0,0|1,0,1]=4 5613 B10R0.91 CSCC[C@H](N)COCCO 34a_100011827619_100000211926 [0,2,0,0,0,0|1,0,1]=4 5614 B10R0.91 C[C@H](CCCO)CNCCO 2230a_100160569302_100000211926 [0,2,0,0,0,0|1,0,1]=4 5615 B10R0.91 C[C@H](CCCO)CNCCO 34a_100160569302_100000211926 [0,2,0,0,0,0|1,0,1]=4 5616 B10R0.91 O=C(C#CCO)CCCCF 1458a_100000049017_100000729493 [0,2,0,0,0,0|1,0,1]=4 5617 B10R0.91 O=C(C#CCO)CCCCO 1458a_100000049017_100000210776 [0,2,0,0,0,0|1,0,1]=4 5618 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [0,2,0,0,0,0|1,0,1]=4 5619 B10R0.108 CCC(C)CCC(=O)CCF 1458a_100000701222_100011217306 [0,2,0,0,0,0|1,0,1]=4 5620 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [0,2,0,0,0,0|0,0,1]=3 5621 B10R0.108 CCC(C)CNC(=O)CCO 240690a_100020588543_100011216618 [0,2,0,0,0,0|1,0,1]=4 5622 B10R0.108 CCC(C)NCC(=O)NCO 2230a_100000209981_100000185155 [0,2,0,0,0,0|2,0,0]=4 5623 B10R0.108 CCC(C)OCC(=O)NCO 7a_100000210228_100000185155 [0,2,0,0,0,0|2,0,0]=4 5624 B10R0.108 CCC(C)SCC(=O)NCO 62a_100000185155_100000758301 [0,2,0,0,0,0|2,0,0]=4 5625 B10R0.108 CCC(C)SCC(=O)NCO 62a_100000758301_100000185155 [0,2,0,0,0,0|2,0,0]=4 5626 B10R0.108 CCC(O)CNC(=O)CCO 240690a_100011218483_100011216618 [0,2,0,0,0,0|1,0,1]=4 5627 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,2,0,0,0,0|1,0,1]=4 5628 B10R0.108 CCCC(C)CN[C@H](C)CO 2230a_100000737577_100011216630 [0,2,0,0,0,0|1,0,1]=4 5629 B10R0.108 CCCC(C)CN[C@H](C)CO 270004a_100000737577_100000243154 [0,2,0,0,0,0|1,0,1]=4 5630 B10R0.108 CCCC(C)COC(C)CO 34a_100000688023_100012180447 [0,2,0,0,0,0|1,0,1]=4 5631 B10R0.108 CCCC(C)COC(C)CO 7a_100000688023_100012180447 [0,2,0,0,0,0|1,0,1]=4 5632 B10R0.108 CCCC(C)CSC(C)CO 62a_100012180447_100011216630 [0,2,0,0,0,0|1,0,1]=4 5633 B10R0.108 CCCC(C)CS[C@H](C)CO 62a_100011216630_100016084084 [0,2,0,0,0,0|1,0,1]=4 5634 B10R0.108 CCCC(C)CS[C@H](C)CO 62a_100016084084_100011216630 [0,2,0,0,0,0|1,0,1]=4 5635 B10R0.108 CCC[C@H](N)COC(C)CO 34a_100000732646_100012180447 [0,2,0,0,0,0|1,0,1]=4 5636 B10R0.108 CCN(C)CCC(=O)CCO 1458a_100000755305_100000211926 [0,2,0,0,0,0|1,0,1]=4 5637 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [0,2,0,0,0,0|2,0,0]=4 5638 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [0,2,0,0,0,0|2,0,0]=4 5639 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [0,2,0,0,0,0|2,0,0]=4 5640 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [0,2,0,0,0,0|2,0,0]=4 5641 B10R0.108 CCS(=O)CCC(=O)CCO 1458a_100011387550_100000211926 [0,2,0,0,0,0|1,0,1]=4 5642 B10R0.108 COCC(O)CNC(=O)CO 240690a_100000756049_100000210174 [0,2,0,0,0,0|2,0,0]=4 5643 B10R0.108 COCC(O)CNC(=O)CO 527a_100000756049_100000210174 [0,2,0,0,0,0|2,0,0]=4 5644 B10R0.156 CCCC(C)(C)COCCO 7a_100011995695_100000211926 [0,2,0,0,0,0|1,0,1]=4 5645 B10R0.16 C#CC(CCCC)OCCO 34a_200011217967_100000211926 [0,2,0,0,0,0|1,0,1]=4 5646 B10R0.16 C#CC(CCCC)OCCO 7a_200011217967_100000211926 [0,2,0,0,0,0|1,0,1]=4 5647 B10R0.16 C=CC(CCCC)OCCO 34a_200011215037_100000211926 [0,2,0,0,0,0|1,0,1]=4 5648 B10R0.16 C=CC(CCCC)OCCO 7a_200011215037_100000211926 [0,2,0,0,0,0|1,0,1]=4 5649 B10R0.16 CCCCC(CC)NCCO 270004a_100000210304_100000753412 [0,2,0,0,0,0|1,0,1]=4 5650 B10R0.16 CCCCC(CC)NCCO 34a_100016990907_200011216223 [0,2,0,0,0,0|1,0,1]=4 5651 B10R0.16 CCCCC(CC)OCCO 34a_100011215227_100000211926 [0,2,0,0,0,0|1,0,1]=4 5652 B10R0.16 CCCCC(CC)OCCO 7a_100011215227_100000211926 [0,2,0,0,0,0|1,0,1]=4 5653 B10R0.16 CCCCC(CC)SCCO 62a_100000211926_200011216223 [0,2,0,0,0,0|1,0,1]=4 5654 B10R0.16 CCCCC(CC)SCCO 62a_200011216223_100000211926 [0,2,0,0,0,0|1,0,1]=4 5655 B10R0.16 CCCC[C@@H](CO)NCCO 2230a_100011934283_100000211926 [0,2,0,0,0,0|1,0,1]=4 5656 B10R0.16 CCCC[C@@H](CO)NCCO 34a_100011934283_100000211926 [0,2,0,0,0,0|1,0,1]=4 5657 B10R0.18 CCC(C)CC(C)NCCO 2230a_100000763565_100000211926 [0,2,0,0,0,0|1,0,1]=4 5658 B10R0.18 CCC(C)CC(C)NCCO 270004a_100000210304_100011710205 [0,2,0,0,0,0|1,0,1]=4 5659 B10R0.18 CCC=CC(=O)CC(C)CC 1458a_100000212282_100000748023 [0,2,0,0,0,0|1,0,1]=4 5660 B10R0.18 CCC=CC(=O)CC(O)CC 1458a_100000212282_100011218378 [0,2,0,0,0,0|1,0,1]=4 5661 B10R0.18 CCC=CC(=O)C[C@@H](C)CC 1458a_100000212282_100009816398 [0,2,0,0,0,0|1,0,1]=4 5662 B10R0.18 CCCCC(=O)C=C(C)CC 1458a_100020758463_100000210211 [0,2,0,0,0,0|1,0,1]=4 5663 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [0,2,0,0,0,0|2,0,0]=4 5664 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [0,2,0,0,0,0|2,0,0]=4 5665 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [0,2,0,0,0,0|2,0,0]=4 5666 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [0,2,0,0,0,0|2,0,0]=4 5667 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [0,2,0,0,0,0|1,0,0]=3 5668 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [0,2,0,0,0,0|1,0,0]=3 5669 B10R0.18 CCCCC(C)NC(C)CO 2230a_100000126638_100012180447 [0,2,0,0,0,0|1,0,1]=4 5670 B10R0.18 CCCCC(C)N[C@H](C)CO 2230a_100000737577_200011215066 [0,2,0,0,0,0|1,0,1]=4 5671 B10R0.18 CCCCC(C)N[C@H](C)CO 270004a_100000737577_100000210087 [0,2,0,0,0,0|1,0,1]=4 5672 B10R0.18 CCCCC(C)OC(C)CO 34a_100000687866_100012180447 [0,2,0,0,0,0|1,0,1]=4 5673 B10R0.18 CCCCC(C)OC(C)CO 7a_100000687866_100012180447 [0,2,0,0,0,0|1,0,1]=4 5674 B10R0.18 CCCCC(C)SC(C)CO 62a_100012180447_200011215066 [0,2,0,0,0,0|1,0,1]=4 5675 B10R0.18 CCCCC(C)S[C@H](C)CO 62a_100016084084_200011215066 [0,2,0,0,0,0|1,0,1]=4 5676 B10R0.18 CCCCC(C)S[C@H](C)CO 62a_200011215066_100016084084 [0,2,0,0,0,0|1,0,1]=4 5677 B10R0.116 CCCCC(C)(C)OCCO 7a_100011219641_100000211926 [0,2,0,0,0,0|1,0,1]=4 5678 B10R0.71 C#CCCCCCNCCO 2230a_100016997473_100012094781 [0,2,0,0,0,0|1,0,1]=4 5679 B10R0.71 C#CCCCCCNCCO 34a_100016990907_100012094781 [0,2,0,0,0,0|1,0,1]=4 5680 B10R0.71 C#CCCCCCOCCO 34a_100000766912_100000211926 [0,2,0,0,0,0|1,0,1]=4 5681 B10R0.71 C#CCCCCCOCCO 7a_100000766912_100000211926 [0,2,0,0,0,0|1,0,1]=4 5682 B10R0.71 C#CCCCCCSCCO 62a_100000211926_100012094781 [0,2,0,0,0,0|1,0,1]=4 5683 B10R0.71 C#CCCCCCSCCO 62a_100012094781_100000211926 [0,2,0,0,0,0|1,0,1]=4 5684 B10R0.71 C#CCCCNC/C=C\CC 34a_100000718082_100103147603 [0,2,0,0,0,0|1,0,1]=4 5685 B10R0.71 C#CCCCOC/C=C\CC 34a_100000215630_100103147603 [0,2,0,0,0,0|1,0,1]=4 5686 B10R0.71 C#CCCCOC/C=C\CC 34a_100016268518_100000695029 [0,2,0,0,0,0|1,0,1]=4 5687 B10R0.71 C#CCCCOC/C=C\CC 7a_100000215630_100103147603 [0,2,0,0,0,0|1,0,1]=4 5688 B10R0.71 C#CCCCSC/C=C\CC 62a_100011215417_100103147603 [0,2,0,0,0,0|1,0,1]=4 5689 B10R0.71 C#CCCCSC/C=C\CC 62a_100103147603_100011215417 [0,2,0,0,0,0|1,0,1]=4 5690 B10R0.71 C#CCCNCC/C=C\CC 34a_100000755551_100015370543 [0,2,0,0,0,0|1,0,1]=4 5691 B10R0.71 C#CCCOCC/C=C\CC 34a_100011215631_100015370543 [0,2,0,0,0,0|1,0,1]=4 5692 B10R0.71 C#CCCOCC/C=C\CC 34a_100016288707_100000688953 [0,2,0,0,0,0|1,0,1]=4 5693 B10R0.71 C#CCCOCC/C=C\CC 7a_100016288707_100000688953 [0,2,0,0,0,0|1,0,1]=4 5694 B10R0.71 C#CCCSCC/C=C\CC 62a_100000688953_100015370543 [0,2,0,0,0,0|1,0,1]=4 5695 B10R0.71 C#CCCSCC/C=C\CC 62a_100015370543_100000688953 [0,2,0,0,0,0|1,0,1]=4 5696 B10R0.71 C#CCOCCC/C=C/CC 34a_100016287902_100000184674 [0,2,0,0,0,0|1,0,1]=4 5697 B10R0.71 C#CCOCCC/C=C/CC 7a_100016287902_100000038162 [0,2,0,0,0,0|1,0,1]=4 5698 B10R0.71 C/C=C/C=C/COCCCC 34a_100016283227_100000210210 [0,2,0,0,0,0|1,0,1]=4 5699 B10R0.71 C/C=C/CCOC/C=C\CC 34a_100016278192_100103147603 [0,2,0,0,0,0|1,0,1]=4 5700 B10R0.71 C/C=C/COCC/C=C\CC 34a_100016270725_100015370543 [0,2,0,0,0,0|1,0,1]=4 5701 B10R0.71 C/C=C/COCC/C=C\CC 34a_100016288707_100102629194 [0,2,0,0,0,0|1,0,1]=4 5702 B10R0.71 C/C=C/COCC/C=C\CC 7a_100016288707_100102629194 [0,2,0,0,0,0|1,0,1]=4 5703 B10R0.71 C/C=C/CSCC/C=C\CC 62a_100015370543_100102629194 [0,2,0,0,0,0|1,0,1]=4 5704 B10R0.71 C/C=C/CSCC/C=C\CC 62a_100102629194_100015370543 [0,2,0,0,0,0|1,0,1]=4 5705 B10R0.71 C=CCCC/C=C/COCC 34a_200016268473_100000210202 [0,2,0,0,0,0|0,0,2]=4 5706 B10R0.71 C=CCCC/C=C/COCC 7a_200016268473_100000210202 [0,2,0,0,0,0|0,0,2]=4 5707 B10R0.71 C=CCCC/C=C/COCF 34a_200016268473_100015361967 [0,2,0,0,0,0|0,0,2]=4 5708 B10R0.71 C=CCCC/C=C/COCF 7a_200016268473_100015361967 [0,2,0,0,0,0|0,0,2]=4 5709 B10R0.71 C=CCCCCCNCCO 2230a_100016997473_100000700193 [0,2,0,0,0,0|1,0,1]=4 5710 B10R0.71 C=CCCCCCNCCO 34a_100016990907_100000700193 [0,2,0,0,0,0|1,0,1]=4 5711 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [0,2,0,0,0,0|1,0,1]=4 5712 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [0,2,0,0,0,0|1,0,1]=4 5713 B10R0.71 C=CCCCCCSCCO 62a_100000211926_100000700193 [0,2,0,0,0,0|1,0,1]=4 5714 B10R0.71 C=CCCCCCSCCO 62a_100000700193_100000211926 [0,2,0,0,0,0|1,0,1]=4 5715 B10R0.71 C=CCCCNC/C=C\CC 2230a_100000700776_100103147603 [0,2,0,0,0,0|1,0,1]=4 5716 B10R0.71 C=CCCCNC/C=C\CC 34a_100000700776_100103147603 [0,2,0,0,0,0|1,0,1]=4 5717 B10R0.71 C=CCCCOC/C=C\CC 34a_100000758997_100103147603 [0,2,0,0,0,0|1,0,1]=4 5718 B10R0.71 C=CCCCOC/C=C\CC 34a_100016268518_100000757094 [0,2,0,0,0,0|1,0,1]=4 5719 B10R0.71 C=CCCCOC/C=C\CC 7a_100000758997_100103147603 [0,2,0,0,0,0|1,0,1]=4 5720 B10R0.71 C=CCCCSC/C=C\CC 62a_100011713584_100103147603 [0,2,0,0,0,0|1,0,1]=4 5721 B10R0.71 C=CCCCSC/C=C\CC 62a_100103147603_100000757094 [0,2,0,0,0,0|1,0,1]=4 5722 B10R0.71 C=CCCNCC/C=C\CC 2230a_100015191253_100015370543 [0,2,0,0,0,0|1,0,1]=4 5723 B10R0.71 C=CCCOCC/C=C\CC 34a_100011205117_100015370543 [0,2,0,0,0,0|1,0,1]=4 5724 B10R0.71 C=CCCOCC/C=C\CC 34a_100016288707_100000754431 [0,2,0,0,0,0|1,0,1]=4 5725 B10R0.71 C=CCCOCC/C=C\CC 7a_100016288707_100000754431 [0,2,0,0,0,0|1,0,1]=4 5726 B10R0.71 C=CCCSCC/C=C\CC 62a_100000754431_100015370543 [0,2,0,0,0,0|1,0,1]=4 5727 B10R0.71 C=CCCSCC/C=C\CC 62a_100015370543_100000754431 [0,2,0,0,0,0|1,0,1]=4 5728 B10R0.71 C=CCOCCC/C=C/CC 34a_100016287902_100015514636 [0,2,0,0,0,0|1,0,1]=4 5729 B10R0.71 C=CCOCCC/C=C/CC 7a_100016287902_100015514636 [0,2,0,0,0,0|1,0,1]=4 5730 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [0,2,0,0,0,0|1,0,1]=4 5731 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [0,2,0,0,0,0|1,0,1]=4 5732 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [0,2,0,0,0,0|1,0,1]=4 5733 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [0,2,0,0,0,0|1,0,1]=4 5734 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [0,2,0,0,0,0|1,0,1]=4 5735 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [0,2,0,0,0,0|1,0,1]=4 5736 B10R0.71 CC#CCCOC/C=C\CC 34a_100000750427_100103147603 [0,2,0,0,0,0|1,0,1]=4 5737 B10R0.71 CC#CCNCC/C=C\CC 2230a_100000685387_100015370543 [0,2,0,0,0,0|1,0,1]=4 5738 B10R0.71 CC#CCNCC/C=C\CC 34a_100000685387_100015370543 [0,2,0,0,0,0|1,0,1]=4 5739 B10R0.71 CC#CCOCC/C=C\CC 34a_100000761923_100015370543 [0,2,0,0,0,0|1,0,1]=4 5740 B10R0.71 CC#CCOCC/C=C\CC 34a_100016288707_100000748600 [0,2,0,0,0,0|1,0,1]=4 5741 B10R0.71 CC#CCOCC/C=C\CC 7a_100016288707_100000748600 [0,2,0,0,0,0|1,0,1]=4 5742 B10R0.71 CC#CCSCC/C=C\CC 62a_100000748600_100015370543 [0,2,0,0,0,0|1,0,1]=4 5743 B10R0.71 CC#CCSCC/C=C\CC 62a_100015370543_100000748600 [0,2,0,0,0,0|1,0,1]=4 5744 B10R0.71 CC/C=C/C/C=C/CCOC 34a_200016273837_200000210301 [0,2,0,0,0,0|0,0,2]=4 5745 B10R0.71 CC/C=C/C/C=C/CCOC 7a_200016273837_200000210301 [0,2,0,0,0,0|0,0,2]=4 5746 B10R0.71 CC/C=C/C/C=C/CCO[13CH3] 34a_200016273837_200025704644 [0,2,0,0,0,0|0,0,2]=4 5747 B10R0.71 CC/C=C/C/C=C/CCO[13CH3] 7a_200016273837_200025704644 [0,2,0,0,0,0|0,0,2]=4 5748 B10R0.71 CC/C=C/CC/C=C/COC 34a_100016264143_200000210301 [0,2,0,0,0,0|0,0,1]=3 5749 B10R0.71 CC/C=C/CC/C=C/COC 7a_100016264143_200000210301 [0,2,0,0,0,0|0,0,1]=3 5750 B10R0.71 CC/C=C/CC/C=C/CO[13CH3] 34a_100016264143_200025704644 [0,2,0,0,0,0|0,0,1]=3 5751 B10R0.71 CC/C=C/CC/C=C/CO[13CH3] 7a_100016264143_200025704644 [0,2,0,0,0,0|0,0,1]=3 5752 B10R0.71 CC/C=C/CCCOCC#N 7a_100016287902_100011215382 [0,2,0,0,0,0|1,0,1]=4 5753 B10R0.71 CC/C=C/CCCOCC=O 34a_100016287902_200009817547 [0,2,0,0,0,0|1,0,1]=4 5754 B10R0.71 CC/C=C/CCCOCC=O 7a_100016287902_200015260668 [0,2,0,0,0,0|1,0,1]=4 5755 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [0,2,0,0,0,0|1,0,0]=3 5756 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [0,2,0,0,0,0|1,0,0]=3 5757 B10R0.71 CC/C=C/CCCOCCF 34a_100016287902_100011217306 [0,2,0,0,0,0|1,0,0]=3 5758 B10R0.71 CC/C=C/CCCOCCF 7a_100016287902_100011217306 [0,2,0,0,0,0|1,0,0]=3 5759 B10R0.71 CC/C=C/CCCOCCO 34a_100016287902_100000211926 [0,2,0,0,0,0|1,0,0]=3 5760 B10R0.71 CC/C=C/CCCOCCO 7a_100016287902_100000211926 [0,2,0,0,0,0|1,0,0]=3 5761 B10R0.71 CC/C=C/CCCOCSC 34a_100016287902_100011218213 [0,2,0,0,0,0|1,0,0]=3 5762 B10R0.71 CC/C=C\CCC=NNCC 4a_100000756455_100016279218 [0,2,0,0,0,0|1,0,1]=4 5763 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [0,2,0,0,0,0|1,0,0]=3 5764 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [0,2,0,0,0,0|1,0,0]=3 5765 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [0,2,0,0,0,0|1,0,0]=3 5766 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [0,2,0,0,0,0|1,0,0]=3 5767 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [0,2,0,0,0,0|1,0,0]=3 5768 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [0,2,0,0,0,0|1,0,0]=3 5769 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [0,2,0,0,0,0|1,0,0]=3 5770 B10R0.71 CC/C=C\CCCCOCF 34a_100016287862_100015361967 [0,2,0,0,0,0|1,0,0]=3 5771 B10R0.71 CC/C=C\CCCCOCF 7a_100016287862_100015361967 [0,2,0,0,0,0|1,0,0]=3 5772 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [0,2,0,0,0,0|1,0,0]=3 5773 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [0,2,0,0,0,0|1,0,0]=3 5774 B10R0.71 CC/C=C\CCNCCCF 2230a_100015189416_100015370543 [0,2,0,0,0,0|1,0,0]=3 5775 B10R0.71 CC/C=C\CCNCCCF 34a_100015189416_100015370543 [0,2,0,0,0,0|1,0,0]=3 5776 B10R0.71 CC/C=C\CCNCCOC 2230a_100000209980_100015370543 [0,2,0,0,0,0|1,0,0]=3 5777 B10R0.71 CC/C=C\CCNCCSC 2230a_100020590264_100015370543 [0,2,0,0,0,0|1,0,0]=3 5778 B10R0.71 CC/C=C\CCOCCC#N 7a_100016288707_100000184422 [0,2,0,0,0,0|1,0,1]=4 5779 B10R0.71 CC/C=C\CCOCCCBr 34a_100011217188_100015370543 [0,2,0,0,0,0|1,0,0]=3 5780 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [0,2,0,0,0,0|1,0,0]=3 5781 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [0,2,0,0,0,0|1,0,0]=3 5782 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [0,2,0,0,0,0|1,0,0]=3 5783 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [0,2,0,0,0,0|1,0,0]=3 5784 B10R0.71 CC/C=C\CCOCCCCl 34a_100000230001_100015370543 [0,2,0,0,0,0|1,0,0]=3 5785 B10R0.71 CC/C=C\CCOCCCF 34a_100000759539_100015370543 [0,2,0,0,0,0|1,0,0]=3 5786 B10R0.71 CC/C=C\CCOCCCF 34a_100016288707_100011934791 [0,2,0,0,0,0|1,0,0]=3 5787 B10R0.71 CC/C=C\CCOCCCF 7a_100016288707_100011934791 [0,2,0,0,0,0|1,0,0]=3 5788 B10R0.71 CC/C=C\CCOCCCN 34a_100000182051_100015370543 [0,2,0,0,0,0|1,0,0]=3 5789 B10R0.71 CC/C=C\CCOCCCO 34a_100016288707_100000230001 [0,2,0,0,0,0|1,0,0]=3 5790 B10R0.71 CC/C=C\CCOCCCO 7a_100016288707_100011215043 [0,2,0,0,0,0|1,0,0]=3 5791 B10R0.71 CC/C=C\CCOCCOC 34a_100000210237_100015370543 [0,2,0,0,0,0|1,0,0]=3 5792 B10R0.71 CC/C=C\CCOCCOC 34a_100016288707_100011201679 [0,2,0,0,0,0|1,0,0]=3 5793 B10R0.71 CC/C=C\CCOCCOC 7a_100016288707_100000233755 [0,2,0,0,0,0|1,0,0]=3 5794 B10R0.71 CC/C=C\CCOCCON 34a_100000700252_100015370543 [0,2,0,0,0,0|2,0,0]=4 5795 B10R0.71 CC/C=C\CCOCCSC 34a_100000230434_100015370543 [0,2,0,0,0,0|1,0,0]=3 5796 B10R0.71 CC/C=C\CCOCCSC 34a_100016288707_100000212216 [0,2,0,0,0,0|1,0,0]=3 5797 B10R0.71 CC/C=C\CCOCCSC 7a_100000230434_100015370543 [0,2,0,0,0,0|1,0,0]=3 5798 B10R0.71 CC/C=C\CCOCCSC 7a_100016288707_100000212216 [0,2,0,0,0,0|1,0,0]=3 5799 B10R0.71 CC/C=C\CCSCCC#N 62a_100011215226_100015370543 [0,2,0,0,0,0|1,0,1]=4 5800 B10R0.71 CC/C=C\CCSCCC#N 62a_100015370543_100011215226 [0,2,0,0,0,0|1,0,1]=4 5801 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [0,2,0,0,0,0|1,0,0]=3 5802 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [0,2,0,0,0,0|1,0,0]=3 5803 B10R0.71 CC/C=C\CCSCCCF 62a_100011934791_100015370543 [0,2,0,0,0,0|1,0,0]=3 5804 B10R0.71 CC/C=C\CCSCCCF 62a_100015370543_100011934791 [0,2,0,0,0,0|1,0,0]=3 5805 B10R0.71 CC/C=C\CCSCCCO 62a_100011215043_100015370543 [0,2,0,0,0,0|1,0,0]=3 5806 B10R0.71 CC/C=C\CCSCCCO 62a_100015370543_100011215043 [0,2,0,0,0,0|1,0,0]=3 5807 B10R0.71 CC/C=C\CCSCCOC 62a_100000233755_100015370543 [0,2,0,0,0,0|1,0,0]=3 5808 B10R0.71 CC/C=C\CCSCCOC 62a_100015370543_100000233755 [0,2,0,0,0,0|1,0,0]=3 5809 B10R0.71 CC/C=C\CCSCCSC 62a_100000212216_100015370543 [0,2,0,0,0,0|1,0,0]=3 5810 B10R0.71 CC/C=C\CCSCCSC 62a_100015370543_100000751147 [0,2,0,0,0,0|1,0,0]=3 5811 B10R0.71 CC/C=C\CCSCOCC 62a_100000739092_100015370543 [0,2,0,0,0,0|1,0,0]=3 5812 B10R0.71 CC/C=C\CCSCOCC 62a_100015370543_100000739092 [0,2,0,0,0,0|1,0,0]=3 5813 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [0,2,0,0,0,0|1,0,0]=3 5814 B10R0.71 CC/C=C\CNCCCCO 2230a_100000750430_100103147603 [0,2,0,0,0,0|1,0,0]=3 5815 B10R0.71 CC/C=C\CNCCCCO 34a_100000750430_100103147603 [0,2,0,0,0,0|1,0,0]=3 5816 B10R0.71 CC/C=C\CNCCCOC 34a_100150723488_100103147603 [0,2,0,0,0,0|1,0,0]=3 5817 B10R0.71 CC/C=C\CNCCCSC 2230a_100000749238_100103147603 [0,2,0,0,0,0|1,0,0]=3 5818 B10R0.71 CC/C=C\CNCCOCC 2230a_102516460346_100103147603 [0,2,0,0,0,0|1,0,0]=3 5819 B10R0.71 CC/C=C\CNCCOCC 34a_102516460346_100103147603 [0,2,0,0,0,0|1,0,0]=3 5820 B10R0.71 CC/C=C\CNCCSCC 2230a_100000106463_100103147603 [0,2,0,0,0,0|1,0,0]=3 5821 B10R0.71 CC/C=C\COC/C=C\CC 34a_100016268518_100103147603 [0,2,0,0,0,0|1,0,1]=4 5822 B10R0.71 CC/C=C\COCCCCBr 34a_100011216708_100103147603 [0,2,0,0,0,0|1,0,0]=3 5823 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [0,2,0,0,0,0|1,0,0]=3 5824 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [0,2,0,0,0,0|1,0,0]=3 5825 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [0,2,0,0,0,0|1,0,0]=3 5826 B10R0.71 CC/C=C\COCCCCCl 34a_100000210776_100103147603 [0,2,0,0,0,0|1,0,0]=3 5827 B10R0.71 CC/C=C\COCCCCCl 7a_100000210776_100103147603 [0,2,0,0,0,0|1,0,0]=3 5828 B10R0.71 CC/C=C\COCCCCF 34a_100011995726_100103147603 [0,2,0,0,0,0|1,0,0]=3 5829 B10R0.71 CC/C=C\COCCCCF 34a_100016268518_100000729493 [0,2,0,0,0,0|1,0,0]=3 5830 B10R0.71 CC/C=C\COCCCCF 7a_100011995726_100103147603 [0,2,0,0,0,0|1,0,0]=3 5831 B10R0.71 CC/C=C\COCCCCI 34a_200012148704_100103147603 [0,2,0,0,0,0|1,0,0]=3 5832 B10R0.71 CC/C=C\COCCCCN 34a_100000750430_100103147603 [0,2,0,0,0,0|1,0,0]=3 5833 B10R0.71 CC/C=C\COCCCCO 34a_100016268518_100011216708 [0,2,0,0,0,0|1,0,0]=3 5834 B10R0.71 CC/C=C\COCCCNC 34a_100000213112_100103147603 [0,2,0,0,0,0|1,0,0]=3 5835 B10R0.71 CC/C=C\COCCCOC 34a_100000740835_100103147603 [0,2,0,0,0,0|1,0,0]=3 5836 B10R0.71 CC/C=C\COCCCOC 34a_100016268518_100000740836 [0,2,0,0,0,0|1,0,0]=3 5837 B10R0.71 CC/C=C\COCCCSC 34a_100000690336_100103147603 [0,2,0,0,0,0|1,0,0]=3 5838 B10R0.71 CC/C=C\COCCCSC 7a_100000690336_100103147603 [0,2,0,0,0,0|1,0,0]=3 5839 B10R0.71 CC/C=C\COCCOCC 34a_100000210136_100103147603 [0,2,0,0,0,0|1,0,0]=3 5840 B10R0.71 CC/C=C\COCCOCC 34a_100016268518_100000210147 [0,2,0,0,0,0|1,0,0]=3 5841 B10R0.71 CC/C=C\COCCOCC 7a_100000210136_100103147603 [0,2,0,0,0,0|1,0,0]=3 5842 B10R0.71 CC/C=C\COCCSCC 34a_100000212035_100103147603 [0,2,0,0,0,0|1,0,0]=3 5843 B10R0.71 CC/C=C\COCCSCC 34a_100016268518_100000757381 [0,2,0,0,0,0|1,0,0]=3 5844 B10R0.71 CC/C=C\COCCSCC 7a_100000212035_100103147603 [0,2,0,0,0,0|1,0,0]=3 5845 B10R0.71 CC/C=C\CSC/C=C\CC 62a_100103147603_100103147603 [0,2,0,0,0,0|1,0,1]=4 5846 B10R0.71 CC/C=C\CSCCCC#N 62a_100000687738_100103147603 [0,2,0,0,0,0|1,0,1]=4 5847 B10R0.71 CC/C=C\CSCCCC#N 62a_100103147603_100000687738 [0,2,0,0,0,0|1,0,1]=4 5848 B10R0.71 CC/C=C\CSCCCC=O 62a_100103147603_200011292268 [0,2,0,0,0,0|1,0,1]=4 5849 B10R0.71 CC/C=C\CSCCCC=O 62a_200011292268_100103147603 [0,2,0,0,0,0|1,0,1]=4 5850 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [0,2,0,0,0,0|1,0,0]=3 5851 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [0,2,0,0,0,0|1,0,0]=3 5852 B10R0.71 CC/C=C\CSCCCCF 62a_100000729493_100103147603 [0,2,0,0,0,0|1,0,0]=3 5853 B10R0.71 CC/C=C\CSCCCCF 62a_100103147603_100000729493 [0,2,0,0,0,0|1,0,0]=3 5854 B10R0.71 CC/C=C\CSCCCCO 62a_100000210776_100103147603 [0,2,0,0,0,0|1,0,0]=3 5855 B10R0.71 CC/C=C\CSCCCCO 62a_100103147603_100000210776 [0,2,0,0,0,0|1,0,0]=3 5856 B10R0.71 CC/C=C\CSCCCOC 62a_100000709357_100103147603 [0,2,0,0,0,0|1,0,0]=3 5857 B10R0.71 CC/C=C\CSCCCOC 62a_100103147603_100000709357 [0,2,0,0,0,0|1,0,0]=3 5858 B10R0.71 CC/C=C\CSCCOCC 62a_100000210147_100103147603 [0,2,0,0,0,0|1,0,0]=3 5859 B10R0.71 CC/C=C\CSCCOCC 62a_100103147603_100011215890 [0,2,0,0,0,0|1,0,0]=3 5860 B10R0.71 CC/C=C\CSCCSCC 62a_100000757381_100103147603 [0,2,0,0,0,0|1,0,0]=3 5861 B10R0.71 CC/C=C\CSCCSCC 62a_100103147603_100000757381 [0,2,0,0,0,0|1,0,0]=3 5862 B10R0.71 CC=CCOCC/C=C\CC 34a_100016288707_100000070051 [0,2,0,0,0,0|1,0,1]=4 5863 B10R0.71 CC=CCOCC/C=C\CC 7a_100016288707_100000070051 [0,2,0,0,0,0|1,0,1]=4 5864 B10R0.71 CC=CCSCC/C=C\CC 62a_100000070051_100015370543 [0,2,0,0,0,0|1,0,1]=4 5865 B10R0.71 CC=CCSCC/C=C\CC 62a_100015370543_100000070051 [0,2,0,0,0,0|1,0,1]=4 5866 B10R0.71 CCC#CCOC/C=C\CC 34a_100000032950_100103147603 [0,2,0,0,0,0|1,0,1]=4 5867 B10R0.71 CCC#CCOC/C=C\CC 34a_100016268518_100009813939 [0,2,0,0,0,0|1,0,1]=4 5868 B10R0.71 CCC#CCSC/C=C\CC 62a_100009813939_100103147603 [0,2,0,0,0,0|1,0,1]=4 5869 B10R0.71 CCC#CCSC/C=C\CC 62a_100103147603_100009813939 [0,2,0,0,0,0|1,0,1]=4 5870 B10R0.71 CCC/C=C/C=C/COCC 34a_100016294078_100000210202 [0,2,0,0,0,0|0,0,2]=4 5871 B10R0.71 CCC/C=C/C=C/COCF 34a_100016294078_100015361967 [0,2,0,0,0,0|0,0,2]=4 5872 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [0,2,0,0,0,0|1,0,0]=3 5873 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [0,2,0,0,0,0|1,0,0]=3 5874 B10R0.71 CCC/C=C/COCCCF 34a_100016278788_100011934791 [0,2,0,0,0,0|2,0,0]=4 5875 B10R0.71 CCC/C=C/COCCCF 7a_100016278788_100011934791 [0,2,0,0,0,0|2,0,0]=4 5876 B10R0.71 CCC/C=C/COCCCO 34a_100016278788_100000230001 [0,2,0,0,0,0|2,0,0]=4 5877 B10R0.71 CCC/C=C/COCCCO 7a_100016278788_100011215043 [0,2,0,0,0,0|2,0,0]=4 5878 B10R0.71 CCC/C=C/COCCOC 34a_100016278788_100011201679 [0,2,0,0,0,0|2,0,0]=4 5879 B10R0.71 CCC/C=C/COCCOC 7a_100016278788_100000233755 [0,2,0,0,0,0|2,0,0]=4 5880 B10R0.71 CCC/C=C/COCCSC 34a_100016278788_100000212216 [0,2,0,0,0,0|2,0,0]=4 5881 B10R0.71 CCC/C=C/COCCSC 7a_100016278788_100000212216 [0,2,0,0,0,0|2,0,0]=4 5882 B10R0.71 CCC=CC=NNCCCC 4a_100025702795_100011216943 [0,2,0,0,0,0|1,0,1]=4 5883 B10R0.71 CCCC#CCCOCCO 34a_100000042726_100000211926 [0,2,0,0,0,0|1,0,1]=4 5884 B10R0.71 CCCC#CCCOCCO 7a_100000042726_100000211926 [0,2,0,0,0,0|1,0,1]=4 5885 B10R0.71 CCCC/C=C/COCCC 34a_200016272032_100000210303 [0,2,0,0,0,0|2,0,0]=4 5886 B10R0.71 CCCC/C=C/COCCC 7a_200016272032_100000210303 [0,2,0,0,0,0|2,0,0]=4 5887 B10R0.71 CCCC/C=C/COCCO 34a_200016272032_100000211926 [0,2,0,0,0,0|0,0,2]=4 5888 B10R0.71 CCCC/C=C/COCCO 7a_200016272032_100000211926 [0,2,0,0,0,0|0,0,2]=4 5889 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [0,2,0,0,0,0|0,0,2]=4 5890 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [0,2,0,0,0,0|0,0,2]=4 5891 B10R0.71 CCCC/C=C\CCOCF 34a_200016286491_100015361967 [0,2,0,0,0,0|0,0,2]=4 5892 B10R0.71 CCCC/C=C\CCOCF 7a_200016286491_100015361967 [0,2,0,0,0,0|0,0,2]=4 5893 B10R0.71 CCCC=NNCCCCC 4a_100000694160_100000185831 [0,2,0,0,0,0|1,0,1]=4 5894 B10R0.71 CCCCC#CCOCCO 34a_200000034558_100000211926 [0,2,0,0,0,0|1,0,1]=4 5895 B10R0.71 CCCCC#CCOCCO 7a_200000034558_100000211926 [0,2,0,0,0,0|1,0,1]=4 5896 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [0,2,0,0,0,0|0,0,0]=2 5897 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [0,2,0,0,0,0|0,0,0]=2 5898 B10R0.71 CCCCC/C=C/COCF 34a_100016258190_100015361967 [0,2,0,0,0,0|0,0,0]=2 5899 B10R0.71 CCCCC/C=C/COCF 7a_100016258190_100015361967 [0,2,0,0,0,0|0,0,0]=2 5900 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [0,2,0,0,0,0|0,0,0]=2 5901 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [0,2,0,0,0,0|0,0,0]=2 5902 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [0,2,0,0,0,0|0,0,0]=2 5903 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [0,2,0,0,0,0|0,0,0]=2 5904 B10R0.71 CCCCC=CC=NNCC 4a_100000756455_100016268198 [0,2,0,0,0,0|1,0,1]=4 5905 B10R0.71 CCCCCC#CCCOC 34a_200000042877_200000210301 [0,2,0,0,0,0|0,0,2]=4 5906 B10R0.71 CCCCCC#CCCOC 7a_200000042877_200000210301 [0,2,0,0,0,0|0,0,2]=4 5907 B10R0.71 CCCCCC#CCCO[13CH3] 34a_200000042877_200025704644 [0,2,0,0,0,0|0,0,2]=4 5908 B10R0.71 CCCCCC#CCCO[13CH3] 7a_200000042877_200025704644 [0,2,0,0,0,0|0,0,2]=4 5909 B10R0.71 CCCCCC#CCOCC 34a_100121572206_100009816472 [0,2,0,0,0,0|0,0,2]=4 5910 B10R0.71 CCCCCC#CCOCC 34a_200000033628_100000210202 [0,2,0,0,0,0|0,0,2]=4 5911 B10R0.71 CCCCCC#CCOCC 7a_200000033628_100000210202 [0,2,0,0,0,0|0,0,2]=4 5912 B10R0.71 CCCCCC#CCOCF 34a_200000033628_100015361967 [0,2,0,0,0,0|0,0,2]=4 5913 B10R0.71 CCCCCC#CCOCF 7a_200000033628_100015361967 [0,2,0,0,0,0|0,0,2]=4 5914 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [0,2,0,0,0,0|0,0,0]=2 5915 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [0,2,0,0,0,0|0,0,0]=2 5916 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [0,2,0,0,0,0|0,0,0]=2 5917 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [0,2,0,0,0,0|0,0,0]=2 5918 B10R0.71 CCCCCC=NNCCC 4a_100000740057_100000737632 [0,2,0,0,0,0|1,0,1]=4 5919 B10R0.71 CCCCCC=NNCCO 4a_100000210001_100000737632 [0,2,0,0,0,0|0,0,1]=3 5920 B10R0.71 CCCCCCC#CCOC 34a_200000037284_200000210301 [0,2,0,0,0,0|0,0,2]=4 5921 B10R0.71 CCCCCCC#CCOC 7a_200000037284_200000210301 [0,2,0,0,0,0|0,0,2]=4 5922 B10R0.71 CCCCCCC#CCO[13CH3] 34a_200000037284_200025704644 [0,2,0,0,0,0|0,0,2]=4 5923 B10R0.71 CCCCCCC#CCO[13CH3] 7a_200000037284_200025704644 [0,2,0,0,0,0|0,0,2]=4 5924 B10R0.71 CCCCCCC=NNCC 4a_100000756455_100000234349 [0,2,0,0,0,0|1,0,1]=4 5925 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [0,2,0,0,0,0|0,0,2]=4 5926 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [0,2,0,0,0,0|0,0,2]=4 5927 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [0,2,0,0,0,0|0,0,2]=4 5928 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [0,2,0,0,0,0|0,0,2]=4 5929 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [0,2,0,0,0,0|0,0,2]=4 5930 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [0,2,0,0,0,0|0,0,2]=4 5931 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [0,2,0,0,0,0|0,0,2]=4 5932 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [0,2,0,0,0,0|0,0,2]=4 5933 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [0,2,0,0,0,0|0,0,2]=4 5934 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [0,2,0,0,0,0|0,0,2]=4 5935 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [0,2,0,0,0,0|0,0,2]=4 5936 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [0,2,0,0,0,0|0,0,2]=4 5937 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [0,2,0,0,0,0|0,0,2]=4 5938 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [0,2,0,0,0,0|0,0,2]=4 5939 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [0,2,0,0,0,0|0,0,2]=4 5940 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [0,2,0,0,0,0|0,0,2]=4 5941 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [0,2,0,0,0,0|0,0,2]=4 5942 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [0,2,0,0,0,0|0,0,2]=4 5943 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [0,2,0,0,0,0|0,0,2]=4 5944 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [0,2,0,0,0,0|0,0,2]=4 5945 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [0,2,0,0,0,0|0,0,2]=4 5946 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [0,2,0,0,0,0|0,0,2]=4 5947 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [0,2,0,0,0,0|0,0,2]=4 5948 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [0,2,0,0,0,0|0,0,2]=4 5949 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [0,2,0,0,0,0|0,0,2]=4 5950 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [0,2,0,0,0,0|0,0,2]=4 5951 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [0,2,0,0,0,0|0,0,2]=4 5952 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [0,2,0,0,0,0|0,0,2]=4 5953 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [0,2,0,0,0,0|0,0,2]=4 5954 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [0,2,0,0,0,0|0,0,2]=4 5955 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [0,2,0,0,0,0|0,0,2]=4 5956 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [0,2,0,0,0,0|0,0,2]=4 5957 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [0,2,0,0,0,0|0,0,2]=4 5958 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [0,2,0,0,0,0|0,0,2]=4 5959 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [0,2,0,0,0,0|0,0,2]=4 5960 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [0,2,0,0,0,0|0,0,2]=4 5961 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [0,2,0,0,0,0|0,0,2]=4 5962 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [0,2,0,0,0,0|1,0,1]=4 5963 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [0,2,0,0,0,0|1,0,1]=4 5964 B10R0.71 CCCCCNCC#CCO 2230a_100000209983_200000047223 [0,2,0,0,0,0|0,0,2]=4 5965 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [0,2,0,0,0,0|0,0,2]=4 5966 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [0,2,0,0,0,0|0,0,2]=4 5967 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [0,2,0,0,0,0|0,0,2]=4 5968 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [0,2,0,0,0,0|0,0,2]=4 5969 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [0,2,0,0,0,0|0,0,2]=4 5970 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [0,2,0,0,0,0|1,0,1]=4 5971 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [0,2,0,0,0,0|1,0,1]=4 5972 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [0,2,0,0,0,0|1,0,1]=4 5973 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [0,2,0,0,0,0|1,0,1]=4 5974 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [0,2,0,0,0,0|1,0,1]=4 5975 B10R0.71 CCCCCOCC#CCO 34a_100000210253_200000047223 [0,2,0,0,0,0|0,0,2]=4 5976 B10R0.71 CCCCCOCC#CCO 7a_100000210253_200000047223 [0,2,0,0,0,0|0,0,2]=4 5977 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [0,2,0,0,0,0|0,0,2]=4 5978 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [0,2,0,0,0,0|0,0,2]=4 5979 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [0,2,0,0,0,0|0,0,2]=4 5980 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [0,2,0,0,0,0|0,0,2]=4 5981 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [0,2,0,0,0,0|0,0,2]=4 5982 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [0,2,0,0,0,0|1,0,1]=4 5983 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [0,2,0,0,0,0|1,0,1]=4 5984 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [0,2,0,0,0,0|1,0,1]=4 5985 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [0,2,0,0,0,0|1,0,1]=4 5986 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [0,2,0,0,0,0|1,0,1]=4 5987 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [0,2,0,0,0,0|1,0,1]=4 5988 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [0,2,0,0,0,0|1,0,1]=4 5989 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [0,2,0,0,0,0|1,0,1]=4 5990 B10R0.71 CCCCCSCC#CCO 62a_100000210326_200000047223 [0,2,0,0,0,0|0,0,2]=4 5991 B10R0.71 CCCCCSCC#CCO 62a_200000047223_100000210326 [0,2,0,0,0,0|0,0,2]=4 5992 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [0,2,0,0,0,0|0,0,2]=4 5993 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [0,2,0,0,0,0|0,0,2]=4 5994 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [0,2,0,0,0,0|0,0,2]=4 5995 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [0,2,0,0,0,0|0,0,2]=4 5996 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [0,2,0,0,0,0|1,0,1]=4 5997 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [0,2,0,0,0,0|1,0,1]=4 5998 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [0,2,0,0,0,0|0,0,2]=4 5999 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [0,2,0,0,0,0|0,0,2]=4 6000 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [0,2,0,0,0,0|0,0,2]=4 6001 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [0,2,0,0,0,0|0,0,2]=4 6002 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [0,2,0,0,0,0|0,0,2]=4 6003 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [0,2,0,0,0,0|0,0,2]=4 6004 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [0,2,0,0,0,0|0,0,2]=4 6005 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [0,2,0,0,0,0|0,0,2]=4 6006 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [0,2,0,0,0,0|0,0,2]=4 6007 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [0,2,0,0,0,0|0,0,2]=4 6008 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [0,2,0,0,0,0|0,0,2]=4 6009 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [0,2,0,0,0,0|0,0,2]=4 6010 B10R0.71 CCCCNCCSCCO 2230a_100011219999_100000210211 [0,2,0,0,0,0|0,0,2]=4 6011 B10R0.71 CCCCNCOCCOC 2230a_100000102301_100000231047 [0,2,0,0,0,0|1,0,1]=4 6012 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [0,2,0,0,0,0|0,0,2]=4 6013 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [0,2,0,0,0,0|0,0,2]=4 6014 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [0,2,0,0,0,0|0,0,2]=4 6015 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [0,2,0,0,0,0|0,0,2]=4 6016 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [0,2,0,0,0,0|0,0,2]=4 6017 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [0,2,0,0,0,0|0,0,2]=4 6018 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [0,2,0,0,0,0|0,0,2]=4 6019 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [0,2,0,0,0,0|0,0,2]=4 6020 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [0,2,0,0,0,0|0,0,2]=4 6021 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [0,2,0,0,0,0|0,0,2]=4 6022 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [0,2,0,0,0,0|0,0,2]=4 6023 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [0,2,0,0,0,0|0,0,2]=4 6024 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [0,2,0,0,0,0|0,0,2]=4 6025 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [0,2,0,0,0,0|0,0,2]=4 6026 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [0,2,0,0,0,0|0,0,2]=4 6027 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [0,2,0,0,0,0|0,0,2]=4 6028 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [0,2,0,0,0,0|0,0,2]=4 6029 B10R0.71 CCCCOCCSCOC 62a_100000743108_100000766300 [0,2,0,0,0,0|1,0,1]=4 6030 B10R0.71 CCCCOCCSCOC 62a_100000766300_100000743108 [0,2,0,0,0,0|1,0,1]=4 6031 B10R0.71 CCCCOCNCCOC 2230a_100000209980_100011995733 [0,2,0,0,0,0|1,0,1]=4 6032 B10R0.71 CCCCOCOCCOC 34a_100000210237_100011995733 [0,2,0,0,0,0|1,0,1]=4 6033 B10R0.71 CCCCOCOCCON 34a_100000700252_100011995733 [0,2,0,0,0,0|1,0,1]=4 6034 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [0,2,0,0,0,0|0,0,2]=4 6035 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [0,2,0,0,0,0|0,0,2]=4 6036 B10R0.71 CCCCOCSCCOC 62a_100000233755_100011995733 [0,2,0,0,0,0|1,0,1]=4 6037 B10R0.71 CCCCOCSCCOC 62a_100011995733_100000233755 [0,2,0,0,0,0|1,0,1]=4 6038 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [0,2,0,0,0,0|0,0,2]=4 6039 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [0,2,0,0,0,0|0,0,2]=4 6040 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [0,2,0,0,0,0|0,0,2]=4 6041 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [0,2,0,0,0,0|0,0,2]=4 6042 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [0,2,0,0,0,0|0,0,2]=4 6043 B10R0.71 CCCCSCCNCOC 2230a_100025743550_100000766300 [0,2,0,0,0,0|1,0,1]=4 6044 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [0,2,0,0,0,0|0,0,2]=4 6045 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [0,2,0,0,0,0|0,0,2]=4 6046 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [0,2,0,0,0,0|0,0,2]=4 6047 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [0,2,0,0,0,0|0,0,2]=4 6048 B10R0.71 CCCCSCOCCOC 62a_100000210211_100000231047 [0,2,0,0,0,0|1,0,1]=4 6049 B10R0.71 CCCCSCOCCOC 62a_100000231047_100000210210 [0,2,0,0,0,0|1,0,1]=4 6050 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [0,2,0,0,0,0|0,0,2]=4 6051 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [0,2,0,0,0,0|0,0,2]=4 6052 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [0,2,0,0,0,0|0,0,2]=4 6053 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [0,2,0,0,0,0|0,0,2]=4 6054 B10R0.71 CCCNCCOCCOC 2230a_100000745349_100000210303 [0,2,0,0,0,0|1,0,1]=4 6055 B10R0.71 CCCNCCOCCOC 34a_100000745349_100000210303 [0,2,0,0,0,0|1,0,1]=4 6056 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [0,2,0,0,0,0|0,0,2]=4 6057 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [0,2,0,0,0,0|0,0,2]=4 6058 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [0,2,0,0,0,0|0,0,2]=4 6059 B10R0.71 CCCOCCCNCOC 2230a_100011217757_100000766300 [0,2,0,0,0,0|1,0,1]=4 6060 B10R0.71 CCCOCCNCCCO 2230a_100161115042_100000230001 [0,2,0,0,0,0|0,0,2]=4 6061 B10R0.71 CCCOCCNCCCO 34a_100161115042_100000230001 [0,2,0,0,0,0|0,0,2]=4 6062 B10R0.71 CCCOCCNCCOC 2230a_100000209980_100011215938 [0,2,0,0,0,0|1,0,1]=4 6063 B10R0.71 CCCOCCNCCOC 2230a_100161115042_100011201679 [0,2,0,0,0,0|1,0,1]=4 6064 B10R0.71 CCCOCCNCCOC 34a_100161115042_100011201679 [0,2,0,0,0,0|1,0,1]=4 6065 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [0,2,0,0,0,0|0,0,2]=4 6066 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [0,2,0,0,0,0|0,0,2]=4 6067 B10R0.71 CCCOCCOCCOC 34a_100000210237_100011215938 [0,2,0,0,0,0|1,0,1]=4 6068 B10R0.71 CCCOCCOCCOC 34a_100000210258_100000695917 [0,2,0,0,0,0|1,0,1]=4 6069 B10R0.71 CCCOCCOCCOC 34a_100000752267_100011201679 [0,2,0,0,0,0|1,0,1]=4 6070 B10R0.71 CCCOCCOCCOC 34a_100011215163_100000210303 [0,2,0,0,0,0|1,0,1]=4 6071 B10R0.71 CCCOCCOCCOC 7a_100000752267_100000233755 [0,2,0,0,0,0|1,0,1]=4 6072 B10R0.71 CCCOCCOCCOC 7a_100011215163_100000210303 [0,2,0,0,0,0|1,0,1]=4 6073 B10R0.71 CCCOCCOCCON 34a_100000700252_100011215938 [0,2,0,0,0,0|1,0,1]=4 6074 B10R0.71 CCCOCCSCCCO 62a_100011215043_100011215938 [0,2,0,0,0,0|0,0,2]=4 6075 B10R0.71 CCCOCCSCCCO 62a_100011215938_100011215043 [0,2,0,0,0,0|0,0,2]=4 6076 B10R0.71 CCCOCCSCCOC 62a_100000233755_100011215938 [0,2,0,0,0,0|1,0,1]=4 6077 B10R0.71 CCCOCCSCCOC 62a_100011215938_100000233755 [0,2,0,0,0,0|1,0,1]=4 6078 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [0,2,0,0,0,0|0,0,2]=4 6079 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [0,2,0,0,0,0|0,0,2]=4 6080 B10R0.71 CCCSCCNCCCO 2230a_100020603323_100000230001 [0,2,0,0,0,0|0,0,2]=4 6081 B10R0.71 CCCSCCNCCOC 2230a_100020603323_100011201679 [0,2,0,0,0,0|1,0,1]=4 6082 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [0,2,0,0,0,0|0,0,2]=4 6083 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [0,2,0,0,0,0|0,0,2]=4 6084 B10R0.71 CCCSCCOCCOC 34a_200000230433_100011201679 [0,2,0,0,0,0|1,0,1]=4 6085 B10R0.71 CCCSCCOCCOC 62a_100000210303_100000695917 [0,2,0,0,0,0|1,0,1]=4 6086 B10R0.71 CCCSCCOCCOC 62a_100000695917_100000210303 [0,2,0,0,0,0|1,0,1]=4 6087 B10R0.71 CCCSCCOCCOC 7a_200000230433_100000233755 [0,2,0,0,0,0|1,0,1]=4 6088 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [0,2,0,0,0,0|0,0,2]=4 6089 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [0,2,0,0,0,0|0,0,2]=4 6090 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [0,2,0,0,0,0|0,0,2]=4 6091 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [0,2,0,0,0,0|0,0,2]=4 6092 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [0,2,0,0,0,0|0,0,2]=4 6093 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [0,2,0,0,0,0|0,0,2]=4 6094 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [0,2,0,0,0,0|1,0,1]=4 6095 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [0,2,0,0,0,0|1,0,1]=4 6096 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [0,2,0,0,0,0|1,0,1]=4 6097 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [0,2,0,0,0,0|0,0,2]=4 6098 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [0,2,0,0,0,0|0,0,2]=4 6099 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [0,2,0,0,0,0|0,0,2]=4 6100 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [0,2,0,0,0,0|0,0,2]=4 6101 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [0,2,0,0,0,0|0,0,2]=4 6102 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [0,2,0,0,0,0|0,0,2]=4 6103 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [0,2,0,0,0,0|1,0,1]=4 6104 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [0,2,0,0,0,0|1,0,1]=4 6105 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [0,2,0,0,0,0|1,0,1]=4 6106 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [0,2,0,0,0,0|0,0,2]=4 6107 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [0,2,0,0,0,0|0,0,2]=4 6108 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [0,2,0,0,0,0|1,0,1]=4 6109 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [0,2,0,0,0,0|1,0,1]=4 6110 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [0,2,0,0,0,0|1,0,1]=4 6111 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [0,2,0,0,0,0|1,0,1]=4 6112 B10R0.71 CCOCCCOCCON 34a_100000700252_100012232248 [0,2,0,0,0,0|1,0,1]=4 6113 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [0,2,0,0,0,0|0,0,2]=4 6114 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [0,2,0,0,0,0|0,0,2]=4 6115 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [0,2,0,0,0,0|1,0,1]=4 6116 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [0,2,0,0,0,0|1,0,1]=4 6117 B10R0.71 CCOCCNCC#CCO 2230a_102516460346_200000047223 [0,2,0,0,0,0|0,0,2]=4 6118 B10R0.71 CCOCCNCC#CCO 34a_102516460346_200000047223 [0,2,0,0,0,0|0,0,2]=4 6119 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [0,2,0,0,0,0|0,0,2]=4 6120 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [0,2,0,0,0,0|0,0,2]=4 6121 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [0,2,0,0,0,0|0,0,2]=4 6122 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [0,2,0,0,0,0|0,0,2]=4 6123 B10R0.71 CCOCCOCC#CCO 34a_100000210136_200000047223 [0,2,0,0,0,0|0,0,2]=4 6124 B10R0.71 CCOCCOCC#CCO 7a_100000210136_200000047223 [0,2,0,0,0,0|0,0,2]=4 6125 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [0,2,0,0,0,0|0,0,2]=4 6126 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [0,2,0,0,0,0|0,0,2]=4 6127 B10R0.71 CCOCCSCC#CCO 62a_100000210147_200000047223 [0,2,0,0,0,0|0,0,2]=4 6128 B10R0.71 CCOCCSCC#CCO 62a_200000047223_100011215890 [0,2,0,0,0,0|0,0,2]=4 6129 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [0,2,0,0,0,0|0,0,2]=4 6130 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [0,2,0,0,0,0|0,0,2]=4 6131 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [0,2,0,0,0,0|0,0,2]=4 6132 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [0,2,0,0,0,0|0,0,2]=4 6133 B10R0.71 CCOCSCCOCCO 62a_100000739092_100011215305 [0,2,0,0,0,0|1,0,1]=4 6134 B10R0.71 CCOCSCCOCCO 62a_100011215305_100000739092 [0,2,0,0,0,0|1,0,1]=4 6135 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [0,2,0,0,0,0|0,0,2]=4 6136 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [0,2,0,0,0,0|0,0,2]=4 6137 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [0,2,0,0,0,0|0,0,2]=4 6138 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [0,2,0,0,0,0|0,0,2]=4 6139 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [0,2,0,0,0,0|0,0,2]=4 6140 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [0,2,0,0,0,0|0,0,2]=4 6141 B10R0.71 CCSCCCOCCOC 34a_100011216438_100011201679 [0,2,0,0,0,0|1,0,1]=4 6142 B10R0.71 CCSCCCOCCOC 62a_100000210202_100011216529 [0,2,0,0,0,0|1,0,1]=4 6143 B10R0.71 CCSCCCOCCOC 62a_100011216529_100000210202 [0,2,0,0,0,0|1,0,1]=4 6144 B10R0.71 CCSCCCOCCOC 7a_100011216438_100000233755 [0,2,0,0,0,0|1,0,1]=4 6145 B10R0.71 CCSCCNCC#CCO 2230a_100000106463_200000047223 [0,2,0,0,0,0|0,0,2]=4 6146 B10R0.71 CCSCCNCCCCO 2230a_100000106463_100000210776 [0,2,0,0,0,0|0,0,2]=4 6147 B10R0.71 CCSCCNCCCCO 2230a_100000750430_100000757381 [0,2,0,0,0,0|0,0,2]=4 6148 B10R0.71 CCSCCNCCCCO 34a_100000750430_100000757381 [0,2,0,0,0,0|0,0,2]=4 6149 B10R0.71 CCSCCOCC#CCO 34a_100000212035_200000047223 [0,2,0,0,0,0|0,0,2]=4 6150 B10R0.71 CCSCCOCC#CCO 7a_100000212035_200000047223 [0,2,0,0,0,0|0,0,2]=4 6151 B10R0.71 CCSCCOCCCCO 34a_100000212035_100011216708 [0,2,0,0,0,0|0,0,2]=4 6152 B10R0.71 CCSCCOCCCCO 7a_100000212035_100000210776 [0,2,0,0,0,0|0,0,2]=4 6153 B10R0.71 CCSCCSCC#CCO 62a_100000757381_200000047223 [0,2,0,0,0,0|0,0,2]=4 6154 B10R0.71 CCSCCSCC#CCO 62a_200000047223_100000757381 [0,2,0,0,0,0|0,0,2]=4 6155 B10R0.71 CCSCCSCCCCO 62a_100000210776_100000757381 [0,2,0,0,0,0|0,0,2]=4 6156 B10R0.71 CCSCCSCCCCO 62a_100000757381_100000210776 [0,2,0,0,0,0|0,0,2]=4 6157 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [0,2,0,0,0,0|0,0,2]=4 6158 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [0,2,0,0,0,0|0,0,2]=4 6159 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [0,2,0,0,0,0|0,0,2]=4 6160 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [0,2,0,0,0,0|0,0,2]=4 6161 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [0,2,0,0,0,0|0,0,2]=4 6162 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [0,2,0,0,0,0|0,0,2]=4 6163 B10R0.71 CNCCCOCC#CCO 34a_100000213112_200000047223 [0,2,0,0,0,0|0,0,2]=4 6164 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [0,2,0,0,0,0|0,0,2]=4 6165 B10R0.71 CNCCOCCOCCO 2230a_100011998139_200000210301 [0,2,0,0,0,0|1,0,1]=4 6166 B10R0.71 CNCCOCCOCCO 2230a_106832991635_100000032323 [0,2,0,0,0,0|1,0,1]=4 6167 B10R0.71 CNCCOCCOCCO 34a_100000228057_100000211926 [0,2,0,0,0,0|1,0,1]=4 6168 B10R0.71 CNCCOCCOCCO 34a_100011998139_200000210301 [0,2,0,0,0,0|1,0,1]=4 6169 B10R0.71 CNCCOCCOCCO 34a_100102657272_100000032323 [0,2,0,0,0,0|1,0,1]=4 6170 B10R0.71 CNCCOCCOCCO 7a_106832991635_100000032323 [0,2,0,0,0,0|1,0,1]=4 6171 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [0,2,0,0,0,0|0,0,2]=4 6172 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [0,2,0,0,0,0|0,0,2]=4 6173 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [0,2,0,0,0,0|0,0,2]=4 6174 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [0,2,0,0,0,0|0,0,2]=4 6175 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [0,2,0,0,0,0|0,0,2]=4 6176 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [0,2,0,0,0,0|0,0,2]=4 6177 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [0,2,0,0,0,0|0,0,2]=4 6178 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [0,2,0,0,0,0|0,0,2]=4 6179 B10R0.71 COCCCCCNCOC 2230a_100000747528_100000766300 [0,2,0,0,0,0|1,0,1]=4 6180 B10R0.71 COCCCCNCCOC 2230a_100000209980_100000730899 [0,2,0,0,0,0|1,0,1]=4 6181 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [0,2,0,0,0,0|0,0,2]=4 6182 B10R0.71 COCCCCOCCOC 34a_100000210237_100000755781 [0,2,0,0,0,0|1,0,1]=4 6183 B10R0.71 COCCCCOCCOC 34a_100000740925_100011201679 [0,2,0,0,0,0|1,0,1]=4 6184 B10R0.71 COCCCCOCCON 34a_100000700252_100000755781 [0,2,0,0,0,0|1,0,1]=4 6185 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [0,2,0,0,0,0|0,0,2]=4 6186 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [0,2,0,0,0,0|0,0,2]=4 6187 B10R0.71 COCCCCSCCOC 62a_100000233755_100000730899 [0,2,0,0,0,0|1,0,1]=4 6188 B10R0.71 COCCCCSCCOC 62a_100000730899_100000233755 [0,2,0,0,0,0|1,0,1]=4 6189 B10R0.71 COCCCNCC#CCO 34a_100150723488_200000047223 [0,2,0,0,0,0|0,0,2]=4 6190 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [0,2,0,0,0,0|0,0,2]=4 6191 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [0,2,0,0,0,0|0,0,2]=4 6192 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [0,2,0,0,0,0|0,0,2]=4 6193 B10R0.71 COCCCOCC#CCO 34a_100000740835_200000047223 [0,2,0,0,0,0|0,0,2]=4 6194 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [0,2,0,0,0,0|0,0,2]=4 6195 B10R0.71 COCCCSCC#CCO 62a_100000709357_200000047223 [0,2,0,0,0,0|0,0,2]=4 6196 B10R0.71 COCCCSCC#CCO 62a_200000047223_100000709357 [0,2,0,0,0,0|0,0,2]=4 6197 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [0,2,0,0,0,0|0,0,2]=4 6198 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [0,2,0,0,0,0|0,0,2]=4 6199 B10R0.71 COCCNCCCCCF 2230a_100000209980_100000729378 [0,2,0,0,0,0|1,0,1]=4 6200 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [0,2,0,0,0,0|0,0,2]=4 6201 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [0,2,0,0,0,0|0,0,2]=4 6202 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [0,2,0,0,0,0|0,0,2]=4 6203 B10R0.71 COCCNCCOCCO 2230a_100000209980_100011215305 [0,2,0,0,0,0|1,0,1]=4 6204 B10R0.71 COCCNCCOCCO 2230a_100000211614_100011201679 [0,2,0,0,0,0|1,0,1]=4 6205 B10R0.71 COCCNCCOCCO 34a_100000211614_100011201679 [0,2,0,0,0,0|1,0,1]=4 6206 B10R0.71 COCCNCCSCCO 2230a_100011219999_100011201679 [0,2,0,0,0,0|1,0,1]=4 6207 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [0,2,0,0,0,0|1,0,1]=4 6208 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [0,2,0,0,0,0|1,0,1]=4 6209 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [0,2,0,0,0,0|1,0,1]=4 6210 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [0,2,0,0,0,0|1,0,1]=4 6211 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [0,2,0,0,0,0|1,0,1]=4 6212 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [0,2,0,0,0,0|1,0,1]=4 6213 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [0,2,0,0,0,0|1,0,1]=4 6214 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [0,2,0,0,0,0|1,0,1]=4 6215 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [0,2,0,0,0,0|0,0,2]=4 6216 B10R0.71 COCCOCCCCSC 34a_100011217163_100011201679 [0,2,0,0,0,0|1,0,1]=4 6217 B10R0.71 COCCOCCCCSC 7a_100011217163_100000233755 [0,2,0,0,0,0|1,0,1]=4 6218 B10R0.71 COCCOCCNCCO 2230a_100000745349_100000211926 [0,2,0,0,0,0|1,0,1]=4 6219 B10R0.71 COCCOCCNCCO 2230a_100016997473_100000695917 [0,2,0,0,0,0|1,0,1]=4 6220 B10R0.71 COCCOCCNCCO 34a_100000745349_100000211926 [0,2,0,0,0,0|1,0,1]=4 6221 B10R0.71 COCCOCCNCCO 34a_100016990907_100000695917 [0,2,0,0,0,0|1,0,1]=4 6222 B10R0.71 COCCOCCOCCO 34a_100000210237_100000692535 [0,2,0,0,0,0|1,0,1]=4 6223 B10R0.71 COCCOCCOCCO 34a_100011215163_100000211926 [0,2,0,0,0,0|1,0,1]=4 6224 B10R0.71 COCCOCCOCCO 34a_100138415774_100000032323 [0,2,0,0,0,0|1,0,1]=4 6225 B10R0.71 COCCOCCOCCO 7a_100011215163_100000211926 [0,2,0,0,0,0|1,0,1]=4 6226 B10R0.71 COCCOCCSCCO 62a_100000211926_100000695917 [0,2,0,0,0,0|1,0,1]=4 6227 B10R0.71 COCCOCCSCCO 62a_100000695917_100000211926 [0,2,0,0,0,0|1,0,1]=4 6228 B10R0.71 COCCSCCCCCF 62a_100000233755_100000729378 [0,2,0,0,0,0|1,0,1]=4 6229 B10R0.71 COCCSCCCCCF 62a_100000729378_100000233755 [0,2,0,0,0,0|1,0,1]=4 6230 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [0,2,0,0,0,0|0,0,2]=4 6231 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [0,2,0,0,0,0|0,0,2]=4 6232 B10R0.71 COCCSCCOCCO 62a_100000233755_100011215305 [0,2,0,0,0,0|1,0,1]=4 6233 B10R0.71 COCCSCCOCCO 62a_100011215305_100000233755 [0,2,0,0,0,0|1,0,1]=4 6234 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [0,2,0,0,0,0|0,0,2]=4 6235 B10R0.71 COCSCCCCCCF 62a_100000766300_100015922095 [0,2,0,0,0,0|1,0,1]=4 6236 B10R0.71 COCSCCCCCCF 62a_100015922095_100000766300 [0,2,0,0,0,0|1,0,1]=4 6237 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [0,2,0,0,0,0|0,0,2]=4 6238 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [0,2,0,0,0,0|0,0,2]=4 6239 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [0,2,0,0,0,0|0,0,2]=4 6240 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [0,2,0,0,0,0|0,0,2]=4 6241 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [0,2,0,0,0,0|0,0,2]=4 6242 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [0,2,0,0,0,0|0,0,2]=4 6243 B10R0.71 CSCCCNCC#CCO 2230a_100000749238_200000047223 [0,2,0,0,0,0|0,0,2]=4 6244 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [0,2,0,0,0,0|0,0,2]=4 6245 B10R0.71 CSCCCOCC#CCO 34a_100000690336_200000047223 [0,2,0,0,0,0|0,0,2]=4 6246 B10R0.71 CSCCCOCC#CCO 7a_100000690336_200000047223 [0,2,0,0,0,0|0,0,2]=4 6247 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [0,2,0,0,0,0|0,0,2]=4 6248 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [0,2,0,0,0,0|0,0,2]=4 6249 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [0,2,0,0,0,0|0,0,2]=4 6250 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [0,2,0,0,0,0|0,0,2]=4 6251 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [0,2,0,0,0,0|0,0,2]=4 6252 B10R0.71 CSCCNCCOCCO 2230a_100000211614_100000751147 [0,2,0,0,0,0|1,0,1]=4 6253 B10R0.71 CSCCNCCOCCO 2230a_100020590264_100011215305 [0,2,0,0,0,0|1,0,1]=4 6254 B10R0.71 CSCCNCCOCCO 34a_100000211614_100000212216 [0,2,0,0,0,0|1,0,1]=4 6255 B10R0.71 CSCCNCCSCCO 2230a_100011219999_100000751147 [0,2,0,0,0,0|1,0,1]=4 6256 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [0,2,0,0,0,0|0,0,2]=4 6257 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [0,2,0,0,0,0|0,0,2]=4 6258 B10R0.71 CSCCOCCOCCO 34a_100000230434_100000692535 [0,2,0,0,0,0|1,0,1]=4 6259 B10R0.71 CSCCOCCOCCO 62a_100000032323_200000210301 [0,2,0,0,0,0|1,0,1]=4 6260 B10R0.71 CSCCOCCOCCO 62a_200000210301_100000032323 [0,2,0,0,0,0|1,0,1]=4 6261 B10R0.71 CSCCOCCOCCO 7a_100000230434_100011215305 [0,2,0,0,0,0|1,0,1]=4 6262 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [0,2,0,0,0,0|0,0,2]=4 6263 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [0,2,0,0,0,0|0,0,2]=4 6264 B10R0.71 CSCCSCCOCCO 62a_100000212216_100011215305 [0,2,0,0,0,0|1,0,1]=4 6265 B10R0.71 CSCCSCCOCCO 62a_100011215305_100000751147 [0,2,0,0,0,0|1,0,1]=4 6266 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [0,2,0,0,0,0|0,0,2]=4 6267 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [0,2,0,0,0,0|0,0,2]=4 6268 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [0,2,0,0,0,0|0,0,2]=4 6269 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [0,2,0,0,0,0|0,0,2]=4 6270 B10R0.71 N#CCCCCCNCCO 2230a_100016997473_100009813376 [0,2,0,0,0,0|1,0,1]=4 6271 B10R0.71 N#CCCCCCSCCO 62a_100000211926_100009813376 [0,2,0,0,0,0|1,0,1]=4 6272 B10R0.71 N#CCCCCCSCCO 62a_100009813376_100000211926 [0,2,0,0,0,0|1,0,1]=4 6273 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [0,2,0,0,0,0|0,0,2]=4 6274 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [0,2,0,0,0,0|0,0,2]=4 6275 B10R0.71 NCCCCOCC#CCO 34a_100000750430_200000047223 [0,2,0,0,0,0|0,0,2]=4 6276 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [0,2,0,0,0,0|0,0,2]=4 6277 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [0,2,0,0,0,0|0,0,2]=4 6278 B10R0.71 NCCCOCCOCCO 34a_100000182051_100000692535 [0,2,0,0,0,0|1,0,1]=4 6279 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [0,2,0,0,0,0|0,0,2]=4 6280 B10R0.71 NOCCOCCCCCF 34a_100000700252_100000729378 [0,2,0,0,0,0|1,0,1]=4 6281 B10R0.71 NOCCOCCCCCO 34a_100000700252_100000746330 [0,2,0,0,0,0|1,0,1]=4 6282 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [0,2,0,0,0,0|1,0,1]=4 6283 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [0,2,0,0,0,0|1,0,1]=4 6284 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [0,2,0,0,0,0|1,0,1]=4 6285 B10R0.71 OCC#CCNCCCCO 2230a_100000750430_200000047223 [0,2,0,0,0,0|0,0,2]=4 6286 B10R0.71 OCC#CCNCCCCO 34a_100000750430_200000047223 [0,2,0,0,0,0|0,0,2]=4 6287 B10R0.71 OCC#CCOCCCCBr 34a_100011216708_200000047223 [0,2,0,0,0,0|0,0,2]=4 6288 B10R0.71 OCC#CCOCCCCCl 34a_100000210776_200000047223 [0,2,0,0,0,0|0,0,2]=4 6289 B10R0.71 OCC#CCOCCCCCl 7a_100000210776_200000047223 [0,2,0,0,0,0|0,0,2]=4 6290 B10R0.71 OCC#CCOCCCCF 34a_100011995726_200000047223 [0,2,0,0,0,0|0,0,2]=4 6291 B10R0.71 OCC#CCOCCCCF 7a_100011995726_200000047223 [0,2,0,0,0,0|0,0,2]=4 6292 B10R0.71 OCC#CCOCCCCI 34a_200012148704_200000047223 [0,2,0,0,0,0|0,0,2]=4 6293 B10R0.71 OCC#CCSCCCCF 62a_100000729493_200000047223 [0,2,0,0,0,0|0,0,2]=4 6294 B10R0.71 OCC#CCSCCCCF 62a_200000047223_100000729493 [0,2,0,0,0,0|0,0,2]=4 6295 B10R0.71 OCC#CCSCCCCO 62a_100000210776_200000047223 [0,2,0,0,0,0|0,0,2]=4 6296 B10R0.71 OCC#CCSCCCCO 62a_200000047223_100000210776 [0,2,0,0,0,0|0,0,2]=4 6297 B10R0.71 OCCCCC=NNCCO 4a_100000210001_100000031955 [0,2,0,0,0,0|1,0,1]=4 6298 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [0,2,0,0,0,0|0,0,2]=4 6299 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [0,2,0,0,0,0|0,0,2]=4 6300 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [0,2,0,0,0,0|0,0,2]=4 6301 B10R0.71 OCCCCCCNCCF 2230a_100000686447_100011217306 [0,2,0,0,0,0|0,0,2]=4 6302 B10R0.71 OCCCCCCNCCF 34a_100000686447_100011217306 [0,2,0,0,0,0|0,0,2]=4 6303 B10R0.71 OCCCCCCNCCF 34a_100000724931_100000766143 [0,2,0,0,0,0|0,0,2]=4 6304 B10R0.71 OCCCCCCNCCO 2230a_100000686447_100000211926 [0,2,0,0,0,0|0,0,2]=4 6305 B10R0.71 OCCCCCCNCCO 2230a_100016997473_100000766143 [0,2,0,0,0,0|0,0,2]=4 6306 B10R0.71 OCCCCCCNCCO 34a_100000686447_100000211926 [0,2,0,0,0,0|0,0,2]=4 6307 B10R0.71 OCCCCCCNCCO 34a_100016990907_100000766143 [0,2,0,0,0,0|0,0,2]=4 6308 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [0,2,0,0,0,0|0,0,2]=4 6309 B10R0.71 OCCCCCCSCCF 62a_100000766143_100011217306 [0,2,0,0,0,0|0,0,2]=4 6310 B10R0.71 OCCCCCCSCCF 62a_100011217306_100000766143 [0,2,0,0,0,0|0,0,2]=4 6311 B10R0.71 OCCCCCCSCCO 62a_100000211926_100000766143 [0,2,0,0,0,0|0,0,2]=4 6312 B10R0.71 OCCCCCCSCCO 62a_100000766143_100000211926 [0,2,0,0,0,0|0,0,2]=4 6313 B10R0.71 OCCCCCNCCCF 2230a_100000762737_100011934791 [0,2,0,0,0,0|0,0,2]=4 6314 B10R0.71 OCCCCCNCCCF 2230a_100015189416_100000746330 [0,2,0,0,0,0|0,0,2]=4 6315 B10R0.71 OCCCCCNCCCF 34a_100000762737_100011934791 [0,2,0,0,0,0|0,0,2]=4 6316 B10R0.71 OCCCCCNCCCF 34a_100015189416_100000746330 [0,2,0,0,0,0|0,0,2]=4 6317 B10R0.71 OCCCCCNCCCO 2230a_100000762737_100000230001 [0,2,0,0,0,0|0,0,2]=4 6318 B10R0.71 OCCCCCNCCCO 34a_100000762737_100000230001 [0,2,0,0,0,0|0,0,2]=4 6319 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [0,2,0,0,0,0|0,0,2]=4 6320 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [0,2,0,0,0,0|0,0,2]=4 6321 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [0,2,0,0,0,0|0,0,2]=4 6322 B10R0.71 OCCCCCSCCCF 62a_100000746330_100011934791 [0,2,0,0,0,0|0,0,2]=4 6323 B10R0.71 OCCCCCSCCCF 62a_100011934791_100000746330 [0,2,0,0,0,0|0,0,2]=4 6324 B10R0.71 OCCCCCSCCCO 62a_100000746330_100011215043 [0,2,0,0,0,0|0,0,2]=4 6325 B10R0.71 OCCCCCSCCCO 62a_100011215043_100000746330 [0,2,0,0,0,0|0,0,2]=4 6326 B10R0.71 OCCCCNCCCCF 2230a_100000750430_100000729493 [0,2,0,0,0,0|0,0,2]=4 6327 B10R0.71 OCCCCNCCCCF 34a_100000750430_100000729493 [0,2,0,0,0,0|0,0,2]=4 6328 B10R0.71 OCCCCNCCCCO 2230a_100000750430_100000210776 [0,2,0,0,0,0|0,0,2]=4 6329 B10R0.71 OCCCCNCCCCO 34a_100000750430_100011216708 [0,2,0,0,0,0|0,0,2]=4 6330 B10R0.71 OCCCCOCCCCBr 34a_100011216708_100011216708 [0,2,0,0,0,0|0,0,2]=4 6331 B10R0.71 OCCCCOCCCCCl 34a_100000210776_100011216708 [0,2,0,0,0,0|0,0,2]=4 6332 B10R0.71 OCCCCOCCCCCl 7a_100000210776_100000210776 [0,2,0,0,0,0|0,0,2]=4 6333 B10R0.71 OCCCCOCCCCF 34a_100011995726_100011216708 [0,2,0,0,0,0|0,0,2]=4 6334 B10R0.71 OCCCCOCCCCF 7a_100011995726_100000210776 [0,2,0,0,0,0|0,0,2]=4 6335 B10R0.71 OCCCCOCCCCI 34a_200012148704_100011216708 [0,2,0,0,0,0|0,0,2]=4 6336 B10R0.71 OCCCCSCCCCF 62a_100000210776_100000729493 [0,2,0,0,0,0|0,0,2]=4 6337 B10R0.71 OCCCCSCCCCF 62a_100000729493_100000210776 [0,2,0,0,0,0|0,0,2]=4 6338 B10R0.71 OCCCCSCCCCO 62a_100000210776_100000210776 [0,2,0,0,0,0|0,0,2]=4 6339 B10R0.71 OCCCNCCOCCO 2230a_100000211614_100000230001 [0,2,0,0,0,0|1,0,1]=4 6340 B10R0.71 OCCCNCCOCCO 34a_100000211614_100000230001 [0,2,0,0,0,0|1,0,1]=4 6341 B10R0.71 OCCCNCCSCCO 2230a_100011219999_100000230001 [0,2,0,0,0,0|1,0,1]=4 6342 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [0,2,0,0,0,0|0,0,2]=4 6343 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [0,2,0,0,0,0|0,0,2]=4 6344 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [0,2,0,0,0,0|0,0,2]=4 6345 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [0,2,0,0,0,0|0,0,2]=4 6346 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [0,2,0,0,0,0|0,0,2]=4 6347 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [0,2,0,0,0,0|0,0,2]=4 6348 B10R0.71 OCCCSCCCCCF 62a_100000729378_100011215043 [0,2,0,0,0,0|0,0,2]=4 6349 B10R0.71 OCCCSCCCCCF 62a_100011215043_100000729378 [0,2,0,0,0,0|0,0,2]=4 6350 B10R0.71 OCCCSCCOCCO 62a_100011215043_100011215305 [0,2,0,0,0,0|1,0,1]=4 6351 B10R0.71 OCCCSCCOCCO 62a_100011215305_100011215043 [0,2,0,0,0,0|1,0,1]=4 6352 B10R0.71 OCCNCCCCCCF 2230a_100016997473_100015922095 [0,2,0,0,0,0|0,0,2]=4 6353 B10R0.71 OCCNCCCCCCF 34a_100016990907_100015922095 [0,2,0,0,0,0|0,0,2]=4 6354 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [0,2,0,0,0,0|0,0,2]=4 6355 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [0,2,0,0,0,0|0,0,2]=4 6356 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [0,2,0,0,0,0|0,0,2]=4 6357 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [0,2,0,0,0,0|0,0,2]=4 6358 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [0,2,0,0,0,0|0,0,2]=4 6359 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [0,2,0,0,0,0|0,0,2]=4 6360 B10R0.71 OCCOCCNCCCF 2230a_100000211614_100011934791 [0,2,0,0,0,0|1,0,1]=4 6361 B10R0.71 OCCOCCNCCCF 2230a_100015189416_100011215305 [0,2,0,0,0,0|1,0,1]=4 6362 B10R0.71 OCCOCCNCCCF 34a_100000211614_100011934791 [0,2,0,0,0,0|1,0,1]=4 6363 B10R0.71 OCCOCCNCCCF 34a_100015189416_100000692535 [0,2,0,0,0,0|1,0,1]=4 6364 B10R0.71 OCCOCCOCCCBr 34a_100011217188_100000692535 [0,2,0,0,0,0|1,0,1]=4 6365 B10R0.71 OCCOCCOCCCCl 34a_100000230001_100000692535 [0,2,0,0,0,0|1,0,1]=4 6366 B10R0.71 OCCOCCOCCCF 34a_100000759539_100000692535 [0,2,0,0,0,0|1,0,1]=4 6367 B10R0.71 OCCOCCSCCCF 62a_100011215305_100011934791 [0,2,0,0,0,0|1,0,1]=4 6368 B10R0.71 OCCOCCSCCCF 62a_100011934791_100011215305 [0,2,0,0,0,0|1,0,1]=4 6369 B10R0.71 OCCSCCCCCCF 62a_100000211926_100015922095 [0,2,0,0,0,0|0,0,2]=4 6370 B10R0.71 OCCSCCCCCCF 62a_100015922095_100000211926 [0,2,0,0,0,0|0,0,2]=4 6371 B10R0.71 OCCSCCNCCCF 2230a_100011219999_100011934791 [0,2,0,0,0,0|1,0,1]=4 6372 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [0,2,0,0,0,0|0,0,2]=4 6373 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [0,2,0,0,0,0|0,0,2]=4 6374 B10R0.71 [13CH3]NCCOCCOCCO 2230a_100011998139_200025704644 [0,2,0,0,0,0|1,0,1]=4 6375 B10R0.71 [13CH3]NCCOCCOCCO 34a_100011998139_200025704644 [0,2,0,0,0,0|1,0,1]=4 6376 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [0,2,0,0,0,0|0,0,2]=4 6377 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [0,2,0,0,0,0|0,0,2]=4 6378 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [0,2,0,0,0,0|0,0,2]=4 6379 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [0,2,0,0,0,0|0,0,2]=4 6380 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [0,2,0,0,0,0|0,0,2]=4 6381 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [0,2,0,0,0,0|0,0,2]=4 6382 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [0,2,0,0,0,0|0,0,2]=4 6383 B10R0.71 [13CH3]SCCOCCOCCO 62a_100000032323_200025704644 [0,2,0,0,0,0|1,0,1]=4 6384 B10R0.71 [13CH3]SCCOCCOCCO 62a_200025704644_100000032323 [0,2,0,0,0,0|1,0,1]=4 6385 B10R0.41 C#CC(CC)OC/C=C\CC 34a_100000758843_100103147603 [0,2,0,0,0,0|2,0,0]=4 6386 B10R0.41 C#CC(CC)OC/C=C\CC 7a_100000758843_100103147603 [0,2,0,0,0,0|2,0,0]=4 6387 B10R0.41 C=CC(CC)OC/C=C\CC 34a_100000766422_100103147603 [0,2,0,0,0,0|2,0,0]=4 6388 B10R0.41 C=CC(CC)OC/C=C\CC 7a_100000766422_100103147603 [0,2,0,0,0,0|2,0,0]=4 6389 B10R0.41 C=C[C@@H](CO)NCCCCC 2230a_100016989147_100000210326 [0,2,0,0,0,0|1,0,1]=4 6390 B10R0.41 C=C[C@@H](CO)NCCCCC 34a_100016989147_100000718602 [0,2,0,0,0,0|1,0,1]=4 6391 B10R0.41 CC/C=C\CCN(CC)CC 2230a_100000724800_100015370543 [0,2,0,0,0,0|2,0,0]=4 6392 B10R0.41 CC/C=C\CCN(CC)CC 269956a_100000042499_100015370543 [0,2,0,0,0,0|2,0,0]=4 6393 B10R0.41 CC/C=C\CCN(CC)CC 269982a_100000724800_100015370543 [0,2,0,0,0,0|2,0,0]=4 6394 B10R0.41 CC/C=C\CNC(CC)CC 2230a_100000199018_100103147603 [0,2,0,0,0,0|2,0,0]=4 6395 B10R0.41 CC/C=C\CN[C@@H](CC)CO 2230a_100000709445_100103147603 [0,2,0,0,0,0|2,0,0]=4 6396 B10R0.41 CC/C=C\COC(CC)CC 7a_100000688536_100103147603 [0,2,0,0,0,0|2,0,0]=4 6397 B10R0.41 CC/C=C\CSC(CC)CC 62a_100000210505_100103147603 [0,2,0,0,0,0|2,0,0]=4 6398 B10R0.41 CC/C=C\CSC(CC)CC 62a_100103147603_100000210505 [0,2,0,0,0,0|2,0,0]=4 6399 B10R0.41 CCCCCNC(CO)CO 2230a_100000759517_100000210326 [0,2,0,0,0,0|1,0,1]=4 6400 B10R0.41 CCCCCN[C@@H](CC)CO 2230a_100000709445_100000210326 [0,2,0,0,0,0|1,0,1]=4 6401 B10R0.41 CCCCNN=C(CC)CO 4a_100025702795_100000725409 [0,2,0,0,0,0|2,0,0]=4 6402 B10R0.41 CCCCNN=C(CO)CO 4a_100025702795_100000036256 [0,2,0,0,0,0|2,0,0]=4 6403 B10R0.59 CC(CO)CCNC(=O)CO 240690a_106354213184_100000210174 [0,2,0,0,0,0|2,0,0]=4 6404 B10R0.59 CC(CO)CCNC(=O)CO 527a_106354213184_100000210174 [0,2,0,0,0,0|2,0,0]=4 6405 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [0,2,0,0,0,0|2,0,0]=4 6406 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [0,2,0,0,0,0|2,0,0]=4 6407 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [0,2,0,0,0,0|2,0,0]=4 6408 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [0,2,0,0,0,0|2,0,0]=4 6409 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [0,2,0,0,0,0|1,0,0]=3 6410 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [0,2,0,0,0,0|1,0,0]=3 6411 B10R0.59 CCC(C)CCNC(C)CO 2230a_100020591266_100012180447 [0,2,0,0,0,0|1,0,1]=4 6412 B10R0.59 CCC(C)CCOC(C)CO 7a_100011215188_100012180447 [0,2,0,0,0,0|1,0,1]=4 6413 B10R0.59 CCC(O)CNN=C(C)CO 4a_100015206393_100000211253 [0,2,0,0,0,0|2,0,0]=4 6414 B10R0.59 CCC(O)CNNC(=O)CO 22a_100015206393_100000210174 [0,2,0,0,0,0|2,0,0]=4 6415 B10R0.59 CCN(C)CCCC(=O)CO 1458a_100000210174_100015186262 [0,2,0,0,0,0|1,0,1]=4 6416 B10R0.62 CC/C=C\CNC(C)(C)CC 2230a_100000211385_100103147603 [0,2,0,0,0,0|2,0,0]=4 6417 B10R0.62 CC/C=C\COC(C)(C)CC 7a_100000210230_100103147603 [0,2,0,0,0,0|2,0,0]=4 6418 B10R0.62 CC/C=C\CSC(C)(C)CC 62a_100000032637_100103147603 [0,2,0,0,0,0|2,0,0]=4 6419 B10R0.62 CC/C=C\CSC(C)(C)CC 62a_100103147603_100000032637 [0,2,0,0,0,0|2,0,0]=4 6420 B10R0.62 CCCCCNC(C)(C)CO 2230a_100000210608_100000210326 [0,2,0,0,0,0|1,0,1]=4 6421 B10R0.62 CCCCCSC(F)(F)CO 62a_100000210326_100011217949 [0,2,0,0,0,0|1,0,1]=4 6422 B10R0.62 CCCCCSC(F)(F)CO 62a_100011217949_100000210326 [0,2,0,0,0,0|1,0,1]=4 6423 B8R1.2 CCN1CC=CCC1 2230a_100000698166_100000210202 [1,0,0,1,0,0|1,0,0]=3 6424 B8R1.2 CCN1CC=CCC1 269982a_100000698166_100000204670 [1,0,0,1,0,0|1,0,0]=3 6425 B8R1.2 CCN1CC=CCC1 34a_100000698166_100000210202 [1,0,0,1,0,0|1,0,0]=3 6426 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [1,0,0,1,0,0|1,0,1]=4 6427 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [1,0,0,1,0,0|1,0,1]=4 6428 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [1,0,0,1,0,0|1,0,1]=4 6429 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [1,0,0,1,0,0|1,0,1]=4 6430 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [1,0,0,1,0,0|1,0,1]=4 6431 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [1,0,0,1,0,0|1,0,0]=3 6432 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,0,0,1,0,0|1,0,1]=4 6433 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,0,0,1,0,0|1,0,1]=4 6434 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,0,0,1,0,0|1,0,1]=4 6435 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [1,0,0,1,0,0|1,0,1]=4 6436 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,0,0,1,0,0|1,0,1]=4 6437 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,0,0,1,0,0|1,0,1]=4 6438 B8R1.2 FCN1CC=CCC1 269982a_100000698166_100015361967 [1,0,0,1,0,0|2,0,0]=4 6439 B8R1.2 FCN1CC=CCC1 34a_100000698166_100015361967 [1,0,0,1,0,0|2,0,0]=4 6440 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [1,0,0,1,0,0|1,0,1]=4 6441 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [1,0,0,1,0,0|1,0,1]=4 6442 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [1,0,0,1,0,0|1,0,0]=3 6443 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,0,0,1,0,0|1,0,1]=4 6444 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,0,0,1,0,0|1,0,1]=4 6445 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [1,0,0,1,0,0|1,0,1]=4 6446 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,0,0,1,0,0|1,0,1]=4 6447 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,0,0,1,0,0|1,0,1]=4 6448 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [1,0,0,1,0,0|1,0,1]=4 6449 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [1,0,0,1,0,0|1,0,1]=4 6450 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [1,0,0,1,0,0|1,0,1]=4 6451 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [1,0,0,1,0,0|1,0,1]=4 6452 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [1,0,0,1,0,0|1,0,1]=4 6453 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [1,0,0,1,0,0|1,0,1]=4 6454 B8R1.8 CCCN1CC=CC1 269982a_100015195280_100000210303 [1,0,0,1,0,0|1,0,0]=3 6455 B8R1.8 CCNC1CC=CC1 2230a_100015188752_100000210202 [1,0,0,1,0,0|1,0,0]=3 6456 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [1,0,0,1,0,0|1,0,1]=4 6457 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [1,0,0,1,0,0|1,0,1]=4 6458 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [1,0,0,1,0,0|1,0,1]=4 6459 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [1,0,0,1,0,0|1,0,1]=4 6460 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [1,0,0,1,0,0|1,0,1]=4 6461 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [1,0,0,1,0,0|1,0,1]=4 6462 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [1,0,0,1,0,0|1,0,1]=4 6463 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [1,0,0,1,0,0|1,0,1]=4 6464 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [1,0,0,1,0,0|1,0,1]=4 6465 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [1,0,0,1,0,0|1,0,1]=4 6466 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [1,0,0,1,0,0|1,0,1]=4 6467 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [1,0,0,1,0,0|1,0,1]=4 6468 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [1,0,0,1,0,0|1,0,1]=4 6469 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [1,0,0,1,0,0|1,0,1]=4 6470 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [1,0,0,1,0,0|1,0,1]=4 6471 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [1,0,0,1,0,0|1,0,1]=4 6472 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [1,0,0,1,0,0|1,0,1]=4 6473 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [1,0,0,1,0,0|1,0,1]=4 6474 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [1,0,0,1,0,0|1,0,1]=4 6475 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [1,0,0,1,0,0|1,0,1]=4 6476 B8R1.8 COCC1CC=CC1 34a_100000688395_200000210301 [1,0,0,1,0,0|1,0,0]=3 6477 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [1,0,0,1,0,0|1,0,1]=4 6478 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [1,0,0,1,0,0|1,0,1]=4 6479 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [1,0,0,1,0,0|1,0,1]=4 6480 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [1,0,0,1,0,0|1,0,1]=4 6481 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [1,0,0,1,0,0|1,0,1]=4 6482 B8R1.8 COCC1COCO1 34a_100011216627_200000210301 [1,0,0,1,0,0|2,0,0]=4 6483 B8R1.8 COCN1CC=CC1 269982a_100015195280_100000766300 [1,0,0,1,0,0|2,0,0]=4 6484 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [1,0,0,1,0,0|1,0,1]=4 6485 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [1,0,0,1,0,0|1,0,1]=4 6486 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [1,0,0,1,0,0|1,0,1]=4 6487 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [1,0,0,1,0,0|1,0,1]=4 6488 B8R1.8 CSCN1CC=CC1 269982a_100015195280_100011218213 [1,0,0,1,0,0|2,0,0]=4 6489 B8R1.8 FCCN1CC=CC1 269982a_100015195280_100011217306 [1,0,0,1,0,0|2,0,0]=4 6490 B8R1.8 FCNC1CCCC1 34a_100000211070_100015361967 [1,0,0,1,0,0|2,0,0]=4 6491 B8R1.8 FCOC1CCCC1 34a_100000210269_100015361967 [1,0,0,1,0,0|2,0,0]=4 6492 B8R1.8 FCOC1CCCC1 7a_100000210269_100015361967 [1,0,0,1,0,0|2,0,0]=4 6493 B8R1.8 FCSC1CCCC1 62a_100011217020_100015361967 [1,0,0,1,0,0|2,0,0]=4 6494 B8R1.8 FCSC1CCCC1 62a_100015361967_100000179811 [1,0,0,1,0,0|2,0,0]=4 6495 B8R1.8 OCCN1CC=CC1 269982a_100015195280_100000211926 [1,0,0,1,0,0|2,0,0]=4 6496 B8R1.8 OCCN1CCCC1 2230a_100000188435_100000211926 [1,0,0,1,0,0|1,0,1]=4 6497 B8R1.8 OCCN1CCCC1 269982a_100000188435_100000211926 [1,0,0,1,0,0|1,0,1]=4 6498 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [1,0,0,1,0,0|1,0,1]=4 6499 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [1,0,0,1,0,0|1,0,1]=4 6500 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [1,0,0,1,0,0|1,0,1]=4 6501 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [1,0,0,1,0,0|1,0,1]=4 6502 B8R1.8 [13CH3]OCC1CC=CC1 34a_100000688395_200025704644 [1,0,0,1,0,0|1,0,0]=3 6503 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [1,0,0,1,0,0|1,0,1]=4 6504 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [1,0,0,1,0,0|1,0,1]=4 6505 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [1,0,0,1,0,0|1,0,1]=4 6506 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [1,0,0,1,0,0|1,0,1]=4 6507 B8R1.8 [13CH3]OCC1COCO1 34a_100011216627_200025704644 [1,0,0,1,0,0|2,0,0]=4 6508 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [1,0,0,1,0,0|1,0,1]=4 6509 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [1,0,0,1,0,0|1,0,1]=4 6510 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [1,0,0,1,0,0|1,0,1]=4 6511 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [1,0,0,1,0,0|1,0,1]=4 6512 B8R1.9 CC1CC1COCF 34a_100000744939_100015361967 [1,0,0,1,0,0|2,0,0]=4 6513 B8R1.9 CC1CC1COCF 7a_100000744939_100015361967 [1,0,0,1,0,0|2,0,0]=4 6514 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [1,0,0,1,0,0|1,0,1]=4 6515 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [1,0,0,1,0,0|1,0,1]=4 6516 B8R1.10 C/C=C/CN1CCC1 269982a_100000754969_100102629194 [1,0,0,1,0,0|1,0,0]=3 6517 B8R1.10 CC=NNC1CCC1 4a_100000736358_200000210099 [1,0,0,1,0,0|2,0,0]=4 6518 B8R1.10 CCNCC1CCC1 2230a_100000738700_100000210202 [1,0,0,1,0,0|1,0,1]=4 6519 B8R1.10 CCNCC1CCC1 2230a_100015525214_100000763275 [1,0,0,1,0,0|1,0,1]=4 6520 B8R1.10 CCNCC1CCC1 269862a_100015525214_100000753134 [1,0,0,1,0,0|1,0,1]=4 6521 B8R1.10 CCNCC1CCC1 34a_100000738700_100000210202 [1,0,0,1,0,0|1,0,1]=4 6522 B8R1.10 CCNCC1CCO1 2230a_100015525214_100000103362 [1,0,0,1,0,0|1,0,1]=4 6523 B8R1.10 CCNC[C@@H]1CCO1 2230a_100020831831_100000210202 [1,0,0,1,0,0|1,0,1]=4 6524 B8R1.10 CCNC[C@@H]1CCO1 34a_100020831831_100000210202 [1,0,0,1,0,0|1,0,1]=4 6525 B8R1.10 CCOCC1CCC1 34a_100000760304_100000210202 [1,0,0,1,0,0|1,0,1]=4 6526 B8R1.10 CCOCC1CCC1 34a_100121572206_100000763275 [1,0,0,1,0,0|1,0,1]=4 6527 B8R1.10 CCOCC1CCO1 34a_100000039022_100000210202 [1,0,0,1,0,0|1,0,1]=4 6528 B8R1.10 CCOCC1CCO1 34a_100121572206_100000103362 [1,0,0,1,0,0|1,0,1]=4 6529 B8R1.10 CCSCC1CCC1 62a_100000210202_100000763275 [1,0,0,1,0,0|1,0,1]=4 6530 B8R1.10 CCSCC1CCC1 62a_100000763275_100000210202 [1,0,0,1,0,0|1,0,1]=4 6531 B8R1.10 CCSCC1CCO1 62a_100000103362_100000210202 [1,0,0,1,0,0|1,0,1]=4 6532 B8R1.10 CCSCC1CCO1 62a_100000210202_100000103362 [1,0,0,1,0,0|1,0,1]=4 6533 B8R1.10 FCNCC1CCC1 34a_100000738700_100015361967 [1,0,0,1,0,0|2,0,0]=4 6534 B8R1.10 FCOCC1CCC1 34a_100000760304_100015361967 [1,0,0,1,0,0|2,0,0]=4 6535 B8R1.10 FCSCC1CCC1 62a_100000763275_100015361967 [1,0,0,1,0,0|2,0,0]=4 6536 B8R1.10 FCSCC1CCC1 62a_100015361967_100000763275 [1,0,0,1,0,0|2,0,0]=4 6537 B8R1.10 OCCCN1CCC1 269982a_100000754969_100011215043 [1,0,0,1,0,0|1,0,1]=4 6538 B8R1.10 OCCNC1CCC1 2230a_100000749019_100000211926 [1,0,0,1,0,0|1,0,1]=4 6539 B8R1.10 OCCNC1CCC1 270004a_100000210304_100000241760 [1,0,0,1,0,0|1,0,1]=4 6540 B8R1.10 OCCNC1CCC1 34a_100000749019_100000211926 [1,0,0,1,0,0|1,0,1]=4 6541 B8R1.10 OCCNC1CCC1 34a_100016990907_100000749161 [1,0,0,1,0,0|1,0,1]=4 6542 B8R1.10 OCCOC1CCC1 34a_100000748187_100000211926 [1,0,0,1,0,0|1,0,1]=4 6543 B8R1.10 OCCSC1CCC1 62a_100000211926_100000749161 [1,0,0,1,0,0|1,0,1]=4 6544 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [1,0,0,1,0,0|1,0,1]=4 6545 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [1,0,0,1,0,0|1,0,1]=4 6546 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [1,0,0,1,0,0|1,0,1]=4 6547 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [1,0,0,1,0,0|1,0,1]=4 6548 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [1,0,0,1,0,0|1,0,1]=4 6549 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [1,0,0,1,0,0|1,0,1]=4 6550 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [1,0,0,1,0,0|1,0,1]=4 6551 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [1,0,0,1,0,0|1,0,1]=4 6552 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [1,0,0,1,0,0|1,0,1]=4 6553 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [1,0,0,1,0,0|1,0,1]=4 6554 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [1,0,0,1,0,0|1,0,1]=4 6555 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [1,0,0,1,0,0|1,0,1]=4 6556 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [1,0,0,1,0,0|1,0,1]=4 6557 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [1,0,0,1,0,0|1,0,1]=4 6558 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [1,0,0,1,0,0|1,0,1]=4 6559 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [1,0,0,1,0,0|1,0,1]=4 6560 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [1,0,0,1,0,0|1,0,1]=4 6561 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [1,0,0,1,0,0|1,0,1]=4 6562 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [1,0,0,1,0,0|1,0,1]=4 6563 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [1,0,0,1,0,0|1,0,1]=4 6564 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [1,0,0,1,0,0|1,0,1]=4 6565 B8R1.11 C[C@@H]1CCCN1CF 269982a_100015189458_100015361967 [1,0,0,1,0,0|2,0,0]=4 6566 B8R1.11 C[C@@H]1CCCN1CF 34a_100015189458_100015361967 [1,0,0,1,0,0|2,0,0]=4 6567 B8R1.11 C[C@H]1CCCN1CF 269982a_100020605311_100015361967 [1,0,0,1,0,0|2,0,0]=4 6568 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [1,0,0,1,0,0|1,0,1]=4 6569 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [1,0,0,1,0,0|1,0,1]=4 6570 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [1,0,0,1,0,0|1,0,1]=4 6571 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [1,0,0,1,0,0|1,0,1]=4 6572 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [1,0,0,1,0,0|1,0,1]=4 6573 B8R1.13 CC1CCN1CCO 269982a_100000755817_100000211926 [1,0,0,1,0,0|1,0,1]=4 6574 B8R1.13 CC1CCN1CCO 34a_100000755817_100000211926 [1,0,0,1,0,0|1,0,1]=4 6575 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [1,0,0,1,0,0|1,0,1]=4 6576 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [1,0,0,1,0,0|1,0,1]=4 6577 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [1,0,0,1,0,0|1,0,1]=4 6578 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [1,0,0,1,0,0|1,0,1]=4 6579 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [1,0,0,1,0,0|1,0,1]=4 6580 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [1,0,0,1,0,0|1,0,1]=4 6581 B8R1.36 C/C=C/CNC1CC1 34a_100000212008_100102629194 [1,0,0,1,0,0|1,0,0]=3 6582 B8R1.36 C/C=C/COC1CC1 34a_100016270725_100000211595 [1,0,0,1,0,0|1,0,0]=3 6583 B8R1.36 C/C=C/CSC1CC1 62a_100102629194_100000211595 [1,0,0,1,0,0|1,0,0]=3 6584 B8R1.36 CC=CCNC1CC1 34a_100000212008_100000070051 [1,0,0,1,0,0|1,0,0]=3 6585 B8R1.36 CC=CCSC1CC1 62a_100000070051_100000211595 [1,0,0,1,0,0|1,0,0]=3 6586 B8R1.36 CC=NNCC1CC1 4a_100000736359_200000210099 [1,0,0,1,0,0|2,0,0]=4 6587 B8R1.36 CCCOCC1CO1 34a_100000210258_102125554688 [1,0,0,1,0,0|1,0,1]=4 6588 B8R1.36 CCCOC[C@@H]1CO1 34a_100000757423_100000210303 [1,0,0,1,0,0|1,0,1]=4 6589 B8R1.36 CCCSCC1CO1 62a_100000210303_102125554688 [1,0,0,1,0,0|1,0,1]=4 6590 B8R1.36 CCCSCC1CO1 62a_102125554688_100000210303 [1,0,0,1,0,0|1,0,1]=4 6591 B8R1.36 CCCSC[C@@H]1CO1 62a_100000210303_100000745022 [1,0,0,1,0,0|1,0,1]=4 6592 B8R1.36 CCCSC[C@@H]1CO1 62a_100000745022_100000210303 [1,0,0,1,0,0|1,0,1]=4 6593 B8R1.36 CCNCCC1CC1 2230a_100015525214_100000694398 [1,0,0,1,0,0|1,0,1]=4 6594 B8R1.36 CCNCCC1CC1 34a_100000764129_100000210202 [1,0,0,1,0,0|1,0,1]=4 6595 B8R1.36 CCNCCC1CO1 2230a_100015525214_100000732470 [1,0,0,1,0,0|1,0,1]=4 6596 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [1,0,0,1,0,0|1,0,1]=4 6597 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [1,0,0,1,0,0|1,0,1]=4 6598 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [1,0,0,1,0,0|1,0,1]=4 6599 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [1,0,0,1,0,0|1,0,1]=4 6600 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [1,0,0,1,0,0|1,0,1]=4 6601 B8R1.36 CCSCCC1CC1 62a_100000210202_100000764125 [1,0,0,1,0,0|1,0,1]=4 6602 B8R1.36 CCSCCC1CC1 62a_100000764125_100000210202 [1,0,0,1,0,0|1,0,1]=4 6603 B8R1.36 CCSCCC1CO1 62a_100000210202_100000732470 [1,0,0,1,0,0|1,0,1]=4 6604 B8R1.36 CCSCCC1CO1 62a_100000732470_100000210202 [1,0,0,1,0,0|1,0,1]=4 6605 B8R1.36 CNCCCC1CO1 2230a_106832991635_100000733510 [1,0,0,1,0,0|1,0,1]=4 6606 B8R1.36 CNCCCC1CO1 34a_100102657272_100000733510 [1,0,0,1,0,0|1,0,1]=4 6607 B8R1.36 CNCCCC1CO1 7a_106832991635_100000733510 [1,0,0,1,0,0|1,0,1]=4 6608 B8R1.36 COCCCC1CO1 34a_100138415774_100000733510 [1,0,0,1,0,0|1,0,1]=4 6609 B8R1.36 CSCCCC1CO1 62a_100000733510_200000210301 [1,0,0,1,0,0|1,0,1]=4 6610 B8R1.36 CSCCCC1CO1 62a_200000210301_100000733510 [1,0,0,1,0,0|1,0,1]=4 6611 B8R1.36 FCNCCC1CC1 34a_100000764129_100015361967 [1,0,0,1,0,0|2,0,0]=4 6612 B8R1.36 FCOCCC1CC1 34a_100000754188_100015361967 [1,0,0,1,0,0|2,0,0]=4 6613 B8R1.36 FCOCCC1CC1 7a_100000754188_100015361967 [1,0,0,1,0,0|2,0,0]=4 6614 B8R1.36 FCSCCC1CC1 62a_100000764125_100015361967 [1,0,0,1,0,0|2,0,0]=4 6615 B8R1.36 FCSCCC1CC1 62a_100015361967_100000764125 [1,0,0,1,0,0|2,0,0]=4 6616 B8R1.36 OCCCNC1CC1 34a_100000212008_100000230001 [1,0,0,1,0,0|1,0,1]=4 6617 B8R1.36 OCCCSC1CC1 62a_100011215043_100000211595 [1,0,0,1,0,0|1,0,1]=4 6618 B8R1.36 OCCNCC1CC1 2230a_100000735609_100000211926 [1,0,0,1,0,0|1,0,1]=4 6619 B8R1.36 OCCNCC1CC1 2230a_100016997473_100000742324 [1,0,0,1,0,0|1,0,1]=4 6620 B8R1.36 OCCNCC1CC1 269862a_100000210304_100000741477 [1,0,0,1,0,0|1,0,1]=4 6621 B8R1.36 OCCNCC1CC1 34a_100000735609_100000211926 [1,0,0,1,0,0|1,0,1]=4 6622 B8R1.36 OCCNCC1CC1 34a_100016990907_100000742324 [1,0,0,1,0,0|1,0,1]=4 6623 B8R1.36 OCCOCC1CC1 34a_100000211283_100000211926 [1,0,0,1,0,0|1,0,1]=4 6624 B8R1.36 OCCSCC1CC1 62a_100000211926_100000742324 [1,0,0,1,0,0|1,0,1]=4 6625 B8R1.36 OCCSCC1CC1 62a_100000756562_100000211926 [1,0,0,1,0,0|1,0,1]=4 6626 B8R1.36 [13CH3]SCCCC1CO1 62a_100000733510_200025704644 [1,0,0,1,0,0|1,0,1]=4 6627 B8R1.36 [13CH3]SCCCC1CO1 62a_200025704644_100000733510 [1,0,0,1,0,0|1,0,1]=4 6628 B10R1.10 CCCN1CCC=C(C1)C 2230a_100000725631_100000210303 [0,1,0,1,0,0|2,0,0]=4 6629 B10R1.10 CCCN1CCC=C(C1)C 269982a_100000725631_100000210303 [0,1,0,1,0,0|2,0,0]=4 6630 B10R1.10 CCCN1CCC=C(C1)C 34a_100000725631_100000210303 [0,1,0,1,0,0|2,0,0]=4 6631 B10R1.10 C[C@H]1CCCN(C1)CCO 2230a_100000717927_100000211926 [0,1,0,1,0,0|1,0,1]=4 6632 B10R1.10 C[C@H]1CCCN(C1)CCO 269982a_100000717927_100000211926 [0,1,0,1,0,0|1,0,1]=4 6633 B10R1.10 C[C@H]1CCCN(C1)CCO 34a_100000717927_100000211926 [0,1,0,1,0,0|1,0,1]=4 6634 B10R1.10 OCCN1CCCC(C1)F 2230a_100000697950_100000211926 [0,1,0,1,0,0|1,0,1]=4 6635 B10R1.10 OCCN1CCCC(C1)F 269982a_100000697950_100000211926 [0,1,0,1,0,0|1,0,1]=4 6636 B10R1.10 OCCN1CCCC(C1)F 34a_100000697950_100000211926 [0,1,0,1,0,0|1,0,1]=4 6637 B10R1.10 OCCN1CCCC(C1)O 2230a_100000211013_100000211926 [0,1,0,1,0,0|1,0,1]=4 6638 B10R1.10 OCCN1CCCC(C1)O 269982a_100000211013_100000211926 [0,1,0,1,0,0|1,0,1]=4 6639 B10R1.16 CC1CCC(C1)NCCO 270004a_100000210304_100011215218 [0,1,0,1,0,0|1,0,1]=4 6640 B10R1.16 CC1CCC(C1)OCCO 34a_100000698185_100000211926 [0,1,0,1,0,0|1,0,1]=4 6641 B10R1.16 CCOC[C@@H]1C=C[C@@H](C1)N 34a_100020646542_100000210202 [0,1,0,1,0,0|2,0,0]=4 6642 B10R1.16 OCCNC1CCC(C1)O 270004a_100000210304_100012614533 [0,1,0,1,0,0|1,0,1]=4 6643 B10R1.16 OCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000211926 [0,1,0,1,0,0|1,0,1]=4 6644 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [0,1,0,1,0,0|0,0,2]=4 6645 B10R1.18 CC(C)CN1CC=CCC1 2230a_100000698166_100000210760 [0,1,0,1,0,0|2,0,0]=4 6646 B10R1.18 CC(C)CN1CC=CCC1 269982a_100000698166_100000210624 [0,1,0,1,0,0|2,0,0]=4 6647 B10R1.18 CC(C)CN1CC=CCC1 270004a_100000698166_100000210432 [0,1,0,1,0,0|2,0,0]=4 6648 B10R1.18 CC(C)CN1CC=CCC1 34a_100000698166_100000210624 [0,1,0,1,0,0|2,0,0]=4 6649 B10R1.18 CC(C)OC1CC=CCC1 34a_100000073881_100000210206 [0,1,0,1,0,0|2,0,0]=4 6650 B10R1.18 CC(O)CN1CC=CCC1 2230a_100000698166_100011218427 [0,1,0,1,0,0|2,0,0]=4 6651 B10R1.18 CC(O)CN1CC=CCC1 269982a_100000698166_100011218427 [0,1,0,1,0,0|2,0,0]=4 6652 B10R1.18 CC(O)CN1CC=CCC1 34a_100000698166_100011218427 [0,1,0,1,0,0|2,0,0]=4 6653 B10R1.18 CN(C)CC1CC=CCC1 270004a_100102631434_100000189434 [0,1,0,1,0,0|2,0,0]=4 6654 B10R1.18 C[C@@H](O)CN1CC=CCC1 2230a_100000698166_100009817552 [0,1,0,1,0,0|2,0,0]=4 6655 B10R1.18 C[C@@H](O)CN1CC=CCC1 269982a_100000698166_100009817552 [0,1,0,1,0,0|2,0,0]=4 6656 B10R1.18 C[C@@H](O)CN1CC=CCC1 34a_100000698166_100009817552 [0,1,0,1,0,0|2,0,0]=4 6657 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [0,1,0,1,0,0|0,0,2]=4 6658 B10R1.24 CC/C=C\CN1CC(C1)C 2230a_100000702820_100103147603 [0,1,0,1,0,0|2,0,0]=4 6659 B10R1.24 CC/C=C\CN1CC(C1)C 269982a_100000702820_100103147603 [0,1,0,1,0,0|2,0,0]=4 6660 B10R1.24 CC/C=C\CN1CC(C1)C 34a_100000702820_100103147603 [0,1,0,1,0,0|2,0,0]=4 6661 B10R1.24 CC/C=C\CN1CC(C1)F 2230a_100000690557_100103147603 [0,1,0,1,0,0|2,0,0]=4 6662 B10R1.24 CC/C=C\CN1CC(C1)F 269982a_100000690557_100103147603 [0,1,0,1,0,0|2,0,0]=4 6663 B10R1.24 CC/C=C\CN1CC(C1)F 34a_100000690557_100103147603 [0,1,0,1,0,0|2,0,0]=4 6664 B10R1.24 CC/C=C\CN1CC(C1)O 269982a_100000749847_100103147603 [0,1,0,1,0,0|2,0,0]=4 6665 B10R1.24 CCCCCN1CC(C1)O 269982a_100000749847_100000210215 [0,1,0,1,0,0|1,0,1]=4 6666 B10R1.24 OCCNCC1CC(C1)O 2230a_100016992100_100000211926 [0,1,0,1,0,0|1,0,1]=4 6667 B10R1.24 OCCOCC1CC(C1)Cl 34a_100009874164_100000211926 [0,1,0,1,0,0|1,0,1]=4 6668 B10R1.56 CC/C=C\CN[C@@H]1C[C@@H]1F 2230a_100015190264_100103147603 [0,1,0,1,0,0|2,0,0]=4 6669 B10R1.56 CC/C=C\CN[C@@H]1C[C@H]1F 2230a_100025746932_100103147603 [0,1,0,1,0,0|2,0,0]=4 6670 B10R1.56 CC/C=C\CN[C@@H]1C[C@H]1F 34a_100025746932_100103147603 [0,1,0,1,0,0|2,0,0]=4 6671 B10R1.56 CC1CC1COCCCO 34a_100000744939_100000230001 [0,1,0,1,0,0|0,0,2]=4 6672 B10R1.56 CC1CC1COCCCO 7a_100000744939_100011215043 [0,1,0,1,0,0|0,0,2]=4 6673 B10R1.56 COCCOCC1CC1C 34a_100000744939_100011201679 [0,1,0,1,0,0|1,0,1]=4 6674 B10R1.56 COCCOCC1CC1C 7a_100000744939_100000233755 [0,1,0,1,0,0|1,0,1]=4 6675 B10R1.64 CC(O)CN1CCC[C@@H]1C 2230a_100020605311_100011218427 [0,1,0,1,0,0|1,0,1]=4 6676 B10R1.64 CC(O)CN1CCC[C@@H]1C 269982a_100020605311_100011218427 [0,1,0,1,0,0|1,0,1]=4 6677 B10R1.64 CC(O)CN1CCC[C@H]1C 2230a_100015189458_100011218427 [0,1,0,1,0,0|1,0,1]=4 6678 B10R1.64 CC(O)CN1CCC[C@H]1C 269982a_100015189458_100011218427 [0,1,0,1,0,0|1,0,1]=4 6679 B10R1.64 CC(O)CN1CCC[C@H]1C 34a_100015189458_100011218427 [0,1,0,1,0,0|1,0,1]=4 6680 B10R1.64 C[C@@H](O)CN1CCC[C@@H]1C 2230a_100020605311_100009817552 [0,1,0,1,0,0|1,0,1]=4 6681 B10R1.64 C[C@@H](O)CN1CCC[C@@H]1C 269982a_100020605311_100009817552 [0,1,0,1,0,0|1,0,1]=4 6682 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 2230a_100015189458_100009817552 [0,1,0,1,0,0|1,0,1]=4 6683 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 269982a_100015189458_100009817552 [0,1,0,1,0,0|1,0,1]=4 6684 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 34a_100015189458_100009817552 [0,1,0,1,0,0|1,0,1]=4 6685 B10R1.66 CC(O)CNC1CCCC1 2230a_100000210904_100000179811 [0,1,0,1,0,0|1,0,1]=4 6686 B10R1.66 CC(O)CNC1CCCC1 2230a_100000211070_100011218427 [0,1,0,1,0,0|1,0,1]=4 6687 B10R1.66 CC(O)CNC1CCCC1 270004a_100000210904_100000210133 [0,1,0,1,0,0|1,0,1]=4 6688 B10R1.66 CC(O)CNC1CCCC1 34a_100000210904_100000179811 [0,1,0,1,0,0|1,0,1]=4 6689 B10R1.66 CC(O)CNC1CCCC1 34a_100000211070_100011218427 [0,1,0,1,0,0|1,0,1]=4 6690 B10R1.66 CC(O)COC1CCCC1 34a_100000210269_100011218427 [0,1,0,1,0,0|1,0,1]=4 6691 B10R1.66 CC(O)COC1CCCC1 7a_100000210269_100011218427 [0,1,0,1,0,0|1,0,1]=4 6692 B10R1.66 CC(O)CSC1CCCC1 62a_100011217020_100011218427 [0,1,0,1,0,0|1,0,1]=4 6693 B10R1.66 CC(O)CSC1CCCC1 62a_100011218427_100000179811 [0,1,0,1,0,0|1,0,1]=4 6694 B10R1.66 C[C@@H](O)CNC1CCCC1 2230a_100000211070_100009817552 [0,1,0,1,0,0|1,0,1]=4 6695 B10R1.66 C[C@@H](O)CNC1CCCC1 34a_100000211070_100009817552 [0,1,0,1,0,0|1,0,1]=4 6696 B10R1.66 C[C@@H](O)COC1CCCC1 34a_100000210269_100009817552 [0,1,0,1,0,0|1,0,1]=4 6697 B10R1.66 C[C@@H](O)COC1CCCC1 7a_100000210269_100009817552 [0,1,0,1,0,0|1,0,1]=4 6698 B10R1.66 C[C@@H](O)CSC1CCCC1 62a_100009817552_100000179811 [0,1,0,1,0,0|1,0,1]=4 6699 B10R1.66 C[C@@H](O)CSC1CCCC1 62a_100011217020_100009817552 [0,1,0,1,0,0|1,0,1]=4 6700 B10R1.73 CC(O)COCC1CC1C 34a_100000744939_100011218427 [0,1,0,1,0,0|1,0,1]=4 6701 B10R1.73 CC(O)COCC1CC1C 7a_100000744939_100011218427 [0,1,0,1,0,0|1,0,1]=4 6702 B10R1.73 CC1CC1COC[C@@H](C)O 34a_100000744939_100009817552 [0,1,0,1,0,0|1,0,1]=4 6703 B10R1.73 CC1CC1COC[C@@H](C)O 7a_100000744939_100009817552 [0,1,0,1,0,0|1,0,1]=4 6704 B10R1.126 CC(O)CNCCC1CC1 2230a_100000210904_100000694398 [0,1,0,1,0,0|1,0,1]=4 6705 B10R1.126 CC(O)CNCCC1CC1 34a_100000210904_100000694398 [0,1,0,1,0,0|1,0,1]=4 6706 B10R1.126 CC(O)CNCCC1CC1 34a_100000764129_100011218427 [0,1,0,1,0,0|1,0,1]=4 6707 B10R1.126 CC(O)COCCC1CC1 34a_100000754188_100011218427 [0,1,0,1,0,0|1,0,1]=4 6708 B10R1.126 CC(O)COCCC1CC1 7a_100000754188_100011218427 [0,1,0,1,0,0|1,0,1]=4 6709 B10R1.126 CC(O)CSCCC1CC1 62a_100000764125_100011218427 [0,1,0,1,0,0|1,0,1]=4 6710 B10R1.126 CC(O)CSCCC1CC1 62a_100011218427_100000764125 [0,1,0,1,0,0|1,0,1]=4 6711 B10R1.126 C[C@@H](O)CNCCC1CC1 34a_100000764129_100009817552 [0,1,0,1,0,0|1,0,1]=4 6712 B10R1.126 C[C@@H](O)COCCC1CC1 34a_100000754188_100009817552 [0,1,0,1,0,0|1,0,1]=4 6713 B10R1.126 C[C@@H](O)COCCC1CC1 7a_100000754188_100009817552 [0,1,0,1,0,0|1,0,1]=4 6714 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100000764125_100009817552 [0,1,0,1,0,0|1,0,1]=4 6715 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100009817552_100000764125 [0,1,0,1,0,0|1,0,1]=4 6716 B10R1.126 OB(O)/C=C/CNC1CC1 34a_100000212008_100016262062 [0,1,0,1,0,0|2,0,0]=4 6717 B10R1.126 OB(O)/C=C/CSC1CC1 62a_100016262062_100000211595 [0,1,0,1,0,0|2,0,0]=4 6718 B10R1.127 CC(O)CNCC1CCC1 2230a_100000210904_100000763275 [0,1,0,1,0,0|1,0,1]=4 6719 B10R1.127 CC(O)CNCC1CCC1 2230a_100000738700_100011218427 [0,1,0,1,0,0|1,0,1]=4 6720 B10R1.127 CC(O)CNCC1CCC1 269862a_100000210904_100000753134 [0,1,0,1,0,0|1,0,1]=4 6721 B10R1.127 CC(O)CNCC1CCC1 34a_100000210904_100000763275 [0,1,0,1,0,0|1,0,1]=4 6722 B10R1.127 CC(O)CNCC1CCC1 34a_100000738700_100011218427 [0,1,0,1,0,0|1,0,1]=4 6723 B10R1.127 CC(O)COCC1CCC1 34a_100000760304_100011218427 [0,1,0,1,0,0|1,0,1]=4 6724 B10R1.127 CC(O)CSCC1CCC1 62a_100000763275_100011218427 [0,1,0,1,0,0|1,0,1]=4 6725 B10R1.127 CC(O)CSCC1CCC1 62a_100011218427_100000763275 [0,1,0,1,0,0|1,0,1]=4 6726 B10R1.127 C[C@@H](O)CNCC1CCC1 2230a_100000738700_100009817552 [0,1,0,1,0,0|1,0,1]=4 6727 B10R1.127 C[C@@H](O)CNCC1CCC1 34a_100000738700_100009817552 [0,1,0,1,0,0|1,0,1]=4 6728 B10R1.127 C[C@@H](O)COCC1CCC1 34a_100000760304_100009817552 [0,1,0,1,0,0|1,0,1]=4 6729 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100000763275_100009817552 [0,1,0,1,0,0|1,0,1]=4 6730 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100009817552_100000763275 [0,1,0,1,0,0|1,0,1]=4 6731 B10R1.127 OB(O)/C=C/CN1CCC1 269982a_100000754969_100016262062 [0,1,0,1,0,0|2,0,0]=4 6732 B10R1.133 CC1(CCCN1CCO)C 2230a_100000761399_100000211926 [0,1,0,1,0,0|1,0,1]=4 6733 B10R1.133 CC1(CCCN1CCO)C 269982a_100000761399_100000211926 [0,1,0,1,0,0|1,0,1]=4 6734 B10R1.133 CC1(CCCN1CCO)C 34a_100000761399_100000211926 [0,1,0,1,0,0|1,0,1]=4 6735 B10R1.177 CC/C=C\CCNC1CC1 34a_100000212008_100015370543 [0,1,0,1,0,0|1,0,0]=3 6736 B10R1.177 CC/C=C\CCOC1CC1 34a_100016288707_100000211595 [0,1,0,1,0,0|1,0,0]=3 6737 B10R1.177 CC/C=C\CCSC1CC1 62a_100015370543_100000211595 [0,1,0,1,0,0|1,0,0]=3 6738 B10R1.177 CC/C=C\CNCC1CC1 2230a_100000735609_100103147603 [0,1,0,1,0,0|1,0,0]=3 6739 B10R1.177 CC/C=C\CNCC1CC1 34a_100000735609_100103147603 [0,1,0,1,0,0|1,0,0]=3 6740 B10R1.177 CC/C=C\COCC1CC1 34a_100000211283_100103147603 [0,1,0,1,0,0|1,0,0]=3 6741 B10R1.177 CC/C=C\COCC1CC1 34a_100016268518_100000742324 [0,1,0,1,0,0|1,0,0]=3 6742 B10R1.177 CC/C=C\COCC1CO1 34a_100016268518_102125554688 [0,1,0,1,0,0|2,0,0]=4 6743 B10R1.177 CC/C=C\COC[C@@H]1CO1 34a_100000757423_100103147603 [0,1,0,1,0,0|2,0,0]=4 6744 B10R1.177 CC/C=C\CSCC1CC1 62a_100000756562_100103147603 [0,1,0,1,0,0|1,0,0]=3 6745 B10R1.177 CC/C=C\CSCC1CC1 62a_100103147603_100000742324 [0,1,0,1,0,0|1,0,0]=3 6746 B10R1.177 CC/C=C\CSCC1CO1 62a_100103147603_102125554688 [0,1,0,1,0,0|2,0,0]=4 6747 B10R1.177 CC/C=C\CSCC1CO1 62a_102125554688_100103147603 [0,1,0,1,0,0|2,0,0]=4 6748 B10R1.177 CC/C=C\CSCC1CS1 62a_100000031435_100103147603 [0,1,0,1,0,0|2,0,0]=4 6749 B10R1.177 CC/C=C\CSCC1CS1 62a_100103147603_100000031435 [0,1,0,1,0,0|2,0,0]=4 6750 B10R1.177 CC/C=C\CSC[C@@H]1CO1 62a_100000745022_100103147603 [0,1,0,1,0,0|2,0,0]=4 6751 B10R1.177 CC/C=C\CSC[C@@H]1CO1 62a_100103147603_100000745022 [0,1,0,1,0,0|2,0,0]=4 6752 B10R1.177 CCC/C=C/COC1CC1 34a_100016278788_100000211595 [0,1,0,1,0,0|2,0,0]=4 6753 B10R1.177 CCCCCNCC1CO1 2230a_100000209983_100011216344 [0,1,0,1,0,0|0,0,2]=4 6754 B10R1.177 CCCCCOCC1CO1 34a_100000210253_102125554688 [0,1,0,1,0,0|0,0,2]=4 6755 B10R1.177 CCCCCOCC1CO1 7a_100000210253_102125554688 [0,1,0,1,0,0|0,0,2]=4 6756 B10R1.177 CCCCCOC[C@@H]1CO1 34a_100000757423_100000718602 [0,1,0,1,0,0|0,0,2]=4 6757 B10R1.177 CCCCCOC[C@@H]1CO1 7a_100000210253_100000745022 [0,1,0,1,0,0|0,0,2]=4 6758 B10R1.177 CCCCCSCC1CO1 62a_100000210326_102125554688 [0,1,0,1,0,0|0,0,2]=4 6759 B10R1.177 CCCCCSCC1CO1 62a_102125554688_100000210326 [0,1,0,1,0,0|0,0,2]=4 6760 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000210326_100000745022 [0,1,0,1,0,0|0,0,2]=4 6761 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000745022_100000210326 [0,1,0,1,0,0|0,0,2]=4 6762 B10R1.177 CCCCNCCC1CO1 2230a_100000102301_100000732470 [0,1,0,1,0,0|0,0,2]=4 6763 B10R1.177 CCCCNCCC1CO1 7a_106832991798_100000732470 [0,1,0,1,0,0|0,0,2]=4 6764 B10R1.177 CCCCOCCC1CO1 34a_100000210227_100000732470 [0,1,0,1,0,0|0,0,2]=4 6765 B10R1.177 CCCCOCCC1CO1 7a_100000210227_100000732470 [0,1,0,1,0,0|0,0,2]=4 6766 B10R1.177 CCCCOCC[C@@H]1CO1 34a_100009820653_100000210210 [0,1,0,1,0,0|0,0,2]=4 6767 B10R1.177 CCCCSCCC1CO1 62a_100000210211_100000732470 [0,1,0,1,0,0|0,0,2]=4 6768 B10R1.177 CCCCSCCC1CO1 62a_100000732470_100000210210 [0,1,0,1,0,0|0,0,2]=4 6769 B10R1.177 CCCOCCCC1CO1 34a_100000210258_100000733510 [0,1,0,1,0,0|0,0,2]=4 6770 B10R1.177 CCCSCCCC1CO1 62a_100000210303_100000733510 [0,1,0,1,0,0|0,0,2]=4 6771 B10R1.177 CCCSCCCC1CO1 62a_100000733510_100000210303 [0,1,0,1,0,0|0,0,2]=4 6772 B10R1.177 COCCNCCC1CC1 2230a_100000209980_100000694398 [0,1,0,1,0,0|1,0,1]=4 6773 B10R1.177 COCCNCCC1CC1 34a_100000764129_100011201679 [0,1,0,1,0,0|1,0,1]=4 6774 B10R1.177 COCCOCCC1CC1 34a_100000210237_100000694398 [0,1,0,1,0,0|1,0,1]=4 6775 B10R1.177 COCCOCCC1CC1 34a_100000754188_100011201679 [0,1,0,1,0,0|1,0,1]=4 6776 B10R1.177 COCCOCCC1CC1 7a_100000754188_100000233755 [0,1,0,1,0,0|1,0,1]=4 6777 B10R1.177 COCCSCCC1CC1 62a_100000233755_100000764125 [0,1,0,1,0,0|1,0,1]=4 6778 B10R1.177 COCCSCCC1CC1 62a_100000764125_100000233755 [0,1,0,1,0,0|1,0,1]=4 6779 B10R1.177 NOCCOCCC1CC1 34a_100000700252_100000694398 [0,1,0,1,0,0|1,0,1]=4 6780 B10R1.177 OCC#CCNCC1CC1 2230a_100000735609_200000047223 [0,1,0,1,0,0|0,0,2]=4 6781 B10R1.177 OCC#CCNCC1CC1 34a_100000735609_200000047223 [0,1,0,1,0,0|0,0,2]=4 6782 B10R1.177 OCC#CCOCC1CC1 34a_100000211283_200000047223 [0,1,0,1,0,0|0,0,2]=4 6783 B10R1.177 OCC#CCSCC1CC1 62a_100000756562_200000047223 [0,1,0,1,0,0|0,0,2]=4 6784 B10R1.177 OCC#CCSCC1CC1 62a_200000047223_100000742324 [0,1,0,1,0,0|0,0,2]=4 6785 B10R1.177 OCCCCCNC1CC1 34a_100000212008_100000746330 [0,1,0,1,0,0|0,0,2]=4 6786 B10R1.177 OCCCCCNC1CC1 34a_100000762737_100000211595 [0,1,0,1,0,0|0,0,2]=4 6787 B10R1.177 OCCCCCSC1CC1 62a_100000746330_100000211595 [0,1,0,1,0,0|0,0,2]=4 6788 B10R1.177 OCCCCNCC1CC1 2230a_100000735609_100000210776 [0,1,0,1,0,0|0,0,2]=4 6789 B10R1.177 OCCCCNCC1CC1 2230a_100000750430_100000742324 [0,1,0,1,0,0|0,0,2]=4 6790 B10R1.177 OCCCCNCC1CC1 269862a_100000750430_100000741477 [0,1,0,1,0,0|0,0,2]=4 6791 B10R1.177 OCCCCNCC1CC1 34a_100000735609_100011216708 [0,1,0,1,0,0|0,0,2]=4 6792 B10R1.177 OCCCCNCC1CC1 34a_100000750430_100000742324 [0,1,0,1,0,0|0,0,2]=4 6793 B10R1.177 OCCCCOCC1CC1 34a_100000211283_100011216708 [0,1,0,1,0,0|0,0,2]=4 6794 B10R1.177 OCCCCSCC1CC1 62a_100000210776_100000742324 [0,1,0,1,0,0|0,0,2]=4 6795 B10R1.177 OCCCCSCC1CC1 62a_100000756562_100000210776 [0,1,0,1,0,0|0,0,2]=4 6796 B10R1.177 OCCCNCCC1CC1 34a_100000764129_100000230001 [0,1,0,1,0,0|0,0,2]=4 6797 B10R1.177 OCCCOCCC1CC1 34a_100000754188_100000230001 [0,1,0,1,0,0|0,0,2]=4 6798 B10R1.177 OCCCOCCC1CC1 7a_100000754188_100011215043 [0,1,0,1,0,0|0,0,2]=4 6799 B10R1.177 OCCCSCCC1CC1 62a_100000764125_100011215043 [0,1,0,1,0,0|0,0,2]=4 6800 B10R1.177 OCCCSCCC1CC1 62a_100011215043_100000764125 [0,1,0,1,0,0|0,0,2]=4 6801 B10R1.177 OCCNCCCC1CO1 2230a_100016997473_100000733510 [0,1,0,1,0,0|1,0,1]=4 6802 B10R1.177 OCCNCCCC1CO1 34a_100016990907_100000733510 [0,1,0,1,0,0|1,0,1]=4 6803 B10R1.177 OCCOCCNC1CC1 34a_100000211614_100000211595 [0,1,0,1,0,0|1,0,1]=4 6804 B10R1.177 OCCOCCNC1CC1 34a_100000212008_100000692535 [0,1,0,1,0,0|1,0,1]=4 6805 B10R1.177 OCCOCCNC1CC1 34a_100000738766_100000211926 [0,1,0,1,0,0|1,0,1]=4 6806 B10R1.177 OCCOCCSC1CC1 62a_100011215305_100000211595 [0,1,0,1,0,0|1,0,1]=4 6807 B10R1.177 OCCSCCCC1CO1 62a_100000211926_100000733510 [0,1,0,1,0,0|1,0,1]=4 6808 B10R1.177 OCCSCCCC1CO1 62a_100000733510_100000211926 [0,1,0,1,0,0|1,0,1]=4 6809 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [0,1,0,1,0,0|1,0,1]=4 6810 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [0,1,0,1,0,0|1,0,1]=4 6811 B10R1.375 CC1(CC1COCCO)C 34a_100000728257_100000211926 [0,1,0,1,0,0|1,0,1]=4 6812 B10R1.375 CC1(CC1COCCO)C 7a_100000728257_100000211926 [0,1,0,1,0,0|1,0,1]=4 6813 B10R1.11 CC=CC(=O)C1CCCC1 1458a_100000210699_100000179811 [0,1,0,1,0,0|1,0,1]=4 6814 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [0,1,0,1,0,0|1,0,1]=4 6815 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [0,1,0,1,0,0|1,0,1]=4 6816 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [0,1,0,1,0,0|2,0,0]=4 6817 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [0,1,0,1,0,0|2,0,0]=4 6818 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [0,1,0,1,0,0|2,0,0]=4 6819 B10R1.11 CN(CCO)C1CCCC1 2230a_100000207505_100000211926 [0,1,0,1,0,0|1,0,1]=4 6820 B10R1.11 CN(CCO)C1CCCC1 2230a_100000210263_100000179811 [0,1,0,1,0,0|1,0,1]=4 6821 B10R1.11 CN(CCO)C1CCCC1 269982a_100000207505_100000211926 [0,1,0,1,0,0|1,0,1]=4 6822 B10R1.11 CN(CCO)C1CCCC1 269982a_100000210263_100000179811 [0,1,0,1,0,0|1,0,1]=4 6823 B10R1.11 CN(CCO)C1CCCC1 269982a_200000200444_200000210301 [0,1,0,1,0,0|1,0,1]=4 6824 B10R1.11 CN(CCO)C1CCCC1 270004a_100000210263_100000210133 [0,1,0,1,0,0|1,0,1]=4 6825 B10R1.11 CN(CCO)C1CCCC1 34a_100000207505_100000211926 [0,1,0,1,0,0|1,0,1]=4 6826 B10R1.11 CN(CCO)C1CCCC1 34a_200000200444_200000210301 [0,1,0,1,0,0|1,0,1]=4 6827 B10R1.11 O=C(C=CBr)C1CCCC1 1458a_100016273825_100000179811 [0,1,0,1,0,0|1,0,1]=4 6828 B10R1.11 O=C(C=CCl)C1CCCC1 1458a_200016279998_100000179811 [0,1,0,1,0,0|1,0,1]=4 6829 B10R1.11 O=C(C=CI)C1CCCC1 1458a_100016256311_100000179811 [0,1,0,1,0,0|1,0,1]=4 6830 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [0,1,0,1,0,0|1,0,1]=4 6831 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [0,1,0,1,0,0|0,0,1]=3 6832 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [0,1,0,1,0,0|0,0,1]=3 6833 B10R1.11 O=C(CCO)C1CCCS1 1458a_100012002731_100000211926 [0,1,0,1,0,0|1,0,1]=4 6834 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011216618_100000690089 [0,1,0,1,0,0|1,0,1]=4 6835 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011219752_100000211926 [0,1,0,1,0,0|1,0,1]=4 6836 B10R1.11 O=C(CCO)N1CCCC1 240690a_100000188435_100011216618 [0,1,0,1,0,0|1,0,1]=4 6837 B10R1.11 O=C(CCO)[C@@H]1CCCO1 1458a_100000686382_100000211926 [0,1,0,1,0,0|1,0,1]=4 6838 B10R1.11 [13CH3]N(CCO)C1CCCC1 269982a_200000200444_200025704644 [0,1,0,1,0,0|1,0,1]=4 6839 B10R1.11 [13CH3]N(CCO)C1CCCC1 34a_200000200444_200025704644 [0,1,0,1,0,0|1,0,1]=4 6840 B10R1.21 CC/C=C\CN1CCCC1 2230a_100000188435_100103147603 [0,1,0,1,0,0|1,0,0]=3 6841 B10R1.21 CC/C=C\CN1CCCC1 269982a_100000188435_100103147603 [0,1,0,1,0,0|1,0,0]=3 6842 B10R1.21 CC/C=C\CN1CCSC1 2230a_100011215254_100103147603 [0,1,0,1,0,0|2,0,0]=4 6843 B10R1.21 CC/C=C\CN1CCSC1 269982a_100011215254_100103147603 [0,1,0,1,0,0|2,0,0]=4 6844 B10R1.21 CCC=NNC1CCCC1 4a_100000737850_100000210100 [0,1,0,1,0,0|2,0,0]=4 6845 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [0,1,0,1,0,0|0,0,2]=4 6846 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [0,1,0,1,0,0|0,0,2]=4 6847 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [0,1,0,1,0,0|0,0,2]=4 6848 B10R1.21 CCCCSc1ccoc1 62a_100000210211_100011215275 [0,1,0,1,0,0|1,0,1]=4 6849 B10R1.21 CCCCSc1ccoc1 62a_100011215275_100000210210 [0,1,0,1,0,0|1,0,1]=4 6850 B10R1.21 CCCCSc1ccon1 62a_100000210211_100009818083 [0,1,0,1,0,0|1,0,1]=4 6851 B10R1.21 CCCCSc1ccon1 62a_100009818083_100000210210 [0,1,0,1,0,0|1,0,1]=4 6852 B10R1.21 CCCCSc1cnco1 62a_100000210211_100020591547 [0,1,0,1,0,0|1,0,1]=4 6853 B10R1.21 CCCCSc1cnco1 62a_100020591547_100000210210 [0,1,0,1,0,0|1,0,1]=4 6854 B10R1.21 CCCCSc1cnoc1 62a_100000210211_100009815712 [0,1,0,1,0,0|2,0,0]=4 6855 B10R1.21 CCCCSc1cnoc1 62a_100009815712_100000210210 [0,1,0,1,0,0|2,0,0]=4 6856 B10R1.21 CCCCSc1ncco1 62a_100000210211_100011787736 [0,1,0,1,0,0|1,0,1]=4 6857 B10R1.21 CCCCSc1ncco1 62a_100011787736_100000210210 [0,1,0,1,0,0|1,0,1]=4 6858 B10R1.21 CCCNCC1OCCO1 2230a_100000036311_100000210303 [0,1,0,1,0,0|1,0,1]=4 6859 B10R1.21 CCCNCC1OCCO1 34a_100000036311_100000210303 [0,1,0,1,0,0|1,0,1]=4 6860 B10R1.21 CCCNC[C@@H]1CCCO1 2230a_100020590478_100000210303 [0,1,0,1,0,0|0,0,2]=4 6861 B10R1.21 CCCNC[C@@H]1CCCO1 34a_100020590478_100000210303 [0,1,0,1,0,0|0,0,2]=4 6862 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [0,1,0,1,0,0|0,0,2]=4 6863 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [0,1,0,1,0,0|0,0,2]=4 6864 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [0,1,0,1,0,0|0,0,2]=4 6865 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [0,1,0,1,0,0|0,0,2]=4 6866 B10R1.21 CCCNCc1ccoc1 207a_100020643023_100011215517 [0,1,0,1,0,0|1,0,1]=4 6867 B10R1.21 CCCNCc1ccoc1 2230a_100015206860_100000210303 [0,1,0,1,0,0|1,0,1]=4 6868 B10R1.21 CCCNCc1ccoc1 270004a_100020643023_100011215517 [0,1,0,1,0,0|1,0,1]=4 6869 B10R1.21 CCCNCc1ccoc1 34a_100015206860_100000210303 [0,1,0,1,0,0|1,0,1]=4 6870 B10R1.21 CCCNCc1cnco1 270004a_100020643023_100000064291 [0,1,0,1,0,0|1,0,1]=4 6871 B10R1.21 CCCNCc1ncco1 2230a_100016994969_100000210303 [0,1,0,1,0,0|1,0,1]=4 6872 B10R1.21 CCCNCc1ncco1 270004a_100020643023_100000064290 [0,1,0,1,0,0|1,0,1]=4 6873 B10R1.21 CCCOCC1CCCO1 34a_100000210270_100000210303 [0,1,0,1,0,0|0,0,2]=4 6874 B10R1.21 CCCOCC1CCCO1 7a_100000210270_100000210303 [0,1,0,1,0,0|0,0,2]=4 6875 B10R1.21 CCCOCC1COCO1 34a_100011216627_100000210303 [0,1,0,1,0,0|1,0,1]=4 6876 B10R1.21 CCCOCC1OCCO1 34a_100000087154_100000210303 [0,1,0,1,0,0|1,0,1]=4 6877 B10R1.21 CCCOCC1OCCO1 34a_100000210258_100000755774 [0,1,0,1,0,0|1,0,1]=4 6878 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [0,1,0,1,0,0|0,0,2]=4 6879 B10R1.21 CCCOCc1ccno1 34a_100000740478_100000210303 [0,1,0,1,0,0|1,0,1]=4 6880 B10R1.21 CCCOCc1ccoc1 34a_100011215357_100000210303 [0,1,0,1,0,0|1,0,1]=4 6881 B10R1.21 CCCOCc1ccon1 34a_100000210258_100000234950 [0,1,0,1,0,0|1,0,1]=4 6882 B10R1.21 CCCOCc1ncco1 34a_100000062594_100000210303 [0,1,0,1,0,0|1,0,1]=4 6883 B10R1.21 CCCOCc1ncco1 34a_100000210258_103436540062 [0,1,0,1,0,0|1,0,1]=4 6884 B10R1.21 CCCSCC1CCCO1 62a_100000203698_100000210303 [0,1,0,1,0,0|0,0,2]=4 6885 B10R1.21 CCCSCC1CCCO1 62a_100000210303_100000203698 [0,1,0,1,0,0|0,0,2]=4 6886 B10R1.21 CCCSCC1OCCO1 62a_100000210303_100000755774 [0,1,0,1,0,0|1,0,1]=4 6887 B10R1.21 CCCSCC1OCCO1 62a_100000755774_100000210303 [0,1,0,1,0,0|1,0,1]=4 6888 B10R1.21 CCCSCc1ccon1 62a_100000210303_100000234950 [0,1,0,1,0,0|1,0,1]=4 6889 B10R1.21 CCCSCc1ccon1 62a_100000234950_100000210303 [0,1,0,1,0,0|1,0,1]=4 6890 B10R1.21 CCCSCc1ncco1 62a_100000210303_103436540062 [0,1,0,1,0,0|1,0,1]=4 6891 B10R1.21 CCCSCc1ncco1 62a_103436540062_100000210303 [0,1,0,1,0,0|1,0,1]=4 6892 B10R1.21 CCNCCC1OCCO1 2230a_100000034215_100000210202 [0,1,0,1,0,0|1,0,1]=4 6893 B10R1.21 CCNCCC1OCCO1 2230a_100015525214_100000740749 [0,1,0,1,0,0|1,0,1]=4 6894 B10R1.21 CCNCCC1OCCO1 34a_100000034215_100000210202 [0,1,0,1,0,0|1,0,1]=4 6895 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [0,1,0,1,0,0|0,0,2]=4 6896 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [0,1,0,1,0,0|0,0,2]=4 6897 B10R1.21 CCNN=CC1CCCC1 4a_100000756455_100000746403 [0,1,0,1,0,0|2,0,0]=4 6898 B10R1.21 CCOCCC1OCCO1 34a_100121572206_100000740749 [0,1,0,1,0,0|1,0,1]=4 6899 B10R1.21 CCOCCc1cnoc1 34a_100000732699_100000210202 [0,1,0,1,0,0|2,0,0]=4 6900 B10R1.21 CCSCCC1OCCO1 62a_100000210202_100000740749 [0,1,0,1,0,0|1,0,1]=4 6901 B10R1.21 CNCCCC1OCCO1 2230a_106832991635_100000042513 [0,1,0,1,0,0|1,0,1]=4 6902 B10R1.21 CNCCCC1OCCO1 34a_100102657272_100009861162 [0,1,0,1,0,0|1,0,1]=4 6903 B10R1.21 CNCCCC1OCCO1 7a_106832991635_100000042513 [0,1,0,1,0,0|1,0,1]=4 6904 B10R1.21 COCCCC1CCCC1 34a_100011215328_200000210301 [0,1,0,1,0,0|0,0,2]=4 6905 B10R1.21 COCCCC1CCCC1 34a_100138415774_100011713738 [0,1,0,1,0,0|0,0,2]=4 6906 B10R1.21 COCCCC1CCCC1 7a_100011215328_200000210301 [0,1,0,1,0,0|0,0,2]=4 6907 B10R1.21 COCCCC1OCCO1 34a_100009871617_200000210301 [0,1,0,1,0,0|1,0,1]=4 6908 B10R1.21 COCCCC1OCCO1 34a_100138415774_100009861162 [0,1,0,1,0,0|1,0,1]=4 6909 B10R1.21 COCCCC1OCCO1 7a_100009871617_200000210301 [0,1,0,1,0,0|1,0,1]=4 6910 B10R1.21 COCCCc1cnoc1 34a_100011738005_200000210301 [0,1,0,1,0,0|2,0,0]=4 6911 B10R1.21 COCCNC1CCCC1 2230a_100000209980_100000179811 [0,1,0,1,0,0|1,0,1]=4 6912 B10R1.21 COCCNC1CCCC1 2230a_100000211070_100011201679 [0,1,0,1,0,0|1,0,1]=4 6913 B10R1.21 COCCNC1CCCC1 270004a_100000209980_100000210133 [0,1,0,1,0,0|1,0,1]=4 6914 B10R1.21 COCCNC1CCCC1 34a_100000211070_100011201679 [0,1,0,1,0,0|1,0,1]=4 6915 B10R1.21 COCCNC1CCCC1 34a_200000200444_200000210301 [0,1,0,1,0,0|1,0,1]=4 6916 B10R1.21 COCCOC1CCCC1 34a_100000210237_100000179811 [0,1,0,1,0,0|1,0,1]=4 6917 B10R1.21 COCCOC1CCCC1 34a_100000210269_100011201679 [0,1,0,1,0,0|1,0,1]=4 6918 B10R1.21 COCCOC1CCCC1 34a_100000738311_200000210301 [0,1,0,1,0,0|1,0,1]=4 6919 B10R1.21 COCCOC1CCCC1 7a_100000210269_100000233755 [0,1,0,1,0,0|1,0,1]=4 6920 B10R1.21 COCCOC1CCCC1 7a_100000738311_200000210301 [0,1,0,1,0,0|1,0,1]=4 6921 B10R1.21 COCCSC1CCCC1 62a_100000233755_100000179811 [0,1,0,1,0,0|1,0,1]=4 6922 B10R1.21 COCCSC1CCCC1 62a_100011217020_100000233755 [0,1,0,1,0,0|1,0,1]=4 6923 B10R1.21 COCNCC1CCCC1 2230a_100000737975_100000766300 [0,1,0,1,0,0|1,0,1]=4 6924 B10R1.21 COCSCC1CCCC1 62a_100000740388_100000766300 [0,1,0,1,0,0|1,0,1]=4 6925 B10R1.21 COCSCC1CCCC1 62a_100000766300_100000740388 [0,1,0,1,0,0|1,0,1]=4 6926 B10R1.21 CSCCCC1OCCO1 62a_200000210301_100000042513 [0,1,0,1,0,0|1,0,1]=4 6927 B10R1.21 NOCCOC1CCCC1 34a_100000700252_100000179811 [0,1,0,1,0,0|1,0,1]=4 6928 B10R1.21 OCC#CCN1CCCC1 2230a_100000188435_200000047223 [0,1,0,1,0,0|0,0,2]=4 6929 B10R1.21 OCCCCN1CCCC1 2230a_100000188435_100000210776 [0,1,0,1,0,0|0,0,2]=4 6930 B10R1.21 OCCCCN1CCCC1 269982a_100000188435_100000210776 [0,1,0,1,0,0|0,0,2]=4 6931 B10R1.21 OCCCNC1CCCC1 2230a_100000211070_100000230001 [0,1,0,1,0,0|0,0,2]=4 6932 B10R1.21 OCCCNC1CCCC1 270004a_100000182051_100000210133 [0,1,0,1,0,0|0,0,2]=4 6933 B10R1.21 OCCCNC1CCCC1 34a_100000211070_100000230001 [0,1,0,1,0,0|0,0,2]=4 6934 B10R1.21 OCCCOC1CCCC1 34a_100000210269_100000230001 [0,1,0,1,0,0|0,0,2]=4 6935 B10R1.21 OCCCOC1CCCC1 7a_100000210269_100011215043 [0,1,0,1,0,0|0,0,2]=4 6936 B10R1.21 OCCCSC1CCCC1 62a_100011215043_100000179811 [0,1,0,1,0,0|0,0,2]=4 6937 B10R1.21 OCCCSC1CCCC1 62a_100011217020_100011215043 [0,1,0,1,0,0|0,0,2]=4 6938 B10R1.21 OCCNCC1CCCC1 2230a_100000737975_100000211926 [0,1,0,1,0,0|0,0,2]=4 6939 B10R1.21 OCCNCC1CCCC1 2230a_100016997473_100000740388 [0,1,0,1,0,0|0,0,2]=4 6940 B10R1.21 OCCNCC1CCCC1 269862a_100000210304_100000746403 [0,1,0,1,0,0|0,0,2]=4 6941 B10R1.21 OCCNCC1CCCC1 34a_100000737975_100000211926 [0,1,0,1,0,0|0,0,2]=4 6942 B10R1.21 OCCNCC1CCCC1 34a_100016990907_100000740388 [0,1,0,1,0,0|0,0,2]=4 6943 B10R1.21 OCCNCC1CCCO1 2230a_100016997473_100000203698 [0,1,0,1,0,0|1,0,1]=4 6944 B10R1.21 OCCNCC1CCOC1 2230a_100000737293_100000211926 [0,1,0,1,0,0|1,0,1]=4 6945 B10R1.21 OCCNCC1CCOC1 2230a_100016997473_100000702531 [0,1,0,1,0,0|1,0,1]=4 6946 B10R1.21 OCCNCC1CCOC1 34a_100000737293_100000211926 [0,1,0,1,0,0|1,0,1]=4 6947 B10R1.21 OCCNCC1CCOC1 34a_100016990907_100011261433 [0,1,0,1,0,0|1,0,1]=4 6948 B10R1.21 OCCNC[C@@H]1CCCO1 2230a_100020590478_100000211926 [0,1,0,1,0,0|1,0,1]=4 6949 B10R1.21 OCCNC[C@@H]1CCCO1 34a_100020590478_100000211926 [0,1,0,1,0,0|1,0,1]=4 6950 B10R1.21 OCCOCC1CCCC1 34a_100000742336_100000211926 [0,1,0,1,0,0|0,0,2]=4 6951 B10R1.21 OCCOCC1CCCC1 7a_100000742336_100000211926 [0,1,0,1,0,0|0,0,2]=4 6952 B10R1.21 OCCOCC1CCCO1 34a_100000210270_100000211926 [0,1,0,1,0,0|1,0,1]=4 6953 B10R1.21 OCCOCC1CCCO1 7a_100000210270_100000211926 [0,1,0,1,0,0|1,0,1]=4 6954 B10R1.21 OCCOCC1CCNC1 34a_100000748654_100000211926 [0,1,0,1,0,0|1,0,1]=4 6955 B10R1.21 OCCOCC1CCOC1 34a_100000740260_100000211926 [0,1,0,1,0,0|1,0,1]=4 6956 B10R1.21 OCCOC[C@H]1CCCN1 34a_100000745186_100000211926 [0,1,0,1,0,0|1,0,1]=4 6957 B10R1.21 OCCSCC1CCCC1 62a_100000211926_100000740388 [0,1,0,1,0,0|0,0,2]=4 6958 B10R1.21 OCCSCC1CCCC1 62a_100000740388_100000211926 [0,1,0,1,0,0|0,0,2]=4 6959 B10R1.21 OCCSCC1CCCO1 62a_100000203698_100000211926 [0,1,0,1,0,0|1,0,1]=4 6960 B10R1.21 OCCSCC1CCCO1 62a_100000211926_100000203698 [0,1,0,1,0,0|1,0,1]=4 6961 B10R1.21 OCCSCC1CCOC1 62a_100000211926_100000702531 [0,1,0,1,0,0|1,0,1]=4 6962 B10R1.21 OCCSCC1CCOC1 62a_100000702531_100000211926 [0,1,0,1,0,0|1,0,1]=4 6963 B10R1.21 [13CH3]OCCCC1CCCC1 34a_100011215328_200025704644 [0,1,0,1,0,0|0,0,2]=4 6964 B10R1.21 [13CH3]OCCCC1CCCC1 7a_100011215328_200025704644 [0,1,0,1,0,0|0,0,2]=4 6965 B10R1.21 [13CH3]OCCCC1OCCO1 34a_100009871617_200025704644 [0,1,0,1,0,0|1,0,1]=4 6966 B10R1.21 [13CH3]OCCCC1OCCO1 7a_100009871617_200025704644 [0,1,0,1,0,0|1,0,1]=4 6967 B10R1.21 [13CH3]OCCCc1cnoc1 34a_100011738005_200025704644 [0,1,0,1,0,0|2,0,0]=4 6968 B10R1.21 [13CH3]OCCNC1CCCC1 34a_200000200444_200025704644 [0,1,0,1,0,0|1,0,1]=4 6969 B10R1.21 [13CH3]OCCOC1CCCC1 34a_100000738311_200025704644 [0,1,0,1,0,0|1,0,1]=4 6970 B10R1.21 [13CH3]OCCOC1CCCC1 7a_100000738311_200025704644 [0,1,0,1,0,0|1,0,1]=4 6971 B10R1.21 [13CH3]SCCCC1OCCO1 62a_200025704644_100000042513 [0,1,0,1,0,0|1,0,1]=4 6972 B10R1.29 CC1CCCC1NCCO 269862a_100000210304_100000752053 [0,1,0,1,0,0|0,0,2]=4 6973 B10R1.29 CC1CCCC1OCCO 34a_100011216460_100000211926 [0,1,0,1,0,0|0,0,2]=4 6974 B10R1.29 CC1CCCC1OCCO 7a_100011216460_100000211926 [0,1,0,1,0,0|0,0,2]=4 6975 B10R1.29 CC1OCCC1NCCO 270004a_100000210304_100000691750 [0,1,0,1,0,0|1,0,1]=4 6976 B10R1.29 CCCCC1C=CCN1C 2230a_100015184376_200000210301 [0,1,0,1,0,0|1,0,0]=3 6977 B10R1.29 CCCCC1C=CCN1C 269982a_100015184376_200000210301 [0,1,0,1,0,0|1,0,0]=3 6978 B10R1.29 CCCCC1C=CCN1C 34a_100015184376_200000210301 [0,1,0,1,0,0|1,0,0]=3 6979 B10R1.29 CCCCC1C=CCN1[13CH3] 2230a_100015184376_200025704644 [0,1,0,1,0,0|1,0,0]=3 6980 B10R1.29 CCCCC1C=CCN1[13CH3] 269982a_100015184376_200025704644 [0,1,0,1,0,0|1,0,0]=3 6981 B10R1.29 CCCCC1C=CCN1[13CH3] 34a_100015184376_200025704644 [0,1,0,1,0,0|1,0,0]=3 6982 B10R1.29 CCCCc1ccsc1O 271570a_203496583355_100010071534 [0,1,0,1,0,0|0,0,2]=4 6983 B10R1.29 CCCCn1nccc1O 271570a_203496583355_200010264484 [0,1,0,1,0,0|1,0,1]=4 6984 B10R1.29 CCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210303 [0,1,0,1,0,0|1,0,1]=4 6985 B10R1.29 CCCOC1COCC1O 34a_100000210258_200000725654 [0,1,0,1,0,0|1,0,1]=4 6986 B10R1.29 CCCSC1COCC1O 62a_100000210303_200000725654 [0,1,0,1,0,0|1,0,1]=4 6987 B10R1.29 CCCSC1COCC1O 62a_200000725654_100000210303 [0,1,0,1,0,0|1,0,1]=4 6988 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_100000210303_200016002552 [0,1,0,1,0,0|0,0,2]=4 6989 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210303 [0,1,0,1,0,0|0,0,2]=4 6990 B10R1.29 CCNN=C1CCCC1C 4a_100000756455_100000752053 [0,1,0,1,0,0|2,0,0]=4 6991 B10R1.29 COCCN1CCC[C@@H]1C 2230a_100020605311_100011201679 [0,1,0,1,0,0|1,0,1]=4 6992 B10R1.29 COCCN1CCC[C@@H]1C 269982a_100020605311_100000233755 [0,1,0,1,0,0|1,0,1]=4 6993 B10R1.29 COCCN1CCC[C@H]1C 2230a_100015189458_100011201679 [0,1,0,1,0,0|1,0,1]=4 6994 B10R1.29 COCCN1CCC[C@H]1C 269982a_100015189458_100000233755 [0,1,0,1,0,0|1,0,1]=4 6995 B10R1.29 COCCN1CCC[C@H]1C 34a_100015189458_100011201679 [0,1,0,1,0,0|1,0,1]=4 6996 B10R1.29 C[C@@H]1CCCN1CCCO 2230a_100015189458_100000230001 [0,1,0,1,0,0|0,0,2]=4 6997 B10R1.29 C[C@@H]1CCCN1CCCO 269982a_100015189458_100011215043 [0,1,0,1,0,0|0,0,2]=4 6998 B10R1.29 C[C@@H]1CCCN1CCCO 34a_100015189458_100000230001 [0,1,0,1,0,0|0,0,2]=4 6999 B10R1.29 C[C@@H]1CNC[C@@H]1OCCO 34a_200015306588_100000211926 [0,1,0,1,0,0|1,0,1]=4 7000 B10R1.29 C[C@H]1CCCN1CCCO 2230a_100020605311_100000230001 [0,1,0,1,0,0|0,0,2]=4 7001 B10R1.29 C[C@H]1CCCN1CCCO 269982a_100020605311_100011215043 [0,1,0,1,0,0|0,0,2]=4 7002 B10R1.29 N[C@H]1CCC[C@@H]1OCCO 34a_100000748460_100000211926 [0,1,0,1,0,0|1,0,1]=4 7003 B10R1.29 OCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000211926 [0,1,0,1,0,0|1,0,1]=4 7004 B10R1.29 OCCS[C@@H]1CCC[C@H]1O 62a_100000211926_200016002552 [0,1,0,1,0,0|1,0,1]=4 7005 B10R1.29 OCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000211926 [0,1,0,1,0,0|1,0,1]=4 7006 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [0,1,0,1,0,0|0,0,2]=4 7007 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [0,1,0,1,0,0|0,0,2]=4 7008 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [0,1,0,1,0,0|0,0,2]=4 7009 B10R1.85 COCN1CCCCCC1 2230a_100000185865_100000766300 [0,1,0,1,0,0|1,0,1]=4 7010 B10R1.85 COCN1CCCCCC1 269982a_100000185865_100000766300 [0,1,0,1,0,0|1,0,1]=4 7011 B10R1.85 OCCN1CCCCCC1 2230a_100000185865_100000211926 [0,1,0,1,0,0|0,0,2]=4 7012 B10R1.85 OCCN1CCCCCC1 269982a_100000185865_100000211926 [0,1,0,1,0,0|0,0,2]=4 7013 B10R1.85 OCCN1CCCCCC1 34a_100000185865_100000211926 [0,1,0,1,0,0|0,0,2]=4 7014 B10R1.85 OCCN1CCCOCC1 2230a_100000685342_100000211926 [0,1,0,1,0,0|1,0,1]=4 7015 B10R1.85 OCCN1CCCOCC1 269982a_100000685342_100000211926 [0,1,0,1,0,0|1,0,1]=4 7016 B10R1.85 OCCN1CCCOCC1 34a_100000685342_100000211926 [0,1,0,1,0,0|1,0,1]=4 7017 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [0,1,0,1,0,0|0,0,2]=4 7018 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [0,1,0,1,0,0|0,0,2]=4 7019 B10R1.135 CCC1CC1C(=O)CCF 1458a_200011661523_100011217306 [0,1,0,1,0,0|1,0,1]=4 7020 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [0,1,0,1,0,0|0,0,1]=3 7021 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [0,1,0,1,0,0|1,0,1]=4 7022 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [0,1,0,1,0,0|2,0,0]=4 7023 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [0,1,0,1,0,0|2,0,0]=4 7024 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [0,1,0,1,0,0|2,0,0]=4 7025 B10R1.137 CC=CC(=O)CC1CCC1 1458a_100000210699_100000763275 [0,1,0,1,0,0|1,0,1]=4 7026 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [0,1,0,1,0,0|1,0,1]=4 7027 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [0,1,0,1,0,0|1,0,1]=4 7028 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [0,1,0,1,0,0|2,0,0]=4 7029 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [0,1,0,1,0,0|2,0,0]=4 7030 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [0,1,0,1,0,0|2,0,0]=4 7031 B10R1.137 CN(CCO)CC1CCC1 2230a_100000210263_100000763275 [0,1,0,1,0,0|1,0,1]=4 7032 B10R1.137 CN(CCO)CC1CCC1 2230a_200000750244_100000211926 [0,1,0,1,0,0|1,0,1]=4 7033 B10R1.137 CN(CCO)CC1CCC1 269982a_100000210263_100000763275 [0,1,0,1,0,0|1,0,1]=4 7034 B10R1.137 CN(CCO)CC1CCC1 269982a_200000750244_100000211926 [0,1,0,1,0,0|1,0,1]=4 7035 B10R1.137 CN(CCO)CC1CCC1 34a_200000750244_100000211926 [0,1,0,1,0,0|1,0,1]=4 7036 B10R1.137 O=C(C=CBr)CC1CCC1 1458a_100016273825_100000763275 [0,1,0,1,0,0|1,0,1]=4 7037 B10R1.137 O=C(C=CCl)CC1CCC1 1458a_200016279998_100000763275 [0,1,0,1,0,0|1,0,1]=4 7038 B10R1.137 O=C(C=CI)CC1CCC1 1458a_100016256311_100000763275 [0,1,0,1,0,0|1,0,1]=4 7039 B10R1.137 O=C(CCF)CC1CCC1 1458a_100000763092_100011217306 [0,1,0,1,0,0|1,0,1]=4 7040 B10R1.137 O=C(CCO)CC1CCC1 1458a_100000763092_100000211926 [0,1,0,1,0,0|0,0,1]=3 7041 B10R1.137 O=C(CCO)CC1CCC1 1458a_100011216618_100000763275 [0,1,0,1,0,0|0,0,1]=3 7042 B10R1.137 O=C(CCO)CC1CCO1 1458a_100011216618_100000103362 [0,1,0,1,0,0|1,0,1]=4 7043 B10R1.137 O=C(CCO)CC1COC1 1458a_100000687760_100000211926 [0,1,0,1,0,0|1,0,1]=4 7044 B10R1.137 O=C(CCO)CC1COC1 1458a_100011216618_100010264016 [0,1,0,1,0,0|1,0,1]=4 7045 B10R1.137 O=C(CCO)NC1CCC1 240690a_100000749019_100011216618 [0,1,0,1,0,0|1,0,1]=4 7046 B10R1.137 O=C(CN1CCC1)NCO 269982a_100000754969_100000185155 [0,1,0,1,0,0|2,0,0]=4 7047 B10R1.138 CC=CC(=O)CCC1CC1 1458a_100000210699_100000694398 [0,1,0,1,0,0|1,0,1]=4 7048 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [0,1,0,1,0,0|1,0,1]=4 7049 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [0,1,0,1,0,0|1,0,1]=4 7050 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [0,1,0,1,0,0|2,0,0]=4 7051 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [0,1,0,1,0,0|2,0,0]=4 7052 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [0,1,0,1,0,0|2,0,0]=4 7053 B10R1.138 CN(CCO)CCC1CC1 2230a_100000210263_100000694398 [0,1,0,1,0,0|1,0,1]=4 7054 B10R1.138 CN(CCO)CCC1CC1 269982a_100000210263_100000694398 [0,1,0,1,0,0|1,0,1]=4 7055 B10R1.138 O=C(C=CBr)CCC1CC1 1458a_100016273825_100000694398 [0,1,0,1,0,0|1,0,1]=4 7056 B10R1.138 O=C(C=CCl)CCC1CC1 1458a_200016279998_100000694398 [0,1,0,1,0,0|1,0,1]=4 7057 B10R1.138 O=C(C=CI)CCC1CC1 1458a_100016256311_100000694398 [0,1,0,1,0,0|1,0,1]=4 7058 B10R1.138 O=C(CCF)CCC1CC1 1458a_100000756386_100011217306 [0,1,0,1,0,0|1,0,1]=4 7059 B10R1.138 O=C(CCO)CCC1CC1 1458a_100000756386_100000211926 [0,1,0,1,0,0|0,0,1]=3 7060 B10R1.138 O=C(CCO)CCC1CC1 1458a_100011216618_100000694398 [0,1,0,1,0,0|0,0,1]=3 7061 B10R1.138 O=C(CCO)CCC1CO1 1458a_100011216618_100000732470 [0,1,0,1,0,0|1,0,1]=4 7062 B10R1.138 O=C(CCO)NCC1CC1 240690a_100000735609_100011216618 [0,1,0,1,0,0|1,0,1]=4 7063 B10R1.138 O=C(CNC1CC1)NCO 34a_100000212008_100000185155 [0,1,0,1,0,0|2,0,0]=4 7064 B10R1.138 O=C(CSC1CC1)NCO 62a_100000185155_100000211595 [0,1,0,1,0,0|2,0,0]=4 7065 B10R1.139 CC1CCN1C(=O)CCO 240690a_100000755817_100011216618 [0,1,0,1,0,0|1,0,1]=4 7066 B10R1.186 CC/C=C\CC(=O)C1CC1 1458a_100000210395_100103147603 [0,1,0,1,0,0|1,0,1]=4 7067 B10R1.186 CC/C=C\CN(C)C1CC1 2230a_100000226674_100103147603 [0,1,0,1,0,0|2,0,0]=4 7068 B10R1.186 CC/C=C\CN(C)C1CC1 269982a_100000226674_100103147603 [0,1,0,1,0,0|2,0,0]=4 7069 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [0,1,0,1,0,0|1,0,1]=4 7070 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [0,1,0,1,0,0|0,0,1]=3 7071 B10R1.186 CCCCNC(=O)C1CO1 11a_100000102301_100000701028 [0,1,0,1,0,0|1,0,1]=4 7072 B10R1.186 CCCCNC(=O)C1CO1 1626a_100000102301_100000701028 [0,1,0,1,0,0|1,0,1]=4 7073 B10R1.186 CCCCNC(=O)C1CO1 240690a_100000102301_100000701028 [0,1,0,1,0,0|1,0,1]=4 7074 B10R1.186 CCCCNC(=O)C1CO1 527a_100000102301_100000701028 [0,1,0,1,0,0|1,0,1]=4 7075 B10R1.186 CCOCCC(=O)C1CO1 1458a_100000701028_100011215890 [0,1,0,1,0,0|1,0,1]=4 7076 B10R1.186 CCSCCC(=O)C1CO1 1458a_100000701028_100000757381 [0,1,0,1,0,0|1,0,1]=4 7077 B10R1.186 COCCCC(=O)C1CO1 1458a_100000701028_100000740836 [0,1,0,1,0,0|1,0,1]=4 7078 B10R1.186 N[C@@H](COCCO)C1CC1 34a_100020623730_100000211926 [0,1,0,1,0,0|1,0,1]=4 7079 B10R1.186 O=C(CCCCF)C1CO1 1458a_100000701028_100000729493 [0,1,0,1,0,0|1,0,1]=4 7080 B10R1.186 O=C(CCCCO)C1CO1 1458a_100000701028_100000210776 [0,1,0,1,0,0|1,0,1]=4 7081 B10R1.186 OCCNCC(O)C1CC1 2230a_100000751198_100000211926 [0,1,0,1,0,0|1,0,1]=4 7082 B10R1.186 OCCNCC(O)C1CC1 34a_100000751198_100000211926 [0,1,0,1,0,0|1,0,1]=4 7083 B10R1.376 CC1(CCC1)CNCCO 2230a_100000706607_100000211926 [0,1,0,1,0,0|1,0,1]=4 7084 B10R1.376 CC1(CCC1)CNCCO 2230a_100016997473_100000726658 [0,1,0,1,0,0|1,0,1]=4 7085 B10R1.376 CC1(CCC1)CNCCO 34a_100016990907_100000726658 [0,1,0,1,0,0|1,0,1]=4 7086 B10R1.376 CC1(CCC1)CSCCO 62a_100000211926_100000726658 [0,1,0,1,0,0|1,0,1]=4 7087 B10R1.376 CC1(CCC1)CSCCO 62a_100000726658_100000211926 [0,1,0,1,0,0|1,0,1]=4 7088 B10R1.376 OCCNCC1(CCC1)O 2230a_100000752638_100000211926 [0,1,0,1,0,0|1,0,1]=4 7089 B10R1.377 CC1(CC=CCC1)CO[13CH3] 34a_200000074738_200025704644 [0,1,0,1,0,0|2,0,0]=4 7090 B10R1.377 COCC1(CC=CCC1)C 34a_200000074738_200000210301 [0,1,0,1,0,0|2,0,0]=4 7091 B10R1.4 CC1CC=CCC1CO[13CH3] 34a_100000211322_200025704644 [0,1,0,1,0,0|2,0,0]=4 7092 B10R1.4 CC1CCCCN1CCO 2230a_100000211376_100000211926 [0,1,0,1,0,0|0,0,2]=4 7093 B10R1.4 CC1CCCCN1CCO 269982a_100000211376_100000211926 [0,1,0,1,0,0|0,0,2]=4 7094 B10R1.4 CC1CCCCN1CCO 34a_100000211376_100000211926 [0,1,0,1,0,0|0,0,2]=4 7095 B10R1.4 CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210202 [0,1,0,1,0,0|1,0,1]=4 7096 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [0,1,0,1,0,0|0,0,2]=4 7097 B10R1.4 CCSC1CCCCC1O 62a_100000038908_100000210202 [0,1,0,1,0,0|0,0,2]=4 7098 B10R1.4 CCSC1CCCCC1O 62a_100000210202_100000038908 [0,1,0,1,0,0|0,0,2]=4 7099 B10R1.4 CN1CCCCC1CCO 2230a_100000211664_200000210301 [0,1,0,1,0,0|0,0,2]=4 7100 B10R1.4 CN1CCCCC1CCO 269982a_100000211664_200000210301 [0,1,0,1,0,0|0,0,2]=4 7101 B10R1.4 CN1CCCCC1CCO 34a_100000211664_200000210301 [0,1,0,1,0,0|0,0,2]=4 7102 B10R1.4 CNCC1CC=CCC1C 269862a_106832991636_100000117039 [0,1,0,1,0,0|2,0,0]=4 7103 B10R1.4 CNCC1CC=CCC1C 270004a_106832991635_100000117039 [0,1,0,1,0,0|2,0,0]=4 7104 B10R1.4 CNCC1CCCCC1O 34a_100011216029_200000210301 [0,1,0,1,0,0|0,0,2]=4 7105 B10R1.4 COCC1CC=CCC1C 34a_100000211322_200000210301 [0,1,0,1,0,0|2,0,0]=4 7106 B10R1.4 COCN1CCCCC1C 2230a_100000211376_100000766300 [0,1,0,1,0,0|1,0,1]=4 7107 B10R1.4 COCN1CCCCC1C 269982a_100000211376_100000766300 [0,1,0,1,0,0|1,0,1]=4 7108 B10R1.4 C[C@H]1COCCN1CCO 2230a_100009815349_100000211926 [0,1,0,1,0,0|1,0,1]=4 7109 B10R1.4 C[C@H]1COCCN1CCO 269982a_100009815349_100000211926 [0,1,0,1,0,0|1,0,1]=4 7110 B10R1.4 C[C@H]1COCCN1CCO 34a_100009815349_100000211926 [0,1,0,1,0,0|1,0,1]=4 7111 B10R1.4 [13CH3]N1CCCCC1CCO 2230a_100000211664_200025704644 [0,1,0,1,0,0|0,0,2]=4 7112 B10R1.4 [13CH3]N1CCCCC1CCO 269982a_100000211664_200025704644 [0,1,0,1,0,0|0,0,2]=4 7113 B10R1.4 [13CH3]N1CCCCC1CCO 34a_100000211664_200025704644 [0,1,0,1,0,0|0,0,2]=4 7114 B10R1.4 [13CH3]NCC1CCCCC1O 34a_100011216029_200025704644 [0,1,0,1,0,0|0,0,2]=4 7115 B10R1.17 CCCCN1CC=CCC1 2230a_100000698166_100000210211 [0,1,0,1,0,0|1,0,0]=3 7116 B10R1.17 CCCCN1CC=CCC1 269982a_100000698166_100000210211 [0,1,0,1,0,0|1,0,0]=3 7117 B10R1.17 CCCCN1CC=CCC1 34a_100000698166_100000210210 [0,1,0,1,0,0|1,0,0]=3 7118 B10R1.17 CCCOC1C=CCCC1 34a_100011215024_100000210303 [0,1,0,1,0,0|2,0,0]=4 7119 B10R1.17 CCCOC1CC=CCC1 34a_100000073881_100000210303 [0,1,0,1,0,0|1,0,0]=3 7120 B10R1.17 CCCOC1CCCCO1 34a_100000033831_100000210303 [0,1,0,1,0,0|0,0,2]=4 7121 B10R1.17 CCCSC1C=CCCC1 62a_100000210303_100000751183 [0,1,0,1,0,0|2,0,0]=4 7122 B10R1.17 CCCSC1C=CCCC1 62a_100000751183_100000210303 [0,1,0,1,0,0|2,0,0]=4 7123 B10R1.17 CCNCC1CC=CCC1 270004a_100015525214_100000189434 [0,1,0,1,0,0|1,0,0]=3 7124 B10R1.17 CCNCC1CCCCO1 2230a_100000174945_100000210202 [0,1,0,1,0,0|0,0,2]=4 7125 B10R1.17 CCNCC1CCCCO1 2230a_100015525214_100000211543 [0,1,0,1,0,0|0,0,2]=4 7126 B10R1.17 CCNCC1CCCCO1 34a_100000174945_100000210202 [0,1,0,1,0,0|0,0,2]=4 7127 B10R1.17 CCNC[C@H]1COCCO1 2230a_100010981119_100000210202 [0,1,0,1,0,0|1,0,1]=4 7128 B10R1.17 CCNC[C@H]1COCCO1 34a_100010981119_100000210202 [0,1,0,1,0,0|1,0,1]=4 7129 B10R1.17 CCNN=C1CCCCC1 4a_100000756455_100000210434 [0,1,0,1,0,0|2,0,0]=4 7130 B10R1.17 CCOCC1CC=CCC1 34a_100000210713_100000210202 [0,1,0,1,0,0|1,0,0]=3 7131 B10R1.17 CCOCC1CCC=CO1 34a_100011217868_100000210202 [0,1,0,1,0,0|0,0,2]=4 7132 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [0,1,0,1,0,0|0,0,2]=4 7133 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [0,1,0,1,0,0|0,0,2]=4 7134 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [0,1,0,1,0,0|0,0,2]=4 7135 B10R1.17 CCOCN1CC=CCC1 269982a_100000698166_100000739092 [0,1,0,1,0,0|2,0,0]=4 7136 B10R1.17 CCOC[C@@H]1CNCCO1 34a_100015189573_100000210202 [0,1,0,1,0,0|1,0,1]=4 7137 B10R1.17 CCOC[C@H]1COCCO1 34a_100009875890_100000210202 [0,1,0,1,0,0|1,0,1]=4 7138 B10R1.17 CCSCC1CCCCO1 62a_100000210202_100000211543 [0,1,0,1,0,0|0,0,2]=4 7139 B10R1.17 CCSCC1CCCCO1 62a_100000211543_100000210202 [0,1,0,1,0,0|0,0,2]=4 7140 B10R1.17 CNCCC1CCCCO1 2230a_100015183643_200000210301 [0,1,0,1,0,0|0,0,2]=4 7141 B10R1.17 CNCCC1CCCCO1 34a_100015183643_200000210301 [0,1,0,1,0,0|0,0,2]=4 7142 B10R1.17 COCCC1CCCCC1 34a_100011217863_200000210301 [0,1,0,1,0,0|0,0,2]=4 7143 B10R1.17 COCCC1CCCCC1 34a_100138415774_100011209188 [0,1,0,1,0,0|0,0,2]=4 7144 B10R1.17 COCCC1CCCCC1 7a_100011217863_200000210301 [0,1,0,1,0,0|0,0,2]=4 7145 B10R1.17 COCCN1CC=CCC1 2230a_100000698166_100011201679 [0,1,0,1,0,0|2,0,0]=4 7146 B10R1.17 COCCN1CC=CCC1 269982a_100000698166_100000233755 [0,1,0,1,0,0|2,0,0]=4 7147 B10R1.17 COCCN1CC=CCC1 34a_100000698166_100011201679 [0,1,0,1,0,0|2,0,0]=4 7148 B10R1.17 COCCN1CCCCC1 34a_100138415774_100000739454 [0,1,0,1,0,0|1,0,1]=4 7149 B10R1.17 COCNC1CCCCC1 2230a_100000182618_100000766300 [0,1,0,1,0,0|1,0,1]=4 7150 B10R1.17 COCOC1CCCCC1 34a_100138415774_100011935260 [0,1,0,1,0,0|1,0,1]=4 7151 B10R1.17 COCSC1CCCCC1 62a_100000210327_100000766300 [0,1,0,1,0,0|1,0,1]=4 7152 B10R1.17 COCSC1CCCCC1 62a_100000766300_100000210327 [0,1,0,1,0,0|1,0,1]=4 7153 B10R1.17 CSCCN1CC=CCC1 2230a_100000698166_100000751147 [0,1,0,1,0,0|2,0,0]=4 7154 B10R1.17 CSCCN1CC=CCC1 269982a_100000698166_100000212216 [0,1,0,1,0,0|2,0,0]=4 7155 B10R1.17 CSCCN1CC=CCC1 34a_100000698166_100000212216 [0,1,0,1,0,0|2,0,0]=4 7156 B10R1.17 CSCOC1CC=CCC1 34a_100000073881_100011218213 [0,1,0,1,0,0|2,0,0]=4 7157 B10R1.17 FCCCN1CC=CCC1 2230a_100000698166_100011934791 [0,1,0,1,0,0|2,0,0]=4 7158 B10R1.17 FCCCN1CC=CCC1 269982a_100000698166_100011934791 [0,1,0,1,0,0|2,0,0]=4 7159 B10R1.17 FCCCN1CC=CCC1 34a_100000698166_100011934791 [0,1,0,1,0,0|2,0,0]=4 7160 B10R1.17 FCCOC1CC=CCC1 34a_100000073881_100011217306 [0,1,0,1,0,0|2,0,0]=4 7161 B10R1.17 FCOCC1CC=CCC1 34a_100000210713_100015361967 [0,1,0,1,0,0|2,0,0]=4 7162 B10R1.17 OCCCN1CC=CCC1 2230a_100000698166_100000230001 [0,1,0,1,0,0|2,0,0]=4 7163 B10R1.17 OCCCN1CC=CCC1 269982a_100000698166_100011215043 [0,1,0,1,0,0|2,0,0]=4 7164 B10R1.17 OCCCN1CC=CCC1 34a_100000698166_100000230001 [0,1,0,1,0,0|2,0,0]=4 7165 B10R1.17 OCCNC1CCCCC1 2230a_100000182618_100000211926 [0,1,0,1,0,0|0,0,2]=4 7166 B10R1.17 OCCNC1CCCCC1 270004a_100000210304_100000210434 [0,1,0,1,0,0|0,0,2]=4 7167 B10R1.17 OCCNC1CCCCC1 34a_100000182618_100000211926 [0,1,0,1,0,0|0,0,2]=4 7168 B10R1.17 OCCNC1CCCCC1 34a_100016990907_100000210327 [0,1,0,1,0,0|0,0,2]=4 7169 B10R1.17 OCCNC1CCCOC1 2230a_100000719290_100000211926 [0,1,0,1,0,0|1,0,1]=4 7170 B10R1.17 OCCNC1CCCOC1 270004a_100000210304_100000753404 [0,1,0,1,0,0|1,0,1]=4 7171 B10R1.17 OCCNC1CCCOC1 34a_100000719290_100000211926 [0,1,0,1,0,0|1,0,1]=4 7172 B10R1.17 OCCNC1CCCOC1 34a_100016990907_100000693364 [0,1,0,1,0,0|1,0,1]=4 7173 B10R1.17 OCCNC1CCCSC1 270004a_100000210304_100000057913 [0,1,0,1,0,0|1,0,1]=4 7174 B10R1.17 OCCNC1CCNCC1 270004a_100000210304_100015192401 [0,1,0,1,0,0|1,0,1]=4 7175 B10R1.17 OCCNC1CCOCC1 2230a_100000741149_100000211926 [0,1,0,1,0,0|1,0,1]=4 7176 B10R1.17 OCCNC1CCOCC1 270004a_100000210304_100011217826 [0,1,0,1,0,0|1,0,1]=4 7177 B10R1.17 OCCNC1CCOCC1 34a_100000741149_100000211926 [0,1,0,1,0,0|1,0,1]=4 7178 B10R1.17 OCCNC1CCSCC1 2230a_100000748639_100000211926 [0,1,0,1,0,0|1,0,1]=4 7179 B10R1.17 OCCNC1CCSCC1 270004a_100000210304_100000203788 [0,1,0,1,0,0|1,0,1]=4 7180 B10R1.17 OCCNC1CCSCC1 34a_100000748639_100000211926 [0,1,0,1,0,0|1,0,1]=4 7181 B10R1.17 OCCNC1CCSCC1 34a_100016990907_100000069128 [0,1,0,1,0,0|1,0,1]=4 7182 B10R1.17 OCCOC1CC=CCC1 34a_100000073881_100000211926 [0,1,0,1,0,0|2,0,0]=4 7183 B10R1.17 OCCOC1CCCCC1 34a_100000210231_100000211926 [0,1,0,1,0,0|0,0,2]=4 7184 B10R1.17 OCCOC1CCCCC1 7a_100000210231_100000211926 [0,1,0,1,0,0|0,0,2]=4 7185 B10R1.17 OCCOC1CCCCO1 34a_100000033831_100000211926 [0,1,0,1,0,0|1,0,1]=4 7186 B10R1.17 OCCOC1CCCOC1 34a_100000754041_100000211926 [0,1,0,1,0,0|1,0,1]=4 7187 B10R1.17 OCCOC1CCCSC1 7a_100015962668_100000211926 [0,1,0,1,0,0|1,0,1]=4 7188 B10R1.17 OCCOC1CCOCC1 34a_100000744328_100000211926 [0,1,0,1,0,0|1,0,1]=4 7189 B10R1.17 OCCOC1CCSCC1 34a_100000731022_100000211926 [0,1,0,1,0,0|1,0,1]=4 7190 B10R1.17 OCCOC1CCSCC1 7a_100000731022_100000211926 [0,1,0,1,0,0|1,0,1]=4 7191 B10R1.17 OCCSC1CCCCC1 62a_100000210327_100000211926 [0,1,0,1,0,0|0,0,2]=4 7192 B10R1.17 OCCSC1CCCCC1 62a_100000211926_100000210327 [0,1,0,1,0,0|0,0,2]=4 7193 B10R1.17 OCCSC1CCCOC1 62a_100000211926_100000693364 [0,1,0,1,0,0|1,0,1]=4 7194 B10R1.17 OCCSC1CCOCC1 62a_100000211926_100011324220 [0,1,0,1,0,0|1,0,1]=4 7195 B10R1.17 OCCSC1CCSCC1 62a_100000211926_100000069128 [0,1,0,1,0,0|1,0,1]=4 7196 B10R1.17 [13CH3]NCCC1CCCCO1 2230a_100015183643_200025704644 [0,1,0,1,0,0|0,0,2]=4 7197 B10R1.17 [13CH3]NCCC1CCCCO1 34a_100015183643_200025704644 [0,1,0,1,0,0|0,0,2]=4 7198 B10R1.17 [13CH3]OCCC1CCCCC1 34a_100011217863_200025704644 [0,1,0,1,0,0|0,0,2]=4 7199 B10R1.17 [13CH3]OCCC1CCCCC1 7a_100011217863_200025704644 [0,1,0,1,0,0|0,0,2]=4 7200 B10R1.178 CC(NCCO)C1CCC1 2230a_100016994624_100000211926 [0,1,0,1,0,0|1,0,1]=4 7201 B10R1.178 CC(NCCO)C1CCC1 269862a_100000210304_100000760154 [0,1,0,1,0,0|1,0,1]=4 7202 B10R1.178 CC(NCCO)C1CCC1 34a_100016994624_100000211926 [0,1,0,1,0,0|1,0,1]=4 7203 B10R1.178 CC(OCCO)C1CCC1 34a_100000766398_100000211926 [0,1,0,1,0,0|1,0,1]=4 7204 B10R1.178 CC(OCCO)C1CCC1 7a_100000766398_100000211926 [0,1,0,1,0,0|1,0,1]=4 7205 B10R1.178 CCC=CC(=O)C1CCC1 1458a_100000212282_100000749161 [0,1,0,1,0,0|1,0,1]=4 7206 B10R1.180 CC(CC1CC1)NCCO 270004a_100000210304_200000686933 [0,1,0,1,0,0|1,0,1]=4 7207 B10R1.180 CCC=CC(=O)CC1CC1 1458a_100000212282_100000742324 [0,1,0,1,0,0|1,0,1]=4 7208 B10R1.187 CC1CCC(N1CCO)C 2230a_100000687148_100000211926 [0,1,0,1,0,0|1,0,1]=4 7209 B10R1.187 CC1CCC(N1CCO)C 269982a_100000687148_100000211926 [0,1,0,1,0,0|1,0,1]=4 7210 B10R1.187 CC1CCC(N1CCO)C 34a_100000687148_100000211926 [0,1,0,1,0,0|1,0,1]=4 7211 B10R1.216 CC1(CCCC1)OCCO 34a_100000751722_100000211926 [0,1,0,1,0,0|1,0,1]=4 7212 B10R1.216 CC1(CCCC1)OCCO 7a_100000751722_100000211926 [0,1,0,1,0,0|1,0,1]=4 7213 B10R1.5 CCC1CCCN1CCO 2230a_100000754278_100000211926 [0,1,0,1,0,0|0,0,2]=4 7214 B10R1.5 CCC1CCCN1CCO 269982a_100000754278_100000211926 [0,1,0,1,0,0|0,0,2]=4 7215 B10R1.5 CCC1CCCN1CCO 34a_100000754278_100000211926 [0,1,0,1,0,0|0,0,2]=4 7216 B10R1.5 CCC1CCCN1COC 2230a_100000754278_100000766300 [0,1,0,1,0,0|1,0,1]=4 7217 B10R1.5 CCC1CCCN1COC 269982a_100000754278_100000766300 [0,1,0,1,0,0|1,0,1]=4 7218 B10R1.5 CCCN1CC=CC1CC 2230a_100000730860_100000210303 [0,1,0,1,0,0|2,0,0]=4 7219 B10R1.5 CCCN1CC=CC1CC 269982a_100000730860_100000210303 [0,1,0,1,0,0|2,0,0]=4 7220 B10R1.5 CCCN1CC=CC1CC 34a_100000730860_100000210303 [0,1,0,1,0,0|2,0,0]=4 7221 B10R1.5 CCCN1CCC[C@@H]1CO 2230a_100000745186_100000210303 [0,1,0,1,0,0|0,0,2]=4 7222 B10R1.5 CCCN1CCC[C@@H]1CO 269982a_100000745186_100000210303 [0,1,0,1,0,0|0,0,2]=4 7223 B10R1.5 CCCN1CCC[C@@H]1CO 34a_100000745186_100000210303 [0,1,0,1,0,0|0,0,2]=4 7224 B10R1.5 OCCN1CCC[C@@H]1CO 2230a_100000745186_100000211926 [0,1,0,1,0,0|1,0,1]=4 7225 B10R1.5 OCCN1CCC[C@@H]1CO 269982a_100000745186_100000211926 [0,1,0,1,0,0|1,0,1]=4 7226 B10R1.5 OCCN1CCC[C@@H]1CO 34a_100000745186_100000211926 [0,1,0,1,0,0|1,0,1]=4 7227 B10R1.20 CCC1CCCCC1OC 34a_100000210738_200000210301 [0,1,0,1,0,0|0,0,2]=4 7228 B10R1.20 CCC1CCCCC1OC 7a_100000210738_200000210301 [0,1,0,1,0,0|0,0,2]=4 7229 B10R1.20 CCC1CCCCC1O[13CH3] 34a_100000210738_200025704644 [0,1,0,1,0,0|0,0,2]=4 7230 B10R1.20 CCC1CCCCC1O[13CH3] 7a_100000210738_200025704644 [0,1,0,1,0,0|0,0,2]=4 7231 B10R1.20 CCN1CCCCC1CO 2230a_100000210821_100000210202 [0,1,0,1,0,0|0,0,2]=4 7232 B10R1.20 CCN1CCCCC1CO 269982a_100000210821_100000204670 [0,1,0,1,0,0|0,0,2]=4 7233 B10R1.20 CCN1CCCCC1CO 34a_100000210821_100000210202 [0,1,0,1,0,0|0,0,2]=4 7234 B10R1.20 CNC1CCCCC1CO 270004a_106832991635_100009861125 [0,1,0,1,0,0|0,0,2]=4 7235 B10R1.37 CC/C=C\CN1CCC1C 269982a_100000755817_100103147603 [0,1,0,1,0,0|1,0,0]=3 7236 B10R1.37 CC/C=C\CN1CCC1C 34a_100000755817_100103147603 [0,1,0,1,0,0|1,0,0]=3 7237 B10R1.37 CC1CCN1CC#CCO 34a_100000755817_200000047223 [0,1,0,1,0,0|0,0,2]=4 7238 B10R1.37 CC1CCN1CCCCO 269982a_100000755817_100000210776 [0,1,0,1,0,0|0,0,2]=4 7239 B10R1.37 CC1CCN1CCCCO 34a_100000755817_100011216708 [0,1,0,1,0,0|0,0,2]=4 7240 B10R1.57 CC/C=C\CCN1CCC1 269982a_100000754969_100015370543 [0,1,0,1,0,0|1,0,0]=3 7241 B10R1.57 CC/C=C\CNC1CCC1 2230a_100000749019_100103147603 [0,1,0,1,0,0|1,0,0]=3 7242 B10R1.57 CC/C=C\CNC1CCC1 34a_100000749019_100103147603 [0,1,0,1,0,0|1,0,0]=3 7243 B10R1.57 CC/C=C\CNC1COC1 2230a_100016991112_100103147603 [0,1,0,1,0,0|2,0,0]=4 7244 B10R1.57 CC/C=C\COC1CCC1 34a_100000748187_100103147603 [0,1,0,1,0,0|1,0,0]=3 7245 B10R1.57 CC/C=C\COC1CCC1 34a_100016268518_100000749161 [0,1,0,1,0,0|1,0,0]=3 7246 B10R1.57 CC/C=C\COC1COC1 34a_100016268518_100009818527 [0,1,0,1,0,0|2,0,0]=4 7247 B10R1.57 CC/C=C\COC1CSC1 7a_100000072292_100103147603 [0,1,0,1,0,0|2,0,0]=4 7248 B10R1.57 CC/C=C\CSC1CCC1 62a_100103147603_100000749161 [0,1,0,1,0,0|1,0,0]=3 7249 B10R1.57 CC/C=C\CSC1COC1 62a_100103147603_100009818527 [0,1,0,1,0,0|2,0,0]=4 7250 B10R1.57 CCC=NNCC1CCC1 4a_200020586977_100000210100 [0,1,0,1,0,0|2,0,0]=4 7251 B10R1.57 CCCCCNC1COC1 2230a_100016991112_100000210326 [0,1,0,1,0,0|1,0,1]=4 7252 B10R1.57 CCCCCOC1COC1 34a_100000210253_100009818527 [0,1,0,1,0,0|1,0,1]=4 7253 B10R1.57 CCCCCOC1COC1 7a_100000210253_100009818527 [0,1,0,1,0,0|1,0,1]=4 7254 B10R1.57 CCCCCSC1COC1 62a_100000210326_100009818527 [0,1,0,1,0,0|1,0,1]=4 7255 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [0,1,0,1,0,0|0,0,2]=4 7256 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [0,1,0,1,0,0|0,0,2]=4 7257 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [0,1,0,1,0,0|0,0,2]=4 7258 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [0,1,0,1,0,0|0,0,2]=4 7259 B10R1.57 CCCCNN=C1COC1 4a_100025702795_100000058695 [0,1,0,1,0,0|2,0,0]=4 7260 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [0,1,0,1,0,0|0,0,2]=4 7261 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [0,1,0,1,0,0|0,0,2]=4 7262 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [0,1,0,1,0,0|0,0,2]=4 7263 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [0,1,0,1,0,0|0,0,2]=4 7264 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [0,1,0,1,0,0|0,0,2]=4 7265 B10R1.57 COCCNCC1CCC1 2230a_100000209980_100000763275 [0,1,0,1,0,0|1,0,1]=4 7266 B10R1.57 COCCNCC1CCC1 2230a_100000738700_100011201679 [0,1,0,1,0,0|1,0,1]=4 7267 B10R1.57 COCCNCC1CCC1 269862a_100000209980_100000753134 [0,1,0,1,0,0|1,0,1]=4 7268 B10R1.57 COCCNCC1CCC1 34a_100000738700_100011201679 [0,1,0,1,0,0|1,0,1]=4 7269 B10R1.57 COCCOCC1CCC1 34a_100000210237_100000763275 [0,1,0,1,0,0|1,0,1]=4 7270 B10R1.57 COCCOCC1CCC1 34a_100000760304_100011201679 [0,1,0,1,0,0|1,0,1]=4 7271 B10R1.57 COCCSCC1CCC1 62a_100000233755_100000763275 [0,1,0,1,0,0|1,0,1]=4 7272 B10R1.57 COCCSCC1CCC1 62a_100000763275_100000233755 [0,1,0,1,0,0|1,0,1]=4 7273 B10R1.57 NOCCOCC1CCC1 34a_100000700252_100000763275 [0,1,0,1,0,0|1,0,1]=4 7274 B10R1.57 OCC#CCNC1CCC1 2230a_100000749019_200000047223 [0,1,0,1,0,0|0,0,2]=4 7275 B10R1.57 OCC#CCNC1CCC1 34a_100000749019_200000047223 [0,1,0,1,0,0|0,0,2]=4 7276 B10R1.57 OCC#CCOC1CCC1 34a_100000748187_200000047223 [0,1,0,1,0,0|0,0,2]=4 7277 B10R1.57 OCC#CCSC1CCC1 62a_200000047223_100000749161 [0,1,0,1,0,0|0,0,2]=4 7278 B10R1.57 OCCCCCN1CCC1 269982a_100000754969_100000746330 [0,1,0,1,0,0|0,0,2]=4 7279 B10R1.57 OCCCCNC1CCC1 2230a_100000749019_100000210776 [0,1,0,1,0,0|0,0,2]=4 7280 B10R1.57 OCCCCNC1CCC1 270004a_100000750430_100000241760 [0,1,0,1,0,0|0,0,2]=4 7281 B10R1.57 OCCCCNC1CCC1 34a_100000749019_100011216708 [0,1,0,1,0,0|0,0,2]=4 7282 B10R1.57 OCCCCNC1CCC1 34a_100000750430_100000749161 [0,1,0,1,0,0|0,0,2]=4 7283 B10R1.57 OCCCCOC1CCC1 34a_100000748187_100011216708 [0,1,0,1,0,0|0,0,2]=4 7284 B10R1.57 OCCCCSC1CCC1 62a_100000210776_100000749161 [0,1,0,1,0,0|0,0,2]=4 7285 B10R1.57 OCCCNCC1CCC1 2230a_100000738700_100000230001 [0,1,0,1,0,0|0,0,2]=4 7286 B10R1.57 OCCCNCC1CCC1 269862a_100000182051_100000753134 [0,1,0,1,0,0|0,0,2]=4 7287 B10R1.57 OCCCNCC1CCC1 34a_100000738700_100000230001 [0,1,0,1,0,0|0,0,2]=4 7288 B10R1.57 OCCCOCC1CCC1 34a_100000760304_100000230001 [0,1,0,1,0,0|0,0,2]=4 7289 B10R1.57 OCCCSCC1CCC1 62a_100000763275_100011215043 [0,1,0,1,0,0|0,0,2]=4 7290 B10R1.57 OCCCSCC1CCC1 62a_100011215043_100000763275 [0,1,0,1,0,0|0,0,2]=4 7291 B10R1.57 OCCOCCC1COC1 34a_100009855314_100000211926 [0,1,0,1,0,0|1,0,1]=4 7292 B10R1.57 OCCOCCN1CCC1 269982a_100000754969_100011215305 [0,1,0,1,0,0|1,0,1]=4 7293 B10R1.132 COCC1CCN1CCO 2230a_100015195929_100000211926 [0,1,0,1,0,0|1,0,1]=4 7294 B10R1.132 COCC1CCN1CCO 269982a_100015195929_100000211926 [0,1,0,1,0,0|1,0,1]=4 7295 B10R1.132 COCC1CCN1CCO 34a_100015195929_100000211926 [0,1,0,1,0,0|1,0,1]=4 7296 B10R1.161 CNC1CC/C=C\CCC1 34a_100102657272_100021000466 [0,1,0,1,0,0|1,0,0]=3 7297 B10R1.161 CNC1CC/C=C\CCC1 7a_106832991635_100021000466 [0,1,0,1,0,0|1,0,0]=3 7298 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [0,1,0,1,0,0|0,0,0]=2 7299 B10R1.161 COC1CC/C=C\CCC1 34a_100016989180_200000210301 [0,1,0,1,0,0|1,0,0]=3 7300 B10R1.161 COC1CC/C=C\CCC1 34a_100138415774_100021000466 [0,1,0,1,0,0|1,0,0]=3 7301 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [0,1,0,1,0,0|0,0,2]=4 7302 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [0,1,0,1,0,0|0,0,2]=4 7303 B10R1.161 CSC1CC/C=C\CCC1 62a_100021000466_200000210301 [0,1,0,1,0,0|1,0,0]=3 7304 B10R1.161 CSC1CC/C=C\CCC1 62a_200000210301_100021000466 [0,1,0,1,0,0|1,0,0]=3 7305 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [0,1,0,1,0,0|0,0,0]=2 7306 B10R1.161 [13CH3]OC1CC/C=C\CCC1 34a_100016989180_200025704644 [0,1,0,1,0,0|1,0,0]=3 7307 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [0,1,0,1,0,0|0,0,2]=4 7308 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [0,1,0,1,0,0|0,0,2]=4 7309 B10R1.161 [13CH3]SC1CC/C=C\CCC1 62a_100021000466_200025704644 [0,1,0,1,0,0|1,0,0]=3 7310 B10R1.161 [13CH3]SC1CC/C=C\CCC1 62a_200025704644_100021000466 [0,1,0,1,0,0|1,0,0]=3 7311 B10R1.1 CC1CCN(CC1)CCO 2230a_100000188429_100000211926 [0,1,0,1,0,0|1,0,1]=4 7312 B10R1.1 CC1CCN(CC1)CCO 269982a_100000188429_100000211926 [0,1,0,1,0,0|1,0,1]=4 7313 B10R1.1 CC1CCN(CC1)CCO 34a_100000188429_100000211926 [0,1,0,1,0,0|1,0,1]=4 7314 B10R1.1 CCCN1CC=C(CC1)C 2230a_100000693516_100000210303 [0,1,0,1,0,0|2,0,0]=4 7315 B10R1.1 CCCN1CC=C(CC1)C 269982a_100000693516_100000210303 [0,1,0,1,0,0|2,0,0]=4 7316 B10R1.1 CCCN1CC=C(CC1)C 34a_100000693516_100000210303 [0,1,0,1,0,0|2,0,0]=4 7317 B10R1.1 OCCN1CCC(CC1)F 2230a_100015193889_100000211926 [0,1,0,1,0,0|1,0,1]=4 7318 B10R1.1 OCCN1CCC(CC1)F 269982a_100015193889_100000211926 [0,1,0,1,0,0|1,0,1]=4 7319 B10R1.1 OCCN1CCC(CC1)F 34a_100015193889_100000211926 [0,1,0,1,0,0|1,0,1]=4 7320 B10R1.1 OCCN1CCC(CC1)O 2230a_100025773856_100000211926 [0,1,0,1,0,0|1,0,1]=4 7321 B10R1.1 OCCN1CCC(CC1)O 269982a_100025773856_100000211926 [0,1,0,1,0,0|1,0,1]=4 7322 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [0,1,0,1,0,0|1,0,1]=4 7323 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,1,0,1,0,0|1,0,1]=4 7324 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,1,0,1,0,0|1,0,1]=4 7325 B10R1.15 CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210202 [0,1,0,1,0,0|1,0,1]=4 7326 B10R1.15 CCC(C)N1CC=CCC1 2230a_100000698166_100000758301 [0,1,0,1,0,0|2,0,0]=4 7327 B10R1.15 CCC(C)N1CC=CCC1 269982a_100000698166_100000758301 [0,1,0,1,0,0|2,0,0]=4 7328 B10R1.15 CCC(C)N1CC=CCC1 34a_100000698166_100011215416 [0,1,0,1,0,0|2,0,0]=4 7329 B10R1.15 O=C(CF)C1=CCCCC1 1458a_100000765259_100015361967 [0,1,0,1,0,0|1,0,1]=4 7330 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,1,0,1,0,0|1,0,1]=4 7331 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,1,0,0|0,0,1]=3 7332 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [0,1,0,1,0,0|1,0,1]=4 7333 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [0,1,0,1,0,0|1,0,1]=4 7334 B10R1.15 O=C(CO)N1CCCOC1 240690a_100000131196_100000210174 [0,1,0,1,0,0|2,0,0]=4 7335 B10R1.15 O=C(CO)N1CCOCC1 240690a_100015191051_100000210174 [0,1,0,1,0,0|2,0,0]=4 7336 B10R1.15 O=C(CO)N1CCOCC1 527a_100015191051_100000210174 [0,1,0,1,0,0|2,0,0]=4 7337 B10R1.15 O=C(CO)N1CCSCC1 240690a_100000737611_100000210174 [0,1,0,1,0,0|2,0,0]=4 7338 B10R1.15 O=C(CO)N1CCSCC1 527a_100000737611_100000210174 [0,1,0,1,0,0|2,0,0]=4 7339 B10R1.27 CC(CO)NC1CCCC1 2230a_100000211070_100012180447 [0,1,0,1,0,0|1,0,1]=4 7340 B10R1.27 CC(CO)NC1CCCC1 34a_100000211070_100012180447 [0,1,0,1,0,0|1,0,1]=4 7341 B10R1.27 CC(CO)OC1CCCC1 34a_100000210269_100012180447 [0,1,0,1,0,0|1,0,1]=4 7342 B10R1.27 CC(CO)OC1CCCC1 7a_100000210269_100012180447 [0,1,0,1,0,0|1,0,1]=4 7343 B10R1.27 CC(CO)SC1CCCC1 62a_100012180447_100000179811 [0,1,0,1,0,0|1,0,1]=4 7344 B10R1.27 CCC(=O)C=C1CCCC1 1458a_100000743260_100000210202 [0,1,0,1,0,0|1,0,1]=4 7345 B10R1.27 CCC(=O)CC1C=CCC1 1458a_100000212241_100000210202 [0,1,0,1,0,0|1,0,1]=4 7346 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,1,0,1,0,0|1,0,1]=4 7347 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,1,0,1,0,0|1,0,1]=4 7348 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [0,1,0,1,0,0|2,0,0]=4 7349 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [0,1,0,1,0,0|2,0,0]=4 7350 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [0,1,0,1,0,0|2,0,0]=4 7351 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [0,1,0,1,0,0|2,0,0]=4 7352 B10R1.27 CNC(C)CC1C=CCC1 270004a_106832991635_100000116859 [0,1,0,1,0,0|2,0,0]=4 7353 B10R1.27 C[C@H](CO)NC1CCCC1 2230a_100000737577_100000179811 [0,1,0,1,0,0|1,0,1]=4 7354 B10R1.27 C[C@H](CO)NC1CCCC1 270004a_100000737577_100000210133 [0,1,0,1,0,0|1,0,1]=4 7355 B10R1.27 C[C@H](CO)SC1CCCC1 62a_100011217020_100016084084 [0,1,0,1,0,0|1,0,1]=4 7356 B10R1.27 C[C@H](CO)SC1CCCC1 62a_100016084084_100000179811 [0,1,0,1,0,0|1,0,1]=4 7357 B10R1.27 O=C(C=C1CCCC1)CF 1458a_100000743260_100015361967 [0,1,0,1,0,0|1,0,1]=4 7358 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [0,1,0,1,0,0|1,0,1]=4 7359 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [0,1,0,1,0,0|0,0,1]=3 7360 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [0,1,0,1,0,0|1,0,1]=4 7361 B10R1.27 O=C(CO)CC1CCOC1 1458a_100000210174_100000702531 [0,1,0,1,0,0|1,0,1]=4 7362 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [0,1,0,1,0,0|1,0,0]=3 7363 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [0,1,0,1,0,0|1,0,0]=3 7364 B10R1.27 O=C(CO)N[C@@H]1CCOC1 240690a_200015188469_100000210174 [0,1,0,1,0,0|2,0,0]=4 7365 B10R1.27 O=C(CO)N[C@@H]1CCOC1 527a_200015188469_100000210174 [0,1,0,1,0,0|2,0,0]=4 7366 B10R1.27 O=C(CO)N[C@H]1CCOC1 240690a_100015188467_100000210174 [0,1,0,1,0,0|2,0,0]=4 7367 B10R1.27 O=C(CO)N[C@H]1CCOC1 527a_100015188467_100000210174 [0,1,0,1,0,0|2,0,0]=4 7368 B10R1.70 CC/C=C\CNC1(CC1)C 2230a_100000757604_100103147603 [0,1,0,1,0,0|2,0,0]=4 7369 B10R1.70 CC/C=C\COC1(CC1)C 7a_100011725673_100103147603 [0,1,0,1,0,0|2,0,0]=4 7370 B10R1.149 CC(CO)N1CCC[C@@H]1C 2230a_100020605311_100012180447 [0,1,0,1,0,0|1,0,1]=4 7371 B10R1.149 CC(CO)N1CCC[C@H]1C 2230a_100015189458_100012180447 [0,1,0,1,0,0|1,0,1]=4 7372 B10R1.149 CC(CO)N1CCC[C@H]1C 34a_100015189458_100012180447 [0,1,0,1,0,0|1,0,1]=4 7373 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [0,1,0,1,0,0|1,0,1]=4 7374 B10R1.149 CC1SCCN1C(=O)CO 240690a_200011216479_100000210174 [0,1,0,1,0,0|2,0,0]=4 7375 B10R1.149 CC1SCCN1C(=O)CO 527a_200011216479_100000210174 [0,1,0,1,0,0|2,0,0]=4 7376 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [0,1,0,1,0,0|1,0,1]=4 7377 B10R1.149 CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210414 [0,1,0,1,0,0|2,0,0]=4 7378 B10R1.149 CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210414 [0,1,0,1,0,0|2,0,0]=4 7379 B10R1.149 CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210414 [0,1,0,1,0,0|2,0,0]=4 7380 B10R1.149 CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210414 [0,1,0,1,0,0|2,0,0]=4 7381 B10R1.149 CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210414 [0,1,0,1,0,0|2,0,0]=4 7382 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [0,1,0,1,0,0|1,0,0]=3 7383 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [0,1,0,1,0,0|1,0,0]=3 7384 B10R1.149 C[C@H](CO)N1CCC[C@@H]1C 269982a_100020605311_100016084084 [0,1,0,1,0,0|1,0,1]=4 7385 B10R1.149 C[C@H](CO)N1CCC[C@H]1C 269982a_100015189458_100016084084 [0,1,0,1,0,0|1,0,1]=4 7386 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [0,1,0,1,0,0|1,0,0]=3 7387 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [0,1,0,1,0,0|1,0,0]=3 7388 B10R1.151 CC(=NNC1CCC1)CO 4a_100000736358_100000211253 [0,1,0,1,0,0|2,0,0]=4 7389 B10R1.151 CC(CO)NCC1CCC1 2230a_100000738700_100012180447 [0,1,0,1,0,0|1,0,1]=4 7390 B10R1.151 CC(CO)NCC1CCC1 34a_100000738700_100012180447 [0,1,0,1,0,0|1,0,1]=4 7391 B10R1.151 CC(CO)OCC1CCC1 34a_100000760304_100012180447 [0,1,0,1,0,0|1,0,1]=4 7392 B10R1.151 CC(CO)SCC1CCC1 62a_100012180447_100000763275 [0,1,0,1,0,0|1,0,1]=4 7393 B10R1.151 CCC(=O)NCC1CCC1 11a_100000738700_100000210414 [0,1,0,1,0,0|2,0,0]=4 7394 B10R1.151 CCC(=O)NCC1CCC1 1626a_100000738700_100000210414 [0,1,0,1,0,0|2,0,0]=4 7395 B10R1.151 CCC(=O)NCC1CCC1 240690a_100000738700_100000210414 [0,1,0,1,0,0|2,0,0]=4 7396 B10R1.151 CCC(=O)NCC1CCC1 527a_100000738700_100000210414 [0,1,0,1,0,0|2,0,0]=4 7397 B10R1.151 C[C@H](CO)NCC1CCC1 2230a_100000737577_100000763275 [0,1,0,1,0,0|1,0,1]=4 7398 B10R1.151 C[C@H](CO)NCC1CCC1 269862a_100000737577_100000753134 [0,1,0,1,0,0|1,0,1]=4 7399 B10R1.151 C[C@H](CO)SCC1CCC1 62a_100000763275_100016084084 [0,1,0,1,0,0|1,0,1]=4 7400 B10R1.151 C[C@H](CO)SCC1CCC1 62a_100016084084_100000763275 [0,1,0,1,0,0|1,0,1]=4 7401 B10R1.151 O=C(CO)NCC1CCC1 240690a_100000738700_100000210174 [0,1,0,1,0,0|1,0,0]=3 7402 B10R1.151 O=C(CO)NCC1CCC1 527a_100000738700_100000210174 [0,1,0,1,0,0|1,0,0]=3 7403 B10R1.151 O=C(CO)NCC1COC1 240690a_100015281925_100000210174 [0,1,0,1,0,0|2,0,0]=4 7404 B10R1.151 O=C(CO)NCC1COC1 527a_100015281925_100000210174 [0,1,0,1,0,0|2,0,0]=4 7405 B10R1.151 O=C(CO)NC[C@@H]1CCO1 240690a_100020831831_100000210174 [0,1,0,1,0,0|2,0,0]=4 7406 B10R1.151 O=C(CO)NC[C@@H]1CCO1 527a_100020831831_100000210174 [0,1,0,1,0,0|2,0,0]=4 7407 B10R1.151 O=C(CO)NNC1CCC1 22a_100000736358_100000210174 [0,1,0,1,0,0|2,0,0]=4 7408 B10R1.153 CC(=NNCC1CC1)CO 4a_100000736359_100000211253 [0,1,0,1,0,0|2,0,0]=4 7409 B10R1.153 CC(CO)NCCC1CC1 34a_100000764129_100012180447 [0,1,0,1,0,0|1,0,1]=4 7410 B10R1.153 CC(CO)OCCC1CC1 34a_100000754188_100012180447 [0,1,0,1,0,0|1,0,1]=4 7411 B10R1.153 CC(CO)OCCC1CC1 7a_100000754188_100012180447 [0,1,0,1,0,0|1,0,1]=4 7412 B10R1.153 CC(CO)SCCC1CC1 62a_100012180447_100000764125 [0,1,0,1,0,0|1,0,1]=4 7413 B10R1.153 CCC(=O)NCCC1CC1 1626a_100000764129_100000210414 [0,1,0,1,0,0|2,0,0]=4 7414 B10R1.153 CCC(=O)NCCC1CC1 240690a_100000764129_100000210414 [0,1,0,1,0,0|2,0,0]=4 7415 B10R1.153 CCC(=O)NCCC1CC1 527a_100000764129_100000210414 [0,1,0,1,0,0|2,0,0]=4 7416 B10R1.153 C[C@H](CO)NCCC1CC1 2230a_100000737577_100000694398 [0,1,0,1,0,0|1,0,1]=4 7417 B10R1.153 C[C@H](CO)SCCC1CC1 62a_100000764125_100016084084 [0,1,0,1,0,0|1,0,1]=4 7418 B10R1.153 C[C@H](CO)SCCC1CC1 62a_100016084084_100000764125 [0,1,0,1,0,0|1,0,1]=4 7419 B10R1.153 O=C(CO)CCCC1CO1 1458a_100000210174_100000733510 [0,1,0,1,0,0|1,0,1]=4 7420 B10R1.153 O=C(CO)NCCC1CC1 240690a_100000764129_100000210174 [0,1,0,1,0,0|1,0,0]=3 7421 B10R1.153 O=C(CO)NCCC1CC1 527a_100000764129_100000210174 [0,1,0,1,0,0|1,0,0]=3 7422 B10R1.153 O=C(CO)NNCC1CC1 22a_100000736359_100000210174 [0,1,0,1,0,0|2,0,0]=4 7423 B10R1.206 CC(CO)OCC1CC1C 34a_100000744939_100012180447 [0,1,0,1,0,0|1,0,1]=4 7424 B10R1.206 CC(CO)OCC1CC1C 7a_100000744939_100012180447 [0,1,0,1,0,0|1,0,1]=4 7425 B10R2.6 C1=CCN(CC1)C2CC2 269982a_100000698166_100000211595 [0,0,0,2,0,0|2,0,0]=4 7426 B10R2.6 C1=CCN(CC1)C2CC2 34a_100000698166_100000211595 [0,0,0,2,0,0|2,0,0]=4 7427 B10R2.58 OCCN1CC2CC2C1 2230a_100000741873_100000211926 [0,0,0,2,0,0|1,0,1]=4 7428 B10R2.58 OCCN1CC2CC2C1 269982a_100000741873_100000211926 [0,0,0,2,0,0|1,0,1]=4 7429 B10R2.58 OCCN1CC2CC2C1 34a_100000741873_100000211926 [0,0,0,2,0,0|1,0,1]=4 7430 B10R2.99 CCN1CC2C=CC1C2 2230a_100000732668_100000210202 [0,0,0,2,0,0|2,0,0]=4 7431 B10R2.99 CCN1CC2C=CC1C2 269982a_100000732668_100000204670 [0,0,0,2,0,0|2,0,0]=4 7432 B10R2.99 CCN1CC2C=CC1C2 34a_100000732668_100000210202 [0,0,0,2,0,0|2,0,0]=4 7433 B10R2.99 COC1CC2C=CC1C2 34a_100000043678_200000210301 [0,0,0,2,0,0|2,0,0]=4 7434 B10R2.99 [13CH3]OC1CC2C=CC1C2 34a_100000043678_200025704644 [0,0,0,2,0,0|2,0,0]=4